USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 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 44 ASN : amide:sc= -0.161 K(o=-0.18,f=-4.2!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -170:sc= -0.0234 (180deg=-0.13) USER MOD Set 2.1: A 16 MET CE :methyl 145:sc= -0.899 (180deg=-2.44!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 143:sc= -0.0371 (180deg=0) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -0.109 X(o=-0.092,f=-0.31) USER MOD Set 3.2: A 80 TYR OH : rot -40:sc= 0.0175 USER MOD Single : A 0 HIS : no HE2:sc= -0.0901 X(o=-0.09,f=-0.2) USER MOD Single : A 1 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.077) USER MOD Single : A 2 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.16) USER MOD Single : A 3 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.32) USER MOD Single : A 4 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0098) USER MOD Single : A 5 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 25:sc= 0.662 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0.00612 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 152:sc= -0.143 (180deg=-0.468) USER MOD Single : A 14 SER OG : rot -157:sc= 0.214 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 27 CYS SG : rot 160:sc= -0.0853 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 32 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -37:sc= 0.242 USER MOD Single : A 55 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-2.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.00422 X(o=-0.0042,f=-0.011) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.094 K(o=-0.094,f=-2.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0063 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -18.699 7.427 -7.014 1.00 0.00 N ATOM 2 CA MET A -4 -17.515 7.353 -6.166 1.00 0.00 C ATOM 3 C MET A -4 -16.666 6.136 -6.521 1.00 0.00 C ATOM 4 O MET A -4 -17.180 5.025 -6.650 1.00 0.00 O ATOM 5 CB MET A -4 -17.920 7.294 -4.692 1.00 0.00 C ATOM 6 CG MET A -4 -18.968 6.234 -4.392 1.00 0.00 C ATOM 7 SD MET A -4 -19.491 6.244 -2.666 1.00 0.00 S ATOM 8 CE MET A -4 -20.805 7.459 -2.717 1.00 0.00 C ATOM 0 H1 MET A -4 -19.462 7.914 -6.503 1.00 0.00 H new ATOM 0 H2 MET A -4 -18.472 7.954 -7.882 1.00 0.00 H new ATOM 0 H3 MET A -4 -19.008 6.466 -7.263 1.00 0.00 H new ATOM 0 HA MET A -4 -16.921 8.251 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A -4 -17.034 7.099 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A -4 -18.304 8.268 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A -4 -19.836 6.395 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A -4 -18.567 5.251 -4.641 1.00 0.00 H new ATOM 0 HE1 MET A -4 -21.230 7.577 -1.720 1.00 0.00 H new ATOM 0 HE2 MET A -4 -20.404 8.414 -3.056 1.00 0.00 H new ATOM 0 HE3 MET A -4 -21.582 7.126 -3.406 1.00 0.00 H new ATOM 18 N GLY A -3 -15.364 6.353 -6.679 1.00 0.00 N ATOM 19 CA GLY A -3 -14.466 5.265 -7.019 1.00 0.00 C ATOM 20 C GLY A -3 -13.543 4.896 -5.874 1.00 0.00 C ATOM 21 O GLY A -3 -13.938 4.942 -4.710 1.00 0.00 O ATOM 0 H GLY A -3 -14.915 7.263 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -15.051 4.391 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -13.869 5.548 -7.886 1.00 0.00 H new ATOM 25 N SER A -2 -12.310 4.528 -6.206 1.00 0.00 N ATOM 26 CA SER A -2 -11.329 4.144 -5.197 1.00 0.00 C ATOM 27 C SER A -2 -9.934 4.041 -5.807 1.00 0.00 C ATOM 28 O SER A -2 -9.761 4.190 -7.016 1.00 0.00 O ATOM 29 CB SER A -2 -11.719 2.810 -4.559 1.00 0.00 C ATOM 30 OG SER A -2 -11.089 2.643 -3.300 1.00 0.00 O ATOM 0 H SER A -2 -11.966 4.488 -7.165 1.00 0.00 H new ATOM 0 HA SER A -2 -11.314 4.916 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A -2 -12.801 2.764 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A -2 -11.438 1.991 -5.221 1.00 0.00 H new ATOM 0 HG SER A -2 -11.356 1.784 -2.912 1.00 0.00 H new ATOM 36 N SER A -1 -8.943 3.786 -4.960 1.00 0.00 N ATOM 37 CA SER A -1 -7.562 3.666 -5.413 1.00 0.00 C ATOM 38 C SER A -1 -7.285 2.264 -5.947 1.00 0.00 C ATOM 39 O SER A -1 -7.718 1.269 -5.366 1.00 0.00 O ATOM 40 CB SER A -1 -6.598 3.989 -4.270 1.00 0.00 C ATOM 41 OG SER A -1 -6.797 3.114 -3.172 1.00 0.00 O ATOM 0 H SER A -1 -9.070 3.658 -3.956 1.00 0.00 H new ATOM 0 HA SER A -1 -7.408 4.381 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A -1 -5.570 3.907 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.743 5.020 -3.948 1.00 0.00 H new ATOM 0 HG SER A -1 -6.168 3.340 -2.455 1.00 0.00 H new ATOM 47 N HIS A 0 -6.559 2.194 -7.059 1.00 0.00 N ATOM 48 CA HIS A 0 -6.222 0.914 -7.672 1.00 0.00 C ATOM 49 C HIS A 0 -4.775 0.907 -8.154 1.00 0.00 C ATOM 50 O HIS A 0 -4.347 1.804 -8.881 1.00 0.00 O ATOM 51 CB HIS A 0 -7.163 0.622 -8.842 1.00 0.00 C ATOM 52 CG HIS A 0 -7.156 1.686 -9.896 1.00 0.00 C ATOM 53 ND1 HIS A 0 -6.494 1.550 -11.098 1.00 0.00 N ATOM 54 CD2 HIS A 0 -7.737 2.908 -9.924 1.00 0.00 C ATOM 55 CE1 HIS A 0 -6.667 2.643 -11.819 1.00 0.00 C ATOM 56 NE2 HIS A 0 -7.418 3.483 -11.129 1.00 0.00 N ATOM 0 H HIS A 0 -6.193 3.008 -7.553 1.00 0.00 H new ATOM 0 HA HIS A 0 -6.339 0.136 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -6.882 -0.329 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -8.178 0.506 -8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 0 -5.955 0.733 -11.385 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -8.340 3.349 -9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -6.263 2.820 -12.805 1.00 0.00 H new ATOM 64 N HIS A 1 -4.024 -0.111 -7.744 1.00 0.00 N ATOM 65 CA HIS A 1 -2.624 -0.235 -8.134 1.00 0.00 C ATOM 66 C HIS A 1 -2.157 -1.683 -8.030 1.00 0.00 C ATOM 67 O HIS A 1 -2.329 -2.329 -6.996 1.00 0.00 O ATOM 68 CB HIS A 1 -1.748 0.660 -7.257 1.00 0.00 C ATOM 69 CG HIS A 1 -1.807 0.315 -5.801 1.00 0.00 C ATOM 70 ND1 HIS A 1 -0.702 -0.080 -5.076 1.00 0.00 N ATOM 71 CD2 HIS A 1 -2.846 0.308 -4.934 1.00 0.00 C ATOM 72 CE1 HIS A 1 -1.060 -0.316 -3.826 1.00 0.00 C ATOM 73 NE2 HIS A 1 -2.356 -0.088 -3.714 1.00 0.00 N ATOM 0 H HIS A 1 -4.362 -0.862 -7.142 1.00 0.00 H new ATOM 0 HA HIS A 1 -2.532 0.084 -9.172 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -0.715 0.589 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.056 1.697 -7.389 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -3.870 0.566 -5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.404 -0.640 -3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -2.904 -0.190 -2.860 1.00 0.00 H new ATOM 81 N HIS A 2 -1.567 -2.189 -9.108 1.00 0.00 N ATOM 82 CA HIS A 2 -1.075 -3.562 -9.138 1.00 0.00 C ATOM 83 C HIS A 2 -0.283 -3.827 -10.415 1.00 0.00 C ATOM 84 O HIS A 2 -0.718 -3.475 -11.512 1.00 0.00 O ATOM 85 CB HIS A 2 -2.241 -4.545 -9.033 1.00 0.00 C ATOM 86 CG HIS A 2 -1.851 -5.878 -8.470 1.00 0.00 C ATOM 87 ND1 HIS A 2 -2.091 -7.069 -9.122 1.00 0.00 N ATOM 88 CD2 HIS A 2 -1.233 -6.203 -7.311 1.00 0.00 C ATOM 89 CE1 HIS A 2 -1.639 -8.069 -8.387 1.00 0.00 C ATOM 90 NE2 HIS A 2 -1.113 -7.570 -7.283 1.00 0.00 N ATOM 0 H HIS A 2 -1.418 -1.669 -9.973 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.412 -3.704 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.019 -4.108 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.674 -4.690 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.897 -5.515 -6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -1.691 -9.116 -8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.687 -8.112 -6.532 1.00 0.00 H new ATOM 98 N HIS A 3 0.881 -4.451 -10.265 1.00 0.00 N ATOM 99 CA HIS A 3 1.734 -4.763 -11.406 1.00 0.00 C ATOM 100 C HIS A 3 1.350 -6.107 -12.019 1.00 0.00 C ATOM 101 O HIS A 3 0.779 -6.163 -13.109 1.00 0.00 O ATOM 102 CB HIS A 3 3.203 -4.785 -10.982 1.00 0.00 C ATOM 103 CG HIS A 3 3.796 -3.420 -10.809 1.00 0.00 C ATOM 104 ND1 HIS A 3 3.108 -2.367 -10.244 1.00 0.00 N ATOM 105 CD2 HIS A 3 5.020 -2.940 -11.128 1.00 0.00 C ATOM 106 CE1 HIS A 3 3.884 -1.297 -10.225 1.00 0.00 C ATOM 107 NE2 HIS A 3 5.050 -1.619 -10.756 1.00 0.00 N ATOM 0 H HIS A 3 1.255 -4.750 -9.365 1.00 0.00 H new ATOM 0 HA HIS A 3 1.592 -3.986 -12.157 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.294 -5.333 -10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.780 -5.331 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.824 -3.493 -11.590 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.611 -0.325 -9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.844 -0.989 -10.871 1.00 0.00 H new ATOM 115 N HIS A 4 1.668 -7.187 -11.312 1.00 0.00 N ATOM 116 CA HIS A 4 1.356 -8.530 -11.787 1.00 0.00 C ATOM 117 C HIS A 4 2.082 -8.826 -13.096 1.00 0.00 C ATOM 118 O HIS A 4 1.518 -9.432 -14.008 1.00 0.00 O ATOM 119 CB HIS A 4 -0.152 -8.689 -11.980 1.00 0.00 C ATOM 120 CG HIS A 4 -0.632 -10.098 -11.820 1.00 0.00 C ATOM 121 ND1 HIS A 4 -1.596 -10.662 -12.629 1.00 0.00 N ATOM 122 CD2 HIS A 4 -0.274 -11.060 -10.937 1.00 0.00 C ATOM 123 CE1 HIS A 4 -1.811 -11.909 -12.250 1.00 0.00 C ATOM 124 NE2 HIS A 4 -1.021 -12.176 -11.226 1.00 0.00 N ATOM 0 H HIS A 4 2.141 -7.158 -10.409 1.00 0.00 H new ATOM 0 HA HIS A 4 1.695 -9.242 -11.035 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.671 -8.054 -11.262 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.422 -8.333 -12.974 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.462 -10.967 -10.152 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.514 -12.594 -12.701 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.973 -13.066 -10.730 1.00 0.00 H new ATOM 132 N HIS A 5 3.336 -8.393 -13.183 1.00 0.00 N ATOM 133 CA HIS A 5 4.139 -8.611 -14.381 1.00 0.00 C ATOM 134 C HIS A 5 4.500 -10.086 -14.532 1.00 0.00 C ATOM 135 O HIS A 5 5.036 -10.701 -13.610 1.00 0.00 O ATOM 136 CB HIS A 5 5.411 -7.765 -14.328 1.00 0.00 C ATOM 137 CG HIS A 5 5.191 -6.329 -14.689 1.00 0.00 C ATOM 138 ND1 HIS A 5 6.218 -5.416 -14.809 1.00 0.00 N ATOM 139 CD2 HIS A 5 4.052 -5.648 -14.959 1.00 0.00 C ATOM 140 CE1 HIS A 5 5.721 -4.237 -15.134 1.00 0.00 C ATOM 141 NE2 HIS A 5 4.408 -4.350 -15.232 1.00 0.00 N ATOM 0 H HIS A 5 3.818 -7.889 -12.438 1.00 0.00 H new ATOM 0 HA HIS A 5 3.547 -8.310 -15.245 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.831 -7.818 -13.324 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.150 -8.192 -15.006 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.050 -6.051 -14.960 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.291 -3.333 -15.293 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.764 -3.596 -15.471 1.00 0.00 H new ATOM 149 N SER A 6 4.202 -10.647 -15.700 1.00 0.00 N ATOM 150 CA SER A 6 4.491 -12.050 -15.969 1.00 0.00 C ATOM 151 C SER A 6 5.536 -12.187 -17.073 1.00 0.00 C ATOM 152 O SER A 6 6.031 -11.192 -17.601 1.00 0.00 O ATOM 153 CB SER A 6 3.212 -12.789 -16.367 1.00 0.00 C ATOM 154 OG SER A 6 2.284 -12.815 -15.296 1.00 0.00 O ATOM 0 H SER A 6 3.761 -10.151 -16.474 1.00 0.00 H new ATOM 0 HA SER A 6 4.890 -12.495 -15.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.761 -12.302 -17.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.455 -13.808 -16.666 1.00 0.00 H new ATOM 0 HG SER A 6 1.475 -13.291 -15.576 1.00 0.00 H new ATOM 160 N SER A 7 5.865 -13.429 -17.416 1.00 0.00 N ATOM 161 CA SER A 7 6.853 -13.698 -18.454 1.00 0.00 C ATOM 162 C SER A 7 6.648 -15.086 -19.053 1.00 0.00 C ATOM 163 O SER A 7 5.900 -15.902 -18.515 1.00 0.00 O ATOM 164 CB SER A 7 8.268 -13.580 -17.884 1.00 0.00 C ATOM 165 OG SER A 7 8.689 -12.227 -17.839 1.00 0.00 O ATOM 0 H SER A 7 5.462 -14.264 -16.990 1.00 0.00 H new ATOM 0 HA SER A 7 6.724 -12.958 -19.244 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.296 -14.006 -16.881 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.959 -14.159 -18.496 1.00 0.00 H new ATOM 0 HG SER A 7 7.905 -11.642 -17.788 1.00 0.00 H new ATOM 171 N GLY A 8 7.319 -15.347 -20.171 1.00 0.00 N ATOM 172 CA GLY A 8 7.197 -16.637 -20.825 1.00 0.00 C ATOM 173 C GLY A 8 6.882 -16.510 -22.302 1.00 0.00 C ATOM 174 O GLY A 8 7.642 -15.903 -23.058 1.00 0.00 O ATOM 0 H GLY A 8 7.945 -14.688 -20.635 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.126 -17.193 -20.701 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.412 -17.215 -20.338 1.00 0.00 H new ATOM 178 N LEU A 9 5.758 -17.085 -22.717 1.00 0.00 N ATOM 179 CA LEU A 9 5.344 -17.035 -24.115 1.00 0.00 C ATOM 180 C LEU A 9 3.892 -16.583 -24.237 1.00 0.00 C ATOM 181 O LEU A 9 3.612 -15.476 -24.697 1.00 0.00 O ATOM 182 CB LEU A 9 5.520 -18.407 -24.768 1.00 0.00 C ATOM 183 CG LEU A 9 5.088 -18.513 -26.231 1.00 0.00 C ATOM 184 CD1 LEU A 9 5.880 -17.542 -27.094 1.00 0.00 C ATOM 185 CD2 LEU A 9 5.260 -19.939 -26.735 1.00 0.00 C ATOM 0 H LEU A 9 5.117 -17.591 -22.105 1.00 0.00 H new ATOM 0 HA LEU A 9 5.975 -16.311 -24.630 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.571 -18.688 -24.699 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.956 -19.138 -24.189 1.00 0.00 H new ATOM 0 HG LEU A 9 4.033 -18.249 -26.298 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.559 -17.632 -28.132 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.707 -16.523 -26.748 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.942 -17.774 -27.022 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.948 -19.996 -27.778 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.307 -20.230 -26.653 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.648 -20.613 -26.135 1.00 0.00 H new ATOM 197 N VAL A 10 2.972 -17.447 -23.820 1.00 0.00 N ATOM 198 CA VAL A 10 1.549 -17.136 -23.879 1.00 0.00 C ATOM 199 C VAL A 10 1.152 -16.164 -22.774 1.00 0.00 C ATOM 200 O VAL A 10 1.515 -16.328 -21.609 1.00 0.00 O ATOM 201 CB VAL A 10 0.691 -18.410 -23.760 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.002 -19.145 -22.466 1.00 0.00 C ATOM 203 CG2 VAL A 10 -0.789 -18.064 -23.845 1.00 0.00 C ATOM 0 H VAL A 10 3.187 -18.368 -23.438 1.00 0.00 H new ATOM 0 HA VAL A 10 1.366 -16.673 -24.849 1.00 0.00 H new ATOM 0 HB VAL A 10 0.935 -19.071 -24.592 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.386 -20.042 -22.400 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.055 -19.426 -22.451 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.788 -18.495 -21.618 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.381 -18.975 -23.759 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.051 -17.384 -23.035 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.996 -17.585 -24.802 1.00 0.00 H new ATOM 213 N PRO A 11 0.388 -15.126 -23.144 1.00 0.00 N ATOM 214 CA PRO A 11 -0.077 -14.107 -22.198 1.00 0.00 C ATOM 215 C PRO A 11 -1.117 -14.651 -21.225 1.00 0.00 C ATOM 216 O PRO A 11 -2.266 -14.885 -21.597 1.00 0.00 O ATOM 217 CB PRO A 11 -0.698 -13.040 -23.103 1.00 0.00 C ATOM 218 CG PRO A 11 -1.099 -13.775 -24.335 1.00 0.00 C ATOM 219 CD PRO A 11 -0.082 -14.868 -24.516 1.00 0.00 C ATOM 0 HA PRO A 11 0.732 -13.734 -21.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.557 -12.568 -22.626 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.016 -12.248 -23.329 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.102 -14.189 -24.233 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.115 -13.110 -25.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.524 -15.758 -24.964 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.733 -14.555 -25.168 1.00 0.00 H new ATOM 227 N ARG A 12 -0.705 -14.849 -19.977 1.00 0.00 N ATOM 228 CA ARG A 12 -1.602 -15.366 -18.950 1.00 0.00 C ATOM 229 C ARG A 12 -1.386 -14.642 -17.625 1.00 0.00 C ATOM 230 O ARG A 12 -1.063 -15.262 -16.612 1.00 0.00 O ATOM 231 CB ARG A 12 -1.385 -16.869 -18.763 1.00 0.00 C ATOM 232 CG ARG A 12 -2.569 -17.581 -18.129 1.00 0.00 C ATOM 233 CD ARG A 12 -3.759 -17.633 -19.074 1.00 0.00 C ATOM 234 NE ARG A 12 -4.778 -18.576 -18.619 1.00 0.00 N ATOM 235 CZ ARG A 12 -6.016 -18.607 -19.098 1.00 0.00 C ATOM 236 NH1 ARG A 12 -6.388 -17.752 -20.040 1.00 0.00 N ATOM 237 NH2 ARG A 12 -6.886 -19.495 -18.634 1.00 0.00 N ATOM 0 H ARG A 12 0.243 -14.659 -19.653 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.627 -15.191 -19.277 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.177 -17.321 -19.733 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.503 -17.026 -18.142 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.279 -18.594 -17.851 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.854 -17.068 -17.211 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.198 -16.639 -19.160 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.419 -17.919 -20.070 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.525 -19.247 -17.894 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.722 -17.068 -20.399 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.340 -17.779 -20.406 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.604 -20.154 -17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.837 -19.518 -19.003 1.00 0.00 H new ATOM 251 N GLY A 13 -1.565 -13.324 -17.640 1.00 0.00 N ATOM 252 CA GLY A 13 -1.384 -12.537 -16.434 1.00 0.00 C ATOM 253 C GLY A 13 -2.157 -11.234 -16.472 1.00 0.00 C ATOM 254 O GLY A 13 -3.057 -11.014 -15.661 1.00 0.00 O ATOM 0 H GLY A 13 -1.832 -12.788 -18.466 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.704 -13.121 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.324 -12.323 -16.299 1.00 0.00 H new ATOM 258 N SER A 14 -1.804 -10.366 -17.415 1.00 0.00 N ATOM 259 CA SER A 14 -2.467 -9.074 -17.551 1.00 0.00 C ATOM 260 C SER A 14 -3.982 -9.246 -17.623 1.00 0.00 C ATOM 261 O SER A 14 -4.483 -10.345 -17.861 1.00 0.00 O ATOM 262 CB SER A 14 -1.965 -8.349 -18.801 1.00 0.00 C ATOM 263 OG SER A 14 -2.691 -7.152 -19.022 1.00 0.00 O ATOM 0 H SER A 14 -1.063 -10.534 -18.096 1.00 0.00 H new ATOM 0 HA SER A 14 -2.228 -8.476 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.905 -8.120 -18.692 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.062 -9.002 -19.668 1.00 0.00 H new ATOM 0 HG SER A 14 -2.630 -6.902 -19.968 1.00 0.00 H new ATOM 269 N HIS A 15 -4.706 -8.150 -17.416 1.00 0.00 N ATOM 270 CA HIS A 15 -6.163 -8.178 -17.457 1.00 0.00 C ATOM 271 C HIS A 15 -6.677 -7.731 -18.823 1.00 0.00 C ATOM 272 O HIS A 15 -7.801 -7.245 -18.945 1.00 0.00 O ATOM 273 CB HIS A 15 -6.743 -7.281 -16.363 1.00 0.00 C ATOM 274 CG HIS A 15 -8.054 -7.764 -15.825 1.00 0.00 C ATOM 275 ND1 HIS A 15 -8.292 -9.081 -15.491 1.00 0.00 N ATOM 276 CD2 HIS A 15 -9.203 -7.098 -15.560 1.00 0.00 C ATOM 277 CE1 HIS A 15 -9.530 -9.204 -15.047 1.00 0.00 C ATOM 278 NE2 HIS A 15 -10.104 -8.014 -15.078 1.00 0.00 N ATOM 0 H HIS A 15 -4.307 -7.232 -17.218 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.487 -9.204 -17.284 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.027 -7.212 -15.544 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.871 -6.274 -16.760 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.617 -9.841 -15.574 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.378 -6.042 -15.702 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.994 -10.121 -14.715 1.00 0.00 H new ATOM 286 N MET A 16 -5.845 -7.898 -19.846 1.00 0.00 N ATOM 287 CA MET A 16 -6.215 -7.512 -21.202 1.00 0.00 C ATOM 288 C MET A 16 -6.434 -8.742 -22.077 1.00 0.00 C ATOM 289 O MET A 16 -6.011 -9.845 -21.731 1.00 0.00 O ATOM 290 CB MET A 16 -5.133 -6.622 -21.816 1.00 0.00 C ATOM 291 CG MET A 16 -5.227 -5.167 -21.386 1.00 0.00 C ATOM 292 SD MET A 16 -4.708 -4.025 -22.681 1.00 0.00 S ATOM 293 CE MET A 16 -6.200 -3.929 -23.667 1.00 0.00 C ATOM 0 H MET A 16 -4.911 -8.298 -19.761 1.00 0.00 H new ATOM 0 HA MET A 16 -7.149 -6.953 -21.151 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.153 -7.012 -21.539 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.202 -6.677 -22.902 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.254 -4.943 -21.099 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.609 -5.013 -20.502 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.307 -2.921 -24.068 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.139 -4.642 -24.489 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.063 -4.166 -23.045 1.00 0.00 H new ATOM 303 N SER A 17 -7.099 -8.546 -23.211 1.00 0.00 N ATOM 304 CA SER A 17 -7.377 -9.640 -24.134 1.00 0.00 C ATOM 305 C SER A 17 -7.204 -9.189 -25.581 1.00 0.00 C ATOM 306 O SER A 17 -7.685 -8.126 -25.974 1.00 0.00 O ATOM 307 CB SER A 17 -8.797 -10.167 -23.919 1.00 0.00 C ATOM 308 OG SER A 17 -9.057 -10.387 -22.543 1.00 0.00 O ATOM 0 H SER A 17 -7.455 -7.639 -23.513 1.00 0.00 H new ATOM 0 HA SER A 17 -6.665 -10.441 -23.934 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.517 -9.453 -24.319 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.930 -11.098 -24.471 1.00 0.00 H new ATOM 0 HG SER A 17 -9.971 -10.722 -22.432 1.00 0.00 H new ATOM 314 N VAL A 18 -6.512 -10.005 -26.369 1.00 0.00 N ATOM 315 CA VAL A 18 -6.274 -9.692 -27.774 1.00 0.00 C ATOM 316 C VAL A 18 -7.588 -9.492 -28.522 1.00 0.00 C ATOM 317 O VAL A 18 -7.677 -8.664 -29.429 1.00 0.00 O ATOM 318 CB VAL A 18 -5.466 -10.804 -28.468 1.00 0.00 C ATOM 319 CG1 VAL A 18 -5.263 -10.478 -29.939 1.00 0.00 C ATOM 320 CG2 VAL A 18 -4.130 -11.006 -27.769 1.00 0.00 C ATOM 0 H VAL A 18 -6.106 -10.888 -26.059 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.699 -8.766 -27.799 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.030 -11.735 -28.402 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.690 -11.275 -30.413 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.233 -10.388 -30.429 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.721 -9.537 -30.032 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.572 -11.795 -28.272 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.558 -10.079 -27.803 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.302 -11.289 -26.730 1.00 0.00 H new ATOM 330 N ASP A 19 -8.605 -10.254 -28.135 1.00 0.00 N ATOM 331 CA ASP A 19 -9.915 -10.159 -28.768 1.00 0.00 C ATOM 332 C ASP A 19 -10.517 -8.772 -28.565 1.00 0.00 C ATOM 333 O ASP A 19 -11.455 -8.384 -29.262 1.00 0.00 O ATOM 334 CB ASP A 19 -10.856 -11.224 -28.203 1.00 0.00 C ATOM 335 CG ASP A 19 -12.112 -11.387 -29.036 1.00 0.00 C ATOM 336 OD1 ASP A 19 -11.992 -11.531 -30.271 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.216 -11.371 -28.453 1.00 0.00 O ATOM 0 H ASP A 19 -8.547 -10.944 -27.386 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.788 -10.328 -29.837 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.331 -12.178 -28.152 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.132 -10.957 -27.183 1.00 0.00 H new ATOM 342 N ASP A 20 -9.972 -8.030 -27.608 1.00 0.00 N ATOM 343 CA ASP A 20 -10.455 -6.686 -27.313 1.00 0.00 C ATOM 344 C ASP A 20 -9.562 -5.633 -27.962 1.00 0.00 C ATOM 345 O ASP A 20 -9.500 -4.491 -27.506 1.00 0.00 O ATOM 346 CB ASP A 20 -10.514 -6.462 -25.801 1.00 0.00 C ATOM 347 CG ASP A 20 -11.570 -5.449 -25.407 1.00 0.00 C ATOM 348 OD1 ASP A 20 -12.687 -5.508 -25.964 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.281 -4.598 -24.540 1.00 0.00 O ATOM 0 H ASP A 20 -9.195 -8.336 -27.023 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.459 -6.589 -27.726 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.721 -7.410 -25.304 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.540 -6.123 -25.449 1.00 0.00 H new ATOM 354 N ILE A 21 -8.872 -6.026 -29.027 1.00 0.00 N ATOM 355 CA ILE A 21 -7.983 -5.116 -29.739 1.00 0.00 C ATOM 356 C ILE A 21 -8.534 -4.774 -31.119 1.00 0.00 C ATOM 357 O ILE A 21 -9.049 -5.642 -31.824 1.00 0.00 O ATOM 358 CB ILE A 21 -6.573 -5.714 -29.895 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.958 -5.994 -28.522 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.685 -4.775 -30.698 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.564 -6.576 -28.592 1.00 0.00 C ATOM 0 H ILE A 21 -8.911 -6.968 -29.416 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.919 -4.207 -29.141 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.653 -6.657 -30.435 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.927 -5.066 -27.951 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.604 -6.683 -27.977 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.692 -5.212 -30.800 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.117 -4.622 -31.687 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.609 -3.817 -30.183 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.191 -6.749 -27.583 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.591 -7.520 -29.136 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.904 -5.879 -29.108 1.00 0.00 H new ATOM 373 N ILE A 22 -8.422 -3.506 -31.498 1.00 0.00 N ATOM 374 CA ILE A 22 -8.907 -3.051 -32.795 1.00 0.00 C ATOM 375 C ILE A 22 -7.757 -2.879 -33.782 1.00 0.00 C ATOM 376 O ILE A 22 -6.614 -3.227 -33.485 1.00 0.00 O ATOM 377 CB ILE A 22 -9.669 -1.718 -32.675 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.714 -0.594 -32.268 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.804 -1.845 -31.670 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.386 0.755 -32.141 1.00 0.00 C ATOM 0 H ILE A 22 -8.000 -2.775 -30.925 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.588 -3.818 -33.164 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.096 -1.472 -33.647 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.249 -0.850 -31.316 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.914 -0.524 -33.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.333 -0.895 -31.596 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.496 -2.621 -31.998 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.398 -2.111 -30.694 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.648 1.503 -31.850 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.827 1.033 -33.098 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.168 0.702 -31.383 1.00 0.00 H new ATOM 392 N ILE A 23 -8.068 -2.340 -34.956 1.00 0.00 N ATOM 393 CA ILE A 23 -7.061 -2.119 -35.986 1.00 0.00 C ATOM 394 C ILE A 23 -6.608 -0.663 -36.009 1.00 0.00 C ATOM 395 O ILE A 23 -7.369 0.241 -35.666 1.00 0.00 O ATOM 396 CB ILE A 23 -7.588 -2.503 -37.381 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.253 -3.880 -37.338 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.457 -2.486 -38.398 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.317 -4.989 -36.910 1.00 0.00 C ATOM 0 H ILE A 23 -9.010 -2.048 -35.217 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.213 -2.757 -35.739 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.335 -1.770 -37.685 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.099 -3.845 -36.652 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.652 -4.113 -38.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.846 -2.760 -39.379 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.025 -1.486 -38.445 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.689 -3.200 -38.100 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.855 -5.937 -36.902 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.483 -5.051 -37.609 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.937 -4.779 -35.910 1.00 0.00 H new ATOM 411 N LYS A 24 -5.362 -0.443 -36.417 1.00 0.00 N ATOM 412 CA LYS A 24 -4.807 0.903 -36.488 1.00 0.00 C ATOM 413 C LYS A 24 -4.784 1.556 -35.110 1.00 0.00 C ATOM 414 O LYS A 24 -5.005 2.761 -34.980 1.00 0.00 O ATOM 415 CB LYS A 24 -5.620 1.762 -37.458 1.00 0.00 C ATOM 416 CG LYS A 24 -5.768 1.146 -38.839 1.00 0.00 C ATOM 417 CD LYS A 24 -4.953 1.901 -39.876 1.00 0.00 C ATOM 418 CE LYS A 24 -4.690 1.048 -41.108 1.00 0.00 C ATOM 419 NZ LYS A 24 -5.621 1.380 -42.221 1.00 0.00 N ATOM 0 H LYS A 24 -4.718 -1.180 -36.703 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.782 0.827 -36.851 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.611 1.932 -37.037 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.143 2.737 -37.554 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.447 0.105 -38.810 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.819 1.148 -39.129 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.483 2.808 -40.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.004 2.212 -39.439 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.662 1.195 -41.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.794 -0.006 -40.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.410 0.777 -43.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.601 1.216 -41.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.504 2.379 -42.485 1.00 0.00 H new ATOM 433 N CYS A 25 -4.515 0.755 -34.085 1.00 0.00 N ATOM 434 CA CYS A 25 -4.463 1.256 -32.716 1.00 0.00 C ATOM 435 C CYS A 25 -3.022 1.498 -32.280 1.00 0.00 C ATOM 436 O CYS A 25 -2.101 0.831 -32.751 1.00 0.00 O ATOM 437 CB CYS A 25 -5.138 0.268 -31.763 1.00 0.00 C ATOM 438 SG CYS A 25 -5.618 0.985 -30.175 1.00 0.00 S ATOM 0 H CYS A 25 -4.330 -0.244 -34.176 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.998 2.205 -32.682 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.025 -0.140 -32.248 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.461 -0.567 -31.583 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.182 0.073 -29.440 1.00 0.00 H new ATOM 444 N GLN A 26 -2.835 2.458 -31.380 1.00 0.00 N ATOM 445 CA GLN A 26 -1.505 2.789 -30.883 1.00 0.00 C ATOM 446 C GLN A 26 -1.177 1.986 -29.629 1.00 0.00 C ATOM 447 O GLN A 26 -1.861 2.098 -28.611 1.00 0.00 O ATOM 448 CB GLN A 26 -1.408 4.286 -30.584 1.00 0.00 C ATOM 449 CG GLN A 26 -2.436 4.773 -29.575 1.00 0.00 C ATOM 450 CD GLN A 26 -3.216 5.975 -30.071 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.465 6.117 -31.268 1.00 0.00 O ATOM 452 NE2 GLN A 26 -3.605 6.849 -29.150 1.00 0.00 N ATOM 0 H GLN A 26 -3.587 3.020 -30.981 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.781 2.532 -31.656 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.409 4.509 -30.209 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.531 4.842 -31.513 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.129 3.963 -29.348 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.932 5.031 -28.644 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.376 6.691 -28.169 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.132 7.678 -29.424 1.00 0.00 H new ATOM 461 N CYS A 27 -0.127 1.175 -29.709 1.00 0.00 N ATOM 462 CA CYS A 27 0.292 0.352 -28.581 1.00 0.00 C ATOM 463 C CYS A 27 1.656 0.793 -28.062 1.00 0.00 C ATOM 464 O CYS A 27 2.581 1.027 -28.840 1.00 0.00 O ATOM 465 CB CYS A 27 0.340 -1.122 -28.988 1.00 0.00 C ATOM 466 SG CYS A 27 -0.533 -2.229 -27.856 1.00 0.00 S ATOM 0 H CYS A 27 0.449 1.070 -30.544 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.438 0.477 -27.781 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.089 -1.227 -29.985 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.382 -1.436 -29.055 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.808 -3.344 -28.465 1.00 0.00 H new ATOM 472 N TRP A 28 1.773 0.907 -26.744 1.00 0.00 N ATOM 473 CA TRP A 28 3.025 1.323 -26.121 1.00 0.00 C ATOM 474 C TRP A 28 4.061 0.206 -26.182 1.00 0.00 C ATOM 475 O TRP A 28 3.823 -0.902 -25.700 1.00 0.00 O ATOM 476 CB TRP A 28 2.784 1.732 -24.667 1.00 0.00 C ATOM 477 CG TRP A 28 2.471 3.189 -24.505 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.294 3.731 -24.074 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.347 4.289 -24.772 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.386 5.102 -24.058 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.636 5.469 -24.481 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.665 4.392 -25.227 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.198 6.734 -24.632 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.221 5.648 -25.377 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.490 6.805 -25.079 1.00 0.00 C ATOM 0 H TRP A 28 1.017 0.717 -26.086 1.00 0.00 H new ATOM 0 HA TRP A 28 3.409 2.180 -26.674 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.960 1.143 -24.263 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.668 1.490 -24.077 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.420 3.165 -23.788 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.644 5.743 -23.777 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.238 3.506 -25.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.635 7.627 -24.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.237 5.739 -25.730 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.955 7.772 -25.204 1.00 0.00 H new ATOM 496 N VAL A 29 5.211 0.503 -26.778 1.00 0.00 N ATOM 497 CA VAL A 29 6.284 -0.477 -26.901 1.00 0.00 C ATOM 498 C VAL A 29 7.353 -0.257 -25.837 1.00 0.00 C ATOM 499 O VAL A 29 8.071 0.742 -25.862 1.00 0.00 O ATOM 500 CB VAL A 29 6.941 -0.418 -28.293 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.928 -1.563 -28.467 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.881 -0.447 -29.384 1.00 0.00 C ATOM 0 H VAL A 29 5.424 1.414 -27.183 1.00 0.00 H new ATOM 0 HA VAL A 29 5.833 -1.460 -26.762 1.00 0.00 H new ATOM 0 HB VAL A 29 7.491 0.520 -28.377 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.382 -1.505 -29.456 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.705 -1.492 -27.706 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.405 -2.513 -28.363 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.363 -0.405 -30.361 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.302 -1.367 -29.305 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.217 0.410 -29.269 1.00 0.00 H new ATOM 512 N GLN A 30 7.453 -1.199 -24.904 1.00 0.00 N ATOM 513 CA GLN A 30 8.435 -1.107 -23.830 1.00 0.00 C ATOM 514 C GLN A 30 9.672 -1.940 -24.151 1.00 0.00 C ATOM 515 O GLN A 30 9.658 -3.165 -24.029 1.00 0.00 O ATOM 516 CB GLN A 30 7.822 -1.573 -22.508 1.00 0.00 C ATOM 517 CG GLN A 30 8.526 -1.016 -21.281 1.00 0.00 C ATOM 518 CD GLN A 30 8.185 -1.779 -20.016 1.00 0.00 C ATOM 519 OE1 GLN A 30 7.195 -1.483 -19.346 1.00 0.00 O ATOM 520 NE2 GLN A 30 9.005 -2.769 -19.683 1.00 0.00 N ATOM 0 H GLN A 30 6.867 -2.033 -24.870 1.00 0.00 H new ATOM 0 HA GLN A 30 8.736 -0.064 -23.735 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.773 -1.278 -22.480 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.848 -2.662 -22.469 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.604 -1.047 -21.440 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.252 0.031 -21.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.814 -2.980 -20.268 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.826 -3.319 -18.843 1.00 0.00 H new ATOM 529 N LYS A 31 10.741 -1.267 -24.563 1.00 0.00 N ATOM 530 CA LYS A 31 11.988 -1.944 -24.901 1.00 0.00 C ATOM 531 C LYS A 31 12.759 -2.325 -23.641 1.00 0.00 C ATOM 532 O LYS A 31 12.468 -1.834 -22.552 1.00 0.00 O ATOM 533 CB LYS A 31 12.853 -1.049 -25.790 1.00 0.00 C ATOM 534 CG LYS A 31 12.148 -0.581 -27.052 1.00 0.00 C ATOM 535 CD LYS A 31 12.249 -1.614 -28.162 1.00 0.00 C ATOM 536 CE LYS A 31 11.127 -2.636 -28.076 1.00 0.00 C ATOM 537 NZ LYS A 31 10.664 -3.067 -29.424 1.00 0.00 N ATOM 0 H LYS A 31 10.769 -0.253 -24.671 1.00 0.00 H new ATOM 0 HA LYS A 31 11.742 -2.856 -25.445 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.169 -0.178 -25.216 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.756 -1.592 -26.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.099 -0.383 -26.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.586 0.359 -27.387 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.214 -1.114 -29.130 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.211 -2.122 -28.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.470 -3.505 -27.515 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.289 -2.210 -27.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.865 -3.725 -29.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.360 -2.235 -29.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.443 -3.542 -29.923 1.00 0.00 H new ATOM 551 N ASN A 32 13.745 -3.203 -23.799 1.00 0.00 N ATOM 552 CA ASN A 32 14.559 -3.649 -22.674 1.00 0.00 C ATOM 553 C ASN A 32 15.108 -2.458 -21.895 1.00 0.00 C ATOM 554 O ASN A 32 15.012 -2.408 -20.668 1.00 0.00 O ATOM 555 CB ASN A 32 15.712 -4.525 -23.168 1.00 0.00 C ATOM 556 CG ASN A 32 15.226 -5.753 -23.914 1.00 0.00 C ATOM 557 OD1 ASN A 32 14.024 -5.960 -24.075 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.163 -6.575 -24.373 1.00 0.00 N ATOM 0 H ASN A 32 13.999 -3.619 -24.695 1.00 0.00 H new ATOM 0 HA ASN A 32 13.926 -4.235 -22.008 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.357 -3.938 -23.822 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.319 -4.836 -22.318 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.897 -7.418 -24.882 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.148 -6.363 -24.216 1.00 0.00 H new ATOM 565 N ASP A 33 15.684 -1.501 -22.615 1.00 0.00 N ATOM 566 CA ASP A 33 16.247 -0.309 -21.991 1.00 0.00 C ATOM 567 C ASP A 33 15.847 0.946 -22.759 1.00 0.00 C ATOM 568 O ASP A 33 16.520 1.974 -22.681 1.00 0.00 O ATOM 569 CB ASP A 33 17.772 -0.416 -21.922 1.00 0.00 C ATOM 570 CG ASP A 33 18.393 -0.717 -23.272 1.00 0.00 C ATOM 571 OD1 ASP A 33 18.614 0.236 -24.048 1.00 0.00 O ATOM 572 OD2 ASP A 33 18.657 -1.905 -23.552 1.00 0.00 O ATOM 0 H ASP A 33 15.773 -1.528 -23.631 1.00 0.00 H new ATOM 0 HA ASP A 33 15.849 -0.236 -20.979 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.182 0.518 -21.537 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.047 -1.200 -21.216 1.00 0.00 H new ATOM 577 N GLU A 34 14.749 0.855 -23.502 1.00 0.00 N ATOM 578 CA GLU A 34 14.261 1.984 -24.286 1.00 0.00 C ATOM 579 C GLU A 34 12.739 2.074 -24.222 1.00 0.00 C ATOM 580 O GLU A 34 12.078 1.188 -23.681 1.00 0.00 O ATOM 581 CB GLU A 34 14.715 1.856 -25.742 1.00 0.00 C ATOM 582 CG GLU A 34 16.118 2.384 -25.990 1.00 0.00 C ATOM 583 CD GLU A 34 16.661 1.981 -27.348 1.00 0.00 C ATOM 584 OE1 GLU A 34 17.119 0.827 -27.486 1.00 0.00 O ATOM 585 OE2 GLU A 34 16.628 2.820 -28.272 1.00 0.00 O ATOM 0 H GLU A 34 14.180 0.012 -23.578 1.00 0.00 H new ATOM 0 HA GLU A 34 14.679 2.896 -23.861 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.673 0.807 -26.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.015 2.394 -26.381 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.112 3.471 -25.913 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.785 2.013 -25.212 1.00 0.00 H new ATOM 592 N GLU A 35 12.192 3.150 -24.779 1.00 0.00 N ATOM 593 CA GLU A 35 10.748 3.356 -24.784 1.00 0.00 C ATOM 594 C GLU A 35 10.286 3.933 -26.118 1.00 0.00 C ATOM 595 O GLU A 35 10.686 5.031 -26.504 1.00 0.00 O ATOM 596 CB GLU A 35 10.340 4.290 -23.643 1.00 0.00 C ATOM 597 CG GLU A 35 9.290 3.699 -22.717 1.00 0.00 C ATOM 598 CD GLU A 35 9.432 4.184 -21.288 1.00 0.00 C ATOM 599 OE1 GLU A 35 10.512 3.975 -20.695 1.00 0.00 O ATOM 600 OE2 GLU A 35 8.465 4.773 -20.762 1.00 0.00 O ATOM 0 H GLU A 35 12.726 3.892 -25.232 1.00 0.00 H new ATOM 0 HA GLU A 35 10.268 2.388 -24.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.225 4.545 -23.059 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.958 5.220 -24.065 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.298 3.957 -23.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.364 2.612 -22.737 1.00 0.00 H new ATOM 607 N ARG A 36 9.441 3.183 -26.819 1.00 0.00 N ATOM 608 CA ARG A 36 8.925 3.618 -28.112 1.00 0.00 C ATOM 609 C ARG A 36 7.447 3.265 -28.254 1.00 0.00 C ATOM 610 O ARG A 36 6.869 2.608 -27.387 1.00 0.00 O ATOM 611 CB ARG A 36 9.725 2.977 -29.247 1.00 0.00 C ATOM 612 CG ARG A 36 11.137 3.523 -29.381 1.00 0.00 C ATOM 613 CD ARG A 36 11.157 4.830 -30.157 1.00 0.00 C ATOM 614 NE ARG A 36 12.512 5.353 -30.313 1.00 0.00 N ATOM 615 CZ ARG A 36 12.854 6.242 -31.239 1.00 0.00 C ATOM 616 NH1 ARG A 36 11.946 6.705 -32.087 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.108 6.670 -31.318 1.00 0.00 N ATOM 0 H ARG A 36 9.099 2.272 -26.513 1.00 0.00 H new ATOM 0 HA ARG A 36 9.030 4.701 -28.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.775 1.901 -29.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.194 3.131 -30.186 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.563 3.680 -28.390 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.766 2.789 -29.886 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.713 4.675 -31.140 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.541 5.567 -29.642 1.00 0.00 H new ATOM 0 HE ARG A 36 13.235 5.017 -29.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.981 6.379 -32.030 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.212 7.388 -32.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.810 6.316 -30.668 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.370 7.353 -32.029 1.00 0.00 H new ATOM 631 N LEU A 37 6.842 3.707 -29.351 1.00 0.00 N ATOM 632 CA LEU A 37 5.431 3.438 -29.607 1.00 0.00 C ATOM 633 C LEU A 37 5.235 2.829 -30.992 1.00 0.00 C ATOM 634 O LEU A 37 5.920 3.199 -31.945 1.00 0.00 O ATOM 635 CB LEU A 37 4.616 4.726 -29.484 1.00 0.00 C ATOM 636 CG LEU A 37 3.134 4.620 -29.847 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.340 4.041 -28.687 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.585 5.982 -30.246 1.00 0.00 C ATOM 0 H LEU A 37 7.306 4.253 -30.077 1.00 0.00 H new ATOM 0 HA LEU A 37 5.082 2.722 -28.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.693 5.085 -28.458 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.072 5.483 -30.121 1.00 0.00 H new ATOM 0 HG LEU A 37 3.035 3.947 -30.699 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.288 3.973 -28.964 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.717 3.047 -28.448 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.445 4.688 -27.816 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.529 5.888 -30.501 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.697 6.677 -29.414 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.135 6.357 -31.109 1.00 0.00 H new ATOM 650 N ALA A 38 4.295 1.896 -31.095 1.00 0.00 N ATOM 651 CA ALA A 38 4.006 1.239 -32.363 1.00 0.00 C ATOM 652 C ALA A 38 2.505 1.194 -32.629 1.00 0.00 C ATOM 653 O ALA A 38 1.700 1.473 -31.741 1.00 0.00 O ATOM 654 CB ALA A 38 4.588 -0.167 -32.375 1.00 0.00 C ATOM 0 H ALA A 38 3.720 1.578 -30.315 1.00 0.00 H new ATOM 0 HA ALA A 38 4.472 1.820 -33.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.364 -0.645 -33.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.668 -0.115 -32.240 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.149 -0.749 -31.565 1.00 0.00 H new ATOM 660 N GLU A 39 2.137 0.843 -33.857 1.00 0.00 N ATOM 661 CA GLU A 39 0.731 0.765 -34.239 1.00 0.00 C ATOM 662 C GLU A 39 0.374 -0.642 -34.710 1.00 0.00 C ATOM 663 O GLU A 39 1.243 -1.407 -35.128 1.00 0.00 O ATOM 664 CB GLU A 39 0.422 1.778 -35.343 1.00 0.00 C ATOM 665 CG GLU A 39 -1.063 2.035 -35.535 1.00 0.00 C ATOM 666 CD GLU A 39 -1.339 3.298 -36.327 1.00 0.00 C ATOM 667 OE1 GLU A 39 -0.463 3.705 -37.118 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.430 3.880 -36.155 1.00 0.00 O ATOM 0 H GLU A 39 2.791 0.608 -34.604 1.00 0.00 H new ATOM 0 HA GLU A 39 0.129 1.001 -33.362 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.918 2.720 -35.109 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.844 1.420 -36.282 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.512 1.184 -36.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.544 2.110 -34.560 1.00 0.00 H new ATOM 675 N ILE A 40 -0.911 -0.975 -34.638 1.00 0.00 N ATOM 676 CA ILE A 40 -1.383 -2.288 -35.058 1.00 0.00 C ATOM 677 C ILE A 40 -1.985 -2.235 -36.458 1.00 0.00 C ATOM 678 O ILE A 40 -2.800 -1.363 -36.763 1.00 0.00 O ATOM 679 CB ILE A 40 -2.435 -2.847 -34.081 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.850 -2.947 -32.670 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.928 -4.206 -34.553 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.707 -3.932 -32.559 1.00 0.00 C ATOM 0 H ILE A 40 -1.643 -0.354 -34.293 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.515 -2.948 -35.063 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.284 -2.164 -34.055 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.502 -1.962 -32.359 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.640 -3.239 -31.978 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.671 -4.587 -33.852 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.379 -4.107 -35.541 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.089 -4.899 -34.605 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.342 -3.951 -31.532 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.055 -4.926 -32.839 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.100 -3.629 -33.226 1.00 0.00 H new ATOM 694 N LEU A 41 -1.580 -3.174 -37.306 1.00 0.00 N ATOM 695 CA LEU A 41 -2.080 -3.235 -38.675 1.00 0.00 C ATOM 696 C LEU A 41 -3.044 -4.404 -38.850 1.00 0.00 C ATOM 697 O LEU A 41 -4.235 -4.209 -39.093 1.00 0.00 O ATOM 698 CB LEU A 41 -0.916 -3.368 -39.659 1.00 0.00 C ATOM 699 CG LEU A 41 -0.273 -2.059 -40.117 1.00 0.00 C ATOM 700 CD1 LEU A 41 -1.201 -1.308 -41.059 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.087 -1.193 -38.918 1.00 0.00 C ATOM 0 H LEU A 41 -0.907 -3.903 -37.070 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.618 -2.310 -38.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.146 -3.986 -39.198 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.270 -3.903 -40.540 1.00 0.00 H new ATOM 0 HG LEU A 41 0.644 -2.297 -40.657 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.726 -0.379 -41.374 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.408 -1.924 -41.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.135 -1.081 -40.545 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.544 -0.265 -39.263 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.815 -0.964 -38.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.791 -1.728 -38.281 1.00 0.00 H new ATOM 713 N SER A 42 -2.522 -5.620 -38.723 1.00 0.00 N ATOM 714 CA SER A 42 -3.336 -6.821 -38.868 1.00 0.00 C ATOM 715 C SER A 42 -3.104 -7.779 -37.704 1.00 0.00 C ATOM 716 O SER A 42 -2.103 -7.680 -36.995 1.00 0.00 O ATOM 717 CB SER A 42 -3.017 -7.521 -40.191 1.00 0.00 C ATOM 718 OG SER A 42 -1.624 -7.744 -40.327 1.00 0.00 O ATOM 0 H SER A 42 -1.539 -5.799 -38.520 1.00 0.00 H new ATOM 0 HA SER A 42 -4.384 -6.522 -38.866 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.547 -8.472 -40.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.374 -6.914 -41.023 1.00 0.00 H new ATOM 0 HG SER A 42 -1.446 -8.194 -41.179 1.00 0.00 H new ATOM 724 N ILE A 43 -4.038 -8.705 -37.513 1.00 0.00 N ATOM 725 CA ILE A 43 -3.935 -9.682 -36.436 1.00 0.00 C ATOM 726 C ILE A 43 -4.119 -11.101 -36.962 1.00 0.00 C ATOM 727 O ILE A 43 -5.098 -11.399 -37.644 1.00 0.00 O ATOM 728 CB ILE A 43 -4.978 -9.415 -35.334 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.792 -8.011 -34.755 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.870 -10.465 -34.238 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.815 -7.652 -33.700 1.00 0.00 C ATOM 0 H ILE A 43 -4.874 -8.799 -38.090 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.936 -9.582 -36.012 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.974 -9.477 -35.773 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.794 -7.934 -34.323 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.846 -7.283 -35.564 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.613 -10.263 -33.466 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.047 -11.453 -34.662 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.873 -10.431 -33.799 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.622 -6.643 -33.334 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.815 -7.696 -34.133 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.747 -8.357 -32.872 1.00 0.00 H new ATOM 743 N ASN A 44 -3.171 -11.974 -36.636 1.00 0.00 N ATOM 744 CA ASN A 44 -3.229 -13.364 -37.074 1.00 0.00 C ATOM 745 C ASN A 44 -3.472 -14.298 -35.892 1.00 0.00 C ATOM 746 O ASN A 44 -2.779 -14.226 -34.877 1.00 0.00 O ATOM 747 CB ASN A 44 -1.931 -13.751 -37.786 1.00 0.00 C ATOM 748 CG ASN A 44 -1.965 -15.170 -38.319 1.00 0.00 C ATOM 749 OD1 ASN A 44 -3.030 -15.778 -38.432 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.796 -15.706 -38.650 1.00 0.00 N ATOM 0 H ASN A 44 -2.354 -11.744 -36.070 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.062 -13.465 -37.770 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.752 -13.060 -38.610 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.095 -13.645 -37.094 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.756 -16.658 -39.014 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.062 -15.166 -38.540 1.00 0.00 H new ATOM 757 N THR A 45 -4.462 -15.174 -36.031 1.00 0.00 N ATOM 758 CA THR A 45 -4.798 -16.121 -34.976 1.00 0.00 C ATOM 759 C THR A 45 -4.480 -17.551 -35.399 1.00 0.00 C ATOM 760 O THR A 45 -5.252 -18.473 -35.136 1.00 0.00 O ATOM 761 CB THR A 45 -6.287 -16.031 -34.592 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.102 -16.453 -35.691 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.658 -14.610 -34.195 1.00 0.00 C ATOM 0 H THR A 45 -5.045 -15.247 -36.865 1.00 0.00 H new ATOM 0 HA THR A 45 -4.191 -15.857 -34.110 1.00 0.00 H new ATOM 0 HB THR A 45 -6.460 -16.687 -33.739 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.047 -16.395 -35.439 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.714 -14.571 -33.928 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.056 -14.302 -33.340 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.470 -13.938 -35.032 1.00 0.00 H new ATOM 771 N ARG A 46 -3.338 -17.729 -36.054 1.00 0.00 N ATOM 772 CA ARG A 46 -2.918 -19.047 -36.514 1.00 0.00 C ATOM 773 C ARG A 46 -1.934 -19.677 -35.533 1.00 0.00 C ATOM 774 O ARG A 46 -1.810 -20.900 -35.459 1.00 0.00 O ATOM 775 CB ARG A 46 -2.279 -18.948 -37.901 1.00 0.00 C ATOM 776 CG ARG A 46 -1.920 -20.296 -38.504 1.00 0.00 C ATOM 777 CD ARG A 46 -1.030 -20.140 -39.727 1.00 0.00 C ATOM 778 NE ARG A 46 -0.504 -21.421 -40.188 1.00 0.00 N ATOM 779 CZ ARG A 46 0.190 -21.570 -41.312 1.00 0.00 C ATOM 780 NH1 ARG A 46 0.440 -20.521 -42.083 1.00 0.00 N ATOM 781 NH2 ARG A 46 0.635 -22.769 -41.664 1.00 0.00 N ATOM 0 H ARG A 46 -2.687 -16.977 -36.278 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.802 -19.682 -36.574 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.965 -18.431 -38.572 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.378 -18.338 -37.834 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.411 -20.906 -37.758 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.831 -20.826 -38.781 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.597 -19.671 -40.531 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.202 -19.472 -39.490 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.679 -22.247 -39.616 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.100 -19.598 -41.814 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.973 -20.637 -42.945 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.445 -23.578 -41.072 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.167 -22.882 -42.527 1.00 0.00 H new ATOM 795 N LYS A 47 -1.235 -18.834 -34.781 1.00 0.00 N ATOM 796 CA LYS A 47 -0.261 -19.307 -33.803 1.00 0.00 C ATOM 797 C LYS A 47 -0.745 -19.041 -32.381 1.00 0.00 C ATOM 798 O LYS A 47 -1.759 -18.374 -32.175 1.00 0.00 O ATOM 799 CB LYS A 47 1.090 -18.626 -34.029 1.00 0.00 C ATOM 800 CG LYS A 47 1.839 -19.148 -35.243 1.00 0.00 C ATOM 801 CD LYS A 47 2.188 -20.620 -35.092 1.00 0.00 C ATOM 802 CE LYS A 47 3.095 -21.095 -36.217 1.00 0.00 C ATOM 803 NZ LYS A 47 3.245 -22.577 -36.220 1.00 0.00 N ATOM 0 H LYS A 47 -1.324 -17.819 -34.830 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.145 -20.383 -33.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.932 -17.554 -34.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.710 -18.764 -33.143 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.230 -19.007 -36.136 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.752 -18.569 -35.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.680 -20.782 -34.133 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.274 -21.213 -35.085 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.688 -20.769 -37.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.076 -20.631 -36.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.870 -22.861 -37.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.657 -22.886 -35.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.312 -23.020 -36.344 1.00 0.00 H new ATOM 817 N ALA A 48 -0.014 -19.566 -31.404 1.00 0.00 N ATOM 818 CA ALA A 48 -0.367 -19.382 -30.002 1.00 0.00 C ATOM 819 C ALA A 48 0.871 -19.098 -29.157 1.00 0.00 C ATOM 820 O ALA A 48 1.732 -19.957 -28.967 1.00 0.00 O ATOM 821 CB ALA A 48 -1.097 -20.609 -29.476 1.00 0.00 C ATOM 0 H ALA A 48 0.827 -20.123 -31.558 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.030 -18.520 -29.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.355 -20.458 -28.428 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.007 -20.766 -30.054 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.453 -21.483 -29.569 1.00 0.00 H new ATOM 827 N PRO A 49 0.963 -17.865 -28.638 1.00 0.00 N ATOM 828 CA PRO A 49 -0.056 -16.835 -28.858 1.00 0.00 C ATOM 829 C PRO A 49 -0.071 -16.333 -30.298 1.00 0.00 C ATOM 830 O PRO A 49 0.836 -16.603 -31.084 1.00 0.00 O ATOM 831 CB PRO A 49 0.363 -15.712 -27.905 1.00 0.00 C ATOM 832 CG PRO A 49 1.830 -15.899 -27.721 1.00 0.00 C ATOM 833 CD PRO A 49 2.071 -17.382 -27.796 1.00 0.00 C ATOM 0 HA PRO A 49 -1.063 -17.212 -28.678 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.139 -14.732 -28.325 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.167 -15.780 -26.955 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.390 -15.373 -28.494 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.157 -15.498 -26.762 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.041 -17.610 -28.238 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.055 -17.842 -26.808 1.00 0.00 H new ATOM 841 N PRO A 50 -1.126 -15.585 -30.653 1.00 0.00 N ATOM 842 CA PRO A 50 -1.285 -15.029 -32.000 1.00 0.00 C ATOM 843 C PRO A 50 -0.277 -13.923 -32.293 1.00 0.00 C ATOM 844 O PRO A 50 0.215 -13.259 -31.380 1.00 0.00 O ATOM 845 CB PRO A 50 -2.708 -14.466 -31.987 1.00 0.00 C ATOM 846 CG PRO A 50 -2.987 -14.177 -30.552 1.00 0.00 C ATOM 847 CD PRO A 50 -2.245 -15.223 -29.767 1.00 0.00 C ATOM 0 HA PRO A 50 -1.117 -15.779 -32.773 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.783 -13.564 -32.594 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.421 -15.183 -32.393 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.651 -13.176 -30.283 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.056 -14.220 -30.346 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.892 -14.833 -28.812 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.877 -16.083 -29.546 1.00 0.00 H new ATOM 855 N LYS A 51 0.026 -13.728 -33.572 1.00 0.00 N ATOM 856 CA LYS A 51 0.974 -12.701 -33.986 1.00 0.00 C ATOM 857 C LYS A 51 0.246 -11.457 -34.484 1.00 0.00 C ATOM 858 O LYS A 51 -0.879 -11.540 -34.978 1.00 0.00 O ATOM 859 CB LYS A 51 1.894 -13.240 -35.084 1.00 0.00 C ATOM 860 CG LYS A 51 2.474 -14.609 -34.774 1.00 0.00 C ATOM 861 CD LYS A 51 3.587 -14.975 -35.742 1.00 0.00 C ATOM 862 CE LYS A 51 3.082 -15.035 -37.175 1.00 0.00 C ATOM 863 NZ LYS A 51 2.071 -16.113 -37.363 1.00 0.00 N ATOM 0 H LYS A 51 -0.372 -14.268 -34.340 1.00 0.00 H new ATOM 0 HA LYS A 51 1.575 -12.426 -33.119 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.337 -13.294 -36.019 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.711 -12.535 -35.240 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.859 -14.620 -33.754 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.685 -15.359 -34.825 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.390 -14.242 -35.669 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.010 -15.940 -35.464 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.643 -14.075 -37.446 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.922 -15.203 -37.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.877 -16.234 -38.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.437 -17.004 -36.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.192 -15.854 -36.871 1.00 0.00 H new ATOM 877 N PHE A 52 0.894 -10.304 -34.353 1.00 0.00 N ATOM 878 CA PHE A 52 0.307 -9.043 -34.790 1.00 0.00 C ATOM 879 C PHE A 52 1.317 -8.220 -35.585 1.00 0.00 C ATOM 880 O PHE A 52 2.494 -8.151 -35.230 1.00 0.00 O ATOM 881 CB PHE A 52 -0.186 -8.241 -33.585 1.00 0.00 C ATOM 882 CG PHE A 52 -0.873 -9.080 -32.546 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.967 -9.862 -32.881 1.00 0.00 C ATOM 884 CD2 PHE A 52 -0.425 -9.088 -31.235 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.602 -10.636 -31.927 1.00 0.00 C ATOM 886 CE2 PHE A 52 -1.055 -9.860 -30.278 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.145 -10.635 -30.624 1.00 0.00 C ATOM 0 H PHE A 52 1.826 -10.217 -33.948 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.540 -9.270 -35.437 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.662 -7.732 -33.127 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.874 -7.469 -33.930 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.328 -9.867 -33.899 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.426 -8.484 -30.958 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.454 -11.240 -32.201 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.695 -9.858 -29.260 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.639 -11.239 -29.877 1.00 0.00 H new ATOM 897 N TYR A 53 0.848 -7.598 -36.661 1.00 0.00 N ATOM 898 CA TYR A 53 1.710 -6.782 -37.508 1.00 0.00 C ATOM 899 C TYR A 53 1.870 -5.379 -36.931 1.00 0.00 C ATOM 900 O TYR A 53 0.931 -4.583 -36.933 1.00 0.00 O ATOM 901 CB TYR A 53 1.138 -6.701 -38.924 1.00 0.00 C ATOM 902 CG TYR A 53 2.144 -6.245 -39.958 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.431 -6.767 -39.981 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.807 -5.291 -40.910 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.353 -6.353 -40.923 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.722 -4.872 -41.856 1.00 0.00 C ATOM 907 CZ TYR A 53 3.994 -5.406 -41.858 1.00 0.00 C ATOM 908 OH TYR A 53 4.909 -4.990 -42.798 1.00 0.00 O ATOM 0 H TYR A 53 -0.124 -7.643 -36.967 1.00 0.00 H new ATOM 0 HA TYR A 53 2.692 -7.254 -37.546 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.755 -7.681 -39.209 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.291 -6.015 -38.926 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.716 -7.509 -39.250 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.813 -4.870 -40.910 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.350 -6.769 -40.927 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.443 -4.130 -42.590 1.00 0.00 H new ATOM 0 HH TYR A 53 5.798 -4.939 -42.389 1.00 0.00 H new ATOM 918 N VAL A 54 3.069 -5.083 -36.437 1.00 0.00 N ATOM 919 CA VAL A 54 3.355 -3.776 -35.858 1.00 0.00 C ATOM 920 C VAL A 54 4.028 -2.860 -36.874 1.00 0.00 C ATOM 921 O VAL A 54 4.913 -3.284 -37.619 1.00 0.00 O ATOM 922 CB VAL A 54 4.258 -3.898 -34.616 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.504 -4.555 -33.471 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.521 -4.677 -34.951 1.00 0.00 C ATOM 0 H VAL A 54 3.857 -5.731 -36.427 1.00 0.00 H new ATOM 0 HA VAL A 54 2.399 -3.345 -35.562 1.00 0.00 H new ATOM 0 HB VAL A 54 4.550 -2.897 -34.300 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.158 -4.633 -32.602 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.632 -3.952 -33.216 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.181 -5.551 -33.772 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.148 -4.754 -34.062 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.252 -5.676 -35.293 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.070 -4.160 -35.738 1.00 0.00 H new ATOM 934 N HIS A 55 3.604 -1.600 -36.900 1.00 0.00 N ATOM 935 CA HIS A 55 4.167 -0.623 -37.825 1.00 0.00 C ATOM 936 C HIS A 55 4.608 0.635 -37.083 1.00 0.00 C ATOM 937 O HIS A 55 3.998 1.028 -36.088 1.00 0.00 O ATOM 938 CB HIS A 55 3.144 -0.261 -38.902 1.00 0.00 C ATOM 939 CG HIS A 55 3.686 0.651 -39.960 1.00 0.00 C ATOM 940 ND1 HIS A 55 4.953 0.521 -40.488 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.124 1.709 -40.590 1.00 0.00 C ATOM 942 CE1 HIS A 55 5.148 1.461 -41.396 1.00 0.00 C ATOM 943 NE2 HIS A 55 4.053 2.195 -41.477 1.00 0.00 N ATOM 0 H HIS A 55 2.873 -1.232 -36.291 1.00 0.00 H new ATOM 0 HA HIS A 55 5.041 -1.069 -38.300 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.784 -1.176 -39.372 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.284 0.214 -38.430 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.130 2.098 -40.426 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.049 1.605 -41.974 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.919 2.993 -42.098 1.00 0.00 H new ATOM 951 N TYR A 56 5.672 1.262 -37.572 1.00 0.00 N ATOM 952 CA TYR A 56 6.198 2.473 -36.954 1.00 0.00 C ATOM 953 C TYR A 56 5.737 3.715 -37.711 1.00 0.00 C ATOM 954 O TYR A 56 5.565 3.686 -38.930 1.00 0.00 O ATOM 955 CB TYR A 56 7.726 2.427 -36.910 1.00 0.00 C ATOM 956 CG TYR A 56 8.280 1.982 -35.575 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.722 0.908 -34.893 1.00 0.00 C ATOM 958 CD2 TYR A 56 9.360 2.636 -34.996 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.224 0.498 -33.673 1.00 0.00 C ATOM 960 CE2 TYR A 56 9.870 2.232 -33.777 1.00 0.00 C ATOM 961 CZ TYR A 56 9.298 1.163 -33.119 1.00 0.00 C ATOM 962 OH TYR A 56 9.802 0.759 -31.904 1.00 0.00 O ATOM 0 H TYR A 56 6.188 0.951 -38.395 1.00 0.00 H new ATOM 0 HA TYR A 56 5.814 2.526 -35.935 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.083 1.750 -37.686 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.118 3.417 -37.145 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.881 0.385 -35.324 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.809 3.475 -35.507 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.778 -0.339 -33.156 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.712 2.750 -33.342 1.00 0.00 H new ATOM 0 HH TYR A 56 10.558 1.332 -31.656 1.00 0.00 H new ATOM 972 N VAL A 57 5.538 4.807 -36.979 1.00 0.00 N ATOM 973 CA VAL A 57 5.099 6.061 -37.580 1.00 0.00 C ATOM 974 C VAL A 57 6.289 6.946 -37.936 1.00 0.00 C ATOM 975 O VAL A 57 6.265 8.155 -37.710 1.00 0.00 O ATOM 976 CB VAL A 57 4.160 6.836 -36.637 1.00 0.00 C ATOM 977 CG1 VAL A 57 2.908 6.024 -36.344 1.00 0.00 C ATOM 978 CG2 VAL A 57 4.882 7.201 -35.349 1.00 0.00 C ATOM 0 H VAL A 57 5.674 4.848 -35.969 1.00 0.00 H new ATOM 0 HA VAL A 57 4.557 5.804 -38.490 1.00 0.00 H new ATOM 0 HB VAL A 57 3.858 7.759 -37.132 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.257 6.588 -35.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.381 5.818 -37.276 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.187 5.083 -35.870 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.204 7.748 -34.694 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.215 6.292 -34.848 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.745 7.825 -35.580 1.00 0.00 H new ATOM 988 N ASN A 58 7.328 6.334 -38.494 1.00 0.00 N ATOM 989 CA ASN A 58 8.528 7.067 -38.881 1.00 0.00 C ATOM 990 C ASN A 58 8.958 6.697 -40.298 1.00 0.00 C ATOM 991 O ASN A 58 8.278 5.934 -40.984 1.00 0.00 O ATOM 992 CB ASN A 58 9.666 6.779 -37.900 1.00 0.00 C ATOM 993 CG ASN A 58 9.328 7.201 -36.483 1.00 0.00 C ATOM 994 OD1 ASN A 58 9.281 6.375 -35.572 1.00 0.00 O ATOM 995 ND2 ASN A 58 9.090 8.494 -36.291 1.00 0.00 N ATOM 0 H ASN A 58 7.363 5.333 -38.688 1.00 0.00 H new ATOM 0 HA ASN A 58 8.297 8.132 -38.856 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.893 5.713 -37.914 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.565 7.301 -38.227 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.857 8.837 -35.359 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.140 9.144 -37.076 1.00 0.00 H new ATOM 1002 N TYR A 59 10.090 7.243 -40.728 1.00 0.00 N ATOM 1003 CA TYR A 59 10.610 6.972 -42.063 1.00 0.00 C ATOM 1004 C TYR A 59 10.932 5.491 -42.232 1.00 0.00 C ATOM 1005 O TYR A 59 10.576 4.877 -43.237 1.00 0.00 O ATOM 1006 CB TYR A 59 11.861 7.812 -42.326 1.00 0.00 C ATOM 1007 CG TYR A 59 11.651 9.294 -42.117 1.00 0.00 C ATOM 1008 CD1 TYR A 59 10.754 10.006 -42.904 1.00 0.00 C ATOM 1009 CD2 TYR A 59 12.349 9.984 -41.134 1.00 0.00 C ATOM 1010 CE1 TYR A 59 10.559 11.361 -42.718 1.00 0.00 C ATOM 1011 CE2 TYR A 59 12.160 11.338 -40.939 1.00 0.00 C ATOM 1012 CZ TYR A 59 11.263 12.022 -41.734 1.00 0.00 C ATOM 1013 OH TYR A 59 11.073 13.372 -41.544 1.00 0.00 O ATOM 0 H TYR A 59 10.665 7.876 -40.172 1.00 0.00 H new ATOM 0 HA TYR A 59 9.841 7.242 -42.787 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.662 7.471 -41.670 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.194 7.642 -43.350 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.200 9.491 -43.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.052 9.452 -40.511 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.859 11.899 -43.340 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.711 11.858 -40.169 1.00 0.00 H new ATOM 0 HH TYR A 59 11.644 13.683 -40.811 1.00 0.00 H new ATOM 1023 N ASN A 60 11.610 4.923 -41.239 1.00 0.00 N ATOM 1024 CA ASN A 60 11.981 3.513 -41.277 1.00 0.00 C ATOM 1025 C ASN A 60 10.761 2.635 -41.539 1.00 0.00 C ATOM 1026 O ASN A 60 9.931 2.425 -40.655 1.00 0.00 O ATOM 1027 CB ASN A 60 12.643 3.104 -39.959 1.00 0.00 C ATOM 1028 CG ASN A 60 13.674 4.114 -39.492 1.00 0.00 C ATOM 1029 OD1 ASN A 60 13.527 4.721 -38.431 1.00 0.00 O ATOM 1030 ND2 ASN A 60 14.723 4.298 -40.285 1.00 0.00 N ATOM 0 H ASN A 60 11.913 5.417 -40.400 1.00 0.00 H new ATOM 0 HA ASN A 60 12.690 3.371 -42.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.878 2.989 -39.192 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.120 2.132 -40.082 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.449 4.965 -40.024 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.803 3.772 -41.155 1.00 0.00 H new ATOM 1037 N LYS A 61 10.659 2.125 -42.762 1.00 0.00 N ATOM 1038 CA LYS A 61 9.542 1.268 -43.143 1.00 0.00 C ATOM 1039 C LYS A 61 9.838 -0.191 -42.809 1.00 0.00 C ATOM 1040 O LYS A 61 8.924 -0.979 -42.567 1.00 0.00 O ATOM 1041 CB LYS A 61 9.249 1.411 -44.638 1.00 0.00 C ATOM 1042 CG LYS A 61 10.387 0.942 -45.528 1.00 0.00 C ATOM 1043 CD LYS A 61 9.972 0.904 -46.989 1.00 0.00 C ATOM 1044 CE LYS A 61 9.773 2.304 -47.549 1.00 0.00 C ATOM 1045 NZ LYS A 61 11.052 2.894 -48.034 1.00 0.00 N ATOM 0 H LYS A 61 11.336 2.290 -43.506 1.00 0.00 H new ATOM 0 HA LYS A 61 8.666 1.582 -42.576 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.351 0.842 -44.880 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.033 2.456 -44.859 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.242 1.608 -45.409 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.710 -0.051 -45.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.732 0.383 -47.571 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.048 0.335 -47.091 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.055 2.269 -48.369 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.346 2.946 -46.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.874 3.848 -48.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.729 2.951 -47.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.447 2.295 -48.787 1.00 0.00 H new ATOM 1059 N ARG A 62 11.119 -0.543 -42.798 1.00 0.00 N ATOM 1060 CA ARG A 62 11.534 -1.907 -42.494 1.00 0.00 C ATOM 1061 C ARG A 62 11.061 -2.323 -41.104 1.00 0.00 C ATOM 1062 O ARG A 62 10.868 -3.508 -40.831 1.00 0.00 O ATOM 1063 CB ARG A 62 13.056 -2.032 -42.585 1.00 0.00 C ATOM 1064 CG ARG A 62 13.802 -1.012 -41.741 1.00 0.00 C ATOM 1065 CD ARG A 62 15.286 -1.335 -41.660 1.00 0.00 C ATOM 1066 NE ARG A 62 16.027 -0.793 -42.796 1.00 0.00 N ATOM 1067 CZ ARG A 62 17.352 -0.723 -42.844 1.00 0.00 C ATOM 1068 NH1 ARG A 62 18.079 -1.159 -41.824 1.00 0.00 N ATOM 1069 NH2 ARG A 62 17.954 -0.217 -43.913 1.00 0.00 N ATOM 0 H ARG A 62 11.888 0.098 -42.996 1.00 0.00 H new ATOM 0 HA ARG A 62 11.077 -2.571 -43.228 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.349 -3.034 -42.272 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.360 -1.922 -43.626 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.668 -0.018 -42.167 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.378 -0.989 -40.737 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.695 -0.930 -40.734 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.420 -2.416 -41.622 1.00 0.00 H new ATOM 0 HE ARG A 62 15.497 -0.449 -43.597 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.620 -1.549 -41.001 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.097 -1.104 -41.863 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.399 0.119 -44.700 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.972 -0.164 -43.948 1.00 0.00 H new ATOM 1083 N LEU A 63 10.877 -1.340 -40.229 1.00 0.00 N ATOM 1084 CA LEU A 63 10.426 -1.603 -38.867 1.00 0.00 C ATOM 1085 C LEU A 63 9.107 -2.368 -38.867 1.00 0.00 C ATOM 1086 O LEU A 63 8.792 -3.084 -37.916 1.00 0.00 O ATOM 1087 CB LEU A 63 10.267 -0.289 -38.099 1.00 0.00 C ATOM 1088 CG LEU A 63 10.717 -0.308 -36.638 1.00 0.00 C ATOM 1089 CD1 LEU A 63 9.887 -1.299 -35.836 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.197 -0.646 -36.539 1.00 0.00 C ATOM 0 H LEU A 63 11.033 -0.354 -40.439 1.00 0.00 H new ATOM 0 HA LEU A 63 11.180 -2.217 -38.374 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.829 0.485 -38.622 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.217 0.003 -38.131 1.00 0.00 H new ATOM 0 HG LEU A 63 10.564 0.686 -36.219 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.222 -1.299 -34.799 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.836 -1.012 -35.878 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.007 -2.298 -36.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.499 -0.655 -35.492 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.376 -1.628 -36.977 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.778 0.103 -37.078 1.00 0.00 H new ATOM 1102 N ASP A 64 8.340 -2.214 -39.941 1.00 0.00 N ATOM 1103 CA ASP A 64 7.056 -2.892 -40.067 1.00 0.00 C ATOM 1104 C ASP A 64 7.246 -4.403 -40.161 1.00 0.00 C ATOM 1105 O ASP A 64 7.537 -4.936 -41.231 1.00 0.00 O ATOM 1106 CB ASP A 64 6.305 -2.384 -41.299 1.00 0.00 C ATOM 1107 CG ASP A 64 4.801 -2.498 -41.148 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.349 -3.093 -40.147 1.00 0.00 O ATOM 1109 OD2 ASP A 64 4.075 -1.994 -42.031 1.00 0.00 O ATOM 0 H ASP A 64 8.586 -1.625 -40.737 1.00 0.00 H new ATOM 0 HA ASP A 64 6.468 -2.672 -39.176 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.571 -1.342 -41.479 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.623 -2.950 -42.174 1.00 0.00 H new ATOM 1114 N GLU A 65 7.082 -5.086 -39.032 1.00 0.00 N ATOM 1115 CA GLU A 65 7.238 -6.535 -38.987 1.00 0.00 C ATOM 1116 C GLU A 65 6.176 -7.169 -38.093 1.00 0.00 C ATOM 1117 O GLU A 65 5.290 -6.484 -37.582 1.00 0.00 O ATOM 1118 CB GLU A 65 8.634 -6.904 -38.480 1.00 0.00 C ATOM 1119 CG GLU A 65 8.848 -6.597 -37.008 1.00 0.00 C ATOM 1120 CD GLU A 65 10.314 -6.442 -36.651 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.952 -7.459 -36.308 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.822 -5.303 -36.716 1.00 0.00 O ATOM 0 H GLU A 65 6.841 -4.659 -38.137 1.00 0.00 H new ATOM 0 HA GLU A 65 7.113 -6.920 -39.999 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.803 -7.967 -38.649 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.378 -6.366 -39.067 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.317 -5.681 -36.751 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.414 -7.396 -36.407 1.00 0.00 H new ATOM 1129 N TRP A 66 6.273 -8.481 -37.910 1.00 0.00 N ATOM 1130 CA TRP A 66 5.320 -9.209 -37.078 1.00 0.00 C ATOM 1131 C TRP A 66 5.925 -9.535 -35.717 1.00 0.00 C ATOM 1132 O TRP A 66 7.098 -9.897 -35.620 1.00 0.00 O ATOM 1133 CB TRP A 66 4.881 -10.496 -37.778 1.00 0.00 C ATOM 1134 CG TRP A 66 4.167 -10.255 -39.073 1.00 0.00 C ATOM 1135 CD1 TRP A 66 4.695 -9.713 -40.211 1.00 0.00 C ATOM 1136 CD2 TRP A 66 2.796 -10.544 -39.363 1.00 0.00 C ATOM 1137 NE1 TRP A 66 3.733 -9.649 -41.190 1.00 0.00 N ATOM 1138 CE2 TRP A 66 2.560 -10.154 -40.696 1.00 0.00 C ATOM 1139 CE3 TRP A 66 1.744 -11.098 -38.627 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 1.316 -10.298 -41.305 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 0.510 -11.240 -39.233 1.00 0.00 C ATOM 1142 CH2 TRP A 66 0.305 -10.843 -40.561 1.00 0.00 C ATOM 0 H TRP A 66 7.001 -9.062 -38.326 1.00 0.00 H new ATOM 0 HA TRP A 66 4.448 -8.573 -36.924 1.00 0.00 H new ATOM 0 HB2 TRP A 66 5.758 -11.116 -37.965 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.228 -11.059 -37.111 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.717 -9.384 -40.324 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.870 -9.284 -42.133 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.893 -11.409 -37.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.155 -9.991 -42.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.310 -11.664 -38.673 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.671 -10.970 -41.006 1.00 0.00 H new ATOM 1153 N ILE A 67 5.118 -9.406 -34.670 1.00 0.00 N ATOM 1154 CA ILE A 67 5.574 -9.690 -33.315 1.00 0.00 C ATOM 1155 C ILE A 67 4.426 -10.177 -32.438 1.00 0.00 C ATOM 1156 O ILE A 67 3.254 -10.000 -32.775 1.00 0.00 O ATOM 1157 CB ILE A 67 6.211 -8.448 -32.664 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.197 -7.304 -32.597 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.450 -8.021 -33.437 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.616 -6.178 -31.677 1.00 0.00 C ATOM 0 H ILE A 67 4.145 -9.107 -34.734 1.00 0.00 H new ATOM 0 HA ILE A 67 6.326 -10.476 -33.394 1.00 0.00 H new ATOM 0 HB ILE A 67 6.511 -8.702 -31.647 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.045 -6.905 -33.600 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.238 -7.699 -32.262 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.889 -7.142 -32.965 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.177 -8.834 -33.437 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.174 -7.781 -34.464 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.850 -5.402 -31.679 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.741 -6.562 -30.665 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.560 -5.757 -32.024 1.00 0.00 H new ATOM 1172 N THR A 68 4.768 -10.790 -31.310 1.00 0.00 N ATOM 1173 CA THR A 68 3.766 -11.302 -30.383 1.00 0.00 C ATOM 1174 C THR A 68 3.644 -10.407 -29.156 1.00 0.00 C ATOM 1175 O THR A 68 4.379 -9.430 -29.010 1.00 0.00 O ATOM 1176 CB THR A 68 4.103 -12.735 -29.928 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.400 -12.765 -29.324 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.063 -13.700 -31.104 1.00 0.00 C ATOM 0 H THR A 68 5.732 -10.944 -31.016 1.00 0.00 H new ATOM 0 HA THR A 68 2.816 -11.312 -30.918 1.00 0.00 H new ATOM 0 HB THR A 68 3.356 -13.046 -29.198 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.606 -13.679 -29.036 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.304 -14.705 -30.758 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.065 -13.697 -31.543 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.791 -13.390 -31.854 1.00 0.00 H new ATOM 1186 N THR A 69 2.709 -10.746 -28.273 1.00 0.00 N ATOM 1187 CA THR A 69 2.490 -9.972 -27.057 1.00 0.00 C ATOM 1188 C THR A 69 3.763 -9.885 -26.224 1.00 0.00 C ATOM 1189 O THR A 69 3.928 -8.967 -25.420 1.00 0.00 O ATOM 1190 CB THR A 69 1.368 -10.584 -26.197 1.00 0.00 C ATOM 1191 OG1 THR A 69 1.028 -9.692 -25.130 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.795 -11.927 -25.626 1.00 0.00 C ATOM 0 H THR A 69 2.092 -11.551 -28.377 1.00 0.00 H new ATOM 0 HA THR A 69 2.194 -8.970 -27.369 1.00 0.00 H new ATOM 0 HB THR A 69 0.496 -10.739 -26.833 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.313 -10.087 -24.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.986 -12.339 -25.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.025 -12.613 -26.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.680 -11.793 -25.004 1.00 0.00 H new ATOM 1200 N ASP A 70 4.661 -10.844 -26.421 1.00 0.00 N ATOM 1201 CA ASP A 70 5.921 -10.874 -25.689 1.00 0.00 C ATOM 1202 C ASP A 70 6.721 -9.597 -25.930 1.00 0.00 C ATOM 1203 O ASP A 70 7.575 -9.226 -25.125 1.00 0.00 O ATOM 1204 CB ASP A 70 6.747 -12.093 -26.101 1.00 0.00 C ATOM 1205 CG ASP A 70 6.412 -13.324 -25.281 1.00 0.00 C ATOM 1206 OD1 ASP A 70 5.268 -13.415 -24.790 1.00 0.00 O ATOM 1207 OD2 ASP A 70 7.295 -14.194 -25.129 1.00 0.00 O ATOM 0 H ASP A 70 4.539 -11.611 -27.082 1.00 0.00 H new ATOM 0 HA ASP A 70 5.692 -10.943 -24.625 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.575 -12.305 -27.156 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.807 -11.864 -25.991 1.00 0.00 H new ATOM 1212 N ARG A 71 6.439 -8.930 -27.045 1.00 0.00 N ATOM 1213 CA ARG A 71 7.133 -7.697 -27.393 1.00 0.00 C ATOM 1214 C ARG A 71 6.231 -6.485 -27.177 1.00 0.00 C ATOM 1215 O ARG A 71 6.700 -5.347 -27.152 1.00 0.00 O ATOM 1216 CB ARG A 71 7.601 -7.744 -28.849 1.00 0.00 C ATOM 1217 CG ARG A 71 8.545 -8.897 -29.149 1.00 0.00 C ATOM 1218 CD ARG A 71 9.975 -8.562 -28.755 1.00 0.00 C ATOM 1219 NE ARG A 71 10.218 -8.785 -27.333 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.372 -8.515 -26.733 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.383 -8.014 -27.428 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.516 -8.745 -25.434 1.00 0.00 N ATOM 0 H ARG A 71 5.735 -9.223 -27.722 1.00 0.00 H new ATOM 0 HA ARG A 71 8.002 -7.603 -26.741 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.730 -7.820 -29.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.099 -6.805 -29.092 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.217 -9.787 -28.611 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.505 -9.134 -30.212 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.664 -9.171 -29.340 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.184 -7.520 -28.999 1.00 0.00 H new ATOM 0 HE ARG A 71 9.460 -9.169 -26.769 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.276 -7.835 -28.426 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.268 -7.808 -26.965 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.740 -9.130 -24.895 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.403 -8.537 -24.975 1.00 0.00 H new ATOM 1236 N ILE A 72 4.936 -6.739 -27.021 1.00 0.00 N ATOM 1237 CA ILE A 72 3.970 -5.669 -26.806 1.00 0.00 C ATOM 1238 C ILE A 72 3.613 -5.539 -25.329 1.00 0.00 C ATOM 1239 O ILE A 72 3.530 -6.534 -24.610 1.00 0.00 O ATOM 1240 CB ILE A 72 2.680 -5.904 -27.614 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.000 -6.001 -29.108 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.680 -4.788 -27.352 1.00 0.00 C ATOM 1243 CD1 ILE A 72 1.827 -6.453 -29.948 1.00 0.00 C ATOM 0 H ILE A 72 4.532 -7.675 -27.039 1.00 0.00 H new ATOM 0 HA ILE A 72 4.440 -4.747 -27.147 1.00 0.00 H new ATOM 0 HB ILE A 72 2.234 -6.846 -27.295 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.337 -5.027 -29.463 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.828 -6.696 -29.250 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.774 -4.968 -27.930 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.434 -4.762 -26.290 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.115 -3.833 -27.647 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.126 -6.499 -30.995 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.503 -7.440 -29.619 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.005 -5.746 -29.836 1.00 0.00 H new ATOM 1255 N ASN A 73 3.402 -4.305 -24.883 1.00 0.00 N ATOM 1256 CA ASN A 73 3.053 -4.044 -23.491 1.00 0.00 C ATOM 1257 C ASN A 73 1.539 -4.050 -23.300 1.00 0.00 C ATOM 1258 O ASN A 73 0.921 -3.000 -23.120 1.00 0.00 O ATOM 1259 CB ASN A 73 3.630 -2.700 -23.042 1.00 0.00 C ATOM 1260 CG ASN A 73 3.858 -2.640 -21.544 1.00 0.00 C ATOM 1261 OD1 ASN A 73 3.869 -3.667 -20.865 1.00 0.00 O ATOM 1262 ND2 ASN A 73 4.041 -1.433 -21.021 1.00 0.00 N ATOM 0 H ASN A 73 3.467 -3.470 -25.465 1.00 0.00 H new ATOM 0 HA ASN A 73 3.482 -4.838 -22.880 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.574 -2.522 -23.558 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.951 -1.900 -23.336 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.199 -1.330 -20.019 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.024 -0.609 -21.622 1.00 0.00 H new ATOM 1269 N LEU A 74 0.949 -5.239 -23.339 1.00 0.00 N ATOM 1270 CA LEU A 74 -0.493 -5.383 -23.169 1.00 0.00 C ATOM 1271 C LEU A 74 -0.859 -5.498 -21.693 1.00 0.00 C ATOM 1272 O LEU A 74 -1.447 -6.491 -21.263 1.00 0.00 O ATOM 1273 CB LEU A 74 -0.996 -6.613 -23.927 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.509 -6.711 -24.120 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -2.940 -5.939 -25.358 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.941 -8.167 -24.219 1.00 0.00 C ATOM 0 H LEU A 74 1.446 -6.117 -23.487 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.972 -4.492 -23.575 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.523 -6.628 -24.909 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.659 -7.504 -23.397 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.997 -6.267 -23.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.020 -6.020 -25.480 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.665 -4.890 -25.247 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.444 -6.353 -26.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.021 -8.218 -24.356 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.445 -8.637 -25.068 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.667 -8.691 -23.303 1.00 0.00 H new ATOM 1288 N ASP A 75 -0.509 -4.474 -20.921 1.00 0.00 N ATOM 1289 CA ASP A 75 -0.804 -4.458 -19.493 1.00 0.00 C ATOM 1290 C ASP A 75 -1.245 -3.068 -19.045 1.00 0.00 C ATOM 1291 O ASP A 75 -0.846 -2.590 -17.983 1.00 0.00 O ATOM 1292 CB ASP A 75 0.422 -4.900 -18.693 1.00 0.00 C ATOM 1293 CG ASP A 75 0.060 -5.400 -17.308 1.00 0.00 C ATOM 1294 OD1 ASP A 75 -0.160 -4.559 -16.412 1.00 0.00 O ATOM 1295 OD2 ASP A 75 -0.001 -6.634 -17.120 1.00 0.00 O ATOM 0 H ASP A 75 -0.021 -3.645 -21.260 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.620 -5.156 -19.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.942 -5.689 -19.237 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.115 -4.064 -18.604 1.00 0.00 H new ATOM 1300 N LYS A 76 -2.070 -2.423 -19.863 1.00 0.00 N ATOM 1301 CA LYS A 76 -2.567 -1.088 -19.552 1.00 0.00 C ATOM 1302 C LYS A 76 -3.175 -1.045 -18.153 1.00 0.00 C ATOM 1303 O LYS A 76 -3.399 -2.084 -17.533 1.00 0.00 O ATOM 1304 CB LYS A 76 -3.610 -0.656 -20.585 1.00 0.00 C ATOM 1305 CG LYS A 76 -4.951 -1.350 -20.423 1.00 0.00 C ATOM 1306 CD LYS A 76 -5.890 -1.025 -21.573 1.00 0.00 C ATOM 1307 CE LYS A 76 -7.200 -1.790 -21.456 1.00 0.00 C ATOM 1308 NZ LYS A 76 -8.090 -1.546 -22.625 1.00 0.00 N ATOM 0 H LYS A 76 -2.409 -2.803 -20.747 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.724 -0.398 -19.584 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.757 0.422 -20.512 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.224 -0.858 -21.584 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.800 -2.428 -20.369 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.408 -1.045 -19.482 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.093 0.046 -21.587 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.407 -1.271 -22.519 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.992 -2.857 -21.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.713 -1.494 -20.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.593 -2.423 -22.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.780 -0.805 -22.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.519 -1.239 -23.438 1.00 0.00 H new ATOM 1322 N GLU A 77 -3.439 0.163 -17.664 1.00 0.00 N ATOM 1323 CA GLU A 77 -4.021 0.339 -16.339 1.00 0.00 C ATOM 1324 C GLU A 77 -5.278 -0.513 -16.179 1.00 0.00 C ATOM 1325 O GLU A 77 -6.119 -0.571 -17.075 1.00 0.00 O ATOM 1326 CB GLU A 77 -4.355 1.812 -16.096 1.00 0.00 C ATOM 1327 CG GLU A 77 -5.563 2.299 -16.879 1.00 0.00 C ATOM 1328 CD GLU A 77 -5.457 3.762 -17.263 1.00 0.00 C ATOM 1329 OE1 GLU A 77 -4.979 4.562 -16.432 1.00 0.00 O ATOM 1330 OE2 GLU A 77 -5.852 4.107 -18.397 1.00 0.00 O ATOM 0 H GLU A 77 -3.259 1.033 -18.165 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.287 0.014 -15.602 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.537 1.964 -15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.491 2.421 -16.362 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.673 1.697 -17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.463 2.148 -16.283 1.00 0.00 H new ATOM 1337 N VAL A 78 -5.397 -1.172 -15.031 1.00 0.00 N ATOM 1338 CA VAL A 78 -6.550 -2.019 -14.752 1.00 0.00 C ATOM 1339 C VAL A 78 -7.115 -1.739 -13.364 1.00 0.00 C ATOM 1340 O VAL A 78 -6.402 -1.276 -12.473 1.00 0.00 O ATOM 1341 CB VAL A 78 -6.186 -3.513 -14.854 1.00 0.00 C ATOM 1342 CG1 VAL A 78 -5.962 -3.910 -16.305 1.00 0.00 C ATOM 1343 CG2 VAL A 78 -4.956 -3.820 -14.013 1.00 0.00 C ATOM 0 H VAL A 78 -4.709 -1.135 -14.279 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.305 -1.784 -15.502 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.019 -4.099 -14.466 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.706 -4.968 -16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.872 -3.728 -16.877 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.147 -3.318 -16.722 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.713 -4.879 -14.097 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.114 -3.226 -14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.158 -3.575 -12.970 1.00 0.00 H new ATOM 1353 N LEU A 79 -8.401 -2.022 -13.187 1.00 0.00 N ATOM 1354 CA LEU A 79 -9.064 -1.801 -11.907 1.00 0.00 C ATOM 1355 C LEU A 79 -8.921 -3.021 -11.002 1.00 0.00 C ATOM 1356 O LEU A 79 -9.750 -3.931 -11.034 1.00 0.00 O ATOM 1357 CB LEU A 79 -10.544 -1.484 -12.124 1.00 0.00 C ATOM 1358 CG LEU A 79 -10.858 -0.101 -12.694 1.00 0.00 C ATOM 1359 CD1 LEU A 79 -12.359 0.084 -12.853 1.00 0.00 C ATOM 1360 CD2 LEU A 79 -10.277 0.987 -11.803 1.00 0.00 C ATOM 0 H LEU A 79 -9.005 -2.405 -13.914 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.585 -0.952 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.961 -2.235 -12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.061 -1.587 -11.170 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.397 -0.022 -13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.562 1.074 -13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.749 -0.674 -13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.843 -0.015 -11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.510 1.965 -12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.709 0.909 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.195 0.867 -11.741 1.00 0.00 H new ATOM 1372 N TYR A 80 -7.866 -3.032 -10.195 1.00 0.00 N ATOM 1373 CA TYR A 80 -7.614 -4.139 -9.281 1.00 0.00 C ATOM 1374 C TYR A 80 -7.827 -3.710 -7.833 1.00 0.00 C ATOM 1375 O TYR A 80 -6.896 -3.316 -7.131 1.00 0.00 O ATOM 1376 CB TYR A 80 -6.189 -4.665 -9.464 1.00 0.00 C ATOM 1377 CG TYR A 80 -6.091 -5.825 -10.429 1.00 0.00 C ATOM 1378 CD1 TYR A 80 -6.375 -5.658 -11.778 1.00 0.00 C ATOM 1379 CD2 TYR A 80 -5.716 -7.089 -9.990 1.00 0.00 C ATOM 1380 CE1 TYR A 80 -6.287 -6.715 -12.663 1.00 0.00 C ATOM 1381 CE2 TYR A 80 -5.624 -8.152 -10.868 1.00 0.00 C ATOM 1382 CZ TYR A 80 -5.911 -7.960 -12.204 1.00 0.00 C ATOM 1383 OH TYR A 80 -5.822 -9.016 -13.081 1.00 0.00 O ATOM 0 H TYR A 80 -7.171 -2.286 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.321 -4.935 -9.513 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.554 -3.853 -9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.798 -4.975 -8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.670 -4.685 -12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.493 -7.243 -8.945 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.511 -6.567 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.329 -9.128 -10.511 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.564 -8.974 -13.720 1.00 0.00 H new ATOM 1393 N PRO A 81 -9.085 -3.788 -7.373 1.00 0.00 N ATOM 1394 CA PRO A 81 -9.452 -3.414 -6.004 1.00 0.00 C ATOM 1395 C PRO A 81 -8.909 -4.393 -4.970 1.00 0.00 C ATOM 1396 O PRO A 81 -9.597 -5.330 -4.565 1.00 0.00 O ATOM 1397 CB PRO A 81 -10.982 -3.451 -6.024 1.00 0.00 C ATOM 1398 CG PRO A 81 -11.323 -4.405 -7.117 1.00 0.00 C ATOM 1399 CD PRO A 81 -10.245 -4.249 -8.154 1.00 0.00 C ATOM 0 HA PRO A 81 -9.039 -2.445 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.383 -3.786 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.400 -2.463 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.361 -5.429 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.304 -4.183 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.038 -5.190 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.526 -3.527 -8.920 1.00 0.00 H new ATOM 1407 N LYS A 82 -7.670 -4.171 -4.544 1.00 0.00 N ATOM 1408 CA LYS A 82 -7.034 -5.032 -3.555 1.00 0.00 C ATOM 1409 C LYS A 82 -5.732 -4.416 -3.053 1.00 0.00 C ATOM 1410 O LYS A 82 -4.732 -4.381 -3.771 1.00 0.00 O ATOM 1411 CB LYS A 82 -6.758 -6.414 -4.153 1.00 0.00 C ATOM 1412 CG LYS A 82 -7.312 -7.558 -3.322 1.00 0.00 C ATOM 1413 CD LYS A 82 -6.204 -8.324 -2.619 1.00 0.00 C ATOM 1414 CE LYS A 82 -5.715 -9.494 -3.459 1.00 0.00 C ATOM 1415 NZ LYS A 82 -6.545 -10.712 -3.250 1.00 0.00 N ATOM 0 H LYS A 82 -7.086 -3.401 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.715 -5.137 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.189 -6.461 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.681 -6.544 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.011 -7.167 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.874 -8.236 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.372 -7.652 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.567 -8.691 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.735 -9.218 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.678 -9.714 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.179 -11.487 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.506 -10.991 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.530 -10.510 -3.515 1.00 0.00 H new ATOM 1429 N LEU A 83 -5.751 -3.931 -1.816 1.00 0.00 N ATOM 1430 CA LEU A 83 -4.571 -3.316 -1.217 1.00 0.00 C ATOM 1431 C LEU A 83 -3.363 -4.242 -1.321 1.00 0.00 C ATOM 1432 O LEU A 83 -3.508 -5.451 -1.503 1.00 0.00 O ATOM 1433 CB LEU A 83 -4.840 -2.971 0.248 1.00 0.00 C ATOM 1434 CG LEU A 83 -5.497 -1.615 0.509 1.00 0.00 C ATOM 1435 CD1 LEU A 83 -7.011 -1.728 0.416 1.00 0.00 C ATOM 1436 CD2 LEU A 83 -5.084 -1.076 1.871 1.00 0.00 C ATOM 0 H LEU A 83 -6.570 -3.952 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.351 -2.400 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.476 -3.748 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.894 -3.003 0.788 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.158 -0.916 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.461 -0.753 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.290 -2.070 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.369 -2.442 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.561 -0.110 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.394 -1.775 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.001 -0.956 1.902 1.00 0.00 H new ATOM 1448 N LYS A 84 -2.172 -3.667 -1.201 1.00 0.00 N ATOM 1449 CA LYS A 84 -0.938 -4.439 -1.277 1.00 0.00 C ATOM 1450 C LYS A 84 0.193 -3.734 -0.534 1.00 0.00 C ATOM 1451 O LYS A 84 0.311 -2.510 -0.583 1.00 0.00 O ATOM 1452 CB LYS A 84 -0.540 -4.662 -2.738 1.00 0.00 C ATOM 1453 CG LYS A 84 0.551 -5.702 -2.920 1.00 0.00 C ATOM 1454 CD LYS A 84 1.377 -5.432 -4.166 1.00 0.00 C ATOM 1455 CE LYS A 84 2.564 -4.531 -3.864 1.00 0.00 C ATOM 1456 NZ LYS A 84 3.618 -4.632 -4.911 1.00 0.00 N ATOM 0 H LYS A 84 -2.035 -2.668 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.114 -5.404 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.420 -4.969 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.203 -3.716 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.201 -5.705 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.102 -6.693 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.732 -6.376 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.749 -4.966 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.225 -3.498 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.987 -4.800 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.410 -4.003 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.960 -5.613 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.222 -4.351 -5.831 1.00 0.00 H new ATOM 1470 N ALA A 85 1.021 -4.514 0.152 1.00 0.00 N ATOM 1471 CA ALA A 85 2.144 -3.964 0.902 1.00 0.00 C ATOM 1472 C ALA A 85 3.394 -3.877 0.033 1.00 0.00 C ATOM 1473 O ALA A 85 3.729 -4.817 -0.688 1.00 0.00 O ATOM 1474 CB ALA A 85 2.416 -4.807 2.139 1.00 0.00 C ATOM 0 H ALA A 85 0.936 -5.529 0.204 1.00 0.00 H new ATOM 0 HA ALA A 85 1.880 -2.954 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.257 -4.385 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.532 -4.814 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.655 -5.827 1.839 1.00 0.00 H new ATOM 1480 N THR A 86 4.081 -2.741 0.105 1.00 0.00 N ATOM 1481 CA THR A 86 5.294 -2.531 -0.676 1.00 0.00 C ATOM 1482 C THR A 86 6.504 -3.153 0.010 1.00 0.00 C ATOM 1483 O THR A 86 6.493 -3.387 1.219 1.00 0.00 O ATOM 1484 CB THR A 86 5.562 -1.031 -0.904 1.00 0.00 C ATOM 1485 OG1 THR A 86 5.465 -0.322 0.337 1.00 0.00 O ATOM 1486 CG2 THR A 86 4.573 -0.451 -1.904 1.00 0.00 C ATOM 0 H THR A 86 3.818 -1.952 0.696 1.00 0.00 H new ATOM 0 HA THR A 86 5.138 -3.016 -1.640 1.00 0.00 H new ATOM 0 HB THR A 86 6.569 -0.921 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.638 0.630 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.782 0.609 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.669 -0.973 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.558 -0.572 -1.525 1.00 0.00 H new ATOM 1494 N ASP A 87 7.548 -3.418 -0.768 1.00 0.00 N ATOM 1495 CA ASP A 87 8.768 -4.012 -0.234 1.00 0.00 C ATOM 1496 C ASP A 87 9.993 -3.203 -0.651 1.00 0.00 C ATOM 1497 O ASP A 87 9.994 -2.555 -1.697 1.00 0.00 O ATOM 1498 CB ASP A 87 8.909 -5.457 -0.713 1.00 0.00 C ATOM 1499 CG ASP A 87 10.143 -6.136 -0.152 1.00 0.00 C ATOM 1500 OD1 ASP A 87 10.082 -6.624 0.996 1.00 0.00 O ATOM 1501 OD2 ASP A 87 11.170 -6.179 -0.861 1.00 0.00 O ATOM 0 H ASP A 87 7.574 -3.231 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 87 8.701 -4.003 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.023 -6.021 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.953 -5.473 -1.802 1.00 0.00 H new ATOM 1506 N GLU A 88 11.033 -3.246 0.176 1.00 0.00 N ATOM 1507 CA GLU A 88 12.263 -2.515 -0.107 1.00 0.00 C ATOM 1508 C GLU A 88 13.437 -3.474 -0.285 1.00 0.00 C ATOM 1509 O GLU A 88 13.268 -4.693 -0.244 1.00 0.00 O ATOM 1510 CB GLU A 88 12.565 -1.525 1.021 1.00 0.00 C ATOM 1511 CG GLU A 88 12.925 -2.194 2.337 1.00 0.00 C ATOM 1512 CD GLU A 88 14.407 -2.491 2.455 1.00 0.00 C ATOM 1513 OE1 GLU A 88 15.184 -1.544 2.696 1.00 0.00 O ATOM 1514 OE2 GLU A 88 14.790 -3.670 2.305 1.00 0.00 O ATOM 0 H GLU A 88 11.049 -3.778 1.046 1.00 0.00 H new ATOM 0 HA GLU A 88 12.122 -1.964 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.387 -0.878 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.696 -0.885 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.621 -1.551 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.363 -3.123 2.433 1.00 0.00 H new ATOM 1521 N ASP A 89 14.625 -2.914 -0.483 1.00 0.00 N ATOM 1522 CA ASP A 89 15.828 -3.718 -0.667 1.00 0.00 C ATOM 1523 C ASP A 89 16.971 -3.191 0.195 1.00 0.00 C ATOM 1524 O ASP A 89 16.983 -2.021 0.579 1.00 0.00 O ATOM 1525 CB ASP A 89 16.243 -3.724 -2.139 1.00 0.00 C ATOM 1526 CG ASP A 89 16.207 -2.340 -2.756 1.00 0.00 C ATOM 1527 OD1 ASP A 89 16.495 -1.362 -2.035 1.00 0.00 O ATOM 1528 OD2 ASP A 89 15.889 -2.234 -3.959 1.00 0.00 O ATOM 0 H ASP A 89 14.781 -1.907 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 89 15.604 -4.739 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.250 -4.132 -2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 89 15.580 -4.385 -2.698 1.00 0.00 H new TER 1533 ASP A 89