USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot -64:sc= 1.25 USER MOD Set 1.2: A 101 MET CE :methyl -171:sc= 0 (180deg=-0.0731) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0288 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00569 (180deg=-0.213) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -65:sc= 0.718 USER MOD Single : A 6 TYR OH : rot -41:sc= 1.29 USER MOD Single : A 7 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 8 THR OG1 : rot -9:sc= 0.811 USER MOD Single : A 16 SER OG : rot 180:sc= 0.191 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -39:sc= -2.09 USER MOD Single : A 27 GLN : amide:sc= -0.28 K(o=-0.28,f=-4.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0693 USER MOD Single : A 32 HIS : no HD1:sc= 0.159 K(o=0.16,f=-7.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.14 K(o=0.14,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.03) USER MOD Single : A 52 TYR OH : rot -130:sc= -0.0862 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00432) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.6!) USER MOD Single : A 88 THR OG1 : rot -59:sc= 1.04 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.523 USER MOD Single : A 92 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 THR OG1 : rot 59:sc= 1.18 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.953 K(o=0.95,f=-3!) USER MOD Single : A 110 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.977 8.379 0.268 1.00 0.00 N ATOM 2 CA MET A 1 8.825 7.416 1.352 1.00 0.00 C ATOM 3 C MET A 1 8.443 6.042 0.818 1.00 0.00 C ATOM 4 O MET A 1 7.563 5.919 -0.035 1.00 0.00 O ATOM 5 CB MET A 1 7.781 7.908 2.353 1.00 0.00 C ATOM 6 CG MET A 1 8.115 9.242 3.007 1.00 0.00 C ATOM 7 SD MET A 1 9.659 9.193 3.938 1.00 0.00 S ATOM 8 CE MET A 1 9.209 8.096 5.280 1.00 0.00 C ATOM 0 H1 MET A 1 9.430 9.242 0.631 1.00 0.00 H new ATOM 0 H2 MET A 1 9.568 7.967 -0.482 1.00 0.00 H new ATOM 0 H3 MET A 1 8.041 8.616 -0.120 1.00 0.00 H new ATOM 0 HA MET A 1 9.785 7.323 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.821 7.997 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.660 7.156 3.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.183 10.012 2.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.302 9.529 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.941 8.184 6.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.223 8.367 5.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.189 7.068 4.919 1.00 0.00 H new ATOM 20 N GLY A 2 9.109 5.009 1.324 1.00 0.00 N ATOM 21 CA GLY A 2 8.889 3.648 0.849 1.00 0.00 C ATOM 22 C GLY A 2 9.607 3.402 -0.471 1.00 0.00 C ATOM 23 O GLY A 2 10.672 3.966 -0.723 1.00 0.00 O ATOM 0 H GLY A 2 9.806 5.089 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.243 2.938 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.821 3.472 0.723 1.00 0.00 H new ATOM 27 N LYS A 3 9.019 2.558 -1.310 1.00 0.00 N ATOM 28 CA LYS A 3 9.596 2.243 -2.612 1.00 0.00 C ATOM 29 C LYS A 3 8.550 2.332 -3.715 1.00 0.00 C ATOM 30 O LYS A 3 8.238 1.337 -4.370 1.00 0.00 O ATOM 31 CB LYS A 3 10.226 0.850 -2.595 1.00 0.00 C ATOM 32 CG LYS A 3 11.411 0.706 -1.650 1.00 0.00 C ATOM 33 CD LYS A 3 12.009 -0.691 -1.720 1.00 0.00 C ATOM 34 CE LYS A 3 13.193 -0.836 -0.776 1.00 0.00 C ATOM 35 NZ LYS A 3 13.775 -2.205 -0.818 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.141 2.078 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 3 10.372 2.980 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.463 0.123 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.550 0.599 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.173 1.443 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.092 0.916 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.247 -1.428 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.328 -0.901 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.960 -0.108 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.875 -0.608 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.579 -2.261 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.052 -2.898 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.102 -2.414 -1.783 1.00 0.00 H new ATOM 49 N ASP A 4 8.010 3.529 -3.917 1.00 0.00 N ATOM 50 CA ASP A 4 6.997 3.749 -4.942 1.00 0.00 C ATOM 51 C ASP A 4 7.626 3.857 -6.325 1.00 0.00 C ATOM 52 O ASP A 4 8.764 3.438 -6.534 1.00 0.00 O ATOM 53 CB ASP A 4 6.196 5.018 -4.639 1.00 0.00 C ATOM 54 CG ASP A 4 7.020 6.289 -4.785 1.00 0.00 C ATOM 55 OD1 ASP A 4 7.983 6.269 -5.515 1.00 0.00 O ATOM 56 OD2 ASP A 4 6.680 7.268 -4.165 1.00 0.00 O1- ATOM 0 H ASP A 4 8.257 4.362 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 4 6.326 2.890 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.338 5.069 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.804 4.960 -3.624 1.00 0.00 H new ATOM 61 N TYR A 5 6.879 4.421 -7.267 1.00 0.00 N ATOM 62 CA TYR A 5 7.216 4.311 -8.681 1.00 0.00 C ATOM 63 C TYR A 5 8.576 4.932 -8.972 1.00 0.00 C ATOM 64 O TYR A 5 9.311 4.464 -9.841 1.00 0.00 O ATOM 65 CB TYR A 5 6.137 4.970 -9.542 1.00 0.00 C ATOM 66 CG TYR A 5 4.742 4.446 -9.281 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.549 3.414 -8.375 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.658 4.997 -9.947 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.275 2.935 -8.135 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.385 4.518 -9.708 1.00 0.00 C ATOM 71 CZ TYR A 5 2.191 3.491 -8.806 1.00 0.00 C ATOM 72 OH TYR A 5 0.923 3.014 -8.568 1.00 0.00 O ATOM 0 H TYR A 5 6.034 4.960 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 5 7.267 3.251 -8.931 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.150 6.045 -9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.381 4.818 -10.593 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.394 2.985 -7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.809 5.801 -10.653 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.122 2.132 -7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.541 4.947 -10.227 1.00 0.00 H new ATOM 0 HH TYR A 5 0.861 2.084 -8.872 1.00 0.00 H new ATOM 82 N TYR A 6 8.906 5.991 -8.240 1.00 0.00 N ATOM 83 CA TYR A 6 10.179 6.680 -8.418 1.00 0.00 C ATOM 84 C TYR A 6 11.346 5.803 -7.983 1.00 0.00 C ATOM 85 O TYR A 6 12.448 5.907 -8.522 1.00 0.00 O ATOM 86 CB TYR A 6 10.187 7.999 -7.642 1.00 0.00 C ATOM 87 CG TYR A 6 9.229 9.035 -8.187 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.464 9.798 -7.317 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.116 9.221 -9.556 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.589 10.744 -7.815 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.241 10.168 -10.055 1.00 0.00 C ATOM 92 CZ TYR A 6 7.480 10.927 -9.189 1.00 0.00 C ATOM 93 OH TYR A 6 6.609 11.869 -9.685 1.00 0.00 O ATOM 0 H TYR A 6 8.308 6.391 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 6 10.297 6.896 -9.480 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.936 7.798 -6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.196 8.410 -7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.552 9.653 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.711 8.626 -10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.992 11.339 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.153 10.314 -11.121 1.00 0.00 H new ATOM 0 HH TYR A 6 5.775 11.846 -9.171 1.00 0.00 H new ATOM 103 N GLN A 7 11.097 4.939 -7.005 1.00 0.00 N ATOM 104 CA GLN A 7 12.122 4.030 -6.507 1.00 0.00 C ATOM 105 C GLN A 7 12.171 2.750 -7.333 1.00 0.00 C ATOM 106 O GLN A 7 13.074 1.930 -7.171 1.00 0.00 O ATOM 107 CB GLN A 7 11.871 3.693 -5.035 1.00 0.00 C ATOM 108 CG GLN A 7 11.927 4.891 -4.104 1.00 0.00 C ATOM 109 CD GLN A 7 13.276 5.584 -4.132 1.00 0.00 C ATOM 110 OE1 GLN A 7 14.316 4.955 -3.915 1.00 0.00 O ATOM 111 NE2 GLN A 7 13.269 6.884 -4.400 1.00 0.00 N ATOM 0 H GLN A 7 10.193 4.849 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 7 13.085 4.533 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.893 3.221 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.610 2.960 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.150 5.602 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.709 4.567 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.386 7.364 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.147 7.403 -4.433 1.00 0.00 H new ATOM 120 N THR A 8 11.194 2.586 -8.219 1.00 0.00 N ATOM 121 CA THR A 8 11.235 1.523 -9.217 1.00 0.00 C ATOM 122 C THR A 8 11.868 2.011 -10.514 1.00 0.00 C ATOM 123 O THR A 8 12.427 1.224 -11.277 1.00 0.00 O ATOM 124 CB THR A 8 9.824 0.977 -9.503 1.00 0.00 C ATOM 125 OG1 THR A 8 9.011 2.016 -10.062 1.00 0.00 O ATOM 126 CG2 THR A 8 9.180 0.467 -8.223 1.00 0.00 C ATOM 0 H THR A 8 10.363 3.176 -8.266 1.00 0.00 H new ATOM 0 HA THR A 8 11.847 0.719 -8.809 1.00 0.00 H new ATOM 0 HB THR A 8 9.907 0.151 -10.210 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.485 2.872 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.183 0.085 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.790 -0.332 -7.802 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.104 1.283 -7.504 1.00 0.00 H new ATOM 134 N LEU A 9 11.776 3.314 -10.758 1.00 0.00 N ATOM 135 CA LEU A 9 12.514 3.943 -11.848 1.00 0.00 C ATOM 136 C LEU A 9 13.925 4.317 -11.415 1.00 0.00 C ATOM 137 O LEU A 9 14.840 4.383 -12.236 1.00 0.00 O ATOM 138 CB LEU A 9 11.773 5.195 -12.335 1.00 0.00 C ATOM 139 CG LEU A 9 10.408 4.947 -12.990 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.732 6.282 -13.275 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.597 4.147 -14.270 1.00 0.00 C ATOM 0 H LEU A 9 11.197 3.955 -10.216 1.00 0.00 H new ATOM 0 HA LEU A 9 12.585 3.223 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.632 5.865 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.409 5.716 -13.050 1.00 0.00 H new ATOM 0 HG LEU A 9 9.770 4.374 -12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.762 6.107 -13.740 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.593 6.826 -12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.356 6.870 -13.948 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.627 3.971 -14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.233 4.705 -14.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.066 3.191 -14.036 1.00 0.00 H new ATOM 153 N GLY A 10 14.096 4.560 -10.119 1.00 0.00 N ATOM 154 CA GLY A 10 15.400 4.918 -9.573 1.00 0.00 C ATOM 155 C GLY A 10 15.632 6.422 -9.644 1.00 0.00 C ATOM 156 O GLY A 10 16.765 6.879 -9.795 1.00 0.00 O ATOM 0 H GLY A 10 13.347 4.515 -9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.467 4.585 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.184 4.400 -10.126 1.00 0.00 H new ATOM 160 N LEU A 11 14.551 7.189 -9.533 1.00 0.00 N ATOM 161 CA LEU A 11 14.627 8.640 -9.644 1.00 0.00 C ATOM 162 C LEU A 11 14.209 9.315 -8.345 1.00 0.00 C ATOM 163 O LEU A 11 13.574 8.697 -7.490 1.00 0.00 O ATOM 164 CB LEU A 11 13.735 9.131 -10.792 1.00 0.00 C ATOM 165 CG LEU A 11 14.071 8.573 -12.181 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.058 9.089 -13.194 1.00 0.00 C ATOM 167 CD2 LEU A 11 15.485 8.983 -12.565 1.00 0.00 C ATOM 0 H LEU A 11 13.612 6.828 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 11 15.664 8.905 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.701 8.876 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.794 10.219 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 11 14.021 7.484 -12.167 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.296 8.693 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.058 8.766 -12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.094 10.178 -13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.723 8.586 -13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.556 10.071 -12.584 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.190 8.586 -11.834 1.00 0.00 H new ATOM 179 N ALA A 12 14.570 10.586 -8.200 1.00 0.00 N ATOM 180 CA ALA A 12 14.008 11.427 -7.152 1.00 0.00 C ATOM 181 C ALA A 12 12.638 11.963 -7.550 1.00 0.00 C ATOM 182 O ALA A 12 12.352 12.140 -8.734 1.00 0.00 O ATOM 183 CB ALA A 12 14.953 12.576 -6.831 1.00 0.00 C ATOM 0 H ALA A 12 15.251 11.056 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 12 13.883 10.814 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.519 13.196 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.909 12.177 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.109 13.180 -7.725 1.00 0.00 H new ATOM 189 N ARG A 13 11.797 12.220 -6.554 1.00 0.00 N ATOM 190 CA ARG A 13 10.456 12.737 -6.799 1.00 0.00 C ATOM 191 C ARG A 13 10.490 13.933 -7.742 1.00 0.00 C ATOM 192 O ARG A 13 9.537 14.183 -8.479 1.00 0.00 O ATOM 193 CB ARG A 13 9.792 13.145 -5.493 1.00 0.00 C ATOM 194 CG ARG A 13 9.350 11.988 -4.611 1.00 0.00 C ATOM 195 CD ARG A 13 8.802 12.463 -3.315 1.00 0.00 C ATOM 196 NE ARG A 13 7.617 13.288 -3.497 1.00 0.00 N ATOM 197 CZ ARG A 13 6.364 12.808 -3.624 1.00 0.00 C ATOM 198 NH1 ARG A 13 6.148 11.512 -3.586 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 5.352 13.643 -3.786 1.00 0.00 N ATOM 0 H ARG A 13 12.021 12.079 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 13 9.878 11.939 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.486 13.769 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.923 13.762 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.594 11.401 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.197 11.326 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.555 11.605 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.565 13.035 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 13 7.743 14.300 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.929 10.868 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.199 11.150 -3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.520 14.649 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.403 13.282 -3.882 1.00 0.00 H new ATOM 213 N GLY A 14 11.596 14.670 -7.715 1.00 0.00 N ATOM 214 CA GLY A 14 11.672 15.964 -8.385 1.00 0.00 C ATOM 215 C GLY A 14 12.489 15.872 -9.667 1.00 0.00 C ATOM 216 O GLY A 14 13.027 16.871 -10.143 1.00 0.00 O ATOM 0 H GLY A 14 12.453 14.393 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.667 16.317 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.122 16.697 -7.716 1.00 0.00 H new ATOM 220 N ALA A 15 12.578 14.668 -10.222 1.00 0.00 N ATOM 221 CA ALA A 15 13.279 14.456 -11.482 1.00 0.00 C ATOM 222 C ALA A 15 12.537 15.108 -12.642 1.00 0.00 C ATOM 223 O ALA A 15 11.403 15.561 -12.488 1.00 0.00 O ATOM 224 CB ALA A 15 13.462 12.968 -11.743 1.00 0.00 C ATOM 0 H ALA A 15 12.173 13.824 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 15 14.260 14.924 -11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.987 12.826 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.044 12.526 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.486 12.485 -11.794 1.00 0.00 H new ATOM 230 N SER A 16 13.184 15.154 -13.801 1.00 0.00 N ATOM 231 CA SER A 16 12.611 15.804 -14.974 1.00 0.00 C ATOM 232 C SER A 16 11.891 14.799 -15.864 1.00 0.00 C ATOM 233 O SER A 16 12.171 13.601 -15.816 1.00 0.00 O ATOM 234 CB SER A 16 13.696 16.508 -15.763 1.00 0.00 C ATOM 235 OG SER A 16 14.579 15.583 -16.336 1.00 0.00 O ATOM 0 H SER A 16 14.107 14.748 -13.954 1.00 0.00 H new ATOM 0 HA SER A 16 11.882 16.538 -14.630 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.244 17.118 -16.545 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.246 17.184 -15.109 1.00 0.00 H new ATOM 0 HG SER A 16 15.270 16.060 -16.842 1.00 0.00 H new ATOM 241 N ASP A 17 10.963 15.293 -16.676 1.00 0.00 N ATOM 242 CA ASP A 17 10.217 14.442 -17.595 1.00 0.00 C ATOM 243 C ASP A 17 11.147 13.748 -18.581 1.00 0.00 C ATOM 244 O ASP A 17 10.911 12.605 -18.974 1.00 0.00 O ATOM 245 CB ASP A 17 9.173 15.262 -18.358 1.00 0.00 C ATOM 246 CG ASP A 17 8.029 15.735 -17.472 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.937 15.278 -16.358 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.258 16.550 -17.918 1.00 0.00 O1- ATOM 0 H ASP A 17 10.709 16.280 -16.716 1.00 0.00 H new ATOM 0 HA ASP A 17 9.711 13.680 -17.003 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.658 16.127 -18.810 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.770 14.660 -19.173 1.00 0.00 H new ATOM 253 N GLU A 18 12.205 14.445 -18.980 1.00 0.00 N ATOM 254 CA GLU A 18 13.212 13.872 -19.866 1.00 0.00 C ATOM 255 C GLU A 18 13.927 12.702 -19.202 1.00 0.00 C ATOM 256 O GLU A 18 14.106 11.646 -19.808 1.00 0.00 O ATOM 257 CB GLU A 18 14.229 14.937 -20.278 1.00 0.00 C ATOM 258 CG GLU A 18 15.295 14.447 -21.247 1.00 0.00 C ATOM 259 CD GLU A 18 16.229 15.539 -21.690 1.00 0.00 C ATOM 260 OE1 GLU A 18 16.066 16.650 -21.249 1.00 0.00 O ATOM 261 OE2 GLU A 18 17.108 15.260 -22.474 1.00 0.00 O1- ATOM 0 H GLU A 18 12.388 15.410 -18.703 1.00 0.00 H new ATOM 0 HA GLU A 18 12.702 13.503 -20.756 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.698 15.772 -20.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.718 15.321 -19.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.872 13.652 -20.774 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.812 14.012 -22.122 1.00 0.00 H new ATOM 268 N GLU A 19 14.336 12.897 -17.953 1.00 0.00 N ATOM 269 CA GLU A 19 15.025 11.855 -17.200 1.00 0.00 C ATOM 270 C GLU A 19 14.085 10.702 -16.870 1.00 0.00 C ATOM 271 O GLU A 19 14.503 9.545 -16.815 1.00 0.00 O ATOM 272 CB GLU A 19 15.615 12.430 -15.911 1.00 0.00 C ATOM 273 CG GLU A 19 16.449 11.443 -15.107 1.00 0.00 C ATOM 274 CD GLU A 19 17.657 10.951 -15.855 1.00 0.00 C ATOM 275 OE1 GLU A 19 18.214 11.710 -16.612 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.023 9.814 -15.670 1.00 0.00 O1- ATOM 0 H GLU A 19 14.202 13.768 -17.440 1.00 0.00 H new ATOM 0 HA GLU A 19 15.833 11.472 -17.823 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.235 13.291 -16.162 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.801 12.795 -15.284 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.771 11.918 -14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.828 10.591 -14.830 1.00 0.00 H new ATOM 283 N ILE A 20 12.816 11.025 -16.651 1.00 0.00 N ATOM 284 CA ILE A 20 11.785 10.008 -16.482 1.00 0.00 C ATOM 285 C ILE A 20 11.664 9.136 -17.726 1.00 0.00 C ATOM 286 O ILE A 20 11.478 7.922 -17.629 1.00 0.00 O ATOM 287 CB ILE A 20 10.421 10.653 -16.173 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.413 11.229 -14.754 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.301 9.639 -16.346 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.243 12.144 -14.473 1.00 0.00 C ATOM 0 H ILE A 20 12.476 11.984 -16.586 1.00 0.00 H new ATOM 0 HA ILE A 20 12.082 9.382 -15.640 1.00 0.00 H new ATOM 0 HB ILE A 20 10.256 11.469 -16.877 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.399 10.407 -14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.340 11.779 -14.590 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.344 10.112 -16.124 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.296 9.275 -17.373 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.459 8.803 -15.665 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.307 12.512 -13.449 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.266 12.987 -15.164 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.311 11.594 -14.603 1.00 0.00 H new ATOM 302 N LYS A 21 11.770 9.761 -18.894 1.00 0.00 N ATOM 303 CA LYS A 21 11.773 9.031 -20.156 1.00 0.00 C ATOM 304 C LYS A 21 13.011 8.151 -20.280 1.00 0.00 C ATOM 305 O LYS A 21 12.943 7.041 -20.809 1.00 0.00 O ATOM 306 CB LYS A 21 11.698 10.002 -21.335 1.00 0.00 C ATOM 307 CG LYS A 21 10.341 10.668 -21.516 1.00 0.00 C ATOM 308 CD LYS A 21 10.361 11.659 -22.671 1.00 0.00 C ATOM 309 CE LYS A 21 9.009 12.333 -22.847 1.00 0.00 C ATOM 310 NZ LYS A 21 9.024 13.332 -23.950 1.00 0.00 N1+ ATOM 0 H LYS A 21 11.855 10.773 -18.993 1.00 0.00 H new ATOM 0 HA LYS A 21 10.894 8.386 -20.171 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.454 10.776 -21.201 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.950 9.465 -22.249 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.582 9.908 -21.700 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.061 11.183 -20.597 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.125 12.415 -22.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.634 11.142 -23.591 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.251 11.577 -23.053 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.725 12.824 -21.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.084 13.768 -24.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.729 14.068 -23.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.270 12.859 -24.843 1.00 0.00 H new ATOM 324 N ARG A 22 14.139 8.652 -19.789 1.00 0.00 N ATOM 325 CA ARG A 22 15.375 7.879 -19.767 1.00 0.00 C ATOM 326 C ARG A 22 15.261 6.684 -18.829 1.00 0.00 C ATOM 327 O ARG A 22 15.564 5.553 -19.209 1.00 0.00 O ATOM 328 CB ARG A 22 16.545 8.750 -19.333 1.00 0.00 C ATOM 329 CG ARG A 22 16.951 9.820 -20.334 1.00 0.00 C ATOM 330 CD ARG A 22 17.983 10.730 -19.777 1.00 0.00 C ATOM 331 NE ARG A 22 18.347 11.779 -20.717 1.00 0.00 N ATOM 332 CZ ARG A 22 18.994 12.913 -20.384 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.342 13.129 -19.135 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.279 13.808 -21.314 1.00 0.00 N ATOM 0 H ARG A 22 14.223 9.591 -19.400 1.00 0.00 H new ATOM 0 HA ARG A 22 15.551 7.515 -20.779 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.289 9.233 -18.390 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.405 8.109 -19.140 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.333 9.346 -21.238 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.074 10.399 -20.624 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.611 11.180 -18.857 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.871 10.154 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 22 18.095 11.647 -21.696 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.122 12.438 -18.418 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.832 13.988 -18.883 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.009 13.640 -22.283 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.769 14.667 -21.062 1.00 0.00 H new ATOM 348 N ALA A 23 14.820 6.941 -17.603 1.00 0.00 N ATOM 349 CA ALA A 23 14.563 5.876 -16.641 1.00 0.00 C ATOM 350 C ALA A 23 13.532 4.889 -17.174 1.00 0.00 C ATOM 351 O ALA A 23 13.638 3.683 -16.951 1.00 0.00 O ATOM 352 CB ALA A 23 14.101 6.459 -15.315 1.00 0.00 C ATOM 0 H ALA A 23 14.633 7.880 -17.251 1.00 0.00 H new ATOM 0 HA ALA A 23 15.496 5.335 -16.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.913 5.651 -14.608 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.874 7.117 -14.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.184 7.028 -15.467 1.00 0.00 H new ATOM 358 N TYR A 24 12.534 5.408 -17.881 1.00 0.00 N ATOM 359 CA TYR A 24 11.521 4.569 -18.509 1.00 0.00 C ATOM 360 C TYR A 24 12.136 3.663 -19.567 1.00 0.00 C ATOM 361 O TYR A 24 11.837 2.471 -19.627 1.00 0.00 O ATOM 362 CB TYR A 24 10.417 5.432 -19.124 1.00 0.00 C ATOM 363 CG TYR A 24 9.377 4.640 -19.886 1.00 0.00 C ATOM 364 CD1 TYR A 24 8.633 3.667 -19.235 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.168 4.886 -21.235 1.00 0.00 C ATOM 366 CE1 TYR A 24 7.683 2.944 -19.930 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.218 4.164 -21.930 1.00 0.00 C ATOM 368 CZ TYR A 24 7.477 3.196 -21.282 1.00 0.00 C ATOM 369 OH TYR A 24 6.531 2.475 -21.975 1.00 0.00 O ATOM 0 H TYR A 24 12.405 6.408 -18.033 1.00 0.00 H new ATOM 0 HA TYR A 24 11.083 3.937 -17.736 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.923 5.994 -18.331 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.870 6.161 -19.796 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.796 3.475 -18.185 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.749 5.643 -21.742 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.102 2.186 -19.425 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.055 4.356 -22.980 1.00 0.00 H new ATOM 0 HH TYR A 24 6.549 1.541 -21.678 1.00 0.00 H new ATOM 379 N ARG A 25 12.996 4.236 -20.402 1.00 0.00 N ATOM 380 CA ARG A 25 13.772 3.455 -21.358 1.00 0.00 C ATOM 381 C ARG A 25 14.500 2.307 -20.670 1.00 0.00 C ATOM 382 O ARG A 25 14.299 1.140 -21.008 1.00 0.00 O ATOM 383 CB ARG A 25 14.784 4.337 -22.075 1.00 0.00 C ATOM 384 CG ARG A 25 15.666 3.613 -23.079 1.00 0.00 C ATOM 385 CD ARG A 25 16.764 4.483 -23.573 1.00 0.00 C ATOM 386 NE ARG A 25 17.705 4.821 -22.516 1.00 0.00 N ATOM 387 CZ ARG A 25 18.780 5.617 -22.675 1.00 0.00 C ATOM 388 NH1 ARG A 25 19.037 6.149 -23.849 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.576 5.864 -21.649 1.00 0.00 N ATOM 0 H ARG A 25 13.173 5.240 -20.436 1.00 0.00 H new ATOM 0 HA ARG A 25 13.074 3.041 -22.086 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.248 5.133 -22.592 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.422 4.813 -21.330 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.089 2.721 -22.616 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.060 3.278 -23.921 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.292 3.977 -24.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.343 5.398 -23.990 1.00 0.00 H new ATOM 0 HE ARG A 25 17.539 4.428 -21.590 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.422 5.959 -24.640 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.851 6.752 -23.969 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.376 5.452 -20.738 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.390 6.467 -21.769 1.00 0.00 H new ATOM 403 N ARG A 26 15.348 2.645 -19.705 1.00 0.00 N ATOM 404 CA ARG A 26 16.214 1.661 -19.067 1.00 0.00 C ATOM 405 C ARG A 26 15.400 0.541 -18.433 1.00 0.00 C ATOM 406 O ARG A 26 15.762 -0.632 -18.525 1.00 0.00 O ATOM 407 CB ARG A 26 17.079 2.320 -18.003 1.00 0.00 C ATOM 408 CG ARG A 26 18.163 3.241 -18.540 1.00 0.00 C ATOM 409 CD ARG A 26 19.127 3.633 -17.480 1.00 0.00 C ATOM 410 NE ARG A 26 18.521 4.516 -16.496 1.00 0.00 N ATOM 411 CZ ARG A 26 18.512 5.861 -16.579 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.078 6.461 -17.603 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.934 6.577 -15.630 1.00 0.00 N ATOM 0 H ARG A 26 15.454 3.594 -19.347 1.00 0.00 H new ATOM 0 HA ARG A 26 16.853 1.236 -19.841 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.435 2.892 -17.335 1.00 0.00 H new ATOM 0 HB3 ARG A 26 17.549 1.540 -17.403 1.00 0.00 H new ATOM 0 HG2 ARG A 26 18.696 2.742 -19.350 1.00 0.00 H new ATOM 0 HG3 ARG A 26 17.704 4.135 -18.963 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.503 2.739 -16.983 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.984 4.130 -17.934 1.00 0.00 H new ATOM 0 HE ARG A 26 18.072 4.087 -15.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 19.524 5.908 -18.335 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.071 7.479 -17.665 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.495 6.111 -14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.927 7.595 -15.692 1.00 0.00 H new ATOM 427 N GLN A 27 14.298 0.908 -17.788 1.00 0.00 N ATOM 428 CA GLN A 27 13.501 -0.046 -17.026 1.00 0.00 C ATOM 429 C GLN A 27 12.686 -0.943 -17.948 1.00 0.00 C ATOM 430 O GLN A 27 12.512 -2.132 -17.680 1.00 0.00 O ATOM 431 CB GLN A 27 12.573 0.686 -16.053 1.00 0.00 C ATOM 432 CG GLN A 27 13.287 1.334 -14.879 1.00 0.00 C ATOM 433 CD GLN A 27 14.039 0.325 -14.032 1.00 0.00 C ATOM 434 OE1 GLN A 27 13.510 -0.735 -13.687 1.00 0.00 O ATOM 435 NE2 GLN A 27 15.281 0.648 -13.691 1.00 0.00 N ATOM 0 H GLN A 27 13.936 1.861 -17.778 1.00 0.00 H new ATOM 0 HA GLN A 27 14.188 -0.673 -16.457 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.025 1.454 -16.599 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.836 -0.020 -15.671 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.985 2.084 -15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.559 1.856 -14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.680 1.535 -13.998 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.836 0.009 -13.122 1.00 0.00 H new ATOM 444 N ALA A 28 12.186 -0.367 -19.036 1.00 0.00 N ATOM 445 CA ALA A 28 11.529 -1.143 -20.081 1.00 0.00 C ATOM 446 C ALA A 28 12.516 -2.063 -20.787 1.00 0.00 C ATOM 447 O ALA A 28 12.148 -3.137 -21.262 1.00 0.00 O ATOM 448 CB ALA A 28 10.858 -0.217 -21.085 1.00 0.00 C ATOM 0 H ALA A 28 12.223 0.636 -19.217 1.00 0.00 H new ATOM 0 HA ALA A 28 10.767 -1.764 -19.610 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.372 -0.811 -21.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.113 0.394 -20.575 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.608 0.430 -21.541 1.00 0.00 H new ATOM 454 N LEU A 29 13.772 -1.636 -20.852 1.00 0.00 N ATOM 455 CA LEU A 29 14.856 -2.506 -21.293 1.00 0.00 C ATOM 456 C LEU A 29 15.183 -3.556 -20.239 1.00 0.00 C ATOM 457 O LEU A 29 15.573 -4.677 -20.564 1.00 0.00 O ATOM 458 CB LEU A 29 16.108 -1.678 -21.605 1.00 0.00 C ATOM 459 CG LEU A 29 16.007 -0.753 -22.825 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.233 0.148 -22.883 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.884 -1.591 -24.089 1.00 0.00 C ATOM 0 H LEU A 29 14.065 -0.691 -20.604 1.00 0.00 H new ATOM 0 HA LEU A 29 14.527 -3.018 -22.197 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.347 -1.072 -20.731 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.944 -2.361 -21.758 1.00 0.00 H new ATOM 0 HG LEU A 29 15.121 -0.123 -22.742 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.161 0.805 -23.750 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.286 0.749 -21.975 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.131 -0.464 -22.965 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.812 -0.934 -24.956 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.762 -2.229 -24.189 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.990 -2.211 -24.029 1.00 0.00 H new ATOM 473 N ARG A 30 15.025 -3.185 -18.972 1.00 0.00 N ATOM 474 CA ARG A 30 15.264 -4.106 -17.868 1.00 0.00 C ATOM 475 C ARG A 30 14.276 -5.265 -17.893 1.00 0.00 C ATOM 476 O ARG A 30 14.621 -6.395 -17.549 1.00 0.00 O ATOM 477 CB ARG A 30 15.157 -3.382 -16.534 1.00 0.00 C ATOM 478 CG ARG A 30 15.473 -4.235 -15.317 1.00 0.00 C ATOM 479 CD ARG A 30 15.335 -3.464 -14.054 1.00 0.00 C ATOM 480 NE ARG A 30 15.599 -4.285 -12.884 1.00 0.00 N ATOM 481 CZ ARG A 30 15.286 -3.941 -11.620 1.00 0.00 C ATOM 482 NH1 ARG A 30 14.698 -2.790 -11.379 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 15.567 -4.760 -10.622 1.00 0.00 N ATOM 0 H ARG A 30 14.732 -2.251 -18.685 1.00 0.00 H new ATOM 0 HA ARG A 30 16.273 -4.502 -17.985 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.833 -2.527 -16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.146 -2.988 -16.431 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.805 -5.096 -15.293 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.489 -4.622 -15.398 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.024 -2.620 -14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.328 -3.052 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 30 16.054 -5.186 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.479 -2.158 -12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.461 -2.529 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.021 -5.654 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.329 -4.498 -9.665 1.00 0.00 H new ATOM 497 N TYR A 31 13.045 -4.977 -18.302 1.00 0.00 N ATOM 498 CA TYR A 31 11.987 -5.982 -18.315 1.00 0.00 C ATOM 499 C TYR A 31 11.584 -6.337 -19.740 1.00 0.00 C ATOM 500 O TYR A 31 10.589 -7.028 -19.959 1.00 0.00 O ATOM 501 CB TYR A 31 10.771 -5.489 -17.527 1.00 0.00 C ATOM 502 CG TYR A 31 11.058 -5.224 -16.066 1.00 0.00 C ATOM 503 CD1 TYR A 31 11.053 -3.924 -15.583 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.324 -6.281 -15.209 1.00 0.00 C ATOM 505 CE1 TYR A 31 11.314 -3.681 -14.248 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.586 -6.039 -13.874 1.00 0.00 C ATOM 507 CZ TYR A 31 11.581 -4.745 -13.393 1.00 0.00 C ATOM 508 OH TYR A 31 11.841 -4.505 -12.063 1.00 0.00 O ATOM 0 H TYR A 31 12.755 -4.056 -18.629 1.00 0.00 H new ATOM 0 HA TYR A 31 12.374 -6.882 -17.838 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.399 -4.573 -17.987 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.975 -6.230 -17.603 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.845 -3.101 -16.251 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.326 -7.293 -15.585 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.311 -2.669 -13.870 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.795 -6.862 -13.207 1.00 0.00 H new ATOM 0 HH TYR A 31 12.006 -5.355 -11.603 1.00 0.00 H new ATOM 518 N HIS A 32 12.364 -5.864 -20.706 1.00 0.00 N ATOM 519 CA HIS A 32 12.231 -6.315 -22.086 1.00 0.00 C ATOM 520 C HIS A 32 12.214 -7.836 -22.171 1.00 0.00 C ATOM 521 O HIS A 32 12.964 -8.514 -21.469 1.00 0.00 O ATOM 522 CB HIS A 32 13.373 -5.763 -22.947 1.00 0.00 C ATOM 523 CG HIS A 32 13.148 -5.923 -24.418 1.00 0.00 C ATOM 524 ND1 HIS A 32 13.360 -7.116 -25.077 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.731 -5.042 -25.359 1.00 0.00 C ATOM 526 CE1 HIS A 32 13.082 -6.961 -26.360 1.00 0.00 C ATOM 527 NE2 HIS A 32 12.700 -5.712 -26.556 1.00 0.00 N ATOM 0 H HIS A 32 13.095 -5.168 -20.558 1.00 0.00 H new ATOM 0 HA HIS A 32 11.282 -5.936 -22.465 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.507 -4.705 -22.722 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.300 -6.268 -22.673 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.472 -4.006 -25.197 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.155 -7.726 -27.119 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.426 -5.310 -27.453 1.00 0.00 H new ATOM 535 N PRO A 33 11.355 -8.366 -23.034 1.00 0.00 N ATOM 536 CA PRO A 33 11.176 -9.808 -23.149 1.00 0.00 C ATOM 537 C PRO A 33 12.510 -10.515 -23.347 1.00 0.00 C ATOM 538 O PRO A 33 12.725 -11.612 -22.830 1.00 0.00 O ATOM 539 CB PRO A 33 10.275 -9.947 -24.381 1.00 0.00 C ATOM 540 CG PRO A 33 9.418 -8.728 -24.345 1.00 0.00 C ATOM 541 CD PRO A 33 10.342 -7.633 -23.881 1.00 0.00 C ATOM 0 HA PRO A 33 10.747 -10.262 -22.256 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.860 -9.996 -25.299 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.676 -10.857 -24.336 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.001 -8.506 -25.327 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.577 -8.854 -23.663 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.814 -7.123 -24.721 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.810 -6.875 -23.306 1.00 0.00 H new ATOM 549 N ASP A 34 13.405 -9.880 -24.096 1.00 0.00 N ATOM 550 CA ASP A 34 14.690 -10.483 -24.431 1.00 0.00 C ATOM 551 C ASP A 34 15.735 -10.179 -23.365 1.00 0.00 C ATOM 552 O ASP A 34 16.926 -10.420 -23.564 1.00 0.00 O ATOM 553 CB ASP A 34 15.179 -9.981 -25.792 1.00 0.00 C ATOM 554 CG ASP A 34 14.307 -10.455 -26.947 1.00 0.00 C ATOM 555 OD1 ASP A 34 13.658 -11.462 -26.801 1.00 0.00 O ATOM 556 OD2 ASP A 34 14.300 -9.804 -27.965 1.00 0.00 O1- ATOM 0 H ASP A 34 13.264 -8.947 -24.483 1.00 0.00 H new ATOM 0 HA ASP A 34 14.547 -11.563 -24.477 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.202 -8.891 -25.785 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.202 -10.321 -25.953 1.00 0.00 H new ATOM 561 N LYS A 35 15.282 -9.651 -22.234 1.00 0.00 N ATOM 562 CA LYS A 35 16.186 -9.225 -21.172 1.00 0.00 C ATOM 563 C LYS A 35 15.815 -9.869 -19.842 1.00 0.00 C ATOM 564 O LYS A 35 16.686 -10.247 -19.060 1.00 0.00 O ATOM 565 CB LYS A 35 16.177 -7.701 -21.039 1.00 0.00 C ATOM 566 CG LYS A 35 16.726 -6.962 -22.252 1.00 0.00 C ATOM 567 CD LYS A 35 18.200 -7.271 -22.467 1.00 0.00 C ATOM 568 CE LYS A 35 18.772 -6.465 -23.624 1.00 0.00 C ATOM 569 NZ LYS A 35 20.207 -6.776 -23.864 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.293 -9.507 -22.028 1.00 0.00 H new ATOM 0 HA LYS A 35 17.191 -9.550 -21.440 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.154 -7.370 -20.859 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.762 -7.421 -20.163 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.160 -7.244 -23.140 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.593 -5.889 -22.117 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.757 -7.049 -21.556 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.325 -8.335 -22.666 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.200 -6.673 -24.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.662 -5.401 -23.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.557 -6.206 -24.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.758 -6.554 -23.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.310 -7.786 -24.090 1.00 0.00 H new ATOM 583 N ASN A 36 14.516 -9.991 -19.592 1.00 0.00 N ATOM 584 CA ASN A 36 14.025 -10.491 -18.313 1.00 0.00 C ATOM 585 C ASN A 36 12.724 -11.264 -18.487 1.00 0.00 C ATOM 586 O ASN A 36 11.704 -10.700 -18.884 1.00 0.00 O ATOM 587 CB ASN A 36 13.842 -9.350 -17.329 1.00 0.00 C ATOM 588 CG ASN A 36 13.522 -9.831 -15.941 1.00 0.00 C ATOM 589 OD1 ASN A 36 12.845 -10.851 -15.764 1.00 0.00 O ATOM 590 ND2 ASN A 36 13.994 -9.116 -14.952 1.00 0.00 N ATOM 0 H ASN A 36 13.783 -9.750 -20.259 1.00 0.00 H new ATOM 0 HA ASN A 36 14.771 -11.177 -17.912 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.751 -8.750 -17.301 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.041 -8.699 -17.678 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.808 -9.393 -13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.548 -8.282 -15.145 1.00 0.00 H new ATOM 597 N LYS A 37 12.765 -12.558 -18.185 1.00 0.00 N ATOM 598 CA LYS A 37 11.569 -13.390 -18.218 1.00 0.00 C ATOM 599 C LYS A 37 11.319 -14.050 -16.869 1.00 0.00 C ATOM 600 O LYS A 37 10.805 -15.167 -16.798 1.00 0.00 O ATOM 601 CB LYS A 37 11.688 -14.455 -19.311 1.00 0.00 C ATOM 602 CG LYS A 37 11.752 -13.899 -20.727 1.00 0.00 C ATOM 603 CD LYS A 37 11.735 -15.016 -21.760 1.00 0.00 C ATOM 604 CE LYS A 37 11.813 -14.463 -23.176 1.00 0.00 C ATOM 605 NZ LYS A 37 11.746 -15.541 -24.198 1.00 0.00 N1+ ATOM 0 H LYS A 37 13.615 -13.053 -17.914 1.00 0.00 H new ATOM 0 HA LYS A 37 10.720 -12.744 -18.443 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.583 -15.049 -19.126 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.836 -15.131 -19.237 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.907 -13.231 -20.896 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.658 -13.304 -20.846 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.574 -15.689 -21.584 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.825 -15.605 -21.647 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.996 -13.760 -23.336 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.742 -13.905 -23.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.802 -15.122 -25.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.540 -16.198 -24.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.849 -16.057 -24.100 1.00 0.00 H new ATOM 619 N GLU A 38 11.685 -13.353 -15.799 1.00 0.00 N ATOM 620 CA GLU A 38 11.544 -13.889 -14.450 1.00 0.00 C ATOM 621 C GLU A 38 10.118 -13.728 -13.939 1.00 0.00 C ATOM 622 O GLU A 38 9.532 -12.651 -14.035 1.00 0.00 O ATOM 623 CB GLU A 38 12.520 -13.196 -13.496 1.00 0.00 C ATOM 624 CG GLU A 38 12.495 -13.733 -12.072 1.00 0.00 C ATOM 625 CD GLU A 38 13.474 -13.037 -11.167 1.00 0.00 C ATOM 626 OE1 GLU A 38 14.133 -12.133 -11.620 1.00 0.00 O ATOM 627 OE2 GLU A 38 13.561 -13.410 -10.022 1.00 0.00 O1- ATOM 0 H GLU A 38 12.082 -12.414 -15.840 1.00 0.00 H new ATOM 0 HA GLU A 38 11.776 -14.953 -14.489 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.530 -13.298 -13.892 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.292 -12.130 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.490 -13.623 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.717 -14.800 -12.087 1.00 0.00 H new ATOM 634 N PRO A 39 9.565 -14.808 -13.395 1.00 0.00 N ATOM 635 CA PRO A 39 8.237 -14.767 -12.796 1.00 0.00 C ATOM 636 C PRO A 39 8.135 -13.660 -11.755 1.00 0.00 C ATOM 637 O PRO A 39 8.871 -13.653 -10.768 1.00 0.00 O ATOM 638 CB PRO A 39 8.104 -16.155 -12.159 1.00 0.00 C ATOM 639 CG PRO A 39 8.978 -17.025 -12.996 1.00 0.00 C ATOM 640 CD PRO A 39 10.167 -16.160 -13.321 1.00 0.00 C ATOM 0 HA PRO A 39 7.446 -14.551 -13.514 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.428 -16.148 -11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.070 -16.501 -12.169 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.276 -17.924 -12.457 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.465 -17.351 -13.901 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.936 -16.221 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.635 -16.449 -14.262 1.00 0.00 H new ATOM 648 N GLY A 40 7.217 -12.726 -11.980 1.00 0.00 N ATOM 649 CA GLY A 40 7.020 -11.609 -11.064 1.00 0.00 C ATOM 650 C GLY A 40 7.647 -10.332 -11.609 1.00 0.00 C ATOM 651 O GLY A 40 7.156 -9.232 -11.359 1.00 0.00 O ATOM 0 H GLY A 40 6.597 -12.721 -12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.954 -11.453 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.459 -11.848 -10.095 1.00 0.00 H new ATOM 655 N ALA A 41 8.736 -10.486 -12.355 1.00 0.00 N ATOM 656 CA ALA A 41 9.349 -9.363 -13.055 1.00 0.00 C ATOM 657 C ALA A 41 8.413 -8.795 -14.113 1.00 0.00 C ATOM 658 O ALA A 41 8.436 -7.598 -14.399 1.00 0.00 O ATOM 659 CB ALA A 41 10.666 -9.789 -13.688 1.00 0.00 C ATOM 0 H ALA A 41 9.212 -11.378 -12.490 1.00 0.00 H new ATOM 0 HA ALA A 41 9.546 -8.579 -12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.112 -8.940 -14.207 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.347 -10.138 -12.912 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.484 -10.594 -14.400 1.00 0.00 H new ATOM 665 N GLU A 42 7.588 -9.661 -14.693 1.00 0.00 N ATOM 666 CA GLU A 42 6.503 -9.223 -15.563 1.00 0.00 C ATOM 667 C GLU A 42 5.563 -8.273 -14.833 1.00 0.00 C ATOM 668 O GLU A 42 5.109 -7.278 -15.398 1.00 0.00 O ATOM 669 CB GLU A 42 5.722 -10.428 -16.089 1.00 0.00 C ATOM 670 CG GLU A 42 6.485 -11.286 -17.089 1.00 0.00 C ATOM 671 CD GLU A 42 5.721 -12.509 -17.514 1.00 0.00 C ATOM 672 OE1 GLU A 42 4.733 -12.815 -16.890 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.125 -13.137 -18.464 1.00 0.00 O1- ATOM 0 H GLU A 42 7.651 -10.672 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 42 6.944 -8.689 -16.405 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.428 -11.051 -15.245 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.804 -10.074 -16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.720 -10.687 -17.969 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.434 -11.592 -16.648 1.00 0.00 H new ATOM 680 N GLU A 43 5.271 -8.588 -13.576 1.00 0.00 N ATOM 681 CA GLU A 43 4.473 -7.707 -12.732 1.00 0.00 C ATOM 682 C GLU A 43 5.259 -6.465 -12.332 1.00 0.00 C ATOM 683 O GLU A 43 4.697 -5.378 -12.204 1.00 0.00 O ATOM 684 CB GLU A 43 4.003 -8.451 -11.478 1.00 0.00 C ATOM 685 CG GLU A 43 3.040 -9.597 -11.753 1.00 0.00 C ATOM 686 CD GLU A 43 1.750 -9.142 -12.377 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.162 -8.218 -11.871 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.355 -9.720 -13.361 1.00 0.00 O1- ATOM 0 H GLU A 43 5.575 -9.448 -13.119 1.00 0.00 H new ATOM 0 HA GLU A 43 3.604 -7.391 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.875 -8.843 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.521 -7.740 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.522 -10.319 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.823 -10.114 -10.818 1.00 0.00 H new ATOM 695 N LYS A 44 6.562 -6.634 -12.135 1.00 0.00 N ATOM 696 CA LYS A 44 7.451 -5.506 -11.883 1.00 0.00 C ATOM 697 C LYS A 44 7.574 -4.616 -13.113 1.00 0.00 C ATOM 698 O LYS A 44 7.849 -3.422 -13.003 1.00 0.00 O ATOM 699 CB LYS A 44 8.833 -6.000 -11.452 1.00 0.00 C ATOM 700 CG LYS A 44 8.865 -6.663 -10.082 1.00 0.00 C ATOM 701 CD LYS A 44 10.262 -7.155 -9.738 1.00 0.00 C ATOM 702 CE LYS A 44 10.293 -7.827 -8.373 1.00 0.00 C ATOM 703 NZ LYS A 44 11.651 -8.333 -8.033 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.026 -7.542 -12.145 1.00 0.00 H new ATOM 0 HA LYS A 44 7.018 -4.914 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.200 -6.709 -12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.523 -5.156 -11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.530 -5.954 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.168 -7.501 -10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.600 -7.858 -10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.958 -6.316 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.969 -7.117 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.584 -8.654 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.629 -8.784 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.950 -9.029 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.324 -7.540 -8.020 1.00 0.00 H new ATOM 717 N PHE A 45 7.367 -5.205 -14.287 1.00 0.00 N ATOM 718 CA PHE A 45 7.266 -4.438 -15.523 1.00 0.00 C ATOM 719 C PHE A 45 5.965 -3.648 -15.577 1.00 0.00 C ATOM 720 O PHE A 45 5.938 -2.509 -16.042 1.00 0.00 O ATOM 721 CB PHE A 45 7.358 -5.364 -16.737 1.00 0.00 C ATOM 722 CG PHE A 45 7.513 -4.639 -18.042 1.00 0.00 C ATOM 723 CD1 PHE A 45 7.650 -3.259 -18.073 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.523 -5.334 -19.242 1.00 0.00 C ATOM 725 CE1 PHE A 45 7.794 -2.591 -19.275 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.667 -4.668 -20.444 1.00 0.00 C ATOM 727 CZ PHE A 45 7.803 -3.295 -20.459 1.00 0.00 C ATOM 0 H PHE A 45 7.266 -6.213 -14.408 1.00 0.00 H new ATOM 0 HA PHE A 45 8.098 -3.734 -15.544 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.204 -6.039 -16.604 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.461 -5.982 -16.780 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.644 -2.701 -17.149 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.417 -6.409 -19.237 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.900 -1.516 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.673 -5.222 -21.371 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.916 -2.773 -21.398 1.00 0.00 H new ATOM 737 N LYS A 46 4.887 -4.260 -15.098 1.00 0.00 N ATOM 738 CA LYS A 46 3.622 -3.558 -14.924 1.00 0.00 C ATOM 739 C LYS A 46 3.761 -2.407 -13.936 1.00 0.00 C ATOM 740 O LYS A 46 3.179 -1.339 -14.127 1.00 0.00 O ATOM 741 CB LYS A 46 2.532 -4.525 -14.456 1.00 0.00 C ATOM 742 CG LYS A 46 2.085 -5.527 -15.512 1.00 0.00 C ATOM 743 CD LYS A 46 1.042 -6.485 -14.956 1.00 0.00 C ATOM 744 CE LYS A 46 0.652 -7.538 -15.984 1.00 0.00 C ATOM 745 NZ LYS A 46 -0.265 -8.561 -15.412 1.00 0.00 N1+ ATOM 0 H LYS A 46 4.865 -5.242 -14.823 1.00 0.00 H new ATOM 0 HA LYS A 46 3.336 -3.144 -15.891 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.897 -5.071 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.666 -3.948 -14.131 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.673 -4.996 -16.370 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.947 -6.091 -15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.433 -6.973 -14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.157 -5.926 -14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.171 -7.054 -16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.550 -8.027 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.533 -9.240 -16.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.215 -9.064 -14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.119 -8.095 -15.044 1.00 0.00 H new ATOM 759 N GLU A 47 4.535 -2.632 -12.880 1.00 0.00 N ATOM 760 CA GLU A 47 4.856 -1.575 -11.927 1.00 0.00 C ATOM 761 C GLU A 47 5.535 -0.399 -12.617 1.00 0.00 C ATOM 762 O GLU A 47 5.222 0.759 -12.341 1.00 0.00 O ATOM 763 CB GLU A 47 5.757 -2.117 -10.815 1.00 0.00 C ATOM 764 CG GLU A 47 5.052 -3.035 -9.826 1.00 0.00 C ATOM 765 CD GLU A 47 5.979 -3.586 -8.777 1.00 0.00 C ATOM 766 OE1 GLU A 47 7.168 -3.445 -8.930 1.00 0.00 O ATOM 767 OE2 GLU A 47 5.495 -4.148 -7.823 1.00 0.00 O1- ATOM 0 H GLU A 47 4.952 -3.537 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 47 3.921 -1.223 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.586 -2.660 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.186 -1.276 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.246 -2.486 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.593 -3.861 -10.369 1.00 0.00 H new ATOM 774 N ILE A 48 6.467 -0.703 -13.514 1.00 0.00 N ATOM 775 CA ILE A 48 7.081 0.317 -14.357 1.00 0.00 C ATOM 776 C ILE A 48 6.070 0.908 -15.331 1.00 0.00 C ATOM 777 O ILE A 48 6.029 2.120 -15.539 1.00 0.00 O ATOM 778 CB ILE A 48 8.271 -0.264 -15.141 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.377 -0.709 -14.181 1.00 0.00 C ATOM 780 CG2 ILE A 48 8.804 0.760 -16.133 1.00 0.00 C ATOM 781 CD1 ILE A 48 9.933 0.409 -13.329 1.00 0.00 C ATOM 0 H ILE A 48 6.814 -1.648 -13.676 1.00 0.00 H new ATOM 0 HA ILE A 48 7.439 1.109 -13.700 1.00 0.00 H new ATOM 0 HB ILE A 48 7.927 -1.136 -15.698 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.986 -1.490 -13.529 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.189 -1.152 -14.758 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.645 0.334 -16.679 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.015 1.031 -16.835 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.134 1.649 -15.596 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.711 0.016 -12.675 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.355 1.181 -13.972 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.134 0.838 -12.724 1.00 0.00 H new ATOM 793 N ALA A 49 5.253 0.044 -15.925 1.00 0.00 N ATOM 794 CA ALA A 49 4.164 0.488 -16.787 1.00 0.00 C ATOM 795 C ALA A 49 3.354 1.596 -16.126 1.00 0.00 C ATOM 796 O ALA A 49 3.153 2.662 -16.707 1.00 0.00 O ATOM 797 CB ALA A 49 3.263 -0.683 -17.148 1.00 0.00 C ATOM 0 H ALA A 49 5.325 -0.969 -15.825 1.00 0.00 H new ATOM 0 HA ALA A 49 4.602 0.891 -17.701 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.455 -0.335 -17.792 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.844 -1.441 -17.673 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.843 -1.113 -16.239 1.00 0.00 H new ATOM 803 N GLU A 50 2.892 1.337 -14.908 1.00 0.00 N ATOM 804 CA GLU A 50 2.139 2.327 -14.147 1.00 0.00 C ATOM 805 C GLU A 50 3.030 3.486 -13.717 1.00 0.00 C ATOM 806 O GLU A 50 2.571 4.621 -13.592 1.00 0.00 O ATOM 807 CB GLU A 50 1.497 1.681 -12.917 1.00 0.00 C ATOM 808 CG GLU A 50 0.449 2.544 -12.229 1.00 0.00 C ATOM 809 CD GLU A 50 -0.202 1.852 -11.063 1.00 0.00 C ATOM 810 OE1 GLU A 50 0.499 1.266 -10.275 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.406 1.913 -10.961 1.00 0.00 O1- ATOM 0 H GLU A 50 3.026 0.448 -14.426 1.00 0.00 H new ATOM 0 HA GLU A 50 1.355 2.718 -14.795 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.036 0.739 -13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.280 1.439 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.915 3.467 -11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.316 2.824 -12.953 1.00 0.00 H new ATOM 818 N ALA A 51 4.306 3.192 -13.493 1.00 0.00 N ATOM 819 CA ALA A 51 5.269 4.213 -13.096 1.00 0.00 C ATOM 820 C ALA A 51 5.444 5.258 -14.190 1.00 0.00 C ATOM 821 O ALA A 51 5.811 6.401 -13.917 1.00 0.00 O ATOM 822 CB ALA A 51 6.607 3.574 -12.756 1.00 0.00 C ATOM 0 H ALA A 51 4.698 2.254 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 51 4.882 4.715 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.316 4.348 -12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.476 2.870 -11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.990 3.045 -13.629 1.00 0.00 H new ATOM 828 N TYR A 52 5.178 4.862 -15.430 1.00 0.00 N ATOM 829 CA TYR A 52 5.229 5.784 -16.558 1.00 0.00 C ATOM 830 C TYR A 52 3.830 6.175 -17.013 1.00 0.00 C ATOM 831 O TYR A 52 3.632 7.237 -17.603 1.00 0.00 O ATOM 832 CB TYR A 52 6.012 5.167 -17.719 1.00 0.00 C ATOM 833 CG TYR A 52 6.369 6.155 -18.807 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.209 7.223 -18.525 1.00 0.00 C ATOM 835 CD2 TYR A 52 5.859 5.993 -20.086 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.536 8.126 -19.519 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.186 6.896 -21.080 1.00 0.00 C ATOM 838 CZ TYR A 52 7.020 7.958 -20.800 1.00 0.00 C ATOM 839 OH TYR A 52 7.345 8.858 -21.788 1.00 0.00 O ATOM 0 H TYR A 52 4.924 3.906 -15.679 1.00 0.00 H new ATOM 0 HA TYR A 52 5.742 6.688 -16.229 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.928 4.721 -17.331 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.423 4.359 -18.154 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.607 7.349 -17.529 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.206 5.161 -20.306 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.189 8.958 -19.302 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.788 6.770 -22.076 1.00 0.00 H new ATOM 0 HH TYR A 52 6.528 9.162 -22.236 1.00 0.00 H new ATOM 849 N ASP A 53 2.860 5.310 -16.735 1.00 0.00 N ATOM 850 CA ASP A 53 1.452 5.680 -16.831 1.00 0.00 C ATOM 851 C ASP A 53 1.167 6.962 -16.060 1.00 0.00 C ATOM 852 O ASP A 53 0.577 7.901 -16.595 1.00 0.00 O ATOM 853 CB ASP A 53 0.564 4.552 -16.304 1.00 0.00 C ATOM 854 CG ASP A 53 -0.913 4.770 -16.603 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.213 5.402 -17.589 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.728 4.306 -15.843 1.00 0.00 O1- ATOM 0 H ASP A 53 3.023 4.347 -16.441 1.00 0.00 H new ATOM 0 HA ASP A 53 1.226 5.851 -17.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.883 3.608 -16.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.702 4.462 -15.227 1.00 0.00 H new ATOM 861 N VAL A 54 1.587 6.995 -14.800 1.00 0.00 N ATOM 862 CA VAL A 54 1.594 8.232 -14.027 1.00 0.00 C ATOM 863 C VAL A 54 2.317 9.345 -14.774 1.00 0.00 C ATOM 864 O VAL A 54 1.826 10.470 -14.857 1.00 0.00 O ATOM 865 CB VAL A 54 2.274 8.005 -12.664 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.555 9.336 -11.982 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.398 7.124 -11.787 1.00 0.00 C ATOM 0 H VAL A 54 1.927 6.179 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 54 0.558 8.533 -13.873 1.00 0.00 H new ATOM 0 HB VAL A 54 3.226 7.499 -12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.036 9.158 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.213 9.935 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.618 9.870 -11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.886 6.968 -10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.435 7.609 -11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.245 6.162 -12.276 1.00 0.00 H new ATOM 877 N LEU A 55 3.487 9.024 -15.316 1.00 0.00 N ATOM 878 CA LEU A 55 4.452 10.041 -15.713 1.00 0.00 C ATOM 879 C LEU A 55 4.414 10.280 -17.217 1.00 0.00 C ATOM 880 O LEU A 55 5.162 11.103 -17.744 1.00 0.00 O ATOM 881 CB LEU A 55 5.867 9.624 -15.291 1.00 0.00 C ATOM 882 CG LEU A 55 6.053 9.318 -13.800 1.00 0.00 C ATOM 883 CD1 LEU A 55 7.470 8.815 -13.558 1.00 0.00 C ATOM 884 CD2 LEU A 55 5.772 10.573 -12.986 1.00 0.00 C ATOM 0 H LEU A 55 3.790 8.066 -15.490 1.00 0.00 H new ATOM 0 HA LEU A 55 4.183 10.970 -15.210 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.151 8.741 -15.863 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.558 10.419 -15.569 1.00 0.00 H new ATOM 0 HG LEU A 55 5.354 8.542 -13.488 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.603 8.597 -12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.638 7.908 -14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.185 9.579 -13.864 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.904 10.356 -11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.463 11.362 -13.284 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.748 10.901 -13.165 1.00 0.00 H new ATOM 896 N SER A 56 3.536 9.557 -17.904 1.00 0.00 N ATOM 897 CA SER A 56 3.212 9.860 -19.293 1.00 0.00 C ATOM 898 C SER A 56 1.836 10.501 -19.410 1.00 0.00 C ATOM 899 O SER A 56 1.606 11.347 -20.274 1.00 0.00 O ATOM 900 CB SER A 56 3.265 8.596 -20.128 1.00 0.00 C ATOM 901 OG SER A 56 2.264 7.695 -19.739 1.00 0.00 O ATOM 0 H SER A 56 3.035 8.755 -17.520 1.00 0.00 H new ATOM 0 HA SER A 56 3.951 10.570 -19.664 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.144 8.847 -21.182 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.243 8.127 -20.022 1.00 0.00 H new ATOM 0 HG SER A 56 2.423 7.408 -18.816 1.00 0.00 H new ATOM 907 N ASP A 57 0.923 10.093 -18.536 1.00 0.00 N ATOM 908 CA ASP A 57 -0.391 10.721 -18.451 1.00 0.00 C ATOM 909 C ASP A 57 -0.488 11.634 -17.235 1.00 0.00 C ATOM 910 O ASP A 57 -0.435 11.172 -16.095 1.00 0.00 O ATOM 911 CB ASP A 57 -1.490 9.659 -18.387 1.00 0.00 C ATOM 912 CG ASP A 57 -2.892 10.255 -18.378 1.00 0.00 C ATOM 913 OD1 ASP A 57 -3.036 11.375 -17.947 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.803 9.586 -18.803 1.00 0.00 O1- ATOM 0 H ASP A 57 1.068 9.329 -17.876 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.527 11.324 -19.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.391 8.989 -19.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.352 9.055 -17.491 1.00 0.00 H new ATOM 919 N PRO A 58 -0.628 12.931 -17.485 1.00 0.00 N ATOM 920 CA PRO A 58 -0.474 13.934 -16.439 1.00 0.00 C ATOM 921 C PRO A 58 -1.392 13.645 -15.258 1.00 0.00 C ATOM 922 O PRO A 58 -1.021 13.858 -14.103 1.00 0.00 O ATOM 923 CB PRO A 58 -0.860 15.236 -17.149 1.00 0.00 C ATOM 924 CG PRO A 58 -0.386 15.043 -18.549 1.00 0.00 C ATOM 925 CD PRO A 58 -0.664 13.592 -18.841 1.00 0.00 C ATOM 0 HA PRO A 58 0.530 13.964 -16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.936 15.406 -17.113 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.385 16.100 -16.683 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.916 15.697 -19.242 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.676 15.271 -18.644 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.633 13.461 -19.323 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.085 13.169 -19.511 1.00 0.00 H new ATOM 933 N ARG A 59 -2.593 13.159 -15.554 1.00 0.00 N ATOM 934 CA ARG A 59 -3.695 13.205 -14.601 1.00 0.00 C ATOM 935 C ARG A 59 -3.610 12.056 -13.605 1.00 0.00 C ATOM 936 O ARG A 59 -4.537 11.827 -12.827 1.00 0.00 O ATOM 937 CB ARG A 59 -5.032 13.149 -15.324 1.00 0.00 C ATOM 938 CG ARG A 59 -5.266 14.270 -16.324 1.00 0.00 C ATOM 939 CD ARG A 59 -6.327 13.919 -17.304 1.00 0.00 C ATOM 940 NE ARG A 59 -5.975 12.747 -18.088 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.805 12.124 -18.948 1.00 0.00 C ATOM 942 NH1 ARG A 59 -8.028 12.574 -19.123 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -6.389 11.062 -19.615 1.00 0.00 N ATOM 0 H ARG A 59 -2.828 12.728 -16.448 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.618 14.147 -14.057 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.107 12.195 -15.846 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.831 13.170 -14.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.548 15.179 -15.793 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.338 14.485 -16.854 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.262 13.735 -16.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.499 14.764 -17.971 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.034 12.369 -17.980 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.348 13.394 -18.608 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.657 12.103 -19.774 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.440 10.714 -19.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.017 10.590 -20.266 1.00 0.00 H new ATOM 957 N LYS A 60 -2.495 11.334 -13.635 1.00 0.00 N ATOM 958 CA LYS A 60 -2.218 10.310 -12.635 1.00 0.00 C ATOM 959 C LYS A 60 -1.001 10.674 -11.795 1.00 0.00 C ATOM 960 O LYS A 60 -0.671 9.983 -10.831 1.00 0.00 O ATOM 961 CB LYS A 60 -2.006 8.952 -13.306 1.00 0.00 C ATOM 962 CG LYS A 60 -3.262 8.352 -13.924 1.00 0.00 C ATOM 963 CD LYS A 60 -2.989 6.972 -14.503 1.00 0.00 C ATOM 964 CE LYS A 60 -4.262 6.333 -15.036 1.00 0.00 C ATOM 965 NZ LYS A 60 -4.747 7.002 -16.274 1.00 0.00 N1+ ATOM 0 H LYS A 60 -1.768 11.439 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.082 10.248 -11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.249 9.059 -14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.610 8.254 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.044 8.283 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.634 9.011 -14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.256 7.051 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.553 6.333 -13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.079 5.278 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.038 6.379 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.607 6.525 -16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.963 7.998 -16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.011 6.951 -17.007 1.00 0.00 H new ATOM 979 N ARG A 61 -0.337 11.764 -12.166 1.00 0.00 N ATOM 980 CA ARG A 61 0.766 12.296 -11.374 1.00 0.00 C ATOM 981 C ARG A 61 0.269 13.296 -10.338 1.00 0.00 C ATOM 982 O ARG A 61 0.799 13.373 -9.231 1.00 0.00 O ATOM 983 CB ARG A 61 1.794 12.968 -12.272 1.00 0.00 C ATOM 984 CG ARG A 61 3.054 13.436 -11.562 1.00 0.00 C ATOM 985 CD ARG A 61 4.068 13.945 -12.521 1.00 0.00 C ATOM 986 NE ARG A 61 5.297 14.341 -11.852 1.00 0.00 N ATOM 987 CZ ARG A 61 6.398 14.797 -12.481 1.00 0.00 C ATOM 988 NH1 ARG A 61 6.407 14.908 -13.791 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 7.467 15.132 -11.782 1.00 0.00 N ATOM 0 H ARG A 61 -0.544 12.297 -13.011 1.00 0.00 H new ATOM 0 HA ARG A 61 1.231 11.457 -10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.076 12.271 -13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.327 13.826 -12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.800 14.221 -10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.477 12.611 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.289 13.174 -13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.659 14.798 -13.063 1.00 0.00 H new ATOM 0 HE ARG A 61 5.328 14.268 -10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.581 14.649 -14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.240 15.253 -14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.459 15.046 -10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.300 15.477 -12.258 1.00 0.00 H new ATOM 1003 N GLU A 62 -0.753 14.061 -10.706 1.00 0.00 N ATOM 1004 CA GLU A 62 -1.483 14.879 -9.744 1.00 0.00 C ATOM 1005 C GLU A 62 -2.169 14.014 -8.695 1.00 0.00 C ATOM 1006 O GLU A 62 -2.648 14.517 -7.679 1.00 0.00 O ATOM 1007 CB GLU A 62 -2.519 15.748 -10.460 1.00 0.00 C ATOM 1008 CG GLU A 62 -3.677 14.972 -11.071 1.00 0.00 C ATOM 1009 CD GLU A 62 -4.655 15.855 -11.796 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -4.522 17.052 -11.710 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -5.536 15.330 -12.435 1.00 0.00 O1- ATOM 0 H GLU A 62 -1.095 14.132 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.763 15.523 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.918 16.474 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.020 16.312 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.284 14.228 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.200 14.429 -10.283 1.00 0.00 H new ATOM 1018 N ILE A 63 -2.215 12.711 -8.946 1.00 0.00 N ATOM 1019 CA ILE A 63 -2.666 11.752 -7.945 1.00 0.00 C ATOM 1020 C ILE A 63 -1.486 11.056 -7.279 1.00 0.00 C ATOM 1021 O ILE A 63 -1.334 11.103 -6.057 1.00 0.00 O ATOM 1022 CB ILE A 63 -3.596 10.698 -8.573 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -4.861 11.363 -9.123 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -3.953 9.628 -7.553 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -5.710 10.448 -9.976 1.00 0.00 C ATOM 0 H ILE A 63 -1.945 12.294 -9.837 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.219 12.309 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.071 10.221 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.461 11.727 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.575 12.233 -9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.611 8.891 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.043 9.137 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.461 10.088 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.587 10.990 -10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.128 10.104 -10.831 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.027 9.590 -9.384 1.00 0.00 H new ATOM 1037 N PHE A 64 -0.653 10.409 -8.086 1.00 0.00 N ATOM 1038 CA PHE A 64 0.522 9.712 -7.578 1.00 0.00 C ATOM 1039 C PHE A 64 1.308 10.590 -6.612 1.00 0.00 C ATOM 1040 O PHE A 64 1.498 10.234 -5.449 1.00 0.00 O ATOM 1041 CB PHE A 64 1.427 9.278 -8.732 1.00 0.00 C ATOM 1042 CG PHE A 64 2.703 8.621 -8.287 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.676 7.501 -7.470 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.933 9.123 -8.684 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.850 6.896 -7.061 1.00 0.00 C ATOM 1046 CE2 PHE A 64 5.108 8.521 -8.278 1.00 0.00 C ATOM 1047 CZ PHE A 64 5.066 7.406 -7.464 1.00 0.00 C ATOM 0 H PHE A 64 -0.770 10.353 -9.098 1.00 0.00 H new ATOM 0 HA PHE A 64 0.177 8.829 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.878 8.588 -9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.671 10.150 -9.338 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.727 7.097 -7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.973 9.996 -9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.815 6.023 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.059 8.922 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.983 6.935 -7.144 1.00 0.00 H new ATOM 1057 N ASP A 65 1.763 11.739 -7.102 1.00 0.00 N ATOM 1058 CA ASP A 65 2.558 12.654 -6.292 1.00 0.00 C ATOM 1059 C ASP A 65 1.758 13.177 -5.107 1.00 0.00 C ATOM 1060 O ASP A 65 2.284 13.312 -4.002 1.00 0.00 O ATOM 1061 CB ASP A 65 3.052 13.829 -7.140 1.00 0.00 C ATOM 1062 CG ASP A 65 4.143 13.431 -8.126 1.00 0.00 C ATOM 1063 OD1 ASP A 65 4.635 12.332 -8.025 1.00 0.00 O ATOM 1064 OD2 ASP A 65 4.474 14.230 -8.969 1.00 0.00 O1- ATOM 0 H ASP A 65 1.594 12.058 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 65 3.416 12.100 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.211 14.254 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.431 14.611 -6.482 1.00 0.00 H new ATOM 1069 N ARG A 66 0.484 13.472 -5.342 1.00 0.00 N ATOM 1070 CA ARG A 66 -0.376 14.034 -4.308 1.00 0.00 C ATOM 1071 C ARG A 66 -0.507 13.086 -3.124 1.00 0.00 C ATOM 1072 O ARG A 66 -0.225 13.456 -1.985 1.00 0.00 O ATOM 1073 CB ARG A 66 -1.758 14.337 -4.868 1.00 0.00 C ATOM 1074 CG ARG A 66 -2.708 15.017 -3.895 1.00 0.00 C ATOM 1075 CD ARG A 66 -3.996 15.373 -4.543 1.00 0.00 C ATOM 1076 NE ARG A 66 -3.812 16.309 -5.640 1.00 0.00 N ATOM 1077 CZ ARG A 66 -3.742 17.647 -5.501 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -3.842 18.190 -4.309 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -3.572 18.414 -6.565 1.00 0.00 N ATOM 0 H ARG A 66 0.024 13.331 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 66 0.086 14.960 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.647 14.971 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.211 13.404 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.897 14.356 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.239 15.917 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.477 14.468 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.666 15.809 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.730 15.925 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.973 17.598 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.789 19.203 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.494 17.992 -7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.519 19.427 -6.460 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.938 11.859 -3.399 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.223 10.893 -2.347 1.00 0.00 C ATOM 1095 C TYR A 67 -0.235 9.734 -2.380 1.00 0.00 C ATOM 1096 O TYR A 67 0.316 9.346 -1.349 1.00 0.00 O ATOM 1097 CB TYR A 67 -2.657 10.372 -2.473 1.00 0.00 C ATOM 1098 CG TYR A 67 -3.714 11.434 -2.267 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -4.636 11.698 -3.269 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -3.759 12.145 -1.077 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -5.600 12.669 -3.081 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -4.725 13.116 -0.889 1.00 0.00 C ATOM 1103 CZ TYR A 67 -5.642 13.377 -1.885 1.00 0.00 C ATOM 1104 OH TYR A 67 -6.603 14.345 -1.698 1.00 0.00 O ATOM 0 H TYR A 67 -1.097 11.511 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.116 11.401 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.787 9.930 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.809 9.575 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.600 11.145 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.040 11.940 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.318 12.878 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.761 13.670 0.038 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.496 14.745 -0.810 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.015 9.184 -3.569 1.00 0.00 N ATOM 1115 CA GLY A 68 0.863 8.032 -3.729 1.00 0.00 C ATOM 1116 C GLY A 68 0.245 6.994 -4.657 1.00 0.00 C ATOM 1117 O GLY A 68 -0.572 7.324 -5.517 1.00 0.00 O ATOM 0 H GLY A 68 -0.434 9.518 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.823 8.356 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.059 7.583 -2.755 1.00 0.00 H new ATOM 1121 N GLU A 69 0.640 5.738 -4.479 1.00 0.00 N ATOM 1122 CA GLU A 69 0.202 4.663 -5.361 1.00 0.00 C ATOM 1123 C GLU A 69 -1.142 4.100 -4.918 1.00 0.00 C ATOM 1124 O GLU A 69 -1.821 3.413 -5.681 1.00 0.00 O ATOM 1125 CB GLU A 69 1.247 3.546 -5.402 1.00 0.00 C ATOM 1126 CG GLU A 69 1.410 2.790 -4.091 1.00 0.00 C ATOM 1127 CD GLU A 69 2.336 3.481 -3.129 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.584 4.649 -3.307 1.00 0.00 O ATOM 1129 OE2 GLU A 69 2.797 2.839 -2.215 1.00 0.00 O1- ATOM 0 H GLU A 69 1.264 5.439 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 69 0.086 5.080 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.974 2.838 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.209 3.975 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.433 2.669 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.790 1.790 -4.299 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.521 4.393 -3.678 1.00 0.00 N ATOM 1137 CA GLU A 70 -2.781 3.911 -3.128 1.00 0.00 C ATOM 1138 C GLU A 70 -3.968 4.448 -3.918 1.00 0.00 C ATOM 1139 O GLU A 70 -5.032 3.829 -3.956 1.00 0.00 O ATOM 1140 CB GLU A 70 -2.911 4.313 -1.657 1.00 0.00 C ATOM 1141 CG GLU A 70 -1.918 3.630 -0.728 1.00 0.00 C ATOM 1142 CD GLU A 70 -2.034 4.095 0.697 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -2.744 5.042 0.937 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -1.411 3.502 1.547 1.00 0.00 O1- ATOM 0 H GLU A 70 -0.972 4.963 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.782 2.824 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.783 5.392 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.922 4.085 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.074 2.552 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.905 3.818 -1.085 1.00 0.00 H new ATOM 1151 N GLY A 71 -3.779 5.603 -4.546 1.00 0.00 N ATOM 1152 CA GLY A 71 -4.850 6.250 -5.296 1.00 0.00 C ATOM 1153 C GLY A 71 -5.024 5.613 -6.669 1.00 0.00 C ATOM 1154 O GLY A 71 -5.925 5.980 -7.424 1.00 0.00 O ATOM 0 H GLY A 71 -2.894 6.111 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.783 6.178 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.628 7.311 -5.410 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.158 4.658 -6.986 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.222 3.960 -8.265 1.00 0.00 C ATOM 1160 C LEU A 72 -4.620 2.502 -8.079 1.00 0.00 C ATOM 1161 O LEU A 72 -5.106 1.857 -9.008 1.00 0.00 O ATOM 1162 CB LEU A 72 -2.866 4.039 -8.980 1.00 0.00 C ATOM 1163 CG LEU A 72 -2.438 5.438 -9.440 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -1.012 5.384 -9.973 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -3.401 5.939 -10.506 1.00 0.00 C ATOM 0 H LEU A 72 -3.402 4.349 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.983 4.448 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.100 3.646 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.896 3.384 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.465 6.131 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.708 6.378 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.342 5.040 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.965 4.695 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.097 6.933 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.388 5.258 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.409 5.985 -10.093 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.412 1.986 -6.872 1.00 0.00 N ATOM 1178 CA LYS A 73 -4.927 0.674 -6.500 1.00 0.00 C ATOM 1179 C LYS A 73 -6.366 0.766 -6.008 1.00 0.00 C ATOM 1180 O LYS A 73 -7.184 -0.110 -6.286 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.044 0.038 -5.425 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.453 -1.377 -5.032 1.00 0.00 C ATOM 1183 CD LYS A 73 -3.438 -2.002 -4.087 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.831 -3.424 -3.715 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.851 -4.047 -2.785 1.00 0.00 N1+ ATOM 0 H LYS A 73 -3.889 2.458 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.911 0.045 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.014 0.020 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.063 0.669 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.433 -1.356 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.548 -1.992 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.455 -2.005 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.358 -1.397 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.818 -3.418 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.907 -4.028 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.156 -5.015 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.914 -4.076 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.797 -3.486 -1.911 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.669 1.834 -5.278 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.975 1.985 -4.646 1.00 0.00 C ATOM 1201 C GLY A 74 -7.904 1.673 -3.158 1.00 0.00 C ATOM 1202 O GLY A 74 -8.873 1.192 -2.568 1.00 0.00 O ATOM 0 H GLY A 74 -6.027 2.609 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.337 3.003 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.694 1.321 -5.126 1.00 0.00 H new ATOM 1206 N SER A 75 -6.754 1.948 -2.552 1.00 0.00 N ATOM 1207 CA SER A 75 -6.522 1.606 -1.154 1.00 0.00 C ATOM 1208 C SER A 75 -6.174 2.843 -0.336 1.00 0.00 C ATOM 1209 O SER A 75 -5.698 2.738 0.794 1.00 0.00 O ATOM 1210 CB SER A 75 -5.406 0.586 -1.045 1.00 0.00 C ATOM 1211 OG SER A 75 -4.214 1.085 -1.585 1.00 0.00 O ATOM 0 H SER A 75 -5.966 2.408 -3.009 1.00 0.00 H new ATOM 0 HA SER A 75 -7.442 1.179 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.252 0.321 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.691 -0.327 -1.567 1.00 0.00 H new ATOM 0 HG SER A 75 -3.509 0.409 -1.501 1.00 0.00 H new ATOM 1217 N GLY A 76 -6.415 4.015 -0.913 1.00 0.00 N ATOM 1218 CA GLY A 76 -6.098 5.275 -0.250 1.00 0.00 C ATOM 1219 C GLY A 76 -7.078 6.370 -0.651 1.00 0.00 C ATOM 1220 O GLY A 76 -8.201 6.089 -1.069 1.00 0.00 O ATOM 0 H GLY A 76 -6.829 4.119 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.125 5.137 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.083 5.579 -0.507 1.00 0.00 H new ATOM 1224 N PRO A 77 -6.646 7.620 -0.520 1.00 0.00 N ATOM 1225 CA PRO A 77 -7.508 8.761 -0.804 1.00 0.00 C ATOM 1226 C PRO A 77 -7.826 8.856 -2.290 1.00 0.00 C ATOM 1227 O PRO A 77 -7.159 9.574 -3.034 1.00 0.00 O ATOM 1228 CB PRO A 77 -6.669 9.953 -0.330 1.00 0.00 C ATOM 1229 CG PRO A 77 -5.698 9.356 0.631 1.00 0.00 C ATOM 1230 CD PRO A 77 -5.373 8.008 0.046 1.00 0.00 C ATOM 0 HA PRO A 77 -8.478 8.701 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.159 10.437 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.289 10.711 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.805 9.973 0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.131 9.263 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.590 8.068 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.031 7.304 0.805 1.00 0.00 H new ATOM 1238 N SER A 78 -8.850 8.124 -2.718 1.00 0.00 N ATOM 1239 CA SER A 78 -9.295 8.167 -4.106 1.00 0.00 C ATOM 1240 C SER A 78 -10.814 8.247 -4.196 1.00 0.00 C ATOM 1241 O SER A 78 -11.512 7.264 -3.947 1.00 0.00 O ATOM 1242 CB SER A 78 -8.799 6.943 -4.851 1.00 0.00 C ATOM 1243 OG SER A 78 -9.265 6.936 -6.172 1.00 0.00 O ATOM 0 H SER A 78 -9.387 7.494 -2.123 1.00 0.00 H new ATOM 0 HA SER A 78 -8.878 9.064 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.709 6.927 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.134 6.041 -4.339 1.00 0.00 H new ATOM 0 HG SER A 78 -8.931 6.138 -6.633 1.00 0.00 H new ATOM 1249 N GLY A 79 -11.319 9.423 -4.553 1.00 0.00 N ATOM 1250 CA GLY A 79 -12.745 9.601 -4.798 1.00 0.00 C ATOM 1251 C GLY A 79 -13.069 9.469 -6.281 1.00 0.00 C ATOM 1252 O GLY A 79 -12.254 8.980 -7.064 1.00 0.00 O ATOM 0 H GLY A 79 -10.761 10.268 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.309 8.860 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.059 10.582 -4.440 1.00 0.00 H new ATOM 1256 N GLY A 80 -14.264 9.908 -6.662 1.00 0.00 N ATOM 1257 CA GLY A 80 -14.693 9.850 -8.054 1.00 0.00 C ATOM 1258 C GLY A 80 -16.091 9.257 -8.174 1.00 0.00 C ATOM 1259 O GLY A 80 -16.914 9.392 -7.270 1.00 0.00 O ATOM 0 H GLY A 80 -14.953 10.308 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.682 10.852 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.989 9.249 -8.630 1.00 0.00 H new ATOM 1263 N SER A 81 -16.354 8.599 -9.299 1.00 0.00 N ATOM 1264 CA SER A 81 -17.626 7.920 -9.510 1.00 0.00 C ATOM 1265 C SER A 81 -17.487 6.415 -9.313 1.00 0.00 C ATOM 1266 O SER A 81 -18.409 5.753 -8.838 1.00 0.00 O ATOM 1267 CB SER A 81 -18.149 8.210 -10.902 1.00 0.00 C ATOM 1268 OG SER A 81 -17.293 7.685 -11.880 1.00 0.00 O ATOM 0 H SER A 81 -15.701 8.522 -10.079 1.00 0.00 H new ATOM 0 HA SER A 81 -18.334 8.298 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 81 -19.144 7.781 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 81 -18.248 9.287 -11.040 1.00 0.00 H new ATOM 0 HG SER A 81 -17.652 7.883 -12.770 1.00 0.00 H new ATOM 1274 N GLY A 82 -16.328 5.880 -9.682 1.00 0.00 N ATOM 1275 CA GLY A 82 -16.023 4.474 -9.445 1.00 0.00 C ATOM 1276 C GLY A 82 -17.228 3.592 -9.744 1.00 0.00 C ATOM 1277 O GLY A 82 -17.683 3.512 -10.885 1.00 0.00 O ATOM 0 H GLY A 82 -15.584 6.400 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.183 4.171 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.716 4.335 -8.408 1.00 0.00 H new ATOM 1281 N GLY A 83 -17.741 2.930 -8.713 1.00 0.00 N ATOM 1282 CA GLY A 83 -18.935 2.105 -8.849 1.00 0.00 C ATOM 1283 C GLY A 83 -18.674 0.899 -9.742 1.00 0.00 C ATOM 1284 O GLY A 83 -17.931 -0.011 -9.371 1.00 0.00 O ATOM 0 H GLY A 83 -17.348 2.949 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.261 1.768 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.746 2.701 -9.267 1.00 0.00 H new ATOM 1288 N GLY A 84 -19.288 0.897 -10.920 1.00 0.00 N ATOM 1289 CA GLY A 84 -19.118 -0.195 -11.871 1.00 0.00 C ATOM 1290 C GLY A 84 -17.667 -0.317 -12.317 1.00 0.00 C ATOM 1291 O GLY A 84 -17.203 -1.403 -12.665 1.00 0.00 O ATOM 0 H GLY A 84 -19.909 1.641 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.441 -1.131 -11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -19.755 -0.027 -12.739 1.00 0.00 H new ATOM 1295 N ALA A 85 -16.953 0.804 -12.303 1.00 0.00 N ATOM 1296 CA ALA A 85 -15.538 0.815 -12.656 1.00 0.00 C ATOM 1297 C ALA A 85 -14.702 0.099 -11.604 1.00 0.00 C ATOM 1298 O ALA A 85 -13.927 -0.804 -11.921 1.00 0.00 O ATOM 1299 CB ALA A 85 -15.049 2.244 -12.837 1.00 0.00 C ATOM 0 H ALA A 85 -17.331 1.717 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.423 0.280 -13.599 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.991 2.236 -13.100 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.617 2.725 -13.633 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -15.187 2.796 -11.908 1.00 0.00 H new ATOM 1305 N ASN A 86 -14.862 0.505 -10.349 1.00 0.00 N ATOM 1306 CA ASN A 86 -14.123 -0.097 -9.247 1.00 0.00 C ATOM 1307 C ASN A 86 -14.562 -1.536 -9.010 1.00 0.00 C ATOM 1308 O ASN A 86 -13.828 -2.331 -8.422 1.00 0.00 O ATOM 1309 CB ASN A 86 -14.285 0.727 -7.982 1.00 0.00 C ATOM 1310 CG ASN A 86 -13.510 2.014 -8.028 1.00 0.00 C ATOM 1311 OD1 ASN A 86 -12.620 2.188 -8.867 1.00 0.00 O ATOM 1312 ND2 ASN A 86 -13.832 2.921 -7.141 1.00 0.00 N ATOM 0 H ASN A 86 -15.499 1.251 -10.070 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.068 -0.110 -9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.341 0.948 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.956 0.139 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.341 3.815 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.574 2.734 -6.467 1.00 0.00 H new ATOM 1319 N GLY A 87 -15.764 -1.866 -9.470 1.00 0.00 N ATOM 1320 CA GLY A 87 -16.288 -3.221 -9.345 1.00 0.00 C ATOM 1321 C GLY A 87 -15.501 -4.196 -10.212 1.00 0.00 C ATOM 1322 O GLY A 87 -15.540 -5.407 -9.991 1.00 0.00 O ATOM 0 H GLY A 87 -16.395 -1.212 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -16.242 -3.537 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.338 -3.236 -9.637 1.00 0.00 H new ATOM 1326 N THR A 88 -14.789 -3.663 -11.198 1.00 0.00 N ATOM 1327 CA THR A 88 -14.022 -4.489 -12.122 1.00 0.00 C ATOM 1328 C THR A 88 -12.542 -4.488 -11.762 1.00 0.00 C ATOM 1329 O THR A 88 -11.864 -5.510 -11.879 1.00 0.00 O ATOM 1330 CB THR A 88 -14.200 -4.008 -13.575 1.00 0.00 C ATOM 1331 OG1 THR A 88 -13.734 -2.657 -13.694 1.00 0.00 O ATOM 1332 CG2 THR A 88 -15.664 -4.074 -13.981 1.00 0.00 C ATOM 0 H THR A 88 -14.727 -2.661 -11.378 1.00 0.00 H new ATOM 0 HA THR A 88 -14.404 -5.507 -12.038 1.00 0.00 H new ATOM 0 HB THR A 88 -13.622 -4.658 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.244 -2.080 -13.087 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.772 -3.731 -15.010 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.017 -5.102 -13.902 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.253 -3.436 -13.322 1.00 0.00 H new ATOM 1340 N SER A 89 -12.044 -3.338 -11.322 1.00 0.00 N ATOM 1341 CA SER A 89 -10.659 -3.219 -10.884 1.00 0.00 C ATOM 1342 C SER A 89 -10.442 -3.918 -9.548 1.00 0.00 C ATOM 1343 O SER A 89 -11.346 -3.979 -8.714 1.00 0.00 O ATOM 1344 CB SER A 89 -10.272 -1.757 -10.769 1.00 0.00 C ATOM 1345 OG SER A 89 -8.969 -1.621 -10.272 1.00 0.00 O ATOM 0 H SER A 89 -12.581 -2.473 -11.259 1.00 0.00 H new ATOM 0 HA SER A 89 -10.028 -3.703 -11.629 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.344 -1.280 -11.746 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.972 -1.242 -10.111 1.00 0.00 H new ATOM 0 HG SER A 89 -8.741 -0.670 -10.208 1.00 0.00 H new ATOM 1351 N PHE A 90 -9.238 -4.444 -9.349 1.00 0.00 N ATOM 1352 CA PHE A 90 -8.894 -5.123 -8.106 1.00 0.00 C ATOM 1353 C PHE A 90 -7.394 -5.070 -7.846 1.00 0.00 C ATOM 1354 O PHE A 90 -6.854 -5.890 -7.103 1.00 0.00 O ATOM 1355 CB PHE A 90 -9.359 -6.580 -8.146 1.00 0.00 C ATOM 1356 CG PHE A 90 -8.742 -7.382 -9.258 1.00 0.00 C ATOM 1357 CD1 PHE A 90 -7.538 -8.043 -9.069 1.00 0.00 C ATOM 1358 CD2 PHE A 90 -9.365 -7.475 -10.494 1.00 0.00 C ATOM 1359 CE1 PHE A 90 -6.970 -8.782 -10.091 1.00 0.00 C ATOM 1360 CE2 PHE A 90 -8.800 -8.212 -11.516 1.00 0.00 C ATOM 1361 CZ PHE A 90 -7.601 -8.866 -11.314 1.00 0.00 C ATOM 0 H PHE A 90 -8.483 -4.413 -10.034 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.404 -4.605 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.122 -7.054 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.444 -6.603 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.038 -7.980 -8.114 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -10.303 -6.965 -10.659 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.032 -9.293 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.296 -8.277 -12.473 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.158 -9.442 -12.113 1.00 0.00 H new ATOM 1371 N SER A 91 -6.727 -4.100 -8.461 1.00 0.00 N ATOM 1372 CA SER A 91 -5.297 -3.902 -8.253 1.00 0.00 C ATOM 1373 C SER A 91 -4.861 -2.514 -8.703 1.00 0.00 C ATOM 1374 O SER A 91 -5.681 -1.604 -8.819 1.00 0.00 O ATOM 1375 CB SER A 91 -4.510 -4.958 -9.006 1.00 0.00 C ATOM 1376 OG SER A 91 -3.154 -4.916 -8.656 1.00 0.00 O ATOM 0 H SER A 91 -7.154 -3.438 -9.108 1.00 0.00 H new ATOM 0 HA SER A 91 -5.097 -3.993 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.916 -5.945 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.618 -4.801 -10.079 1.00 0.00 H new ATOM 0 HG SER A 91 -2.667 -5.606 -9.152 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.566 -2.359 -8.955 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.031 -1.104 -9.469 1.00 0.00 C ATOM 1384 C TYR A 92 -3.530 -0.829 -10.881 1.00 0.00 C ATOM 1385 O TYR A 92 -3.663 -1.745 -11.692 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.500 -1.124 -9.442 1.00 0.00 C ATOM 1387 CG TYR A 92 -0.914 -1.054 -8.049 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.393 -2.196 -7.459 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -0.896 0.151 -7.363 1.00 0.00 C ATOM 1390 CE1 TYR A 92 0.143 -2.132 -6.187 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.360 0.214 -6.093 1.00 0.00 C ATOM 1392 CZ TYR A 92 0.158 -0.921 -5.505 1.00 0.00 C ATOM 1393 OH TYR A 92 0.692 -0.857 -4.238 1.00 0.00 O ATOM 0 H TYR A 92 -2.867 -3.088 -8.811 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.385 -0.300 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.149 -2.034 -9.929 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.124 -0.284 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.406 -3.134 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.301 1.040 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.549 -3.020 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.346 1.153 -5.559 1.00 0.00 H new ATOM 0 HH TYR A 92 1.400 -1.528 -4.147 1.00 0.00 H new ATOM 1403 N THR A 93 -3.808 0.439 -11.169 1.00 0.00 N ATOM 1404 CA THR A 93 -4.243 0.844 -12.500 1.00 0.00 C ATOM 1405 C THR A 93 -3.169 0.560 -13.542 1.00 0.00 C ATOM 1406 O THR A 93 -2.429 1.457 -13.945 1.00 0.00 O ATOM 1407 CB THR A 93 -4.612 2.339 -12.532 1.00 0.00 C ATOM 1408 OG1 THR A 93 -5.692 2.586 -11.621 1.00 0.00 O ATOM 1409 CG2 THR A 93 -5.029 2.756 -13.932 1.00 0.00 C ATOM 0 H THR A 93 -3.739 1.204 -10.497 1.00 0.00 H new ATOM 0 HA THR A 93 -5.129 0.257 -12.741 1.00 0.00 H new ATOM 0 HB THR A 93 -3.738 2.920 -12.237 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.423 2.323 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.286 3.815 -13.935 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.206 2.581 -14.624 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.895 2.172 -14.243 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.088 -0.693 -13.975 1.00 0.00 N ATOM 1418 CA PHE A 94 -2.303 -1.049 -15.150 1.00 0.00 C ATOM 1419 C PHE A 94 -3.145 -0.981 -16.418 1.00 0.00 C ATOM 1420 O PHE A 94 -3.238 -1.954 -17.165 1.00 0.00 O ATOM 1421 CB PHE A 94 -1.716 -2.454 -14.997 1.00 0.00 C ATOM 1422 CG PHE A 94 -0.858 -2.623 -13.775 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -1.017 -3.721 -12.944 1.00 0.00 C ATOM 1424 CD2 PHE A 94 0.109 -1.682 -13.454 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -0.228 -3.877 -11.819 1.00 0.00 C ATOM 1426 CE2 PHE A 94 0.900 -1.836 -12.332 1.00 0.00 C ATOM 1427 CZ PHE A 94 0.730 -2.935 -11.513 1.00 0.00 C ATOM 0 H PHE A 94 -3.558 -1.481 -13.528 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.491 -0.327 -15.235 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.532 -3.176 -14.960 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.123 -2.688 -15.881 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.766 -4.463 -13.178 1.00 0.00 H new ATOM 0 HD2 PHE A 94 0.245 -0.819 -14.089 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.363 -4.737 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.651 -1.097 -12.095 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.347 -3.056 -10.635 1.00 0.00 H new ATOM 1437 N HIS A 95 -3.756 0.174 -16.654 1.00 0.00 N ATOM 1438 CA HIS A 95 -4.814 0.292 -17.650 1.00 0.00 C ATOM 1439 C HIS A 95 -4.252 0.196 -19.063 1.00 0.00 C ATOM 1440 O HIS A 95 -4.745 -0.575 -19.886 1.00 0.00 O ATOM 1441 CB HIS A 95 -5.570 1.614 -17.484 1.00 0.00 C ATOM 1442 CG HIS A 95 -6.704 1.784 -18.448 1.00 0.00 C ATOM 1443 ND1 HIS A 95 -7.879 1.070 -18.346 1.00 0.00 N ATOM 1444 CD2 HIS A 95 -6.842 2.584 -19.530 1.00 0.00 C ATOM 1445 CE1 HIS A 95 -8.692 1.426 -19.326 1.00 0.00 C ATOM 1446 NE2 HIS A 95 -8.086 2.342 -20.058 1.00 0.00 N ATOM 0 H HIS A 95 -3.536 1.044 -16.168 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.506 -0.536 -17.494 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.957 1.676 -16.467 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.871 2.441 -17.610 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.110 3.283 -19.908 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.683 1.034 -19.498 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -8.478 2.797 -20.883 1.00 0.00 H new ATOM 1453 N GLY A 96 -3.219 0.983 -19.338 1.00 0.00 N ATOM 1454 CA GLY A 96 -2.766 1.203 -20.707 1.00 0.00 C ATOM 1455 C GLY A 96 -1.670 0.218 -21.090 1.00 0.00 C ATOM 1456 O GLY A 96 -1.110 -0.467 -20.233 1.00 0.00 O ATOM 0 H GLY A 96 -2.678 1.480 -18.630 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.607 1.099 -21.392 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.395 2.223 -20.810 1.00 0.00 H new ATOM 1460 N ASP A 97 -1.367 0.152 -22.381 1.00 0.00 N ATOM 1461 CA ASP A 97 -0.241 -0.642 -22.864 1.00 0.00 C ATOM 1462 C ASP A 97 1.055 0.157 -22.816 1.00 0.00 C ATOM 1463 O ASP A 97 1.212 1.148 -23.529 1.00 0.00 O ATOM 1464 CB ASP A 97 -0.499 -1.122 -24.294 1.00 0.00 C ATOM 1465 CG ASP A 97 0.562 -2.094 -24.793 1.00 0.00 C ATOM 1466 OD1 ASP A 97 1.505 -2.333 -24.075 1.00 0.00 O ATOM 1467 OD2 ASP A 97 0.421 -2.588 -25.885 1.00 0.00 O1- ATOM 0 H ASP A 97 -1.885 0.638 -23.113 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.139 -1.507 -22.208 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.476 -1.603 -24.340 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.537 -0.260 -24.960 1.00 0.00 H new ATOM 1472 N PRO A 98 1.982 -0.281 -21.971 1.00 0.00 N ATOM 1473 CA PRO A 98 3.252 0.415 -21.797 1.00 0.00 C ATOM 1474 C PRO A 98 4.175 0.182 -22.986 1.00 0.00 C ATOM 1475 O PRO A 98 5.147 0.909 -23.182 1.00 0.00 O ATOM 1476 CB PRO A 98 3.814 -0.206 -20.515 1.00 0.00 C ATOM 1477 CG PRO A 98 3.250 -1.586 -20.499 1.00 0.00 C ATOM 1478 CD PRO A 98 1.850 -1.425 -21.031 1.00 0.00 C ATOM 0 HA PRO A 98 3.145 1.498 -21.731 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.904 -0.221 -20.525 1.00 0.00 H new ATOM 0 HB3 PRO A 98 3.511 0.358 -19.633 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.836 -2.262 -21.121 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.247 -2.002 -19.492 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.504 -2.326 -21.537 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.137 -1.213 -20.234 1.00 0.00 H new ATOM 1486 N HIS A 99 3.863 -0.838 -23.779 1.00 0.00 N ATOM 1487 CA HIS A 99 4.761 -1.290 -24.834 1.00 0.00 C ATOM 1488 C HIS A 99 4.691 -0.371 -26.048 1.00 0.00 C ATOM 1489 O HIS A 99 5.706 -0.089 -26.685 1.00 0.00 O ATOM 1490 CB HIS A 99 4.426 -2.725 -25.253 1.00 0.00 C ATOM 1491 CG HIS A 99 4.573 -3.724 -24.148 1.00 0.00 C ATOM 1492 ND1 HIS A 99 3.556 -4.001 -23.258 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.614 -4.510 -23.788 1.00 0.00 C ATOM 1494 CE1 HIS A 99 3.968 -4.917 -22.397 1.00 0.00 C ATOM 1495 NE2 HIS A 99 5.212 -5.241 -22.697 1.00 0.00 N ATOM 0 H HIS A 99 2.994 -1.367 -23.710 1.00 0.00 H new ATOM 0 HA HIS A 99 5.775 -1.263 -24.436 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.402 -2.756 -25.625 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.074 -3.013 -26.080 1.00 0.00 H new ATOM 0 HD1 HIS A 99 2.632 -3.568 -23.263 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.580 -4.554 -24.269 1.00 0.00 H new ATOM 0 HE1 HIS A 99 3.386 -5.330 -21.586 1.00 0.00 H new ATOM 1502 N ALA A 100 3.486 0.091 -26.364 1.00 0.00 N ATOM 1503 CA ALA A 100 3.288 1.020 -27.470 1.00 0.00 C ATOM 1504 C ALA A 100 4.133 2.276 -27.294 1.00 0.00 C ATOM 1505 O ALA A 100 4.908 2.643 -28.178 1.00 0.00 O ATOM 1506 CB ALA A 100 1.817 1.387 -27.597 1.00 0.00 C ATOM 0 H ALA A 100 2.631 -0.163 -25.869 1.00 0.00 H new ATOM 0 HA ALA A 100 3.608 0.524 -28.386 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.686 2.081 -28.427 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.232 0.486 -27.781 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.478 1.857 -26.674 1.00 0.00 H new ATOM 1512 N MET A 101 3.980 2.930 -26.148 1.00 0.00 N ATOM 1513 CA MET A 101 4.759 4.123 -25.837 1.00 0.00 C ATOM 1514 C MET A 101 6.253 3.852 -25.954 1.00 0.00 C ATOM 1515 O MET A 101 6.969 4.563 -26.660 1.00 0.00 O ATOM 1516 CB MET A 101 4.417 4.626 -24.436 1.00 0.00 C ATOM 1517 CG MET A 101 3.021 5.220 -24.304 1.00 0.00 C ATOM 1518 SD MET A 101 2.745 5.995 -22.698 1.00 0.00 S ATOM 1519 CE MET A 101 2.655 4.555 -21.638 1.00 0.00 C ATOM 0 H MET A 101 3.323 2.654 -25.418 1.00 0.00 H new ATOM 0 HA MET A 101 4.501 4.894 -26.563 1.00 0.00 H new ATOM 0 HB2 MET A 101 4.515 3.799 -23.732 1.00 0.00 H new ATOM 0 HB3 MET A 101 5.148 5.380 -24.145 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.869 5.959 -25.091 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.280 4.435 -24.456 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.330 4.856 -20.642 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.942 3.842 -22.053 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.638 4.089 -21.573 1.00 0.00 H new ATOM 1529 N PHE A 102 6.718 2.819 -25.260 1.00 0.00 N ATOM 1530 CA PHE A 102 8.138 2.485 -25.242 1.00 0.00 C ATOM 1531 C PHE A 102 8.639 2.141 -26.638 1.00 0.00 C ATOM 1532 O PHE A 102 9.630 2.702 -27.108 1.00 0.00 O ATOM 1533 CB PHE A 102 8.398 1.311 -24.297 1.00 0.00 C ATOM 1534 CG PHE A 102 9.822 0.834 -24.302 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.862 1.708 -24.016 1.00 0.00 C ATOM 1536 CD2 PHE A 102 10.127 -0.487 -24.591 1.00 0.00 C ATOM 1537 CE1 PHE A 102 12.173 1.271 -24.020 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.436 -0.927 -24.595 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.461 -0.047 -24.309 1.00 0.00 C ATOM 0 H PHE A 102 6.132 2.198 -24.702 1.00 0.00 H new ATOM 0 HA PHE A 102 8.681 3.360 -24.886 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.127 1.606 -23.283 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.746 0.483 -24.574 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.644 2.741 -23.788 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.331 -1.181 -24.816 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.973 1.962 -23.797 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.658 -1.959 -24.822 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.485 -0.389 -24.312 1.00 0.00 H new ATOM 1549 N ALA A 103 7.951 1.216 -27.298 1.00 0.00 N ATOM 1550 CA ALA A 103 8.338 0.781 -28.634 1.00 0.00 C ATOM 1551 C ALA A 103 8.410 1.959 -29.598 1.00 0.00 C ATOM 1552 O ALA A 103 9.285 2.012 -30.464 1.00 0.00 O ATOM 1553 CB ALA A 103 7.364 -0.268 -29.153 1.00 0.00 C ATOM 0 H ALA A 103 7.121 0.752 -26.928 1.00 0.00 H new ATOM 0 HA ALA A 103 9.332 0.338 -28.568 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.666 -0.583 -30.152 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.367 -1.129 -28.485 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.361 0.156 -29.195 1.00 0.00 H new ATOM 1559 N GLU A 104 7.487 2.901 -29.443 1.00 0.00 N ATOM 1560 CA GLU A 104 7.470 4.101 -30.272 1.00 0.00 C ATOM 1561 C GLU A 104 8.655 5.003 -29.956 1.00 0.00 C ATOM 1562 O GLU A 104 9.330 5.498 -30.860 1.00 0.00 O ATOM 1563 CB GLU A 104 6.163 4.870 -30.070 1.00 0.00 C ATOM 1564 CG GLU A 104 6.056 6.152 -30.883 1.00 0.00 C ATOM 1565 CD GLU A 104 6.025 5.904 -32.366 1.00 0.00 C ATOM 1566 OE1 GLU A 104 5.693 4.812 -32.758 1.00 0.00 O ATOM 1567 OE2 GLU A 104 6.335 6.808 -33.105 1.00 0.00 O1- ATOM 0 H GLU A 104 6.740 2.857 -28.750 1.00 0.00 H new ATOM 0 HA GLU A 104 7.544 3.788 -31.314 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.329 4.219 -30.330 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.059 5.115 -29.013 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.153 6.687 -30.590 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.901 6.798 -30.645 1.00 0.00 H new ATOM 1574 N PHE A 105 8.905 5.216 -28.668 1.00 0.00 N ATOM 1575 CA PHE A 105 9.949 6.135 -28.232 1.00 0.00 C ATOM 1576 C PHE A 105 11.335 5.568 -28.511 1.00 0.00 C ATOM 1577 O PHE A 105 12.131 6.173 -29.230 1.00 0.00 O ATOM 1578 CB PHE A 105 9.808 6.435 -26.738 1.00 0.00 C ATOM 1579 CG PHE A 105 8.548 7.176 -26.386 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.878 7.925 -27.340 1.00 0.00 C ATOM 1581 CD2 PHE A 105 8.033 7.124 -25.100 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.720 8.607 -27.017 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.875 7.804 -24.774 1.00 0.00 C ATOM 1584 CZ PHE A 105 6.218 8.546 -25.734 1.00 0.00 C ATOM 0 H PHE A 105 8.398 4.764 -27.907 1.00 0.00 H new ATOM 0 HA PHE A 105 9.833 7.059 -28.798 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.834 5.497 -26.184 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.667 7.021 -26.412 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.265 7.976 -28.347 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.543 6.545 -24.344 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.208 9.188 -27.770 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.484 7.755 -23.768 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.313 9.078 -25.481 1.00 0.00 H new ATOM 1594 N PHE A 106 11.618 4.402 -27.939 1.00 0.00 N ATOM 1595 CA PHE A 106 12.983 3.895 -27.867 1.00 0.00 C ATOM 1596 C PHE A 106 13.127 2.590 -28.639 1.00 0.00 C ATOM 1597 O PHE A 106 14.225 2.224 -29.059 1.00 0.00 O ATOM 1598 CB PHE A 106 13.398 3.681 -26.411 1.00 0.00 C ATOM 1599 CG PHE A 106 13.313 4.920 -25.566 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.265 5.098 -24.675 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.278 5.910 -25.662 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.185 6.239 -23.898 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.202 7.050 -24.887 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.154 7.214 -24.003 1.00 0.00 C ATOM 0 H PHE A 106 10.919 3.790 -27.518 1.00 0.00 H new ATOM 0 HA PHE A 106 13.637 4.639 -28.321 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.765 2.910 -25.972 1.00 0.00 H new ATOM 0 HB3 PHE A 106 14.421 3.306 -26.386 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.503 4.337 -24.587 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.100 5.788 -26.352 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.363 6.366 -23.209 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.962 7.813 -24.972 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.094 8.104 -23.395 1.00 0.00 H new ATOM 1614 N GLY A 107 12.012 1.892 -28.824 1.00 0.00 N ATOM 1615 CA GLY A 107 11.967 0.744 -29.722 1.00 0.00 C ATOM 1616 C GLY A 107 12.793 -0.414 -29.176 1.00 0.00 C ATOM 1617 O GLY A 107 13.457 -1.125 -29.929 1.00 0.00 O ATOM 0 H GLY A 107 11.126 2.101 -28.363 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.934 0.425 -29.858 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.343 1.032 -30.704 1.00 0.00 H new ATOM 1621 N GLY A 108 12.745 -0.599 -27.860 1.00 0.00 N ATOM 1622 CA GLY A 108 13.401 -1.735 -27.222 1.00 0.00 C ATOM 1623 C GLY A 108 14.914 -1.658 -27.380 1.00 0.00 C ATOM 1624 O GLY A 108 15.595 -2.682 -27.439 1.00 0.00 O ATOM 0 H GLY A 108 12.258 0.023 -27.215 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.144 -1.759 -26.163 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.034 -2.663 -27.660 1.00 0.00 H new ATOM 1628 N ARG A 109 15.435 -0.437 -27.448 1.00 0.00 N ATOM 1629 CA ARG A 109 16.875 -0.221 -27.494 1.00 0.00 C ATOM 1630 C ARG A 109 17.281 0.976 -26.644 1.00 0.00 C ATOM 1631 O ARG A 109 16.450 1.817 -26.303 1.00 0.00 O ATOM 1632 CB ARG A 109 17.338 -0.001 -28.927 1.00 0.00 C ATOM 1633 CG ARG A 109 17.156 -1.196 -29.849 1.00 0.00 C ATOM 1634 CD ARG A 109 18.088 -2.300 -29.507 1.00 0.00 C ATOM 1635 NE ARG A 109 18.005 -3.396 -30.461 1.00 0.00 N ATOM 1636 CZ ARG A 109 17.135 -4.420 -30.375 1.00 0.00 C ATOM 1637 NH1 ARG A 109 16.281 -4.477 -29.376 1.00 0.00 N1+ ATOM 1638 NH2 ARG A 109 17.138 -5.369 -31.295 1.00 0.00 N ATOM 0 H ARG A 109 14.880 0.418 -27.472 1.00 0.00 H new ATOM 0 HA ARG A 109 17.352 -1.115 -27.092 1.00 0.00 H new ATOM 0 HB2 ARG A 109 16.794 0.847 -29.343 1.00 0.00 H new ATOM 0 HB3 ARG A 109 18.393 0.273 -28.915 1.00 0.00 H new ATOM 0 HG2 ARG A 109 16.128 -1.554 -29.783 1.00 0.00 H new ATOM 0 HG3 ARG A 109 17.320 -0.888 -30.881 1.00 0.00 H new ATOM 0 HD2 ARG A 109 19.109 -1.918 -29.481 1.00 0.00 H new ATOM 0 HD3 ARG A 109 17.860 -2.671 -28.508 1.00 0.00 H new ATOM 0 HE ARG A 109 18.651 -3.388 -31.250 1.00 0.00 H new ATOM 0 HH11 ARG A 109 16.277 -3.745 -28.666 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.622 -5.253 -29.312 1.00 0.00 H new ATOM 0 HH21 ARG A 109 17.799 -5.326 -32.070 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.479 -6.145 -31.230 1.00 0.00 H new ATOM 1652 N ASN A 110 18.564 1.046 -26.303 1.00 0.00 N ATOM 1653 CA ASN A 110 19.070 2.103 -25.437 1.00 0.00 C ATOM 1654 C ASN A 110 19.355 3.374 -26.227 1.00 0.00 C ATOM 1655 O ASN A 110 18.456 4.112 -26.522 1.00 0.00 O ATOM 1656 CB ASN A 110 20.313 1.642 -24.700 1.00 0.00 C ATOM 1657 CG ASN A 110 20.812 2.661 -23.714 1.00 0.00 C ATOM 1658 OD1 ASN A 110 21.113 3.803 -24.081 1.00 0.00 O ATOM 1659 ND2 ASN A 110 20.908 2.271 -22.468 1.00 0.00 N ATOM 1660 OXT ASN A 110 20.479 3.636 -26.555 1.00 0.00 O1- ATOM 0 H ASN A 110 19.273 0.382 -26.614 1.00 0.00 H new ATOM 0 HA ASN A 110 18.298 2.331 -24.703 1.00 0.00 H new ATOM 0 HB2 ASN A 110 20.096 0.711 -24.176 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.100 1.425 -25.423 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.242 2.919 -21.755 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.648 1.319 -22.210 1.00 0.00 H new TER 1667 ASN A 110