USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -73:sc= 0.592 USER MOD Set 1.2: A 103 ASN : amide:sc= -3.51 K(o=-2.9,f=-0.7) USER MOD Set 2.1: A 67 TYR OH : rot 12:sc= 0.0226 USER MOD Set 2.2: A 80 MET CE :methyl 138:sc= -0.357 (180deg=-2.44!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= -0.41 USER MOD Set 4.1: A 52 ASN : amide:sc= -0.2 K(o=-0.2,f=-4.4!) USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0965) USER MOD Single : A 12 GLN : amide:sc= -1.77! C(o=-1.8!,f=-3.8!) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0125) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0452 USER MOD Single : A 16 GLN : amide:sc= -0.998 K(o=-1,f=1.6) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-6.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.147) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0419) USER MOD Single : A 26 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.438! C(o=-0.44!,f=-9.4!) USER MOD Single : A 33 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-8.1!) USER MOD Single : A 40 THR OG1 : rot 86:sc= -0.626 USER MOD Single : A 42 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.19) USER MOD Single : A 47 THR OG1 : rot 26:sc= 0.309 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 49 THR OG1 : rot 151:sc= -0.0434 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -9.73! C(o=-9.7!,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= -0.114 (180deg=-0.475) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 91:sc= -2.12! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.8! K(o=-2.8!,f=-0.1) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -2.51! (180deg=-3.56!) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0823) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc=-0.00475 (180deg=-0.126) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.0743 (180deg=-0.486) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 146:sc= 0.0284 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0.188 (180deg=0.188) USER MOD Single : A 100 LYS NZ :NH3+ -125:sc= -2.38 (180deg=-7.13!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.473 8.331 -8.753 1.00 0.00 N ATOM 11 CA ASP A 2 73.985 7.581 -9.907 1.00 0.00 C ATOM 12 C ASP A 2 74.351 6.109 -9.783 1.00 0.00 C ATOM 13 O ASP A 2 75.365 5.664 -10.318 1.00 0.00 O ATOM 14 CB ASP A 2 74.584 8.147 -11.193 1.00 0.00 C ATOM 15 CG ASP A 2 74.102 9.578 -11.407 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.899 9.782 -11.414 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.942 10.449 -11.561 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.900 7.674 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.672 8.126 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.296 7.527 -12.042 1.00 0.00 H new ATOM 22 N VAL A 3 73.512 5.358 -9.082 1.00 0.00 N ATOM 23 CA VAL A 3 73.744 3.934 -8.898 1.00 0.00 C ATOM 24 C VAL A 3 74.124 3.281 -10.223 1.00 0.00 C ATOM 25 O VAL A 3 74.707 2.196 -10.248 1.00 0.00 O ATOM 26 CB VAL A 3 72.480 3.275 -8.343 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.304 3.561 -9.280 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.692 1.764 -8.240 1.00 0.00 C ATOM 0 H VAL A 3 72.667 5.711 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 3 74.565 3.800 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 3 72.266 3.679 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.402 3.092 -8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.151 4.638 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.520 3.157 -10.269 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.790 1.296 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.907 1.359 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.530 1.559 -7.573 1.00 0.00 H new ATOM 38 N GLU A 4 73.788 3.948 -11.324 1.00 0.00 N ATOM 39 CA GLU A 4 74.098 3.417 -12.647 1.00 0.00 C ATOM 40 C GLU A 4 75.589 3.535 -12.944 1.00 0.00 C ATOM 41 O GLU A 4 76.263 2.534 -13.193 1.00 0.00 O ATOM 42 CB GLU A 4 73.301 4.171 -13.714 1.00 0.00 C ATOM 43 CG GLU A 4 71.828 4.232 -13.303 1.00 0.00 C ATOM 44 CD GLU A 4 70.975 4.675 -14.486 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.800 3.882 -15.397 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.507 5.802 -14.465 1.00 0.00 O1- ATOM 0 H GLU A 4 73.306 4.847 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 4 73.822 2.363 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.698 5.179 -13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.400 3.672 -14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.499 3.254 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.702 4.927 -12.473 1.00 0.00 H new ATOM 53 N LYS A 5 76.103 4.758 -12.910 1.00 0.00 N ATOM 54 CA LYS A 5 77.519 4.981 -13.172 1.00 0.00 C ATOM 55 C LYS A 5 78.347 4.480 -12.001 1.00 0.00 C ATOM 56 O LYS A 5 79.542 4.216 -12.139 1.00 0.00 O ATOM 57 CB LYS A 5 77.787 6.469 -13.402 1.00 0.00 C ATOM 58 CG LYS A 5 77.162 6.900 -14.731 1.00 0.00 C ATOM 59 CD LYS A 5 77.456 8.383 -14.980 1.00 0.00 C ATOM 60 CE LYS A 5 76.807 9.234 -13.884 1.00 0.00 C ATOM 61 NZ LYS A 5 76.517 10.594 -14.421 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.568 5.602 -12.706 1.00 0.00 H new ATOM 0 HA LYS A 5 77.801 4.431 -14.070 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.369 7.056 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.860 6.659 -13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.564 6.297 -15.546 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.085 6.731 -14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.533 8.552 -14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.074 8.679 -15.957 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.886 8.763 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 5 77.471 9.305 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 76.076 11.174 -13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.404 11.042 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.869 10.517 -15.230 1.00 0.00 H new ATOM 75 N GLY A 6 77.699 4.329 -10.854 1.00 0.00 N ATOM 76 CA GLY A 6 78.385 3.831 -9.673 1.00 0.00 C ATOM 77 C GLY A 6 78.678 2.353 -9.858 1.00 0.00 C ATOM 78 O GLY A 6 79.715 1.846 -9.426 1.00 0.00 O ATOM 0 H GLY A 6 76.711 4.542 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.312 4.382 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.769 3.985 -8.787 1.00 0.00 H new ATOM 82 N LYS A 7 77.755 1.672 -10.528 1.00 0.00 N ATOM 83 CA LYS A 7 77.911 0.254 -10.800 1.00 0.00 C ATOM 84 C LYS A 7 79.041 0.037 -11.797 1.00 0.00 C ATOM 85 O LYS A 7 79.863 -0.862 -11.628 1.00 0.00 O ATOM 86 CB LYS A 7 76.609 -0.314 -11.367 1.00 0.00 C ATOM 87 CG LYS A 7 76.704 -1.841 -11.435 1.00 0.00 C ATOM 88 CD LYS A 7 75.470 -2.405 -12.151 1.00 0.00 C ATOM 89 CE LYS A 7 75.705 -2.414 -13.664 1.00 0.00 C ATOM 90 NZ LYS A 7 74.541 -3.053 -14.342 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.894 2.081 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 7 78.151 -0.260 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.768 -0.019 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.424 0.094 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.610 -2.135 -11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.774 -2.256 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.265 -3.416 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.594 -1.802 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.838 -1.395 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.620 -2.958 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.699 -3.060 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.434 -4.030 -14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.677 -2.515 -14.128 1.00 0.00 H new ATOM 104 N LYS A 8 79.082 0.869 -12.836 1.00 0.00 N ATOM 105 CA LYS A 8 80.124 0.750 -13.849 1.00 0.00 C ATOM 106 C LYS A 8 81.506 0.905 -13.217 1.00 0.00 C ATOM 107 O LYS A 8 82.424 0.126 -13.492 1.00 0.00 O ATOM 108 CB LYS A 8 79.927 1.819 -14.928 1.00 0.00 C ATOM 109 CG LYS A 8 81.077 1.752 -15.948 1.00 0.00 C ATOM 110 CD LYS A 8 82.097 2.863 -15.665 1.00 0.00 C ATOM 111 CE LYS A 8 81.623 4.171 -16.305 1.00 0.00 C ATOM 112 NZ LYS A 8 81.902 4.138 -17.768 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.414 1.623 -12.996 1.00 0.00 H new ATOM 0 HA LYS A 8 80.055 -0.239 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.973 1.667 -15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.892 2.808 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.564 0.778 -15.895 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.684 1.857 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.217 2.995 -14.590 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.073 2.585 -16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.556 4.308 -16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.132 5.018 -15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.123 5.098 -18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.712 3.512 -17.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 81.066 3.780 -18.273 1.00 0.00 H new ATOM 126 N ILE A 9 81.648 1.916 -12.368 1.00 0.00 N ATOM 127 CA ILE A 9 82.918 2.172 -11.702 1.00 0.00 C ATOM 128 C ILE A 9 83.248 1.059 -10.714 1.00 0.00 C ATOM 129 O ILE A 9 84.405 0.860 -10.355 1.00 0.00 O ATOM 130 CB ILE A 9 82.848 3.503 -10.956 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.585 4.636 -11.953 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.176 3.752 -10.238 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.083 5.872 -11.203 1.00 0.00 C ATOM 0 H ILE A 9 80.903 2.569 -12.126 1.00 0.00 H new ATOM 0 HA ILE A 9 83.700 2.210 -12.460 1.00 0.00 H new ATOM 0 HB ILE A 9 82.039 3.469 -10.226 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.499 4.874 -12.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.847 4.321 -12.691 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.129 4.701 -9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.363 2.946 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.984 3.786 -10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.896 6.678 -11.913 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.159 5.629 -10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.836 6.191 -10.482 1.00 0.00 H new ATOM 145 N PHE A 10 82.223 0.347 -10.266 1.00 0.00 N ATOM 146 CA PHE A 10 82.423 -0.732 -9.303 1.00 0.00 C ATOM 147 C PHE A 10 82.879 -2.022 -9.990 1.00 0.00 C ATOM 148 O PHE A 10 83.871 -2.625 -9.588 1.00 0.00 O ATOM 149 CB PHE A 10 81.116 -0.991 -8.540 1.00 0.00 C ATOM 150 CG PHE A 10 81.099 -2.414 -8.033 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.603 -3.437 -8.848 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.593 -2.711 -6.759 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.602 -4.759 -8.390 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.590 -4.032 -6.298 1.00 0.00 C ATOM 155 CZ PHE A 10 81.096 -5.057 -7.115 1.00 0.00 C ATOM 0 H PHE A 10 81.254 0.493 -10.549 1.00 0.00 H new ATOM 0 HA PHE A 10 83.206 -0.423 -8.610 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.026 -0.296 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.261 -0.817 -9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.221 -3.206 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.977 -1.921 -6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.220 -5.549 -9.020 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.968 -4.261 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.096 -6.077 -6.761 1.00 0.00 H new ATOM 165 N VAL A 11 82.140 -2.446 -11.010 1.00 0.00 N ATOM 166 CA VAL A 11 82.469 -3.680 -11.723 1.00 0.00 C ATOM 167 C VAL A 11 83.899 -3.660 -12.235 1.00 0.00 C ATOM 168 O VAL A 11 84.540 -4.705 -12.357 1.00 0.00 O ATOM 169 CB VAL A 11 81.523 -3.878 -12.906 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.095 -4.054 -12.398 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.589 -2.653 -13.817 1.00 0.00 C ATOM 0 H VAL A 11 81.315 -1.959 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 11 82.359 -4.503 -11.017 1.00 0.00 H new ATOM 0 HB VAL A 11 81.821 -4.767 -13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.423 -4.195 -13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.046 -4.926 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.795 -3.167 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.915 -2.791 -14.662 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.291 -1.767 -13.257 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.608 -2.526 -14.183 1.00 0.00 H new ATOM 181 N GLN A 12 84.389 -2.476 -12.567 1.00 0.00 N ATOM 182 CA GLN A 12 85.742 -2.356 -13.101 1.00 0.00 C ATOM 183 C GLN A 12 86.771 -2.009 -12.025 1.00 0.00 C ATOM 184 O GLN A 12 87.961 -2.274 -12.200 1.00 0.00 O ATOM 185 CB GLN A 12 85.770 -1.281 -14.186 1.00 0.00 C ATOM 186 CG GLN A 12 85.550 0.096 -13.559 1.00 0.00 C ATOM 187 CD GLN A 12 85.386 1.132 -14.663 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.983 2.265 -14.404 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.682 0.803 -15.890 1.00 0.00 N ATOM 0 H GLN A 12 83.882 -1.595 -12.479 1.00 0.00 H new ATOM 0 HA GLN A 12 86.012 -3.328 -13.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.726 -1.304 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.997 -1.480 -14.928 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.664 0.082 -12.924 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.395 0.357 -12.922 1.00 0.00 H new ATOM 0 HE21 GLN A 12 86.016 -0.138 -16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.580 1.487 -16.640 1.00 0.00 H new ATOM 198 N LYS A 13 86.332 -1.377 -10.938 1.00 0.00 N ATOM 199 CA LYS A 13 87.269 -0.965 -9.887 1.00 0.00 C ATOM 200 C LYS A 13 87.279 -1.889 -8.661 1.00 0.00 C ATOM 201 O LYS A 13 88.312 -2.471 -8.335 1.00 0.00 O ATOM 202 CB LYS A 13 86.941 0.466 -9.447 1.00 0.00 C ATOM 203 CG LYS A 13 88.196 1.138 -8.868 1.00 0.00 C ATOM 204 CD LYS A 13 89.014 1.780 -9.998 1.00 0.00 C ATOM 205 CE LYS A 13 88.474 3.182 -10.301 1.00 0.00 C ATOM 206 NZ LYS A 13 89.010 4.147 -9.299 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.356 -1.142 -10.761 1.00 0.00 H new ATOM 0 HA LYS A 13 88.266 -1.025 -10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.570 1.040 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.148 0.453 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.910 1.896 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.803 0.402 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.064 1.839 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.963 1.160 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 13 88.765 3.486 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.384 3.178 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.713 5.111 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.642 3.908 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.049 4.096 -9.289 1.00 0.00 H new ATOM 220 N CYS A 14 86.157 -1.971 -7.945 1.00 0.00 N ATOM 221 CA CYS A 14 86.106 -2.773 -6.713 1.00 0.00 C ATOM 222 C CYS A 14 85.817 -4.257 -6.948 1.00 0.00 C ATOM 223 O CYS A 14 86.342 -5.108 -6.230 1.00 0.00 O ATOM 224 CB CYS A 14 85.055 -2.195 -5.761 1.00 0.00 C ATOM 225 SG CYS A 14 84.989 -0.389 -5.933 1.00 0.00 S ATOM 0 H CYS A 14 85.284 -1.503 -8.187 1.00 0.00 H new ATOM 0 HA CYS A 14 87.103 -2.717 -6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.078 -2.625 -5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.298 -2.462 -4.732 1.00 0.00 H new ATOM 0 HG CYS A 14 84.093 0.092 -5.123 1.00 0.00 H new ATOM 230 N ALA A 15 84.981 -4.578 -7.923 1.00 0.00 N ATOM 231 CA ALA A 15 84.654 -5.978 -8.179 1.00 0.00 C ATOM 232 C ALA A 15 85.925 -6.825 -8.230 1.00 0.00 C ATOM 233 O ALA A 15 85.896 -8.023 -7.952 1.00 0.00 O ATOM 234 CB ALA A 15 83.893 -6.110 -9.498 1.00 0.00 C ATOM 0 H ALA A 15 84.523 -3.907 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 15 84.024 -6.337 -7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.655 -7.158 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.970 -5.532 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.510 -5.733 -10.314 1.00 0.00 H new ATOM 240 N GLN A 16 87.033 -6.191 -8.591 1.00 0.00 N ATOM 241 CA GLN A 16 88.311 -6.888 -8.683 1.00 0.00 C ATOM 242 C GLN A 16 88.552 -7.787 -7.467 1.00 0.00 C ATOM 243 O GLN A 16 88.639 -9.007 -7.601 1.00 0.00 O ATOM 244 CB GLN A 16 89.449 -5.873 -8.799 1.00 0.00 C ATOM 245 CG GLN A 16 89.443 -5.253 -10.198 1.00 0.00 C ATOM 246 CD GLN A 16 90.470 -4.127 -10.271 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.152 -2.976 -9.973 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.689 -4.392 -10.653 1.00 0.00 N ATOM 0 H GLN A 16 87.074 -5.199 -8.824 1.00 0.00 H new ATOM 0 HA GLN A 16 88.282 -7.519 -9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.334 -5.095 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.405 -6.361 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.672 -6.014 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.450 -4.867 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.950 -5.347 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.381 -3.644 -10.705 1.00 0.00 H new ATOM 257 N CYS A 17 88.680 -7.179 -6.284 1.00 0.00 N ATOM 258 CA CYS A 17 88.935 -7.948 -5.062 1.00 0.00 C ATOM 259 C CYS A 17 87.832 -7.740 -4.018 1.00 0.00 C ATOM 260 O CYS A 17 88.122 -7.492 -2.848 1.00 0.00 O ATOM 261 CB CYS A 17 90.293 -7.539 -4.457 1.00 0.00 C ATOM 262 SG CYS A 17 91.300 -6.697 -5.707 1.00 0.00 S ATOM 0 H CYS A 17 88.612 -6.171 -6.147 1.00 0.00 H new ATOM 0 HA CYS A 17 88.950 -9.003 -5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.136 -6.882 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.817 -8.421 -4.090 1.00 0.00 H new ATOM 0 HG CYS A 17 92.441 -6.355 -5.186 1.00 0.00 H new ATOM 267 N HIS A 18 86.572 -7.855 -4.432 1.00 0.00 N ATOM 268 CA HIS A 18 85.460 -7.681 -3.493 1.00 0.00 C ATOM 269 C HIS A 18 84.208 -8.412 -3.973 1.00 0.00 C ATOM 270 O HIS A 18 84.226 -9.097 -4.995 1.00 0.00 O ATOM 271 CB HIS A 18 85.143 -6.193 -3.316 1.00 0.00 C ATOM 272 CG HIS A 18 86.154 -5.553 -2.402 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.784 -6.245 -1.375 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.652 -4.279 -2.352 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.618 -5.385 -0.759 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.574 -4.172 -1.318 1.00 0.00 N ATOM 0 H HIS A 18 86.296 -8.064 -5.391 1.00 0.00 H new ATOM 0 HA HIS A 18 85.765 -8.107 -2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.150 -5.694 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.141 -6.073 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.370 -3.476 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.244 -5.644 0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.104 -3.345 -1.044 1.00 0.00 H new ATOM 284 N THR A 19 83.121 -8.259 -3.215 1.00 0.00 N ATOM 285 CA THR A 19 81.854 -8.906 -3.550 1.00 0.00 C ATOM 286 C THR A 19 80.686 -7.941 -3.323 1.00 0.00 C ATOM 287 O THR A 19 79.726 -7.919 -4.091 1.00 0.00 O ATOM 288 CB THR A 19 81.679 -10.154 -2.674 1.00 0.00 C ATOM 289 OG1 THR A 19 82.769 -10.241 -1.767 1.00 0.00 O ATOM 290 CG2 THR A 19 81.651 -11.408 -3.549 1.00 0.00 C ATOM 0 H THR A 19 83.094 -7.693 -2.367 1.00 0.00 H new ATOM 0 HA THR A 19 81.865 -9.194 -4.601 1.00 0.00 H new ATOM 0 HB THR A 19 80.740 -10.080 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.663 -11.035 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.527 -12.289 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.819 -11.343 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.587 -11.487 -4.102 1.00 0.00 H new ATOM 298 N VAL A 20 80.788 -7.148 -2.261 1.00 0.00 N ATOM 299 CA VAL A 20 79.753 -6.171 -1.920 1.00 0.00 C ATOM 300 C VAL A 20 78.351 -6.742 -2.114 1.00 0.00 C ATOM 301 O VAL A 20 77.386 -5.990 -2.252 1.00 0.00 O ATOM 302 CB VAL A 20 79.919 -4.904 -2.764 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.365 -4.416 -2.668 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.587 -5.200 -4.225 1.00 0.00 C ATOM 0 H VAL A 20 81.579 -7.161 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 20 79.872 -5.923 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 20 79.242 -4.137 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.485 -3.514 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.606 -4.195 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.036 -5.191 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.708 -4.293 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.259 -5.971 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.557 -5.548 -4.301 1.00 0.00 H new ATOM 314 N GLU A 21 78.236 -8.068 -2.117 1.00 0.00 N ATOM 315 CA GLU A 21 76.934 -8.711 -2.288 1.00 0.00 C ATOM 316 C GLU A 21 76.564 -9.497 -1.033 1.00 0.00 C ATOM 317 O GLU A 21 77.256 -10.438 -0.647 1.00 0.00 O ATOM 318 CB GLU A 21 76.957 -9.640 -3.508 1.00 0.00 C ATOM 319 CG GLU A 21 77.718 -10.925 -3.177 1.00 0.00 C ATOM 320 CD GLU A 21 78.197 -11.596 -4.461 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.757 -10.903 -5.294 1.00 0.00 O ATOM 322 OE2 GLU A 21 77.999 -12.792 -4.591 1.00 0.00 O1- ATOM 0 H GLU A 21 79.018 -8.713 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 21 76.182 -7.939 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.938 -9.880 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.430 -9.135 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.570 -10.698 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.074 -11.605 -2.620 1.00 0.00 H new ATOM 329 N LYS A 22 75.471 -9.094 -0.396 1.00 0.00 N ATOM 330 CA LYS A 22 75.015 -9.754 0.822 1.00 0.00 C ATOM 331 C LYS A 22 74.976 -11.269 0.636 1.00 0.00 C ATOM 332 O LYS A 22 74.567 -11.766 -0.413 1.00 0.00 O ATOM 333 CB LYS A 22 73.617 -9.249 1.194 1.00 0.00 C ATOM 334 CG LYS A 22 73.310 -9.592 2.658 1.00 0.00 C ATOM 335 CD LYS A 22 73.946 -8.551 3.587 1.00 0.00 C ATOM 336 CE LYS A 22 73.313 -8.653 4.977 1.00 0.00 C ATOM 337 NZ LYS A 22 71.966 -8.016 4.957 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.886 -8.316 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 22 75.716 -9.518 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.558 -8.171 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.871 -9.703 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.232 -9.620 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.693 -10.585 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 22 75.022 -8.715 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.801 -7.549 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.228 -9.698 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.948 -8.162 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.666 -7.809 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.008 -7.131 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.283 -8.663 4.514 1.00 0.00 H new ATOM 351 N GLY A 23 75.402 -11.996 1.665 1.00 0.00 N ATOM 352 CA GLY A 23 75.409 -13.454 1.610 1.00 0.00 C ATOM 353 C GLY A 23 76.280 -13.958 0.464 1.00 0.00 C ATOM 354 O GLY A 23 76.015 -15.015 -0.109 1.00 0.00 O ATOM 0 H GLY A 23 75.745 -11.602 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.778 -13.854 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.390 -13.821 1.485 1.00 0.00 H new ATOM 358 N GLY A 24 77.319 -13.197 0.134 1.00 0.00 N ATOM 359 CA GLY A 24 78.220 -13.578 -0.946 1.00 0.00 C ATOM 360 C GLY A 24 79.392 -14.395 -0.420 1.00 0.00 C ATOM 361 O GLY A 24 79.234 -15.231 0.469 1.00 0.00 O ATOM 0 H GLY A 24 77.556 -12.319 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.675 -14.157 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.592 -12.684 -1.446 1.00 0.00 H new ATOM 365 N LYS A 25 80.570 -14.141 -0.979 1.00 0.00 N ATOM 366 CA LYS A 25 81.774 -14.852 -0.567 1.00 0.00 C ATOM 367 C LYS A 25 83.006 -13.979 -0.785 1.00 0.00 C ATOM 368 O LYS A 25 83.314 -13.592 -1.912 1.00 0.00 O ATOM 369 CB LYS A 25 81.911 -16.151 -1.367 1.00 0.00 C ATOM 370 CG LYS A 25 81.484 -15.905 -2.817 1.00 0.00 C ATOM 371 CD LYS A 25 81.953 -17.070 -3.692 1.00 0.00 C ATOM 372 CE LYS A 25 81.607 -16.781 -5.154 1.00 0.00 C ATOM 373 NZ LYS A 25 80.143 -16.962 -5.364 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.717 -13.451 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 25 81.694 -15.089 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.942 -16.503 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.294 -16.931 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.400 -15.805 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.910 -14.970 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.028 -17.211 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.476 -17.996 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.899 -15.763 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.165 -17.450 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.928 -16.899 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.854 -17.894 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.625 -16.219 -4.854 1.00 0.00 H new ATOM 387 N HIS A 26 83.707 -13.673 0.301 1.00 0.00 N ATOM 388 CA HIS A 26 84.903 -12.844 0.216 1.00 0.00 C ATOM 389 C HIS A 26 85.888 -13.424 -0.793 1.00 0.00 C ATOM 390 O HIS A 26 86.111 -14.634 -0.836 1.00 0.00 O ATOM 391 CB HIS A 26 85.573 -12.751 1.587 1.00 0.00 C ATOM 392 CG HIS A 26 85.821 -14.135 2.120 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.763 -14.984 1.559 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.261 -14.833 3.161 1.00 0.00 C ATOM 395 CE1 HIS A 26 86.742 -16.133 2.259 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.843 -16.094 3.248 1.00 0.00 N ATOM 0 H HIS A 26 83.470 -13.984 1.243 1.00 0.00 H new ATOM 0 HA HIS A 26 84.607 -11.848 -0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.514 -12.207 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.939 -12.193 2.276 1.00 0.00 H new ATOM 0 HD1 HIS A 26 87.363 -14.775 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.486 -14.460 3.814 1.00 0.00 H new ATOM 0 HE1 HIS A 26 87.374 -16.983 2.048 1.00 0.00 H new ATOM 405 N LYS A 27 86.474 -12.549 -1.604 1.00 0.00 N ATOM 406 CA LYS A 27 87.438 -12.972 -2.617 1.00 0.00 C ATOM 407 C LYS A 27 88.621 -12.011 -2.650 1.00 0.00 C ATOM 408 O LYS A 27 88.450 -10.812 -2.870 1.00 0.00 O ATOM 409 CB LYS A 27 86.767 -13.009 -3.993 1.00 0.00 C ATOM 410 CG LYS A 27 85.857 -14.243 -4.095 1.00 0.00 C ATOM 411 CD LYS A 27 84.677 -13.948 -5.027 1.00 0.00 C ATOM 412 CE LYS A 27 85.185 -13.746 -6.455 1.00 0.00 C ATOM 413 NZ LYS A 27 84.052 -13.335 -7.331 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.300 -11.544 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 27 87.797 -13.970 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.183 -12.102 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.524 -13.038 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.425 -15.094 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 27 85.490 -14.517 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 83.964 -14.772 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.149 -13.056 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.965 -12.985 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.631 -14.668 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.397 -13.197 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 83.322 -14.075 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.646 -12.445 -6.978 1.00 0.00 H new ATOM 427 N THR A 28 89.820 -12.541 -2.423 1.00 0.00 N ATOM 428 CA THR A 28 91.020 -11.710 -2.423 1.00 0.00 C ATOM 429 C THR A 28 90.757 -10.413 -1.666 1.00 0.00 C ATOM 430 O THR A 28 91.378 -9.383 -1.934 1.00 0.00 O ATOM 431 CB THR A 28 91.440 -11.394 -3.861 1.00 0.00 C ATOM 432 OG1 THR A 28 91.505 -12.601 -4.606 1.00 0.00 O ATOM 433 CG2 THR A 28 92.815 -10.711 -3.870 1.00 0.00 C ATOM 0 H THR A 28 89.986 -13.530 -2.239 1.00 0.00 H new ATOM 0 HA THR A 28 91.824 -12.255 -1.929 1.00 0.00 H new ATOM 0 HB THR A 28 90.708 -10.723 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.772 -12.402 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.105 -10.490 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.764 -9.783 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.553 -11.374 -3.419 1.00 0.00 H new ATOM 441 N GLY A 29 89.827 -10.476 -0.719 1.00 0.00 N ATOM 442 CA GLY A 29 89.473 -9.311 0.080 1.00 0.00 C ATOM 443 C GLY A 29 88.155 -9.549 0.813 1.00 0.00 C ATOM 444 O GLY A 29 87.332 -10.353 0.376 1.00 0.00 O ATOM 0 H GLY A 29 89.306 -11.321 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.264 -9.102 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.386 -8.434 -0.562 1.00 0.00 H new ATOM 448 N PRO A 30 87.944 -8.876 1.914 1.00 0.00 N ATOM 449 CA PRO A 30 86.696 -9.028 2.721 1.00 0.00 C ATOM 450 C PRO A 30 85.469 -8.468 2.001 1.00 0.00 C ATOM 451 O PRO A 30 85.580 -7.882 0.925 1.00 0.00 O ATOM 452 CB PRO A 30 86.991 -8.240 4.002 1.00 0.00 C ATOM 453 CG PRO A 30 88.041 -7.247 3.621 1.00 0.00 C ATOM 454 CD PRO A 30 88.866 -7.898 2.511 1.00 0.00 C ATOM 0 HA PRO A 30 86.456 -10.075 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.095 -7.742 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.342 -8.898 4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.589 -6.317 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.669 -6.998 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.200 -7.164 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.759 -8.381 2.908 1.00 0.00 H new ATOM 462 N ASN A 31 84.302 -8.654 2.610 1.00 0.00 N ATOM 463 CA ASN A 31 83.054 -8.168 2.031 1.00 0.00 C ATOM 464 C ASN A 31 82.705 -6.801 2.611 1.00 0.00 C ATOM 465 O ASN A 31 83.229 -6.414 3.653 1.00 0.00 O ATOM 466 CB ASN A 31 81.925 -9.156 2.335 1.00 0.00 C ATOM 467 CG ASN A 31 81.532 -9.070 3.806 1.00 0.00 C ATOM 468 OD1 ASN A 31 81.028 -8.040 4.256 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.733 -10.096 4.587 1.00 0.00 N ATOM 0 H ASN A 31 84.194 -9.137 3.502 1.00 0.00 H new ATOM 0 HA ASN A 31 83.177 -8.077 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 31 81.061 -8.937 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.245 -10.170 2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.473 -10.046 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.150 -10.948 4.212 1.00 0.00 H new ATOM 476 N LEU A 32 81.815 -6.076 1.936 1.00 0.00 N ATOM 477 CA LEU A 32 81.401 -4.752 2.408 1.00 0.00 C ATOM 478 C LEU A 32 79.923 -4.764 2.793 1.00 0.00 C ATOM 479 O LEU A 32 79.213 -3.780 2.590 1.00 0.00 O ATOM 480 CB LEU A 32 81.621 -3.684 1.326 1.00 0.00 C ATOM 481 CG LEU A 32 83.053 -3.736 0.767 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.331 -2.453 -0.027 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.072 -3.845 1.906 1.00 0.00 C ATOM 0 H LEU A 32 81.369 -6.377 1.069 1.00 0.00 H new ATOM 0 HA LEU A 32 82.010 -4.509 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.907 -3.833 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.428 -2.696 1.744 1.00 0.00 H new ATOM 0 HG LEU A 32 83.146 -4.610 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.345 -2.484 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.620 -2.373 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.226 -1.589 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.079 -3.881 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.980 -2.979 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.883 -4.754 2.478 1.00 0.00 H new ATOM 495 N HIS A 33 79.463 -5.882 3.347 1.00 0.00 N ATOM 496 CA HIS A 33 78.066 -6.003 3.754 1.00 0.00 C ATOM 497 C HIS A 33 77.736 -4.979 4.838 1.00 0.00 C ATOM 498 O HIS A 33 78.565 -4.694 5.701 1.00 0.00 O ATOM 499 CB HIS A 33 77.797 -7.412 4.285 1.00 0.00 C ATOM 500 CG HIS A 33 78.092 -8.421 3.209 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.485 -9.719 3.502 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.053 -8.342 1.838 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.666 -10.360 2.333 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.416 -9.567 1.288 1.00 0.00 N ATOM 0 H HIS A 33 80.031 -6.711 3.523 1.00 0.00 H new ATOM 0 HA HIS A 33 77.435 -5.816 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.417 -7.606 5.160 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.759 -7.499 4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.782 -7.462 1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.976 -11.391 2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.478 -9.808 0.299 1.00 0.00 H new ATOM 513 N GLY A 34 76.522 -4.429 4.787 1.00 0.00 N ATOM 514 CA GLY A 34 76.095 -3.434 5.772 1.00 0.00 C ATOM 515 C GLY A 34 77.275 -2.574 6.216 1.00 0.00 C ATOM 516 O GLY A 34 77.353 -2.148 7.368 1.00 0.00 O ATOM 0 H GLY A 34 75.822 -4.653 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.318 -2.801 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.658 -3.935 6.636 1.00 0.00 H new ATOM 520 N LEU A 35 78.193 -2.339 5.287 1.00 0.00 N ATOM 521 CA LEU A 35 79.381 -1.545 5.567 1.00 0.00 C ATOM 522 C LEU A 35 79.022 -0.242 6.282 1.00 0.00 C ATOM 523 O LEU A 35 79.509 0.039 7.374 1.00 0.00 O ATOM 524 CB LEU A 35 80.087 -1.228 4.240 1.00 0.00 C ATOM 525 CG LEU A 35 81.314 -0.330 4.478 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.552 -1.199 4.707 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.547 0.561 3.252 1.00 0.00 C ATOM 0 H LEU A 35 78.137 -2.689 4.330 1.00 0.00 H new ATOM 0 HA LEU A 35 80.039 -2.116 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.396 -2.155 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.393 -0.731 3.562 1.00 0.00 H new ATOM 0 HG LEU A 35 81.135 0.292 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.419 -0.560 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.395 -1.834 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.726 -1.823 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.416 1.196 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.721 -0.064 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.669 1.185 3.084 1.00 0.00 H new ATOM 539 N PHE A 36 78.177 0.552 5.650 1.00 0.00 N ATOM 540 CA PHE A 36 77.773 1.833 6.217 1.00 0.00 C ATOM 541 C PHE A 36 77.201 1.666 7.625 1.00 0.00 C ATOM 542 O PHE A 36 76.000 1.455 7.792 1.00 0.00 O ATOM 543 CB PHE A 36 76.731 2.499 5.311 1.00 0.00 C ATOM 544 CG PHE A 36 77.217 2.481 3.877 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.081 1.319 3.104 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.810 3.622 3.320 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.538 1.300 1.781 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.267 3.601 2.000 1.00 0.00 C ATOM 549 CZ PHE A 36 78.132 2.440 1.230 1.00 0.00 C ATOM 0 H PHE A 36 77.756 0.337 4.746 1.00 0.00 H new ATOM 0 HA PHE A 36 78.659 2.464 6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.779 1.975 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.557 3.526 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.623 0.438 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.914 4.519 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.432 0.405 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.725 4.481 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.487 2.424 0.210 1.00 0.00 H new ATOM 559 N GLY A 37 78.064 1.786 8.639 1.00 0.00 N ATOM 560 CA GLY A 37 77.614 1.670 10.026 1.00 0.00 C ATOM 561 C GLY A 37 78.591 0.885 10.903 1.00 0.00 C ATOM 562 O GLY A 37 78.649 1.101 12.113 1.00 0.00 O ATOM 0 H GLY A 37 79.063 1.961 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.479 2.668 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.640 1.181 10.047 1.00 0.00 H new ATOM 566 N ARG A 38 79.343 -0.036 10.305 1.00 0.00 N ATOM 567 CA ARG A 38 80.289 -0.846 11.080 1.00 0.00 C ATOM 568 C ARG A 38 81.651 -0.158 11.191 1.00 0.00 C ATOM 569 O ARG A 38 82.089 0.531 10.270 1.00 0.00 O ATOM 570 CB ARG A 38 80.462 -2.225 10.427 1.00 0.00 C ATOM 571 CG ARG A 38 79.633 -3.279 11.174 1.00 0.00 C ATOM 572 CD ARG A 38 80.051 -4.680 10.718 1.00 0.00 C ATOM 573 NE ARG A 38 79.451 -4.991 9.423 1.00 0.00 N ATOM 574 CZ ARG A 38 80.050 -5.804 8.553 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.203 -6.348 8.839 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.479 -6.061 7.409 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.320 -0.240 9.306 1.00 0.00 H new ATOM 0 HA ARG A 38 79.881 -0.964 12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.151 -2.182 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.514 -2.509 10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.780 -3.177 12.249 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.571 -3.125 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.137 -4.738 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.740 -5.418 11.457 1.00 0.00 H new ATOM 0 HE ARG A 38 78.552 -4.576 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.652 -6.152 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.654 -6.969 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.578 -5.640 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.934 -6.683 6.740 1.00 0.00 H new ATOM 590 N LYS A 39 82.315 -0.363 12.329 1.00 0.00 N ATOM 591 CA LYS A 39 83.629 0.230 12.567 1.00 0.00 C ATOM 592 C LYS A 39 84.681 -0.397 11.651 1.00 0.00 C ATOM 593 O LYS A 39 84.420 -1.402 10.990 1.00 0.00 O ATOM 594 CB LYS A 39 84.034 0.035 14.035 1.00 0.00 C ATOM 595 CG LYS A 39 83.460 1.171 14.896 1.00 0.00 C ATOM 596 CD LYS A 39 84.460 2.330 14.960 1.00 0.00 C ATOM 597 CE LYS A 39 83.901 3.439 15.853 1.00 0.00 C ATOM 598 NZ LYS A 39 84.689 4.687 15.647 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.965 -0.934 13.098 1.00 0.00 H new ATOM 0 HA LYS A 39 83.570 1.296 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.669 -0.926 14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.120 0.016 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.515 1.516 14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.247 0.806 15.901 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.414 1.979 15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.650 2.716 13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.852 3.616 15.618 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.946 3.136 16.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.309 5.441 16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.685 4.513 15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.624 4.978 14.651 1.00 0.00 H new ATOM 612 N THR A 40 85.867 0.207 11.615 1.00 0.00 N ATOM 613 CA THR A 40 86.948 -0.297 10.772 1.00 0.00 C ATOM 614 C THR A 40 87.418 -1.671 11.239 1.00 0.00 C ATOM 615 O THR A 40 87.436 -1.960 12.435 1.00 0.00 O ATOM 616 CB THR A 40 88.126 0.680 10.788 1.00 0.00 C ATOM 617 OG1 THR A 40 88.415 1.055 12.127 1.00 0.00 O ATOM 618 CG2 THR A 40 87.767 1.924 9.975 1.00 0.00 C ATOM 0 H THR A 40 86.103 1.039 12.155 1.00 0.00 H new ATOM 0 HA THR A 40 86.564 -0.391 9.756 1.00 0.00 H new ATOM 0 HB THR A 40 89.001 0.200 10.350 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.020 0.397 12.528 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.606 2.620 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.548 1.636 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.891 2.404 10.412 1.00 0.00 H new ATOM 626 N GLY A 41 87.805 -2.510 10.282 1.00 0.00 N ATOM 627 CA GLY A 41 88.284 -3.851 10.598 1.00 0.00 C ATOM 628 C GLY A 41 87.303 -4.590 11.498 1.00 0.00 C ATOM 629 O GLY A 41 87.683 -5.130 12.536 1.00 0.00 O ATOM 0 H GLY A 41 87.796 -2.286 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.430 -4.414 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.255 -3.787 11.090 1.00 0.00 H new ATOM 633 N GLN A 42 86.039 -4.610 11.092 1.00 0.00 N ATOM 634 CA GLN A 42 85.005 -5.288 11.872 1.00 0.00 C ATOM 635 C GLN A 42 84.640 -6.620 11.229 1.00 0.00 C ATOM 636 O GLN A 42 84.065 -7.495 11.876 1.00 0.00 O ATOM 637 CB GLN A 42 83.753 -4.411 11.970 1.00 0.00 C ATOM 638 CG GLN A 42 83.986 -3.291 12.984 1.00 0.00 C ATOM 639 CD GLN A 42 83.990 -3.858 14.398 1.00 0.00 C ATOM 640 OE1 GLN A 42 84.901 -3.577 15.179 1.00 0.00 O ATOM 641 NE2 GLN A 42 83.022 -4.646 14.779 1.00 0.00 N ATOM 0 H GLN A 42 85.705 -4.169 10.235 1.00 0.00 H new ATOM 0 HA GLN A 42 85.397 -5.470 12.873 1.00 0.00 H new ATOM 0 HB2 GLN A 42 83.517 -3.987 10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 42 82.897 -5.015 12.271 1.00 0.00 H new ATOM 0 HG2 GLN A 42 84.936 -2.796 12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.206 -2.536 12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.268 -4.878 14.132 1.00 0.00 H new ATOM 0 HE22 GLN A 42 83.019 -5.030 15.724 1.00 0.00 H new ATOM 701 N THR A 47 91.786 -11.300 7.210 1.00 0.00 N ATOM 702 CA THR A 47 92.648 -10.894 8.315 1.00 0.00 C ATOM 703 C THR A 47 92.953 -9.402 8.227 1.00 0.00 C ATOM 704 O THR A 47 93.972 -8.996 7.668 1.00 0.00 O ATOM 705 CB THR A 47 93.955 -11.689 8.282 1.00 0.00 C ATOM 706 OG1 THR A 47 93.662 -13.070 8.120 1.00 0.00 O ATOM 707 CG2 THR A 47 94.718 -11.477 9.589 1.00 0.00 C ATOM 0 HA THR A 47 92.129 -11.096 9.252 1.00 0.00 H new ATOM 0 HB THR A 47 94.568 -11.346 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.796 -13.170 7.673 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.648 -12.044 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.942 -10.417 9.712 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.108 -11.818 10.426 1.00 0.00 H new ATOM 715 N TYR A 48 92.056 -8.592 8.779 1.00 0.00 N ATOM 716 CA TYR A 48 92.226 -7.143 8.756 1.00 0.00 C ATOM 717 C TYR A 48 93.527 -6.734 9.437 1.00 0.00 C ATOM 718 O TYR A 48 94.037 -7.440 10.306 1.00 0.00 O ATOM 719 CB TYR A 48 91.041 -6.474 9.458 1.00 0.00 C ATOM 720 CG TYR A 48 89.920 -6.279 8.471 1.00 0.00 C ATOM 721 CD1 TYR A 48 88.998 -7.305 8.246 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.804 -5.069 7.783 1.00 0.00 C ATOM 723 CE1 TYR A 48 87.956 -7.119 7.331 1.00 0.00 C ATOM 724 CE2 TYR A 48 88.764 -4.879 6.873 1.00 0.00 C ATOM 725 CZ TYR A 48 87.839 -5.904 6.645 1.00 0.00 C ATOM 726 OH TYR A 48 86.809 -5.711 5.752 1.00 0.00 O ATOM 0 H TYR A 48 91.207 -8.912 9.246 1.00 0.00 H new ATOM 0 HA TYR A 48 92.268 -6.818 7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.703 -7.090 10.292 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.345 -5.514 9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 48 89.090 -8.240 8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 48 90.520 -4.280 7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 48 87.243 -7.911 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 48 88.673 -3.941 6.345 1.00 0.00 H new ATOM 0 HH TYR A 48 86.875 -4.813 5.365 1.00 0.00 H new ATOM 736 N THR A 49 94.058 -5.584 9.030 1.00 0.00 N ATOM 737 CA THR A 49 95.301 -5.081 9.603 1.00 0.00 C ATOM 738 C THR A 49 95.036 -4.397 10.941 1.00 0.00 C ATOM 739 O THR A 49 93.899 -4.043 11.254 1.00 0.00 O ATOM 740 CB THR A 49 95.955 -4.089 8.638 1.00 0.00 C ATOM 741 OG1 THR A 49 95.114 -2.954 8.486 1.00 0.00 O ATOM 742 CG2 THR A 49 96.163 -4.760 7.279 1.00 0.00 C ATOM 0 H THR A 49 93.650 -4.987 8.311 1.00 0.00 H new ATOM 0 HA THR A 49 95.973 -5.924 9.767 1.00 0.00 H new ATOM 0 HB THR A 49 96.920 -3.775 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.661 -2.166 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.629 -4.054 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.809 -5.630 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.200 -5.075 6.878 1.00 0.00 H new ATOM 750 N ASP A 50 96.092 -4.219 11.729 1.00 0.00 N ATOM 751 CA ASP A 50 95.961 -3.577 13.034 1.00 0.00 C ATOM 752 C ASP A 50 95.419 -2.161 12.887 1.00 0.00 C ATOM 753 O ASP A 50 94.786 -1.633 13.799 1.00 0.00 O ATOM 754 CB ASP A 50 97.321 -3.539 13.735 1.00 0.00 C ATOM 755 CG ASP A 50 98.032 -4.876 13.561 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.362 -5.894 13.623 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.237 -4.862 13.369 1.00 0.00 O1- ATOM 0 H ASP A 50 97.041 -4.507 11.490 1.00 0.00 H new ATOM 0 HA ASP A 50 95.260 -4.157 13.634 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.931 -2.736 13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.188 -3.323 14.795 1.00 0.00 H new ATOM 762 N ALA A 51 95.668 -1.551 11.733 1.00 0.00 N ATOM 763 CA ALA A 51 95.195 -0.196 11.483 1.00 0.00 C ATOM 764 C ALA A 51 93.674 -0.172 11.376 1.00 0.00 C ATOM 765 O ALA A 51 93.026 0.750 11.864 1.00 0.00 O ATOM 766 CB ALA A 51 95.808 0.342 10.191 1.00 0.00 C ATOM 0 H ALA A 51 96.190 -1.969 10.963 1.00 0.00 H new ATOM 0 HA ALA A 51 95.500 0.435 12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.449 1.355 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.894 0.353 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.519 -0.298 9.357 1.00 0.00 H new ATOM 772 N ASN A 52 93.112 -1.192 10.738 1.00 0.00 N ATOM 773 CA ASN A 52 91.664 -1.277 10.580 1.00 0.00 C ATOM 774 C ASN A 52 91.024 -1.827 11.851 1.00 0.00 C ATOM 775 O ASN A 52 89.859 -1.556 12.142 1.00 0.00 O ATOM 776 CB ASN A 52 91.317 -2.182 9.395 1.00 0.00 C ATOM 777 CG ASN A 52 91.471 -1.416 8.086 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.244 -0.460 8.010 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.776 -1.781 7.043 1.00 0.00 N ATOM 0 H ASN A 52 93.631 -1.966 10.324 1.00 0.00 H new ATOM 0 HA ASN A 52 91.276 -0.276 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 52 91.968 -3.056 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.295 -2.547 9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.873 -1.274 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.136 -2.573 7.108 1.00 0.00 H new ATOM 786 N LYS A 53 91.800 -2.593 12.610 1.00 0.00 N ATOM 787 CA LYS A 53 91.313 -3.173 13.854 1.00 0.00 C ATOM 788 C LYS A 53 91.450 -2.147 14.971 1.00 0.00 C ATOM 789 O LYS A 53 90.903 -2.314 16.061 1.00 0.00 O ATOM 790 CB LYS A 53 92.115 -4.449 14.172 1.00 0.00 C ATOM 791 CG LYS A 53 92.371 -4.575 15.679 1.00 0.00 C ATOM 792 CD LYS A 53 93.051 -5.914 15.971 1.00 0.00 C ATOM 793 CE LYS A 53 92.960 -6.220 17.468 1.00 0.00 C ATOM 794 NZ LYS A 53 93.766 -7.435 17.776 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.767 -2.826 12.385 1.00 0.00 H new ATOM 0 HA LYS A 53 90.262 -3.444 13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.569 -5.324 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.065 -4.428 13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.000 -3.753 16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.430 -4.506 16.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.574 -6.709 15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.095 -5.879 15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.326 -5.372 18.046 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.920 -6.378 17.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.705 -7.644 18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.398 -8.243 17.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.759 -7.268 17.516 1.00 0.00 H new ATOM 808 N ASN A 54 92.185 -1.082 14.681 1.00 0.00 N ATOM 809 CA ASN A 54 92.395 -0.023 15.654 1.00 0.00 C ATOM 810 C ASN A 54 91.075 0.663 15.975 1.00 0.00 C ATOM 811 O ASN A 54 90.937 1.330 17.001 1.00 0.00 O ATOM 812 CB ASN A 54 93.380 0.998 15.084 1.00 0.00 C ATOM 813 CG ASN A 54 92.647 2.059 14.265 1.00 0.00 C ATOM 814 OD1 ASN A 54 92.982 3.240 14.337 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.663 1.704 13.486 1.00 0.00 N ATOM 0 H ASN A 54 92.644 -0.930 13.783 1.00 0.00 H new ATOM 0 HA ASN A 54 92.800 -0.453 16.570 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.929 1.474 15.897 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.114 0.491 14.458 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.170 2.407 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.387 0.724 13.428 1.00 0.00 H new ATOM 822 N LYS A 55 90.111 0.486 15.087 1.00 0.00 N ATOM 823 CA LYS A 55 88.792 1.084 15.272 1.00 0.00 C ATOM 824 C LYS A 55 88.917 2.586 15.504 1.00 0.00 C ATOM 825 O LYS A 55 88.584 3.088 16.578 1.00 0.00 O ATOM 826 CB LYS A 55 88.088 0.438 16.468 1.00 0.00 C ATOM 827 CG LYS A 55 87.765 -1.023 16.142 1.00 0.00 C ATOM 828 CD LYS A 55 87.483 -1.791 17.439 1.00 0.00 C ATOM 829 CE LYS A 55 86.256 -1.198 18.144 1.00 0.00 C ATOM 830 NZ LYS A 55 86.705 -0.278 19.228 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.212 -0.063 14.234 1.00 0.00 H new ATOM 0 HA LYS A 55 88.204 0.913 14.370 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.724 0.493 17.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.172 0.981 16.701 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.900 -1.076 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.600 -1.481 15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.312 -2.844 17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 55 88.350 -1.741 18.097 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.636 -0.659 17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 85.641 -1.996 18.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.963 -0.209 19.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 87.577 -0.647 19.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 86.888 0.665 18.829 1.00 0.00 H new ATOM 844 N GLY A 56 89.407 3.297 14.493 1.00 0.00 N ATOM 845 CA GLY A 56 89.579 4.743 14.601 1.00 0.00 C ATOM 846 C GLY A 56 88.323 5.487 14.160 1.00 0.00 C ATOM 847 O GLY A 56 87.942 6.491 14.764 1.00 0.00 O ATOM 0 H GLY A 56 89.690 2.900 13.597 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.817 5.007 15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.424 5.057 13.988 1.00 0.00 H new ATOM 851 N ILE A 57 87.682 4.992 13.106 1.00 0.00 N ATOM 852 CA ILE A 57 86.469 5.623 12.593 1.00 0.00 C ATOM 853 C ILE A 57 85.489 4.568 12.093 1.00 0.00 C ATOM 854 O ILE A 57 85.803 3.378 12.077 1.00 0.00 O ATOM 855 CB ILE A 57 86.819 6.586 11.456 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.341 5.795 10.242 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.904 7.555 11.933 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.172 5.298 9.379 1.00 0.00 C ATOM 0 H ILE A 57 87.979 4.162 12.593 1.00 0.00 H new ATOM 0 HA ILE A 57 86.000 6.181 13.404 1.00 0.00 H new ATOM 0 HB ILE A 57 85.927 7.141 11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.998 6.427 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.936 4.947 10.582 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.157 8.243 11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.537 8.119 12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.792 6.993 12.222 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.560 4.741 8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.531 4.648 9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.594 6.151 9.023 1.00 0.00 H new ATOM 870 N THR A 58 84.302 5.011 11.690 1.00 0.00 N ATOM 871 CA THR A 58 83.278 4.094 11.196 1.00 0.00 C ATOM 872 C THR A 58 82.967 4.355 9.728 1.00 0.00 C ATOM 873 O THR A 58 82.903 5.505 9.291 1.00 0.00 O ATOM 874 CB THR A 58 81.997 4.249 12.022 1.00 0.00 C ATOM 875 OG1 THR A 58 82.230 3.781 13.343 1.00 0.00 O ATOM 876 CG2 THR A 58 80.867 3.437 11.385 1.00 0.00 C ATOM 0 H THR A 58 84.026 5.993 11.695 1.00 0.00 H new ATOM 0 HA THR A 58 83.661 3.078 11.294 1.00 0.00 H new ATOM 0 HB THR A 58 81.711 5.300 12.050 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.413 3.881 13.874 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.959 3.551 11.977 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.687 3.796 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.149 2.385 11.352 1.00 0.00 H new ATOM 884 N TRP A 59 82.763 3.279 8.974 1.00 0.00 N ATOM 885 CA TRP A 59 82.444 3.408 7.560 1.00 0.00 C ATOM 886 C TRP A 59 81.122 4.147 7.394 1.00 0.00 C ATOM 887 O TRP A 59 80.164 3.898 8.127 1.00 0.00 O ATOM 888 CB TRP A 59 82.330 2.032 6.902 1.00 0.00 C ATOM 889 CG TRP A 59 83.452 1.143 7.345 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.747 1.515 7.463 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.397 -0.267 7.720 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.489 0.421 7.880 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.699 -0.697 8.059 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.354 -1.204 7.797 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.954 -2.009 8.462 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.608 -2.524 8.199 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.905 -2.925 8.532 1.00 0.00 C ATOM 0 H TRP A 59 82.813 2.319 9.315 1.00 0.00 H new ATOM 0 HA TRP A 59 83.247 3.967 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.374 1.577 7.161 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.349 2.138 5.817 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.138 2.502 7.265 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.497 0.440 8.036 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.347 -0.906 7.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.958 -2.313 8.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.796 -3.235 8.251 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.094 -3.942 8.843 1.00 0.00 H new ATOM 908 N LYS A 60 81.078 5.054 6.431 1.00 0.00 N ATOM 909 CA LYS A 60 79.872 5.829 6.169 1.00 0.00 C ATOM 910 C LYS A 60 79.879 6.313 4.725 1.00 0.00 C ATOM 911 O LYS A 60 80.633 5.800 3.901 1.00 0.00 O ATOM 912 CB LYS A 60 79.800 7.025 7.123 1.00 0.00 C ATOM 913 CG LYS A 60 79.604 6.528 8.560 1.00 0.00 C ATOM 914 CD LYS A 60 79.194 7.696 9.462 1.00 0.00 C ATOM 915 CE LYS A 60 80.414 8.571 9.755 1.00 0.00 C ATOM 916 NZ LYS A 60 80.052 9.601 10.769 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.863 5.273 5.817 1.00 0.00 H new ATOM 0 HA LYS A 60 78.998 5.198 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.715 7.614 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.976 7.680 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.839 5.752 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.526 6.079 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.417 8.288 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.772 7.319 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.236 7.957 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.759 9.052 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.880 10.197 10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.280 10.193 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.743 9.133 11.644 1.00 0.00 H new ATOM 930 N GLU A 61 79.043 7.296 4.417 1.00 0.00 N ATOM 931 CA GLU A 61 78.984 7.820 3.058 1.00 0.00 C ATOM 932 C GLU A 61 80.178 8.728 2.778 1.00 0.00 C ATOM 933 O GLU A 61 80.952 8.481 1.853 1.00 0.00 O ATOM 934 CB GLU A 61 77.687 8.605 2.857 1.00 0.00 C ATOM 935 CG GLU A 61 77.537 8.974 1.379 1.00 0.00 C ATOM 936 CD GLU A 61 76.226 9.720 1.159 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.214 9.259 1.657 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.254 10.741 0.492 1.00 0.00 O ATOM 0 H GLU A 61 78.406 7.741 5.077 1.00 0.00 H new ATOM 0 HA GLU A 61 79.012 6.979 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.834 8.009 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.697 9.507 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.376 9.595 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.559 8.073 0.766 1.00 0.00 H new ATOM 945 N GLU A 62 80.322 9.778 3.579 1.00 0.00 N ATOM 946 CA GLU A 62 81.424 10.717 3.396 1.00 0.00 C ATOM 947 C GLU A 62 82.760 10.072 3.757 1.00 0.00 C ATOM 948 O GLU A 62 83.772 10.318 3.102 1.00 0.00 O ATOM 949 CB GLU A 62 81.200 11.966 4.257 1.00 0.00 C ATOM 950 CG GLU A 62 80.575 11.566 5.598 1.00 0.00 C ATOM 951 CD GLU A 62 80.850 12.640 6.645 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.987 12.739 7.079 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 79.921 13.347 6.998 1.00 0.00 O ATOM 0 H GLU A 62 79.697 10.000 4.354 1.00 0.00 H new ATOM 0 HA GLU A 62 81.454 11.003 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 62 82.148 12.478 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 62 80.547 12.666 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.500 11.428 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 62 80.984 10.611 5.929 1.00 0.00 H new ATOM 960 N THR A 63 82.761 9.244 4.795 1.00 0.00 N ATOM 961 CA THR A 63 83.988 8.576 5.212 1.00 0.00 C ATOM 962 C THR A 63 84.529 7.732 4.069 1.00 0.00 C ATOM 963 O THR A 63 85.740 7.631 3.873 1.00 0.00 O ATOM 964 CB THR A 63 83.721 7.681 6.421 1.00 0.00 C ATOM 965 OG1 THR A 63 82.790 6.672 6.062 1.00 0.00 O ATOM 966 CG2 THR A 63 83.153 8.518 7.563 1.00 0.00 C ATOM 0 H THR A 63 81.939 9.021 5.356 1.00 0.00 H new ATOM 0 HA THR A 63 84.722 9.334 5.486 1.00 0.00 H new ATOM 0 HB THR A 63 84.654 7.218 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.272 5.882 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.963 7.877 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.869 9.293 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.220 8.983 7.244 1.00 0.00 H new ATOM 974 N LEU A 64 83.618 7.126 3.316 1.00 0.00 N ATOM 975 CA LEU A 64 84.010 6.293 2.191 1.00 0.00 C ATOM 976 C LEU A 64 84.581 7.158 1.070 1.00 0.00 C ATOM 977 O LEU A 64 85.470 6.726 0.340 1.00 0.00 O ATOM 978 CB LEU A 64 82.806 5.503 1.664 1.00 0.00 C ATOM 979 CG LEU A 64 82.884 4.036 2.113 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.524 3.363 1.888 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.962 3.300 1.300 1.00 0.00 C ATOM 0 H LEU A 64 82.611 7.196 3.464 1.00 0.00 H new ATOM 0 HA LEU A 64 84.773 5.593 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.882 5.952 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.778 5.555 0.576 1.00 0.00 H new ATOM 0 HG LEU A 64 83.142 3.995 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.576 2.322 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.761 3.882 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.267 3.407 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.014 2.260 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.709 3.340 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.928 3.778 1.461 1.00 0.00 H new ATOM 993 N MET A 65 84.055 8.375 0.931 1.00 0.00 N ATOM 994 CA MET A 65 84.524 9.277 -0.119 1.00 0.00 C ATOM 995 C MET A 65 86.003 9.597 0.055 1.00 0.00 C ATOM 996 O MET A 65 86.809 9.353 -0.844 1.00 0.00 O ATOM 997 CB MET A 65 83.718 10.577 -0.098 1.00 0.00 C ATOM 998 CG MET A 65 82.262 10.275 -0.441 1.00 0.00 C ATOM 999 SD MET A 65 81.250 11.742 -0.121 1.00 0.00 S ATOM 1000 CE MET A 65 81.004 12.230 -1.842 1.00 0.00 C ATOM 0 H MET A 65 83.315 8.754 1.522 1.00 0.00 H new ATOM 0 HA MET A 65 84.385 8.776 -1.077 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.783 11.042 0.886 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.132 11.287 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.177 9.983 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.903 9.436 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.393 13.132 -1.881 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.970 12.426 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.499 11.427 -2.379 1.00 0.00 H new ATOM 1010 N GLU A 66 86.361 10.135 1.214 1.00 0.00 N ATOM 1011 CA GLU A 66 87.753 10.469 1.482 1.00 0.00 C ATOM 1012 C GLU A 66 88.604 9.209 1.407 1.00 0.00 C ATOM 1013 O GLU A 66 89.777 9.252 1.042 1.00 0.00 O ATOM 1014 CB GLU A 66 87.882 11.098 2.870 1.00 0.00 C ATOM 1015 CG GLU A 66 86.996 12.341 2.954 1.00 0.00 C ATOM 1016 CD GLU A 66 87.369 13.165 4.182 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.103 12.707 5.281 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.915 14.242 4.005 1.00 0.00 O1- ATOM 0 H GLU A 66 85.716 10.347 1.975 1.00 0.00 H new ATOM 0 HA GLU A 66 88.099 11.184 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.590 10.379 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.921 11.366 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.113 12.943 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.948 12.048 3.007 1.00 0.00 H new ATOM 1025 N TYR A 67 87.988 8.087 1.752 1.00 0.00 N ATOM 1026 CA TYR A 67 88.670 6.801 1.722 1.00 0.00 C ATOM 1027 C TYR A 67 88.754 6.278 0.290 1.00 0.00 C ATOM 1028 O TYR A 67 89.659 5.519 -0.052 1.00 0.00 O ATOM 1029 CB TYR A 67 87.907 5.809 2.606 1.00 0.00 C ATOM 1030 CG TYR A 67 88.308 4.388 2.282 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.714 3.722 1.203 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.262 3.732 3.069 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.075 2.404 0.907 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.622 2.410 2.775 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.029 1.747 1.694 1.00 0.00 C ATOM 1036 OH TYR A 67 89.384 0.445 1.404 1.00 0.00 O ATOM 0 H TYR A 67 87.016 8.041 2.056 1.00 0.00 H new ATOM 0 HA TYR A 67 89.685 6.920 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.110 6.019 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.834 5.932 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.976 4.227 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.720 4.244 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.618 1.893 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.357 1.903 3.382 1.00 0.00 H new ATOM 0 HH TYR A 67 89.030 0.198 0.524 1.00 0.00 H new ATOM 1046 N LEU A 68 87.794 6.684 -0.536 1.00 0.00 N ATOM 1047 CA LEU A 68 87.749 6.244 -1.927 1.00 0.00 C ATOM 1048 C LEU A 68 88.753 7.018 -2.782 1.00 0.00 C ATOM 1049 O LEU A 68 89.168 6.546 -3.841 1.00 0.00 O ATOM 1050 CB LEU A 68 86.326 6.431 -2.483 1.00 0.00 C ATOM 1051 CG LEU A 68 85.532 5.123 -2.361 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.066 5.375 -2.716 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.096 4.068 -3.315 1.00 0.00 C ATOM 0 H LEU A 68 87.039 7.315 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 68 88.018 5.188 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.817 7.226 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.374 6.740 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 68 85.612 4.764 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.505 4.444 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.649 6.116 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 68 83.998 5.745 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.523 3.146 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.028 4.431 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.140 3.875 -3.068 1.00 0.00 H new ATOM 1065 N GLU A 69 89.141 8.203 -2.321 1.00 0.00 N ATOM 1066 CA GLU A 69 90.099 9.021 -3.063 1.00 0.00 C ATOM 1067 C GLU A 69 91.524 8.715 -2.610 1.00 0.00 C ATOM 1068 O GLU A 69 92.493 9.107 -3.261 1.00 0.00 O ATOM 1069 CB GLU A 69 89.788 10.511 -2.857 1.00 0.00 C ATOM 1070 CG GLU A 69 90.546 11.048 -1.639 1.00 0.00 C ATOM 1071 CD GLU A 69 89.917 12.354 -1.166 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.701 12.441 -1.177 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 90.662 13.249 -0.798 1.00 0.00 O ATOM 0 H GLU A 69 88.813 8.616 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 69 90.013 8.784 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.069 11.075 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.716 10.650 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.525 10.313 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.593 11.211 -1.895 1.00 0.00 H new ATOM 1080 N ASN A 70 91.639 8.014 -1.489 1.00 0.00 N ATOM 1081 CA ASN A 70 92.946 7.657 -0.946 1.00 0.00 C ATOM 1082 C ASN A 70 92.776 6.718 0.249 1.00 0.00 C ATOM 1083 O ASN A 70 92.970 7.105 1.401 1.00 0.00 O ATOM 1084 CB ASN A 70 93.700 8.928 -0.526 1.00 0.00 C ATOM 1085 CG ASN A 70 95.190 8.785 -0.826 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.716 9.472 -1.702 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.903 7.928 -0.149 1.00 0.00 N ATOM 0 H ASN A 70 90.847 7.682 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 70 93.525 7.143 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.297 9.790 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.553 9.111 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.899 7.826 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.465 7.360 0.576 1.00 0.00 H new ATOM 1094 N PRO A 71 92.399 5.497 -0.019 1.00 0.00 N ATOM 1095 CA PRO A 71 92.168 4.459 1.034 1.00 0.00 C ATOM 1096 C PRO A 71 93.341 4.306 2.004 1.00 0.00 C ATOM 1097 O PRO A 71 93.160 3.888 3.148 1.00 0.00 O ATOM 1098 CB PRO A 71 91.971 3.166 0.230 1.00 0.00 C ATOM 1099 CG PRO A 71 91.523 3.600 -1.127 1.00 0.00 C ATOM 1100 CD PRO A 71 92.149 4.972 -1.372 1.00 0.00 C ATOM 0 HA PRO A 71 91.322 4.724 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.898 2.595 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.228 2.521 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.842 2.887 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.436 3.655 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.072 4.893 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.479 5.622 -1.935 1.00 0.00 H new ATOM 1108 N LYS A 72 94.543 4.615 1.535 1.00 0.00 N ATOM 1109 CA LYS A 72 95.734 4.471 2.366 1.00 0.00 C ATOM 1110 C LYS A 72 95.872 5.601 3.385 1.00 0.00 C ATOM 1111 O LYS A 72 96.145 5.353 4.560 1.00 0.00 O ATOM 1112 CB LYS A 72 96.980 4.444 1.479 1.00 0.00 C ATOM 1113 CG LYS A 72 98.213 4.075 2.325 1.00 0.00 C ATOM 1114 CD LYS A 72 98.746 2.700 1.907 1.00 0.00 C ATOM 1115 CE LYS A 72 97.769 1.607 2.350 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.592 1.670 3.828 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.720 4.964 0.593 1.00 0.00 H new ATOM 0 HA LYS A 72 95.633 3.535 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.850 3.720 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.126 5.418 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.990 4.829 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.949 4.065 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.879 2.665 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.725 2.528 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.809 1.739 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.147 0.627 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.206 0.767 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.511 1.848 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.934 2.440 4.066 1.00 0.00 H new ATOM 1130 N LYS A 73 95.718 6.838 2.931 1.00 0.00 N ATOM 1131 CA LYS A 73 95.867 7.983 3.823 1.00 0.00 C ATOM 1132 C LYS A 73 94.780 8.006 4.900 1.00 0.00 C ATOM 1133 O LYS A 73 95.005 8.505 6.002 1.00 0.00 O ATOM 1134 CB LYS A 73 95.852 9.290 3.008 1.00 0.00 C ATOM 1135 CG LYS A 73 94.438 9.893 2.964 1.00 0.00 C ATOM 1136 CD LYS A 73 94.150 10.682 4.258 1.00 0.00 C ATOM 1137 CE LYS A 73 93.963 12.167 3.932 1.00 0.00 C ATOM 1138 NZ LYS A 73 92.680 12.356 3.197 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.493 7.074 1.964 1.00 0.00 H new ATOM 0 HA LYS A 73 96.826 7.891 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.544 10.007 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 73 96.200 9.095 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 94.343 10.551 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 73 93.701 9.099 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 73 93.254 10.291 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 73 94.973 10.556 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 93.958 12.754 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.797 12.526 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 92.390 13.353 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 92.809 12.090 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.945 11.756 3.623 1.00 0.00 H new ATOM 1152 N TYR A 74 93.603 7.478 4.579 1.00 0.00 N ATOM 1153 CA TYR A 74 92.506 7.469 5.541 1.00 0.00 C ATOM 1154 C TYR A 74 92.838 6.575 6.733 1.00 0.00 C ATOM 1155 O TYR A 74 92.835 7.027 7.878 1.00 0.00 O ATOM 1156 CB TYR A 74 91.214 6.988 4.865 1.00 0.00 C ATOM 1157 CG TYR A 74 90.030 7.740 5.435 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.941 9.128 5.273 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.025 7.051 6.125 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.849 9.827 5.801 1.00 0.00 C ATOM 1161 CE2 TYR A 74 87.933 7.751 6.652 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.845 9.138 6.491 1.00 0.00 C ATOM 1163 OH TYR A 74 86.769 9.827 7.012 1.00 0.00 O ATOM 0 H TYR A 74 93.386 7.057 3.676 1.00 0.00 H new ATOM 0 HA TYR A 74 92.360 8.486 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.274 7.147 3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.087 5.917 5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.715 9.660 4.740 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.092 5.980 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.781 10.898 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.157 7.220 7.184 1.00 0.00 H new ATOM 0 HH TYR A 74 86.164 9.199 7.459 1.00 0.00 H new ATOM 1173 N ILE A 75 93.132 5.308 6.456 1.00 0.00 N ATOM 1174 CA ILE A 75 93.474 4.359 7.514 1.00 0.00 C ATOM 1175 C ILE A 75 94.787 3.652 7.186 1.00 0.00 C ATOM 1176 O ILE A 75 94.800 2.462 6.869 1.00 0.00 O ATOM 1177 CB ILE A 75 92.354 3.325 7.670 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.016 4.049 7.861 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.632 2.445 8.892 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.865 3.068 7.628 1.00 0.00 C ATOM 0 H ILE A 75 93.141 4.915 5.515 1.00 0.00 H new ATOM 0 HA ILE A 75 93.591 4.905 8.450 1.00 0.00 H new ATOM 0 HB ILE A 75 92.311 2.702 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 75 90.956 4.464 8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 75 90.941 4.885 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.834 1.711 9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.584 1.930 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.677 3.067 9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.914 3.584 7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.922 2.674 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.937 2.246 8.341 1.00 0.00 H new ATOM 1192 N PRO A 76 95.883 4.365 7.251 1.00 0.00 N ATOM 1193 CA PRO A 76 97.233 3.807 6.950 1.00 0.00 C ATOM 1194 C PRO A 76 97.425 2.413 7.539 1.00 0.00 C ATOM 1195 O PRO A 76 97.031 2.149 8.674 1.00 0.00 O ATOM 1196 CB PRO A 76 98.183 4.816 7.595 1.00 0.00 C ATOM 1197 CG PRO A 76 97.453 6.120 7.543 1.00 0.00 C ATOM 1198 CD PRO A 76 95.957 5.789 7.621 1.00 0.00 C ATOM 0 HA PRO A 76 97.400 3.680 5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.419 4.536 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.128 4.870 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.751 6.764 8.370 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.684 6.657 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.563 5.961 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.376 6.409 6.938 1.00 0.00 H new ATOM 1206 N GLY A 77 98.032 1.524 6.758 1.00 0.00 N ATOM 1207 CA GLY A 77 98.270 0.155 7.207 1.00 0.00 C ATOM 1208 C GLY A 77 97.277 -0.802 6.558 1.00 0.00 C ATOM 1209 O GLY A 77 97.562 -1.986 6.386 1.00 0.00 O ATOM 0 H GLY A 77 98.367 1.725 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.288 -0.144 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.179 0.101 8.292 1.00 0.00 H new ATOM 1213 N THR A 78 96.112 -0.274 6.194 1.00 0.00 N ATOM 1214 CA THR A 78 95.079 -1.083 5.559 1.00 0.00 C ATOM 1215 C THR A 78 95.627 -1.770 4.314 1.00 0.00 C ATOM 1216 O THR A 78 96.427 -1.191 3.579 1.00 0.00 O ATOM 1217 CB THR A 78 93.897 -0.198 5.168 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.850 -1.008 4.650 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.350 0.798 4.104 1.00 0.00 C ATOM 0 H THR A 78 95.861 0.706 6.327 1.00 0.00 H new ATOM 0 HA THR A 78 94.751 -1.843 6.268 1.00 0.00 H new ATOM 0 HB THR A 78 93.534 0.341 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.091 -0.441 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.511 1.433 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.154 1.416 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.708 0.257 3.228 1.00 0.00 H new ATOM 1227 N LYS A 79 95.193 -3.005 4.078 1.00 0.00 N ATOM 1228 CA LYS A 79 95.655 -3.750 2.910 1.00 0.00 C ATOM 1229 C LYS A 79 94.769 -3.457 1.700 1.00 0.00 C ATOM 1230 O LYS A 79 93.766 -4.134 1.475 1.00 0.00 O ATOM 1231 CB LYS A 79 95.646 -5.256 3.210 1.00 0.00 C ATOM 1232 CG LYS A 79 96.950 -5.657 3.912 1.00 0.00 C ATOM 1233 CD LYS A 79 98.019 -5.994 2.868 1.00 0.00 C ATOM 1234 CE LYS A 79 99.329 -6.346 3.573 1.00 0.00 C ATOM 1235 NZ LYS A 79 100.282 -6.926 2.585 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.531 -3.506 4.671 1.00 0.00 H new ATOM 0 HA LYS A 79 96.673 -3.435 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.792 -5.505 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.533 -5.819 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.295 -4.843 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.776 -6.517 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.689 -6.831 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.170 -5.146 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.759 -5.455 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.142 -7.058 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 101.174 -7.166 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.870 -7.785 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.468 -6.232 1.833 1.00 0.00 H new ATOM 1249 N MET A 80 95.155 -2.449 0.920 1.00 0.00 N ATOM 1250 CA MET A 80 94.399 -2.074 -0.273 1.00 0.00 C ATOM 1251 C MET A 80 95.078 -0.911 -0.992 1.00 0.00 C ATOM 1252 O MET A 80 94.879 0.252 -0.640 1.00 0.00 O ATOM 1253 CB MET A 80 92.966 -1.674 0.100 1.00 0.00 C ATOM 1254 CG MET A 80 92.272 -1.065 -1.123 1.00 0.00 C ATOM 1255 SD MET A 80 90.479 -1.036 -0.865 1.00 0.00 S ATOM 1256 CE MET A 80 90.146 0.516 -1.736 1.00 0.00 C ATOM 0 H MET A 80 95.983 -1.879 1.092 1.00 0.00 H new ATOM 0 HA MET A 80 94.368 -2.938 -0.937 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.413 -2.546 0.449 1.00 0.00 H new ATOM 0 HB3 MET A 80 92.979 -0.956 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.640 -0.053 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.510 -1.646 -2.014 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.245 0.408 -2.340 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.003 1.317 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.989 0.759 -2.382 1.00 0.00 H new ATOM 1266 N ILE A 81 95.878 -1.235 -2.004 1.00 0.00 N ATOM 1267 CA ILE A 81 96.586 -0.214 -2.774 1.00 0.00 C ATOM 1268 C ILE A 81 96.450 -0.487 -4.270 1.00 0.00 C ATOM 1269 O ILE A 81 97.336 -1.083 -4.884 1.00 0.00 O ATOM 1270 CB ILE A 81 98.068 -0.201 -2.390 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.208 -0.007 -0.870 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.769 0.949 -3.120 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.225 -1.370 -0.164 1.00 0.00 C ATOM 0 H ILE A 81 96.053 -2.192 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 81 96.145 0.757 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 81 98.526 -1.149 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.126 0.538 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.381 0.596 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.825 0.962 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.672 0.809 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.310 1.895 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.324 -1.222 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.295 -1.900 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.067 -1.958 -0.528 1.00 0.00 H new ATOM 1285 N PHE A 82 95.333 -0.050 -4.851 1.00 0.00 N ATOM 1286 CA PHE A 82 95.086 -0.254 -6.279 1.00 0.00 C ATOM 1287 C PHE A 82 95.018 1.086 -7.008 1.00 0.00 C ATOM 1288 O PHE A 82 95.980 1.499 -7.655 1.00 0.00 O ATOM 1289 CB PHE A 82 93.772 -1.017 -6.475 1.00 0.00 C ATOM 1290 CG PHE A 82 93.427 -1.084 -7.948 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.326 -1.665 -8.854 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.208 -0.567 -8.408 1.00 0.00 C ATOM 1293 CE1 PHE A 82 94.005 -1.728 -10.215 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.889 -0.631 -9.770 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.787 -1.211 -10.673 1.00 0.00 C ATOM 0 H PHE A 82 94.589 0.445 -4.359 1.00 0.00 H new ATOM 0 HA PHE A 82 95.909 -0.836 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.863 -2.024 -6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.970 -0.523 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.266 -2.064 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.515 -0.119 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.697 -2.176 -10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.950 -0.233 -10.124 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.541 -1.260 -11.723 1.00 0.00 H new ATOM 1305 N ALA A 83 93.876 1.757 -6.900 1.00 0.00 N ATOM 1306 CA ALA A 83 93.697 3.048 -7.555 1.00 0.00 C ATOM 1307 C ALA A 83 92.518 3.800 -6.945 1.00 0.00 C ATOM 1308 O ALA A 83 91.384 3.323 -6.970 1.00 0.00 O ATOM 1309 CB ALA A 83 93.456 2.845 -9.052 1.00 0.00 C ATOM 0 H ALA A 83 93.067 1.432 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 83 94.603 3.637 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.323 3.814 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.313 2.335 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.560 2.242 -9.198 1.00 0.00 H new ATOM 1315 N GLY A 84 92.796 4.979 -6.399 1.00 0.00 N ATOM 1316 CA GLY A 84 91.751 5.791 -5.785 1.00 0.00 C ATOM 1317 C GLY A 84 90.865 6.436 -6.848 1.00 0.00 C ATOM 1318 O GLY A 84 91.082 6.250 -8.045 1.00 0.00 O ATOM 0 H GLY A 84 93.728 5.391 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.143 5.171 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.204 6.565 -5.165 1.00 0.00 H new ATOM 1322 N ILE A 85 89.870 7.195 -6.400 1.00 0.00 N ATOM 1323 CA ILE A 85 88.953 7.868 -7.317 1.00 0.00 C ATOM 1324 C ILE A 85 89.455 9.278 -7.627 1.00 0.00 C ATOM 1325 O ILE A 85 90.291 9.819 -6.904 1.00 0.00 O ATOM 1326 CB ILE A 85 87.558 7.932 -6.691 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.979 6.510 -6.574 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.640 8.798 -7.558 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.236 6.127 -7.858 1.00 0.00 C ATOM 0 H ILE A 85 89.677 7.360 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 85 88.903 7.305 -8.249 1.00 0.00 H new ATOM 0 HB ILE A 85 87.629 8.374 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.782 5.798 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.299 6.456 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.648 8.840 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.050 9.806 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.568 8.365 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.833 5.119 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.420 6.829 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.926 6.160 -8.701 1.00 0.00 H new ATOM 1341 N LYS A 86 88.952 9.863 -8.714 1.00 0.00 N ATOM 1342 CA LYS A 86 89.375 11.204 -9.116 1.00 0.00 C ATOM 1343 C LYS A 86 88.325 12.258 -8.764 1.00 0.00 C ATOM 1344 O LYS A 86 88.541 13.089 -7.881 1.00 0.00 O ATOM 1345 CB LYS A 86 89.630 11.231 -10.625 1.00 0.00 C ATOM 1346 CG LYS A 86 90.915 10.457 -10.940 1.00 0.00 C ATOM 1347 CD LYS A 86 91.234 10.564 -12.437 1.00 0.00 C ATOM 1348 CE LYS A 86 90.497 9.463 -13.206 1.00 0.00 C ATOM 1349 NZ LYS A 86 91.202 8.164 -13.011 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.258 9.434 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 86 90.290 11.441 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.787 10.788 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.719 12.261 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.743 10.855 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.798 9.411 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.937 11.543 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.309 10.474 -12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 86 89.468 9.387 -12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.455 9.711 -14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.880 7.483 -13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.228 8.308 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.991 7.793 -12.063 1.00 0.00 H new ATOM 1363 N LYS A 87 87.198 12.236 -9.472 1.00 0.00 N ATOM 1364 CA LYS A 87 86.138 13.215 -9.235 1.00 0.00 C ATOM 1365 C LYS A 87 85.270 12.824 -8.043 1.00 0.00 C ATOM 1366 O LYS A 87 85.278 11.675 -7.600 1.00 0.00 O ATOM 1367 CB LYS A 87 85.261 13.345 -10.484 1.00 0.00 C ATOM 1368 CG LYS A 87 86.055 14.027 -11.608 1.00 0.00 C ATOM 1369 CD LYS A 87 85.926 15.553 -11.493 1.00 0.00 C ATOM 1370 CE LYS A 87 84.668 16.022 -12.231 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.875 15.887 -13.701 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.995 11.559 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 87 86.612 14.171 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.926 12.360 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.368 13.925 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.104 13.737 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.686 13.695 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.874 15.845 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 87 86.808 16.035 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.808 15.430 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 87 84.450 17.059 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 84.270 16.570 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.872 16.075 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.628 14.922 -13.999 1.00 0.00 H new ATOM 1385 N LYS A 88 84.519 13.793 -7.527 1.00 0.00 N ATOM 1386 CA LYS A 88 83.644 13.544 -6.389 1.00 0.00 C ATOM 1387 C LYS A 88 82.472 12.663 -6.803 1.00 0.00 C ATOM 1388 O LYS A 88 82.208 11.637 -6.179 1.00 0.00 O ATOM 1389 CB LYS A 88 83.112 14.868 -5.831 1.00 0.00 C ATOM 1390 CG LYS A 88 82.430 14.622 -4.477 1.00 0.00 C ATOM 1391 CD LYS A 88 81.429 15.749 -4.186 1.00 0.00 C ATOM 1392 CE LYS A 88 80.067 15.401 -4.793 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.103 16.504 -4.517 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.499 14.751 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 88 84.221 13.033 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.930 15.579 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.403 15.310 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.916 13.661 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.178 14.575 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.332 15.893 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.794 16.688 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.164 15.249 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.697 14.466 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.178 16.268 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.003 16.628 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.455 17.387 -4.940 1.00 0.00 H new ATOM 1407 N THR A 89 81.771 13.066 -7.859 1.00 0.00 N ATOM 1408 CA THR A 89 80.629 12.297 -8.337 1.00 0.00 C ATOM 1409 C THR A 89 81.019 10.841 -8.544 1.00 0.00 C ATOM 1410 O THR A 89 80.180 9.947 -8.460 1.00 0.00 O ATOM 1411 CB THR A 89 80.105 12.872 -9.651 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.174 12.978 -10.581 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.500 14.254 -9.402 1.00 0.00 C ATOM 0 H THR A 89 81.971 13.911 -8.394 1.00 0.00 H new ATOM 0 HA THR A 89 79.844 12.356 -7.583 1.00 0.00 H new ATOM 0 HB THR A 89 79.338 12.212 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.838 13.345 -11.425 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.127 14.662 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.678 14.169 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.263 14.918 -8.996 1.00 0.00 H new ATOM 1421 N GLU A 90 82.298 10.606 -8.806 1.00 0.00 N ATOM 1422 CA GLU A 90 82.775 9.246 -9.005 1.00 0.00 C ATOM 1423 C GLU A 90 82.695 8.493 -7.685 1.00 0.00 C ATOM 1424 O GLU A 90 82.347 7.314 -7.648 1.00 0.00 O ATOM 1425 CB GLU A 90 84.217 9.254 -9.518 1.00 0.00 C ATOM 1426 CG GLU A 90 84.235 9.626 -11.001 1.00 0.00 C ATOM 1427 CD GLU A 90 85.659 9.951 -11.440 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.579 9.479 -10.793 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.808 10.669 -12.416 1.00 0.00 O ATOM 0 H GLU A 90 83.014 11.328 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 90 82.151 8.751 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.812 9.967 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.670 8.273 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.841 8.802 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.587 10.484 -11.177 1.00 0.00 H new ATOM 1436 N ARG A 91 83.002 9.197 -6.600 1.00 0.00 N ATOM 1437 CA ARG A 91 82.945 8.603 -5.272 1.00 0.00 C ATOM 1438 C ARG A 91 81.498 8.505 -4.809 1.00 0.00 C ATOM 1439 O ARG A 91 81.051 7.451 -4.363 1.00 0.00 O ATOM 1440 CB ARG A 91 83.744 9.454 -4.280 1.00 0.00 C ATOM 1441 CG ARG A 91 85.213 9.486 -4.707 1.00 0.00 C ATOM 1442 CD ARG A 91 86.092 10.015 -3.562 1.00 0.00 C ATOM 1443 NE ARG A 91 86.604 11.341 -3.890 1.00 0.00 N ATOM 1444 CZ ARG A 91 85.904 12.440 -3.627 1.00 0.00 C ATOM 1445 NH1 ARG A 91 84.722 12.351 -3.077 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.396 13.612 -3.921 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.291 10.175 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 91 83.378 7.604 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.342 10.466 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.655 9.041 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.538 8.485 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.329 10.120 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.513 10.059 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.922 9.331 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 91 87.520 11.427 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.334 11.436 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.188 13.196 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.317 13.685 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 91 85.859 14.456 -3.719 1.00 0.00 H new ATOM 1460 N GLU A 92 80.767 9.610 -4.926 1.00 0.00 N ATOM 1461 CA GLU A 92 79.367 9.630 -4.520 1.00 0.00 C ATOM 1462 C GLU A 92 78.584 8.568 -5.287 1.00 0.00 C ATOM 1463 O GLU A 92 77.912 7.727 -4.691 1.00 0.00 O ATOM 1464 CB GLU A 92 78.762 11.010 -4.789 1.00 0.00 C ATOM 1465 CG GLU A 92 77.447 11.152 -4.020 1.00 0.00 C ATOM 1466 CD GLU A 92 76.835 12.523 -4.283 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.426 13.279 -5.038 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.784 12.798 -3.726 1.00 0.00 O ATOM 0 H GLU A 92 81.117 10.494 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 92 79.309 9.416 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.460 11.790 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.586 11.139 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.752 10.370 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.625 11.023 -2.952 1.00 0.00 H new ATOM 1475 N ASP A 93 78.686 8.605 -6.614 1.00 0.00 N ATOM 1476 CA ASP A 93 77.993 7.629 -7.447 1.00 0.00 C ATOM 1477 C ASP A 93 78.437 6.218 -7.078 1.00 0.00 C ATOM 1478 O ASP A 93 77.611 5.325 -6.888 1.00 0.00 O ATOM 1479 CB ASP A 93 78.292 7.892 -8.925 1.00 0.00 C ATOM 1480 CG ASP A 93 77.790 9.276 -9.321 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.255 9.959 -8.463 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.948 9.632 -10.478 1.00 0.00 O1- ATOM 0 H ASP A 93 79.236 9.293 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 93 76.920 7.723 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.364 7.820 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.813 7.132 -9.542 1.00 0.00 H new ATOM 1487 N LEU A 94 79.748 6.027 -6.974 1.00 0.00 N ATOM 1488 CA LEU A 94 80.297 4.724 -6.622 1.00 0.00 C ATOM 1489 C LEU A 94 79.767 4.278 -5.270 1.00 0.00 C ATOM 1490 O LEU A 94 79.508 3.095 -5.049 1.00 0.00 O ATOM 1491 CB LEU A 94 81.824 4.798 -6.554 1.00 0.00 C ATOM 1492 CG LEU A 94 82.394 3.463 -6.075 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.900 2.340 -6.985 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.922 3.521 -6.116 1.00 0.00 C ATOM 0 H LEU A 94 80.446 6.754 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 94 79.997 4.008 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.228 5.043 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.127 5.596 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 94 82.064 3.271 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.307 1.389 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.811 2.300 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.229 2.529 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.331 2.570 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.252 3.713 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.273 4.322 -5.465 1.00 0.00 H new ATOM 1506 N ILE A 95 79.623 5.234 -4.364 1.00 0.00 N ATOM 1507 CA ILE A 95 79.140 4.932 -3.031 1.00 0.00 C ATOM 1508 C ILE A 95 77.641 4.668 -3.056 1.00 0.00 C ATOM 1509 O ILE A 95 77.120 3.910 -2.239 1.00 0.00 O ATOM 1510 CB ILE A 95 79.486 6.082 -2.077 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.966 5.950 -1.666 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.590 6.024 -0.831 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.622 7.329 -1.538 1.00 0.00 C ATOM 0 H ILE A 95 79.833 6.218 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 95 79.631 4.028 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 95 79.321 7.037 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.038 5.419 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.502 5.355 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.845 6.845 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.545 6.110 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.743 5.075 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.666 7.210 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.569 7.847 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.099 7.912 -0.780 1.00 0.00 H new ATOM 1525 N ALA A 96 76.955 5.275 -4.014 1.00 0.00 N ATOM 1526 CA ALA A 96 75.523 5.068 -4.145 1.00 0.00 C ATOM 1527 C ALA A 96 75.257 3.609 -4.490 1.00 0.00 C ATOM 1528 O ALA A 96 74.269 3.019 -4.049 1.00 0.00 O ATOM 1529 CB ALA A 96 74.959 5.974 -5.240 1.00 0.00 C ATOM 0 H ALA A 96 77.362 5.907 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 96 75.034 5.315 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.885 5.811 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.147 7.016 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.442 5.742 -6.189 1.00 0.00 H new ATOM 1535 N TYR A 97 76.164 3.028 -5.273 1.00 0.00 N ATOM 1536 CA TYR A 97 76.038 1.632 -5.665 1.00 0.00 C ATOM 1537 C TYR A 97 76.450 0.725 -4.509 1.00 0.00 C ATOM 1538 O TYR A 97 75.776 -0.258 -4.214 1.00 0.00 O ATOM 1539 CB TYR A 97 76.917 1.340 -6.886 1.00 0.00 C ATOM 1540 CG TYR A 97 76.954 -0.152 -7.133 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.876 -0.787 -7.762 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.067 -0.901 -6.730 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.909 -2.169 -7.986 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.100 -2.283 -6.955 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.022 -2.916 -7.582 1.00 0.00 C ATOM 1546 OH TYR A 97 77.054 -4.278 -7.803 1.00 0.00 O ATOM 0 H TYR A 97 76.988 3.501 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 97 74.997 1.437 -5.923 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.524 1.855 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.926 1.717 -6.720 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.018 -0.210 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.900 -0.413 -6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.077 -2.658 -8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.958 -2.860 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 97 77.974 -4.557 -7.991 1.00 0.00 H new ATOM 1556 N LEU A 98 77.562 1.062 -3.857 1.00 0.00 N ATOM 1557 CA LEU A 98 78.045 0.269 -2.736 1.00 0.00 C ATOM 1558 C LEU A 98 76.975 0.179 -1.648 1.00 0.00 C ATOM 1559 O LEU A 98 76.976 -0.746 -0.840 1.00 0.00 O ATOM 1560 CB LEU A 98 79.319 0.900 -2.154 1.00 0.00 C ATOM 1561 CG LEU A 98 80.538 0.502 -3.003 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.644 1.549 -2.867 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.076 -0.846 -2.519 1.00 0.00 C ATOM 0 H LEU A 98 78.138 1.872 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 98 78.272 -0.735 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.220 1.985 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.460 0.572 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 98 80.230 0.434 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.501 1.254 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.274 2.516 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.947 1.624 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.940 -1.130 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.372 -0.765 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.300 -1.605 -2.619 1.00 0.00 H new ATOM 1575 N LYS A 99 76.065 1.151 -1.632 1.00 0.00 N ATOM 1576 CA LYS A 99 74.998 1.171 -0.635 1.00 0.00 C ATOM 1577 C LYS A 99 73.885 0.199 -1.014 1.00 0.00 C ATOM 1578 O LYS A 99 73.512 -0.669 -0.224 1.00 0.00 O ATOM 1579 CB LYS A 99 74.423 2.588 -0.507 1.00 0.00 C ATOM 1580 CG LYS A 99 75.312 3.431 0.414 1.00 0.00 C ATOM 1581 CD LYS A 99 74.600 4.742 0.760 1.00 0.00 C ATOM 1582 CE LYS A 99 74.550 5.646 -0.474 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.198 7.033 -0.059 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.045 1.928 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 99 75.420 0.863 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.358 3.054 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.410 2.544 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.537 2.877 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.263 3.641 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.589 4.536 1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.123 5.248 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.515 5.640 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.814 5.270 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.164 7.648 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.268 7.031 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.916 7.390 0.603 1.00 0.00 H new ATOM 1597 N LYS A 100 73.354 0.351 -2.221 1.00 0.00 N ATOM 1598 CA LYS A 100 72.280 -0.521 -2.684 1.00 0.00 C ATOM 1599 C LYS A 100 72.826 -1.898 -3.046 1.00 0.00 C ATOM 1600 O LYS A 100 72.076 -2.867 -3.156 1.00 0.00 O ATOM 1601 CB LYS A 100 71.595 0.096 -3.904 1.00 0.00 C ATOM 1602 CG LYS A 100 71.080 1.492 -3.548 1.00 0.00 C ATOM 1603 CD LYS A 100 70.667 2.228 -4.827 1.00 0.00 C ATOM 1604 CE LYS A 100 69.480 1.512 -5.478 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.975 0.363 -6.288 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.645 1.062 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 100 71.554 -0.631 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.296 0.157 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.769 -0.536 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.230 1.415 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.854 2.054 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.398 3.258 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 100 71.506 2.267 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.790 1.160 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.926 2.205 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 69.625 0.449 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 71.015 0.364 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.631 -0.527 -5.874 1.00 0.00 H new ATOM 1619 N ALA A 101 74.139 -1.973 -3.230 1.00 0.00 N ATOM 1620 CA ALA A 101 74.786 -3.233 -3.581 1.00 0.00 C ATOM 1621 C ALA A 101 75.125 -4.031 -2.328 1.00 0.00 C ATOM 1622 O ALA A 101 75.145 -5.261 -2.351 1.00 0.00 O ATOM 1623 CB ALA A 101 76.066 -2.957 -4.371 1.00 0.00 C ATOM 0 H ALA A 101 74.775 -1.180 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 101 74.097 -3.815 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.544 -3.901 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.821 -2.412 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.747 -2.360 -3.764 1.00 0.00 H new ATOM 1629 N THR A 102 75.390 -3.323 -1.235 1.00 0.00 N ATOM 1630 CA THR A 102 75.726 -3.976 0.025 1.00 0.00 C ATOM 1631 C THR A 102 74.462 -4.233 0.833 1.00 0.00 C ATOM 1632 O THR A 102 74.497 -4.882 1.879 1.00 0.00 O ATOM 1633 CB THR A 102 76.681 -3.095 0.833 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.099 -1.812 1.013 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.008 -2.958 0.083 1.00 0.00 C ATOM 0 H THR A 102 75.379 -2.304 -1.196 1.00 0.00 H new ATOM 0 HA THR A 102 76.212 -4.927 -0.192 1.00 0.00 H new ATOM 0 HB THR A 102 76.863 -3.550 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.121 -1.321 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.688 -2.330 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.452 -3.944 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.830 -2.502 -0.891 1.00 0.00 H new ATOM 1643 N ASN A 103 73.350 -3.714 0.331 1.00 0.00 N ATOM 1644 CA ASN A 103 72.065 -3.880 0.997 1.00 0.00 C ATOM 1645 C ASN A 103 71.363 -5.136 0.490 1.00 0.00 C ATOM 1646 O ASN A 103 70.545 -5.730 1.192 1.00 0.00 O ATOM 1647 CB ASN A 103 71.190 -2.654 0.732 1.00 0.00 C ATOM 1648 CG ASN A 103 71.591 -1.516 1.662 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.772 -0.656 1.982 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.810 -1.463 2.116 1.00 0.00 N ATOM 0 H ASN A 103 73.311 -3.175 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 103 72.232 -3.983 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.295 -2.340 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.141 -2.906 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.089 -0.706 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.486 -2.179 1.848 1.00 0.00 H new ATOM 1657 N GLU A 104 71.693 -5.536 -0.734 1.00 0.00 N ATOM 1658 CA GLU A 104 71.093 -6.726 -1.328 1.00 0.00 C ATOM 1659 C GLU A 104 71.997 -7.296 -2.417 1.00 0.00 C ATOM 1660 O GLU A 104 71.787 -8.437 -2.795 1.00 0.00 O ATOM 1661 CB GLU A 104 69.727 -6.381 -1.925 1.00 0.00 C ATOM 1662 CG GLU A 104 69.907 -5.406 -3.091 1.00 0.00 C ATOM 1663 CD GLU A 104 68.550 -4.882 -3.546 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.710 -5.696 -3.897 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.369 -3.675 -3.538 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.885 -6.584 -2.855 1.00 0.00 O ATOM 0 H GLU A 104 72.368 -5.058 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 104 70.968 -7.475 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.230 -7.288 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.087 -5.937 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.543 -4.575 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.410 -5.905 -3.919 1.00 0.00 H new