USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 48 HIS : no HD1:sc= 0.348 K(o=1.6,f=-6.7!) USER MOD Set 1.2: A 52 THR OG1 : rot 135:sc= 1.3 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.85! X(o=-0.49!,f=-0.24) USER MOD Set 2.2: A 46 SER OG : rot 69:sc= 0.359 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.0808 K(o=-1.6,f=-3.5!) USER MOD Set 3.2: A 42 GLN : amide:sc= -1.54 K(o=-1.6,f=-3.5) USER MOD Set 4.1: A 12 MET CE :methyl 153:sc= -0.0847 (180deg=-0.466) USER MOD Set 4.2: A 17 CYS SG : rot 180:sc= 0.00263 USER MOD Set 4.3: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 1 MET N :NH3+ -170:sc= 1.08 (180deg=0.575) USER MOD Set 5.2: A 3 GLN : amide:sc= 0.461 K(o=1.5,f=-5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -55:sc= 0.177 USER MOD Single : A 6 ASN : amide:sc= -0.0089 X(o=-0.0089,f=0) USER MOD Single : A 8 GLN : amide:sc= 0.786 K(o=0.79,f=-1.9) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.754 USER MOD Single : A 19 SER OG : rot 42:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.064 (180deg=-0.329) USER MOD Single : A 33 SER OG : rot -65:sc= 0.608 USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00757 USER MOD Single : A 35 GLN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : A 47 TYR OH : rot 142:sc= 0.899 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.263 -11.762 -12.854 1.00 6.14 N ATOM 2 CA MET A 1 -4.174 -13.200 -12.496 1.00 5.28 C ATOM 3 C MET A 1 -4.316 -13.278 -10.981 1.00 3.86 C ATOM 4 O MET A 1 -5.389 -12.937 -10.506 1.00 3.66 O ATOM 5 CB MET A 1 -2.884 -13.843 -13.031 1.00 6.00 C ATOM 6 CG MET A 1 -2.839 -13.892 -14.561 1.00 7.31 C ATOM 7 SD MET A 1 -1.290 -14.589 -15.178 1.00 8.75 S ATOM 8 CE MET A 1 -1.578 -14.499 -16.967 1.00 9.78 C ATOM 0 H1 MET A 1 -4.342 -11.666 -13.887 1.00 6.14 H new ATOM 0 H2 MET A 1 -5.101 -11.343 -12.402 1.00 6.14 H new ATOM 0 H3 MET A 1 -3.409 -11.269 -12.524 1.00 6.14 H new ATOM 0 HA MET A 1 -4.969 -13.779 -12.966 1.00 5.28 H new ATOM 0 HB2 MET A 1 -2.024 -13.282 -12.664 1.00 6.00 H new ATOM 0 HB3 MET A 1 -2.797 -14.855 -12.636 1.00 6.00 H new ATOM 0 HG2 MET A 1 -3.675 -14.488 -14.928 1.00 7.31 H new ATOM 0 HG3 MET A 1 -2.966 -12.885 -14.959 1.00 7.31 H new ATOM 0 HE1 MET A 1 -0.710 -14.893 -17.496 1.00 9.78 H new ATOM 0 HE2 MET A 1 -2.458 -15.089 -17.224 1.00 9.78 H new ATOM 0 HE3 MET A 1 -1.739 -13.461 -17.258 1.00 9.78 H new ATOM 20 N ALA A 2 -3.231 -13.494 -10.223 1.00 3.58 N ATOM 21 CA ALA A 2 -2.981 -12.620 -9.070 1.00 2.79 C ATOM 22 C ALA A 2 -3.060 -11.158 -9.555 1.00 2.10 C ATOM 23 O ALA A 2 -2.655 -10.874 -10.688 1.00 2.24 O ATOM 24 CB ALA A 2 -1.602 -12.956 -8.493 1.00 3.62 C ATOM 0 H ALA A 2 -2.542 -14.230 -10.376 1.00 3.58 H new ATOM 0 HA ALA A 2 -3.720 -12.765 -8.282 1.00 2.79 H new ATOM 0 HB1 ALA A 2 -1.401 -12.315 -7.635 1.00 3.62 H new ATOM 0 HB2 ALA A 2 -1.584 -14.000 -8.179 1.00 3.62 H new ATOM 0 HB3 ALA A 2 -0.839 -12.793 -9.255 1.00 3.62 H new ATOM 30 N GLN A 3 -3.653 -10.250 -8.782 1.00 1.73 N ATOM 31 CA GLN A 3 -4.154 -8.980 -9.319 1.00 1.08 C ATOM 32 C GLN A 3 -3.464 -7.809 -8.611 1.00 0.97 C ATOM 33 O GLN A 3 -4.115 -6.958 -8.015 1.00 1.30 O ATOM 34 CB GLN A 3 -5.697 -8.996 -9.208 1.00 1.39 C ATOM 35 CG GLN A 3 -6.401 -8.075 -10.222 1.00 1.93 C ATOM 36 CD GLN A 3 -6.367 -8.585 -11.672 1.00 3.16 C ATOM 37 OE1 GLN A 3 -5.659 -9.521 -12.035 1.00 3.45 O ATOM 38 NE2 GLN A 3 -7.118 -7.980 -12.571 1.00 4.43 N ATOM 0 H GLN A 3 -3.800 -10.368 -7.780 1.00 1.73 H new ATOM 0 HA GLN A 3 -3.913 -8.849 -10.374 1.00 1.08 H new ATOM 0 HB2 GLN A 3 -6.052 -10.017 -9.350 1.00 1.39 H new ATOM 0 HB3 GLN A 3 -5.983 -8.697 -8.200 1.00 1.39 H new ATOM 0 HG2 GLN A 3 -7.440 -7.948 -9.919 1.00 1.93 H new ATOM 0 HG3 GLN A 3 -5.935 -7.090 -10.185 1.00 1.93 H new ATOM 0 HE21 GLN A 3 -7.715 -7.200 -12.295 1.00 4.43 H new ATOM 0 HE22 GLN A 3 -7.102 -8.292 -13.542 1.00 4.43 H new ATOM 47 N THR A 4 -2.126 -7.810 -8.575 1.00 0.92 N ATOM 48 CA THR A 4 -1.394 -6.990 -7.606 1.00 0.87 C ATOM 49 C THR A 4 -1.059 -5.612 -8.151 1.00 1.02 C ATOM 50 O THR A 4 -0.439 -5.458 -9.199 1.00 1.41 O ATOM 51 CB THR A 4 -0.192 -7.748 -7.020 1.00 1.02 C ATOM 52 OG1 THR A 4 0.383 -6.954 -6.022 1.00 1.23 O ATOM 53 CG2 THR A 4 0.900 -8.126 -8.021 1.00 1.45 C ATOM 0 H THR A 4 -1.536 -8.362 -9.197 1.00 0.92 H new ATOM 0 HA THR A 4 -2.058 -6.798 -6.763 1.00 0.87 H new ATOM 0 HB THR A 4 -0.590 -8.691 -6.646 1.00 1.02 H new ATOM 0 HG1 THR A 4 0.606 -6.074 -6.392 1.00 1.23 H new ATOM 0 HG21 THR A 4 1.700 -8.656 -7.504 1.00 1.45 H new ATOM 0 HG22 THR A 4 0.479 -8.769 -8.794 1.00 1.45 H new ATOM 0 HG23 THR A 4 1.301 -7.223 -8.480 1.00 1.45 H new ATOM 61 N ILE A 5 -1.396 -4.601 -7.354 1.00 1.00 N ATOM 62 CA ILE A 5 -0.778 -3.280 -7.438 1.00 1.26 C ATOM 63 C ILE A 5 0.694 -3.458 -7.066 1.00 0.87 C ATOM 64 O ILE A 5 1.000 -4.175 -6.111 1.00 0.57 O ATOM 65 CB ILE A 5 -1.475 -2.271 -6.489 1.00 1.64 C ATOM 66 CG1 ILE A 5 -3.020 -2.308 -6.537 1.00 2.21 C ATOM 67 CG2 ILE A 5 -0.969 -0.845 -6.775 1.00 1.89 C ATOM 68 CD1 ILE A 5 -3.640 -2.156 -7.932 1.00 1.89 C ATOM 0 H ILE A 5 -2.109 -4.675 -6.628 1.00 1.00 H new ATOM 0 HA ILE A 5 -0.878 -2.872 -8.444 1.00 1.26 H new ATOM 0 HB ILE A 5 -1.205 -2.578 -5.478 1.00 1.64 H new ATOM 0 HG12 ILE A 5 -3.357 -3.252 -6.109 1.00 2.21 H new ATOM 0 HG13 ILE A 5 -3.405 -1.513 -5.898 1.00 2.21 H new ATOM 0 HG21 ILE A 5 -1.463 -0.142 -6.104 1.00 1.89 H new ATOM 0 HG22 ILE A 5 0.108 -0.802 -6.615 1.00 1.89 H new ATOM 0 HG23 ILE A 5 -1.193 -0.580 -7.808 1.00 1.89 H new ATOM 0 HD11 ILE A 5 -4.726 -2.196 -7.854 1.00 1.89 H new ATOM 0 HD12 ILE A 5 -3.342 -1.199 -8.360 1.00 1.89 H new ATOM 0 HD13 ILE A 5 -3.293 -2.965 -8.575 1.00 1.89 H new ATOM 80 N ASN A 6 1.593 -2.847 -7.831 1.00 1.16 N ATOM 81 CA ASN A 6 3.012 -2.737 -7.502 1.00 0.93 C ATOM 82 C ASN A 6 3.528 -1.375 -7.981 1.00 0.82 C ATOM 83 O ASN A 6 3.361 -1.005 -9.145 1.00 0.98 O ATOM 84 CB ASN A 6 3.829 -3.922 -8.052 1.00 0.99 C ATOM 85 CG ASN A 6 3.843 -4.018 -9.574 1.00 1.18 C ATOM 86 OD1 ASN A 6 4.829 -3.703 -10.230 1.00 1.97 O ATOM 87 ND2 ASN A 6 2.752 -4.455 -10.179 1.00 1.49 N ATOM 0 H ASN A 6 1.351 -2.404 -8.717 1.00 1.16 H new ATOM 0 HA ASN A 6 3.138 -2.790 -6.421 1.00 0.93 H new ATOM 0 HB2 ASN A 6 4.855 -3.838 -7.695 1.00 0.99 H new ATOM 0 HB3 ASN A 6 3.424 -4.848 -7.644 1.00 0.99 H new ATOM 0 HD21 ASN A 6 2.729 -4.531 -11.196 1.00 1.49 H new ATOM 0 HD22 ASN A 6 1.934 -4.716 -9.629 1.00 1.49 H new ATOM 94 N LEU A 7 4.087 -0.597 -7.054 1.00 0.73 N ATOM 95 CA LEU A 7 4.444 0.809 -7.246 1.00 0.69 C ATOM 96 C LEU A 7 5.499 1.241 -6.216 1.00 0.63 C ATOM 97 O LEU A 7 5.907 0.442 -5.382 1.00 0.60 O ATOM 98 CB LEU A 7 3.152 1.662 -7.298 1.00 0.75 C ATOM 99 CG LEU A 7 2.507 2.131 -5.973 1.00 0.83 C ATOM 100 CD1 LEU A 7 1.128 2.725 -6.284 1.00 0.77 C ATOM 101 CD2 LEU A 7 2.346 1.022 -4.922 1.00 0.99 C ATOM 0 H LEU A 7 4.311 -0.939 -6.119 1.00 0.73 H new ATOM 0 HA LEU A 7 4.933 0.970 -8.206 1.00 0.69 H new ATOM 0 HB2 LEU A 7 3.369 2.551 -7.891 1.00 0.75 H new ATOM 0 HB3 LEU A 7 2.402 1.090 -7.844 1.00 0.75 H new ATOM 0 HG LEU A 7 3.184 2.867 -5.540 1.00 0.83 H new ATOM 0 HD11 LEU A 7 0.659 3.061 -5.359 1.00 0.77 H new ATOM 0 HD12 LEU A 7 1.241 3.571 -6.962 1.00 0.77 H new ATOM 0 HD13 LEU A 7 0.502 1.966 -6.753 1.00 0.77 H new ATOM 0 HD21 LEU A 7 1.886 1.435 -4.024 1.00 0.99 H new ATOM 0 HD22 LEU A 7 1.713 0.230 -5.322 1.00 0.99 H new ATOM 0 HD23 LEU A 7 3.325 0.612 -4.673 1.00 0.99 H new ATOM 113 N GLN A 8 5.974 2.480 -6.271 1.00 0.62 N ATOM 114 CA GLN A 8 6.817 3.093 -5.244 1.00 0.60 C ATOM 115 C GLN A 8 5.982 3.988 -4.321 1.00 0.65 C ATOM 116 O GLN A 8 4.919 4.480 -4.705 1.00 0.78 O ATOM 117 CB GLN A 8 7.969 3.855 -5.914 1.00 0.61 C ATOM 118 CG GLN A 8 9.205 2.977 -6.117 1.00 0.70 C ATOM 119 CD GLN A 8 10.278 3.724 -6.911 1.00 0.88 C ATOM 120 OE1 GLN A 8 10.341 3.688 -8.135 1.00 1.08 O ATOM 121 NE2 GLN A 8 11.135 4.473 -6.252 1.00 1.12 N ATOM 0 H GLN A 8 5.779 3.106 -7.052 1.00 0.62 H new ATOM 0 HA GLN A 8 7.252 2.317 -4.614 1.00 0.60 H new ATOM 0 HB2 GLN A 8 7.636 4.238 -6.879 1.00 0.61 H new ATOM 0 HB3 GLN A 8 8.235 4.718 -5.303 1.00 0.61 H new ATOM 0 HG2 GLN A 8 9.606 2.676 -5.149 1.00 0.70 H new ATOM 0 HG3 GLN A 8 8.926 2.064 -6.644 1.00 0.70 H new ATOM 0 HE21 GLN A 8 11.098 4.515 -5.234 1.00 1.12 H new ATOM 0 HE22 GLN A 8 11.837 5.012 -6.759 1.00 1.12 H new ATOM 130 N LEU A 9 6.456 4.190 -3.090 1.00 0.64 N ATOM 131 CA LEU A 9 5.693 4.855 -2.027 1.00 0.67 C ATOM 132 C LEU A 9 6.531 6.004 -1.455 1.00 0.91 C ATOM 133 O LEU A 9 7.688 5.806 -1.098 1.00 1.09 O ATOM 134 CB LEU A 9 5.303 3.800 -0.966 1.00 0.59 C ATOM 135 CG LEU A 9 4.080 4.145 -0.086 1.00 0.79 C ATOM 136 CD1 LEU A 9 3.754 2.931 0.795 1.00 2.07 C ATOM 137 CD2 LEU A 9 4.257 5.370 0.826 1.00 1.72 C ATOM 0 H LEU A 9 7.388 3.895 -2.798 1.00 0.64 H new ATOM 0 HA LEU A 9 4.770 5.292 -2.407 1.00 0.67 H new ATOM 0 HB2 LEU A 9 5.105 2.857 -1.476 1.00 0.59 H new ATOM 0 HB3 LEU A 9 6.160 3.635 -0.313 1.00 0.59 H new ATOM 0 HG LEU A 9 3.276 4.397 -0.778 1.00 0.79 H new ATOM 0 HD11 LEU A 9 2.892 3.158 1.423 1.00 2.07 H new ATOM 0 HD12 LEU A 9 3.526 2.073 0.162 1.00 2.07 H new ATOM 0 HD13 LEU A 9 4.612 2.699 1.426 1.00 2.07 H new ATOM 0 HD21 LEU A 9 3.346 5.529 1.402 1.00 1.72 H new ATOM 0 HD22 LEU A 9 5.091 5.200 1.506 1.00 1.72 H new ATOM 0 HD23 LEU A 9 4.460 6.251 0.217 1.00 1.72 H new ATOM 149 N GLU A 10 5.958 7.208 -1.383 1.00 1.15 N ATOM 150 CA GLU A 10 6.690 8.441 -1.101 1.00 1.43 C ATOM 151 C GLU A 10 5.981 9.359 -0.107 1.00 1.04 C ATOM 152 O GLU A 10 4.760 9.442 -0.071 1.00 0.80 O ATOM 153 CB GLU A 10 6.903 9.204 -2.413 1.00 1.90 C ATOM 154 CG GLU A 10 7.997 8.541 -3.249 1.00 2.98 C ATOM 155 CD GLU A 10 8.613 9.559 -4.191 1.00 3.53 C ATOM 156 OE1 GLU A 10 9.560 10.246 -3.747 1.00 4.81 O ATOM 157 OE2 GLU A 10 8.184 9.617 -5.362 1.00 3.55 O ATOM 0 H GLU A 10 4.958 7.354 -1.521 1.00 1.15 H new ATOM 0 HA GLU A 10 7.636 8.149 -0.645 1.00 1.43 H new ATOM 0 HB2 GLU A 10 5.972 9.232 -2.979 1.00 1.90 H new ATOM 0 HB3 GLU A 10 7.177 10.237 -2.199 1.00 1.90 H new ATOM 0 HG2 GLU A 10 8.764 8.125 -2.596 1.00 2.98 H new ATOM 0 HG3 GLU A 10 7.579 7.711 -3.819 1.00 2.98 H new ATOM 164 N GLY A 11 6.770 10.103 0.669 1.00 1.54 N ATOM 165 CA GLY A 11 6.313 11.072 1.667 1.00 1.72 C ATOM 166 C GLY A 11 7.213 11.044 2.892 1.00 2.12 C ATOM 167 O GLY A 11 7.928 12.008 3.148 1.00 2.48 O ATOM 0 H GLY A 11 7.787 10.045 0.618 1.00 1.54 H new ATOM 0 HA2 GLY A 11 6.309 12.073 1.235 1.00 1.72 H new ATOM 0 HA3 GLY A 11 5.287 10.846 1.958 1.00 1.72 H new ATOM 171 N MET A 12 7.257 9.901 3.585 1.00 2.54 N ATOM 172 CA MET A 12 8.369 9.578 4.489 1.00 2.89 C ATOM 173 C MET A 12 9.403 8.681 3.796 1.00 1.20 C ATOM 174 O MET A 12 9.043 7.884 2.937 1.00 1.88 O ATOM 175 CB MET A 12 7.876 8.956 5.805 1.00 4.75 C ATOM 176 CG MET A 12 7.040 7.678 5.668 1.00 5.08 C ATOM 177 SD MET A 12 7.121 6.558 7.100 1.00 6.62 S ATOM 178 CE MET A 12 6.829 7.724 8.460 1.00 8.90 C ATOM 0 H MET A 12 6.535 9.182 3.538 1.00 2.54 H new ATOM 0 HA MET A 12 8.861 10.516 4.746 1.00 2.89 H new ATOM 0 HB2 MET A 12 8.743 8.735 6.428 1.00 4.75 H new ATOM 0 HB3 MET A 12 7.283 9.700 6.337 1.00 4.75 H new ATOM 0 HG2 MET A 12 6.000 7.957 5.501 1.00 5.08 H new ATOM 0 HG3 MET A 12 7.371 7.137 4.782 1.00 5.08 H new ATOM 0 HE1 MET A 12 6.381 7.196 9.302 1.00 8.90 H new ATOM 0 HE2 MET A 12 7.776 8.165 8.771 1.00 8.90 H new ATOM 0 HE3 MET A 12 6.154 8.512 8.125 1.00 8.90 H new ATOM 188 N ARG A 13 10.664 8.761 4.230 1.00 1.76 N ATOM 189 CA ARG A 13 11.738 7.794 3.950 1.00 2.54 C ATOM 190 C ARG A 13 12.474 7.578 5.279 1.00 2.84 C ATOM 191 O ARG A 13 13.516 8.175 5.532 1.00 3.48 O ATOM 192 CB ARG A 13 12.674 8.307 2.835 1.00 4.35 C ATOM 193 CG ARG A 13 12.054 8.221 1.428 1.00 4.87 C ATOM 194 CD ARG A 13 13.058 8.701 0.367 1.00 5.99 C ATOM 195 NE ARG A 13 12.639 8.354 -0.999 1.00 7.05 N ATOM 196 CZ ARG A 13 11.841 9.005 -1.832 1.00 7.48 C ATOM 197 NH1 ARG A 13 11.241 10.138 -1.543 1.00 7.00 N ATOM 198 NH2 ARG A 13 11.615 8.510 -3.022 1.00 8.91 N ATOM 0 H ARG A 13 10.982 9.535 4.813 1.00 1.76 H new ATOM 0 HA ARG A 13 11.341 6.849 3.578 1.00 2.54 H new ATOM 0 HB2 ARG A 13 12.941 9.343 3.043 1.00 4.35 H new ATOM 0 HB3 ARG A 13 13.598 7.730 2.853 1.00 4.35 H new ATOM 0 HG2 ARG A 13 11.757 7.194 1.217 1.00 4.87 H new ATOM 0 HG3 ARG A 13 11.151 8.830 1.384 1.00 4.87 H new ATOM 0 HD2 ARG A 13 13.175 9.782 0.445 1.00 5.99 H new ATOM 0 HD3 ARG A 13 14.034 8.259 0.568 1.00 5.99 H new ATOM 0 HE ARG A 13 13.021 7.480 -1.360 1.00 7.05 H new ATOM 0 HH11 ARG A 13 11.378 10.569 -0.629 1.00 7.00 H new ATOM 0 HH12 ARG A 13 10.639 10.587 -2.233 1.00 7.00 H new ATOM 0 HH21 ARG A 13 12.052 7.631 -3.300 1.00 8.91 H new ATOM 0 HH22 ARG A 13 11.002 9.003 -3.671 1.00 8.91 H new ATOM 212 N CYS A 14 11.798 6.877 6.199 1.00 2.75 N ATOM 213 CA CYS A 14 11.973 6.975 7.662 1.00 2.64 C ATOM 214 C CYS A 14 11.633 5.626 8.342 1.00 3.28 C ATOM 215 O CYS A 14 12.085 4.582 7.883 1.00 4.83 O ATOM 216 CB CYS A 14 11.109 8.146 8.206 1.00 2.58 C ATOM 217 SG CYS A 14 11.411 9.733 7.374 1.00 3.99 S ATOM 0 H CYS A 14 11.084 6.197 5.938 1.00 2.75 H new ATOM 0 HA CYS A 14 13.016 7.189 7.897 1.00 2.64 H new ATOM 0 HB2 CYS A 14 10.056 7.887 8.101 1.00 2.58 H new ATOM 0 HB3 CYS A 14 11.303 8.263 9.272 1.00 2.58 H new ATOM 0 HG CYS A 14 10.646 10.647 7.892 1.00 3.99 H new ATOM 223 N ALA A 15 10.765 5.608 9.361 1.00 2.51 N ATOM 224 CA ALA A 15 10.168 4.393 9.921 1.00 3.21 C ATOM 225 C ALA A 15 8.704 4.635 10.339 1.00 1.98 C ATOM 226 O ALA A 15 8.344 5.765 10.652 1.00 2.75 O ATOM 227 CB ALA A 15 11.022 3.931 11.109 1.00 4.99 C ATOM 0 H ALA A 15 10.452 6.459 9.829 1.00 2.51 H new ATOM 0 HA ALA A 15 10.151 3.610 9.163 1.00 3.21 H new ATOM 0 HB1 ALA A 15 10.590 3.026 11.537 1.00 4.99 H new ATOM 0 HB2 ALA A 15 12.036 3.723 10.769 1.00 4.99 H new ATOM 0 HB3 ALA A 15 11.047 4.715 11.866 1.00 4.99 H new ATOM 233 N ALA A 16 7.892 3.567 10.318 1.00 1.89 N ATOM 234 CA ALA A 16 6.541 3.365 10.871 1.00 1.15 C ATOM 235 C ALA A 16 5.500 3.228 9.753 1.00 1.10 C ATOM 236 O ALA A 16 5.073 2.121 9.422 1.00 1.29 O ATOM 237 CB ALA A 16 6.147 4.404 11.940 1.00 1.87 C ATOM 0 H ALA A 16 8.207 2.715 9.854 1.00 1.89 H new ATOM 0 HA ALA A 16 6.564 2.418 11.410 1.00 1.15 H new ATOM 0 HB1 ALA A 16 5.141 4.191 12.301 1.00 1.87 H new ATOM 0 HB2 ALA A 16 6.849 4.354 12.772 1.00 1.87 H new ATOM 0 HB3 ALA A 16 6.173 5.403 11.504 1.00 1.87 H new ATOM 243 N CYS A 17 5.083 4.350 9.168 1.00 1.01 N ATOM 244 CA CYS A 17 3.856 4.468 8.399 1.00 0.90 C ATOM 245 C CYS A 17 3.788 3.591 7.150 1.00 0.86 C ATOM 246 O CYS A 17 2.684 3.235 6.780 1.00 0.87 O ATOM 247 CB CYS A 17 3.616 5.942 8.079 1.00 1.04 C ATOM 248 SG CYS A 17 3.457 6.878 9.629 1.00 1.75 S ATOM 0 H CYS A 17 5.608 5.223 9.220 1.00 1.01 H new ATOM 0 HA CYS A 17 3.051 4.080 9.023 1.00 0.90 H new ATOM 0 HB2 CYS A 17 4.442 6.336 7.486 1.00 1.04 H new ATOM 0 HB3 CYS A 17 2.712 6.053 7.480 1.00 1.04 H new ATOM 0 HG CYS A 17 3.255 8.133 9.359 1.00 1.75 H new ATOM 254 N ALA A 18 4.910 3.199 6.541 1.00 0.93 N ATOM 255 CA ALA A 18 4.911 2.292 5.391 1.00 0.95 C ATOM 256 C ALA A 18 4.274 0.936 5.749 1.00 0.86 C ATOM 257 O ALA A 18 3.209 0.593 5.245 1.00 0.75 O ATOM 258 CB ALA A 18 6.346 2.173 4.867 1.00 1.12 C ATOM 0 H ALA A 18 5.841 3.500 6.830 1.00 0.93 H new ATOM 0 HA ALA A 18 4.291 2.694 4.589 1.00 0.95 H new ATOM 0 HB1 ALA A 18 6.366 1.500 4.009 1.00 1.12 H new ATOM 0 HB2 ALA A 18 6.706 3.157 4.565 1.00 1.12 H new ATOM 0 HB3 ALA A 18 6.989 1.777 5.653 1.00 1.12 H new ATOM 264 N SER A 19 4.832 0.204 6.710 1.00 0.97 N ATOM 265 CA SER A 19 4.198 -1.043 7.165 1.00 0.94 C ATOM 266 C SER A 19 2.926 -0.756 7.998 1.00 0.79 C ATOM 267 O SER A 19 2.008 -1.563 8.055 1.00 0.75 O ATOM 268 CB SER A 19 5.229 -1.918 7.889 1.00 1.27 C ATOM 269 OG SER A 19 4.856 -3.280 7.885 1.00 1.81 O ATOM 0 H SER A 19 5.704 0.441 7.184 1.00 0.97 H new ATOM 0 HA SER A 19 3.852 -1.612 6.302 1.00 0.94 H new ATOM 0 HB2 SER A 19 6.201 -1.806 7.410 1.00 1.27 H new ATOM 0 HB3 SER A 19 5.339 -1.574 8.918 1.00 1.27 H new ATOM 0 HG SER A 19 4.504 -3.520 7.003 1.00 1.81 H new ATOM 275 N SER A 20 2.760 0.446 8.562 1.00 0.83 N ATOM 276 CA SER A 20 1.467 0.852 9.142 1.00 0.86 C ATOM 277 C SER A 20 0.350 1.070 8.092 1.00 0.75 C ATOM 278 O SER A 20 -0.835 1.023 8.439 1.00 0.85 O ATOM 279 CB SER A 20 1.649 2.102 10.009 1.00 1.08 C ATOM 280 OG SER A 20 0.830 2.054 11.162 1.00 1.42 O ATOM 0 H SER A 20 3.494 1.151 8.631 1.00 0.83 H new ATOM 0 HA SER A 20 1.131 0.019 9.760 1.00 0.86 H new ATOM 0 HB2 SER A 20 2.694 2.191 10.306 1.00 1.08 H new ATOM 0 HB3 SER A 20 1.407 2.990 9.425 1.00 1.08 H new ATOM 0 HG SER A 20 0.969 2.864 11.696 1.00 1.42 H new ATOM 286 N ILE A 21 0.696 1.296 6.816 1.00 0.69 N ATOM 287 CA ILE A 21 -0.214 1.233 5.661 1.00 0.81 C ATOM 288 C ILE A 21 -0.586 -0.229 5.415 1.00 0.82 C ATOM 289 O ILE A 21 -1.764 -0.554 5.547 1.00 0.88 O ATOM 290 CB ILE A 21 0.374 1.948 4.410 1.00 1.01 C ATOM 291 CG1 ILE A 21 0.418 3.485 4.594 1.00 1.10 C ATOM 292 CG2 ILE A 21 -0.414 1.577 3.144 1.00 1.05 C ATOM 293 CD1 ILE A 21 1.439 4.187 3.692 1.00 1.32 C ATOM 0 H ILE A 21 1.651 1.536 6.550 1.00 0.69 H new ATOM 0 HA ILE A 21 -1.128 1.785 5.880 1.00 0.81 H new ATOM 0 HB ILE A 21 1.401 1.601 4.292 1.00 1.01 H new ATOM 0 HG12 ILE A 21 -0.572 3.894 4.393 1.00 1.10 H new ATOM 0 HG13 ILE A 21 0.651 3.710 5.635 1.00 1.10 H new ATOM 0 HG21 ILE A 21 0.017 2.090 2.284 1.00 1.05 H new ATOM 0 HG22 ILE A 21 -0.364 0.500 2.987 1.00 1.05 H new ATOM 0 HG23 ILE A 21 -1.455 1.878 3.262 1.00 1.05 H new ATOM 0 HD11 ILE A 21 1.411 5.261 3.878 1.00 1.32 H new ATOM 0 HD12 ILE A 21 2.437 3.807 3.908 1.00 1.32 H new ATOM 0 HD13 ILE A 21 1.195 3.993 2.647 1.00 1.32 H new ATOM 305 N GLU A 22 0.369 -1.128 5.142 1.00 0.83 N ATOM 306 CA GLU A 22 0.014 -2.509 4.788 1.00 1.04 C ATOM 307 C GLU A 22 -0.744 -3.204 5.896 1.00 0.87 C ATOM 308 O GLU A 22 -1.700 -3.940 5.662 1.00 0.80 O ATOM 309 CB GLU A 22 1.237 -3.343 4.440 1.00 1.40 C ATOM 310 CG GLU A 22 2.107 -3.902 5.559 1.00 1.33 C ATOM 311 CD GLU A 22 3.406 -4.462 4.992 1.00 1.03 C ATOM 312 OE1 GLU A 22 3.335 -5.286 4.053 1.00 2.10 O ATOM 313 OE2 GLU A 22 4.467 -4.014 5.481 1.00 1.71 O ATOM 0 H GLU A 22 1.370 -0.932 5.158 1.00 0.83 H new ATOM 0 HA GLU A 22 -0.627 -2.429 3.910 1.00 1.04 H new ATOM 0 HB2 GLU A 22 0.897 -4.186 3.838 1.00 1.40 H new ATOM 0 HB3 GLU A 22 1.877 -2.734 3.802 1.00 1.40 H new ATOM 0 HG2 GLU A 22 2.327 -3.118 6.283 1.00 1.33 H new ATOM 0 HG3 GLU A 22 1.567 -4.685 6.091 1.00 1.33 H new ATOM 320 N ARG A 23 -0.329 -2.935 7.134 1.00 0.88 N ATOM 321 CA ARG A 23 -0.901 -3.620 8.263 1.00 0.99 C ATOM 322 C ARG A 23 -2.354 -3.160 8.507 1.00 0.88 C ATOM 323 O ARG A 23 -3.142 -3.870 9.142 1.00 1.02 O ATOM 324 CB ARG A 23 -0.011 -3.441 9.504 1.00 1.23 C ATOM 325 CG ARG A 23 -0.338 -4.436 10.624 1.00 1.57 C ATOM 326 CD ARG A 23 0.132 -5.848 10.244 1.00 2.40 C ATOM 327 NE ARG A 23 -0.223 -6.847 11.267 1.00 2.80 N ATOM 328 CZ ARG A 23 -1.332 -7.581 11.292 1.00 3.41 C ATOM 329 NH1 ARG A 23 -2.328 -7.384 10.446 1.00 4.54 N ATOM 330 NH2 ARG A 23 -1.449 -8.539 12.185 1.00 3.78 N ATOM 0 H ARG A 23 0.394 -2.253 7.366 1.00 0.88 H new ATOM 0 HA ARG A 23 -0.943 -4.687 8.046 1.00 0.99 H new ATOM 0 HB2 ARG A 23 1.034 -3.558 9.215 1.00 1.23 H new ATOM 0 HB3 ARG A 23 -0.125 -2.425 9.883 1.00 1.23 H new ATOM 0 HG2 ARG A 23 0.145 -4.122 11.549 1.00 1.57 H new ATOM 0 HG3 ARG A 23 -1.412 -4.442 10.811 1.00 1.57 H new ATOM 0 HD2 ARG A 23 -0.313 -6.133 9.291 1.00 2.40 H new ATOM 0 HD3 ARG A 23 1.213 -5.844 10.103 1.00 2.40 H new ATOM 0 HE ARG A 23 0.443 -6.989 12.026 1.00 2.80 H new ATOM 0 HH11 ARG A 23 -2.262 -6.648 9.743 1.00 4.54 H new ATOM 0 HH12 ARG A 23 -3.163 -7.968 10.496 1.00 4.54 H new ATOM 0 HH21 ARG A 23 -0.694 -8.713 12.849 1.00 3.78 H new ATOM 0 HH22 ARG A 23 -2.295 -9.109 12.214 1.00 3.78 H new ATOM 344 N ALA A 24 -2.718 -1.970 8.005 1.00 0.78 N ATOM 345 CA ALA A 24 -4.095 -1.498 7.908 1.00 0.86 C ATOM 346 C ALA A 24 -4.804 -1.995 6.628 1.00 0.80 C ATOM 347 O ALA A 24 -5.983 -2.340 6.697 1.00 0.87 O ATOM 348 CB ALA A 24 -4.100 0.034 8.001 1.00 1.04 C ATOM 0 H ALA A 24 -2.040 -1.297 7.648 1.00 0.78 H new ATOM 0 HA ALA A 24 -4.665 -1.916 8.738 1.00 0.86 H new ATOM 0 HB1 ALA A 24 -5.124 0.400 7.930 1.00 1.04 H new ATOM 0 HB2 ALA A 24 -3.670 0.342 8.954 1.00 1.04 H new ATOM 0 HB3 ALA A 24 -3.509 0.450 7.185 1.00 1.04 H new ATOM 354 N ILE A 25 -4.112 -2.107 5.486 1.00 0.75 N ATOM 355 CA ILE A 25 -4.643 -2.730 4.251 1.00 0.79 C ATOM 356 C ILE A 25 -5.026 -4.188 4.507 1.00 0.75 C ATOM 357 O ILE A 25 -6.011 -4.669 3.956 1.00 0.80 O ATOM 358 CB ILE A 25 -3.633 -2.622 3.081 1.00 0.79 C ATOM 359 CG1 ILE A 25 -3.454 -1.155 2.636 1.00 0.85 C ATOM 360 CG2 ILE A 25 -4.104 -3.450 1.873 1.00 0.94 C ATOM 361 CD1 ILE A 25 -2.353 -0.939 1.587 1.00 1.17 C ATOM 0 H ILE A 25 -3.156 -1.766 5.386 1.00 0.75 H new ATOM 0 HA ILE A 25 -5.540 -2.183 3.961 1.00 0.79 H new ATOM 0 HB ILE A 25 -2.680 -3.010 3.441 1.00 0.79 H new ATOM 0 HG12 ILE A 25 -4.399 -0.793 2.232 1.00 0.85 H new ATOM 0 HG13 ILE A 25 -3.228 -0.547 3.512 1.00 0.85 H new ATOM 0 HG21 ILE A 25 -3.379 -3.359 1.064 1.00 0.94 H new ATOM 0 HG22 ILE A 25 -4.195 -4.497 2.163 1.00 0.94 H new ATOM 0 HG23 ILE A 25 -5.073 -3.082 1.535 1.00 0.94 H new ATOM 0 HD11 ILE A 25 -2.296 0.119 1.332 1.00 1.17 H new ATOM 0 HD12 ILE A 25 -1.395 -1.267 1.992 1.00 1.17 H new ATOM 0 HD13 ILE A 25 -2.585 -1.516 0.692 1.00 1.17 H new ATOM 373 N ALA A 26 -4.337 -4.858 5.427 1.00 0.67 N ATOM 374 CA ALA A 26 -4.650 -6.205 5.903 1.00 0.65 C ATOM 375 C ALA A 26 -6.075 -6.379 6.487 1.00 0.68 C ATOM 376 O ALA A 26 -6.421 -7.478 6.910 1.00 0.74 O ATOM 377 CB ALA A 26 -3.554 -6.612 6.896 1.00 0.68 C ATOM 0 H ALA A 26 -3.513 -4.463 5.880 1.00 0.67 H new ATOM 0 HA ALA A 26 -4.661 -6.874 5.043 1.00 0.65 H new ATOM 0 HB1 ALA A 26 -3.757 -7.615 7.272 1.00 0.68 H new ATOM 0 HB2 ALA A 26 -2.586 -6.602 6.394 1.00 0.68 H new ATOM 0 HB3 ALA A 26 -3.538 -5.909 7.729 1.00 0.68 H new ATOM 383 N LYS A 27 -6.903 -5.325 6.562 1.00 0.72 N ATOM 384 CA LYS A 27 -8.345 -5.418 6.807 1.00 0.76 C ATOM 385 C LYS A 27 -9.202 -5.466 5.519 1.00 0.67 C ATOM 386 O LYS A 27 -10.383 -5.787 5.611 1.00 0.70 O ATOM 387 CB LYS A 27 -8.767 -4.216 7.665 1.00 0.88 C ATOM 388 CG LYS A 27 -8.339 -4.270 9.137 1.00 1.08 C ATOM 389 CD LYS A 27 -6.831 -4.180 9.425 1.00 1.56 C ATOM 390 CE LYS A 27 -6.499 -4.070 10.918 1.00 1.93 C ATOM 391 NZ LYS A 27 -7.160 -2.901 11.554 1.00 2.83 N ATOM 0 H LYS A 27 -6.578 -4.365 6.451 1.00 0.72 H new ATOM 0 HA LYS A 27 -8.525 -6.364 7.318 1.00 0.76 H new ATOM 0 HB2 LYS A 27 -8.355 -3.311 7.218 1.00 0.88 H new ATOM 0 HB3 LYS A 27 -9.853 -4.126 7.624 1.00 0.88 H new ATOM 0 HG2 LYS A 27 -8.835 -3.455 9.665 1.00 1.08 H new ATOM 0 HG3 LYS A 27 -8.712 -5.201 9.565 1.00 1.08 H new ATOM 0 HD2 LYS A 27 -6.338 -5.061 9.015 1.00 1.56 H new ATOM 0 HD3 LYS A 27 -6.421 -3.314 8.905 1.00 1.56 H new ATOM 0 HE2 LYS A 27 -6.811 -4.983 11.426 1.00 1.93 H new ATOM 0 HE3 LYS A 27 -5.419 -3.988 11.044 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 -6.720 -2.714 12.478 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -7.052 -2.066 10.943 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -8.171 -3.104 11.687 1.00 2.83 H new ATOM 405 N VAL A 28 -8.663 -5.148 4.338 1.00 0.63 N ATOM 406 CA VAL A 28 -9.365 -5.255 3.047 1.00 0.61 C ATOM 407 C VAL A 28 -9.577 -6.748 2.753 1.00 0.79 C ATOM 408 O VAL A 28 -8.587 -7.474 2.650 1.00 0.78 O ATOM 409 CB VAL A 28 -8.577 -4.579 1.894 1.00 0.63 C ATOM 410 CG1 VAL A 28 -9.311 -4.745 0.549 1.00 0.96 C ATOM 411 CG2 VAL A 28 -8.391 -3.074 2.159 1.00 0.91 C ATOM 0 H VAL A 28 -7.708 -4.802 4.247 1.00 0.63 H new ATOM 0 HA VAL A 28 -10.319 -4.732 3.113 1.00 0.61 H new ATOM 0 HB VAL A 28 -7.604 -5.068 1.846 1.00 0.63 H new ATOM 0 HG11 VAL A 28 -8.736 -4.262 -0.241 1.00 0.96 H new ATOM 0 HG12 VAL A 28 -9.419 -5.806 0.322 1.00 0.96 H new ATOM 0 HG13 VAL A 28 -10.297 -4.285 0.614 1.00 0.96 H new ATOM 0 HG21 VAL A 28 -7.836 -2.625 1.335 1.00 0.91 H new ATOM 0 HG22 VAL A 28 -9.367 -2.596 2.242 1.00 0.91 H new ATOM 0 HG23 VAL A 28 -7.838 -2.934 3.088 1.00 0.91 H new ATOM 421 N PRO A 29 -10.828 -7.235 2.622 1.00 1.12 N ATOM 422 CA PRO A 29 -11.129 -8.660 2.743 1.00 1.60 C ATOM 423 C PRO A 29 -10.575 -9.519 1.600 1.00 1.77 C ATOM 424 O PRO A 29 -10.326 -10.701 1.810 1.00 3.02 O ATOM 425 CB PRO A 29 -12.656 -8.754 2.846 1.00 2.01 C ATOM 426 CG PRO A 29 -13.148 -7.471 2.178 1.00 1.82 C ATOM 427 CD PRO A 29 -12.062 -6.466 2.553 1.00 1.25 C ATOM 0 HA PRO A 29 -10.633 -9.069 3.623 1.00 1.60 H new ATOM 0 HB2 PRO A 29 -13.037 -9.640 2.339 1.00 2.01 H new ATOM 0 HB3 PRO A 29 -12.984 -8.815 3.884 1.00 2.01 H new ATOM 0 HG2 PRO A 29 -13.240 -7.585 1.098 1.00 1.82 H new ATOM 0 HG3 PRO A 29 -14.127 -7.169 2.551 1.00 1.82 H new ATOM 0 HD2 PRO A 29 -11.989 -5.672 1.810 1.00 1.25 H new ATOM 0 HD3 PRO A 29 -12.281 -5.989 3.508 1.00 1.25 H new ATOM 435 N GLY A 30 -10.332 -8.944 0.414 1.00 0.98 N ATOM 436 CA GLY A 30 -9.793 -9.677 -0.739 1.00 1.13 C ATOM 437 C GLY A 30 -8.277 -9.882 -0.724 1.00 1.06 C ATOM 438 O GLY A 30 -7.763 -10.471 -1.671 1.00 1.31 O ATOM 0 H GLY A 30 -10.504 -7.956 0.227 1.00 0.98 H new ATOM 0 HA2 GLY A 30 -10.276 -10.653 -0.788 1.00 1.13 H new ATOM 0 HA3 GLY A 30 -10.063 -9.142 -1.649 1.00 1.13 H new ATOM 442 N VAL A 31 -7.566 -9.375 0.291 1.00 0.84 N ATOM 443 CA VAL A 31 -6.092 -9.361 0.368 1.00 0.69 C ATOM 444 C VAL A 31 -5.526 -10.783 0.285 1.00 0.71 C ATOM 445 O VAL A 31 -5.639 -11.575 1.215 1.00 0.95 O ATOM 446 CB VAL A 31 -5.587 -8.570 1.605 1.00 0.61 C ATOM 447 CG1 VAL A 31 -5.946 -9.173 2.976 1.00 0.96 C ATOM 448 CG2 VAL A 31 -4.069 -8.346 1.523 1.00 0.87 C ATOM 0 H VAL A 31 -8.008 -8.950 1.106 1.00 0.84 H new ATOM 0 HA VAL A 31 -5.710 -8.823 -0.500 1.00 0.69 H new ATOM 0 HB VAL A 31 -6.125 -7.624 1.555 1.00 0.61 H new ATOM 0 HG11 VAL A 31 -5.545 -8.541 3.768 1.00 0.96 H new ATOM 0 HG12 VAL A 31 -7.030 -9.234 3.074 1.00 0.96 H new ATOM 0 HG13 VAL A 31 -5.518 -10.172 3.057 1.00 0.96 H new ATOM 0 HG21 VAL A 31 -3.735 -7.790 2.399 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -3.560 -9.309 1.489 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -3.833 -7.779 0.622 1.00 0.87 H new ATOM 458 N GLN A 32 -4.913 -11.106 -0.855 1.00 0.77 N ATOM 459 CA GLN A 32 -4.205 -12.372 -1.048 1.00 0.79 C ATOM 460 C GLN A 32 -2.722 -12.234 -0.699 1.00 0.73 C ATOM 461 O GLN A 32 -2.072 -13.245 -0.469 1.00 0.89 O ATOM 462 CB GLN A 32 -4.443 -12.924 -2.467 1.00 0.98 C ATOM 463 CG GLN A 32 -3.753 -12.156 -3.609 1.00 0.96 C ATOM 464 CD GLN A 32 -2.411 -12.719 -4.096 1.00 1.31 C ATOM 465 OE1 GLN A 32 -2.094 -12.602 -5.268 1.00 1.83 O ATOM 466 NE2 GLN A 32 -1.570 -13.338 -3.292 1.00 1.50 N ATOM 0 H GLN A 32 -4.894 -10.496 -1.672 1.00 0.77 H new ATOM 0 HA GLN A 32 -4.614 -13.109 -0.356 1.00 0.79 H new ATOM 0 HB2 GLN A 32 -4.105 -13.960 -2.495 1.00 0.98 H new ATOM 0 HB3 GLN A 32 -5.516 -12.934 -2.657 1.00 0.98 H new ATOM 0 HG2 GLN A 32 -4.436 -12.119 -4.458 1.00 0.96 H new ATOM 0 HG3 GLN A 32 -3.594 -11.128 -3.283 1.00 0.96 H new ATOM 0 HE21 GLN A 32 -1.800 -13.455 -2.305 1.00 1.50 H new ATOM 0 HE22 GLN A 32 -0.689 -13.700 -3.656 1.00 1.50 H new ATOM 475 N SER A 33 -2.180 -11.012 -0.648 1.00 0.66 N ATOM 476 CA SER A 33 -0.894 -10.677 -0.029 1.00 0.71 C ATOM 477 C SER A 33 -0.704 -9.161 -0.080 1.00 0.67 C ATOM 478 O SER A 33 -1.054 -8.543 -1.085 1.00 0.78 O ATOM 479 CB SER A 33 0.318 -11.347 -0.705 1.00 1.03 C ATOM 480 OG SER A 33 1.485 -11.187 0.089 1.00 1.98 O ATOM 0 H SER A 33 -2.644 -10.198 -1.053 1.00 0.66 H new ATOM 0 HA SER A 33 -0.932 -11.053 0.994 1.00 0.71 H new ATOM 0 HB2 SER A 33 0.117 -12.408 -0.856 1.00 1.03 H new ATOM 0 HB3 SER A 33 0.479 -10.910 -1.690 1.00 1.03 H new ATOM 0 HG SER A 33 1.716 -10.236 0.142 1.00 1.98 H new ATOM 486 N CYS A 34 -0.089 -8.588 0.958 1.00 0.72 N ATOM 487 CA CYS A 34 0.611 -7.301 0.900 1.00 0.63 C ATOM 488 C CYS A 34 2.139 -7.520 0.866 1.00 0.77 C ATOM 489 O CYS A 34 2.598 -8.668 0.933 1.00 1.45 O ATOM 490 CB CYS A 34 0.207 -6.472 2.132 1.00 0.63 C ATOM 491 SG CYS A 34 -1.509 -5.911 1.983 1.00 1.27 S ATOM 0 H CYS A 34 -0.063 -9.016 1.884 1.00 0.72 H new ATOM 0 HA CYS A 34 0.334 -6.767 -0.009 1.00 0.63 H new ATOM 0 HB2 CYS A 34 0.323 -7.071 3.035 1.00 0.63 H new ATOM 0 HB3 CYS A 34 0.870 -5.612 2.233 1.00 0.63 H new ATOM 0 HG CYS A 34 -1.831 -5.216 3.033 1.00 1.27 H new ATOM 497 N GLN A 35 2.877 -6.408 0.827 1.00 0.56 N ATOM 498 CA GLN A 35 4.278 -6.182 1.187 1.00 0.65 C ATOM 499 C GLN A 35 4.664 -4.738 0.835 1.00 0.73 C ATOM 500 O GLN A 35 4.166 -4.178 -0.140 1.00 1.10 O ATOM 501 CB GLN A 35 5.240 -7.211 0.566 1.00 0.68 C ATOM 502 CG GLN A 35 5.703 -8.226 1.620 1.00 1.27 C ATOM 503 CD GLN A 35 6.023 -9.573 0.994 1.00 1.80 C ATOM 504 OE1 GLN A 35 7.165 -9.963 0.820 1.00 2.82 O ATOM 505 NE2 GLN A 35 5.007 -10.323 0.630 1.00 1.88 N ATOM 0 H GLN A 35 2.453 -5.539 0.502 1.00 0.56 H new ATOM 0 HA GLN A 35 4.377 -6.326 2.263 1.00 0.65 H new ATOM 0 HB2 GLN A 35 4.744 -7.731 -0.254 1.00 0.68 H new ATOM 0 HB3 GLN A 35 6.104 -6.699 0.143 1.00 0.68 H new ATOM 0 HG2 GLN A 35 6.586 -7.843 2.132 1.00 1.27 H new ATOM 0 HG3 GLN A 35 4.925 -8.350 2.374 1.00 1.27 H new ATOM 0 HE21 GLN A 35 4.052 -9.995 0.777 1.00 1.88 H new ATOM 0 HE22 GLN A 35 5.173 -11.233 0.201 1.00 1.88 H new ATOM 514 N VAL A 36 5.583 -4.143 1.592 1.00 0.50 N ATOM 515 CA VAL A 36 6.249 -2.877 1.278 1.00 0.45 C ATOM 516 C VAL A 36 7.672 -2.915 1.826 1.00 0.55 C ATOM 517 O VAL A 36 7.923 -3.207 2.994 1.00 0.83 O ATOM 518 CB VAL A 36 5.457 -1.624 1.723 1.00 0.63 C ATOM 519 CG1 VAL A 36 4.983 -1.665 3.181 1.00 1.49 C ATOM 520 CG2 VAL A 36 6.247 -0.316 1.517 1.00 1.27 C ATOM 0 H VAL A 36 5.898 -4.544 2.476 1.00 0.50 H new ATOM 0 HA VAL A 36 6.291 -2.777 0.193 1.00 0.45 H new ATOM 0 HB VAL A 36 4.581 -1.639 1.074 1.00 0.63 H new ATOM 0 HG11 VAL A 36 4.437 -0.750 3.412 1.00 1.49 H new ATOM 0 HG12 VAL A 36 4.329 -2.525 3.327 1.00 1.49 H new ATOM 0 HG13 VAL A 36 5.846 -1.749 3.842 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.643 0.530 1.846 1.00 1.27 H new ATOM 0 HG22 VAL A 36 7.168 -0.352 2.098 1.00 1.27 H new ATOM 0 HG23 VAL A 36 6.489 -0.200 0.461 1.00 1.27 H new ATOM 530 N ASN A 37 8.609 -2.658 0.921 1.00 0.56 N ATOM 531 CA ASN A 37 10.037 -2.827 1.104 1.00 0.71 C ATOM 532 C ASN A 37 10.665 -1.453 1.329 1.00 0.70 C ATOM 533 O ASN A 37 11.277 -0.868 0.433 1.00 0.99 O ATOM 534 CB ASN A 37 10.573 -3.536 -0.139 1.00 0.95 C ATOM 535 CG ASN A 37 12.027 -3.958 -0.015 1.00 1.20 C ATOM 536 OD1 ASN A 37 12.811 -3.396 0.739 1.00 1.53 O ATOM 537 ND2 ASN A 37 12.420 -4.948 -0.788 1.00 1.45 N ATOM 0 H ASN A 37 8.376 -2.308 -0.008 1.00 0.56 H new ATOM 0 HA ASN A 37 10.282 -3.434 1.975 1.00 0.71 H new ATOM 0 HB2 ASN A 37 9.963 -4.417 -0.337 1.00 0.95 H new ATOM 0 HB3 ASN A 37 10.467 -2.875 -0.999 1.00 0.95 H new ATOM 0 HD21 ASN A 37 13.391 -5.258 -0.765 1.00 1.45 H new ATOM 0 HD22 ASN A 37 11.753 -5.405 -1.410 1.00 1.45 H new ATOM 544 N PHE A 38 10.471 -0.903 2.530 1.00 0.73 N ATOM 545 CA PHE A 38 10.745 0.499 2.858 1.00 0.91 C ATOM 546 C PHE A 38 12.246 0.862 2.992 1.00 0.85 C ATOM 547 O PHE A 38 12.614 1.745 3.760 1.00 1.27 O ATOM 548 CB PHE A 38 9.883 0.863 4.081 1.00 1.38 C ATOM 549 CG PHE A 38 9.692 2.348 4.333 1.00 1.63 C ATOM 550 CD1 PHE A 38 9.366 3.222 3.276 1.00 2.87 C ATOM 551 CD2 PHE A 38 9.791 2.851 5.645 1.00 1.98 C ATOM 552 CE1 PHE A 38 9.193 4.594 3.520 1.00 3.41 C ATOM 553 CE2 PHE A 38 9.576 4.217 5.893 1.00 2.67 C ATOM 554 CZ PHE A 38 9.313 5.090 4.826 1.00 3.05 C ATOM 0 H PHE A 38 10.110 -1.434 3.322 1.00 0.73 H new ATOM 0 HA PHE A 38 10.460 1.125 2.012 1.00 0.91 H new ATOM 0 HB2 PHE A 38 8.902 0.404 3.960 1.00 1.38 H new ATOM 0 HB3 PHE A 38 10.336 0.418 4.967 1.00 1.38 H new ATOM 0 HD1 PHE A 38 9.249 2.835 2.275 1.00 2.87 H new ATOM 0 HD2 PHE A 38 10.032 2.186 6.461 1.00 1.98 H new ATOM 0 HE1 PHE A 38 8.968 5.265 2.704 1.00 3.41 H new ATOM 0 HE2 PHE A 38 9.613 4.595 6.904 1.00 2.67 H new ATOM 0 HZ PHE A 38 9.203 6.148 5.012 1.00 3.05 H new ATOM 564 N ALA A 39 13.110 0.182 2.230 1.00 0.90 N ATOM 565 CA ALA A 39 14.506 0.532 1.969 1.00 0.99 C ATOM 566 C ALA A 39 14.791 0.609 0.453 1.00 1.08 C ATOM 567 O ALA A 39 15.711 1.306 0.037 1.00 1.31 O ATOM 568 CB ALA A 39 15.387 -0.526 2.647 1.00 1.17 C ATOM 0 H ALA A 39 12.835 -0.676 1.753 1.00 0.90 H new ATOM 0 HA ALA A 39 14.726 1.519 2.375 1.00 0.99 H new ATOM 0 HB1 ALA A 39 16.437 -0.293 2.470 1.00 1.17 H new ATOM 0 HB2 ALA A 39 15.191 -0.529 3.719 1.00 1.17 H new ATOM 0 HB3 ALA A 39 15.159 -1.508 2.234 1.00 1.17 H new ATOM 574 N LEU A 40 13.996 -0.080 -0.383 1.00 1.00 N ATOM 575 CA LEU A 40 14.047 -0.070 -1.831 1.00 1.08 C ATOM 576 C LEU A 40 12.780 0.596 -2.446 1.00 0.85 C ATOM 577 O LEU A 40 12.635 0.690 -3.660 1.00 0.86 O ATOM 578 CB LEU A 40 14.300 -1.557 -2.172 1.00 1.27 C ATOM 579 CG LEU A 40 14.019 -1.978 -3.606 1.00 1.24 C ATOM 580 CD1 LEU A 40 14.913 -1.264 -4.635 1.00 1.48 C ATOM 581 CD2 LEU A 40 14.201 -3.495 -3.766 1.00 1.49 C ATOM 0 H LEU A 40 13.260 -0.692 -0.031 1.00 1.00 H new ATOM 0 HA LEU A 40 14.830 0.548 -2.270 1.00 1.08 H new ATOM 0 HB2 LEU A 40 15.341 -1.787 -1.946 1.00 1.27 H new ATOM 0 HB3 LEU A 40 13.687 -2.169 -1.510 1.00 1.27 H new ATOM 0 HG LEU A 40 12.987 -1.690 -3.805 1.00 1.24 H new ATOM 0 HD11 LEU A 40 14.661 -1.610 -5.638 1.00 1.48 H new ATOM 0 HD12 LEU A 40 14.753 -0.188 -4.571 1.00 1.48 H new ATOM 0 HD13 LEU A 40 15.959 -1.488 -4.426 1.00 1.48 H new ATOM 0 HD21 LEU A 40 13.996 -3.779 -4.798 1.00 1.49 H new ATOM 0 HD22 LEU A 40 15.225 -3.767 -3.511 1.00 1.49 H new ATOM 0 HD23 LEU A 40 13.511 -4.016 -3.102 1.00 1.49 H new ATOM 593 N GLU A 41 11.844 1.050 -1.608 1.00 0.86 N ATOM 594 CA GLU A 41 10.704 1.934 -1.902 1.00 0.74 C ATOM 595 C GLU A 41 9.493 1.264 -2.565 1.00 0.51 C ATOM 596 O GLU A 41 8.476 1.945 -2.695 1.00 0.47 O ATOM 597 CB GLU A 41 11.081 3.172 -2.742 1.00 0.95 C ATOM 598 CG GLU A 41 12.112 4.095 -2.098 1.00 1.32 C ATOM 599 CD GLU A 41 12.269 5.401 -2.883 1.00 1.65 C ATOM 600 OE1 GLU A 41 11.459 5.704 -3.789 1.00 1.69 O ATOM 601 OE2 GLU A 41 13.198 6.164 -2.552 1.00 2.81 O ATOM 0 H GLU A 41 11.863 0.789 -0.622 1.00 0.86 H new ATOM 0 HA GLU A 41 10.407 2.237 -0.898 1.00 0.74 H new ATOM 0 HB2 GLU A 41 11.466 2.836 -3.705 1.00 0.95 H new ATOM 0 HB3 GLU A 41 10.176 3.746 -2.943 1.00 0.95 H new ATOM 0 HG2 GLU A 41 11.811 4.319 -1.075 1.00 1.32 H new ATOM 0 HG3 GLU A 41 13.074 3.585 -2.043 1.00 1.32 H new ATOM 608 N GLN A 42 9.523 -0.007 -3.000 1.00 0.47 N ATOM 609 CA GLN A 42 8.298 -0.583 -3.575 1.00 0.36 C ATOM 610 C GLN A 42 7.271 -0.946 -2.503 1.00 0.34 C ATOM 611 O GLN A 42 7.629 -1.481 -1.457 1.00 0.50 O ATOM 612 CB GLN A 42 8.488 -1.760 -4.551 1.00 0.42 C ATOM 613 CG GLN A 42 8.690 -3.189 -3.963 1.00 0.62 C ATOM 614 CD GLN A 42 10.126 -3.702 -3.850 1.00 0.53 C ATOM 615 OE1 GLN A 42 10.461 -4.501 -2.993 1.00 1.14 O ATOM 616 NE2 GLN A 42 11.044 -3.331 -4.712 1.00 1.03 N ATOM 0 H GLN A 42 10.334 -0.625 -2.969 1.00 0.47 H new ATOM 0 HA GLN A 42 7.918 0.233 -4.189 1.00 0.36 H new ATOM 0 HB2 GLN A 42 7.617 -1.791 -5.206 1.00 0.42 H new ATOM 0 HB3 GLN A 42 9.351 -1.535 -5.178 1.00 0.42 H new ATOM 0 HG2 GLN A 42 8.244 -3.211 -2.969 1.00 0.62 H new ATOM 0 HG3 GLN A 42 8.128 -3.891 -4.580 1.00 0.62 H new ATOM 0 HE21 GLN A 42 10.812 -2.664 -5.448 1.00 1.03 H new ATOM 0 HE22 GLN A 42 11.989 -3.710 -4.646 1.00 1.03 H new ATOM 625 N ALA A 43 5.992 -0.771 -2.830 1.00 0.40 N ATOM 626 CA ALA A 43 4.866 -1.432 -2.174 1.00 0.55 C ATOM 627 C ALA A 43 4.123 -2.324 -3.175 1.00 0.76 C ATOM 628 O ALA A 43 4.076 -2.013 -4.369 1.00 0.86 O ATOM 629 CB ALA A 43 3.959 -0.371 -1.544 1.00 0.73 C ATOM 0 H ALA A 43 5.702 -0.146 -3.582 1.00 0.40 H new ATOM 0 HA ALA A 43 5.220 -2.084 -1.375 1.00 0.55 H new ATOM 0 HB1 ALA A 43 3.117 -0.858 -1.053 1.00 0.73 H new ATOM 0 HB2 ALA A 43 4.525 0.202 -0.810 1.00 0.73 H new ATOM 0 HB3 ALA A 43 3.589 0.299 -2.320 1.00 0.73 H new ATOM 635 N VAL A 44 3.571 -3.436 -2.695 1.00 0.92 N ATOM 636 CA VAL A 44 2.912 -4.467 -3.501 1.00 0.81 C ATOM 637 C VAL A 44 1.684 -5.010 -2.768 1.00 0.80 C ATOM 638 O VAL A 44 1.737 -5.244 -1.563 1.00 1.10 O ATOM 639 CB VAL A 44 3.898 -5.591 -3.914 1.00 0.89 C ATOM 640 CG1 VAL A 44 4.532 -6.345 -2.737 1.00 1.09 C ATOM 641 CG2 VAL A 44 3.280 -6.611 -4.878 1.00 0.77 C ATOM 0 H VAL A 44 3.569 -3.654 -1.699 1.00 0.92 H new ATOM 0 HA VAL A 44 2.568 -4.010 -4.429 1.00 0.81 H new ATOM 0 HB VAL A 44 4.690 -5.044 -4.426 1.00 0.89 H new ATOM 0 HG11 VAL A 44 5.207 -7.112 -3.117 1.00 1.09 H new ATOM 0 HG12 VAL A 44 5.091 -5.645 -2.116 1.00 1.09 H new ATOM 0 HG13 VAL A 44 3.749 -6.814 -2.141 1.00 1.09 H new ATOM 0 HG21 VAL A 44 4.021 -7.370 -5.128 1.00 0.77 H new ATOM 0 HG22 VAL A 44 2.420 -7.085 -4.404 1.00 0.77 H new ATOM 0 HG23 VAL A 44 2.959 -6.104 -5.788 1.00 0.77 H new ATOM 651 N VAL A 45 0.569 -5.205 -3.481 1.00 0.63 N ATOM 652 CA VAL A 45 -0.662 -5.794 -2.912 1.00 0.63 C ATOM 653 C VAL A 45 -1.686 -6.221 -3.957 1.00 0.64 C ATOM 654 O VAL A 45 -2.135 -5.412 -4.766 1.00 0.82 O ATOM 655 CB VAL A 45 -1.347 -4.900 -1.845 1.00 0.69 C ATOM 656 CG1 VAL A 45 -1.547 -3.442 -2.304 1.00 2.37 C ATOM 657 CG2 VAL A 45 -2.681 -5.484 -1.356 1.00 3.20 C ATOM 0 H VAL A 45 0.488 -4.961 -4.468 1.00 0.63 H new ATOM 0 HA VAL A 45 -0.298 -6.694 -2.416 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.649 -4.887 -1.008 1.00 0.69 H new ATOM 0 HG11 VAL A 45 -2.031 -2.874 -1.510 1.00 2.37 H new ATOM 0 HG12 VAL A 45 -0.579 -2.996 -2.531 1.00 2.37 H new ATOM 0 HG13 VAL A 45 -2.173 -3.424 -3.196 1.00 2.37 H new ATOM 0 HG21 VAL A 45 -3.118 -4.819 -0.611 1.00 3.20 H new ATOM 0 HG22 VAL A 45 -3.365 -5.584 -2.199 1.00 3.20 H new ATOM 0 HG23 VAL A 45 -2.508 -6.464 -0.911 1.00 3.20 H new ATOM 667 N SER A 46 -2.133 -7.476 -3.875 1.00 0.60 N ATOM 668 CA SER A 46 -3.344 -7.940 -4.564 1.00 0.65 C ATOM 669 C SER A 46 -4.475 -8.161 -3.555 1.00 0.74 C ATOM 670 O SER A 46 -4.351 -8.963 -2.631 1.00 0.85 O ATOM 671 CB SER A 46 -3.055 -9.192 -5.411 1.00 0.87 C ATOM 672 OG SER A 46 -4.229 -9.883 -5.825 1.00 1.68 O ATOM 0 H SER A 46 -1.667 -8.201 -3.329 1.00 0.60 H new ATOM 0 HA SER A 46 -3.674 -7.168 -5.259 1.00 0.65 H new ATOM 0 HB2 SER A 46 -2.485 -8.900 -6.293 1.00 0.87 H new ATOM 0 HB3 SER A 46 -2.427 -9.872 -4.836 1.00 0.87 H new ATOM 0 HG SER A 46 -4.715 -9.339 -6.479 1.00 1.68 H new ATOM 678 N TYR A 47 -5.592 -7.469 -3.769 1.00 0.96 N ATOM 679 CA TYR A 47 -6.781 -7.496 -2.888 1.00 1.40 C ATOM 680 C TYR A 47 -8.139 -7.439 -3.618 1.00 1.60 C ATOM 681 O TYR A 47 -9.173 -7.162 -3.016 1.00 2.33 O ATOM 682 CB TYR A 47 -6.663 -6.434 -1.770 1.00 1.70 C ATOM 683 CG TYR A 47 -6.246 -5.021 -2.138 1.00 1.77 C ATOM 684 CD1 TYR A 47 -6.247 -4.569 -3.470 1.00 2.33 C ATOM 685 CD2 TYR A 47 -5.720 -4.193 -1.130 1.00 2.20 C ATOM 686 CE1 TYR A 47 -5.554 -3.399 -3.808 1.00 2.37 C ATOM 687 CE2 TYR A 47 -5.075 -2.984 -1.461 1.00 2.32 C ATOM 688 CZ TYR A 47 -4.934 -2.628 -2.815 1.00 2.00 C ATOM 689 OH TYR A 47 -4.194 -1.562 -3.206 1.00 2.13 O ATOM 0 H TYR A 47 -5.709 -6.856 -4.576 1.00 0.96 H new ATOM 0 HA TYR A 47 -6.780 -8.484 -2.428 1.00 1.40 H new ATOM 0 HB2 TYR A 47 -7.630 -6.372 -1.271 1.00 1.70 H new ATOM 0 HB3 TYR A 47 -5.949 -6.807 -1.036 1.00 1.70 H new ATOM 0 HD1 TYR A 47 -6.780 -5.122 -4.229 1.00 2.33 H new ATOM 0 HD2 TYR A 47 -5.811 -4.486 -0.094 1.00 2.20 H new ATOM 0 HE1 TYR A 47 -5.497 -3.089 -4.841 1.00 2.37 H new ATOM 0 HE2 TYR A 47 -4.693 -2.338 -0.684 1.00 2.32 H new ATOM 0 HH TYR A 47 -4.325 -0.824 -2.575 1.00 2.13 H new ATOM 699 N HIS A 48 -8.142 -7.699 -4.924 1.00 1.28 N ATOM 700 CA HIS A 48 -9.314 -7.587 -5.803 1.00 1.43 C ATOM 701 C HIS A 48 -9.853 -8.986 -6.158 1.00 1.69 C ATOM 702 O HIS A 48 -9.159 -9.758 -6.826 1.00 1.93 O ATOM 703 CB HIS A 48 -8.956 -6.802 -7.082 1.00 1.49 C ATOM 704 CG HIS A 48 -7.954 -5.687 -6.926 1.00 1.48 C ATOM 705 ND1 HIS A 48 -8.227 -4.318 -6.911 1.00 1.46 N ATOM 706 CD2 HIS A 48 -6.610 -5.872 -6.829 1.00 1.59 C ATOM 707 CE1 HIS A 48 -7.036 -3.703 -6.826 1.00 1.55 C ATOM 708 NE2 HIS A 48 -6.044 -4.616 -6.811 1.00 1.66 N ATOM 0 H HIS A 48 -7.304 -8.003 -5.419 1.00 1.28 H new ATOM 0 HA HIS A 48 -10.095 -7.041 -5.273 1.00 1.43 H new ATOM 0 HB2 HIS A 48 -8.571 -7.507 -7.819 1.00 1.49 H new ATOM 0 HB3 HIS A 48 -9.874 -6.381 -7.493 1.00 1.49 H new ATOM 0 HD2 HIS A 48 -6.089 -6.817 -6.776 1.00 1.59 H new ATOM 0 HE1 HIS A 48 -6.894 -2.634 -6.777 1.00 1.55 H new ATOM 0 HE2 HIS A 48 -5.045 -4.412 -6.790 1.00 1.66 H new ATOM 716 N GLY A 49 -11.071 -9.316 -5.709 1.00 1.95 N ATOM 717 CA GLY A 49 -11.699 -10.636 -5.908 1.00 2.41 C ATOM 718 C GLY A 49 -13.153 -10.598 -6.384 1.00 2.52 C ATOM 719 O GLY A 49 -13.825 -11.623 -6.340 1.00 3.61 O ATOM 0 H GLY A 49 -11.660 -8.666 -5.189 1.00 1.95 H new ATOM 0 HA2 GLY A 49 -11.110 -11.196 -6.634 1.00 2.41 H new ATOM 0 HA3 GLY A 49 -11.655 -11.187 -4.969 1.00 2.41 H new ATOM 723 N GLU A 50 -13.632 -9.421 -6.792 1.00 2.16 N ATOM 724 CA GLU A 50 -15.012 -9.066 -7.144 1.00 2.32 C ATOM 725 C GLU A 50 -14.916 -7.640 -7.730 1.00 2.31 C ATOM 726 O GLU A 50 -14.085 -7.428 -8.620 1.00 2.93 O ATOM 727 CB GLU A 50 -15.951 -9.256 -5.922 1.00 2.64 C ATOM 728 CG GLU A 50 -17.442 -9.433 -6.259 1.00 3.36 C ATOM 729 CD GLU A 50 -18.126 -8.126 -6.642 1.00 4.09 C ATOM 730 OE1 GLU A 50 -18.091 -7.202 -5.802 1.00 4.27 O ATOM 731 OE2 GLU A 50 -18.579 -8.017 -7.799 1.00 5.33 O ATOM 0 H GLU A 50 -13.010 -8.619 -6.894 1.00 2.16 H new ATOM 0 HA GLU A 50 -15.472 -9.712 -7.892 1.00 2.32 H new ATOM 0 HB2 GLU A 50 -15.617 -10.128 -5.360 1.00 2.64 H new ATOM 0 HB3 GLU A 50 -15.844 -8.393 -5.265 1.00 2.64 H new ATOM 0 HG2 GLU A 50 -17.541 -10.143 -7.080 1.00 3.36 H new ATOM 0 HG3 GLU A 50 -17.954 -9.866 -5.400 1.00 3.36 H new ATOM 738 N THR A 51 -15.634 -6.642 -7.203 1.00 2.34 N ATOM 739 CA THR A 51 -15.417 -5.227 -7.512 1.00 2.42 C ATOM 740 C THR A 51 -14.143 -4.687 -6.859 1.00 2.30 C ATOM 741 O THR A 51 -13.508 -5.347 -6.030 1.00 3.14 O ATOM 742 CB THR A 51 -16.674 -4.437 -7.131 1.00 2.89 C ATOM 743 OG1 THR A 51 -16.638 -3.201 -7.807 1.00 3.25 O ATOM 744 CG2 THR A 51 -16.809 -4.164 -5.630 1.00 3.65 C ATOM 0 H THR A 51 -16.393 -6.799 -6.540 1.00 2.34 H new ATOM 0 HA THR A 51 -15.253 -5.109 -8.583 1.00 2.42 H new ATOM 0 HB THR A 51 -17.531 -5.048 -7.416 1.00 2.89 H new ATOM 0 HG1 THR A 51 -17.436 -2.680 -7.578 1.00 3.25 H new ATOM 0 HG21 THR A 51 -17.723 -3.601 -5.443 1.00 3.65 H new ATOM 0 HG22 THR A 51 -16.849 -5.110 -5.090 1.00 3.65 H new ATOM 0 HG23 THR A 51 -15.951 -3.586 -5.287 1.00 3.65 H new ATOM 752 N THR A 52 -13.785 -3.446 -7.202 1.00 2.14 N ATOM 753 CA THR A 52 -12.655 -2.727 -6.606 1.00 2.14 C ATOM 754 C THR A 52 -12.897 -1.215 -6.605 1.00 1.61 C ATOM 755 O THR A 52 -12.918 -0.592 -7.669 1.00 2.33 O ATOM 756 CB THR A 52 -11.322 -3.149 -7.232 1.00 3.37 C ATOM 757 OG1 THR A 52 -10.296 -2.478 -6.543 1.00 3.98 O ATOM 758 CG2 THR A 52 -11.155 -2.888 -8.730 1.00 4.52 C ATOM 0 H THR A 52 -14.279 -2.905 -7.912 1.00 2.14 H new ATOM 0 HA THR A 52 -12.579 -3.012 -5.557 1.00 2.14 H new ATOM 0 HB THR A 52 -11.285 -4.234 -7.137 1.00 3.37 H new ATOM 0 HG1 THR A 52 -9.572 -3.107 -6.342 1.00 3.98 H new ATOM 0 HG21 THR A 52 -10.171 -3.230 -9.052 1.00 4.52 H new ATOM 0 HG22 THR A 52 -11.925 -3.427 -9.281 1.00 4.52 H new ATOM 0 HG23 THR A 52 -11.249 -1.820 -8.926 1.00 4.52 H new ATOM 766 N PRO A 53 -13.113 -0.600 -5.426 1.00 1.87 N ATOM 767 CA PRO A 53 -13.144 0.847 -5.296 1.00 2.52 C ATOM 768 C PRO A 53 -11.710 1.390 -5.277 1.00 1.86 C ATOM 769 O PRO A 53 -10.757 0.672 -4.977 1.00 1.88 O ATOM 770 CB PRO A 53 -13.886 1.112 -3.984 1.00 3.91 C ATOM 771 CG PRO A 53 -13.484 -0.084 -3.120 1.00 3.98 C ATOM 772 CD PRO A 53 -13.351 -1.225 -4.130 1.00 2.89 C ATOM 0 HA PRO A 53 -13.646 1.345 -6.126 1.00 2.52 H new ATOM 0 HB2 PRO A 53 -13.584 2.057 -3.532 1.00 3.91 H new ATOM 0 HB3 PRO A 53 -14.965 1.160 -4.132 1.00 3.91 H new ATOM 0 HG2 PRO A 53 -12.547 0.098 -2.594 1.00 3.98 H new ATOM 0 HG3 PRO A 53 -14.237 -0.304 -2.363 1.00 3.98 H new ATOM 0 HD2 PRO A 53 -12.529 -1.888 -3.861 1.00 2.89 H new ATOM 0 HD3 PRO A 53 -14.256 -1.832 -4.152 1.00 2.89 H new ATOM 780 N GLN A 54 -11.565 2.695 -5.521 1.00 1.54 N ATOM 781 CA GLN A 54 -10.275 3.402 -5.545 1.00 1.25 C ATOM 782 C GLN A 54 -9.503 3.361 -4.207 1.00 1.07 C ATOM 783 O GLN A 54 -8.343 3.761 -4.153 1.00 1.20 O ATOM 784 CB GLN A 54 -10.553 4.834 -6.027 1.00 1.53 C ATOM 785 CG GLN A 54 -9.291 5.632 -6.390 1.00 2.81 C ATOM 786 CD GLN A 54 -9.638 6.893 -7.176 1.00 3.50 C ATOM 787 OE1 GLN A 54 -10.660 7.523 -6.976 1.00 3.17 O ATOM 788 NE2 GLN A 54 -8.840 7.290 -8.144 1.00 4.90 N ATOM 0 H GLN A 54 -12.358 3.307 -5.712 1.00 1.54 H new ATOM 0 HA GLN A 54 -9.601 2.889 -6.231 1.00 1.25 H new ATOM 0 HB2 GLN A 54 -11.206 4.792 -6.899 1.00 1.53 H new ATOM 0 HB3 GLN A 54 -11.096 5.369 -5.248 1.00 1.53 H new ATOM 0 HG2 GLN A 54 -8.756 5.904 -5.480 1.00 2.81 H new ATOM 0 HG3 GLN A 54 -8.620 5.007 -6.979 1.00 2.81 H new ATOM 0 HE21 GLN A 54 -7.977 6.781 -8.334 1.00 4.90 H new ATOM 0 HE22 GLN A 54 -9.085 8.107 -8.704 1.00 4.90 H new ATOM 797 N ILE A 55 -10.112 2.809 -3.150 1.00 1.07 N ATOM 798 CA ILE A 55 -9.522 2.580 -1.818 1.00 1.08 C ATOM 799 C ILE A 55 -8.190 1.808 -1.887 1.00 1.01 C ATOM 800 O ILE A 55 -7.338 1.973 -1.016 1.00 1.04 O ATOM 801 CB ILE A 55 -10.562 1.906 -0.885 1.00 1.33 C ATOM 802 CG1 ILE A 55 -11.842 2.775 -0.772 1.00 1.59 C ATOM 803 CG2 ILE A 55 -9.984 1.647 0.522 1.00 1.48 C ATOM 804 CD1 ILE A 55 -12.992 2.132 0.014 1.00 2.13 C ATOM 0 H ILE A 55 -11.080 2.492 -3.200 1.00 1.07 H new ATOM 0 HA ILE A 55 -9.266 3.548 -1.388 1.00 1.08 H new ATOM 0 HB ILE A 55 -10.818 0.945 -1.331 1.00 1.33 H new ATOM 0 HG12 ILE A 55 -11.581 3.721 -0.297 1.00 1.59 H new ATOM 0 HG13 ILE A 55 -12.194 3.009 -1.777 1.00 1.59 H new ATOM 0 HG21 ILE A 55 -10.743 1.174 1.146 1.00 1.48 H new ATOM 0 HG22 ILE A 55 -9.117 0.990 0.444 1.00 1.48 H new ATOM 0 HG23 ILE A 55 -9.683 2.593 0.972 1.00 1.48 H new ATOM 0 HD11 ILE A 55 -13.842 2.814 0.039 1.00 2.13 H new ATOM 0 HD12 ILE A 55 -13.288 1.201 -0.470 1.00 2.13 H new ATOM 0 HD13 ILE A 55 -12.665 1.923 1.033 1.00 2.13 H new ATOM 816 N LEU A 56 -7.966 1.046 -2.968 1.00 1.10 N ATOM 817 CA LEU A 56 -6.676 0.446 -3.323 1.00 1.25 C ATOM 818 C LEU A 56 -5.490 1.418 -3.141 1.00 1.15 C ATOM 819 O LEU A 56 -4.468 1.050 -2.560 1.00 1.30 O ATOM 820 CB LEU A 56 -6.793 -0.151 -4.751 1.00 1.50 C ATOM 821 CG LEU A 56 -6.868 0.853 -5.927 1.00 1.47 C ATOM 822 CD1 LEU A 56 -5.486 1.130 -6.547 1.00 1.64 C ATOM 823 CD2 LEU A 56 -7.789 0.330 -7.037 1.00 1.87 C ATOM 0 H LEU A 56 -8.702 0.825 -3.639 1.00 1.10 H new ATOM 0 HA LEU A 56 -6.445 -0.363 -2.630 1.00 1.25 H new ATOM 0 HB2 LEU A 56 -5.936 -0.804 -4.917 1.00 1.50 H new ATOM 0 HB3 LEU A 56 -7.683 -0.779 -4.784 1.00 1.50 H new ATOM 0 HG LEU A 56 -7.263 1.778 -5.508 1.00 1.47 H new ATOM 0 HD11 LEU A 56 -5.591 1.840 -7.368 1.00 1.64 H new ATOM 0 HD12 LEU A 56 -4.824 1.548 -5.788 1.00 1.64 H new ATOM 0 HD13 LEU A 56 -5.063 0.199 -6.925 1.00 1.64 H new ATOM 0 HD21 LEU A 56 -7.825 1.054 -7.851 1.00 1.87 H new ATOM 0 HD22 LEU A 56 -7.405 -0.619 -7.411 1.00 1.87 H new ATOM 0 HD23 LEU A 56 -8.793 0.183 -6.638 1.00 1.87 H new ATOM 835 N THR A 57 -5.627 2.661 -3.621 1.00 1.09 N ATOM 836 CA THR A 57 -4.602 3.703 -3.443 1.00 1.24 C ATOM 837 C THR A 57 -4.832 4.585 -2.223 1.00 1.15 C ATOM 838 O THR A 57 -3.840 4.978 -1.620 1.00 1.19 O ATOM 839 CB THR A 57 -4.362 4.511 -4.720 1.00 1.74 C ATOM 840 OG1 THR A 57 -3.138 5.181 -4.557 1.00 2.37 O ATOM 841 CG2 THR A 57 -5.441 5.542 -5.050 1.00 2.07 C ATOM 0 H THR A 57 -6.447 2.974 -4.141 1.00 1.09 H new ATOM 0 HA THR A 57 -3.676 3.167 -3.236 1.00 1.24 H new ATOM 0 HB THR A 57 -4.372 3.806 -5.551 1.00 1.74 H new ATOM 0 HG1 THR A 57 -2.946 5.711 -5.358 1.00 2.37 H new ATOM 0 HG21 THR A 57 -5.179 6.061 -5.972 1.00 2.07 H new ATOM 0 HG22 THR A 57 -6.399 5.038 -5.177 1.00 2.07 H new ATOM 0 HG23 THR A 57 -5.516 6.263 -4.236 1.00 2.07 H new ATOM 849 N ASP A 58 -6.074 4.871 -1.827 1.00 1.13 N ATOM 850 CA ASP A 58 -6.432 5.695 -0.647 1.00 1.25 C ATOM 851 C ASP A 58 -5.654 5.303 0.613 1.00 1.11 C ATOM 852 O ASP A 58 -5.250 6.161 1.392 1.00 1.16 O ATOM 853 CB ASP A 58 -7.929 5.501 -0.378 1.00 1.30 C ATOM 854 CG ASP A 58 -8.494 6.391 0.731 1.00 1.65 C ATOM 855 OD1 ASP A 58 -8.427 7.626 0.560 1.00 3.02 O ATOM 856 OD2 ASP A 58 -9.047 5.807 1.695 1.00 2.06 O ATOM 0 H ASP A 58 -6.893 4.529 -2.329 1.00 1.13 H new ATOM 0 HA ASP A 58 -6.181 6.732 -0.871 1.00 1.25 H new ATOM 0 HB2 ASP A 58 -8.479 5.696 -1.299 1.00 1.30 H new ATOM 0 HB3 ASP A 58 -8.106 4.458 -0.115 1.00 1.30 H new ATOM 861 N ALA A 59 -5.330 4.017 0.772 1.00 0.98 N ATOM 862 CA ALA A 59 -4.495 3.547 1.869 1.00 0.96 C ATOM 863 C ALA A 59 -3.083 4.169 1.968 1.00 0.98 C ATOM 864 O ALA A 59 -2.465 3.999 3.013 1.00 1.09 O ATOM 865 CB ALA A 59 -4.460 2.021 1.810 1.00 1.07 C ATOM 0 H ALA A 59 -5.641 3.277 0.142 1.00 0.98 H new ATOM 0 HA ALA A 59 -4.956 3.895 2.793 1.00 0.96 H new ATOM 0 HB1 ALA A 59 -3.840 1.640 2.622 1.00 1.07 H new ATOM 0 HB2 ALA A 59 -5.472 1.630 1.911 1.00 1.07 H new ATOM 0 HB3 ALA A 59 -4.042 1.703 0.855 1.00 1.07 H new ATOM 871 N VAL A 60 -2.558 4.901 0.975 1.00 0.96 N ATOM 872 CA VAL A 60 -1.355 5.757 1.174 1.00 0.98 C ATOM 873 C VAL A 60 -1.677 7.075 1.880 1.00 0.86 C ATOM 874 O VAL A 60 -0.949 7.501 2.780 1.00 0.89 O ATOM 875 CB VAL A 60 -0.589 6.052 -0.133 1.00 1.29 C ATOM 876 CG1 VAL A 60 -0.108 4.747 -0.790 1.00 1.47 C ATOM 877 CG2 VAL A 60 -1.338 6.929 -1.153 1.00 2.79 C ATOM 0 H VAL A 60 -2.936 4.925 0.028 1.00 0.96 H new ATOM 0 HA VAL A 60 -0.707 5.163 1.818 1.00 0.98 H new ATOM 0 HB VAL A 60 0.267 6.652 0.177 1.00 1.29 H new ATOM 0 HG11 VAL A 60 0.429 4.979 -1.710 1.00 1.47 H new ATOM 0 HG12 VAL A 60 0.555 4.218 -0.106 1.00 1.47 H new ATOM 0 HG13 VAL A 60 -0.967 4.118 -1.021 1.00 1.47 H new ATOM 0 HG21 VAL A 60 -0.714 7.076 -2.034 1.00 2.79 H new ATOM 0 HG22 VAL A 60 -2.266 6.437 -1.444 1.00 2.79 H new ATOM 0 HG23 VAL A 60 -1.565 7.896 -0.704 1.00 2.79 H new ATOM 887 N GLU A 61 -2.806 7.672 1.505 1.00 0.81 N ATOM 888 CA GLU A 61 -3.354 8.924 2.036 1.00 0.87 C ATOM 889 C GLU A 61 -3.665 8.785 3.543 1.00 0.88 C ATOM 890 O GLU A 61 -3.444 9.720 4.309 1.00 1.20 O ATOM 891 CB GLU A 61 -4.604 9.325 1.219 1.00 0.87 C ATOM 892 CG GLU A 61 -4.439 9.340 -0.316 1.00 1.42 C ATOM 893 CD GLU A 61 -3.401 10.330 -0.863 1.00 1.21 C ATOM 894 OE1 GLU A 61 -3.149 11.391 -0.242 1.00 2.06 O ATOM 895 OE2 GLU A 61 -2.856 10.059 -1.959 1.00 2.17 O ATOM 0 H GLU A 61 -3.401 7.273 0.779 1.00 0.81 H new ATOM 0 HA GLU A 61 -2.615 9.719 1.937 1.00 0.87 H new ATOM 0 HB2 GLU A 61 -5.412 8.638 1.470 1.00 0.87 H new ATOM 0 HB3 GLU A 61 -4.919 10.318 1.539 1.00 0.87 H new ATOM 0 HG2 GLU A 61 -4.166 8.337 -0.644 1.00 1.42 H new ATOM 0 HG3 GLU A 61 -5.405 9.570 -0.765 1.00 1.42 H new ATOM 902 N ARG A 62 -4.011 7.568 4.007 1.00 0.68 N ATOM 903 CA ARG A 62 -4.054 7.126 5.423 1.00 0.74 C ATOM 904 C ARG A 62 -2.840 7.530 6.274 1.00 0.77 C ATOM 905 O ARG A 62 -2.911 7.500 7.508 1.00 0.90 O ATOM 906 CB ARG A 62 -4.223 5.590 5.430 1.00 0.80 C ATOM 907 CG ARG A 62 -3.811 4.772 6.679 1.00 1.18 C ATOM 908 CD ARG A 62 -2.296 4.466 6.864 1.00 0.88 C ATOM 909 NE ARG A 62 -2.068 3.608 8.034 1.00 1.34 N ATOM 910 CZ ARG A 62 -2.102 3.995 9.300 1.00 1.26 C ATOM 911 NH1 ARG A 62 -2.370 5.243 9.643 1.00 1.80 N ATOM 912 NH2 ARG A 62 -1.850 3.092 10.223 1.00 2.04 N ATOM 0 H ARG A 62 -4.285 6.820 3.370 1.00 0.68 H new ATOM 0 HA ARG A 62 -4.894 7.639 5.892 1.00 0.74 H new ATOM 0 HB2 ARG A 62 -5.275 5.379 5.236 1.00 0.80 H new ATOM 0 HB3 ARG A 62 -3.658 5.198 4.584 1.00 0.80 H new ATOM 0 HG2 ARG A 62 -4.157 5.308 7.563 1.00 1.18 H new ATOM 0 HG3 ARG A 62 -4.346 3.823 6.652 1.00 1.18 H new ATOM 0 HD2 ARG A 62 -1.909 3.977 5.970 1.00 0.88 H new ATOM 0 HD3 ARG A 62 -1.745 5.399 6.981 1.00 0.88 H new ATOM 0 HE ARG A 62 -1.865 2.625 7.855 1.00 1.34 H new ATOM 0 HH11 ARG A 62 -2.558 5.941 8.923 1.00 1.80 H new ATOM 0 HH12 ARG A 62 -2.388 5.509 10.628 1.00 1.80 H new ATOM 0 HH21 ARG A 62 -1.638 2.132 9.952 1.00 2.04 H new ATOM 0 HH22 ARG A 62 -1.867 3.352 11.209 1.00 2.04 H new ATOM 926 N ALA A 63 -1.681 7.769 5.656 1.00 0.86 N ATOM 927 CA ALA A 63 -0.473 8.208 6.356 1.00 1.20 C ATOM 928 C ALA A 63 -0.085 9.682 6.112 1.00 1.45 C ATOM 929 O ALA A 63 0.879 10.142 6.718 1.00 1.73 O ATOM 930 CB ALA A 63 0.647 7.253 5.949 1.00 1.26 C ATOM 0 H ALA A 63 -1.554 7.663 4.650 1.00 0.86 H new ATOM 0 HA ALA A 63 -0.662 8.173 7.429 1.00 1.20 H new ATOM 0 HB1 ALA A 63 1.571 7.542 6.449 1.00 1.26 H new ATOM 0 HB2 ALA A 63 0.381 6.236 6.238 1.00 1.26 H new ATOM 0 HB3 ALA A 63 0.789 7.298 4.869 1.00 1.26 H new ATOM 936 N GLY A 64 -0.783 10.403 5.226 1.00 1.39 N ATOM 937 CA GLY A 64 -0.359 11.703 4.696 1.00 1.58 C ATOM 938 C GLY A 64 0.622 11.536 3.537 1.00 1.44 C ATOM 939 O GLY A 64 1.195 12.511 3.058 1.00 1.58 O ATOM 0 H GLY A 64 -1.678 10.091 4.850 1.00 1.39 H new ATOM 0 HA2 GLY A 64 -1.231 12.263 4.359 1.00 1.58 H new ATOM 0 HA3 GLY A 64 0.108 12.287 5.489 1.00 1.58 H new ATOM 943 N TYR A 65 0.846 10.292 3.098 1.00 1.24 N ATOM 944 CA TYR A 65 1.859 9.923 2.115 1.00 1.25 C ATOM 945 C TYR A 65 1.220 9.405 0.818 1.00 0.96 C ATOM 946 O TYR A 65 0.002 9.429 0.686 1.00 1.10 O ATOM 947 CB TYR A 65 2.865 8.962 2.770 1.00 1.56 C ATOM 948 CG TYR A 65 3.452 9.484 4.077 1.00 2.03 C ATOM 949 CD1 TYR A 65 3.814 10.840 4.233 1.00 3.57 C ATOM 950 CD2 TYR A 65 3.568 8.613 5.172 1.00 2.27 C ATOM 951 CE1 TYR A 65 4.237 11.335 5.481 1.00 4.07 C ATOM 952 CE2 TYR A 65 3.963 9.110 6.428 1.00 2.73 C ATOM 953 CZ TYR A 65 4.296 10.467 6.591 1.00 3.18 C ATOM 954 OH TYR A 65 4.665 10.917 7.821 1.00 3.79 O ATOM 0 H TYR A 65 0.307 9.492 3.431 1.00 1.24 H new ATOM 0 HA TYR A 65 2.423 10.800 1.799 1.00 1.25 H new ATOM 0 HB2 TYR A 65 2.372 8.008 2.959 1.00 1.56 H new ATOM 0 HB3 TYR A 65 3.677 8.768 2.069 1.00 1.56 H new ATOM 0 HD1 TYR A 65 3.766 11.506 3.384 1.00 3.57 H new ATOM 0 HD2 TYR A 65 3.354 7.561 5.050 1.00 2.27 H new ATOM 0 HE1 TYR A 65 4.515 12.373 5.588 1.00 4.07 H new ATOM 0 HE2 TYR A 65 4.011 8.443 7.276 1.00 2.73 H new ATOM 0 HH TYR A 65 4.646 10.175 8.460 1.00 3.79 H new ATOM 964 N HIS A 66 2.029 9.058 -0.186 1.00 0.84 N ATOM 965 CA HIS A 66 1.621 9.125 -1.591 1.00 0.86 C ATOM 966 C HIS A 66 2.125 7.958 -2.426 1.00 0.85 C ATOM 967 O HIS A 66 3.239 7.465 -2.264 1.00 0.95 O ATOM 968 CB HIS A 66 2.049 10.480 -2.195 1.00 1.07 C ATOM 969 CG HIS A 66 0.880 11.434 -2.245 1.00 0.88 C ATOM 970 ND1 HIS A 66 0.031 11.598 -3.323 1.00 1.91 N ATOM 971 CD2 HIS A 66 0.252 11.952 -1.145 1.00 1.68 C ATOM 972 CE1 HIS A 66 -1.108 12.153 -2.871 1.00 2.02 C ATOM 973 NE2 HIS A 66 -1.000 12.368 -1.547 1.00 1.30 N ATOM 0 H HIS A 66 2.983 8.724 -0.048 1.00 0.84 H new ATOM 0 HA HIS A 66 0.534 9.046 -1.614 1.00 0.86 H new ATOM 0 HB2 HIS A 66 2.852 10.912 -1.599 1.00 1.07 H new ATOM 0 HB3 HIS A 66 2.444 10.328 -3.199 1.00 1.07 H new ATOM 0 HD2 HIS A 66 0.661 12.022 -0.148 1.00 1.68 H new ATOM 0 HE1 HIS A 66 -1.972 12.389 -3.475 1.00 2.02 H new ATOM 0 HE2 HIS A 66 -1.719 12.769 -0.945 1.00 1.30 H new ATOM 982 N ALA A 67 1.296 7.598 -3.399 1.00 0.83 N ATOM 983 CA ALA A 67 1.588 6.614 -4.434 1.00 0.83 C ATOM 984 C ALA A 67 2.419 7.260 -5.555 1.00 0.98 C ATOM 985 O ALA A 67 2.137 8.388 -5.972 1.00 1.44 O ATOM 986 CB ALA A 67 0.251 6.063 -4.944 1.00 0.94 C ATOM 0 H ALA A 67 0.363 8.001 -3.492 1.00 0.83 H new ATOM 0 HA ALA A 67 2.183 5.790 -4.040 1.00 0.83 H new ATOM 0 HB1 ALA A 67 0.436 5.322 -5.722 1.00 0.94 H new ATOM 0 HB2 ALA A 67 -0.289 5.597 -4.120 1.00 0.94 H new ATOM 0 HB3 ALA A 67 -0.346 6.878 -5.354 1.00 0.94 H new ATOM 992 N ARG A 68 3.436 6.538 -6.031 1.00 0.73 N ATOM 993 CA ARG A 68 4.417 6.976 -7.029 1.00 0.93 C ATOM 994 C ARG A 68 4.650 5.843 -8.029 1.00 0.88 C ATOM 995 O ARG A 68 4.742 4.666 -7.692 1.00 0.76 O ATOM 996 CB ARG A 68 5.714 7.400 -6.296 1.00 1.18 C ATOM 997 CG ARG A 68 7.074 7.115 -6.958 1.00 1.14 C ATOM 998 CD ARG A 68 7.569 8.105 -8.016 1.00 1.76 C ATOM 999 NE ARG A 68 8.875 7.645 -8.521 1.00 2.40 N ATOM 1000 CZ ARG A 68 10.056 7.860 -7.945 1.00 3.01 C ATOM 1001 NH1 ARG A 68 10.226 8.705 -6.951 1.00 3.08 N ATOM 1002 NH2 ARG A 68 11.109 7.192 -8.363 1.00 4.25 N ATOM 0 H ARG A 68 3.607 5.583 -5.715 1.00 0.73 H new ATOM 0 HA ARG A 68 4.056 7.837 -7.591 1.00 0.93 H new ATOM 0 HB2 ARG A 68 5.654 8.473 -6.116 1.00 1.18 H new ATOM 0 HB3 ARG A 68 5.715 6.913 -5.321 1.00 1.18 H new ATOM 0 HG2 ARG A 68 7.826 7.061 -6.171 1.00 1.14 H new ATOM 0 HG3 ARG A 68 7.023 6.128 -7.419 1.00 1.14 H new ATOM 0 HD2 ARG A 68 6.851 8.174 -8.833 1.00 1.76 H new ATOM 0 HD3 ARG A 68 7.660 9.103 -7.586 1.00 1.76 H new ATOM 0 HE ARG A 68 8.874 7.113 -9.391 1.00 2.40 H new ATOM 0 HH11 ARG A 68 9.431 9.231 -6.588 1.00 3.08 H new ATOM 0 HH12 ARG A 68 11.152 8.834 -6.544 1.00 3.08 H new ATOM 0 HH21 ARG A 68 11.016 6.517 -9.122 1.00 4.25 H new ATOM 0 HH22 ARG A 68 12.018 7.349 -7.928 1.00 4.25 H new ATOM 1016 N VAL A 69 4.826 6.225 -9.283 1.00 1.29 N ATOM 1017 CA VAL A 69 5.156 5.347 -10.396 1.00 1.49 C ATOM 1018 C VAL A 69 6.634 4.965 -10.386 1.00 1.62 C ATOM 1019 O VAL A 69 7.525 5.816 -10.418 1.00 1.99 O ATOM 1020 CB VAL A 69 4.755 6.001 -11.737 1.00 2.13 C ATOM 1021 CG1 VAL A 69 3.259 5.788 -12.009 1.00 2.13 C ATOM 1022 CG2 VAL A 69 5.087 7.505 -11.835 1.00 3.36 C ATOM 0 H VAL A 69 4.739 7.201 -9.567 1.00 1.29 H new ATOM 0 HA VAL A 69 4.584 4.426 -10.281 1.00 1.49 H new ATOM 0 HB VAL A 69 5.359 5.502 -12.495 1.00 2.13 H new ATOM 0 HG11 VAL A 69 2.992 6.254 -12.957 1.00 2.13 H new ATOM 0 HG12 VAL A 69 3.046 4.720 -12.057 1.00 2.13 H new ATOM 0 HG13 VAL A 69 2.675 6.238 -11.206 1.00 2.13 H new ATOM 0 HG21 VAL A 69 4.773 7.884 -12.807 1.00 3.36 H new ATOM 0 HG22 VAL A 69 4.562 8.046 -11.048 1.00 3.36 H new ATOM 0 HG23 VAL A 69 6.161 7.649 -11.719 1.00 3.36 H new ATOM 1032 N LEU A 70 6.857 3.651 -10.362 1.00 1.47 N ATOM 1033 CA LEU A 70 8.125 3.008 -10.683 1.00 1.60 C ATOM 1034 C LEU A 70 8.246 2.808 -12.204 1.00 1.66 C ATOM 1035 O LEU A 70 7.337 3.159 -12.953 1.00 2.00 O ATOM 1036 CB LEU A 70 8.236 1.718 -9.848 1.00 1.43 C ATOM 1037 CG LEU A 70 7.206 0.579 -10.054 1.00 1.18 C ATOM 1038 CD1 LEU A 70 7.321 -0.146 -11.404 1.00 1.41 C ATOM 1039 CD2 LEU A 70 7.394 -0.459 -8.935 1.00 1.45 C ATOM 0 H LEU A 70 6.130 2.982 -10.108 1.00 1.47 H new ATOM 0 HA LEU A 70 8.978 3.632 -10.415 1.00 1.60 H new ATOM 0 HB2 LEU A 70 9.226 1.298 -10.027 1.00 1.43 H new ATOM 0 HB3 LEU A 70 8.197 2.006 -8.797 1.00 1.43 H new ATOM 0 HG LEU A 70 6.223 1.049 -10.034 1.00 1.18 H new ATOM 0 HD11 LEU A 70 6.563 -0.927 -11.463 1.00 1.41 H new ATOM 0 HD12 LEU A 70 7.171 0.568 -12.214 1.00 1.41 H new ATOM 0 HD13 LEU A 70 8.311 -0.594 -11.493 1.00 1.41 H new ATOM 0 HD21 LEU A 70 6.676 -1.269 -9.065 1.00 1.45 H new ATOM 0 HD22 LEU A 70 8.406 -0.861 -8.978 1.00 1.45 H new ATOM 0 HD23 LEU A 70 7.233 0.016 -7.967 1.00 1.45 H new ATOM 1051 N LYS A 71 9.345 2.221 -12.685 1.00 2.35 N ATOM 1052 CA LYS A 71 9.486 1.815 -14.094 1.00 2.50 C ATOM 1053 C LYS A 71 10.067 0.397 -14.218 1.00 3.65 C ATOM 1054 O LYS A 71 11.056 0.073 -13.565 1.00 5.16 O ATOM 1055 CB LYS A 71 10.353 2.832 -14.865 1.00 3.82 C ATOM 1056 CG LYS A 71 9.714 4.234 -14.914 1.00 4.52 C ATOM 1057 CD LYS A 71 10.528 5.260 -15.714 1.00 6.16 C ATOM 1058 CE LYS A 71 10.552 4.936 -17.215 1.00 6.69 C ATOM 1059 NZ LYS A 71 11.210 6.012 -17.999 1.00 7.88 N ATOM 0 H LYS A 71 10.163 2.012 -12.113 1.00 2.35 H new ATOM 0 HA LYS A 71 8.490 1.800 -14.538 1.00 2.50 H new ATOM 0 HB2 LYS A 71 11.334 2.899 -14.394 1.00 3.82 H new ATOM 0 HB3 LYS A 71 10.512 2.473 -15.882 1.00 3.82 H new ATOM 0 HG2 LYS A 71 8.719 4.154 -15.351 1.00 4.52 H new ATOM 0 HG3 LYS A 71 9.586 4.600 -13.895 1.00 4.52 H new ATOM 0 HD2 LYS A 71 10.105 6.253 -15.565 1.00 6.16 H new ATOM 0 HD3 LYS A 71 11.549 5.288 -15.333 1.00 6.16 H new ATOM 0 HE2 LYS A 71 11.078 3.995 -17.376 1.00 6.69 H new ATOM 0 HE3 LYS A 71 9.532 4.796 -17.573 1.00 6.69 H new ATOM 0 HZ1 LYS A 71 11.207 5.758 -19.007 1.00 7.88 H new ATOM 0 HZ2 LYS A 71 10.693 6.905 -17.865 1.00 7.88 H new ATOM 0 HZ3 LYS A 71 12.191 6.128 -17.674 1.00 7.88 H new ATOM 1073 N GLN A 72 9.469 -0.428 -15.079 1.00 3.61 N ATOM 1074 CA GLN A 72 10.040 -1.704 -15.519 1.00 5.15 C ATOM 1075 C GLN A 72 10.527 -1.572 -16.977 1.00 4.77 C ATOM 1076 O GLN A 72 10.845 -0.469 -17.422 1.00 4.27 O ATOM 1077 CB GLN A 72 9.018 -2.840 -15.317 1.00 6.30 C ATOM 1078 CG GLN A 72 8.631 -3.042 -13.842 1.00 7.67 C ATOM 1079 CD GLN A 72 7.904 -4.369 -13.631 1.00 8.87 C ATOM 1080 OE1 GLN A 72 8.320 -5.411 -14.106 1.00 9.19 O ATOM 1081 NE2 GLN A 72 6.797 -4.381 -12.925 1.00 9.97 N ATOM 0 H GLN A 72 8.561 -0.226 -15.497 1.00 3.61 H new ATOM 0 HA GLN A 72 10.909 -1.962 -14.913 1.00 5.15 H new ATOM 0 HB2 GLN A 72 8.121 -2.622 -15.896 1.00 6.30 H new ATOM 0 HB3 GLN A 72 9.432 -3.769 -15.709 1.00 6.30 H new ATOM 0 HG2 GLN A 72 9.527 -3.014 -13.222 1.00 7.67 H new ATOM 0 HG3 GLN A 72 7.993 -2.220 -13.516 1.00 7.67 H new ATOM 0 HE21 GLN A 72 6.439 -3.515 -12.523 1.00 9.97 H new ATOM 0 HE22 GLN A 72 6.295 -5.257 -12.779 1.00 9.97 H new ATOM 1090 N GLN A 73 10.587 -2.676 -17.724 1.00 5.55 N ATOM 1091 CA GLN A 73 11.086 -2.766 -19.094 1.00 5.51 C ATOM 1092 C GLN A 73 10.525 -4.039 -19.754 1.00 6.45 C ATOM 1093 O GLN A 73 9.717 -4.732 -19.143 1.00 7.13 O ATOM 1094 CB GLN A 73 12.629 -2.736 -19.092 1.00 6.39 C ATOM 1095 CG GLN A 73 13.264 -3.926 -18.350 1.00 7.68 C ATOM 1096 CD GLN A 73 14.765 -3.993 -18.593 1.00 9.02 C ATOM 1097 OE1 GLN A 73 15.220 -4.334 -19.668 1.00 9.53 O ATOM 1098 NE2 GLN A 73 15.596 -3.643 -17.633 1.00 10.13 N ATOM 0 H GLN A 73 10.271 -3.579 -17.369 1.00 5.55 H new ATOM 0 HA GLN A 73 10.749 -1.911 -19.680 1.00 5.51 H new ATOM 0 HB2 GLN A 73 12.986 -2.728 -20.122 1.00 6.39 H new ATOM 0 HB3 GLN A 73 12.966 -1.808 -18.630 1.00 6.39 H new ATOM 0 HG2 GLN A 73 13.070 -3.836 -17.281 1.00 7.68 H new ATOM 0 HG3 GLN A 73 12.798 -4.854 -18.681 1.00 7.68 H new ATOM 0 HE21 GLN A 73 15.233 -3.354 -16.725 1.00 10.13 H new ATOM 0 HE22 GLN A 73 16.602 -3.661 -17.798 1.00 10.13 H new TER 1107 GLN A 73