USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1049 hydrogens (32 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 93 SER OG : rot 11:sc= 1.04 USER MOD Set 1.2: A 94 CYS SG : rot -116:sc= 1.26 USER MOD Set 1.3: A 127 CYS SG : rot -50:sc= 0.0426 USER MOD Set 2.1: A 113 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 2.2: A 119 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 108 MET CE :methyl -172:sc= -1.55 (180deg=-1.7) USER MOD Set 3.2: A 112 MET CE :methyl -150:sc= -0.0116 (180deg=-0.000857) USER MOD Set 4.1: A 37 HIS : no HE2:sc= 1.2 K(o=1.9,f=-3.4!) USER MOD Set 4.2: A 55 THR OG1 : rot 104:sc= 0.74 USER MOD Set 5.1: A 40 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 88 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.128 (180deg=-0.64) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0584) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0322 (180deg=-0.32) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= -0.0256 (180deg=-0.161) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-0.9) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.615) USER MOD Single : A 26 TYR OH : rot -166:sc= -0.81! USER MOD Single : A 27 SER OG : rot 40:sc= 0.046 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00973 X(o=-0.0097,f=-0.048) USER MOD Single : A 36 ASN : amide:sc= 1.18 K(o=1.2,f=0.19) USER MOD Single : A 45 ASN : amide:sc=-0.00476 K(o=-0.0048,f=-0.89) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 52:sc= 1.28 USER MOD Single : A 65 SER OG : rot 72:sc= 1.08 USER MOD Single : A 72 THR OG1 : rot -170:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.83 K(o=-1.8,f=-12!) USER MOD Single : A 80 TYR OH : rot -105:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= 0.196 K(o=0.2,f=-2.1!) USER MOD Single : A 97 MET CE :methyl 167:sc= -1.33 (180deg=-1.74) USER MOD Single : A 109 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 118 THR OG1 : rot 67:sc= 1.39 USER MOD Single : A 120 GLN : amide:sc= 0.172 K(o=0.17,f=-2!) USER MOD Single : A 121 GLN : amide:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : A 126 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.144) USER MOD Single : A 999 COA O2B : rot -128:sc= 0.224 USER MOD Single : A 999 COA OAP : rot -170:sc= -0.0341 USER MOD Single : A 999 COA S1P : rot 170:sc= -0.0338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 92.129 -17.476 2.505 1.00 0.00 N ATOM 2 CA MET A 1 93.319 -16.996 1.765 1.00 0.00 C ATOM 3 C MET A 1 94.151 -16.066 2.635 1.00 0.00 C ATOM 4 O MET A 1 93.668 -15.030 3.091 1.00 0.00 O ATOM 5 CB MET A 1 92.900 -16.256 0.488 1.00 0.00 C ATOM 6 CG MET A 1 92.204 -17.134 -0.539 1.00 0.00 C ATOM 7 SD MET A 1 93.254 -18.469 -1.149 1.00 0.00 S ATOM 8 CE MET A 1 94.587 -17.542 -1.909 1.00 0.00 C ATOM 0 H1 MET A 1 91.648 -18.211 1.949 1.00 0.00 H new ATOM 0 H2 MET A 1 92.426 -17.872 3.420 1.00 0.00 H new ATOM 0 H3 MET A 1 91.477 -16.682 2.667 1.00 0.00 H new ATOM 0 HA MET A 1 93.918 -17.866 1.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 92.236 -15.435 0.758 1.00 0.00 H new ATOM 0 HB3 MET A 1 93.785 -15.813 0.031 1.00 0.00 H new ATOM 0 HG2 MET A 1 91.304 -17.560 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 1 91.884 -16.518 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 95.147 -18.193 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.173 -16.707 -2.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.253 -17.161 -1.135 1.00 0.00 H new ATOM 20 N LYS A 2 95.393 -16.449 2.877 1.00 0.00 N ATOM 21 CA LYS A 2 96.322 -15.607 3.612 1.00 0.00 C ATOM 22 C LYS A 2 97.052 -14.677 2.652 1.00 0.00 C ATOM 23 O LYS A 2 97.499 -15.099 1.586 1.00 0.00 O ATOM 24 CB LYS A 2 97.326 -16.461 4.391 1.00 0.00 C ATOM 25 CG LYS A 2 96.689 -17.280 5.502 1.00 0.00 C ATOM 26 CD LYS A 2 97.720 -18.122 6.237 1.00 0.00 C ATOM 27 CE LYS A 2 97.105 -18.851 7.422 1.00 0.00 C ATOM 28 NZ LYS A 2 96.580 -17.907 8.443 1.00 0.00 N ATOM 0 H LYS A 2 95.783 -17.341 2.574 1.00 0.00 H new ATOM 0 HA LYS A 2 95.757 -15.008 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 2 97.833 -17.134 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 2 98.088 -15.811 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 2 96.193 -16.614 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 2 95.921 -17.929 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 2 98.156 -18.847 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 2 98.532 -17.483 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 2 96.297 -19.494 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 2 97.854 -19.499 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 96.437 -18.411 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 97.262 -17.134 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 95.674 -17.514 8.119 1.00 0.00 H new ATOM 42 N LEU A 3 97.156 -13.413 3.028 1.00 0.00 N ATOM 43 CA LEU A 3 97.786 -12.416 2.177 1.00 0.00 C ATOM 44 C LEU A 3 99.247 -12.233 2.563 1.00 0.00 C ATOM 45 O LEU A 3 99.568 -12.013 3.731 1.00 0.00 O ATOM 46 CB LEU A 3 97.039 -11.084 2.290 1.00 0.00 C ATOM 47 CG LEU A 3 97.545 -9.971 1.373 1.00 0.00 C ATOM 48 CD1 LEU A 3 97.392 -10.363 -0.089 1.00 0.00 C ATOM 49 CD2 LEU A 3 96.804 -8.677 1.664 1.00 0.00 C ATOM 0 H LEU A 3 96.812 -13.052 3.918 1.00 0.00 H new ATOM 0 HA LEU A 3 97.742 -12.761 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 3 95.985 -11.258 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 3 97.101 -10.738 3.322 1.00 0.00 H new ATOM 0 HG LEU A 3 98.606 -9.816 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 3 97.759 -9.555 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 3 97.967 -11.268 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 3 96.340 -10.547 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 3 97.172 -7.891 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.737 -8.823 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 3 96.970 -8.388 2.702 1.00 0.00 H new ATOM 61 N THR A 4 100.130 -12.336 1.585 1.00 0.00 N ATOM 62 CA THR A 4 101.549 -12.168 1.827 1.00 0.00 C ATOM 63 C THR A 4 101.952 -10.705 1.667 1.00 0.00 C ATOM 64 O THR A 4 102.194 -10.234 0.556 1.00 0.00 O ATOM 65 CB THR A 4 102.377 -13.042 0.866 1.00 0.00 C ATOM 66 OG1 THR A 4 101.843 -14.373 0.842 1.00 0.00 O ATOM 67 CG2 THR A 4 103.840 -13.090 1.290 1.00 0.00 C ATOM 0 H THR A 4 99.887 -12.536 0.615 1.00 0.00 H new ATOM 0 HA THR A 4 101.752 -12.483 2.851 1.00 0.00 H new ATOM 0 HB THR A 4 102.321 -12.601 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 4 102.371 -14.926 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 4 104.400 -13.714 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 4 104.253 -12.081 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 4 103.914 -13.509 2.293 1.00 0.00 H new ATOM 75 N ILE A 5 101.995 -9.980 2.772 1.00 0.00 N ATOM 76 CA ILE A 5 102.411 -8.588 2.740 1.00 0.00 C ATOM 77 C ILE A 5 103.830 -8.457 3.261 1.00 0.00 C ATOM 78 O ILE A 5 104.166 -8.971 4.328 1.00 0.00 O ATOM 79 CB ILE A 5 101.483 -7.636 3.543 1.00 0.00 C ATOM 80 CG1 ILE A 5 101.314 -8.092 5.000 1.00 0.00 C ATOM 81 CG2 ILE A 5 100.132 -7.507 2.860 1.00 0.00 C ATOM 82 CD1 ILE A 5 100.212 -9.113 5.209 1.00 0.00 C ATOM 0 H ILE A 5 101.748 -10.330 3.698 1.00 0.00 H new ATOM 0 HA ILE A 5 102.350 -8.282 1.696 1.00 0.00 H new ATOM 0 HB ILE A 5 101.960 -6.656 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 5 102.256 -8.515 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 5 101.108 -7.220 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 5 99.495 -6.836 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 5 100.269 -7.104 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 5 99.662 -8.488 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 5 100.160 -9.381 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 5 99.258 -8.689 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 5 100.425 -10.004 4.618 1.00 0.00 H new ATOM 94 N ILE A 6 104.662 -7.785 2.493 1.00 0.00 N ATOM 95 CA ILE A 6 106.047 -7.583 2.868 1.00 0.00 C ATOM 96 C ILE A 6 106.409 -6.114 2.736 1.00 0.00 C ATOM 97 O ILE A 6 105.808 -5.387 1.941 1.00 0.00 O ATOM 98 CB ILE A 6 107.038 -8.431 2.023 1.00 0.00 C ATOM 99 CG1 ILE A 6 106.905 -8.143 0.514 1.00 0.00 C ATOM 100 CG2 ILE A 6 106.853 -9.917 2.309 1.00 0.00 C ATOM 101 CD1 ILE A 6 105.719 -8.806 -0.163 1.00 0.00 C ATOM 0 H ILE A 6 104.402 -7.367 1.600 1.00 0.00 H new ATOM 0 HA ILE A 6 106.140 -7.911 3.903 1.00 0.00 H new ATOM 0 HB ILE A 6 108.047 -8.142 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 6 106.831 -7.065 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 6 107.818 -8.469 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 6 107.556 -10.494 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 6 107.037 -10.110 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 6 105.834 -10.212 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 6 105.711 -8.544 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 6 105.798 -9.888 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 6 104.795 -8.463 0.303 1.00 0.00 H new ATOM 113 N ARG A 7 107.365 -5.671 3.534 1.00 0.00 N ATOM 114 CA ARG A 7 107.844 -4.305 3.440 1.00 0.00 C ATOM 115 C ARG A 7 108.733 -4.152 2.216 1.00 0.00 C ATOM 116 O ARG A 7 109.638 -4.956 1.988 1.00 0.00 O ATOM 117 CB ARG A 7 108.591 -3.886 4.715 1.00 0.00 C ATOM 118 CG ARG A 7 109.515 -4.955 5.281 1.00 0.00 C ATOM 119 CD ARG A 7 110.270 -4.450 6.502 1.00 0.00 C ATOM 120 NE ARG A 7 110.717 -5.545 7.368 1.00 0.00 N ATOM 121 CZ ARG A 7 111.863 -5.545 8.052 1.00 0.00 C ATOM 122 NH1 ARG A 7 112.745 -4.568 7.892 1.00 0.00 N ATOM 123 NH2 ARG A 7 112.139 -6.541 8.884 1.00 0.00 N ATOM 0 H ARG A 7 107.822 -6.235 4.251 1.00 0.00 H new ATOM 0 HA ARG A 7 106.983 -3.645 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 7 109.177 -2.992 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 7 107.861 -3.614 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 7 108.932 -5.836 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 7 110.226 -5.266 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 7 111.134 -3.869 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 7 109.629 -3.777 7.071 1.00 0.00 H new ATOM 0 HE ARG A 7 110.112 -6.362 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 7 112.551 -3.807 7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 7 113.618 -4.577 8.420 1.00 0.00 H new ATOM 0 HH21 ARG A 7 111.475 -7.307 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 7 113.015 -6.541 9.407 1.00 0.00 H new ATOM 137 N LEU A 8 108.452 -3.130 1.418 1.00 0.00 N ATOM 138 CA LEU A 8 109.224 -2.860 0.213 1.00 0.00 C ATOM 139 C LEU A 8 110.566 -2.227 0.578 1.00 0.00 C ATOM 140 O LEU A 8 110.883 -1.111 0.173 1.00 0.00 O ATOM 141 CB LEU A 8 108.433 -1.943 -0.726 1.00 0.00 C ATOM 142 CG LEU A 8 109.058 -1.718 -2.106 1.00 0.00 C ATOM 143 CD1 LEU A 8 109.153 -3.028 -2.874 1.00 0.00 C ATOM 144 CD2 LEU A 8 108.249 -0.694 -2.886 1.00 0.00 C ATOM 0 H LEU A 8 107.691 -2.472 1.585 1.00 0.00 H new ATOM 0 HA LEU A 8 109.415 -3.801 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 107.436 -2.363 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 8 108.308 -0.975 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 8 110.069 -1.333 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 8 109.600 -2.845 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 8 109.772 -3.732 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.155 -3.447 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 8 108.702 -0.542 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 8 107.228 -1.055 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 8 108.236 0.250 -2.342 1.00 0.00 H new ATOM 156 N GLU A 9 111.342 -2.953 1.366 1.00 0.00 N ATOM 157 CA GLU A 9 112.644 -2.489 1.803 1.00 0.00 C ATOM 158 C GLU A 9 113.708 -2.962 0.822 1.00 0.00 C ATOM 159 O GLU A 9 114.846 -2.489 0.824 1.00 0.00 O ATOM 160 CB GLU A 9 112.924 -3.021 3.208 1.00 0.00 C ATOM 161 CG GLU A 9 114.006 -2.265 3.953 1.00 0.00 C ATOM 162 CD GLU A 9 114.165 -2.751 5.375 1.00 0.00 C ATOM 163 OE1 GLU A 9 113.187 -2.673 6.145 1.00 0.00 O ATOM 164 OE2 GLU A 9 115.269 -3.224 5.727 1.00 0.00 O ATOM 0 H GLU A 9 111.087 -3.876 1.718 1.00 0.00 H new ATOM 0 HA GLU A 9 112.662 -1.400 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 112.003 -2.982 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.212 -4.070 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 9 114.953 -2.375 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 9 113.766 -1.202 3.959 1.00 0.00 H new ATOM 171 N LYS A 10 113.312 -3.902 -0.024 1.00 0.00 N ATOM 172 CA LYS A 10 114.188 -4.431 -1.051 1.00 0.00 C ATOM 173 C LYS A 10 113.674 -4.030 -2.424 1.00 0.00 C ATOM 174 O LYS A 10 112.657 -4.547 -2.891 1.00 0.00 O ATOM 175 CB LYS A 10 114.273 -5.954 -0.955 1.00 0.00 C ATOM 176 CG LYS A 10 114.876 -6.454 0.348 1.00 0.00 C ATOM 177 CD LYS A 10 114.894 -7.974 0.405 1.00 0.00 C ATOM 178 CE LYS A 10 115.696 -8.572 -0.743 1.00 0.00 C ATOM 179 NZ LYS A 10 117.108 -8.104 -0.745 1.00 0.00 N ATOM 0 H LYS A 10 112.380 -4.315 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 10 115.185 -4.017 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 113.272 -6.372 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 10 114.869 -6.329 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 10 115.892 -6.073 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 114.303 -6.064 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 10 115.321 -8.297 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 10 113.872 -8.351 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 115.675 -9.659 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 115.226 -8.307 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 117.653 -8.648 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 117.139 -7.094 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 117.521 -8.242 0.199 1.00 0.00 H new ATOM 193 N PHE A 11 114.365 -3.101 -3.058 1.00 0.00 N ATOM 194 CA PHE A 11 113.964 -2.637 -4.375 1.00 0.00 C ATOM 195 C PHE A 11 114.586 -3.493 -5.463 1.00 0.00 C ATOM 196 O PHE A 11 115.627 -3.156 -6.024 1.00 0.00 O ATOM 197 CB PHE A 11 114.333 -1.166 -4.578 1.00 0.00 C ATOM 198 CG PHE A 11 113.363 -0.223 -3.933 1.00 0.00 C ATOM 199 CD1 PHE A 11 113.484 0.116 -2.597 1.00 0.00 C ATOM 200 CD2 PHE A 11 112.324 0.321 -4.669 1.00 0.00 C ATOM 201 CE1 PHE A 11 112.585 0.979 -2.006 1.00 0.00 C ATOM 202 CE2 PHE A 11 111.422 1.187 -4.084 1.00 0.00 C ATOM 203 CZ PHE A 11 111.553 1.517 -2.751 1.00 0.00 C ATOM 0 H PHE A 11 115.203 -2.654 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 11 112.880 -2.728 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 11 115.329 -0.988 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 11 114.382 -0.954 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 11 114.291 -0.299 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 11 112.218 0.065 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 11 112.688 1.234 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 11 110.616 1.605 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 11 110.850 2.195 -2.290 1.00 0.00 H new ATOM 213 N SER A 12 113.946 -4.614 -5.734 1.00 0.00 N ATOM 214 CA SER A 12 114.371 -5.495 -6.802 1.00 0.00 C ATOM 215 C SER A 12 113.755 -5.029 -8.114 1.00 0.00 C ATOM 216 O SER A 12 112.675 -4.436 -8.116 1.00 0.00 O ATOM 217 CB SER A 12 113.934 -6.928 -6.492 1.00 0.00 C ATOM 218 OG SER A 12 114.282 -7.292 -5.165 1.00 0.00 O ATOM 0 H SER A 12 113.124 -4.937 -5.224 1.00 0.00 H new ATOM 0 HA SER A 12 115.457 -5.470 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 12 112.856 -7.020 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.403 -7.615 -7.196 1.00 0.00 H new ATOM 0 HG SER A 12 113.991 -8.211 -4.991 1.00 0.00 H new ATOM 224 N ASP A 13 114.439 -5.279 -9.224 1.00 0.00 N ATOM 225 CA ASP A 13 113.904 -4.943 -10.542 1.00 0.00 C ATOM 226 C ASP A 13 112.568 -5.634 -10.759 1.00 0.00 C ATOM 227 O ASP A 13 111.662 -5.069 -11.368 1.00 0.00 O ATOM 228 CB ASP A 13 114.887 -5.331 -11.648 1.00 0.00 C ATOM 229 CG ASP A 13 115.979 -4.299 -11.834 1.00 0.00 C ATOM 230 OD1 ASP A 13 116.542 -3.840 -10.822 1.00 0.00 O ATOM 231 OD2 ASP A 13 116.255 -3.920 -12.993 1.00 0.00 O ATOM 0 H ASP A 13 115.362 -5.712 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 13 113.755 -3.864 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 13 115.337 -6.294 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 13 114.345 -5.456 -12.585 1.00 0.00 H new ATOM 236 N GLN A 14 112.456 -6.848 -10.233 1.00 0.00 N ATOM 237 CA GLN A 14 111.207 -7.599 -10.270 1.00 0.00 C ATOM 238 C GLN A 14 110.058 -6.755 -9.721 1.00 0.00 C ATOM 239 O GLN A 14 109.054 -6.529 -10.402 1.00 0.00 O ATOM 240 CB GLN A 14 111.342 -8.881 -9.444 1.00 0.00 C ATOM 241 CG GLN A 14 110.107 -9.767 -9.478 1.00 0.00 C ATOM 242 CD GLN A 14 110.184 -10.915 -8.490 1.00 0.00 C ATOM 243 OE1 GLN A 14 110.789 -10.796 -7.424 1.00 0.00 O ATOM 244 NE2 GLN A 14 109.581 -12.037 -8.842 1.00 0.00 N ATOM 0 H GLN A 14 113.223 -7.337 -9.772 1.00 0.00 H new ATOM 0 HA GLN A 14 110.991 -7.857 -11.307 1.00 0.00 H new ATOM 0 HB2 GLN A 14 112.196 -9.450 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 14 111.558 -8.614 -8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 14 109.226 -9.164 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 14 109.979 -10.167 -10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 14 109.090 -12.094 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 14 109.606 -12.846 -8.221 1.00 0.00 H new ATOM 253 N ASP A 15 110.233 -6.273 -8.495 1.00 0.00 N ATOM 254 CA ASP A 15 109.206 -5.489 -7.814 1.00 0.00 C ATOM 255 C ASP A 15 109.015 -4.132 -8.478 1.00 0.00 C ATOM 256 O ASP A 15 107.891 -3.672 -8.642 1.00 0.00 O ATOM 257 CB ASP A 15 109.567 -5.284 -6.340 1.00 0.00 C ATOM 258 CG ASP A 15 109.607 -6.579 -5.556 1.00 0.00 C ATOM 259 OD1 ASP A 15 108.536 -7.063 -5.138 1.00 0.00 O ATOM 260 OD2 ASP A 15 110.721 -7.113 -5.341 1.00 0.00 O ATOM 0 H ASP A 15 111.083 -6.412 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 15 108.273 -6.049 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 15 110.539 -4.795 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 15 108.841 -4.611 -5.884 1.00 0.00 H new ATOM 265 N ARG A 16 110.118 -3.497 -8.866 1.00 0.00 N ATOM 266 CA ARG A 16 110.062 -2.154 -9.442 1.00 0.00 C ATOM 267 C ARG A 16 109.241 -2.125 -10.732 1.00 0.00 C ATOM 268 O ARG A 16 108.480 -1.185 -10.965 1.00 0.00 O ATOM 269 CB ARG A 16 111.473 -1.598 -9.684 1.00 0.00 C ATOM 270 CG ARG A 16 112.227 -1.302 -8.395 1.00 0.00 C ATOM 271 CD ARG A 16 113.462 -0.440 -8.630 1.00 0.00 C ATOM 272 NE ARG A 16 114.543 -1.155 -9.311 1.00 0.00 N ATOM 273 CZ ARG A 16 115.659 -0.564 -9.746 1.00 0.00 C ATOM 274 NH1 ARG A 16 115.829 0.744 -9.578 1.00 0.00 N ATOM 275 NH2 ARG A 16 116.610 -1.276 -10.339 1.00 0.00 N ATOM 0 H ARG A 16 111.058 -3.887 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 16 109.560 -1.513 -8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 16 112.043 -2.315 -10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 16 111.401 -0.684 -10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 16 111.561 -0.796 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 16 112.526 -2.241 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 16 113.182 0.431 -9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 16 113.827 -0.070 -7.672 1.00 0.00 H new ATOM 0 HE ARG A 16 114.438 -2.158 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 16 115.107 1.297 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 16 116.682 1.194 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 16 116.491 -2.281 -10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 16 117.460 -0.818 -10.669 1.00 0.00 H new ATOM 289 N ILE A 17 109.376 -3.157 -11.554 1.00 0.00 N ATOM 290 CA ILE A 17 108.596 -3.247 -12.784 1.00 0.00 C ATOM 291 C ILE A 17 107.124 -3.512 -12.463 1.00 0.00 C ATOM 292 O ILE A 17 106.227 -2.908 -13.056 1.00 0.00 O ATOM 293 CB ILE A 17 109.132 -4.354 -13.723 1.00 0.00 C ATOM 294 CG1 ILE A 17 110.583 -4.060 -14.119 1.00 0.00 C ATOM 295 CG2 ILE A 17 108.257 -4.475 -14.966 1.00 0.00 C ATOM 296 CD1 ILE A 17 111.220 -5.146 -14.962 1.00 0.00 C ATOM 0 H ILE A 17 110.012 -3.938 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 17 108.690 -2.291 -13.299 1.00 0.00 H new ATOM 0 HB ILE A 17 109.101 -5.303 -13.188 1.00 0.00 H new ATOM 0 HG12 ILE A 17 110.616 -3.120 -14.669 1.00 0.00 H new ATOM 0 HG13 ILE A 17 111.175 -3.921 -13.215 1.00 0.00 H new ATOM 0 HG21 ILE A 17 108.651 -5.259 -15.613 1.00 0.00 H new ATOM 0 HG22 ILE A 17 107.238 -4.726 -14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 17 108.256 -3.527 -15.504 1.00 0.00 H new ATOM 0 HD11 ILE A 17 112.246 -4.866 -15.202 1.00 0.00 H new ATOM 0 HD12 ILE A 17 111.221 -6.084 -14.407 1.00 0.00 H new ATOM 0 HD13 ILE A 17 110.653 -5.271 -15.884 1.00 0.00 H new ATOM 308 N ASP A 18 106.884 -4.392 -11.498 1.00 0.00 N ATOM 309 CA ASP A 18 105.521 -4.730 -11.093 1.00 0.00 C ATOM 310 C ASP A 18 104.831 -3.503 -10.493 1.00 0.00 C ATOM 311 O ASP A 18 103.632 -3.296 -10.681 1.00 0.00 O ATOM 312 CB ASP A 18 105.533 -5.894 -10.094 1.00 0.00 C ATOM 313 CG ASP A 18 104.151 -6.470 -9.843 1.00 0.00 C ATOM 314 OD1 ASP A 18 103.454 -6.814 -10.825 1.00 0.00 O ATOM 315 OD2 ASP A 18 103.754 -6.590 -8.667 1.00 0.00 O ATOM 0 H ASP A 18 107.612 -4.885 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 18 104.959 -5.045 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 18 106.187 -6.681 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 18 105.956 -5.551 -9.149 1.00 0.00 H new ATOM 320 N LEU A 19 105.609 -2.675 -9.797 1.00 0.00 N ATOM 321 CA LEU A 19 105.113 -1.405 -9.271 1.00 0.00 C ATOM 322 C LEU A 19 104.677 -0.482 -10.404 1.00 0.00 C ATOM 323 O LEU A 19 103.666 0.212 -10.296 1.00 0.00 O ATOM 324 CB LEU A 19 106.181 -0.706 -8.425 1.00 0.00 C ATOM 325 CG LEU A 19 106.516 -1.379 -7.093 1.00 0.00 C ATOM 326 CD1 LEU A 19 107.598 -0.598 -6.362 1.00 0.00 C ATOM 327 CD2 LEU A 19 105.270 -1.501 -6.230 1.00 0.00 C ATOM 0 H LEU A 19 106.589 -2.862 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 19 104.252 -1.626 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 19 107.095 -0.633 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 19 105.850 0.313 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 19 106.892 -2.382 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 19 107.825 -1.089 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 19 108.497 -0.560 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 107.247 0.416 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 19 105.527 -1.982 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 104.865 -0.508 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 104.524 -2.100 -6.751 1.00 0.00 H new ATOM 339 N GLN A 20 105.437 -0.481 -11.495 1.00 0.00 N ATOM 340 CA GLN A 20 105.097 0.336 -12.656 1.00 0.00 C ATOM 341 C GLN A 20 103.935 -0.274 -13.432 1.00 0.00 C ATOM 342 O GLN A 20 103.387 0.344 -14.341 1.00 0.00 O ATOM 343 CB GLN A 20 106.308 0.527 -13.572 1.00 0.00 C ATOM 344 CG GLN A 20 107.359 1.463 -12.996 1.00 0.00 C ATOM 345 CD GLN A 20 108.471 1.771 -13.981 1.00 0.00 C ATOM 346 OE1 GLN A 20 108.827 0.943 -14.817 1.00 0.00 O ATOM 347 NE2 GLN A 20 109.020 2.975 -13.897 1.00 0.00 N ATOM 0 H GLN A 20 106.288 -1.033 -11.600 1.00 0.00 H new ATOM 0 HA GLN A 20 104.790 1.316 -12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 20 106.764 -0.444 -13.766 1.00 0.00 H new ATOM 0 HB3 GLN A 20 105.970 0.918 -14.532 1.00 0.00 H new ATOM 0 HG2 GLN A 20 106.882 2.394 -12.690 1.00 0.00 H new ATOM 0 HG3 GLN A 20 107.787 1.014 -12.100 1.00 0.00 H new ATOM 0 HE21 GLN A 20 108.697 3.635 -13.189 1.00 0.00 H new ATOM 0 HE22 GLN A 20 109.765 3.242 -14.540 1.00 0.00 H new ATOM 356 N LYS A 21 103.573 -1.500 -13.087 1.00 0.00 N ATOM 357 CA LYS A 21 102.359 -2.102 -13.615 1.00 0.00 C ATOM 358 C LYS A 21 101.160 -1.718 -12.751 1.00 0.00 C ATOM 359 O LYS A 21 100.017 -1.740 -13.213 1.00 0.00 O ATOM 360 CB LYS A 21 102.504 -3.621 -13.712 1.00 0.00 C ATOM 361 CG LYS A 21 103.456 -4.057 -14.814 1.00 0.00 C ATOM 362 CD LYS A 21 103.555 -5.569 -14.912 1.00 0.00 C ATOM 363 CE LYS A 21 104.289 -5.994 -16.174 1.00 0.00 C ATOM 364 NZ LYS A 21 103.581 -5.543 -17.404 1.00 0.00 N ATOM 0 H LYS A 21 104.099 -2.095 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 21 102.191 -1.720 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.860 -4.008 -12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 101.524 -4.064 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 21 103.117 -3.653 -15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 21 104.445 -3.640 -14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 104.075 -5.959 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.555 -6.002 -14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 21 105.298 -5.582 -16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 21 104.388 -7.079 -16.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 103.871 -6.135 -18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 102.554 -5.627 -17.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 103.823 -4.551 -17.600 1.00 0.00 H new ATOM 378 N ILE A 22 101.428 -1.359 -11.499 1.00 0.00 N ATOM 379 CA ILE A 22 100.396 -0.843 -10.604 1.00 0.00 C ATOM 380 C ILE A 22 100.132 0.628 -10.920 1.00 0.00 C ATOM 381 O ILE A 22 98.983 1.065 -11.016 1.00 0.00 O ATOM 382 CB ILE A 22 100.806 -0.979 -9.119 1.00 0.00 C ATOM 383 CG1 ILE A 22 101.122 -2.439 -8.784 1.00 0.00 C ATOM 384 CG2 ILE A 22 99.703 -0.449 -8.209 1.00 0.00 C ATOM 385 CD1 ILE A 22 101.607 -2.649 -7.366 1.00 0.00 C ATOM 0 H ILE A 22 102.356 -1.416 -11.079 1.00 0.00 H new ATOM 0 HA ILE A 22 99.493 -1.433 -10.763 1.00 0.00 H new ATOM 0 HB ILE A 22 101.704 -0.384 -8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 22 100.228 -3.041 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 22 101.881 -2.805 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 22 100.009 -0.553 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 22 99.522 0.603 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 22 98.788 -1.018 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 22 101.810 -3.708 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 102.520 -2.076 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 22 100.841 -2.315 -6.666 1.00 0.00 H new ATOM 397 N TRP A 23 101.211 1.382 -11.078 1.00 0.00 N ATOM 398 CA TRP A 23 101.126 2.773 -11.495 1.00 0.00 C ATOM 399 C TRP A 23 101.609 2.900 -12.935 1.00 0.00 C ATOM 400 O TRP A 23 102.808 2.790 -13.189 1.00 0.00 O ATOM 401 CB TRP A 23 101.970 3.670 -10.586 1.00 0.00 C ATOM 402 CG TRP A 23 101.574 3.620 -9.142 1.00 0.00 C ATOM 403 CD1 TRP A 23 100.407 4.068 -8.594 1.00 0.00 C ATOM 404 CD2 TRP A 23 102.358 3.110 -8.057 1.00 0.00 C ATOM 405 NE1 TRP A 23 100.413 3.858 -7.237 1.00 0.00 N ATOM 406 CE2 TRP A 23 101.599 3.272 -6.883 1.00 0.00 C ATOM 407 CE3 TRP A 23 103.624 2.525 -7.965 1.00 0.00 C ATOM 408 CZ2 TRP A 23 102.065 2.874 -5.634 1.00 0.00 C ATOM 409 CZ3 TRP A 23 104.088 2.133 -6.723 1.00 0.00 C ATOM 410 CH2 TRP A 23 103.309 2.308 -5.572 1.00 0.00 C ATOM 0 H TRP A 23 102.163 1.049 -10.922 1.00 0.00 H new ATOM 0 HA TRP A 23 100.087 3.095 -11.423 1.00 0.00 H new ATOM 0 HB2 TRP A 23 103.016 3.378 -10.675 1.00 0.00 H new ATOM 0 HB3 TRP A 23 101.895 4.699 -10.937 1.00 0.00 H new ATOM 0 HD1 TRP A 23 99.597 4.521 -9.147 1.00 0.00 H new ATOM 0 HE1 TRP A 23 99.657 4.099 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 23 104.229 2.382 -8.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 101.466 3.007 -4.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 105.067 1.685 -6.639 1.00 0.00 H new ATOM 0 HH2 TRP A 23 103.698 1.990 -4.616 1.00 0.00 H new ATOM 421 N PRO A 24 100.673 3.142 -13.880 1.00 0.00 N ATOM 422 CA PRO A 24 100.933 3.142 -15.330 1.00 0.00 C ATOM 423 C PRO A 24 102.301 3.700 -15.721 1.00 0.00 C ATOM 424 O PRO A 24 103.082 3.031 -16.399 1.00 0.00 O ATOM 425 CB PRO A 24 99.815 4.032 -15.860 1.00 0.00 C ATOM 426 CG PRO A 24 98.667 3.762 -14.950 1.00 0.00 C ATOM 427 CD PRO A 24 99.258 3.451 -13.595 1.00 0.00 C ATOM 0 HA PRO A 24 100.949 2.130 -15.736 1.00 0.00 H new ATOM 0 HB2 PRO A 24 100.100 5.084 -15.839 1.00 0.00 H new ATOM 0 HB3 PRO A 24 99.569 3.789 -16.894 1.00 0.00 H new ATOM 0 HG2 PRO A 24 98.004 4.625 -14.895 1.00 0.00 H new ATOM 0 HG3 PRO A 24 98.071 2.925 -15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 24 99.164 4.298 -12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 98.753 2.607 -13.124 1.00 0.00 H new ATOM 435 N GLU A 25 102.585 4.925 -15.307 1.00 0.00 N ATOM 436 CA GLU A 25 103.899 5.502 -15.520 1.00 0.00 C ATOM 437 C GLU A 25 104.258 6.410 -14.354 1.00 0.00 C ATOM 438 O GLU A 25 103.986 7.611 -14.367 1.00 0.00 O ATOM 439 CB GLU A 25 103.963 6.259 -16.845 1.00 0.00 C ATOM 440 CG GLU A 25 105.367 6.709 -17.209 1.00 0.00 C ATOM 441 CD GLU A 25 105.448 7.278 -18.603 1.00 0.00 C ATOM 442 OE1 GLU A 25 105.255 8.502 -18.760 1.00 0.00 O ATOM 443 OE2 GLU A 25 105.706 6.502 -19.546 1.00 0.00 O ATOM 0 H GLU A 25 101.925 5.535 -14.824 1.00 0.00 H new ATOM 0 HA GLU A 25 104.629 4.694 -15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.575 5.621 -17.640 1.00 0.00 H new ATOM 0 HB3 GLU A 25 103.312 7.131 -16.790 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.701 7.460 -16.493 1.00 0.00 H new ATOM 0 HG3 GLU A 25 106.049 5.863 -17.125 1.00 0.00 H new ATOM 450 N TYR A 26 104.842 5.807 -13.336 1.00 0.00 N ATOM 451 CA TYR A 26 105.177 6.501 -12.105 1.00 0.00 C ATOM 452 C TYR A 26 106.657 6.883 -12.071 1.00 0.00 C ATOM 453 O TYR A 26 107.520 6.092 -12.457 1.00 0.00 O ATOM 454 CB TYR A 26 104.823 5.597 -10.921 1.00 0.00 C ATOM 455 CG TYR A 26 105.297 6.101 -9.581 1.00 0.00 C ATOM 456 CD1 TYR A 26 104.655 7.151 -8.937 1.00 0.00 C ATOM 457 CD2 TYR A 26 106.383 5.511 -8.952 1.00 0.00 C ATOM 458 CE1 TYR A 26 105.091 7.600 -7.704 1.00 0.00 C ATOM 459 CE2 TYR A 26 106.822 5.954 -7.726 1.00 0.00 C ATOM 460 CZ TYR A 26 106.174 6.996 -7.106 1.00 0.00 C ATOM 461 OH TYR A 26 106.614 7.432 -5.878 1.00 0.00 O ATOM 0 H TYR A 26 105.098 4.820 -13.338 1.00 0.00 H new ATOM 0 HA TYR A 26 104.605 7.427 -12.046 1.00 0.00 H new ATOM 0 HB2 TYR A 26 103.741 5.474 -10.886 1.00 0.00 H new ATOM 0 HB3 TYR A 26 105.250 4.609 -11.095 1.00 0.00 H new ATOM 0 HD1 TYR A 26 103.804 7.623 -9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 26 106.893 4.689 -9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 26 104.586 8.419 -7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 26 107.672 5.485 -7.253 1.00 0.00 H new ATOM 0 HH TYR A 26 107.504 7.062 -5.699 1.00 0.00 H new ATOM 471 N SER A 27 106.933 8.098 -11.614 1.00 0.00 N ATOM 472 CA SER A 27 108.297 8.594 -11.505 1.00 0.00 C ATOM 473 C SER A 27 109.022 7.945 -10.322 1.00 0.00 C ATOM 474 O SER A 27 108.584 8.044 -9.174 1.00 0.00 O ATOM 475 CB SER A 27 108.274 10.120 -11.362 1.00 0.00 C ATOM 476 OG SER A 27 107.273 10.528 -10.443 1.00 0.00 O ATOM 0 H SER A 27 106.222 8.763 -11.310 1.00 0.00 H new ATOM 0 HA SER A 27 108.845 8.330 -12.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 109.249 10.472 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 27 108.089 10.577 -12.334 1.00 0.00 H new ATOM 0 HG SER A 27 107.259 9.913 -9.680 1.00 0.00 H new ATOM 482 N PRO A 28 110.156 7.275 -10.589 1.00 0.00 N ATOM 483 CA PRO A 28 110.907 6.542 -9.563 1.00 0.00 C ATOM 484 C PRO A 28 111.640 7.460 -8.586 1.00 0.00 C ATOM 485 O PRO A 28 112.245 6.995 -7.616 1.00 0.00 O ATOM 486 CB PRO A 28 111.911 5.725 -10.378 1.00 0.00 C ATOM 487 CG PRO A 28 112.111 6.509 -11.629 1.00 0.00 C ATOM 488 CD PRO A 28 110.794 7.175 -11.917 1.00 0.00 C ATOM 0 HA PRO A 28 110.246 5.943 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 28 112.849 5.597 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 28 111.528 4.727 -10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 28 112.903 7.248 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 28 112.408 5.860 -12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 28 110.932 8.157 -12.370 1.00 0.00 H new ATOM 0 HD3 PRO A 28 110.190 6.587 -12.608 1.00 0.00 H new ATOM 496 N SER A 29 111.576 8.761 -8.843 1.00 0.00 N ATOM 497 CA SER A 29 112.242 9.750 -8.006 1.00 0.00 C ATOM 498 C SER A 29 111.647 9.783 -6.600 1.00 0.00 C ATOM 499 O SER A 29 112.344 10.061 -5.627 1.00 0.00 O ATOM 500 CB SER A 29 112.124 11.127 -8.655 1.00 0.00 C ATOM 501 OG SER A 29 112.506 11.070 -10.020 1.00 0.00 O ATOM 0 H SER A 29 111.065 9.157 -9.632 1.00 0.00 H new ATOM 0 HA SER A 29 113.292 9.472 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 29 111.098 11.487 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 29 112.755 11.840 -8.125 1.00 0.00 H new ATOM 0 HG SER A 29 112.423 11.961 -10.420 1.00 0.00 H new ATOM 507 N SER A 30 110.359 9.482 -6.497 1.00 0.00 N ATOM 508 CA SER A 30 109.663 9.543 -5.218 1.00 0.00 C ATOM 509 C SER A 30 109.650 8.180 -4.519 1.00 0.00 C ATOM 510 O SER A 30 109.016 8.008 -3.479 1.00 0.00 O ATOM 511 CB SER A 30 108.241 10.053 -5.436 1.00 0.00 C ATOM 512 OG SER A 30 108.251 11.246 -6.202 1.00 0.00 O ATOM 0 H SER A 30 109.776 9.194 -7.282 1.00 0.00 H new ATOM 0 HA SER A 30 110.198 10.234 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 30 107.650 9.292 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 30 107.763 10.236 -4.474 1.00 0.00 H new ATOM 0 HG SER A 30 107.331 11.558 -6.334 1.00 0.00 H new ATOM 518 N LEU A 31 110.334 7.203 -5.104 1.00 0.00 N ATOM 519 CA LEU A 31 110.447 5.886 -4.486 1.00 0.00 C ATOM 520 C LEU A 31 111.546 5.887 -3.434 1.00 0.00 C ATOM 521 O LEU A 31 112.702 5.574 -3.728 1.00 0.00 O ATOM 522 CB LEU A 31 110.725 4.803 -5.531 1.00 0.00 C ATOM 523 CG LEU A 31 109.518 4.364 -6.356 1.00 0.00 C ATOM 524 CD1 LEU A 31 109.950 3.415 -7.463 1.00 0.00 C ATOM 525 CD2 LEU A 31 108.481 3.697 -5.462 1.00 0.00 C ATOM 0 H LEU A 31 110.815 7.296 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 31 109.494 5.660 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 111.495 5.167 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 111.134 3.929 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 31 109.069 5.247 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 31 109.078 3.111 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 110.662 3.919 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 31 110.419 2.534 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 31 107.626 3.389 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 108.922 2.822 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 108.152 4.401 -4.698 1.00 0.00 H new ATOM 537 N GLN A 32 111.183 6.278 -2.221 1.00 0.00 N ATOM 538 CA GLN A 32 112.120 6.316 -1.112 1.00 0.00 C ATOM 539 C GLN A 32 111.484 5.728 0.141 1.00 0.00 C ATOM 540 O GLN A 32 110.616 6.344 0.761 1.00 0.00 O ATOM 541 CB GLN A 32 112.579 7.757 -0.853 1.00 0.00 C ATOM 542 CG GLN A 32 113.586 7.902 0.282 1.00 0.00 C ATOM 543 CD GLN A 32 114.850 7.090 0.067 1.00 0.00 C ATOM 544 OE1 GLN A 32 115.800 7.551 -0.565 1.00 0.00 O ATOM 545 NE2 GLN A 32 114.882 5.884 0.611 1.00 0.00 N ATOM 0 H GLN A 32 110.237 6.575 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 32 112.991 5.715 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 32 113.020 8.155 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 32 111.705 8.369 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 32 113.852 8.953 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 32 113.118 7.593 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 32 114.074 5.536 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 32 115.714 5.302 0.513 1.00 0.00 H new ATOM 554 N VAL A 33 111.907 4.525 0.490 1.00 0.00 N ATOM 555 CA VAL A 33 111.428 3.856 1.691 1.00 0.00 C ATOM 556 C VAL A 33 112.425 4.041 2.827 1.00 0.00 C ATOM 557 O VAL A 33 113.637 3.923 2.627 1.00 0.00 O ATOM 558 CB VAL A 33 111.200 2.346 1.445 1.00 0.00 C ATOM 559 CG1 VAL A 33 110.768 1.635 2.719 1.00 0.00 C ATOM 560 CG2 VAL A 33 110.165 2.140 0.354 1.00 0.00 C ATOM 0 H VAL A 33 112.587 3.986 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 33 110.474 4.307 1.963 1.00 0.00 H new ATOM 0 HB VAL A 33 112.148 1.914 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 33 110.616 0.576 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 111.541 1.748 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 33 109.837 2.071 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 33 110.015 1.073 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 109.223 2.597 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 33 110.513 2.602 -0.570 1.00 0.00 H new ATOM 570 N ASP A 34 111.919 4.348 4.009 1.00 0.00 N ATOM 571 CA ASP A 34 112.763 4.502 5.182 1.00 0.00 C ATOM 572 C ASP A 34 112.010 4.028 6.416 1.00 0.00 C ATOM 573 O ASP A 34 110.911 3.487 6.305 1.00 0.00 O ATOM 574 CB ASP A 34 113.231 5.959 5.344 1.00 0.00 C ATOM 575 CG ASP A 34 112.185 6.877 5.948 1.00 0.00 C ATOM 576 OD1 ASP A 34 111.221 7.243 5.250 1.00 0.00 O ATOM 577 OD2 ASP A 34 112.332 7.248 7.129 1.00 0.00 O ATOM 0 H ASP A 34 110.925 4.496 4.182 1.00 0.00 H new ATOM 0 HA ASP A 34 113.656 3.890 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 114.122 5.976 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 34 113.521 6.348 4.368 1.00 0.00 H new ATOM 582 N ASP A 35 112.600 4.221 7.586 1.00 0.00 N ATOM 583 CA ASP A 35 111.999 3.756 8.832 1.00 0.00 C ATOM 584 C ASP A 35 110.697 4.504 9.128 1.00 0.00 C ATOM 585 O ASP A 35 109.850 4.032 9.889 1.00 0.00 O ATOM 586 CB ASP A 35 112.985 3.926 9.990 1.00 0.00 C ATOM 587 CG ASP A 35 112.607 3.100 11.203 1.00 0.00 C ATOM 588 OD1 ASP A 35 112.954 1.899 11.237 1.00 0.00 O ATOM 589 OD2 ASP A 35 111.969 3.641 12.126 1.00 0.00 O ATOM 0 H ASP A 35 113.495 4.696 7.701 1.00 0.00 H new ATOM 0 HA ASP A 35 111.762 2.698 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 35 113.983 3.641 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 35 113.031 4.978 10.271 1.00 0.00 H new ATOM 594 N ASN A 36 110.543 5.675 8.523 1.00 0.00 N ATOM 595 CA ASN A 36 109.324 6.462 8.668 1.00 0.00 C ATOM 596 C ASN A 36 108.347 6.145 7.541 1.00 0.00 C ATOM 597 O ASN A 36 107.204 5.763 7.790 1.00 0.00 O ATOM 598 CB ASN A 36 109.642 7.961 8.677 1.00 0.00 C ATOM 599 CG ASN A 36 110.518 8.365 9.849 1.00 0.00 C ATOM 600 OD1 ASN A 36 110.023 8.759 10.905 1.00 0.00 O ATOM 601 ND2 ASN A 36 111.826 8.260 9.673 1.00 0.00 N ATOM 0 H ASN A 36 111.250 6.102 7.925 1.00 0.00 H new ATOM 0 HA ASN A 36 108.863 6.198 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 36 110.142 8.228 7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 36 108.711 8.526 8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 36 112.464 8.510 10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 36 112.196 7.929 8.782 1.00 0.00 H new ATOM 608 N HIS A 37 108.797 6.297 6.298 1.00 0.00 N ATOM 609 CA HIS A 37 107.964 5.981 5.141 1.00 0.00 C ATOM 610 C HIS A 37 108.057 4.496 4.838 1.00 0.00 C ATOM 611 O HIS A 37 109.007 4.050 4.197 1.00 0.00 O ATOM 612 CB HIS A 37 108.397 6.770 3.898 1.00 0.00 C ATOM 613 CG HIS A 37 108.344 8.258 4.058 1.00 0.00 C ATOM 614 ND1 HIS A 37 109.383 8.990 4.586 1.00 0.00 N ATOM 615 CD2 HIS A 37 107.380 9.153 3.742 1.00 0.00 C ATOM 616 CE1 HIS A 37 109.061 10.271 4.591 1.00 0.00 C ATOM 617 NE2 HIS A 37 107.850 10.397 4.083 1.00 0.00 N ATOM 0 H HIS A 37 109.731 6.636 6.067 1.00 0.00 H new ATOM 0 HA HIS A 37 106.939 6.259 5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 37 109.415 6.481 3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 37 107.760 6.484 3.061 1.00 0.00 H new ATOM 0 HD1 HIS A 37 110.265 8.603 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 37 106.419 8.930 3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 37 109.683 11.078 4.950 1.00 0.00 H new ATOM 626 N ARG A 38 107.083 3.732 5.298 1.00 0.00 N ATOM 627 CA ARG A 38 107.112 2.291 5.112 1.00 0.00 C ATOM 628 C ARG A 38 106.061 1.866 4.100 1.00 0.00 C ATOM 629 O ARG A 38 104.870 2.130 4.274 1.00 0.00 O ATOM 630 CB ARG A 38 106.884 1.572 6.444 1.00 0.00 C ATOM 631 CG ARG A 38 107.890 1.947 7.520 1.00 0.00 C ATOM 632 CD ARG A 38 107.685 1.131 8.786 1.00 0.00 C ATOM 633 NE ARG A 38 108.583 1.551 9.860 1.00 0.00 N ATOM 634 CZ ARG A 38 109.235 0.710 10.666 1.00 0.00 C ATOM 635 NH1 ARG A 38 109.114 -0.602 10.506 1.00 0.00 N ATOM 636 NH2 ARG A 38 110.006 1.185 11.634 1.00 0.00 N ATOM 0 H ARG A 38 106.267 4.081 5.800 1.00 0.00 H new ATOM 0 HA ARG A 38 108.096 2.014 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 38 105.880 1.799 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 38 106.927 0.496 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 38 108.901 1.789 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 38 107.798 3.008 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.652 1.230 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.850 0.076 8.568 1.00 0.00 H new ATOM 0 HE ARG A 38 108.720 2.552 10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 38 108.520 -0.973 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 38 109.615 -1.240 11.125 1.00 0.00 H new ATOM 0 HH21 ARG A 38 110.101 2.192 11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.505 0.543 12.250 1.00 0.00 H new ATOM 650 N ILE A 39 106.507 1.224 3.033 1.00 0.00 N ATOM 651 CA ILE A 39 105.598 0.746 2.008 1.00 0.00 C ATOM 652 C ILE A 39 105.312 -0.735 2.208 1.00 0.00 C ATOM 653 O ILE A 39 106.211 -1.574 2.121 1.00 0.00 O ATOM 654 CB ILE A 39 106.156 0.972 0.579 1.00 0.00 C ATOM 655 CG1 ILE A 39 106.457 2.456 0.353 1.00 0.00 C ATOM 656 CG2 ILE A 39 105.168 0.465 -0.464 1.00 0.00 C ATOM 657 CD1 ILE A 39 106.997 2.766 -1.030 1.00 0.00 C ATOM 0 H ILE A 39 107.491 1.023 2.855 1.00 0.00 H new ATOM 0 HA ILE A 39 104.677 1.321 2.105 1.00 0.00 H new ATOM 0 HB ILE A 39 107.085 0.411 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 105.545 3.031 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 39 107.180 2.788 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 39 105.575 0.631 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 39 104.997 -0.601 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 39 104.225 1.002 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 39 107.186 3.836 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 39 107.927 2.219 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 39 106.267 2.466 -1.781 1.00 0.00 H new ATOM 669 N TYR A 40 104.061 -1.040 2.502 1.00 0.00 N ATOM 670 CA TYR A 40 103.614 -2.414 2.632 1.00 0.00 C ATOM 671 C TYR A 40 103.047 -2.884 1.311 1.00 0.00 C ATOM 672 O TYR A 40 102.122 -2.277 0.766 1.00 0.00 O ATOM 673 CB TYR A 40 102.567 -2.551 3.739 1.00 0.00 C ATOM 674 CG TYR A 40 103.150 -2.538 5.133 1.00 0.00 C ATOM 675 CD1 TYR A 40 103.448 -1.343 5.776 1.00 0.00 C ATOM 676 CD2 TYR A 40 103.404 -3.726 5.805 1.00 0.00 C ATOM 677 CE1 TYR A 40 103.985 -1.335 7.050 1.00 0.00 C ATOM 678 CE2 TYR A 40 103.938 -3.726 7.080 1.00 0.00 C ATOM 679 CZ TYR A 40 104.228 -2.528 7.696 1.00 0.00 C ATOM 680 OH TYR A 40 104.765 -2.521 8.963 1.00 0.00 O ATOM 0 H TYR A 40 103.330 -0.346 2.657 1.00 0.00 H new ATOM 0 HA TYR A 40 104.467 -3.035 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 40 101.847 -1.738 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 40 102.017 -3.481 3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 40 103.257 -0.406 5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 40 103.181 -4.666 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 40 104.213 -0.398 7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 40 104.127 -4.659 7.590 1.00 0.00 H new ATOM 0 HH TYR A 40 104.484 -1.708 9.433 1.00 0.00 H new ATOM 690 N ALA A 41 103.614 -3.949 0.789 1.00 0.00 N ATOM 691 CA ALA A 41 103.191 -4.477 -0.486 1.00 0.00 C ATOM 692 C ALA A 41 102.437 -5.777 -0.287 1.00 0.00 C ATOM 693 O ALA A 41 102.955 -6.724 0.310 1.00 0.00 O ATOM 694 CB ALA A 41 104.392 -4.683 -1.393 1.00 0.00 C ATOM 0 H ALA A 41 104.373 -4.468 1.232 1.00 0.00 H new ATOM 0 HA ALA A 41 102.522 -3.761 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 41 104.060 -5.082 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 104.896 -3.730 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 105.083 -5.386 -0.928 1.00 0.00 H new ATOM 700 N ALA A 42 101.216 -5.819 -0.782 1.00 0.00 N ATOM 701 CA ALA A 42 100.389 -6.997 -0.658 1.00 0.00 C ATOM 702 C ALA A 42 100.584 -7.879 -1.873 1.00 0.00 C ATOM 703 O ALA A 42 100.040 -7.614 -2.952 1.00 0.00 O ATOM 704 CB ALA A 42 98.925 -6.618 -0.488 1.00 0.00 C ATOM 0 H ALA A 42 100.775 -5.044 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 42 100.688 -7.550 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 98.323 -7.522 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 42 98.808 -6.012 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 98.594 -6.048 -1.356 1.00 0.00 H new ATOM 710 N ARG A 43 101.396 -8.907 -1.689 1.00 0.00 N ATOM 711 CA ARG A 43 101.772 -9.798 -2.770 1.00 0.00 C ATOM 712 C ARG A 43 100.859 -11.010 -2.778 1.00 0.00 C ATOM 713 O ARG A 43 100.849 -11.806 -1.838 1.00 0.00 O ATOM 714 CB ARG A 43 103.240 -10.225 -2.616 1.00 0.00 C ATOM 715 CG ARG A 43 103.738 -11.150 -3.717 1.00 0.00 C ATOM 716 CD ARG A 43 105.209 -11.508 -3.532 1.00 0.00 C ATOM 717 NE ARG A 43 106.105 -10.379 -3.807 1.00 0.00 N ATOM 718 CZ ARG A 43 107.394 -10.346 -3.450 1.00 0.00 C ATOM 719 NH1 ARG A 43 107.926 -11.346 -2.757 1.00 0.00 N ATOM 720 NH2 ARG A 43 108.156 -9.311 -3.787 1.00 0.00 N ATOM 0 H ARG A 43 101.811 -9.145 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 43 101.665 -9.275 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 43 103.866 -9.333 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 43 103.363 -10.723 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 43 103.140 -12.061 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 43 103.600 -10.670 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 43 105.369 -11.853 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 43 105.463 -12.337 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 43 105.723 -9.572 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 43 107.351 -12.146 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 43 108.909 -11.314 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 43 107.759 -8.537 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 43 109.138 -9.290 -3.513 1.00 0.00 H new ATOM 734 N PHE A 44 100.089 -11.151 -3.840 1.00 0.00 N ATOM 735 CA PHE A 44 99.163 -12.255 -3.950 1.00 0.00 C ATOM 736 C PHE A 44 99.797 -13.360 -4.778 1.00 0.00 C ATOM 737 O PHE A 44 99.692 -13.377 -6.008 1.00 0.00 O ATOM 738 CB PHE A 44 97.837 -11.794 -4.562 1.00 0.00 C ATOM 739 CG PHE A 44 96.771 -12.856 -4.591 1.00 0.00 C ATOM 740 CD1 PHE A 44 96.028 -13.141 -3.457 1.00 0.00 C ATOM 741 CD2 PHE A 44 96.509 -13.565 -5.754 1.00 0.00 C ATOM 742 CE1 PHE A 44 95.047 -14.113 -3.480 1.00 0.00 C ATOM 743 CE2 PHE A 44 95.528 -14.537 -5.784 1.00 0.00 C ATOM 744 CZ PHE A 44 94.797 -14.812 -4.645 1.00 0.00 C ATOM 0 H PHE A 44 100.088 -10.514 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 44 98.943 -12.642 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 44 97.467 -10.938 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 44 98.019 -11.450 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 44 96.218 -12.597 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 44 97.079 -13.355 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 44 94.476 -14.326 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 44 95.333 -15.081 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 44 94.031 -15.573 -4.665 1.00 0.00 H new ATOM 754 N ASN A 45 100.513 -14.233 -4.074 1.00 0.00 N ATOM 755 CA ASN A 45 101.180 -15.396 -4.658 1.00 0.00 C ATOM 756 C ASN A 45 102.394 -14.994 -5.499 1.00 0.00 C ATOM 757 O ASN A 45 103.528 -15.320 -5.147 1.00 0.00 O ATOM 758 CB ASN A 45 100.209 -16.234 -5.496 1.00 0.00 C ATOM 759 CG ASN A 45 100.808 -17.567 -5.903 1.00 0.00 C ATOM 760 OD1 ASN A 45 101.619 -18.142 -5.178 1.00 0.00 O ATOM 761 ND2 ASN A 45 100.415 -18.068 -7.064 1.00 0.00 N ATOM 0 H ASN A 45 100.649 -14.152 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 45 101.534 -16.005 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 45 99.296 -16.407 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 45 99.927 -15.676 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 45 100.787 -18.962 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 99.740 -17.560 -7.636 1.00 0.00 H new ATOM 768 N GLU A 46 102.161 -14.279 -6.595 1.00 0.00 N ATOM 769 CA GLU A 46 103.239 -13.941 -7.518 1.00 0.00 C ATOM 770 C GLU A 46 103.606 -12.455 -7.478 1.00 0.00 C ATOM 771 O GLU A 46 104.775 -12.111 -7.323 1.00 0.00 O ATOM 772 CB GLU A 46 102.878 -14.349 -8.954 1.00 0.00 C ATOM 773 CG GLU A 46 101.543 -13.804 -9.444 1.00 0.00 C ATOM 774 CD GLU A 46 101.425 -13.833 -10.953 1.00 0.00 C ATOM 775 OE1 GLU A 46 101.088 -14.897 -11.513 1.00 0.00 O ATOM 776 OE2 GLU A 46 101.682 -12.792 -11.592 1.00 0.00 O ATOM 0 H GLU A 46 101.243 -13.925 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 46 104.113 -14.504 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 46 103.665 -14.006 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 46 102.858 -15.437 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 100.733 -14.389 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 101.421 -12.779 -9.093 1.00 0.00 H new ATOM 783 N ARG A 47 102.618 -11.574 -7.607 1.00 0.00 N ATOM 784 CA ARG A 47 102.906 -10.152 -7.774 1.00 0.00 C ATOM 785 C ARG A 47 102.157 -9.302 -6.754 1.00 0.00 C ATOM 786 O ARG A 47 101.322 -9.809 -5.999 1.00 0.00 O ATOM 787 CB ARG A 47 102.567 -9.704 -9.201 1.00 0.00 C ATOM 788 CG ARG A 47 101.088 -9.781 -9.551 1.00 0.00 C ATOM 789 CD ARG A 47 100.863 -9.494 -11.028 1.00 0.00 C ATOM 790 NE ARG A 47 99.442 -9.414 -11.375 1.00 0.00 N ATOM 791 CZ ARG A 47 98.769 -10.384 -11.996 1.00 0.00 C ATOM 792 NH1 ARG A 47 99.348 -11.551 -12.240 1.00 0.00 N ATOM 793 NH2 ARG A 47 97.507 -10.189 -12.353 1.00 0.00 N ATOM 0 H ARG A 47 101.626 -11.813 -7.600 1.00 0.00 H new ATOM 0 HA ARG A 47 103.972 -10.007 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 102.907 -8.677 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 47 103.127 -10.320 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 47 100.704 -10.771 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 47 100.530 -9.065 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 47 101.351 -8.555 -11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 47 101.335 -10.276 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 47 98.936 -8.564 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 47 100.313 -11.711 -11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 47 98.828 -12.289 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 47 97.052 -9.298 -12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 47 96.991 -10.930 -12.828 1.00 0.00 H new ATOM 807 N LEU A 48 102.453 -8.009 -6.744 1.00 0.00 N ATOM 808 CA LEU A 48 101.887 -7.093 -5.767 1.00 0.00 C ATOM 809 C LEU A 48 100.548 -6.557 -6.257 1.00 0.00 C ATOM 810 O LEU A 48 100.489 -5.797 -7.220 1.00 0.00 O ATOM 811 CB LEU A 48 102.851 -5.928 -5.517 1.00 0.00 C ATOM 812 CG LEU A 48 104.298 -6.327 -5.218 1.00 0.00 C ATOM 813 CD1 LEU A 48 105.169 -5.092 -5.050 1.00 0.00 C ATOM 814 CD2 LEU A 48 104.372 -7.202 -3.978 1.00 0.00 C ATOM 0 H LEU A 48 103.089 -7.569 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 48 101.731 -7.634 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 48 102.844 -5.279 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 48 102.474 -5.339 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 48 104.673 -6.902 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 48 106.194 -5.396 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 48 105.147 -4.504 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 48 104.791 -4.490 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 48 105.410 -7.473 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 48 103.975 -6.655 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 103.784 -8.106 -4.135 1.00 0.00 H new ATOM 826 N LEU A 49 99.473 -6.955 -5.603 1.00 0.00 N ATOM 827 CA LEU A 49 98.145 -6.507 -5.994 1.00 0.00 C ATOM 828 C LEU A 49 97.793 -5.204 -5.300 1.00 0.00 C ATOM 829 O LEU A 49 97.071 -4.373 -5.852 1.00 0.00 O ATOM 830 CB LEU A 49 97.090 -7.571 -5.679 1.00 0.00 C ATOM 831 CG LEU A 49 96.819 -8.579 -6.799 1.00 0.00 C ATOM 832 CD1 LEU A 49 98.084 -9.327 -7.185 1.00 0.00 C ATOM 833 CD2 LEU A 49 95.733 -9.552 -6.376 1.00 0.00 C ATOM 0 H LEU A 49 99.490 -7.585 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 49 98.155 -6.340 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 97.404 -8.117 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.155 -7.069 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 49 96.478 -8.029 -7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 49 97.859 -10.035 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 49 98.835 -8.617 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 49 98.467 -9.866 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 49 95.549 -10.264 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 96.053 -10.089 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.816 -9.003 -6.161 1.00 0.00 H new ATOM 845 N ALA A 50 98.312 -5.023 -4.093 1.00 0.00 N ATOM 846 CA ALA A 50 98.032 -3.821 -3.323 1.00 0.00 C ATOM 847 C ALA A 50 99.320 -3.157 -2.862 1.00 0.00 C ATOM 848 O ALA A 50 100.216 -3.818 -2.336 1.00 0.00 O ATOM 849 CB ALA A 50 97.153 -4.149 -2.126 1.00 0.00 C ATOM 0 H ALA A 50 98.927 -5.691 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 50 97.500 -3.123 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 50 96.953 -3.239 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 50 96.211 -4.575 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 50 97.664 -4.869 -1.486 1.00 0.00 H new ATOM 855 N ALA A 51 99.413 -1.854 -3.067 1.00 0.00 N ATOM 856 CA ALA A 51 100.562 -1.090 -2.612 1.00 0.00 C ATOM 857 C ALA A 51 100.109 0.056 -1.716 1.00 0.00 C ATOM 858 O ALA A 51 99.391 0.955 -2.162 1.00 0.00 O ATOM 859 CB ALA A 51 101.352 -0.561 -3.801 1.00 0.00 C ATOM 0 H ALA A 51 98.703 -1.301 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 51 101.213 -1.746 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 51 102.209 0.009 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 51 101.700 -1.397 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 51 100.713 0.084 -4.404 1.00 0.00 H new ATOM 865 N VAL A 52 100.511 0.014 -0.452 1.00 0.00 N ATOM 866 CA VAL A 52 100.116 1.037 0.504 1.00 0.00 C ATOM 867 C VAL A 52 101.336 1.639 1.204 1.00 0.00 C ATOM 868 O VAL A 52 102.267 0.927 1.585 1.00 0.00 O ATOM 869 CB VAL A 52 99.116 0.479 1.548 1.00 0.00 C ATOM 870 CG1 VAL A 52 99.732 -0.649 2.362 1.00 0.00 C ATOM 871 CG2 VAL A 52 98.610 1.588 2.458 1.00 0.00 C ATOM 0 H VAL A 52 101.109 -0.717 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 52 99.616 1.828 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 52 98.266 0.067 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 52 99.003 -1.017 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 52 100.024 -1.461 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 52 100.611 -0.279 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 52 97.910 1.173 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 52 99.451 2.039 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 52 98.106 2.348 1.860 1.00 0.00 H new ATOM 881 N ARG A 53 101.339 2.957 1.341 1.00 0.00 N ATOM 882 CA ARG A 53 102.431 3.657 2.002 1.00 0.00 C ATOM 883 C ARG A 53 101.965 4.255 3.317 1.00 0.00 C ATOM 884 O ARG A 53 101.106 5.139 3.335 1.00 0.00 O ATOM 885 CB ARG A 53 102.976 4.777 1.120 1.00 0.00 C ATOM 886 CG ARG A 53 103.528 4.310 -0.209 1.00 0.00 C ATOM 887 CD ARG A 53 104.135 5.470 -0.975 1.00 0.00 C ATOM 888 NE ARG A 53 104.636 5.066 -2.283 1.00 0.00 N ATOM 889 CZ ARG A 53 105.208 5.905 -3.144 1.00 0.00 C ATOM 890 NH1 ARG A 53 105.365 7.187 -2.830 1.00 0.00 N ATOM 891 NH2 ARG A 53 105.624 5.464 -4.321 1.00 0.00 N ATOM 0 H ARG A 53 100.594 3.565 1.002 1.00 0.00 H new ATOM 0 HA ARG A 53 103.220 2.928 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 53 102.180 5.499 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 53 103.763 5.301 1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 53 104.283 3.541 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 53 102.733 3.855 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 53 103.386 6.252 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 53 104.950 5.900 -0.393 1.00 0.00 H new ATOM 0 HE ARG A 53 104.543 4.087 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 53 105.046 7.533 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 53 105.804 7.825 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 53 105.506 4.481 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 53 106.062 6.107 -4.981 1.00 0.00 H new ATOM 905 N VAL A 54 102.529 3.772 4.410 1.00 0.00 N ATOM 906 CA VAL A 54 102.231 4.323 5.716 1.00 0.00 C ATOM 907 C VAL A 54 103.421 5.133 6.226 1.00 0.00 C ATOM 908 O VAL A 54 104.478 4.594 6.566 1.00 0.00 O ATOM 909 CB VAL A 54 101.823 3.228 6.737 1.00 0.00 C ATOM 910 CG1 VAL A 54 102.871 2.128 6.836 1.00 0.00 C ATOM 911 CG2 VAL A 54 101.552 3.841 8.103 1.00 0.00 C ATOM 0 H VAL A 54 103.195 3.000 4.417 1.00 0.00 H new ATOM 0 HA VAL A 54 101.371 4.985 5.609 1.00 0.00 H new ATOM 0 HB VAL A 54 100.903 2.769 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 102.547 1.381 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 102.997 1.657 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 54 103.820 2.558 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 54 101.267 3.056 8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 54 102.452 4.340 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 54 100.742 4.566 8.022 1.00 0.00 H new ATOM 921 N THR A 55 103.255 6.441 6.223 1.00 0.00 N ATOM 922 CA THR A 55 104.278 7.342 6.701 1.00 0.00 C ATOM 923 C THR A 55 104.132 7.554 8.204 1.00 0.00 C ATOM 924 O THR A 55 103.199 8.213 8.665 1.00 0.00 O ATOM 925 CB THR A 55 104.204 8.697 5.965 1.00 0.00 C ATOM 926 OG1 THR A 55 104.462 8.506 4.565 1.00 0.00 O ATOM 927 CG2 THR A 55 105.207 9.691 6.534 1.00 0.00 C ATOM 0 H THR A 55 102.410 6.905 5.890 1.00 0.00 H new ATOM 0 HA THR A 55 105.250 6.893 6.498 1.00 0.00 H new ATOM 0 HB THR A 55 103.202 9.102 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 55 103.620 8.560 4.067 1.00 0.00 H new ATOM 0 HG21 THR A 55 105.130 10.635 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 55 104.995 9.858 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 55 106.216 9.292 6.426 1.00 0.00 H new ATOM 935 N LEU A 56 105.038 6.961 8.966 1.00 0.00 N ATOM 936 CA LEU A 56 105.023 7.098 10.410 1.00 0.00 C ATOM 937 C LEU A 56 105.656 8.419 10.824 1.00 0.00 C ATOM 938 O LEU A 56 106.874 8.584 10.774 1.00 0.00 O ATOM 939 CB LEU A 56 105.754 5.925 11.071 1.00 0.00 C ATOM 940 CG LEU A 56 105.136 4.547 10.815 1.00 0.00 C ATOM 941 CD1 LEU A 56 105.942 3.461 11.511 1.00 0.00 C ATOM 942 CD2 LEU A 56 103.688 4.514 11.283 1.00 0.00 C ATOM 0 H LEU A 56 105.794 6.379 8.605 1.00 0.00 H new ATOM 0 HA LEU A 56 103.986 7.089 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 56 106.785 5.915 10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 56 105.787 6.097 12.147 1.00 0.00 H new ATOM 0 HG LEU A 56 105.157 4.358 9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 56 105.487 2.490 11.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 106.963 3.466 11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 56 105.954 3.648 12.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 103.266 3.527 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 103.646 4.727 12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 56 103.113 5.265 10.741 1.00 0.00 H new ATOM 954 N SER A 57 104.812 9.362 11.207 1.00 0.00 N ATOM 955 CA SER A 57 105.267 10.664 11.653 1.00 0.00 C ATOM 956 C SER A 57 105.182 10.732 13.171 1.00 0.00 C ATOM 957 O SER A 57 104.089 10.814 13.740 1.00 0.00 O ATOM 958 CB SER A 57 104.417 11.765 11.011 1.00 0.00 C ATOM 959 OG SER A 57 104.936 13.053 11.294 1.00 0.00 O ATOM 0 H SER A 57 103.799 9.246 11.217 1.00 0.00 H new ATOM 0 HA SER A 57 106.303 10.815 11.350 1.00 0.00 H new ATOM 0 HB2 SER A 57 104.380 11.615 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 57 103.393 11.696 11.377 1.00 0.00 H new ATOM 0 HG SER A 57 104.373 13.733 10.869 1.00 0.00 H new ATOM 965 N GLY A 58 106.334 10.672 13.825 1.00 0.00 N ATOM 966 CA GLY A 58 106.357 10.599 15.269 1.00 0.00 C ATOM 967 C GLY A 58 105.871 9.249 15.752 1.00 0.00 C ATOM 968 O GLY A 58 106.632 8.283 15.782 1.00 0.00 O ATOM 0 H GLY A 58 107.252 10.673 13.380 1.00 0.00 H new ATOM 0 HA2 GLY A 58 107.371 10.775 15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 105.729 11.386 15.686 1.00 0.00 H new ATOM 972 N THR A 59 104.599 9.179 16.110 1.00 0.00 N ATOM 973 CA THR A 59 103.983 7.923 16.507 1.00 0.00 C ATOM 974 C THR A 59 102.699 7.679 15.723 1.00 0.00 C ATOM 975 O THR A 59 102.012 6.683 15.932 1.00 0.00 O ATOM 976 CB THR A 59 103.674 7.897 18.020 1.00 0.00 C ATOM 977 OG1 THR A 59 103.041 9.124 18.420 1.00 0.00 O ATOM 978 CG2 THR A 59 104.942 7.688 18.835 1.00 0.00 C ATOM 0 H THR A 59 103.970 9.982 16.134 1.00 0.00 H new ATOM 0 HA THR A 59 104.697 7.130 16.285 1.00 0.00 H new ATOM 0 HB THR A 59 102.999 7.062 18.209 1.00 0.00 H new ATOM 0 HG1 THR A 59 102.276 9.303 17.834 1.00 0.00 H new ATOM 0 HG21 THR A 59 104.694 7.674 19.896 1.00 0.00 H new ATOM 0 HG22 THR A 59 105.401 6.739 18.557 1.00 0.00 H new ATOM 0 HG23 THR A 59 105.640 8.501 18.636 1.00 0.00 H new ATOM 986 N GLU A 60 102.391 8.584 14.802 1.00 0.00 N ATOM 987 CA GLU A 60 101.139 8.504 14.064 1.00 0.00 C ATOM 988 C GLU A 60 101.381 8.007 12.644 1.00 0.00 C ATOM 989 O GLU A 60 102.373 8.367 12.009 1.00 0.00 O ATOM 990 CB GLU A 60 100.439 9.866 14.032 1.00 0.00 C ATOM 991 CG GLU A 60 100.330 10.534 15.397 1.00 0.00 C ATOM 992 CD GLU A 60 99.900 9.582 16.498 1.00 0.00 C ATOM 993 OE1 GLU A 60 98.839 8.936 16.367 1.00 0.00 O ATOM 994 OE2 GLU A 60 100.620 9.486 17.514 1.00 0.00 O ATOM 0 H GLU A 60 102.985 9.374 14.551 1.00 0.00 H new ATOM 0 HA GLU A 60 100.492 7.793 14.577 1.00 0.00 H new ATOM 0 HB2 GLU A 60 100.982 10.527 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 60 99.438 9.740 13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 60 101.294 10.970 15.659 1.00 0.00 H new ATOM 0 HG3 GLU A 60 99.615 11.355 15.336 1.00 0.00 H new ATOM 1001 N GLY A 61 100.472 7.180 12.150 1.00 0.00 N ATOM 1002 CA GLY A 61 100.628 6.612 10.829 1.00 0.00 C ATOM 1003 C GLY A 61 99.780 7.319 9.795 1.00 0.00 C ATOM 1004 O GLY A 61 98.553 7.249 9.839 1.00 0.00 O ATOM 0 H GLY A 61 99.627 6.892 12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.676 6.666 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.359 5.556 10.856 1.00 0.00 H new ATOM 1008 N ALA A 62 100.431 8.009 8.875 1.00 0.00 N ATOM 1009 CA ALA A 62 99.736 8.702 7.803 1.00 0.00 C ATOM 1010 C ALA A 62 99.897 7.949 6.492 1.00 0.00 C ATOM 1011 O ALA A 62 100.993 7.876 5.941 1.00 0.00 O ATOM 1012 CB ALA A 62 100.258 10.126 7.667 1.00 0.00 C ATOM 0 H ALA A 62 101.446 8.105 8.849 1.00 0.00 H new ATOM 0 HA ALA A 62 98.675 8.744 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 62 99.728 10.632 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 62 100.096 10.664 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 62 101.324 10.103 7.442 1.00 0.00 H new ATOM 1018 N LEU A 63 98.811 7.386 5.998 1.00 0.00 N ATOM 1019 CA LEU A 63 98.843 6.616 4.769 1.00 0.00 C ATOM 1020 C LEU A 63 98.497 7.511 3.592 1.00 0.00 C ATOM 1021 O LEU A 63 97.361 7.972 3.452 1.00 0.00 O ATOM 1022 CB LEU A 63 97.887 5.417 4.836 1.00 0.00 C ATOM 1023 CG LEU A 63 98.195 4.384 5.929 1.00 0.00 C ATOM 1024 CD1 LEU A 63 97.705 4.860 7.290 1.00 0.00 C ATOM 1025 CD2 LEU A 63 97.580 3.039 5.585 1.00 0.00 C ATOM 0 H LEU A 63 97.890 7.448 6.432 1.00 0.00 H new ATOM 0 HA LEU A 63 99.851 6.224 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 63 96.874 5.790 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 63 97.898 4.912 3.870 1.00 0.00 H new ATOM 0 HG LEU A 63 99.278 4.268 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 63 97.937 4.108 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 63 98.200 5.797 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 96.627 5.017 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 97.810 2.322 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 63 96.499 3.145 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 63 97.989 2.683 4.639 1.00 0.00 H new ATOM 1037 N ASP A 64 99.491 7.767 2.761 1.00 0.00 N ATOM 1038 CA ASP A 64 99.354 8.714 1.660 1.00 0.00 C ATOM 1039 C ASP A 64 99.007 8.014 0.351 1.00 0.00 C ATOM 1040 O ASP A 64 98.244 8.538 -0.466 1.00 0.00 O ATOM 1041 CB ASP A 64 100.643 9.531 1.498 1.00 0.00 C ATOM 1042 CG ASP A 64 101.886 8.660 1.424 1.00 0.00 C ATOM 1043 OD1 ASP A 64 102.172 8.113 0.337 1.00 0.00 O ATOM 1044 OD2 ASP A 64 102.577 8.518 2.457 1.00 0.00 O ATOM 0 H ASP A 64 100.411 7.330 2.826 1.00 0.00 H new ATOM 0 HA ASP A 64 98.531 9.385 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 64 100.574 10.135 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 64 100.738 10.222 2.336 1.00 0.00 H new ATOM 1049 N SER A 65 99.561 6.832 0.149 1.00 0.00 N ATOM 1050 CA SER A 65 99.349 6.104 -1.088 1.00 0.00 C ATOM 1051 C SER A 65 98.706 4.749 -0.825 1.00 0.00 C ATOM 1052 O SER A 65 99.212 3.955 -0.034 1.00 0.00 O ATOM 1053 CB SER A 65 100.676 5.923 -1.824 1.00 0.00 C ATOM 1054 OG SER A 65 101.321 7.168 -2.030 1.00 0.00 O ATOM 0 H SER A 65 100.160 6.357 0.824 1.00 0.00 H new ATOM 0 HA SER A 65 98.670 6.685 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 65 101.327 5.264 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 65 100.499 5.439 -2.784 1.00 0.00 H new ATOM 0 HG SER A 65 101.661 7.506 -1.175 1.00 0.00 H new ATOM 1060 N LEU A 66 97.584 4.502 -1.486 1.00 0.00 N ATOM 1061 CA LEU A 66 96.899 3.222 -1.389 1.00 0.00 C ATOM 1062 C LEU A 66 96.252 2.874 -2.722 1.00 0.00 C ATOM 1063 O LEU A 66 95.218 3.432 -3.087 1.00 0.00 O ATOM 1064 CB LEU A 66 95.845 3.256 -0.275 1.00 0.00 C ATOM 1065 CG LEU A 66 94.976 1.998 -0.148 1.00 0.00 C ATOM 1066 CD1 LEU A 66 95.832 0.772 0.129 1.00 0.00 C ATOM 1067 CD2 LEU A 66 93.938 2.181 0.948 1.00 0.00 C ATOM 0 H LEU A 66 97.127 5.177 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 66 97.631 2.453 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 66 96.352 3.424 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 95.192 4.112 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 66 94.460 1.843 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 66 95.192 -0.106 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 66 96.538 0.629 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 66 96.380 0.914 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 93.329 1.280 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 66 94.440 2.363 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 66 93.300 3.031 0.706 1.00 0.00 H new ATOM 1079 N ARG A 67 96.878 1.975 -3.463 1.00 0.00 N ATOM 1080 CA ARG A 67 96.354 1.563 -4.757 1.00 0.00 C ATOM 1081 C ARG A 67 96.331 0.043 -4.872 1.00 0.00 C ATOM 1082 O ARG A 67 97.380 -0.605 -4.876 1.00 0.00 O ATOM 1083 CB ARG A 67 97.190 2.156 -5.901 1.00 0.00 C ATOM 1084 CG ARG A 67 97.220 3.679 -5.927 1.00 0.00 C ATOM 1085 CD ARG A 67 95.841 4.277 -6.176 1.00 0.00 C ATOM 1086 NE ARG A 67 95.340 3.993 -7.523 1.00 0.00 N ATOM 1087 CZ ARG A 67 94.183 4.457 -8.003 1.00 0.00 C ATOM 1088 NH1 ARG A 67 93.392 5.209 -7.241 1.00 0.00 N ATOM 1089 NH2 ARG A 67 93.813 4.165 -9.244 1.00 0.00 N ATOM 0 H ARG A 67 97.748 1.517 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 67 95.334 1.939 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 67 98.212 1.785 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 67 96.794 1.795 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 67 97.609 4.049 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 67 97.906 4.014 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 67 95.140 3.883 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 67 95.885 5.356 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 67 95.909 3.405 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 67 93.668 5.434 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 67 92.510 5.561 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 67 94.412 3.586 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 67 92.929 4.520 -9.610 1.00 0.00 H new ATOM 1103 N VAL A 68 95.133 -0.516 -4.929 1.00 0.00 N ATOM 1104 CA VAL A 68 94.956 -1.933 -5.203 1.00 0.00 C ATOM 1105 C VAL A 68 94.343 -2.079 -6.587 1.00 0.00 C ATOM 1106 O VAL A 68 93.425 -1.336 -6.934 1.00 0.00 O ATOM 1107 CB VAL A 68 94.035 -2.621 -4.170 1.00 0.00 C ATOM 1108 CG1 VAL A 68 94.228 -4.124 -4.204 1.00 0.00 C ATOM 1109 CG2 VAL A 68 94.275 -2.073 -2.769 1.00 0.00 C ATOM 0 H VAL A 68 94.262 -0.005 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 68 95.932 -2.415 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 68 93.002 -2.402 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 68 93.572 -4.592 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 93.987 -4.499 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 68 95.265 -4.363 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 68 93.613 -2.575 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 68 95.312 -2.249 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 68 94.072 -1.002 -2.757 1.00 0.00 H new ATOM 1119 N ARG A 69 94.848 -3.010 -7.385 1.00 0.00 N ATOM 1120 CA ARG A 69 94.389 -3.125 -8.762 1.00 0.00 C ATOM 1121 C ARG A 69 93.160 -4.021 -8.910 1.00 0.00 C ATOM 1122 O ARG A 69 92.619 -4.542 -7.933 1.00 0.00 O ATOM 1123 CB ARG A 69 95.509 -3.577 -9.709 1.00 0.00 C ATOM 1124 CG ARG A 69 96.609 -4.420 -9.081 1.00 0.00 C ATOM 1125 CD ARG A 69 97.604 -4.842 -10.148 1.00 0.00 C ATOM 1126 NE ARG A 69 98.889 -5.289 -9.610 1.00 0.00 N ATOM 1127 CZ ARG A 69 99.900 -5.702 -10.376 1.00 0.00 C ATOM 1128 NH1 ARG A 69 99.753 -5.753 -11.692 1.00 0.00 N ATOM 1129 NH2 ARG A 69 101.050 -6.051 -9.825 1.00 0.00 N ATOM 0 H ARG A 69 95.562 -3.685 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 69 94.087 -2.119 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 69 95.062 -4.146 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.964 -2.691 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 69 97.116 -3.851 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 69 96.178 -5.300 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 69 97.169 -5.647 -10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 69 97.775 -4.005 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 69 99.018 -5.285 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 69 98.868 -5.477 -12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 69 100.525 -6.068 -12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 69 101.165 -6.005 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 69 101.822 -6.367 -10.412 1.00 0.00 H new ATOM 1143 N GLU A 70 92.764 -4.208 -10.167 1.00 0.00 N ATOM 1144 CA GLU A 70 91.463 -4.767 -10.547 1.00 0.00 C ATOM 1145 C GLU A 70 91.157 -6.137 -9.928 1.00 0.00 C ATOM 1146 O GLU A 70 89.989 -6.486 -9.760 1.00 0.00 O ATOM 1147 CB GLU A 70 91.403 -4.885 -12.069 1.00 0.00 C ATOM 1148 CG GLU A 70 91.640 -3.573 -12.802 1.00 0.00 C ATOM 1149 CD GLU A 70 90.511 -2.582 -12.611 1.00 0.00 C ATOM 1150 OE1 GLU A 70 89.460 -2.741 -13.270 1.00 0.00 O ATOM 1151 OE2 GLU A 70 90.670 -1.634 -11.815 1.00 0.00 O ATOM 0 H GLU A 70 93.349 -3.971 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 70 90.709 -4.082 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 70 92.147 -5.611 -12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 70 90.427 -5.277 -12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 70 92.571 -3.128 -12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 91.765 -3.774 -13.866 1.00 0.00 H new ATOM 1158 N VAL A 71 92.185 -6.913 -9.611 1.00 0.00 N ATOM 1159 CA VAL A 71 91.986 -8.272 -9.102 1.00 0.00 C ATOM 1160 C VAL A 71 91.295 -8.269 -7.735 1.00 0.00 C ATOM 1161 O VAL A 71 90.544 -9.186 -7.398 1.00 0.00 O ATOM 1162 CB VAL A 71 93.324 -9.039 -8.985 1.00 0.00 C ATOM 1163 CG1 VAL A 71 93.085 -10.494 -8.604 1.00 0.00 C ATOM 1164 CG2 VAL A 71 94.115 -8.951 -10.279 1.00 0.00 C ATOM 0 H VAL A 71 93.162 -6.631 -9.695 1.00 0.00 H new ATOM 0 HA VAL A 71 91.346 -8.777 -9.825 1.00 0.00 H new ATOM 0 HB VAL A 71 93.909 -8.570 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 71 94.041 -11.012 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 71 92.571 -10.539 -7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 71 92.472 -10.974 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 71 95.051 -9.498 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 71 93.533 -9.385 -11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 71 94.329 -7.906 -10.504 1.00 0.00 H new ATOM 1174 N THR A 72 91.532 -7.226 -6.956 1.00 0.00 N ATOM 1175 CA THR A 72 91.040 -7.178 -5.590 1.00 0.00 C ATOM 1176 C THR A 72 89.750 -6.355 -5.495 1.00 0.00 C ATOM 1177 O THR A 72 89.463 -5.723 -4.475 1.00 0.00 O ATOM 1178 CB THR A 72 92.127 -6.588 -4.676 1.00 0.00 C ATOM 1179 OG1 THR A 72 93.391 -7.182 -5.003 1.00 0.00 O ATOM 1180 CG2 THR A 72 91.820 -6.846 -3.213 1.00 0.00 C ATOM 0 H THR A 72 92.061 -6.403 -7.246 1.00 0.00 H new ATOM 0 HA THR A 72 90.807 -8.192 -5.265 1.00 0.00 H new ATOM 0 HB THR A 72 92.158 -5.510 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 72 94.055 -6.932 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 72 92.608 -6.416 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 72 90.865 -6.387 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 72 91.766 -7.920 -3.037 1.00 0.00 H new ATOM 1188 N ARG A 73 88.954 -6.403 -6.554 1.00 0.00 N ATOM 1189 CA ARG A 73 87.714 -5.643 -6.626 1.00 0.00 C ATOM 1190 C ARG A 73 86.694 -6.116 -5.588 1.00 0.00 C ATOM 1191 O ARG A 73 86.000 -7.112 -5.801 1.00 0.00 O ATOM 1192 CB ARG A 73 87.107 -5.751 -8.024 1.00 0.00 C ATOM 1193 CG ARG A 73 85.832 -4.942 -8.197 1.00 0.00 C ATOM 1194 CD ARG A 73 85.180 -5.222 -9.538 1.00 0.00 C ATOM 1195 NE ARG A 73 86.060 -4.891 -10.654 1.00 0.00 N ATOM 1196 CZ ARG A 73 86.210 -5.654 -11.734 1.00 0.00 C ATOM 1197 NH1 ARG A 73 85.623 -6.842 -11.804 1.00 0.00 N ATOM 1198 NH2 ARG A 73 86.971 -5.236 -12.736 1.00 0.00 N ATOM 0 H ARG A 73 89.148 -6.966 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 73 87.959 -4.603 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 73 87.842 -5.417 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.895 -6.798 -8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.135 -5.182 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 73 86.059 -3.879 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 73 84.904 -6.275 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 73 84.258 -4.646 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 73 86.592 -4.022 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 73 85.053 -7.176 -11.027 1.00 0.00 H new ATOM 0 HH12 ARG A 73 85.742 -7.422 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 73 87.440 -4.332 -12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 73 87.088 -5.819 -13.565 1.00 0.00 H new ATOM 1212 N ARG A 74 86.640 -5.403 -4.463 1.00 0.00 N ATOM 1213 CA ARG A 74 85.599 -5.589 -3.445 1.00 0.00 C ATOM 1214 C ARG A 74 85.484 -7.047 -3.000 1.00 0.00 C ATOM 1215 O ARG A 74 84.606 -7.781 -3.456 1.00 0.00 O ATOM 1216 CB ARG A 74 84.260 -5.088 -3.989 1.00 0.00 C ATOM 1217 CG ARG A 74 84.300 -3.630 -4.424 1.00 0.00 C ATOM 1218 CD ARG A 74 83.151 -3.286 -5.354 1.00 0.00 C ATOM 1219 NE ARG A 74 81.846 -3.455 -4.720 1.00 0.00 N ATOM 1220 CZ ARG A 74 80.699 -3.496 -5.395 1.00 0.00 C ATOM 1221 NH1 ARG A 74 80.703 -3.419 -6.720 1.00 0.00 N ATOM 1222 NH2 ARG A 74 79.551 -3.618 -4.746 1.00 0.00 N ATOM 0 H ARG A 74 87.318 -4.677 -4.229 1.00 0.00 H new ATOM 0 HA ARG A 74 85.879 -5.009 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 74 83.965 -5.706 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 74 83.494 -5.212 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 74 84.260 -2.987 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 74 85.246 -3.426 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 74 83.257 -2.255 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 74 83.205 -3.917 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 74 81.811 -3.547 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 74 81.586 -3.328 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 74 79.823 -3.451 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 74 79.545 -3.681 -3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 74 78.673 -3.649 -5.264 1.00 0.00 H new ATOM 1236 N ARG A 75 86.382 -7.465 -2.114 1.00 0.00 N ATOM 1237 CA ARG A 75 86.409 -8.850 -1.651 1.00 0.00 C ATOM 1238 C ARG A 75 86.616 -8.924 -0.144 1.00 0.00 C ATOM 1239 O ARG A 75 85.820 -9.530 0.572 1.00 0.00 O ATOM 1240 CB ARG A 75 87.514 -9.629 -2.373 1.00 0.00 C ATOM 1241 CG ARG A 75 87.245 -9.816 -3.858 1.00 0.00 C ATOM 1242 CD ARG A 75 86.037 -10.705 -4.085 1.00 0.00 C ATOM 1243 NE ARG A 75 85.407 -10.460 -5.380 1.00 0.00 N ATOM 1244 CZ ARG A 75 84.807 -11.398 -6.107 1.00 0.00 C ATOM 1245 NH1 ARG A 75 84.878 -12.677 -5.749 1.00 0.00 N ATOM 1246 NH2 ARG A 75 84.159 -11.051 -7.211 1.00 0.00 N ATOM 0 H ARG A 75 87.099 -6.868 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 75 85.444 -9.301 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 75 88.461 -9.105 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 75 87.625 -10.607 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 75 87.080 -8.846 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 88.120 -10.256 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 75 86.340 -11.750 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 75 85.309 -10.536 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 75 85.429 -9.510 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 75 85.395 -12.944 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 75 84.415 -13.391 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 75 84.124 -10.072 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 75 83.696 -11.763 -7.775 1.00 0.00 H new ATOM 1260 N GLY A 76 87.673 -8.286 0.336 1.00 0.00 N ATOM 1261 CA GLY A 76 88.000 -8.353 1.748 1.00 0.00 C ATOM 1262 C GLY A 76 89.464 -8.068 1.999 1.00 0.00 C ATOM 1263 O GLY A 76 89.854 -7.691 3.105 1.00 0.00 O ATOM 0 H GLY A 76 88.311 -7.723 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 76 87.391 -7.635 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 76 87.751 -9.342 2.132 1.00 0.00 H new ATOM 1267 N VAL A 77 90.273 -8.251 0.961 1.00 0.00 N ATOM 1268 CA VAL A 77 91.706 -7.985 1.032 1.00 0.00 C ATOM 1269 C VAL A 77 91.988 -6.551 1.479 1.00 0.00 C ATOM 1270 O VAL A 77 92.855 -6.328 2.317 1.00 0.00 O ATOM 1271 CB VAL A 77 92.382 -8.249 -0.329 1.00 0.00 C ATOM 1272 CG1 VAL A 77 93.841 -7.818 -0.319 1.00 0.00 C ATOM 1273 CG2 VAL A 77 92.261 -9.719 -0.707 1.00 0.00 C ATOM 0 H VAL A 77 89.957 -8.586 0.051 1.00 0.00 H new ATOM 0 HA VAL A 77 92.124 -8.665 1.774 1.00 0.00 H new ATOM 0 HB VAL A 77 91.865 -7.651 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.286 -8.018 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 77 93.904 -6.751 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 77 94.380 -8.375 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 77 92.743 -9.888 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 92.745 -10.331 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 77 91.208 -9.991 -0.776 1.00 0.00 H new ATOM 1283 N GLY A 78 91.254 -5.586 0.917 1.00 0.00 N ATOM 1284 CA GLY A 78 91.429 -4.195 1.306 1.00 0.00 C ATOM 1285 C GLY A 78 91.298 -3.979 2.804 1.00 0.00 C ATOM 1286 O GLY A 78 92.154 -3.338 3.419 1.00 0.00 O ATOM 0 H GLY A 78 90.544 -5.745 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 92.411 -3.852 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 78 90.690 -3.583 0.790 1.00 0.00 H new ATOM 1290 N GLN A 79 90.228 -4.513 3.390 1.00 0.00 N ATOM 1291 CA GLN A 79 90.024 -4.417 4.832 1.00 0.00 C ATOM 1292 C GLN A 79 91.165 -5.091 5.580 1.00 0.00 C ATOM 1293 O GLN A 79 91.786 -4.482 6.450 1.00 0.00 O ATOM 1294 CB GLN A 79 88.698 -5.056 5.268 1.00 0.00 C ATOM 1295 CG GLN A 79 87.449 -4.361 4.744 1.00 0.00 C ATOM 1296 CD GLN A 79 86.936 -4.968 3.453 1.00 0.00 C ATOM 1297 OE1 GLN A 79 87.705 -5.458 2.630 1.00 0.00 O ATOM 1298 NE2 GLN A 79 85.625 -4.949 3.274 1.00 0.00 N ATOM 0 H GLN A 79 89.493 -5.014 2.891 1.00 0.00 H new ATOM 0 HA GLN A 79 89.994 -3.355 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 79 88.685 -6.094 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 79 88.659 -5.070 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 79 86.666 -4.412 5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 79 87.667 -3.305 4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 79 85.020 -4.533 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 79 85.220 -5.351 2.429 1.00 0.00 H new ATOM 1307 N TYR A 80 91.447 -6.343 5.221 1.00 0.00 N ATOM 1308 CA TYR A 80 92.470 -7.121 5.911 1.00 0.00 C ATOM 1309 C TYR A 80 93.826 -6.434 5.835 1.00 0.00 C ATOM 1310 O TYR A 80 94.553 -6.391 6.823 1.00 0.00 O ATOM 1311 CB TYR A 80 92.576 -8.539 5.339 1.00 0.00 C ATOM 1312 CG TYR A 80 93.536 -9.416 6.117 1.00 0.00 C ATOM 1313 CD1 TYR A 80 93.111 -10.108 7.243 1.00 0.00 C ATOM 1314 CD2 TYR A 80 94.871 -9.530 5.741 1.00 0.00 C ATOM 1315 CE1 TYR A 80 93.986 -10.891 7.972 1.00 0.00 C ATOM 1316 CE2 TYR A 80 95.753 -10.308 6.470 1.00 0.00 C ATOM 1317 CZ TYR A 80 95.304 -10.985 7.583 1.00 0.00 C ATOM 1318 OH TYR A 80 96.180 -11.754 8.318 1.00 0.00 O ATOM 0 H TYR A 80 90.982 -6.837 4.459 1.00 0.00 H new ATOM 0 HA TYR A 80 92.168 -7.190 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 80 91.588 -9.000 5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 80 92.902 -8.483 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 80 92.080 -10.033 7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 80 95.224 -9.003 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 80 93.638 -11.427 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 80 96.787 -10.384 6.168 1.00 0.00 H new ATOM 0 HH TYR A 80 96.767 -11.170 8.843 1.00 0.00 H new ATOM 1328 N LEU A 81 94.162 -5.902 4.662 1.00 0.00 N ATOM 1329 CA LEU A 81 95.417 -5.186 4.470 1.00 0.00 C ATOM 1330 C LEU A 81 95.581 -4.096 5.522 1.00 0.00 C ATOM 1331 O LEU A 81 96.588 -4.048 6.227 1.00 0.00 O ATOM 1332 CB LEU A 81 95.465 -4.570 3.069 1.00 0.00 C ATOM 1333 CG LEU A 81 96.698 -3.714 2.771 1.00 0.00 C ATOM 1334 CD1 LEU A 81 97.963 -4.559 2.808 1.00 0.00 C ATOM 1335 CD2 LEU A 81 96.552 -3.023 1.424 1.00 0.00 C ATOM 0 H LEU A 81 93.578 -5.955 3.827 1.00 0.00 H new ATOM 0 HA LEU A 81 96.236 -5.897 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 81 95.416 -5.374 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 81 94.575 -3.956 2.930 1.00 0.00 H new ATOM 0 HG LEU A 81 96.780 -2.949 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 81 98.827 -3.930 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 81 98.075 -5.004 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 81 97.895 -5.349 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 81 97.437 -2.418 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 81 96.443 -3.773 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 81 95.671 -2.382 1.438 1.00 0.00 H new ATOM 1347 N LEU A 82 94.578 -3.237 5.639 1.00 0.00 N ATOM 1348 CA LEU A 82 94.644 -2.128 6.576 1.00 0.00 C ATOM 1349 C LEU A 82 94.558 -2.612 8.018 1.00 0.00 C ATOM 1350 O LEU A 82 95.334 -2.177 8.866 1.00 0.00 O ATOM 1351 CB LEU A 82 93.536 -1.114 6.297 1.00 0.00 C ATOM 1352 CG LEU A 82 93.627 -0.409 4.946 1.00 0.00 C ATOM 1353 CD1 LEU A 82 92.582 0.687 4.861 1.00 0.00 C ATOM 1354 CD2 LEU A 82 95.021 0.164 4.729 1.00 0.00 C ATOM 0 H LEU A 82 93.714 -3.287 5.099 1.00 0.00 H new ATOM 0 HA LEU A 82 95.609 -1.641 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 82 92.575 -1.624 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 82 93.548 -0.360 7.084 1.00 0.00 H new ATOM 0 HG LEU A 82 93.436 -1.139 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 82 92.654 1.185 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 82 91.589 0.252 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 82 92.751 1.413 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 82 95.063 0.662 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 82 95.245 0.883 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 82 95.754 -0.642 4.755 1.00 0.00 H new ATOM 1366 N GLU A 83 93.625 -3.515 8.295 1.00 0.00 N ATOM 1367 CA GLU A 83 93.444 -4.018 9.651 1.00 0.00 C ATOM 1368 C GLU A 83 94.691 -4.751 10.135 1.00 0.00 C ATOM 1369 O GLU A 83 95.010 -4.711 11.318 1.00 0.00 O ATOM 1370 CB GLU A 83 92.211 -4.921 9.749 1.00 0.00 C ATOM 1371 CG GLU A 83 90.903 -4.169 9.548 1.00 0.00 C ATOM 1372 CD GLU A 83 89.680 -5.001 9.879 1.00 0.00 C ATOM 1373 OE1 GLU A 83 89.261 -5.003 11.058 1.00 0.00 O ATOM 1374 OE2 GLU A 83 89.119 -5.638 8.965 1.00 0.00 O ATOM 0 H GLU A 83 92.987 -3.911 7.605 1.00 0.00 H new ATOM 0 HA GLU A 83 93.282 -3.159 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 83 92.287 -5.712 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 83 92.199 -5.405 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 83 90.906 -3.275 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 83 90.838 -3.836 8.512 1.00 0.00 H new ATOM 1381 N GLU A 84 95.404 -5.397 9.217 1.00 0.00 N ATOM 1382 CA GLU A 84 96.660 -6.063 9.548 1.00 0.00 C ATOM 1383 C GLU A 84 97.722 -5.027 9.915 1.00 0.00 C ATOM 1384 O GLU A 84 98.474 -5.208 10.870 1.00 0.00 O ATOM 1385 CB GLU A 84 97.133 -6.927 8.372 1.00 0.00 C ATOM 1386 CG GLU A 84 98.363 -7.770 8.674 1.00 0.00 C ATOM 1387 CD GLU A 84 98.151 -8.718 9.836 1.00 0.00 C ATOM 1388 OE1 GLU A 84 97.561 -9.800 9.635 1.00 0.00 O ATOM 1389 OE2 GLU A 84 98.580 -8.388 10.960 1.00 0.00 O ATOM 0 H GLU A 84 95.133 -5.474 8.237 1.00 0.00 H new ATOM 0 HA GLU A 84 96.497 -6.714 10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 84 96.319 -7.586 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 84 97.350 -6.279 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 84 98.632 -8.344 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 84 99.204 -7.112 8.896 1.00 0.00 H new ATOM 1396 N VAL A 85 97.762 -3.930 9.164 1.00 0.00 N ATOM 1397 CA VAL A 85 98.685 -2.836 9.450 1.00 0.00 C ATOM 1398 C VAL A 85 98.379 -2.215 10.813 1.00 0.00 C ATOM 1399 O VAL A 85 99.276 -2.000 11.634 1.00 0.00 O ATOM 1400 CB VAL A 85 98.625 -1.740 8.355 1.00 0.00 C ATOM 1401 CG1 VAL A 85 99.497 -0.547 8.724 1.00 0.00 C ATOM 1402 CG2 VAL A 85 99.056 -2.309 7.011 1.00 0.00 C ATOM 0 H VAL A 85 97.165 -3.775 8.352 1.00 0.00 H new ATOM 0 HA VAL A 85 99.691 -3.256 9.462 1.00 0.00 H new ATOM 0 HB VAL A 85 97.593 -1.397 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 85 99.435 0.206 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 85 99.149 -0.119 9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 85 100.531 -0.873 8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 85 99.008 -1.527 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 85 100.078 -2.682 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 85 98.391 -3.126 6.732 1.00 0.00 H new ATOM 1412 N LEU A 86 97.099 -1.959 11.057 1.00 0.00 N ATOM 1413 CA LEU A 86 96.651 -1.366 12.314 1.00 0.00 C ATOM 1414 C LEU A 86 96.788 -2.358 13.471 1.00 0.00 C ATOM 1415 O LEU A 86 96.816 -1.964 14.639 1.00 0.00 O ATOM 1416 CB LEU A 86 95.196 -0.884 12.193 1.00 0.00 C ATOM 1417 CG LEU A 86 94.997 0.507 11.568 1.00 0.00 C ATOM 1418 CD1 LEU A 86 95.576 0.582 10.164 1.00 0.00 C ATOM 1419 CD2 LEU A 86 93.519 0.874 11.546 1.00 0.00 C ATOM 0 H LEU A 86 96.347 -2.154 10.396 1.00 0.00 H new ATOM 0 HA LEU A 86 97.288 -0.508 12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 86 94.642 -1.610 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 86 94.751 -0.880 13.188 1.00 0.00 H new ATOM 0 HG LEU A 86 95.534 1.224 12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 86 95.415 1.580 9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 86 96.645 0.372 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 86 95.083 -0.153 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 86 93.396 1.861 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 86 92.970 0.139 10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 86 93.132 0.885 12.565 1.00 0.00 H new ATOM 1431 N ARG A 87 96.873 -3.643 13.139 1.00 0.00 N ATOM 1432 CA ARG A 87 97.052 -4.690 14.139 1.00 0.00 C ATOM 1433 C ARG A 87 98.535 -4.889 14.433 1.00 0.00 C ATOM 1434 O ARG A 87 98.914 -5.259 15.544 1.00 0.00 O ATOM 1435 CB ARG A 87 96.419 -6.003 13.653 1.00 0.00 C ATOM 1436 CG ARG A 87 96.404 -7.116 14.692 1.00 0.00 C ATOM 1437 CD ARG A 87 97.436 -8.195 14.392 1.00 0.00 C ATOM 1438 NE ARG A 87 97.161 -8.899 13.136 1.00 0.00 N ATOM 1439 CZ ARG A 87 96.351 -9.956 13.033 1.00 0.00 C ATOM 1440 NH1 ARG A 87 95.715 -10.413 14.106 1.00 0.00 N ATOM 1441 NH2 ARG A 87 96.184 -10.553 11.858 1.00 0.00 N ATOM 0 H ARG A 87 96.820 -3.985 12.180 1.00 0.00 H new ATOM 0 HA ARG A 87 96.554 -4.386 15.060 1.00 0.00 H new ATOM 0 HB2 ARG A 87 95.395 -5.803 13.337 1.00 0.00 H new ATOM 0 HB3 ARG A 87 96.962 -6.350 12.774 1.00 0.00 H new ATOM 0 HG2 ARG A 87 96.598 -6.693 15.678 1.00 0.00 H new ATOM 0 HG3 ARG A 87 95.411 -7.565 14.728 1.00 0.00 H new ATOM 0 HD2 ARG A 87 98.426 -7.743 14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 87 97.455 -8.914 15.211 1.00 0.00 H new ATOM 0 HE ARG A 87 97.616 -8.561 12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 87 95.845 -9.957 15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 87 95.096 -11.220 14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 87 96.674 -10.204 11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 87 95.565 -11.360 11.779 1.00 0.00 H new ATOM 1455 N ASN A 88 99.367 -4.637 13.427 1.00 0.00 N ATOM 1456 CA ASN A 88 100.813 -4.758 13.570 1.00 0.00 C ATOM 1457 C ASN A 88 101.335 -3.752 14.590 1.00 0.00 C ATOM 1458 O ASN A 88 102.030 -4.118 15.538 1.00 0.00 O ATOM 1459 CB ASN A 88 101.508 -4.535 12.223 1.00 0.00 C ATOM 1460 CG ASN A 88 103.011 -4.736 12.306 1.00 0.00 C ATOM 1461 OD1 ASN A 88 103.499 -5.549 13.091 1.00 0.00 O ATOM 1462 ND2 ASN A 88 103.760 -3.996 11.502 1.00 0.00 N ATOM 0 H ASN A 88 99.061 -4.346 12.498 1.00 0.00 H new ATOM 0 HA ASN A 88 101.035 -5.766 13.920 1.00 0.00 H new ATOM 0 HB2 ASN A 88 101.093 -5.221 11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 88 101.298 -3.525 11.872 1.00 0.00 H new ATOM 0 HD21 ASN A 88 104.775 -4.090 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 88 103.321 -3.332 10.864 1.00 0.00 H new ATOM 1469 N ASN A 89 100.989 -2.487 14.395 1.00 0.00 N ATOM 1470 CA ASN A 89 101.419 -1.440 15.311 1.00 0.00 C ATOM 1471 C ASN A 89 100.218 -0.765 15.963 1.00 0.00 C ATOM 1472 O ASN A 89 99.549 0.067 15.347 1.00 0.00 O ATOM 1473 CB ASN A 89 102.281 -0.398 14.591 1.00 0.00 C ATOM 1474 CG ASN A 89 102.759 0.699 15.527 1.00 0.00 C ATOM 1475 OD1 ASN A 89 102.921 0.482 16.728 1.00 0.00 O ATOM 1476 ND2 ASN A 89 102.993 1.885 14.986 1.00 0.00 N ATOM 0 H ASN A 89 100.416 -2.162 13.616 1.00 0.00 H new ATOM 0 HA ASN A 89 102.022 -1.908 16.089 1.00 0.00 H new ATOM 0 HB2 ASN A 89 103.143 -0.891 14.141 1.00 0.00 H new ATOM 0 HB3 ASN A 89 101.707 0.046 13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 103.319 2.656 15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 89 102.847 2.027 13.987 1.00 0.00 H new ATOM 1483 N PRO A 90 99.918 -1.137 17.216 1.00 0.00 N ATOM 1484 CA PRO A 90 98.837 -0.537 17.991 1.00 0.00 C ATOM 1485 C PRO A 90 99.260 0.780 18.641 1.00 0.00 C ATOM 1486 O PRO A 90 98.438 1.488 19.224 1.00 0.00 O ATOM 1487 CB PRO A 90 98.529 -1.590 19.072 1.00 0.00 C ATOM 1488 CG PRO A 90 99.467 -2.733 18.823 1.00 0.00 C ATOM 1489 CD PRO A 90 100.584 -2.197 17.975 1.00 0.00 C ATOM 0 HA PRO A 90 97.979 -0.292 17.365 1.00 0.00 H new ATOM 0 HB2 PRO A 90 98.675 -1.177 20.070 1.00 0.00 H new ATOM 0 HB3 PRO A 90 97.491 -1.918 19.011 1.00 0.00 H new ATOM 0 HG2 PRO A 90 99.851 -3.130 19.763 1.00 0.00 H new ATOM 0 HG3 PRO A 90 98.955 -3.551 18.316 1.00 0.00 H new ATOM 0 HD2 PRO A 90 101.404 -1.810 18.580 1.00 0.00 H new ATOM 0 HD3 PRO A 90 101.003 -2.963 17.322 1.00 0.00 H new ATOM 1497 N GLY A 91 100.543 1.111 18.519 1.00 0.00 N ATOM 1498 CA GLY A 91 101.074 2.311 19.142 1.00 0.00 C ATOM 1499 C GLY A 91 100.845 3.554 18.306 1.00 0.00 C ATOM 1500 O GLY A 91 101.768 4.330 18.068 1.00 0.00 O ATOM 0 H GLY A 91 101.228 0.565 17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 91 100.609 2.444 20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 91 102.143 2.184 19.312 1.00 0.00 H new ATOM 1504 N VAL A 92 99.611 3.727 17.853 1.00 0.00 N ATOM 1505 CA VAL A 92 99.223 4.884 17.058 1.00 0.00 C ATOM 1506 C VAL A 92 97.887 5.411 17.563 1.00 0.00 C ATOM 1507 O VAL A 92 96.966 4.631 17.808 1.00 0.00 O ATOM 1508 CB VAL A 92 99.090 4.526 15.558 1.00 0.00 C ATOM 1509 CG1 VAL A 92 98.595 5.719 14.756 1.00 0.00 C ATOM 1510 CG2 VAL A 92 100.413 4.028 14.998 1.00 0.00 C ATOM 0 H VAL A 92 98.851 3.069 18.026 1.00 0.00 H new ATOM 0 HA VAL A 92 100.000 5.642 17.160 1.00 0.00 H new ATOM 0 HB VAL A 92 98.356 3.725 15.473 1.00 0.00 H new ATOM 0 HG11 VAL A 92 98.510 5.441 13.705 1.00 0.00 H new ATOM 0 HG12 VAL A 92 97.619 6.029 15.129 1.00 0.00 H new ATOM 0 HG13 VAL A 92 99.301 6.544 14.857 1.00 0.00 H new ATOM 0 HG21 VAL A 92 100.292 3.783 13.943 1.00 0.00 H new ATOM 0 HG22 VAL A 92 101.169 4.805 15.106 1.00 0.00 H new ATOM 0 HG23 VAL A 92 100.727 3.138 15.543 1.00 0.00 H new ATOM 1520 N SER A 93 97.775 6.719 17.730 1.00 0.00 N ATOM 1521 CA SER A 93 96.539 7.297 18.230 1.00 0.00 C ATOM 1522 C SER A 93 95.665 7.791 17.082 1.00 0.00 C ATOM 1523 O SER A 93 94.436 7.742 17.157 1.00 0.00 O ATOM 1524 CB SER A 93 96.828 8.425 19.227 1.00 0.00 C ATOM 1525 OG SER A 93 97.650 9.437 18.664 1.00 0.00 O ATOM 0 H SER A 93 98.514 7.393 17.530 1.00 0.00 H new ATOM 0 HA SER A 93 95.990 6.516 18.756 1.00 0.00 H new ATOM 0 HB2 SER A 93 95.888 8.865 19.559 1.00 0.00 H new ATOM 0 HB3 SER A 93 97.316 8.012 20.110 1.00 0.00 H new ATOM 0 HG SER A 93 97.727 9.296 17.697 1.00 0.00 H new ATOM 1531 N CYS A 94 96.299 8.257 16.018 1.00 0.00 N ATOM 1532 CA CYS A 94 95.577 8.753 14.860 1.00 0.00 C ATOM 1533 C CYS A 94 96.107 8.137 13.571 1.00 0.00 C ATOM 1534 O CYS A 94 97.252 8.369 13.184 1.00 0.00 O ATOM 1535 CB CYS A 94 95.682 10.276 14.785 1.00 0.00 C ATOM 1536 SG CYS A 94 94.912 11.143 16.173 1.00 0.00 S ATOM 0 H CYS A 94 97.315 8.302 15.933 1.00 0.00 H new ATOM 0 HA CYS A 94 94.531 8.466 14.972 1.00 0.00 H new ATOM 0 HB2 CYS A 94 96.735 10.554 14.737 1.00 0.00 H new ATOM 0 HB3 CYS A 94 95.220 10.615 13.858 1.00 0.00 H new ATOM 0 HG CYS A 94 93.925 11.869 15.738 1.00 0.00 H new ATOM 1542 N TRP A 95 95.274 7.342 12.921 1.00 0.00 N ATOM 1543 CA TRP A 95 95.607 6.813 11.610 1.00 0.00 C ATOM 1544 C TRP A 95 95.090 7.764 10.542 1.00 0.00 C ATOM 1545 O TRP A 95 93.883 7.935 10.377 1.00 0.00 O ATOM 1546 CB TRP A 95 95.016 5.414 11.418 1.00 0.00 C ATOM 1547 CG TRP A 95 95.723 4.356 12.212 1.00 0.00 C ATOM 1548 CD1 TRP A 95 95.327 3.811 13.401 1.00 0.00 C ATOM 1549 CD2 TRP A 95 96.958 3.717 11.870 1.00 0.00 C ATOM 1550 NE1 TRP A 95 96.242 2.872 13.816 1.00 0.00 N ATOM 1551 CE2 TRP A 95 97.252 2.797 12.894 1.00 0.00 C ATOM 1552 CE3 TRP A 95 97.845 3.834 10.795 1.00 0.00 C ATOM 1553 CZ2 TRP A 95 98.393 1.999 12.871 1.00 0.00 C ATOM 1554 CZ3 TRP A 95 98.977 3.043 10.777 1.00 0.00 C ATOM 1555 CH2 TRP A 95 99.242 2.135 11.808 1.00 0.00 C ATOM 0 H TRP A 95 94.365 7.049 13.279 1.00 0.00 H new ATOM 0 HA TRP A 95 96.690 6.727 11.525 1.00 0.00 H new ATOM 0 HB2 TRP A 95 93.964 5.430 11.703 1.00 0.00 H new ATOM 0 HB3 TRP A 95 95.056 5.152 10.361 1.00 0.00 H new ATOM 0 HD1 TRP A 95 94.428 4.078 13.936 1.00 0.00 H new ATOM 0 HE1 TRP A 95 96.179 2.321 14.672 1.00 0.00 H new ATOM 0 HE3 TRP A 95 97.648 4.530 9.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 98.600 1.297 13.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 99.670 3.127 9.953 1.00 0.00 H new ATOM 0 HH2 TRP A 95 100.135 1.529 11.763 1.00 0.00 H new ATOM 1566 N TRP A 96 96.014 8.375 9.827 1.00 0.00 N ATOM 1567 CA TRP A 96 95.681 9.434 8.890 1.00 0.00 C ATOM 1568 C TRP A 96 95.568 8.866 7.483 1.00 0.00 C ATOM 1569 O TRP A 96 96.457 8.163 7.017 1.00 0.00 O ATOM 1570 CB TRP A 96 96.771 10.517 8.940 1.00 0.00 C ATOM 1571 CG TRP A 96 96.453 11.779 8.184 1.00 0.00 C ATOM 1572 CD1 TRP A 96 96.184 11.904 6.850 1.00 0.00 C ATOM 1573 CD2 TRP A 96 96.411 13.108 8.722 1.00 0.00 C ATOM 1574 NE1 TRP A 96 95.953 13.219 6.532 1.00 0.00 N ATOM 1575 CE2 TRP A 96 96.092 13.979 7.662 1.00 0.00 C ATOM 1576 CE3 TRP A 96 96.607 13.645 9.998 1.00 0.00 C ATOM 1577 CZ2 TRP A 96 95.963 15.354 7.840 1.00 0.00 C ATOM 1578 CZ3 TRP A 96 96.481 15.011 10.172 1.00 0.00 C ATOM 1579 CH2 TRP A 96 96.161 15.850 9.098 1.00 0.00 C ATOM 0 H TRP A 96 97.009 8.155 9.877 1.00 0.00 H new ATOM 0 HA TRP A 96 94.723 9.875 9.164 1.00 0.00 H new ATOM 0 HB2 TRP A 96 96.958 10.774 9.983 1.00 0.00 H new ATOM 0 HB3 TRP A 96 97.696 10.098 8.544 1.00 0.00 H new ATOM 0 HD1 TRP A 96 96.157 11.085 6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 96 95.716 13.572 5.605 1.00 0.00 H new ATOM 0 HE3 TRP A 96 96.852 13.005 10.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 95.716 16.005 7.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 96.632 15.438 11.153 1.00 0.00 H new ATOM 0 HH2 TRP A 96 96.069 16.913 9.267 1.00 0.00 H new ATOM 1590 N MET A 97 94.459 9.153 6.830 1.00 0.00 N ATOM 1591 CA MET A 97 94.271 8.783 5.438 1.00 0.00 C ATOM 1592 C MET A 97 94.329 10.028 4.575 1.00 0.00 C ATOM 1593 O MET A 97 93.483 10.920 4.690 1.00 0.00 O ATOM 1594 CB MET A 97 92.952 8.040 5.243 1.00 0.00 C ATOM 1595 CG MET A 97 93.050 6.562 5.563 1.00 0.00 C ATOM 1596 SD MET A 97 94.156 5.705 4.428 1.00 0.00 S ATOM 1597 CE MET A 97 94.171 4.069 5.141 1.00 0.00 C ATOM 0 H MET A 97 93.667 9.645 7.244 1.00 0.00 H new ATOM 0 HA MET A 97 95.071 8.106 5.138 1.00 0.00 H new ATOM 0 HB2 MET A 97 92.189 8.493 5.876 1.00 0.00 H new ATOM 0 HB3 MET A 97 92.623 8.161 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 97 93.407 6.434 6.585 1.00 0.00 H new ATOM 0 HG3 MET A 97 92.058 6.113 5.513 1.00 0.00 H new ATOM 0 HE1 MET A 97 94.618 3.369 4.435 1.00 0.00 H new ATOM 0 HE2 MET A 97 94.755 4.079 6.061 1.00 0.00 H new ATOM 0 HE3 MET A 97 93.150 3.759 5.362 1.00 0.00 H new ATOM 1607 N ALA A 98 95.338 10.084 3.724 1.00 0.00 N ATOM 1608 CA ALA A 98 95.650 11.302 2.993 1.00 0.00 C ATOM 1609 C ALA A 98 95.109 11.284 1.569 1.00 0.00 C ATOM 1610 O ALA A 98 94.592 10.274 1.091 1.00 0.00 O ATOM 1611 CB ALA A 98 97.154 11.535 2.985 1.00 0.00 C ATOM 0 H ALA A 98 95.957 9.299 3.521 1.00 0.00 H new ATOM 0 HA ALA A 98 95.156 12.125 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 98 97.378 12.449 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 98 97.513 11.631 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 98 97.650 10.692 2.504 1.00 0.00 H new ATOM 1617 N ASP A 99 95.253 12.419 0.899 1.00 0.00 N ATOM 1618 CA ASP A 99 94.786 12.594 -0.460 1.00 0.00 C ATOM 1619 C ASP A 99 95.908 13.158 -1.310 1.00 0.00 C ATOM 1620 O ASP A 99 96.151 14.365 -1.341 1.00 0.00 O ATOM 1621 CB ASP A 99 93.562 13.515 -0.515 1.00 0.00 C ATOM 1622 CG ASP A 99 93.297 14.049 -1.913 1.00 0.00 C ATOM 1623 OD1 ASP A 99 93.342 13.260 -2.878 1.00 0.00 O ATOM 1624 OD2 ASP A 99 93.036 15.267 -2.045 1.00 0.00 O ATOM 0 H ASP A 99 95.701 13.247 1.290 1.00 0.00 H new ATOM 0 HA ASP A 99 94.485 11.622 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 99 92.685 12.970 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 99 93.710 14.352 0.168 1.00 0.00 H new ATOM 1629 N ALA A 100 96.632 12.259 -1.933 1.00 0.00 N ATOM 1630 CA ALA A 100 97.680 12.625 -2.875 1.00 0.00 C ATOM 1631 C ALA A 100 97.137 12.680 -4.304 1.00 0.00 C ATOM 1632 O ALA A 100 97.881 12.503 -5.270 1.00 0.00 O ATOM 1633 CB ALA A 100 98.833 11.636 -2.778 1.00 0.00 C ATOM 0 H ALA A 100 96.517 11.253 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 100 98.045 13.620 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 100 99.613 11.916 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 100 99.239 11.649 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 100 98.474 10.634 -3.012 1.00 0.00 H new ATOM 1639 N GLY A 101 95.844 12.949 -4.432 1.00 0.00 N ATOM 1640 CA GLY A 101 95.221 12.986 -5.738 1.00 0.00 C ATOM 1641 C GLY A 101 94.274 11.824 -5.931 1.00 0.00 C ATOM 1642 O GLY A 101 94.300 11.149 -6.964 1.00 0.00 O ATOM 0 H GLY A 101 95.216 13.142 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 101 94.678 13.923 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 101 95.990 12.963 -6.510 1.00 0.00 H new ATOM 1646 N VAL A 102 93.445 11.587 -4.927 1.00 0.00 N ATOM 1647 CA VAL A 102 92.504 10.480 -4.948 1.00 0.00 C ATOM 1648 C VAL A 102 91.295 10.810 -5.818 1.00 0.00 C ATOM 1649 O VAL A 102 90.376 11.512 -5.387 1.00 0.00 O ATOM 1650 CB VAL A 102 92.030 10.113 -3.525 1.00 0.00 C ATOM 1651 CG1 VAL A 102 91.082 8.923 -3.557 1.00 0.00 C ATOM 1652 CG2 VAL A 102 93.219 9.823 -2.623 1.00 0.00 C ATOM 0 H VAL A 102 93.406 12.153 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 102 93.027 9.623 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 102 91.488 10.967 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 102 90.763 8.685 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 102 90.210 9.169 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 102 91.593 8.062 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 102 92.864 9.566 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 102 93.790 8.989 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 102 93.856 10.706 -2.566 1.00 0.00 H new ATOM 1662 N GLU A 103 91.320 10.315 -7.050 1.00 0.00 N ATOM 1663 CA GLU A 103 90.200 10.468 -7.971 1.00 0.00 C ATOM 1664 C GLU A 103 89.027 9.603 -7.519 1.00 0.00 C ATOM 1665 O GLU A 103 87.862 9.978 -7.665 1.00 0.00 O ATOM 1666 CB GLU A 103 90.635 10.076 -9.387 1.00 0.00 C ATOM 1667 CG GLU A 103 89.522 10.143 -10.420 1.00 0.00 C ATOM 1668 CD GLU A 103 89.986 9.717 -11.797 1.00 0.00 C ATOM 1669 OE1 GLU A 103 90.354 8.534 -11.964 1.00 0.00 O ATOM 1670 OE2 GLU A 103 89.982 10.563 -12.721 1.00 0.00 O ATOM 0 H GLU A 103 92.111 9.800 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 103 89.882 11.510 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 103 91.447 10.732 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 103 91.035 9.062 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 103 88.697 9.504 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 103 89.136 11.161 -10.469 1.00 0.00 H new ATOM 1677 N ASP A 104 89.354 8.455 -6.935 1.00 0.00 N ATOM 1678 CA ASP A 104 88.353 7.509 -6.443 1.00 0.00 C ATOM 1679 C ASP A 104 87.812 7.973 -5.091 1.00 0.00 C ATOM 1680 O ASP A 104 87.699 7.193 -4.145 1.00 0.00 O ATOM 1681 CB ASP A 104 88.981 6.118 -6.312 1.00 0.00 C ATOM 1682 CG ASP A 104 89.654 5.660 -7.593 1.00 0.00 C ATOM 1683 OD1 ASP A 104 90.847 5.989 -7.795 1.00 0.00 O ATOM 1684 OD2 ASP A 104 88.998 4.978 -8.406 1.00 0.00 O ATOM 0 H ASP A 104 90.317 8.153 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 104 87.526 7.462 -7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 104 89.713 6.128 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 104 88.210 5.400 -6.034 1.00 0.00 H new ATOM 1689 N ARG A 105 87.465 9.253 -5.032 1.00 0.00 N ATOM 1690 CA ARG A 105 87.074 9.918 -3.796 1.00 0.00 C ATOM 1691 C ARG A 105 85.864 9.250 -3.149 1.00 0.00 C ATOM 1692 O ARG A 105 85.933 8.808 -2.001 1.00 0.00 O ATOM 1693 CB ARG A 105 86.753 11.383 -4.093 1.00 0.00 C ATOM 1694 CG ARG A 105 86.994 12.324 -2.927 1.00 0.00 C ATOM 1695 CD ARG A 105 88.464 12.353 -2.555 1.00 0.00 C ATOM 1696 NE ARG A 105 88.856 13.627 -1.961 1.00 0.00 N ATOM 1697 CZ ARG A 105 89.856 14.374 -2.425 1.00 0.00 C ATOM 1698 NH1 ARG A 105 90.523 13.996 -3.510 1.00 0.00 N ATOM 1699 NH2 ARG A 105 90.179 15.506 -1.815 1.00 0.00 N ATOM 0 H ARG A 105 87.447 9.864 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 105 87.906 9.845 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 105 87.356 11.711 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 105 85.709 11.460 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 105 86.660 13.328 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 105 86.403 12.006 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 105 88.676 11.546 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 105 89.066 12.168 -3.445 1.00 0.00 H new ATOM 0 HE ARG A 105 88.338 13.962 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 105 90.269 13.132 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 105 91.289 14.570 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 105 89.661 15.806 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 105 90.945 16.077 -2.172 1.00 0.00 H new ATOM 1713 N GLY A 106 84.769 9.169 -3.896 1.00 0.00 N ATOM 1714 CA GLY A 106 83.528 8.638 -3.357 1.00 0.00 C ATOM 1715 C GLY A 106 83.647 7.186 -2.951 1.00 0.00 C ATOM 1716 O GLY A 106 83.160 6.788 -1.891 1.00 0.00 O ATOM 0 H GLY A 106 84.717 9.463 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 106 83.228 9.230 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 106 82.739 8.740 -4.102 1.00 0.00 H new ATOM 1720 N VAL A 107 84.314 6.401 -3.790 1.00 0.00 N ATOM 1721 CA VAL A 107 84.511 4.980 -3.523 1.00 0.00 C ATOM 1722 C VAL A 107 85.239 4.774 -2.198 1.00 0.00 C ATOM 1723 O VAL A 107 84.812 3.977 -1.360 1.00 0.00 O ATOM 1724 CB VAL A 107 85.312 4.298 -4.656 1.00 0.00 C ATOM 1725 CG1 VAL A 107 85.480 2.809 -4.383 1.00 0.00 C ATOM 1726 CG2 VAL A 107 84.638 4.521 -6.000 1.00 0.00 C ATOM 0 H VAL A 107 84.729 6.726 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 107 83.523 4.523 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 107 86.303 4.752 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 107 86.047 2.352 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 107 86.015 2.669 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 107 84.499 2.338 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 107 85.218 4.033 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 107 83.633 4.100 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 107 84.579 5.590 -6.205 1.00 0.00 H new ATOM 1736 N MET A 108 86.320 5.520 -2.001 1.00 0.00 N ATOM 1737 CA MET A 108 87.115 5.391 -0.786 1.00 0.00 C ATOM 1738 C MET A 108 86.372 5.952 0.418 1.00 0.00 C ATOM 1739 O MET A 108 86.519 5.450 1.528 1.00 0.00 O ATOM 1740 CB MET A 108 88.470 6.082 -0.938 1.00 0.00 C ATOM 1741 CG MET A 108 89.335 5.481 -2.033 1.00 0.00 C ATOM 1742 SD MET A 108 89.497 3.688 -1.895 1.00 0.00 S ATOM 1743 CE MET A 108 90.267 3.523 -0.288 1.00 0.00 C ATOM 0 H MET A 108 86.664 6.216 -2.662 1.00 0.00 H new ATOM 0 HA MET A 108 87.287 4.328 -0.620 1.00 0.00 H new ATOM 0 HB2 MET A 108 88.309 7.139 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 108 89.006 6.027 0.010 1.00 0.00 H new ATOM 0 HG2 MET A 108 88.907 5.728 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 108 90.326 5.934 -1.997 1.00 0.00 H new ATOM 0 HE1 MET A 108 90.557 2.484 -0.128 1.00 0.00 H new ATOM 0 HE2 MET A 108 91.152 4.158 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 108 89.562 3.826 0.486 1.00 0.00 H new ATOM 1753 N THR A 109 85.566 6.984 0.196 1.00 0.00 N ATOM 1754 CA THR A 109 84.758 7.552 1.267 1.00 0.00 C ATOM 1755 C THR A 109 83.825 6.486 1.841 1.00 0.00 C ATOM 1756 O THR A 109 83.700 6.341 3.060 1.00 0.00 O ATOM 1757 CB THR A 109 83.929 8.756 0.771 1.00 0.00 C ATOM 1758 OG1 THR A 109 84.797 9.752 0.214 1.00 0.00 O ATOM 1759 CG2 THR A 109 83.120 9.369 1.905 1.00 0.00 C ATOM 0 H THR A 109 85.455 7.441 -0.709 1.00 0.00 H new ATOM 0 HA THR A 109 85.436 7.903 2.045 1.00 0.00 H new ATOM 0 HB THR A 109 83.240 8.398 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 109 84.988 9.533 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 109 82.546 10.215 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 109 82.439 8.621 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 109 83.795 9.711 2.690 1.00 0.00 H new ATOM 1767 N ALA A 110 83.201 5.720 0.951 1.00 0.00 N ATOM 1768 CA ALA A 110 82.313 4.639 1.355 1.00 0.00 C ATOM 1769 C ALA A 110 83.082 3.554 2.104 1.00 0.00 C ATOM 1770 O ALA A 110 82.608 3.027 3.112 1.00 0.00 O ATOM 1771 CB ALA A 110 81.614 4.049 0.138 1.00 0.00 C ATOM 0 H ALA A 110 83.296 5.830 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 110 81.560 5.048 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 110 80.953 3.242 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 110 81.029 4.824 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 110 82.359 3.658 -0.555 1.00 0.00 H new ATOM 1777 N PHE A 111 84.274 3.238 1.611 1.00 0.00 N ATOM 1778 CA PHE A 111 85.118 2.218 2.223 1.00 0.00 C ATOM 1779 C PHE A 111 85.593 2.650 3.609 1.00 0.00 C ATOM 1780 O PHE A 111 85.425 1.916 4.584 1.00 0.00 O ATOM 1781 CB PHE A 111 86.320 1.916 1.321 1.00 0.00 C ATOM 1782 CG PHE A 111 87.348 1.020 1.958 1.00 0.00 C ATOM 1783 CD1 PHE A 111 87.053 -0.301 2.250 1.00 0.00 C ATOM 1784 CD2 PHE A 111 88.610 1.503 2.260 1.00 0.00 C ATOM 1785 CE1 PHE A 111 87.998 -1.122 2.835 1.00 0.00 C ATOM 1786 CE2 PHE A 111 89.557 0.687 2.845 1.00 0.00 C ATOM 1787 CZ PHE A 111 89.252 -0.627 3.133 1.00 0.00 C ATOM 0 H PHE A 111 84.680 3.676 0.784 1.00 0.00 H new ATOM 0 HA PHE A 111 84.522 1.313 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 111 85.965 1.450 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 111 86.795 2.855 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 111 86.074 -0.694 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 111 88.856 2.530 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 111 87.756 -2.150 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 111 90.537 1.077 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 111 89.992 -1.267 3.590 1.00 0.00 H new ATOM 1797 N MET A 112 86.175 3.840 3.688 1.00 0.00 N ATOM 1798 CA MET A 112 86.711 4.358 4.945 1.00 0.00 C ATOM 1799 C MET A 112 85.647 4.404 6.031 1.00 0.00 C ATOM 1800 O MET A 112 85.865 3.911 7.137 1.00 0.00 O ATOM 1801 CB MET A 112 87.306 5.757 4.751 1.00 0.00 C ATOM 1802 CG MET A 112 88.796 5.767 4.443 1.00 0.00 C ATOM 1803 SD MET A 112 89.216 4.878 2.932 1.00 0.00 S ATOM 1804 CE MET A 112 90.987 5.132 2.874 1.00 0.00 C ATOM 0 H MET A 112 86.289 4.469 2.893 1.00 0.00 H new ATOM 0 HA MET A 112 87.499 3.674 5.262 1.00 0.00 H new ATOM 0 HB2 MET A 112 86.776 6.255 3.939 1.00 0.00 H new ATOM 0 HB3 MET A 112 87.130 6.342 5.653 1.00 0.00 H new ATOM 0 HG2 MET A 112 89.135 6.799 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 112 89.336 5.324 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 112 91.319 5.143 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 112 91.234 6.084 3.344 1.00 0.00 H new ATOM 0 HE3 MET A 112 91.488 4.324 3.407 1.00 0.00 H new ATOM 1814 N GLN A 113 84.496 4.984 5.718 1.00 0.00 N ATOM 1815 CA GLN A 113 83.429 5.125 6.703 1.00 0.00 C ATOM 1816 C GLN A 113 82.882 3.761 7.121 1.00 0.00 C ATOM 1817 O GLN A 113 82.483 3.571 8.269 1.00 0.00 O ATOM 1818 CB GLN A 113 82.309 6.019 6.164 1.00 0.00 C ATOM 1819 CG GLN A 113 82.744 7.463 5.954 1.00 0.00 C ATOM 1820 CD GLN A 113 81.611 8.368 5.510 1.00 0.00 C ATOM 1821 OE1 GLN A 113 80.678 7.935 4.835 1.00 0.00 O ATOM 1822 NE2 GLN A 113 81.689 9.637 5.886 1.00 0.00 N ATOM 0 H GLN A 113 84.277 5.363 4.797 1.00 0.00 H new ATOM 0 HA GLN A 113 83.850 5.601 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 113 81.952 5.613 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 113 81.469 5.996 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 113 83.165 7.848 6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 113 83.538 7.492 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 113 82.480 9.955 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 113 80.958 10.295 5.616 1.00 0.00 H new ATOM 1831 N ALA A 114 82.899 2.807 6.199 1.00 0.00 N ATOM 1832 CA ALA A 114 82.426 1.459 6.491 1.00 0.00 C ATOM 1833 C ALA A 114 83.420 0.703 7.369 1.00 0.00 C ATOM 1834 O ALA A 114 83.035 -0.145 8.176 1.00 0.00 O ATOM 1835 CB ALA A 114 82.172 0.688 5.203 1.00 0.00 C ATOM 0 H ALA A 114 83.234 2.941 5.245 1.00 0.00 H new ATOM 0 HA ALA A 114 81.487 1.549 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 114 81.820 -0.315 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 114 81.417 1.206 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 114 83.097 0.620 4.631 1.00 0.00 H new ATOM 1841 N LEU A 115 84.700 1.018 7.214 1.00 0.00 N ATOM 1842 CA LEU A 115 85.747 0.356 7.980 1.00 0.00 C ATOM 1843 C LEU A 115 85.984 1.083 9.305 1.00 0.00 C ATOM 1844 O LEU A 115 86.698 0.594 10.180 1.00 0.00 O ATOM 1845 CB LEU A 115 87.041 0.285 7.161 1.00 0.00 C ATOM 1846 CG LEU A 115 88.119 -0.644 7.723 1.00 0.00 C ATOM 1847 CD1 LEU A 115 87.575 -2.056 7.870 1.00 0.00 C ATOM 1848 CD2 LEU A 115 89.345 -0.647 6.825 1.00 0.00 C ATOM 0 H LEU A 115 85.038 1.728 6.564 1.00 0.00 H new ATOM 0 HA LEU A 115 85.425 -0.661 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 115 86.795 -0.040 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 115 87.456 1.290 7.080 1.00 0.00 H new ATOM 0 HG LEU A 115 88.411 -0.275 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 115 88.353 -2.706 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 115 86.723 -2.049 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 115 87.259 -2.427 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 115 90.100 -1.314 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 115 89.066 -0.992 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 115 89.750 0.363 6.758 1.00 0.00 H new ATOM 1860 N GLY A 116 85.383 2.256 9.445 1.00 0.00 N ATOM 1861 CA GLY A 116 85.458 2.982 10.697 1.00 0.00 C ATOM 1862 C GLY A 116 86.540 4.043 10.706 1.00 0.00 C ATOM 1863 O GLY A 116 87.196 4.254 11.722 1.00 0.00 O ATOM 0 H GLY A 116 84.844 2.719 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 116 84.495 3.452 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 116 85.642 2.277 11.508 1.00 0.00 H new ATOM 1867 N PHE A 117 86.744 4.700 9.578 1.00 0.00 N ATOM 1868 CA PHE A 117 87.675 5.816 9.508 1.00 0.00 C ATOM 1869 C PHE A 117 86.922 7.134 9.579 1.00 0.00 C ATOM 1870 O PHE A 117 86.310 7.562 8.598 1.00 0.00 O ATOM 1871 CB PHE A 117 88.510 5.765 8.226 1.00 0.00 C ATOM 1872 CG PHE A 117 89.598 4.730 8.243 1.00 0.00 C ATOM 1873 CD1 PHE A 117 89.334 3.416 7.896 1.00 0.00 C ATOM 1874 CD2 PHE A 117 90.891 5.078 8.602 1.00 0.00 C ATOM 1875 CE1 PHE A 117 90.339 2.468 7.908 1.00 0.00 C ATOM 1876 CE2 PHE A 117 91.898 4.134 8.616 1.00 0.00 C ATOM 1877 CZ PHE A 117 91.622 2.827 8.269 1.00 0.00 C ATOM 0 H PHE A 117 86.278 4.481 8.697 1.00 0.00 H new ATOM 0 HA PHE A 117 88.351 5.739 10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 117 87.849 5.568 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 117 88.958 6.744 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 117 88.332 3.129 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 117 91.113 6.099 8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 117 90.121 1.446 7.635 1.00 0.00 H new ATOM 0 HE2 PHE A 117 92.901 4.418 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 117 92.408 2.087 8.280 1.00 0.00 H new ATOM 1887 N THR A 118 86.946 7.758 10.747 1.00 0.00 N ATOM 1888 CA THR A 118 86.305 9.046 10.934 1.00 0.00 C ATOM 1889 C THR A 118 86.940 10.104 10.035 1.00 0.00 C ATOM 1890 O THR A 118 88.144 10.081 9.781 1.00 0.00 O ATOM 1891 CB THR A 118 86.368 9.480 12.409 1.00 0.00 C ATOM 1892 OG1 THR A 118 87.515 8.894 13.040 1.00 0.00 O ATOM 1893 CG2 THR A 118 85.107 9.063 13.150 1.00 0.00 C ATOM 0 H THR A 118 87.405 7.390 11.580 1.00 0.00 H new ATOM 0 HA THR A 118 85.257 8.944 10.653 1.00 0.00 H new ATOM 0 HB THR A 118 86.447 10.567 12.444 1.00 0.00 H new ATOM 0 HG1 THR A 118 88.331 9.269 12.648 1.00 0.00 H new ATOM 0 HG21 THR A 118 85.175 9.381 14.191 1.00 0.00 H new ATOM 0 HG22 THR A 118 84.240 9.530 12.684 1.00 0.00 H new ATOM 0 HG23 THR A 118 85.002 7.979 13.108 1.00 0.00 H new ATOM 1901 N THR A 119 86.122 11.007 9.531 1.00 0.00 N ATOM 1902 CA THR A 119 86.581 11.997 8.577 1.00 0.00 C ATOM 1903 C THR A 119 86.856 13.335 9.264 1.00 0.00 C ATOM 1904 O THR A 119 86.067 13.794 10.086 1.00 0.00 O ATOM 1905 CB THR A 119 85.533 12.180 7.463 1.00 0.00 C ATOM 1906 OG1 THR A 119 85.122 10.895 6.978 1.00 0.00 O ATOM 1907 CG2 THR A 119 86.087 13.004 6.308 1.00 0.00 C ATOM 0 H THR A 119 85.132 11.075 9.768 1.00 0.00 H new ATOM 0 HA THR A 119 87.514 11.642 8.138 1.00 0.00 H new ATOM 0 HB THR A 119 84.681 12.714 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 119 84.454 11.011 6.270 1.00 0.00 H new ATOM 0 HG21 THR A 119 85.322 13.114 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 119 86.380 13.989 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 119 86.956 12.500 5.885 1.00 0.00 H new ATOM 1915 N GLN A 120 87.977 13.956 8.904 1.00 0.00 N ATOM 1916 CA GLN A 120 88.379 15.250 9.460 1.00 0.00 C ATOM 1917 C GLN A 120 87.614 16.388 8.791 1.00 0.00 C ATOM 1918 O GLN A 120 87.966 17.555 8.955 1.00 0.00 O ATOM 1919 CB GLN A 120 89.871 15.483 9.223 1.00 0.00 C ATOM 1920 CG GLN A 120 90.791 14.449 9.845 1.00 0.00 C ATOM 1921 CD GLN A 120 92.209 14.577 9.321 1.00 0.00 C ATOM 1922 OE1 GLN A 120 92.420 14.970 8.172 1.00 0.00 O ATOM 1923 NE2 GLN A 120 93.187 14.265 10.153 1.00 0.00 N ATOM 0 H GLN A 120 88.633 13.579 8.220 1.00 0.00 H new ATOM 0 HA GLN A 120 88.159 15.234 10.528 1.00 0.00 H new ATOM 0 HB2 GLN A 120 90.053 15.509 8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 120 90.136 16.465 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 120 90.791 14.566 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 120 90.413 13.449 9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 120 92.971 13.943 11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 120 94.158 14.346 9.852 1.00 0.00 H new ATOM 1932 N GLN A 121 86.576 16.032 8.033 1.00 0.00 N ATOM 1933 CA GLN A 121 85.846 16.984 7.196 1.00 0.00 C ATOM 1934 C GLN A 121 86.778 17.538 6.120 1.00 0.00 C ATOM 1935 O GLN A 121 86.623 18.665 5.648 1.00 0.00 O ATOM 1936 CB GLN A 121 85.237 18.111 8.041 1.00 0.00 C ATOM 1937 CG GLN A 121 84.343 17.605 9.163 1.00 0.00 C ATOM 1938 CD GLN A 121 83.260 16.664 8.669 1.00 0.00 C ATOM 1939 OE1 GLN A 121 82.779 16.784 7.542 1.00 0.00 O ATOM 1940 NE2 GLN A 121 82.884 15.707 9.501 1.00 0.00 N ATOM 0 H GLN A 121 86.219 15.078 7.982 1.00 0.00 H new ATOM 0 HA GLN A 121 85.019 16.466 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 121 86.041 18.710 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 121 84.658 18.769 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 121 84.954 17.092 9.905 1.00 0.00 H new ATOM 0 HG3 GLN A 121 83.880 18.455 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 121 83.307 15.641 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 121 82.171 15.035 9.217 1.00 0.00 H new ATOM 1949 N GLY A 122 87.745 16.710 5.745 1.00 0.00 N ATOM 1950 CA GLY A 122 88.698 17.046 4.708 1.00 0.00 C ATOM 1951 C GLY A 122 89.492 15.819 4.317 1.00 0.00 C ATOM 1952 O GLY A 122 89.393 15.332 3.192 1.00 0.00 O ATOM 0 H GLY A 122 87.886 15.787 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 122 88.176 17.444 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 122 89.371 17.828 5.061 1.00 0.00 H new ATOM 1956 N GLY A 123 90.273 15.316 5.264 1.00 0.00 N ATOM 1957 CA GLY A 123 90.920 14.028 5.104 1.00 0.00 C ATOM 1958 C GLY A 123 90.295 13.008 6.034 1.00 0.00 C ATOM 1959 O GLY A 123 89.250 13.279 6.627 1.00 0.00 O ATOM 0 H GLY A 123 90.471 15.783 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 123 90.828 13.693 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 123 91.985 14.119 5.316 1.00 0.00 H new ATOM 1963 N TRP A 124 90.910 11.849 6.182 1.00 0.00 N ATOM 1964 CA TRP A 124 90.394 10.836 7.095 1.00 0.00 C ATOM 1965 C TRP A 124 91.363 10.621 8.249 1.00 0.00 C ATOM 1966 O TRP A 124 92.577 10.689 8.067 1.00 0.00 O ATOM 1967 CB TRP A 124 90.152 9.511 6.366 1.00 0.00 C ATOM 1968 CG TRP A 124 89.122 9.596 5.280 1.00 0.00 C ATOM 1969 CD1 TRP A 124 87.769 9.662 5.441 1.00 0.00 C ATOM 1970 CD2 TRP A 124 89.360 9.608 3.866 1.00 0.00 C ATOM 1971 NE1 TRP A 124 87.151 9.720 4.217 1.00 0.00 N ATOM 1972 CE2 TRP A 124 88.105 9.689 3.234 1.00 0.00 C ATOM 1973 CE3 TRP A 124 90.512 9.560 3.074 1.00 0.00 C ATOM 1974 CZ2 TRP A 124 87.969 9.724 1.849 1.00 0.00 C ATOM 1975 CZ3 TRP A 124 90.375 9.596 1.698 1.00 0.00 C ATOM 1976 CH2 TRP A 124 89.112 9.677 1.098 1.00 0.00 C ATOM 0 H TRP A 124 91.762 11.583 5.687 1.00 0.00 H new ATOM 0 HA TRP A 124 89.442 11.192 7.488 1.00 0.00 H new ATOM 0 HB2 TRP A 124 91.092 9.167 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 124 89.840 8.760 7.092 1.00 0.00 H new ATOM 0 HD1 TRP A 124 87.259 9.668 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 124 86.144 9.777 4.064 1.00 0.00 H new ATOM 0 HE3 TRP A 124 91.490 9.496 3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 86.996 9.786 1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 91.257 9.561 1.076 1.00 0.00 H new ATOM 0 HH2 TRP A 124 89.039 9.703 0.021 1.00 0.00 H new ATOM 1987 N GLU A 125 90.826 10.362 9.430 1.00 0.00 N ATOM 1988 CA GLU A 125 91.644 10.123 10.609 1.00 0.00 C ATOM 1989 C GLU A 125 90.932 9.162 11.551 1.00 0.00 C ATOM 1990 O GLU A 125 89.875 9.482 12.088 1.00 0.00 O ATOM 1991 CB GLU A 125 91.928 11.434 11.342 1.00 0.00 C ATOM 1992 CG GLU A 125 92.910 11.289 12.491 1.00 0.00 C ATOM 1993 CD GLU A 125 92.985 12.530 13.351 1.00 0.00 C ATOM 1994 OE1 GLU A 125 93.173 13.635 12.799 1.00 0.00 O ATOM 1995 OE2 GLU A 125 92.844 12.411 14.585 1.00 0.00 O ATOM 0 H GLU A 125 89.821 10.312 9.599 1.00 0.00 H new ATOM 0 HA GLU A 125 92.589 9.686 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 125 92.320 12.161 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 125 90.990 11.836 11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 125 92.618 10.440 13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 125 93.900 11.067 12.092 1.00 0.00 H new ATOM 2002 N LYS A 126 91.503 7.986 11.741 1.00 0.00 N ATOM 2003 CA LYS A 126 90.931 7.009 12.650 1.00 0.00 C ATOM 2004 C LYS A 126 91.615 7.095 14.009 1.00 0.00 C ATOM 2005 O LYS A 126 92.798 6.773 14.141 1.00 0.00 O ATOM 2006 CB LYS A 126 91.054 5.594 12.079 1.00 0.00 C ATOM 2007 CG LYS A 126 90.418 4.533 12.961 1.00 0.00 C ATOM 2008 CD LYS A 126 90.415 3.168 12.294 1.00 0.00 C ATOM 2009 CE LYS A 126 89.723 2.128 13.163 1.00 0.00 C ATOM 2010 NZ LYS A 126 88.327 2.516 13.497 1.00 0.00 N ATOM 0 H LYS A 126 92.361 7.685 11.279 1.00 0.00 H new ATOM 0 HA LYS A 126 89.871 7.233 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 126 90.588 5.565 11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 126 92.109 5.356 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 126 90.959 4.474 13.905 1.00 0.00 H new ATOM 0 HG3 LYS A 126 89.394 4.824 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 126 89.910 3.233 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 126 91.440 2.855 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 126 89.718 1.169 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 126 90.290 1.990 14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 87.791 1.672 13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 88.335 3.203 14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 87.877 2.945 12.663 1.00 0.00 H new ATOM 2024 N CYS A 127 90.873 7.548 15.007 1.00 0.00 N ATOM 2025 CA CYS A 127 91.408 7.694 16.351 1.00 0.00 C ATOM 2026 C CYS A 127 91.230 6.403 17.147 1.00 0.00 C ATOM 2027 O CYS A 127 90.167 6.152 17.717 1.00 0.00 O ATOM 2028 CB CYS A 127 90.722 8.857 17.070 1.00 0.00 C ATOM 2029 SG CYS A 127 90.776 10.421 16.163 1.00 0.00 S ATOM 0 H CYS A 127 89.895 7.822 14.911 1.00 0.00 H new ATOM 0 HA CYS A 127 92.474 7.906 16.275 1.00 0.00 H new ATOM 0 HB2 CYS A 127 89.681 8.592 17.255 1.00 0.00 H new ATOM 0 HB3 CYS A 127 91.193 8.997 18.043 1.00 0.00 H new ATOM 0 HG CYS A 127 91.998 10.665 15.791 1.00 0.00 H new ATOM 2035 N GLY A 128 92.269 5.577 17.158 1.00 0.00 N ATOM 2036 CA GLY A 128 92.219 4.324 17.890 1.00 0.00 C ATOM 2037 C GLY A 128 91.664 3.184 17.056 1.00 0.00 C ATOM 2038 O GLY A 128 90.832 3.400 16.168 1.00 0.90 O ATOM 0 H GLY A 128 93.148 5.753 16.672 1.00 0.00 H new ATOM 0 HA2 GLY A 128 93.222 4.066 18.230 1.00 0.00 H new ATOM 0 HA3 GLY A 128 91.603 4.452 18.780 1.00 0.00 H new TER 2042 GLY A 128 HETATM 2043 N1A COA A 999 83.932 -0.302 -3.929 1.00 20.00 N HETATM 2044 C2A COA A 999 84.728 -0.719 -2.866 1.00 20.00 C HETATM 2045 N3A COA A 999 84.195 -0.701 -1.578 1.00 20.00 N HETATM 2046 C4A COA A 999 82.927 -0.288 -1.392 1.00 20.00 C HETATM 2047 C5A COA A 999 82.178 0.112 -2.431 1.00 20.00 C HETATM 2048 C6A COA A 999 82.677 0.098 -3.677 1.00 20.00 C HETATM 2049 N6A COA A 999 81.866 0.504 -4.652 1.00 20.00 N HETATM 2050 N7A COA A 999 80.983 0.462 -1.961 1.00 20.00 N HETATM 2051 C8A COA A 999 80.990 0.287 -0.641 1.00 20.00 C HETATM 2052 N9A COA A 999 82.187 -0.174 -0.295 1.00 20.00 N HETATM 2053 C1B COA A 999 82.620 -0.519 1.079 1.00 20.00 C HETATM 2054 C2B COA A 999 82.035 -1.836 1.533 1.00 20.00 C HETATM 2055 O2B COA A 999 81.925 -1.868 2.967 1.00 20.00 O HETATM 2056 C3B COA A 999 83.052 -2.830 1.067 1.00 20.00 C HETATM 2057 O3B COA A 999 83.017 -4.009 1.883 1.00 20.00 O HETATM 2058 P3B COA A 999 81.877 -5.121 1.640 1.00 20.00 P HETATM 2059 O7A COA A 999 82.159 -6.377 2.367 1.00 20.00 O HETATM 2060 O8A COA A 999 81.823 -5.344 0.043 1.00 20.00 O HETATM 2061 O9A COA A 999 80.473 -4.472 2.065 1.00 20.00 O HETATM 2062 C4B COA A 999 84.360 -2.096 1.257 1.00 20.00 C HETATM 2063 O4B COA A 999 84.066 -0.678 1.116 1.00 20.00 O HETATM 2064 C5B COA A 999 85.368 -2.538 0.204 1.00 20.00 C HETATM 2065 O5B COA A 999 86.080 -3.685 0.673 1.00 20.00 O HETATM 2066 P1A COA A 999 87.575 -3.990 0.156 1.00 20.00 P HETATM 2067 O1A COA A 999 88.556 -3.544 1.165 1.00 20.00 O HETATM 2068 O2A COA A 999 87.666 -5.402 -0.309 1.00 20.00 O HETATM 2069 O3A COA A 999 87.723 -3.058 -1.141 1.00 20.00 O HETATM 2070 P2A COA A 999 88.940 -3.307 -2.159 1.00 20.00 P HETATM 2071 O4A COA A 999 88.399 -3.585 -3.513 1.00 20.00 O HETATM 2072 O5A COA A 999 89.878 -4.301 -1.581 1.00 20.00 O HETATM 2073 O6A COA A 999 89.667 -1.873 -2.228 1.00 20.00 O HETATM 2074 CBP COA A 999 89.702 -0.432 -4.186 1.00 20.00 C HETATM 2075 CCP COA A 999 90.438 -1.511 -3.380 1.00 20.00 C HETATM 2076 CDP COA A 999 88.329 -0.963 -4.609 1.00 20.00 C HETATM 2077 CEP COA A 999 89.517 0.816 -3.320 1.00 20.00 C HETATM 2078 CAP COA A 999 90.520 -0.075 -5.437 1.00 20.00 C HETATM 2079 OAP COA A 999 89.709 0.681 -6.343 1.00 20.00 O HETATM 2080 C9P COA A 999 91.749 0.751 -5.034 1.00 20.00 C HETATM 2081 O9P COA A 999 92.631 0.270 -4.322 1.00 20.00 O HETATM 2082 N8P COA A 999 91.779 2.008 -5.500 1.00 20.00 N HETATM 2083 C7P COA A 999 92.512 3.075 -4.800 1.00 20.00 C HETATM 2084 C6P COA A 999 91.602 4.303 -4.616 1.00 20.00 C HETATM 2085 C5P COA A 999 92.783 5.058 -3.990 1.00 20.00 C HETATM 2086 O5P COA A 999 93.541 5.735 -4.688 1.00 20.00 O HETATM 2087 N4P COA A 999 92.909 4.918 -2.656 1.00 20.00 N HETATM 2088 C3P COA A 999 92.701 6.043 -1.711 1.00 20.00 C HETATM 2089 C2P COA A 999 94.199 6.369 -1.794 1.00 20.00 C HETATM 2090 S1P COA A 999 94.701 7.534 -0.475 1.00 20.00 S HETATM 0 HO2A COA A 999 82.346 -2.684 3.309 1.00 20.00 H new HETATM 0 H62A COA A 999 80.916 0.803 -4.433 1.00 20.00 H new HETATM 0 H61A COA A 999 82.195 0.516 -5.617 1.00 20.00 H new HETATM 0 H52A COA A 999 84.855 -2.772 -0.729 1.00 20.00 H new HETATM 0 H51A COA A 999 86.065 -1.727 -0.010 1.00 20.00 H new HETATM 0 H143 COA A 999 88.932 0.562 -2.436 1.00 20.00 H new HETATM 0 H142 COA A 999 90.492 1.194 -3.014 1.00 20.00 H new HETATM 0 H141 COA A 999 88.994 1.582 -3.893 1.00 20.00 H new HETATM 0 H133 COA A 999 88.457 -1.853 -5.224 1.00 20.00 H new HETATM 0 H132 COA A 999 87.748 -1.215 -3.722 1.00 20.00 H new HETATM 0 H131 COA A 999 87.804 -0.199 -5.182 1.00 20.00 H new HETATM 0 H122 COA A 999 91.416 -1.142 -3.072 1.00 20.00 H new HETATM 0 H121 COA A 999 90.610 -2.389 -4.003 1.00 20.00 H new HETATM 0 HS1 COA A 999 95.998 7.620 -0.442 1.00 20.00 H new HETATM 0 HO1 COA A 999 90.174 0.772 -7.201 1.00 20.00 H new HETATM 0 HN8 COA A 999 91.281 2.230 -6.362 1.00 20.00 H new HETATM 0 HN4 COA A 999 93.157 4.003 -2.281 1.00 20.00 H new HETATM 0 H8A COA A 999 80.160 0.487 0.036 1.00 20.00 H new HETATM 0 H72 COA A 999 92.854 2.716 -3.829 1.00 20.00 H new HETATM 0 H71 COA A 999 93.400 3.352 -5.369 1.00 20.00 H new HETATM 0 H62 COA A 999 91.216 4.734 -5.540 1.00 20.00 H new HETATM 0 H61 COA A 999 90.749 4.150 -3.955 1.00 20.00 H new HETATM 0 H4B COA A 999 84.794 -2.309 2.234 1.00 20.00 H new HETATM 0 H3B COA A 999 82.888 -3.164 0.042 1.00 20.00 H new HETATM 0 H32 COA A 999 92.038 6.830 -2.070 1.00 20.00 H new HETATM 0 H31 COA A 999 92.346 5.754 -0.722 1.00 20.00 H new HETATM 0 H2B COA A 999 81.034 -2.023 1.144 1.00 20.00 H new HETATM 0 H2A COA A 999 85.751 -1.054 -3.038 1.00 20.00 H new HETATM 0 H22 COA A 999 94.778 5.450 -1.710 1.00 20.00 H new HETATM 0 H21 COA A 999 94.426 6.801 -2.769 1.00 20.00 H new HETATM 0 H1B COA A 999 82.281 0.288 1.728 1.00 20.00 H new HETATM 0 H10 COA A 999 90.848 -0.993 -5.925 1.00 20.00 H new