USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 777 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 40 GLN : amide:sc= 0.871 K(o=-0.082,f=-1.3) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.993 K(o=-0.082,f=-1.3) USER MOD Set 1.3: A 82 GLN : amide:sc= -1.95 K(o=-0.082,f=-2.8!) USER MOD Set 2.1: A 68 GLN : amide:sc= 0.179 K(o=-0.75,f=-2.3) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.931 K(o=-0.75,f=0.49) USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.792 USER MOD Single : A 19 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.26) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.665 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.605 K(o=-0.61,f=0.03) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.00018) USER MOD Single : A 49 CYS SG : rot -103:sc= 0.91 USER MOD Single : A 62 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.0047) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.725 K(o=-0.73,f=-0.077) USER MOD Single : A 78 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.011) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -76:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.962 2.453 -23.629 1.00 0.00 N ATOM 2 CA MET A 1 -1.696 3.181 -22.562 1.00 0.00 C ATOM 3 C MET A 1 -2.635 2.246 -21.805 1.00 0.00 C ATOM 4 O MET A 1 -3.629 1.771 -22.354 1.00 0.00 O ATOM 5 CB MET A 1 -2.487 4.322 -23.207 1.00 0.00 C ATOM 6 CG MET A 1 -2.079 5.700 -22.711 1.00 0.00 C ATOM 7 SD MET A 1 -3.120 6.288 -21.362 1.00 0.00 S ATOM 8 CE MET A 1 -2.268 7.796 -20.909 1.00 0.00 C ATOM 0 H1 MET A 1 -0.331 3.112 -24.128 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.399 1.689 -23.204 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.642 2.047 -24.303 1.00 0.00 H new ATOM 0 HA MET A 1 -0.982 3.581 -21.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.354 4.280 -24.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.549 4.174 -23.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.042 5.670 -22.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.127 6.409 -23.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.793 8.277 -20.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.249 7.560 -20.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.242 8.470 -21.765 1.00 0.00 H new ATOM 17 N LYS A 2 -2.312 1.987 -20.542 1.00 0.00 N ATOM 18 CA LYS A 2 -3.128 1.109 -19.710 1.00 0.00 C ATOM 19 C LYS A 2 -2.967 1.452 -18.233 1.00 0.00 C ATOM 20 O LYS A 2 -3.075 0.582 -17.368 1.00 0.00 O ATOM 21 CB LYS A 2 -2.747 -0.353 -19.951 1.00 0.00 C ATOM 22 CG LYS A 2 -3.275 -0.912 -21.261 1.00 0.00 C ATOM 23 CD LYS A 2 -2.949 -2.389 -21.409 1.00 0.00 C ATOM 24 CE LYS A 2 -3.417 -2.931 -22.750 1.00 0.00 C ATOM 25 NZ LYS A 2 -4.737 -3.612 -22.645 1.00 0.00 N ATOM 0 H LYS A 2 -1.492 2.372 -20.073 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.172 1.256 -19.985 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.661 -0.443 -19.939 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.126 -0.959 -19.128 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.355 -0.770 -21.309 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.843 -0.358 -22.094 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.874 -2.537 -21.311 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.423 -2.950 -20.603 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.487 -2.113 -23.467 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.677 -3.632 -23.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.020 -3.967 -23.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.665 -4.408 -21.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.449 -2.937 -22.301 1.00 0.00 H new ATOM 39 N THR A 3 -2.709 2.725 -17.951 1.00 0.00 N ATOM 40 CA THR A 3 -2.534 3.183 -16.577 1.00 0.00 C ATOM 41 C THR A 3 -3.880 3.329 -15.874 1.00 0.00 C ATOM 42 O THR A 3 -3.965 3.233 -14.649 1.00 0.00 O ATOM 43 CB THR A 3 -1.787 4.517 -16.555 1.00 0.00 C ATOM 44 OG1 THR A 3 -1.603 4.966 -15.224 1.00 0.00 O ATOM 45 CG2 THR A 3 -2.500 5.615 -17.314 1.00 0.00 C ATOM 0 H THR A 3 -2.617 3.457 -18.655 1.00 0.00 H new ATOM 0 HA THR A 3 -1.947 2.435 -16.044 1.00 0.00 H new ATOM 0 HB THR A 3 -0.832 4.321 -17.042 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.122 5.820 -15.230 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.916 6.534 -17.258 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.615 5.321 -18.357 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.483 5.782 -16.874 1.00 0.00 H new ATOM 53 N ALA A 4 -4.931 3.564 -16.655 1.00 0.00 N ATOM 54 CA ALA A 4 -6.273 3.726 -16.106 1.00 0.00 C ATOM 55 C ALA A 4 -6.670 2.528 -15.249 1.00 0.00 C ATOM 56 O ALA A 4 -7.006 2.677 -14.074 1.00 0.00 O ATOM 57 CB ALA A 4 -7.279 3.929 -17.230 1.00 0.00 C ATOM 0 H ALA A 4 -4.879 3.646 -17.670 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.271 4.609 -15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.277 4.049 -16.808 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.015 4.822 -17.797 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.266 3.062 -17.891 1.00 0.00 H new ATOM 63 N LEU A 5 -6.629 1.340 -15.845 1.00 0.00 N ATOM 64 CA LEU A 5 -6.984 0.117 -15.135 1.00 0.00 C ATOM 65 C LEU A 5 -6.050 -0.117 -13.952 1.00 0.00 C ATOM 66 O LEU A 5 -6.451 -0.682 -12.934 1.00 0.00 O ATOM 67 CB LEU A 5 -6.934 -1.082 -16.083 1.00 0.00 C ATOM 68 CG LEU A 5 -5.562 -1.358 -16.705 1.00 0.00 C ATOM 69 CD1 LEU A 5 -5.178 -2.820 -16.530 1.00 0.00 C ATOM 70 CD2 LEU A 5 -5.556 -0.976 -18.178 1.00 0.00 C ATOM 0 H LEU A 5 -6.354 1.199 -16.817 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.000 0.230 -14.756 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.255 -1.970 -15.539 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.654 -0.922 -16.885 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.823 -0.746 -16.188 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.200 -2.996 -16.979 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.138 -3.061 -15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.920 -3.452 -17.018 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.573 -1.179 -18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.308 -1.560 -18.708 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.783 0.085 -18.280 1.00 0.00 H new ATOM 82 N LEU A 6 -4.803 0.319 -14.094 1.00 0.00 N ATOM 83 CA LEU A 6 -3.811 0.156 -13.038 1.00 0.00 C ATOM 84 C LEU A 6 -4.195 0.964 -11.802 1.00 0.00 C ATOM 85 O LEU A 6 -4.223 0.438 -10.689 1.00 0.00 O ATOM 86 CB LEU A 6 -2.430 0.586 -13.537 1.00 0.00 C ATOM 87 CG LEU A 6 -1.577 -0.537 -14.131 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.717 -0.011 -15.269 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.711 -1.171 -13.053 1.00 0.00 C ATOM 0 H LEU A 6 -4.455 0.788 -14.930 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.777 -0.898 -12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.559 1.362 -14.292 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.885 1.036 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.243 -1.301 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.118 -0.824 -15.678 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.358 0.397 -16.051 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.058 0.772 -14.895 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.110 -1.968 -13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.054 -0.415 -12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.348 -1.585 -12.271 1.00 0.00 H new ATOM 101 N LEU A 7 -4.489 2.244 -12.005 1.00 0.00 N ATOM 102 CA LEU A 7 -4.870 3.124 -10.907 1.00 0.00 C ATOM 103 C LEU A 7 -6.284 2.813 -10.425 1.00 0.00 C ATOM 104 O LEU A 7 -6.585 2.928 -9.237 1.00 0.00 O ATOM 105 CB LEU A 7 -4.772 4.589 -11.344 1.00 0.00 C ATOM 106 CG LEU A 7 -3.638 5.383 -10.696 1.00 0.00 C ATOM 107 CD1 LEU A 7 -2.287 4.824 -11.115 1.00 0.00 C ATOM 108 CD2 LEU A 7 -3.744 6.856 -11.061 1.00 0.00 C ATOM 0 H LEU A 7 -4.471 2.695 -12.920 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.181 2.954 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.646 4.622 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.717 5.084 -11.118 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.726 5.289 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.492 5.402 -10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.212 3.782 -10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.188 4.887 -12.199 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.929 7.407 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.681 6.968 -12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.698 7.250 -10.710 1.00 0.00 H new ATOM 120 N GLU A 8 -7.148 2.420 -11.356 1.00 0.00 N ATOM 121 CA GLU A 8 -8.530 2.093 -11.025 1.00 0.00 C ATOM 122 C GLU A 8 -8.597 0.880 -10.102 1.00 0.00 C ATOM 123 O GLU A 8 -9.362 0.863 -9.138 1.00 0.00 O ATOM 124 CB GLU A 8 -9.331 1.822 -12.300 1.00 0.00 C ATOM 125 CG GLU A 8 -9.947 3.072 -12.908 1.00 0.00 C ATOM 126 CD GLU A 8 -10.972 2.753 -13.980 1.00 0.00 C ATOM 127 OE1 GLU A 8 -10.568 2.296 -15.070 1.00 0.00 O ATOM 128 OE2 GLU A 8 -12.177 2.961 -13.728 1.00 0.00 O ATOM 0 H GLU A 8 -6.916 2.320 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.964 2.947 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.678 1.353 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.124 1.108 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.420 3.659 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.158 3.690 -13.337 1.00 0.00 H new ATOM 135 N LYS A 9 -7.791 -0.132 -10.405 1.00 0.00 N ATOM 136 CA LYS A 9 -7.759 -1.349 -9.602 1.00 0.00 C ATOM 137 C LYS A 9 -7.101 -1.093 -8.250 1.00 0.00 C ATOM 138 O LYS A 9 -7.554 -1.597 -7.222 1.00 0.00 O ATOM 139 CB LYS A 9 -7.010 -2.456 -10.347 1.00 0.00 C ATOM 140 CG LYS A 9 -7.616 -3.837 -10.155 1.00 0.00 C ATOM 141 CD LYS A 9 -7.486 -4.682 -11.412 1.00 0.00 C ATOM 142 CE LYS A 9 -8.534 -5.782 -11.456 1.00 0.00 C ATOM 143 NZ LYS A 9 -9.118 -5.938 -12.817 1.00 0.00 N ATOM 0 H LYS A 9 -7.152 -0.134 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.787 -1.668 -9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.994 -2.220 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.974 -2.473 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.121 -4.340 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.668 -3.740 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.588 -4.046 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.491 -5.125 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.084 -6.725 -11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.328 -5.556 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.828 -6.698 -12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.569 -5.047 -13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.365 -6.179 -13.492 1.00 0.00 H new ATOM 157 N LEU A 10 -6.030 -0.306 -8.259 1.00 0.00 N ATOM 158 CA LEU A 10 -5.309 0.018 -7.033 1.00 0.00 C ATOM 159 C LEU A 10 -6.155 0.901 -6.121 1.00 0.00 C ATOM 160 O LEU A 10 -6.191 0.701 -4.907 1.00 0.00 O ATOM 161 CB LEU A 10 -3.991 0.722 -7.364 1.00 0.00 C ATOM 162 CG LEU A 10 -2.850 0.456 -6.380 1.00 0.00 C ATOM 163 CD1 LEU A 10 -1.505 0.675 -7.053 1.00 0.00 C ATOM 164 CD2 LEU A 10 -2.987 1.347 -5.154 1.00 0.00 C ATOM 0 H LEU A 10 -5.642 0.119 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.095 -0.914 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.672 0.413 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.171 1.796 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.907 -0.584 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.705 0.481 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.407 -0.004 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.437 1.705 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.168 1.145 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.955 2.393 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.936 1.142 -4.659 1.00 0.00 H new ATOM 176 N GLU A 11 -6.833 1.878 -6.715 1.00 0.00 N ATOM 177 CA GLU A 11 -7.678 2.793 -5.956 1.00 0.00 C ATOM 178 C GLU A 11 -8.877 2.063 -5.361 1.00 0.00 C ATOM 179 O GLU A 11 -9.302 2.354 -4.243 1.00 0.00 O ATOM 180 CB GLU A 11 -8.156 3.937 -6.851 1.00 0.00 C ATOM 181 CG GLU A 11 -8.698 5.129 -6.079 1.00 0.00 C ATOM 182 CD GLU A 11 -9.174 6.245 -6.988 1.00 0.00 C ATOM 183 OE1 GLU A 11 -8.554 6.450 -8.052 1.00 0.00 O ATOM 184 OE2 GLU A 11 -10.169 6.914 -6.636 1.00 0.00 O ATOM 0 H GLU A 11 -6.814 2.056 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.084 3.202 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.328 4.267 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.932 3.564 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.524 4.803 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.922 5.511 -5.416 1.00 0.00 H new ATOM 191 N GLY A 12 -9.420 1.113 -6.115 1.00 0.00 N ATOM 192 CA GLY A 12 -10.566 0.357 -5.644 1.00 0.00 C ATOM 193 C GLY A 12 -10.233 -0.520 -4.453 1.00 0.00 C ATOM 194 O GLY A 12 -10.939 -0.503 -3.444 1.00 0.00 O ATOM 0 H GLY A 12 -9.087 0.853 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.365 1.047 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.945 -0.265 -6.455 1.00 0.00 H new ATOM 198 N GLN A 13 -9.156 -1.289 -4.570 1.00 0.00 N ATOM 199 CA GLN A 13 -8.731 -2.179 -3.496 1.00 0.00 C ATOM 200 C GLN A 13 -8.194 -1.385 -2.308 1.00 0.00 C ATOM 201 O GLN A 13 -8.440 -1.734 -1.154 1.00 0.00 O ATOM 202 CB GLN A 13 -7.663 -3.151 -4.004 1.00 0.00 C ATOM 203 CG GLN A 13 -7.974 -4.607 -3.702 1.00 0.00 C ATOM 204 CD GLN A 13 -8.936 -5.217 -4.703 1.00 0.00 C ATOM 205 OE1 GLN A 13 -10.132 -4.923 -4.690 1.00 0.00 O ATOM 206 NE2 GLN A 13 -8.418 -6.073 -5.576 1.00 0.00 N ATOM 0 H GLN A 13 -8.561 -1.314 -5.398 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.600 -2.747 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.554 -3.027 -5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.704 -2.892 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.047 -5.180 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.399 -4.684 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.421 -6.287 -5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.017 -6.516 -6.272 1.00 0.00 H new ATOM 215 N LEU A 14 -7.458 -0.317 -2.599 1.00 0.00 N ATOM 216 CA LEU A 14 -6.886 0.524 -1.554 1.00 0.00 C ATOM 217 C LEU A 14 -7.977 1.282 -0.803 1.00 0.00 C ATOM 218 O LEU A 14 -7.834 1.581 0.383 1.00 0.00 O ATOM 219 CB LEU A 14 -5.885 1.513 -2.155 1.00 0.00 C ATOM 220 CG LEU A 14 -4.968 2.200 -1.141 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.591 2.437 -1.742 1.00 0.00 C ATOM 222 CD2 LEU A 14 -5.580 3.511 -0.672 1.00 0.00 C ATOM 0 H LEU A 14 -7.244 -0.014 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.368 -0.124 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.267 0.985 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.436 2.279 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.857 1.544 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.952 2.926 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.150 1.482 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.683 3.072 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.914 3.986 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.721 4.173 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.544 3.315 -0.202 1.00 0.00 H new ATOM 234 N ALA A 15 -9.064 1.591 -1.500 1.00 0.00 N ATOM 235 CA ALA A 15 -10.177 2.316 -0.898 1.00 0.00 C ATOM 236 C ALA A 15 -10.945 1.434 0.081 1.00 0.00 C ATOM 237 O ALA A 15 -11.167 1.814 1.230 1.00 0.00 O ATOM 238 CB ALA A 15 -11.109 2.843 -1.978 1.00 0.00 C ATOM 0 H ALA A 15 -9.199 1.351 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.768 3.159 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.935 3.382 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.560 3.517 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.501 2.008 -2.559 1.00 0.00 H new ATOM 244 N THR A 16 -11.350 0.256 -0.383 1.00 0.00 N ATOM 245 CA THR A 16 -12.096 -0.677 0.453 1.00 0.00 C ATOM 246 C THR A 16 -11.268 -1.118 1.656 1.00 0.00 C ATOM 247 O THR A 16 -11.800 -1.313 2.749 1.00 0.00 O ATOM 248 CB THR A 16 -12.519 -1.899 -0.364 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.680 -1.558 -1.730 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.817 -2.516 0.111 1.00 0.00 C ATOM 0 H THR A 16 -11.174 -0.074 -1.332 1.00 0.00 H new ATOM 0 HA THR A 16 -12.986 -0.164 0.818 1.00 0.00 H new ATOM 0 HB THR A 16 -11.719 -2.627 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.807 -1.572 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.059 -3.378 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.710 -2.835 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.618 -1.780 0.039 1.00 0.00 H new ATOM 258 N LEU A 17 -9.965 -1.274 1.448 1.00 0.00 N ATOM 259 CA LEU A 17 -9.066 -1.693 2.518 1.00 0.00 C ATOM 260 C LEU A 17 -8.919 -0.598 3.569 1.00 0.00 C ATOM 261 O LEU A 17 -8.924 -0.871 4.769 1.00 0.00 O ATOM 262 CB LEU A 17 -7.693 -2.055 1.948 1.00 0.00 C ATOM 263 CG LEU A 17 -6.967 -3.187 2.678 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.114 -3.987 1.706 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.113 -2.630 3.807 1.00 0.00 C ATOM 0 H LEU A 17 -9.508 -1.117 0.550 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.498 -2.573 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.813 -2.336 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.062 -1.166 1.969 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.713 -3.855 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.605 -4.788 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.750 -4.416 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.375 -3.331 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.604 -3.448 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.374 -1.941 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.749 -2.101 4.517 1.00 0.00 H new ATOM 277 N ARG A 18 -8.784 0.641 3.111 1.00 0.00 N ATOM 278 CA ARG A 18 -8.632 1.778 4.012 1.00 0.00 C ATOM 279 C ARG A 18 -9.919 2.044 4.789 1.00 0.00 C ATOM 280 O ARG A 18 -9.887 2.605 5.884 1.00 0.00 O ATOM 281 CB ARG A 18 -8.234 3.027 3.224 1.00 0.00 C ATOM 282 CG ARG A 18 -7.298 3.953 3.983 1.00 0.00 C ATOM 283 CD ARG A 18 -7.059 5.247 3.221 1.00 0.00 C ATOM 284 NE ARG A 18 -6.914 6.392 4.117 1.00 0.00 N ATOM 285 CZ ARG A 18 -7.043 7.658 3.728 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.320 7.945 2.462 1.00 0.00 N ATOM 287 NH2 ARG A 18 -6.894 8.640 4.607 1.00 0.00 N ATOM 0 H ARG A 18 -8.777 0.884 2.120 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.845 1.536 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.754 2.722 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.135 3.577 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.721 4.178 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.347 3.450 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.161 5.148 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.890 5.424 2.538 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.701 6.210 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.435 7.193 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.418 8.917 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.681 8.425 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.993 9.610 4.309 1.00 0.00 H new ATOM 301 N GLN A 19 -11.049 1.644 4.216 1.00 0.00 N ATOM 302 CA GLN A 19 -12.344 1.846 4.857 1.00 0.00 C ATOM 303 C GLN A 19 -12.588 0.806 5.947 1.00 0.00 C ATOM 304 O GLN A 19 -13.077 1.131 7.029 1.00 0.00 O ATOM 305 CB GLN A 19 -13.465 1.785 3.816 1.00 0.00 C ATOM 306 CG GLN A 19 -13.903 3.151 3.314 1.00 0.00 C ATOM 307 CD GLN A 19 -14.991 3.766 4.172 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.990 3.119 4.486 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.803 5.023 4.555 1.00 0.00 N ATOM 0 H GLN A 19 -11.095 1.178 3.310 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.339 2.832 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.131 1.186 2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.325 1.273 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.042 3.819 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.262 3.059 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.960 5.522 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.502 5.490 5.133 1.00 0.00 H new ATOM 318 N ARG A 20 -12.251 -0.445 5.653 1.00 0.00 N ATOM 319 CA ARG A 20 -12.441 -1.532 6.608 1.00 0.00 C ATOM 320 C ARG A 20 -11.306 -1.577 7.627 1.00 0.00 C ATOM 321 O ARG A 20 -11.537 -1.781 8.819 1.00 0.00 O ATOM 322 CB ARG A 20 -12.534 -2.871 5.874 1.00 0.00 C ATOM 323 CG ARG A 20 -13.628 -2.912 4.819 1.00 0.00 C ATOM 324 CD ARG A 20 -13.742 -4.289 4.187 1.00 0.00 C ATOM 325 NE ARG A 20 -14.395 -4.240 2.882 1.00 0.00 N ATOM 326 CZ ARG A 20 -15.699 -4.033 2.713 1.00 0.00 C ATOM 327 NH1 ARG A 20 -16.491 -3.852 3.763 1.00 0.00 N ATOM 328 NH2 ARG A 20 -16.213 -4.006 1.491 1.00 0.00 N ATOM 0 H ARG A 20 -11.845 -0.732 4.762 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.373 -1.349 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.576 -3.083 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.712 -3.663 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.581 -2.638 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.418 -2.172 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.747 -4.721 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.305 -4.946 4.850 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.818 -4.372 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.101 -3.871 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.489 -3.694 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.609 -4.144 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.212 -3.847 1.361 1.00 0.00 H new ATOM 342 N CYS A 21 -10.080 -1.390 7.150 1.00 0.00 N ATOM 343 CA CYS A 21 -8.909 -1.415 8.021 1.00 0.00 C ATOM 344 C CYS A 21 -8.569 -0.019 8.543 1.00 0.00 C ATOM 345 O CYS A 21 -7.482 0.202 9.077 1.00 0.00 O ATOM 346 CB CYS A 21 -7.707 -1.998 7.276 1.00 0.00 C ATOM 347 SG CYS A 21 -7.940 -3.703 6.721 1.00 0.00 S ATOM 0 H CYS A 21 -9.871 -1.220 6.166 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.146 -2.048 8.876 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.491 -1.372 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.834 -1.955 7.927 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.872 -4.107 6.100 1.00 0.00 H new ATOM 353 N ALA A 22 -9.498 0.921 8.388 1.00 0.00 N ATOM 354 CA ALA A 22 -9.280 2.287 8.849 1.00 0.00 C ATOM 355 C ALA A 22 -8.971 2.320 10.345 1.00 0.00 C ATOM 356 O ALA A 22 -7.893 2.750 10.754 1.00 0.00 O ATOM 357 CB ALA A 22 -10.493 3.152 8.534 1.00 0.00 C ATOM 0 H ALA A 22 -10.405 0.762 7.949 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.417 2.690 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.316 4.169 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.662 3.163 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.371 2.744 9.035 1.00 0.00 H new ATOM 363 N PRO A 23 -9.917 1.862 11.186 1.00 0.00 N ATOM 364 CA PRO A 23 -9.738 1.842 12.640 1.00 0.00 C ATOM 365 C PRO A 23 -8.874 0.672 13.103 1.00 0.00 C ATOM 366 O PRO A 23 -9.335 -0.200 13.840 1.00 0.00 O ATOM 367 CB PRO A 23 -11.167 1.689 13.156 1.00 0.00 C ATOM 368 CG PRO A 23 -11.864 0.913 12.093 1.00 0.00 C ATOM 369 CD PRO A 23 -11.237 1.330 10.787 1.00 0.00 C ATOM 0 HA PRO A 23 -9.225 2.731 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.190 1.164 14.111 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.638 2.659 13.314 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.749 -0.159 12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.934 1.123 12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.139 0.487 10.103 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.836 2.085 10.278 1.00 0.00 H new ATOM 377 N VAL A 24 -7.619 0.657 12.665 1.00 0.00 N ATOM 378 CA VAL A 24 -6.693 -0.409 13.036 1.00 0.00 C ATOM 379 C VAL A 24 -5.555 0.114 13.909 1.00 0.00 C ATOM 380 O VAL A 24 -4.915 -0.651 14.630 1.00 0.00 O ATOM 381 CB VAL A 24 -6.096 -1.097 11.793 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.193 -1.749 10.966 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.304 -0.104 10.954 1.00 0.00 C ATOM 0 H VAL A 24 -7.220 1.369 12.054 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.272 -1.137 13.604 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.412 -1.876 12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.753 -2.230 10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.709 -2.496 11.570 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.905 -0.990 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.892 -0.612 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.961 0.702 10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.491 0.310 11.551 1.00 0.00 H new ATOM 393 N SER A 25 -5.304 1.419 13.841 1.00 0.00 N ATOM 394 CA SER A 25 -4.239 2.037 14.627 1.00 0.00 C ATOM 395 C SER A 25 -4.355 1.669 16.105 1.00 0.00 C ATOM 396 O SER A 25 -3.362 1.667 16.832 1.00 0.00 O ATOM 397 CB SER A 25 -4.277 3.558 14.465 1.00 0.00 C ATOM 398 OG SER A 25 -4.415 3.924 13.103 1.00 0.00 O ATOM 0 H SER A 25 -5.823 2.069 13.250 1.00 0.00 H new ATOM 0 HA SER A 25 -3.287 1.658 14.256 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.107 3.967 15.040 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.363 3.993 14.871 1.00 0.00 H new ATOM 0 HG SER A 25 -4.438 4.901 13.028 1.00 0.00 H new ATOM 404 N GLN A 26 -5.571 1.359 16.543 1.00 0.00 N ATOM 405 CA GLN A 26 -5.811 0.991 17.933 1.00 0.00 C ATOM 406 C GLN A 26 -5.045 -0.275 18.305 1.00 0.00 C ATOM 407 O GLN A 26 -4.321 -0.304 19.301 1.00 0.00 O ATOM 408 CB GLN A 26 -7.308 0.784 18.177 1.00 0.00 C ATOM 409 CG GLN A 26 -8.034 2.046 18.610 1.00 0.00 C ATOM 410 CD GLN A 26 -9.436 1.767 19.117 1.00 0.00 C ATOM 411 OE1 GLN A 26 -10.167 0.960 18.543 1.00 0.00 O ATOM 412 NE2 GLN A 26 -9.817 2.434 20.200 1.00 0.00 N ATOM 0 H GLN A 26 -6.405 1.355 15.956 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.455 1.806 18.563 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.768 0.406 17.264 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.441 0.018 18.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.460 2.540 19.394 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.087 2.737 17.769 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.178 3.094 20.644 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.749 2.287 20.588 1.00 0.00 H new ATOM 421 N PHE A 27 -5.209 -1.319 17.500 1.00 0.00 N ATOM 422 CA PHE A 27 -4.533 -2.589 17.745 1.00 0.00 C ATOM 423 C PHE A 27 -3.559 -2.917 16.617 1.00 0.00 C ATOM 424 O PHE A 27 -3.259 -4.083 16.362 1.00 0.00 O ATOM 425 CB PHE A 27 -5.558 -3.715 17.892 1.00 0.00 C ATOM 426 CG PHE A 27 -4.997 -4.960 18.518 1.00 0.00 C ATOM 427 CD1 PHE A 27 -4.437 -4.922 19.785 1.00 0.00 C ATOM 428 CD2 PHE A 27 -5.031 -6.167 17.840 1.00 0.00 C ATOM 429 CE1 PHE A 27 -3.920 -6.066 20.363 1.00 0.00 C ATOM 430 CE2 PHE A 27 -4.516 -7.315 18.413 1.00 0.00 C ATOM 431 CZ PHE A 27 -3.959 -7.264 19.676 1.00 0.00 C ATOM 0 H PHE A 27 -5.804 -1.311 16.672 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.967 -2.497 18.672 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.393 -3.359 18.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.958 -3.961 16.909 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.404 -3.988 20.327 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.465 -6.212 16.852 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.486 -6.023 21.351 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.549 -8.250 17.874 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.555 -8.159 20.126 1.00 0.00 H new ATOM 441 N ALA A 28 -3.069 -1.881 15.944 1.00 0.00 N ATOM 442 CA ALA A 28 -2.131 -2.059 14.843 1.00 0.00 C ATOM 443 C ALA A 28 -0.813 -2.650 15.330 1.00 0.00 C ATOM 444 O ALA A 28 -0.163 -2.097 16.217 1.00 0.00 O ATOM 445 CB ALA A 28 -1.888 -0.733 14.139 1.00 0.00 C ATOM 0 H ALA A 28 -3.306 -0.909 16.142 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.572 -2.761 14.135 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.186 -0.880 13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.830 -0.352 13.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.474 -0.016 14.847 1.00 0.00 H new ATOM 451 N THR A 29 -0.426 -3.776 14.742 1.00 0.00 N ATOM 452 CA THR A 29 0.816 -4.445 15.111 1.00 0.00 C ATOM 453 C THR A 29 1.440 -5.138 13.904 1.00 0.00 C ATOM 454 O THR A 29 0.785 -5.926 13.222 1.00 0.00 O ATOM 455 CB THR A 29 0.559 -5.465 16.222 1.00 0.00 C ATOM 456 OG1 THR A 29 1.734 -6.203 16.507 1.00 0.00 O ATOM 457 CG2 THR A 29 -0.534 -6.455 15.883 1.00 0.00 C ATOM 0 H THR A 29 -0.955 -4.245 14.007 1.00 0.00 H new ATOM 0 HA THR A 29 1.513 -3.689 15.474 1.00 0.00 H new ATOM 0 HB THR A 29 0.242 -4.879 17.085 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.550 -6.849 17.221 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.666 -7.150 16.713 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.467 -5.920 15.706 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.258 -7.009 14.986 1.00 0.00 H new ATOM 465 N LEU A 30 2.709 -4.839 13.645 1.00 0.00 N ATOM 466 CA LEU A 30 3.419 -5.433 12.518 1.00 0.00 C ATOM 467 C LEU A 30 4.337 -6.559 12.985 1.00 0.00 C ATOM 468 O LEU A 30 4.852 -6.530 14.103 1.00 0.00 O ATOM 469 CB LEU A 30 4.231 -4.367 11.780 1.00 0.00 C ATOM 470 CG LEU A 30 3.509 -3.700 10.607 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.426 -2.707 9.911 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.011 -4.749 9.624 1.00 0.00 C ATOM 0 H LEU A 30 3.266 -4.189 14.200 1.00 0.00 H new ATOM 0 HA LEU A 30 2.680 -5.852 11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.523 -3.596 12.493 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.149 -4.823 11.410 1.00 0.00 H new ATOM 0 HG LEU A 30 2.648 -3.156 10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.895 -2.243 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.734 -1.938 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.307 -3.227 9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.500 -4.258 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.857 -5.320 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.319 -5.422 10.130 1.00 0.00 H new ATOM 484 N SER A 31 4.535 -7.550 12.122 1.00 0.00 N ATOM 485 CA SER A 31 5.391 -8.686 12.445 1.00 0.00 C ATOM 486 C SER A 31 6.841 -8.401 12.070 1.00 0.00 C ATOM 487 O SER A 31 7.152 -7.351 11.507 1.00 0.00 O ATOM 488 CB SER A 31 4.901 -9.942 11.720 1.00 0.00 C ATOM 489 OG SER A 31 4.067 -10.723 12.559 1.00 0.00 O ATOM 0 H SER A 31 4.114 -7.590 11.194 1.00 0.00 H new ATOM 0 HA SER A 31 5.341 -8.852 13.521 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.354 -9.657 10.822 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.756 -10.536 11.397 1.00 0.00 H new ATOM 0 HG SER A 31 3.766 -11.518 12.072 1.00 0.00 H new ATOM 495 N ALA A 32 7.725 -9.342 12.388 1.00 0.00 N ATOM 496 CA ALA A 32 9.144 -9.193 12.086 1.00 0.00 C ATOM 497 C ALA A 32 9.478 -9.697 10.682 1.00 0.00 C ATOM 498 O ALA A 32 10.638 -9.684 10.272 1.00 0.00 O ATOM 499 CB ALA A 32 9.980 -9.929 13.123 1.00 0.00 C ATOM 0 H ALA A 32 7.483 -10.216 12.855 1.00 0.00 H new ATOM 0 HA ALA A 32 9.382 -8.130 12.121 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.038 -9.811 12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.780 -9.516 14.112 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.722 -10.988 13.113 1.00 0.00 H new ATOM 505 N ARG A 33 8.460 -10.142 9.949 1.00 0.00 N ATOM 506 CA ARG A 33 8.660 -10.648 8.595 1.00 0.00 C ATOM 507 C ARG A 33 8.661 -9.514 7.568 1.00 0.00 C ATOM 508 O ARG A 33 8.723 -9.761 6.364 1.00 0.00 O ATOM 509 CB ARG A 33 7.573 -11.667 8.246 1.00 0.00 C ATOM 510 CG ARG A 33 8.001 -13.109 8.460 1.00 0.00 C ATOM 511 CD ARG A 33 6.853 -13.961 8.978 1.00 0.00 C ATOM 512 NE ARG A 33 7.327 -15.157 9.670 1.00 0.00 N ATOM 513 CZ ARG A 33 7.746 -16.256 9.047 1.00 0.00 C ATOM 514 NH1 ARG A 33 7.752 -16.315 7.721 1.00 0.00 N ATOM 515 NH2 ARG A 33 8.162 -17.299 9.752 1.00 0.00 N ATOM 0 H ARG A 33 7.492 -10.162 10.269 1.00 0.00 H new ATOM 0 HA ARG A 33 9.635 -11.134 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.689 -11.465 8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.283 -11.534 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.368 -13.524 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.829 -13.142 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.240 -13.369 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.214 -14.254 8.145 1.00 0.00 H new ATOM 0 HE ARG A 33 7.337 -15.149 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.434 -15.515 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.074 -17.160 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.161 -17.259 10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.483 -18.142 9.275 1.00 0.00 H new ATOM 529 N PHE A 34 8.592 -8.274 8.046 1.00 0.00 N ATOM 530 CA PHE A 34 8.586 -7.116 7.166 1.00 0.00 C ATOM 531 C PHE A 34 9.848 -7.074 6.309 1.00 0.00 C ATOM 532 O PHE A 34 10.951 -7.318 6.799 1.00 0.00 O ATOM 533 CB PHE A 34 8.471 -5.836 7.995 1.00 0.00 C ATOM 534 CG PHE A 34 9.676 -5.559 8.848 1.00 0.00 C ATOM 535 CD1 PHE A 34 9.816 -6.160 10.090 1.00 0.00 C ATOM 536 CD2 PHE A 34 10.670 -4.699 8.409 1.00 0.00 C ATOM 537 CE1 PHE A 34 10.924 -5.907 10.876 1.00 0.00 C ATOM 538 CE2 PHE A 34 11.780 -4.443 9.191 1.00 0.00 C ATOM 539 CZ PHE A 34 11.907 -5.048 10.426 1.00 0.00 C ATOM 0 H PHE A 34 8.540 -8.049 9.039 1.00 0.00 H new ATOM 0 HA PHE A 34 7.726 -7.194 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.310 -4.992 7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.592 -5.906 8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.051 -6.833 10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.576 -4.223 7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.021 -6.381 11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.547 -3.771 8.837 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.774 -4.850 11.039 1.00 0.00 H new ATOM 549 N ASP A 35 9.678 -6.763 5.028 1.00 0.00 N ATOM 550 CA ASP A 35 10.803 -6.688 4.104 1.00 0.00 C ATOM 551 C ASP A 35 10.925 -5.287 3.512 1.00 0.00 C ATOM 552 O ASP A 35 9.948 -4.725 3.020 1.00 0.00 O ATOM 553 CB ASP A 35 10.641 -7.719 2.984 1.00 0.00 C ATOM 554 CG ASP A 35 11.525 -8.934 3.186 1.00 0.00 C ATOM 555 OD1 ASP A 35 11.114 -9.851 3.927 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.629 -8.967 2.603 1.00 0.00 O ATOM 0 H ASP A 35 8.772 -6.559 4.607 1.00 0.00 H new ATOM 0 HA ASP A 35 11.715 -6.909 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.599 -8.035 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.880 -7.254 2.028 1.00 0.00 H new ATOM 561 N ARG A 36 12.129 -4.730 3.566 1.00 0.00 N ATOM 562 CA ARG A 36 12.379 -3.393 3.037 1.00 0.00 C ATOM 563 C ARG A 36 12.237 -3.360 1.515 1.00 0.00 C ATOM 564 O ARG A 36 12.167 -2.287 0.916 1.00 0.00 O ATOM 565 CB ARG A 36 13.777 -2.919 3.438 1.00 0.00 C ATOM 566 CG ARG A 36 13.983 -2.834 4.942 1.00 0.00 C ATOM 567 CD ARG A 36 15.422 -3.141 5.325 1.00 0.00 C ATOM 568 NE ARG A 36 15.907 -2.260 6.385 1.00 0.00 N ATOM 569 CZ ARG A 36 16.976 -2.519 7.133 1.00 0.00 C ATOM 570 NH1 ARG A 36 17.675 -3.631 6.943 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.349 -1.663 8.075 1.00 0.00 N ATOM 0 H ARG A 36 12.948 -5.183 3.971 1.00 0.00 H new ATOM 0 HA ARG A 36 11.633 -2.722 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.517 -3.599 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.959 -1.938 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.717 -1.836 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.315 -3.535 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.496 -4.178 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.060 -3.038 4.448 1.00 0.00 H new ATOM 0 HE ARG A 36 15.396 -1.395 6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.394 -4.293 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.494 -3.824 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.816 -0.806 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.169 -1.861 8.649 1.00 0.00 H new ATOM 585 N HIS A 37 12.200 -4.536 0.894 1.00 0.00 N ATOM 586 CA HIS A 37 12.072 -4.629 -0.555 1.00 0.00 C ATOM 587 C HIS A 37 10.675 -4.223 -1.014 1.00 0.00 C ATOM 588 O HIS A 37 10.517 -3.568 -2.043 1.00 0.00 O ATOM 589 CB HIS A 37 12.381 -6.052 -1.024 1.00 0.00 C ATOM 590 CG HIS A 37 12.660 -6.151 -2.492 1.00 0.00 C ATOM 591 ND1 HIS A 37 13.785 -6.762 -3.005 1.00 0.00 N ATOM 592 CD2 HIS A 37 11.953 -5.712 -3.560 1.00 0.00 C ATOM 593 CE1 HIS A 37 13.758 -6.694 -4.325 1.00 0.00 C ATOM 594 NE2 HIS A 37 12.656 -6.063 -4.686 1.00 0.00 N ATOM 0 H HIS A 37 12.257 -5.435 1.372 1.00 0.00 H new ATOM 0 HA HIS A 37 12.791 -3.940 -0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.243 -6.429 -0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.538 -6.698 -0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.011 -5.184 -3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.509 -7.087 -4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.373 -5.868 -5.646 1.00 0.00 H new ATOM 603 N LEU A 38 9.663 -4.619 -0.247 1.00 0.00 N ATOM 604 CA LEU A 38 8.281 -4.295 -0.584 1.00 0.00 C ATOM 605 C LEU A 38 7.692 -3.284 0.397 1.00 0.00 C ATOM 606 O LEU A 38 6.695 -2.626 0.098 1.00 0.00 O ATOM 607 CB LEU A 38 7.427 -5.564 -0.597 1.00 0.00 C ATOM 608 CG LEU A 38 7.611 -6.481 0.614 1.00 0.00 C ATOM 609 CD1 LEU A 38 6.285 -7.105 1.019 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.639 -7.560 0.313 1.00 0.00 C ATOM 0 H LEU A 38 9.774 -5.163 0.609 1.00 0.00 H new ATOM 0 HA LEU A 38 8.277 -3.847 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.377 -5.277 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.657 -6.129 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 38 7.976 -5.881 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.437 -7.754 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.576 -6.318 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.890 -7.691 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.757 -8.203 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.303 -8.157 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.595 -7.095 0.073 1.00 0.00 H new ATOM 622 N PHE A 39 8.309 -3.165 1.569 1.00 0.00 N ATOM 623 CA PHE A 39 7.838 -2.235 2.588 1.00 0.00 C ATOM 624 C PHE A 39 8.889 -1.170 2.884 1.00 0.00 C ATOM 625 O PHE A 39 10.076 -1.364 2.622 1.00 0.00 O ATOM 626 CB PHE A 39 7.486 -2.989 3.872 1.00 0.00 C ATOM 627 CG PHE A 39 6.032 -3.348 3.978 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.058 -2.363 3.958 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.639 -4.672 4.097 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.719 -2.691 4.056 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.302 -5.006 4.196 1.00 0.00 C ATOM 632 CZ PHE A 39 3.340 -4.014 4.175 1.00 0.00 C ATOM 0 H PHE A 39 9.135 -3.701 1.836 1.00 0.00 H new ATOM 0 HA PHE A 39 6.945 -1.741 2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.081 -3.901 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.764 -2.378 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.348 -1.327 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.386 -5.451 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.970 -1.914 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.009 -6.041 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.294 -4.273 4.251 1.00 0.00 H new ATOM 642 N GLN A 40 8.443 -0.045 3.432 1.00 0.00 N ATOM 643 CA GLN A 40 9.344 1.052 3.767 1.00 0.00 C ATOM 644 C GLN A 40 9.746 0.994 5.237 1.00 0.00 C ATOM 645 O GLN A 40 9.114 0.304 6.038 1.00 0.00 O ATOM 646 CB GLN A 40 8.681 2.396 3.455 1.00 0.00 C ATOM 647 CG GLN A 40 9.234 3.072 2.211 1.00 0.00 C ATOM 648 CD GLN A 40 8.269 4.077 1.615 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.518 3.762 0.692 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.284 5.296 2.140 1.00 0.00 N ATOM 0 H GLN A 40 7.463 0.131 3.654 1.00 0.00 H new ATOM 0 HA GLN A 40 10.244 0.952 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.609 2.243 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.810 3.062 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.168 3.575 2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.470 2.314 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.923 5.514 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.657 6.015 1.779 1.00 0.00 H new ATOM 659 N THR A 41 10.801 1.722 5.585 1.00 0.00 N ATOM 660 CA THR A 41 11.289 1.755 6.958 1.00 0.00 C ATOM 661 C THR A 41 10.250 2.367 7.896 1.00 0.00 C ATOM 662 O THR A 41 10.265 2.115 9.101 1.00 0.00 O ATOM 663 CB THR A 41 12.594 2.549 7.036 1.00 0.00 C ATOM 664 OG1 THR A 41 13.050 2.636 8.375 1.00 0.00 O ATOM 665 CG2 THR A 41 12.469 3.959 6.500 1.00 0.00 C ATOM 0 H THR A 41 11.335 2.298 4.934 1.00 0.00 H new ATOM 0 HA THR A 41 11.474 0.729 7.275 1.00 0.00 H new ATOM 0 HB THR A 41 13.302 2.002 6.413 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.886 3.146 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.430 4.467 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.168 3.925 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.720 4.502 7.076 1.00 0.00 H new ATOM 673 N ARG A 42 9.350 3.172 7.338 1.00 0.00 N ATOM 674 CA ARG A 42 8.307 3.818 8.129 1.00 0.00 C ATOM 675 C ARG A 42 7.265 2.804 8.600 1.00 0.00 C ATOM 676 O ARG A 42 6.541 3.050 9.565 1.00 0.00 O ATOM 677 CB ARG A 42 7.631 4.922 7.312 1.00 0.00 C ATOM 678 CG ARG A 42 7.705 6.294 7.963 1.00 0.00 C ATOM 679 CD ARG A 42 7.034 6.304 9.329 1.00 0.00 C ATOM 680 NE ARG A 42 8.005 6.431 10.413 1.00 0.00 N ATOM 681 CZ ARG A 42 7.740 6.136 11.684 1.00 0.00 C ATOM 682 NH1 ARG A 42 6.535 5.703 12.035 1.00 0.00 N ATOM 683 NH2 ARG A 42 8.682 6.275 12.607 1.00 0.00 N ATOM 0 H ARG A 42 9.322 3.392 6.342 1.00 0.00 H new ATOM 0 HA ARG A 42 8.776 4.259 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.097 4.971 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.585 4.659 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.748 6.592 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.227 7.030 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.325 7.130 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.463 5.385 9.459 1.00 0.00 H new ATOM 0 HE ARG A 42 8.941 6.765 10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.806 5.595 11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.338 5.479 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.609 6.608 12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.479 6.049 13.581 1.00 0.00 H new ATOM 697 N ALA A 43 7.193 1.666 7.915 1.00 0.00 N ATOM 698 CA ALA A 43 6.238 0.624 8.270 1.00 0.00 C ATOM 699 C ALA A 43 6.523 0.071 9.662 1.00 0.00 C ATOM 700 O ALA A 43 7.335 -0.839 9.826 1.00 0.00 O ATOM 701 CB ALA A 43 6.269 -0.494 7.238 1.00 0.00 C ATOM 0 H ALA A 43 7.783 1.444 7.113 1.00 0.00 H new ATOM 0 HA ALA A 43 5.242 1.066 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.551 -1.266 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.009 -0.092 6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.269 -0.926 7.200 1.00 0.00 H new ATOM 707 N THR A 44 5.849 0.629 10.662 1.00 0.00 N ATOM 708 CA THR A 44 6.029 0.194 12.042 1.00 0.00 C ATOM 709 C THR A 44 4.826 -0.611 12.519 1.00 0.00 C ATOM 710 O THR A 44 4.959 -1.517 13.342 1.00 0.00 O ATOM 711 CB THR A 44 6.245 1.402 12.955 1.00 0.00 C ATOM 712 OG1 THR A 44 5.233 2.373 12.750 1.00 0.00 O ATOM 713 CG2 THR A 44 7.581 2.081 12.744 1.00 0.00 C ATOM 0 H THR A 44 5.173 1.383 10.542 1.00 0.00 H new ATOM 0 HA THR A 44 6.911 -0.446 12.084 1.00 0.00 H new ATOM 0 HB THR A 44 6.213 1.006 13.970 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.388 3.137 13.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.669 2.929 13.423 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.385 1.372 12.943 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.652 2.431 11.714 1.00 0.00 H new ATOM 721 N THR A 45 3.651 -0.275 11.998 1.00 0.00 N ATOM 722 CA THR A 45 2.424 -0.968 12.370 1.00 0.00 C ATOM 723 C THR A 45 1.422 -0.954 11.220 1.00 0.00 C ATOM 724 O THR A 45 1.690 -0.396 10.157 1.00 0.00 O ATOM 725 CB THR A 45 1.805 -0.320 13.610 1.00 0.00 C ATOM 726 OG1 THR A 45 1.888 1.092 13.531 1.00 0.00 O ATOM 727 CG2 THR A 45 2.467 -0.747 14.902 1.00 0.00 C ATOM 0 H THR A 45 3.523 0.473 11.317 1.00 0.00 H new ATOM 0 HA THR A 45 2.675 -2.004 12.597 1.00 0.00 H new ATOM 0 HB THR A 45 0.768 -0.655 13.624 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.486 1.489 14.332 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.980 -0.251 15.742 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.377 -1.827 15.017 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.521 -0.471 14.879 1.00 0.00 H new ATOM 735 N LEU A 46 0.266 -1.573 11.441 1.00 0.00 N ATOM 736 CA LEU A 46 -0.777 -1.632 10.422 1.00 0.00 C ATOM 737 C LEU A 46 -1.189 -0.230 9.984 1.00 0.00 C ATOM 738 O LEU A 46 -1.419 0.019 8.800 1.00 0.00 O ATOM 739 CB LEU A 46 -1.994 -2.393 10.952 1.00 0.00 C ATOM 740 CG LEU A 46 -1.959 -3.905 10.728 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.820 -4.618 11.760 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.422 -4.245 9.319 1.00 0.00 C ATOM 0 H LEU A 46 0.028 -2.040 12.316 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.376 -2.160 9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.086 -2.201 12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.890 -1.991 10.478 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.931 -4.247 10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.783 -5.693 11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.445 -4.400 12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.850 -4.272 11.676 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.391 -5.325 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.442 -3.889 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.765 -3.764 8.594 1.00 0.00 H new ATOM 754 N GLN A 47 -1.279 0.684 10.945 1.00 0.00 N ATOM 755 CA GLN A 47 -1.661 2.060 10.657 1.00 0.00 C ATOM 756 C GLN A 47 -0.622 2.734 9.768 1.00 0.00 C ATOM 757 O GLN A 47 -0.957 3.565 8.924 1.00 0.00 O ATOM 758 CB GLN A 47 -1.828 2.850 11.957 1.00 0.00 C ATOM 759 CG GLN A 47 -0.648 2.714 12.906 1.00 0.00 C ATOM 760 CD GLN A 47 0.023 4.042 13.199 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.455 4.824 14.021 1.00 0.00 O ATOM 762 NE2 GLN A 47 1.136 4.303 12.524 1.00 0.00 N ATOM 0 H GLN A 47 -1.092 0.496 11.930 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.614 2.044 10.127 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.971 3.904 11.717 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.732 2.513 12.464 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.988 2.269 13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.083 2.030 12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.496 3.625 11.852 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.631 5.181 12.677 1.00 0.00 H new ATOM 771 N ALA A 48 0.641 2.368 9.963 1.00 0.00 N ATOM 772 CA ALA A 48 1.730 2.933 9.177 1.00 0.00 C ATOM 773 C ALA A 48 1.682 2.429 7.739 1.00 0.00 C ATOM 774 O ALA A 48 1.951 3.177 6.799 1.00 0.00 O ATOM 775 CB ALA A 48 3.070 2.596 9.813 1.00 0.00 C ATOM 0 H ALA A 48 0.935 1.683 10.659 1.00 0.00 H new ATOM 0 HA ALA A 48 1.612 4.017 9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.874 3.024 9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.108 3.008 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.189 1.513 9.859 1.00 0.00 H new ATOM 781 N CYS A 49 1.335 1.156 7.576 1.00 0.00 N ATOM 782 CA CYS A 49 1.247 0.552 6.253 1.00 0.00 C ATOM 783 C CYS A 49 0.183 1.247 5.411 1.00 0.00 C ATOM 784 O CYS A 49 0.425 1.608 4.260 1.00 0.00 O ATOM 785 CB CYS A 49 0.929 -0.940 6.369 1.00 0.00 C ATOM 786 SG CYS A 49 2.325 -1.951 6.917 1.00 0.00 S ATOM 0 H CYS A 49 1.110 0.524 8.344 1.00 0.00 H new ATOM 0 HA CYS A 49 2.212 0.672 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.103 -1.071 7.067 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.588 -1.305 5.400 1.00 0.00 H new ATOM 0 HG CYS A 49 2.829 -2.583 5.899 1.00 0.00 H new ATOM 792 N LEU A 50 -0.996 1.435 5.996 1.00 0.00 N ATOM 793 CA LEU A 50 -2.097 2.091 5.301 1.00 0.00 C ATOM 794 C LEU A 50 -1.748 3.541 4.985 1.00 0.00 C ATOM 795 O LEU A 50 -1.916 3.998 3.855 1.00 0.00 O ATOM 796 CB LEU A 50 -3.371 2.032 6.147 1.00 0.00 C ATOM 797 CG LEU A 50 -4.297 0.854 5.841 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.403 0.761 6.880 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.884 0.988 4.444 1.00 0.00 C ATOM 0 H LEU A 50 -1.213 1.142 6.949 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.270 1.563 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.089 1.989 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.927 2.958 6.004 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.712 -0.065 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.052 -0.083 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.964 0.618 7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.987 1.681 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.540 0.142 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.455 1.914 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.078 1.005 3.711 1.00 0.00 H new ATOM 811 N ASP A 51 -1.257 4.258 5.991 1.00 0.00 N ATOM 812 CA ASP A 51 -0.880 5.656 5.819 1.00 0.00 C ATOM 813 C ASP A 51 0.223 5.793 4.775 1.00 0.00 C ATOM 814 O ASP A 51 0.245 6.750 4.002 1.00 0.00 O ATOM 815 CB ASP A 51 -0.417 6.249 7.151 1.00 0.00 C ATOM 816 CG ASP A 51 -1.577 6.608 8.058 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.536 7.245 7.573 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.527 6.253 9.255 1.00 0.00 O ATOM 0 H ASP A 51 -1.111 3.894 6.933 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.755 6.205 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.230 5.534 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.181 7.140 6.961 1.00 0.00 H new ATOM 823 N GLU A 52 1.135 4.827 4.758 1.00 0.00 N ATOM 824 CA GLU A 52 2.241 4.836 3.807 1.00 0.00 C ATOM 825 C GLU A 52 1.722 4.760 2.376 1.00 0.00 C ATOM 826 O GLU A 52 2.189 5.484 1.496 1.00 0.00 O ATOM 827 CB GLU A 52 3.189 3.667 4.082 1.00 0.00 C ATOM 828 CG GLU A 52 4.313 4.009 5.046 1.00 0.00 C ATOM 829 CD GLU A 52 5.513 3.097 4.888 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.319 1.919 4.519 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.647 3.560 5.132 1.00 0.00 O ATOM 0 H GLU A 52 1.130 4.028 5.392 1.00 0.00 H new ATOM 0 HA GLU A 52 2.787 5.771 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.616 2.833 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.620 3.330 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.622 5.042 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.943 3.942 6.069 1.00 0.00 H new ATOM 838 N ALA A 53 0.752 3.880 2.150 1.00 0.00 N ATOM 839 CA ALA A 53 0.167 3.710 0.826 1.00 0.00 C ATOM 840 C ALA A 53 -0.540 4.983 0.375 1.00 0.00 C ATOM 841 O ALA A 53 -0.434 5.389 -0.782 1.00 0.00 O ATOM 842 CB ALA A 53 -0.799 2.536 0.821 1.00 0.00 C ATOM 0 H ALA A 53 0.355 3.274 2.867 1.00 0.00 H new ATOM 0 HA ALA A 53 0.973 3.503 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.228 2.422 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.266 1.625 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.597 2.718 1.541 1.00 0.00 H new ATOM 848 N GLY A 54 -1.260 5.612 1.299 1.00 0.00 N ATOM 849 CA GLY A 54 -1.973 6.835 0.980 1.00 0.00 C ATOM 850 C GLY A 54 -1.037 7.955 0.571 1.00 0.00 C ATOM 851 O GLY A 54 -1.335 8.717 -0.350 1.00 0.00 O ATOM 0 H GLY A 54 -1.362 5.296 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.679 6.641 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.556 7.149 1.845 1.00 0.00 H new ATOM 855 N ASP A 55 0.098 8.053 1.254 1.00 0.00 N ATOM 856 CA ASP A 55 1.083 9.085 0.956 1.00 0.00 C ATOM 857 C ASP A 55 1.875 8.728 -0.298 1.00 0.00 C ATOM 858 O ASP A 55 2.298 9.607 -1.049 1.00 0.00 O ATOM 859 CB ASP A 55 2.035 9.272 2.139 1.00 0.00 C ATOM 860 CG ASP A 55 1.385 10.008 3.293 1.00 0.00 C ATOM 861 OD1 ASP A 55 0.255 9.636 3.674 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.005 10.957 3.817 1.00 0.00 O ATOM 0 H ASP A 55 0.359 7.430 2.018 1.00 0.00 H new ATOM 0 HA ASP A 55 0.552 10.020 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.380 8.297 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.915 9.824 1.810 1.00 0.00 H new ATOM 867 N ASN A 56 2.068 7.431 -0.518 1.00 0.00 N ATOM 868 CA ASN A 56 2.805 6.955 -1.682 1.00 0.00 C ATOM 869 C ASN A 56 2.004 7.188 -2.959 1.00 0.00 C ATOM 870 O ASN A 56 2.522 7.720 -3.942 1.00 0.00 O ATOM 871 CB ASN A 56 3.132 5.467 -1.532 1.00 0.00 C ATOM 872 CG ASN A 56 4.619 5.214 -1.374 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.427 5.670 -2.182 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.986 4.480 -0.329 1.00 0.00 N ATOM 0 H ASN A 56 1.724 6.692 0.095 1.00 0.00 H new ATOM 0 HA ASN A 56 3.737 7.517 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.604 5.068 -0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.765 4.928 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.973 4.274 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.281 4.122 0.316 1.00 0.00 H new ATOM 881 N LEU A 57 0.737 6.788 -2.936 1.00 0.00 N ATOM 882 CA LEU A 57 -0.139 6.953 -4.090 1.00 0.00 C ATOM 883 C LEU A 57 -0.394 8.430 -4.369 1.00 0.00 C ATOM 884 O LEU A 57 -0.403 8.862 -5.522 1.00 0.00 O ATOM 885 CB LEU A 57 -1.466 6.227 -3.857 1.00 0.00 C ATOM 886 CG LEU A 57 -2.338 6.813 -2.745 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.221 7.927 -3.288 1.00 0.00 C ATOM 888 CD2 LEU A 57 -3.184 5.724 -2.101 1.00 0.00 C ATOM 0 H LEU A 57 0.294 6.347 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 57 0.356 6.518 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.035 6.235 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.255 5.184 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.684 7.236 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.834 8.331 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.596 8.719 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.867 7.530 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.798 6.159 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.828 5.271 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.532 4.961 -1.675 1.00 0.00 H new ATOM 900 N ALA A 58 -0.599 9.202 -3.306 1.00 0.00 N ATOM 901 CA ALA A 58 -0.851 10.631 -3.438 1.00 0.00 C ATOM 902 C ALA A 58 0.337 11.336 -4.082 1.00 0.00 C ATOM 903 O ALA A 58 0.176 12.111 -5.025 1.00 0.00 O ATOM 904 CB ALA A 58 -1.155 11.241 -2.078 1.00 0.00 C ATOM 0 H ALA A 58 -0.595 8.861 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.718 10.766 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.341 12.309 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.037 10.762 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.305 11.090 -1.413 1.00 0.00 H new ATOM 910 N ALA A 59 1.531 11.059 -3.569 1.00 0.00 N ATOM 911 CA ALA A 59 2.748 11.663 -4.097 1.00 0.00 C ATOM 912 C ALA A 59 3.052 11.143 -5.497 1.00 0.00 C ATOM 913 O ALA A 59 3.654 11.841 -6.313 1.00 0.00 O ATOM 914 CB ALA A 59 3.920 11.392 -3.165 1.00 0.00 C ATOM 0 H ALA A 59 1.682 10.420 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 59 2.593 12.740 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.822 11.849 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.710 11.816 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.069 10.316 -3.071 1.00 0.00 H new ATOM 920 N LEU A 60 2.629 9.913 -5.770 1.00 0.00 N ATOM 921 CA LEU A 60 2.853 9.298 -7.073 1.00 0.00 C ATOM 922 C LEU A 60 2.103 10.054 -8.165 1.00 0.00 C ATOM 923 O LEU A 60 2.676 10.404 -9.197 1.00 0.00 O ATOM 924 CB LEU A 60 2.405 7.835 -7.051 1.00 0.00 C ATOM 925 CG LEU A 60 2.544 7.094 -8.383 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.824 6.274 -8.407 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.335 6.205 -8.628 1.00 0.00 C ATOM 0 H LEU A 60 2.129 9.322 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 60 3.920 9.342 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.985 7.305 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.362 7.795 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 60 2.595 7.832 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.905 5.754 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.682 6.934 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.804 5.544 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.452 5.686 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.252 5.474 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.433 6.817 -8.656 1.00 0.00 H new ATOM 939 N ARG A 61 0.819 10.303 -7.930 1.00 0.00 N ATOM 940 CA ARG A 61 -0.010 11.019 -8.893 1.00 0.00 C ATOM 941 C ARG A 61 0.419 12.478 -9.002 1.00 0.00 C ATOM 942 O ARG A 61 0.343 13.080 -10.072 1.00 0.00 O ATOM 943 CB ARG A 61 -1.483 10.938 -8.487 1.00 0.00 C ATOM 944 CG ARG A 61 -2.444 11.347 -9.593 1.00 0.00 C ATOM 945 CD ARG A 61 -3.522 12.288 -9.079 1.00 0.00 C ATOM 946 NE ARG A 61 -4.857 11.880 -9.512 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.301 12.002 -10.761 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.520 12.516 -11.704 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.528 11.608 -11.069 1.00 0.00 N ATOM 0 H ARG A 61 0.330 10.020 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 61 0.119 10.548 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.710 9.918 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.648 11.577 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.890 11.832 -10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.909 10.458 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.488 12.318 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.319 13.299 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.485 11.478 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.574 12.820 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.866 12.607 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.132 11.211 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.868 11.701 -12.026 1.00 0.00 H new ATOM 963 N HIS A 62 0.869 13.041 -7.885 1.00 0.00 N ATOM 964 CA HIS A 62 1.311 14.431 -7.852 1.00 0.00 C ATOM 965 C HIS A 62 2.697 14.580 -8.474 1.00 0.00 C ATOM 966 O HIS A 62 3.047 15.645 -8.984 1.00 0.00 O ATOM 967 CB HIS A 62 1.329 14.945 -6.412 1.00 0.00 C ATOM 968 CG HIS A 62 1.323 16.439 -6.309 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.299 17.149 -5.721 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.227 17.359 -6.723 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.571 18.441 -5.778 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.735 18.595 -6.380 1.00 0.00 N ATOM 0 H HIS A 62 0.937 12.556 -6.990 1.00 0.00 H new ATOM 0 HA HIS A 62 0.607 15.023 -8.436 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.462 14.549 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.214 14.558 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.160 17.158 -7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.053 19.236 -5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.195 19.487 -6.561 1.00 0.00 H new ATOM 981 N ALA A 63 3.483 13.508 -8.424 1.00 0.00 N ATOM 982 CA ALA A 63 4.832 13.519 -8.979 1.00 0.00 C ATOM 983 C ALA A 63 4.834 13.981 -10.434 1.00 0.00 C ATOM 984 O ALA A 63 5.810 14.562 -10.908 1.00 0.00 O ATOM 985 CB ALA A 63 5.459 12.138 -8.861 1.00 0.00 C ATOM 0 H ALA A 63 3.208 12.620 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 63 5.425 14.230 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.466 12.159 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.507 11.849 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.854 11.416 -9.409 1.00 0.00 H new ATOM 991 N VAL A 64 3.737 13.719 -11.137 1.00 0.00 N ATOM 992 CA VAL A 64 3.618 14.108 -12.537 1.00 0.00 C ATOM 993 C VAL A 64 3.770 15.617 -12.704 1.00 0.00 C ATOM 994 O VAL A 64 4.315 16.089 -13.702 1.00 0.00 O ATOM 995 CB VAL A 64 2.266 13.669 -13.131 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.137 12.154 -13.104 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.113 14.322 -12.382 1.00 0.00 C ATOM 0 H VAL A 64 2.919 13.240 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 64 4.421 13.604 -13.074 1.00 0.00 H new ATOM 0 HB VAL A 64 2.225 13.996 -14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.176 11.863 -13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.941 11.710 -13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.201 11.802 -12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.167 13.999 -12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.149 14.029 -11.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.196 15.406 -12.459 1.00 0.00 H new ATOM 1007 N GLU A 65 3.283 16.367 -11.722 1.00 0.00 N ATOM 1008 CA GLU A 65 3.363 17.823 -11.759 1.00 0.00 C ATOM 1009 C GLU A 65 4.781 18.303 -11.457 1.00 0.00 C ATOM 1010 O GLU A 65 5.175 19.395 -11.866 1.00 0.00 O ATOM 1011 CB GLU A 65 2.382 18.434 -10.757 1.00 0.00 C ATOM 1012 CG GLU A 65 0.956 18.520 -11.277 1.00 0.00 C ATOM 1013 CD GLU A 65 0.027 19.235 -10.315 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.070 18.798 -9.149 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -0.602 20.231 -10.727 1.00 0.00 O ATOM 0 H GLU A 65 2.828 15.991 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 65 3.097 18.149 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.392 17.840 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.724 19.434 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.953 19.041 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.579 17.514 -11.461 1.00 0.00 H new ATOM 1022 N GLN A 66 5.542 17.483 -10.739 1.00 0.00 N ATOM 1023 CA GLN A 66 6.914 17.831 -10.383 1.00 0.00 C ATOM 1024 C GLN A 66 7.911 17.239 -11.379 1.00 0.00 C ATOM 1025 O GLN A 66 9.090 17.079 -11.066 1.00 0.00 O ATOM 1026 CB GLN A 66 7.234 17.341 -8.968 1.00 0.00 C ATOM 1027 CG GLN A 66 7.419 18.466 -7.963 1.00 0.00 C ATOM 1028 CD GLN A 66 7.387 17.977 -6.529 1.00 0.00 C ATOM 1029 OE1 GLN A 66 6.521 18.369 -5.746 1.00 0.00 O ATOM 1030 NE2 GLN A 66 8.335 17.116 -6.176 1.00 0.00 N ATOM 0 H GLN A 66 5.233 16.575 -10.393 1.00 0.00 H new ATOM 0 HA GLN A 66 7.004 18.917 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.430 16.689 -8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.142 16.738 -8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.370 18.964 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.635 19.210 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.033 16.818 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.365 16.753 -5.223 1.00 0.00 H new ATOM 1039 N GLN A 67 7.433 16.918 -12.579 1.00 0.00 N ATOM 1040 CA GLN A 67 8.288 16.347 -13.614 1.00 0.00 C ATOM 1041 C GLN A 67 8.964 15.070 -13.123 1.00 0.00 C ATOM 1042 O GLN A 67 10.129 14.815 -13.426 1.00 0.00 O ATOM 1043 CB GLN A 67 9.346 17.363 -14.048 1.00 0.00 C ATOM 1044 CG GLN A 67 8.762 18.682 -14.527 1.00 0.00 C ATOM 1045 CD GLN A 67 8.095 18.566 -15.883 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.638 19.009 -16.895 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.909 17.969 -15.911 1.00 0.00 N ATOM 0 H GLN A 67 6.460 17.044 -12.857 1.00 0.00 H new ATOM 0 HA GLN A 67 7.660 16.097 -14.469 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.018 17.555 -13.212 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.948 16.930 -14.847 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.035 19.039 -13.798 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.555 19.429 -14.579 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.495 17.616 -15.048 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.412 17.863 -16.795 1.00 0.00 H new ATOM 1056 N GLN A 68 8.223 14.270 -12.362 1.00 0.00 N ATOM 1057 CA GLN A 68 8.749 13.019 -11.828 1.00 0.00 C ATOM 1058 C GLN A 68 8.107 11.822 -12.522 1.00 0.00 C ATOM 1059 O GLN A 68 7.833 10.799 -11.893 1.00 0.00 O ATOM 1060 CB GLN A 68 8.506 12.943 -10.320 1.00 0.00 C ATOM 1061 CG GLN A 68 9.077 14.123 -9.551 1.00 0.00 C ATOM 1062 CD GLN A 68 10.583 14.232 -9.686 1.00 0.00 C ATOM 1063 OE1 GLN A 68 11.328 13.419 -9.139 1.00 0.00 O ATOM 1064 NE2 GLN A 68 11.040 15.243 -10.417 1.00 0.00 N ATOM 0 H GLN A 68 7.257 14.466 -12.102 1.00 0.00 H new ATOM 0 HA GLN A 68 9.822 12.992 -12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.433 12.885 -10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.946 12.023 -9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.616 15.043 -9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.816 14.026 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.386 15.894 -10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.044 15.368 -10.543 1.00 0.00 H new ATOM 1073 N LEU A 69 7.869 11.959 -13.822 1.00 0.00 N ATOM 1074 CA LEU A 69 7.257 10.894 -14.609 1.00 0.00 C ATOM 1075 C LEU A 69 8.037 9.584 -14.478 1.00 0.00 C ATOM 1076 O LEU A 69 7.475 8.559 -14.094 1.00 0.00 O ATOM 1077 CB LEU A 69 7.165 11.307 -16.079 1.00 0.00 C ATOM 1078 CG LEU A 69 6.096 12.356 -16.388 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.249 12.872 -17.810 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.705 11.777 -16.176 1.00 0.00 C ATOM 0 H LEU A 69 8.091 12.800 -14.355 1.00 0.00 H new ATOM 0 HA LEU A 69 6.252 10.728 -14.221 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.134 11.694 -16.394 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.966 10.419 -16.679 1.00 0.00 H new ATOM 0 HG LEU A 69 6.228 13.194 -15.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.480 13.617 -18.011 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.233 13.325 -17.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.144 12.044 -18.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.956 12.537 -16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.563 10.921 -16.836 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.598 11.457 -15.139 1.00 0.00 H new ATOM 1092 N PRO A 70 9.346 9.593 -14.797 1.00 0.00 N ATOM 1093 CA PRO A 70 10.184 8.391 -14.709 1.00 0.00 C ATOM 1094 C PRO A 70 10.252 7.836 -13.290 1.00 0.00 C ATOM 1095 O PRO A 70 10.468 6.640 -13.091 1.00 0.00 O ATOM 1096 CB PRO A 70 11.567 8.871 -15.165 1.00 0.00 C ATOM 1097 CG PRO A 70 11.535 10.353 -15.018 1.00 0.00 C ATOM 1098 CD PRO A 70 10.112 10.761 -15.267 1.00 0.00 C ATOM 0 HA PRO A 70 9.786 7.578 -15.316 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.357 8.432 -14.555 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.763 8.582 -16.197 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.859 10.654 -14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.208 10.831 -15.730 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.849 11.664 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.929 10.966 -16.322 1.00 0.00 H new ATOM 1106 N GLN A 71 10.064 8.710 -12.306 1.00 0.00 N ATOM 1107 CA GLN A 71 10.103 8.304 -10.906 1.00 0.00 C ATOM 1108 C GLN A 71 8.846 7.523 -10.530 1.00 0.00 C ATOM 1109 O GLN A 71 8.871 6.680 -9.634 1.00 0.00 O ATOM 1110 CB GLN A 71 10.248 9.530 -10.001 1.00 0.00 C ATOM 1111 CG GLN A 71 11.672 9.767 -9.523 1.00 0.00 C ATOM 1112 CD GLN A 71 12.514 10.508 -10.544 1.00 0.00 C ATOM 1113 OE1 GLN A 71 13.577 10.038 -10.947 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.041 11.674 -10.966 1.00 0.00 N ATOM 0 H GLN A 71 9.883 9.703 -12.452 1.00 0.00 H new ATOM 0 HA GLN A 71 10.967 7.654 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.903 10.412 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.598 9.411 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.649 10.337 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.140 8.809 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.154 12.026 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.564 12.218 -11.652 1.00 0.00 H new ATOM 1123 N VAL A 72 7.747 7.811 -11.222 1.00 0.00 N ATOM 1124 CA VAL A 72 6.480 7.138 -10.962 1.00 0.00 C ATOM 1125 C VAL A 72 6.619 5.625 -11.103 1.00 0.00 C ATOM 1126 O VAL A 72 5.904 4.863 -10.453 1.00 0.00 O ATOM 1127 CB VAL A 72 5.377 7.631 -11.917 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.024 7.065 -11.512 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.339 9.151 -11.949 1.00 0.00 C ATOM 0 H VAL A 72 7.709 8.506 -11.967 1.00 0.00 H new ATOM 0 HA VAL A 72 6.199 7.379 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 72 5.607 7.274 -12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.258 7.425 -12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.060 5.976 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.783 7.388 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.554 9.481 -12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.136 9.531 -10.948 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.301 9.532 -12.293 1.00 0.00 H new ATOM 1139 N ALA A 73 7.544 5.197 -11.956 1.00 0.00 N ATOM 1140 CA ALA A 73 7.776 3.775 -12.182 1.00 0.00 C ATOM 1141 C ALA A 73 8.189 3.075 -10.892 1.00 0.00 C ATOM 1142 O ALA A 73 7.632 2.038 -10.531 1.00 0.00 O ATOM 1143 CB ALA A 73 8.836 3.578 -13.254 1.00 0.00 C ATOM 0 H ALA A 73 8.145 5.814 -12.502 1.00 0.00 H new ATOM 0 HA ALA A 73 6.842 3.329 -12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.999 2.512 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.502 4.036 -14.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.768 4.044 -12.934 1.00 0.00 H new ATOM 1149 N TRP A 74 9.169 3.648 -10.201 1.00 0.00 N ATOM 1150 CA TRP A 74 9.658 3.078 -8.951 1.00 0.00 C ATOM 1151 C TRP A 74 8.587 3.142 -7.866 1.00 0.00 C ATOM 1152 O TRP A 74 8.279 2.139 -7.223 1.00 0.00 O ATOM 1153 CB TRP A 74 10.916 3.815 -8.488 1.00 0.00 C ATOM 1154 CG TRP A 74 11.992 2.898 -7.990 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.657 1.949 -8.711 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.525 2.842 -6.662 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.572 1.306 -7.913 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.510 1.836 -6.651 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.266 3.545 -5.482 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.235 1.518 -5.505 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.987 3.227 -4.346 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.961 2.222 -4.365 1.00 0.00 C ATOM 0 H TRP A 74 9.640 4.507 -10.486 1.00 0.00 H new ATOM 0 HA TRP A 74 9.904 2.031 -9.130 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.307 4.407 -9.316 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.648 4.514 -7.695 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.489 1.735 -9.756 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.196 0.556 -8.211 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.517 4.322 -5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.987 0.743 -5.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.795 3.763 -3.428 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.507 1.998 -3.461 1.00 0.00 H new ATOM 1173 N LEU A 75 8.022 4.329 -7.669 1.00 0.00 N ATOM 1174 CA LEU A 75 6.985 4.524 -6.662 1.00 0.00 C ATOM 1175 C LEU A 75 5.780 3.632 -6.942 1.00 0.00 C ATOM 1176 O LEU A 75 5.114 3.163 -6.019 1.00 0.00 O ATOM 1177 CB LEU A 75 6.550 5.991 -6.624 1.00 0.00 C ATOM 1178 CG LEU A 75 7.518 6.936 -5.907 1.00 0.00 C ATOM 1179 CD1 LEU A 75 8.321 7.745 -6.914 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.763 7.859 -4.961 1.00 0.00 C ATOM 0 H LEU A 75 8.265 5.170 -8.193 1.00 0.00 H new ATOM 0 HA LEU A 75 7.400 4.250 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.416 6.341 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.577 6.053 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 75 8.211 6.334 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.003 8.411 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.893 7.070 -7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.643 8.336 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.468 8.523 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.045 8.452 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.235 7.264 -4.216 1.00 0.00 H new ATOM 1192 N ALA A 76 5.505 3.402 -8.221 1.00 0.00 N ATOM 1193 CA ALA A 76 4.380 2.567 -8.624 1.00 0.00 C ATOM 1194 C ALA A 76 4.573 1.127 -8.163 1.00 0.00 C ATOM 1195 O ALA A 76 3.691 0.543 -7.532 1.00 0.00 O ATOM 1196 CB ALA A 76 4.198 2.620 -10.133 1.00 0.00 C ATOM 0 H ALA A 76 6.046 3.783 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 76 3.481 2.956 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.355 1.992 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.006 3.648 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.103 2.258 -10.622 1.00 0.00 H new ATOM 1202 N GLU A 77 5.731 0.559 -8.481 1.00 0.00 N ATOM 1203 CA GLU A 77 6.039 -0.814 -8.099 1.00 0.00 C ATOM 1204 C GLU A 77 6.006 -0.978 -6.582 1.00 0.00 C ATOM 1205 O GLU A 77 5.592 -2.017 -6.068 1.00 0.00 O ATOM 1206 CB GLU A 77 7.412 -1.219 -8.638 1.00 0.00 C ATOM 1207 CG GLU A 77 7.442 -1.403 -10.147 1.00 0.00 C ATOM 1208 CD GLU A 77 6.486 -2.479 -10.622 1.00 0.00 C ATOM 1209 OE1 GLU A 77 5.296 -2.165 -10.835 1.00 0.00 O ATOM 1210 OE2 GLU A 77 6.927 -3.637 -10.781 1.00 0.00 O ATOM 0 H GLU A 77 6.472 1.028 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 77 5.280 -1.465 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.142 -0.459 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.721 -2.149 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.189 -0.459 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.455 -1.659 -10.458 1.00 0.00 H new ATOM 1217 N HIS A 78 6.443 0.057 -5.871 1.00 0.00 N ATOM 1218 CA HIS A 78 6.462 0.029 -4.413 1.00 0.00 C ATOM 1219 C HIS A 78 5.044 0.019 -3.851 1.00 0.00 C ATOM 1220 O HIS A 78 4.777 -0.604 -2.823 1.00 0.00 O ATOM 1221 CB HIS A 78 7.231 1.234 -3.869 1.00 0.00 C ATOM 1222 CG HIS A 78 8.094 0.910 -2.689 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.185 1.670 -2.322 1.00 0.00 N ATOM 1224 CD2 HIS A 78 8.023 -0.100 -1.789 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.747 1.142 -1.250 1.00 0.00 C ATOM 1226 NE2 HIS A 78 9.061 0.068 -0.906 1.00 0.00 N ATOM 0 H HIS A 78 6.788 0.925 -6.281 1.00 0.00 H new ATOM 0 HA HIS A 78 6.965 -0.886 -4.098 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.855 1.645 -4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.520 2.011 -3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.287 -0.890 -1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.620 1.524 -0.741 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.268 -0.539 -0.113 1.00 0.00 H new ATOM 1235 N LEU A 79 4.139 0.714 -4.532 1.00 0.00 N ATOM 1236 CA LEU A 79 2.747 0.785 -4.102 1.00 0.00 C ATOM 1237 C LEU A 79 2.053 -0.561 -4.284 1.00 0.00 C ATOM 1238 O LEU A 79 1.335 -1.025 -3.398 1.00 0.00 O ATOM 1239 CB LEU A 79 2.003 1.868 -4.887 1.00 0.00 C ATOM 1240 CG LEU A 79 2.016 3.257 -4.246 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.090 4.337 -5.314 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.784 3.450 -3.374 1.00 0.00 C ATOM 0 H LEU A 79 4.344 1.236 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 79 2.732 1.041 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.442 1.940 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.967 1.554 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 79 2.901 3.339 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.098 5.318 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.001 4.209 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.224 4.259 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.808 4.443 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.113 3.349 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.774 2.696 -2.587 1.00 0.00 H new ATOM 1254 N ALA A 80 2.270 -1.181 -5.439 1.00 0.00 N ATOM 1255 CA ALA A 80 1.665 -2.473 -5.738 1.00 0.00 C ATOM 1256 C ALA A 80 2.197 -3.558 -4.807 1.00 0.00 C ATOM 1257 O ALA A 80 1.484 -4.500 -4.464 1.00 0.00 O ATOM 1258 CB ALA A 80 1.916 -2.851 -7.190 1.00 0.00 C ATOM 0 H ALA A 80 2.860 -0.809 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 80 0.590 -2.388 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.458 -3.818 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.480 -2.095 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.989 -2.911 -7.370 1.00 0.00 H new ATOM 1264 N ALA A 81 3.455 -3.418 -4.401 1.00 0.00 N ATOM 1265 CA ALA A 81 4.082 -4.387 -3.509 1.00 0.00 C ATOM 1266 C ALA A 81 3.515 -4.281 -2.098 1.00 0.00 C ATOM 1267 O ALA A 81 3.076 -5.275 -1.518 1.00 0.00 O ATOM 1268 CB ALA A 81 5.590 -4.189 -3.491 1.00 0.00 C ATOM 0 H ALA A 81 4.060 -2.644 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 81 3.863 -5.386 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.045 -4.919 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.987 -4.323 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.821 -3.183 -3.141 1.00 0.00 H new ATOM 1274 N GLN A 82 3.526 -3.070 -1.550 1.00 0.00 N ATOM 1275 CA GLN A 82 3.011 -2.836 -0.205 1.00 0.00 C ATOM 1276 C GLN A 82 1.520 -3.151 -0.133 1.00 0.00 C ATOM 1277 O GLN A 82 1.019 -3.598 0.899 1.00 0.00 O ATOM 1278 CB GLN A 82 3.259 -1.385 0.213 1.00 0.00 C ATOM 1279 CG GLN A 82 2.626 -0.365 -0.719 1.00 0.00 C ATOM 1280 CD GLN A 82 3.185 1.030 -0.522 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.051 1.476 -1.275 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.692 1.728 0.494 1.00 0.00 N ATOM 0 H GLN A 82 3.885 -2.237 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 82 3.538 -3.499 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.870 -1.235 1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.334 -1.207 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.786 -0.674 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.549 -0.347 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.975 1.319 1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.030 2.673 0.675 1.00 0.00 H new ATOM 1291 N LEU A 83 0.818 -2.917 -1.236 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.613 -3.177 -1.302 1.00 0.00 C ATOM 1293 C LEU A 83 -0.889 -4.675 -1.201 1.00 0.00 C ATOM 1294 O LEU A 83 -1.724 -5.111 -0.409 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.187 -2.609 -2.605 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.539 -3.184 -3.034 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.615 -2.831 -2.018 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -2.919 -2.679 -4.420 1.00 0.00 C ATOM 0 H LEU A 83 1.219 -2.547 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.100 -2.685 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.289 -1.529 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.467 -2.783 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.454 -4.270 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.570 -3.248 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.347 -3.245 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.700 -1.747 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.883 -3.098 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.986 -1.591 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.160 -2.986 -5.140 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.180 -5.457 -2.009 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.347 -6.905 -2.009 1.00 0.00 C ATOM 1312 C GLU A 84 0.073 -7.500 -0.669 1.00 0.00 C ATOM 1313 O GLU A 84 -0.460 -8.522 -0.237 1.00 0.00 O ATOM 1314 CB GLU A 84 0.472 -7.533 -3.139 1.00 0.00 C ATOM 1315 CG GLU A 84 -0.235 -7.513 -4.484 1.00 0.00 C ATOM 1316 CD GLU A 84 0.334 -8.528 -5.457 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.494 -8.353 -5.886 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -0.380 -9.497 -5.790 1.00 0.00 O ATOM 0 H GLU A 84 0.515 -5.112 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.402 -7.125 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.420 -7.002 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.707 -8.564 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.296 -7.713 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.156 -6.516 -4.917 1.00 0.00 H new ATOM 1325 N ALA A 85 1.032 -6.853 -0.014 1.00 0.00 N ATOM 1326 CA ALA A 85 1.522 -7.317 1.278 1.00 0.00 C ATOM 1327 C ALA A 85 0.437 -7.216 2.344 1.00 0.00 C ATOM 1328 O ALA A 85 0.209 -8.157 3.104 1.00 0.00 O ATOM 1329 CB ALA A 85 2.749 -6.519 1.695 1.00 0.00 C ATOM 0 H ALA A 85 1.485 -6.006 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 85 1.801 -8.366 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.104 -6.876 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.535 -6.645 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.488 -5.464 1.772 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.231 -6.067 2.394 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.294 -5.844 3.366 1.00 0.00 C ATOM 1337 C ILE A 86 -2.468 -6.786 3.118 1.00 0.00 C ATOM 1338 O ILE A 86 -3.045 -7.336 4.056 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.796 -4.387 3.326 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.624 -3.417 3.484 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.834 -4.150 4.414 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.882 -2.054 2.879 1.00 0.00 C ATOM 0 H ILE A 86 -0.054 -5.277 1.773 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.873 -6.045 4.351 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.266 -4.209 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.401 -3.299 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.261 -3.851 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.177 -3.116 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.680 -4.820 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.389 -4.344 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.009 -1.419 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.075 -2.160 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.748 -1.600 3.361 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.816 -6.970 1.848 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.920 -7.847 1.479 1.00 0.00 C ATOM 1356 C ALA A 87 -3.578 -9.306 1.763 1.00 0.00 C ATOM 1357 O ALA A 87 -4.360 -10.028 2.382 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.272 -7.663 0.010 1.00 0.00 C ATOM 0 H ALA A 87 -2.349 -6.524 1.058 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.785 -7.577 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.098 -8.324 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.565 -6.628 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.405 -7.905 -0.605 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.404 -9.732 1.309 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.957 -11.104 1.516 1.00 0.00 C ATOM 1366 C ARG A 88 -1.833 -11.416 3.004 1.00 0.00 C ATOM 1367 O ARG A 88 -2.244 -12.483 3.460 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.613 -11.336 0.821 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.744 -11.745 -0.637 1.00 0.00 C ATOM 1370 CD ARG A 88 0.600 -12.138 -1.228 1.00 0.00 C ATOM 1371 NE ARG A 88 0.452 -12.960 -2.426 1.00 0.00 N ATOM 1372 CZ ARG A 88 0.156 -14.257 -2.403 1.00 0.00 C ATOM 1373 NH1 ARG A 88 -0.027 -14.883 -1.247 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.041 -14.931 -3.540 1.00 0.00 N ATOM 0 H ARG A 88 -1.745 -9.147 0.795 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.702 -11.772 1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.020 -10.424 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.064 -12.109 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.438 -12.581 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.168 -10.921 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.165 -11.239 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.178 -12.684 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 88 0.583 -12.514 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.059 -14.370 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.254 -15.877 -1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.180 -14.455 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.186 -15.925 -3.523 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.266 -10.478 3.754 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.089 -10.652 5.191 1.00 0.00 C ATOM 1390 C GLU A 89 -2.434 -10.842 5.886 1.00 0.00 C ATOM 1391 O GLU A 89 -2.613 -11.776 6.668 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.361 -9.446 5.787 1.00 0.00 C ATOM 1393 CG GLU A 89 1.152 -9.587 5.788 1.00 0.00 C ATOM 1394 CD GLU A 89 1.801 -8.899 6.973 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.845 -7.651 6.983 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.265 -9.608 7.890 1.00 0.00 O ATOM 0 H GLU A 89 -0.921 -9.589 3.391 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.487 -11.547 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.634 -8.553 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.704 -9.295 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.415 -10.645 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.553 -9.168 4.865 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.375 -9.951 5.594 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.704 -10.019 6.190 1.00 0.00 C ATOM 1405 C ALA A 90 -5.387 -11.341 5.857 1.00 0.00 C ATOM 1406 O ALA A 90 -6.169 -11.864 6.651 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.554 -8.850 5.718 1.00 0.00 C ATOM 0 H ALA A 90 -3.242 -9.173 4.948 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.594 -9.960 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.543 -8.913 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.080 -7.913 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.649 -8.884 4.633 1.00 0.00 H new ATOM 1413 N SER A 91 -5.086 -11.877 4.679 1.00 0.00 N ATOM 1414 CA SER A 91 -5.671 -13.140 4.242 1.00 0.00 C ATOM 1415 C SER A 91 -5.084 -14.310 5.026 1.00 0.00 C ATOM 1416 O SER A 91 -5.785 -15.272 5.342 1.00 0.00 O ATOM 1417 CB SER A 91 -5.438 -13.342 2.743 1.00 0.00 C ATOM 1418 OG SER A 91 -6.621 -13.089 2.004 1.00 0.00 O ATOM 0 H SER A 91 -4.441 -11.457 4.010 1.00 0.00 H new ATOM 0 HA SER A 91 -6.744 -13.102 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.644 -12.678 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.101 -14.362 2.558 1.00 0.00 H new ATOM 0 HG SER A 91 -6.445 -13.223 1.049 1.00 0.00 H new ATOM 1424 N ALA A 92 -3.795 -14.220 5.337 1.00 0.00 N ATOM 1425 CA ALA A 92 -3.115 -15.271 6.083 1.00 0.00 C ATOM 1426 C ALA A 92 -3.611 -15.330 7.524 1.00 0.00 C ATOM 1427 O ALA A 92 -4.025 -16.384 8.006 1.00 0.00 O ATOM 1428 CB ALA A 92 -1.610 -15.052 6.049 1.00 0.00 C ATOM 0 H ALA A 92 -3.201 -13.430 5.084 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.343 -16.226 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.114 -15.844 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.263 -15.068 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.373 -14.087 6.497 1.00 0.00 H new ATOM 1434 N TRP A 93 -3.567 -14.190 8.207 1.00 0.00 N ATOM 1435 CA TRP A 93 -4.013 -14.111 9.595 1.00 0.00 C ATOM 1436 C TRP A 93 -5.504 -14.420 9.714 1.00 0.00 C ATOM 1437 O TRP A 93 -5.999 -14.717 10.801 1.00 0.00 O ATOM 1438 CB TRP A 93 -3.722 -12.723 10.170 1.00 0.00 C ATOM 1439 CG TRP A 93 -2.379 -12.185 9.779 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -2.112 -10.960 9.241 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -1.121 -12.858 9.894 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -0.763 -10.829 9.014 1.00 0.00 N ATOM 1443 CE2 TRP A 93 -0.133 -11.981 9.407 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -0.734 -14.116 10.362 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 1.216 -12.324 9.375 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 0.606 -14.455 10.330 1.00 0.00 C ATOM 1447 CH2 TRP A 93 1.567 -13.562 9.839 1.00 0.00 C ATOM 0 H TRP A 93 -3.227 -13.308 7.823 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.461 -14.858 10.166 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.494 -12.030 9.835 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -3.784 -12.768 11.257 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.852 -10.204 9.025 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.305 -10.008 8.618 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.468 -14.811 10.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.959 -11.637 8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 0.917 -15.425 10.690 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.606 -13.857 9.827 1.00 0.00 H new ATOM 1458 N SER A 94 -6.218 -14.347 8.591 1.00 0.00 N ATOM 1459 CA SER A 94 -7.652 -14.618 8.575 1.00 0.00 C ATOM 1460 C SER A 94 -7.974 -15.931 9.284 1.00 0.00 C ATOM 1461 O SER A 94 -7.079 -16.720 9.587 1.00 0.00 O ATOM 1462 CB SER A 94 -8.165 -14.666 7.134 1.00 0.00 C ATOM 1463 OG SER A 94 -7.904 -15.927 6.541 1.00 0.00 O ATOM 0 H SER A 94 -5.826 -14.102 7.682 1.00 0.00 H new ATOM 0 HA SER A 94 -8.152 -13.810 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.237 -14.469 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.688 -13.880 6.549 1.00 0.00 H new ATOM 0 HG SER A 94 -6.956 -15.985 6.300 1.00 0.00 H new ATOM 1469 N LEU A 95 -9.258 -16.156 9.547 1.00 0.00 N ATOM 1470 CA LEU A 95 -9.699 -17.371 10.222 1.00 0.00 C ATOM 1471 C LEU A 95 -9.107 -17.457 11.626 1.00 0.00 C ATOM 1472 O LEU A 95 -8.809 -18.545 12.119 1.00 0.00 O ATOM 1473 CB LEU A 95 -9.303 -18.606 9.408 1.00 0.00 C ATOM 1474 CG LEU A 95 -10.395 -19.668 9.270 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -10.268 -20.395 7.940 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -10.329 -20.653 10.427 1.00 0.00 C ATOM 0 H LEU A 95 -10.011 -15.513 9.303 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.785 -17.337 10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.003 -18.284 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.429 -19.063 9.872 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.365 -19.171 9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.053 -21.147 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.366 -19.680 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.294 -20.880 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.113 -21.402 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.356 -21.144 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.471 -20.120 11.367 1.00 0.00 H new ATOM 1488 N ARG A 96 -8.941 -16.302 12.263 1.00 0.00 N ATOM 1489 CA ARG A 96 -8.386 -16.245 13.610 1.00 0.00 C ATOM 1490 C ARG A 96 -8.805 -14.958 14.317 1.00 0.00 C ATOM 1491 O ARG A 96 -8.095 -14.458 15.189 1.00 0.00 O ATOM 1492 CB ARG A 96 -6.858 -16.343 13.558 1.00 0.00 C ATOM 1493 CG ARG A 96 -6.311 -17.623 14.171 1.00 0.00 C ATOM 1494 CD ARG A 96 -5.339 -18.323 13.234 1.00 0.00 C ATOM 1495 NE ARG A 96 -5.506 -19.775 13.256 1.00 0.00 N ATOM 1496 CZ ARG A 96 -4.591 -20.634 12.813 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -3.444 -20.193 12.312 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -4.824 -21.938 12.871 1.00 0.00 N ATOM 0 H ARG A 96 -9.183 -15.393 11.868 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.777 -17.091 14.176 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.533 -16.279 12.520 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.429 -15.487 14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.809 -17.391 15.110 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.136 -18.295 14.408 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.487 -17.956 12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.317 -18.071 13.518 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.375 -20.152 13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.260 -19.191 12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.747 -20.856 11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.704 -22.282 13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.123 -22.597 12.532 1.00 0.00 H new ATOM 1512 N GLU A 97 -9.963 -14.428 13.934 1.00 0.00 N ATOM 1513 CA GLU A 97 -10.478 -13.201 14.531 1.00 0.00 C ATOM 1514 C GLU A 97 -9.479 -12.057 14.382 1.00 0.00 C ATOM 1515 O GLU A 97 -9.404 -11.171 15.233 1.00 0.00 O ATOM 1516 CB GLU A 97 -10.799 -13.424 16.010 1.00 0.00 C ATOM 1517 CG GLU A 97 -12.217 -13.911 16.258 1.00 0.00 C ATOM 1518 CD GLU A 97 -12.470 -14.253 17.713 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -12.221 -15.413 18.102 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -12.917 -13.360 18.464 1.00 0.00 O ATOM 0 H GLU A 97 -10.562 -14.829 13.213 1.00 0.00 H new ATOM 0 HA GLU A 97 -11.392 -12.929 14.004 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.097 -14.150 16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.644 -12.491 16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.922 -13.142 15.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.408 -14.791 15.643 1.00 0.00 H new ATOM 1527 N TRP A 98 -8.713 -12.084 13.296 1.00 0.00 N ATOM 1528 CA TRP A 98 -7.720 -11.049 13.036 1.00 0.00 C ATOM 1529 C TRP A 98 -8.271 -9.991 12.085 1.00 0.00 C ATOM 1530 O TRP A 98 -8.242 -8.797 12.449 1.00 0.00 O ATOM 1531 CB TRP A 98 -6.449 -11.666 12.449 1.00 0.00 C ATOM 1532 CG TRP A 98 -5.289 -10.718 12.415 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -4.337 -10.553 13.379 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -4.959 -9.804 11.363 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -3.435 -9.592 12.991 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -3.795 -9.117 11.757 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -5.534 -9.500 10.126 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -3.197 -8.146 10.958 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -4.940 -8.536 9.334 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -3.782 -7.869 9.752 1.00 0.00 C ATOM 1541 OXT TRP A 98 -8.726 -10.366 10.985 1.00 0.00 O ATOM 0 H TRP A 98 -8.761 -12.811 12.582 1.00 0.00 H new ATOM 0 HA TRP A 98 -7.478 -10.569 13.984 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -6.175 -12.543 13.036 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.656 -12.012 11.436 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -4.298 -11.098 14.311 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.628 -9.282 13.533 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -6.427 -10.010 9.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.304 -7.630 11.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -5.376 -8.293 8.376 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.341 -7.121 9.110 1.00 0.00 H new TER 1552 TRP A 98