USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 1 K(o=1.1,f=-6!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0.125 USER MOD Set 2.1: A 41 MET CE :methyl 156:sc= -0.157 (180deg=-1.46) USER MOD Set 2.2: A 49 MET CE :methyl 177:sc= -6.15! (180deg=-6.22!) USER MOD Single : A 14 ASN : amide:sc= -0.0938 K(o=-0.094,f=-1.6!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 71:sc= 0.156 USER MOD Single : A 19 TYR OH : rot 21:sc= 1.28 USER MOD Single : A 26 SER OG : rot -170:sc= -0.429 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 33 MET CE :methyl -156:sc= -0.162 (180deg=-0.697) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 44 SER OG : rot 180:sc= 0.139 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0.524 (180deg=-0.44) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 148:sc= -0.0685 (180deg=-2.15!) USER MOD Single : A 62 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.14) USER MOD Single : A 80 THR OG1 : rot -80:sc= -0.667 USER MOD Single : A 85 SER OG : rot -86:sc= 1.36 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= 1.19 (180deg=1.03) USER MOD Single : A 87 LYS NZ :NH3+ -117:sc= 0.923 (180deg=-0.857) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 12.091 -1.247 -0.164 1.00 0.88 N ATOM 50 CA ASN A 14 11.182 -0.777 0.880 1.00 0.81 C ATOM 51 C ASN A 14 9.789 -0.502 0.326 1.00 0.64 C ATOM 52 O ASN A 14 8.791 -0.914 0.916 1.00 0.66 O ATOM 53 CB ASN A 14 11.734 0.477 1.563 1.00 0.96 C ATOM 54 CG ASN A 14 11.018 0.796 2.867 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.802 0.949 2.906 1.00 2.24 O ATOM 56 ND2 ASN A 14 11.771 0.903 3.949 1.00 2.24 N ATOM 0 HA ASN A 14 11.102 -1.572 1.621 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.797 0.340 1.761 1.00 0.96 H new ATOM 0 HB3 ASN A 14 11.642 1.326 0.885 1.00 0.96 H new ATOM 0 HD21 ASN A 14 11.343 1.119 4.849 1.00 2.24 H new ATOM 0 HD22 ASN A 14 12.780 0.770 3.883 1.00 2.24 H new ATOM 63 N LEU A 15 9.711 0.183 -0.807 1.00 0.56 N ATOM 64 CA LEU A 15 8.416 0.484 -1.396 1.00 0.48 C ATOM 65 C LEU A 15 7.756 -0.780 -1.929 1.00 0.37 C ATOM 66 O LEU A 15 6.533 -0.923 -1.876 1.00 0.33 O ATOM 67 CB LEU A 15 8.544 1.520 -2.508 1.00 0.58 C ATOM 68 CG LEU A 15 7.397 2.532 -2.565 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.897 3.895 -2.997 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.312 2.067 -3.514 1.00 0.60 C ATOM 0 H LEU A 15 10.514 0.535 -1.328 1.00 0.56 H new ATOM 0 HA LEU A 15 7.786 0.901 -0.611 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.482 2.060 -2.379 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.603 1.002 -3.465 1.00 0.58 H new ATOM 0 HG LEU A 15 6.980 2.610 -1.561 1.00 0.65 H new ATOM 0 HD11 LEU A 15 7.062 4.595 -3.029 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.642 4.251 -2.286 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.347 3.821 -3.987 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.508 2.803 -3.537 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.728 1.953 -4.515 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.917 1.109 -3.174 1.00 0.60 H new ATOM 82 N ARG A 16 8.567 -1.714 -2.420 1.00 0.36 N ATOM 83 CA ARG A 16 8.035 -2.972 -2.927 1.00 0.33 C ATOM 84 C ARG A 16 7.453 -3.766 -1.765 1.00 0.27 C ATOM 85 O ARG A 16 6.430 -4.434 -1.903 1.00 0.28 O ATOM 86 CB ARG A 16 9.103 -3.785 -3.660 1.00 0.40 C ATOM 87 CG ARG A 16 8.530 -4.739 -4.694 1.00 0.65 C ATOM 88 CD ARG A 16 8.890 -4.316 -6.112 1.00 1.29 C ATOM 89 NE ARG A 16 7.880 -3.436 -6.704 1.00 2.05 N ATOM 90 CZ ARG A 16 7.062 -3.798 -7.693 1.00 2.78 C ATOM 91 NH1 ARG A 16 7.128 -5.015 -8.221 1.00 3.11 N ATOM 92 NH2 ARG A 16 6.176 -2.930 -8.163 1.00 3.67 N ATOM 0 H ARG A 16 9.581 -1.624 -2.477 1.00 0.36 H new ATOM 0 HA ARG A 16 7.252 -2.754 -3.653 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.796 -3.102 -4.151 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.680 -4.354 -2.931 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.905 -5.745 -4.508 1.00 0.65 H new ATOM 0 HG3 ARG A 16 7.446 -4.779 -4.591 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.853 -3.805 -6.103 1.00 1.29 H new ATOM 0 HD3 ARG A 16 9.006 -5.203 -6.735 1.00 1.29 H new ATOM 0 HE ARG A 16 7.797 -2.488 -6.337 1.00 2.05 H new ATOM 0 HH11 ARG A 16 7.811 -5.687 -7.870 1.00 3.11 H new ATOM 0 HH12 ARG A 16 6.496 -5.278 -8.977 1.00 3.11 H new ATOM 0 HH21 ARG A 16 6.123 -1.991 -7.768 1.00 3.67 H new ATOM 0 HH22 ARG A 16 5.548 -3.201 -8.919 1.00 3.67 H new ATOM 106 N MET A 17 8.101 -3.647 -0.605 1.00 0.28 N ATOM 107 CA MET A 17 7.639 -4.311 0.607 1.00 0.32 C ATOM 108 C MET A 17 6.287 -3.735 1.006 1.00 0.25 C ATOM 109 O MET A 17 5.365 -4.469 1.351 1.00 0.27 O ATOM 110 CB MET A 17 8.641 -4.122 1.744 1.00 0.45 C ATOM 111 CG MET A 17 8.629 -5.256 2.748 1.00 0.81 C ATOM 112 SD MET A 17 10.214 -6.114 2.821 1.00 1.96 S ATOM 113 CE MET A 17 10.854 -5.530 4.382 1.00 2.93 C ATOM 0 H MET A 17 8.950 -3.094 -0.483 1.00 0.28 H new ATOM 0 HA MET A 17 7.544 -5.379 0.412 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.643 -4.028 1.324 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.423 -3.187 2.260 1.00 0.45 H new ATOM 0 HG2 MET A 17 8.384 -4.863 3.735 1.00 0.81 H new ATOM 0 HG3 MET A 17 7.845 -5.966 2.484 1.00 0.81 H new ATOM 0 HE1 MET A 17 11.832 -5.976 4.564 1.00 2.93 H new ATOM 0 HE2 MET A 17 10.950 -4.445 4.353 1.00 2.93 H new ATOM 0 HE3 MET A 17 10.171 -5.812 5.184 1.00 2.93 H new ATOM 123 N THR A 18 6.175 -2.414 0.924 1.00 0.21 N ATOM 124 CA THR A 18 4.939 -1.712 1.239 1.00 0.20 C ATOM 125 C THR A 18 3.814 -2.181 0.316 1.00 0.19 C ATOM 126 O THR A 18 2.697 -2.454 0.760 1.00 0.23 O ATOM 127 CB THR A 18 5.142 -0.186 1.099 1.00 0.27 C ATOM 128 OG1 THR A 18 6.102 0.267 2.068 1.00 0.38 O ATOM 129 CG2 THR A 18 3.838 0.578 1.277 1.00 0.30 C ATOM 0 H THR A 18 6.938 -1.801 0.637 1.00 0.21 H new ATOM 0 HA THR A 18 4.662 -1.936 2.269 1.00 0.20 H new ATOM 0 HB THR A 18 5.508 0.008 0.091 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.995 -0.046 1.814 1.00 0.38 H new ATOM 0 HG21 THR A 18 4.025 1.647 1.171 1.00 0.30 H new ATOM 0 HG22 THR A 18 3.123 0.258 0.520 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.431 0.377 2.268 1.00 0.30 H new ATOM 137 N TYR A 19 4.126 -2.297 -0.968 1.00 0.21 N ATOM 138 CA TYR A 19 3.154 -2.744 -1.952 1.00 0.28 C ATOM 139 C TYR A 19 2.737 -4.191 -1.689 1.00 0.31 C ATOM 140 O TYR A 19 1.554 -4.521 -1.741 1.00 0.36 O ATOM 141 CB TYR A 19 3.731 -2.602 -3.368 1.00 0.35 C ATOM 142 CG TYR A 19 2.935 -3.345 -4.427 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.707 -2.862 -4.865 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.420 -4.517 -5.000 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.988 -3.525 -5.841 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.703 -5.186 -5.973 1.00 0.59 C ATOM 147 CZ TYR A 19 1.466 -4.725 -6.341 1.00 0.52 C ATOM 148 OH TYR A 19 0.783 -5.336 -7.372 1.00 0.61 O ATOM 0 H TYR A 19 5.048 -2.087 -1.351 1.00 0.21 H new ATOM 0 HA TYR A 19 2.267 -2.116 -1.868 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.771 -1.545 -3.631 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.757 -2.970 -3.372 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.309 -1.954 -4.436 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.373 -4.910 -4.678 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.061 -3.111 -6.211 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.115 -6.068 -6.441 1.00 0.59 H new ATOM 0 HH TYR A 19 0.229 -4.674 -7.835 1.00 0.61 H new ATOM 158 N GLU A 20 3.709 -5.049 -1.406 1.00 0.32 N ATOM 159 CA GLU A 20 3.420 -6.454 -1.146 1.00 0.40 C ATOM 160 C GLU A 20 2.653 -6.630 0.159 1.00 0.35 C ATOM 161 O GLU A 20 1.781 -7.489 0.256 1.00 0.35 O ATOM 162 CB GLU A 20 4.703 -7.272 -1.102 1.00 0.51 C ATOM 163 CG GLU A 20 4.699 -8.433 -2.080 1.00 1.21 C ATOM 164 CD GLU A 20 6.058 -9.068 -2.217 1.00 1.65 C ATOM 165 OE1 GLU A 20 6.558 -9.623 -1.221 1.00 2.35 O ATOM 166 OE2 GLU A 20 6.640 -9.007 -3.324 1.00 1.93 O ATOM 0 H GLU A 20 4.697 -4.800 -1.351 1.00 0.32 H new ATOM 0 HA GLU A 20 2.797 -6.814 -1.965 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.550 -6.622 -1.322 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.849 -7.655 -0.092 1.00 0.51 H new ATOM 0 HG2 GLU A 20 3.982 -9.183 -1.747 1.00 1.21 H new ATOM 0 HG3 GLU A 20 4.364 -8.082 -3.056 1.00 1.21 H new ATOM 173 N ARG A 21 2.968 -5.811 1.153 1.00 0.33 N ATOM 174 CA ARG A 21 2.286 -5.886 2.437 1.00 0.32 C ATOM 175 C ARG A 21 0.806 -5.549 2.265 1.00 0.26 C ATOM 176 O ARG A 21 -0.058 -6.110 2.939 1.00 0.29 O ATOM 177 CB ARG A 21 2.938 -4.947 3.444 1.00 0.34 C ATOM 178 CG ARG A 21 2.959 -5.492 4.864 1.00 0.48 C ATOM 179 CD ARG A 21 1.792 -4.965 5.680 1.00 0.87 C ATOM 180 NE ARG A 21 1.657 -5.665 6.959 1.00 1.73 N ATOM 181 CZ ARG A 21 2.005 -5.148 8.144 1.00 2.60 C ATOM 182 NH1 ARG A 21 2.503 -3.917 8.217 1.00 2.99 N ATOM 183 NH2 ARG A 21 1.854 -5.867 9.257 1.00 3.57 N ATOM 0 H ARG A 21 3.688 -5.091 1.096 1.00 0.33 H new ATOM 0 HA ARG A 21 2.369 -6.903 2.819 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.961 -4.743 3.128 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.406 -3.996 3.437 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.923 -6.581 4.837 1.00 0.48 H new ATOM 0 HG3 ARG A 21 3.896 -5.216 5.347 1.00 0.48 H new ATOM 0 HD2 ARG A 21 1.929 -3.899 5.863 1.00 0.87 H new ATOM 0 HD3 ARG A 21 0.871 -5.074 5.108 1.00 0.87 H new ATOM 0 HE ARG A 21 1.272 -6.610 6.946 1.00 1.73 H new ATOM 0 HH11 ARG A 21 2.621 -3.363 7.368 1.00 2.99 H new ATOM 0 HH12 ARG A 21 2.767 -3.526 9.122 1.00 2.99 H new ATOM 0 HH21 ARG A 21 1.473 -6.812 9.206 1.00 3.57 H new ATOM 0 HH22 ARG A 21 2.119 -5.472 10.159 1.00 3.57 H new ATOM 197 N LEU A 22 0.518 -4.659 1.318 1.00 0.22 N ATOM 198 CA LEU A 22 -0.857 -4.277 1.015 1.00 0.20 C ATOM 199 C LEU A 22 -1.528 -5.393 0.234 1.00 0.23 C ATOM 200 O LEU A 22 -2.725 -5.623 0.365 1.00 0.24 O ATOM 201 CB LEU A 22 -0.897 -2.994 0.188 1.00 0.22 C ATOM 202 CG LEU A 22 -0.744 -1.695 0.972 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.099 -0.635 0.101 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.101 -1.217 1.458 1.00 0.33 C ATOM 0 H LEU A 22 1.220 -4.189 0.747 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.382 -4.104 1.954 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.105 -3.041 -0.559 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.843 -2.961 -0.352 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.105 -1.877 1.836 1.00 0.24 H new ATOM 0 HD11 LEU A 22 0.006 0.289 0.670 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.885 -0.977 -0.220 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.723 -0.454 -0.774 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -1.981 -0.289 2.017 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.754 -1.044 0.602 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.544 -1.975 2.104 1.00 0.33 H new ATOM 216 N ARG A 23 -0.737 -6.094 -0.574 1.00 0.27 N ATOM 217 CA ARG A 23 -1.248 -7.201 -1.371 1.00 0.32 C ATOM 218 C ARG A 23 -1.597 -8.377 -0.461 1.00 0.31 C ATOM 219 O ARG A 23 -2.628 -9.031 -0.636 1.00 0.34 O ATOM 220 CB ARG A 23 -0.211 -7.628 -2.414 1.00 0.39 C ATOM 221 CG ARG A 23 -0.768 -8.505 -3.521 1.00 0.82 C ATOM 222 CD ARG A 23 0.161 -8.522 -4.723 1.00 1.40 C ATOM 223 NE ARG A 23 -0.225 -9.533 -5.705 1.00 1.98 N ATOM 224 CZ ARG A 23 -0.533 -9.253 -6.967 1.00 2.61 C ATOM 225 NH1 ARG A 23 -0.532 -7.996 -7.389 1.00 3.01 N ATOM 226 NH2 ARG A 23 -0.865 -10.226 -7.804 1.00 3.33 N ATOM 0 H ARG A 23 0.260 -5.914 -0.693 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.149 -6.876 -1.891 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.229 -6.736 -2.859 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.594 -8.164 -1.911 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.907 -9.520 -3.150 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.750 -8.138 -3.821 1.00 0.82 H new ATOM 0 HD2 ARG A 23 0.159 -7.540 -5.195 1.00 1.40 H new ATOM 0 HD3 ARG A 23 1.181 -8.713 -4.389 1.00 1.40 H new ATOM 0 HE ARG A 23 -0.260 -10.507 -5.405 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -0.295 -7.242 -6.745 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -0.769 -7.783 -8.358 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -0.885 -11.193 -7.480 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -1.101 -10.008 -8.772 1.00 3.33 H new ATOM 240 N GLU A 24 -0.744 -8.628 0.526 1.00 0.31 N ATOM 241 CA GLU A 24 -0.967 -9.713 1.470 1.00 0.33 C ATOM 242 C GLU A 24 -2.174 -9.413 2.345 1.00 0.28 C ATOM 243 O GLU A 24 -2.945 -10.310 2.691 1.00 0.30 O ATOM 244 CB GLU A 24 0.269 -9.924 2.347 1.00 0.38 C ATOM 245 CG GLU A 24 0.587 -11.388 2.609 1.00 0.61 C ATOM 246 CD GLU A 24 0.778 -12.178 1.330 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.903 -12.165 0.783 1.00 2.24 O ATOM 248 OE2 GLU A 24 -0.195 -12.804 0.856 1.00 2.36 O ATOM 0 H GLU A 24 0.109 -8.093 0.692 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.156 -10.625 0.904 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.128 -9.454 1.868 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.119 -9.417 3.300 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.491 -11.458 3.214 1.00 0.61 H new ATOM 0 HG3 GLU A 24 -0.220 -11.833 3.190 1.00 0.61 H new ATOM 255 N LEU A 25 -2.331 -8.141 2.683 1.00 0.24 N ATOM 256 CA LEU A 25 -3.441 -7.700 3.505 1.00 0.22 C ATOM 257 C LEU A 25 -4.729 -7.690 2.689 1.00 0.18 C ATOM 258 O LEU A 25 -5.811 -7.967 3.205 1.00 0.20 O ATOM 259 CB LEU A 25 -3.147 -6.307 4.067 1.00 0.22 C ATOM 260 CG LEU A 25 -3.553 -6.080 5.529 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.510 -4.919 5.647 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.188 -7.321 6.133 1.00 0.28 C ATOM 0 H LEU A 25 -1.697 -7.395 2.397 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.569 -8.393 4.337 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.078 -6.115 3.972 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.659 -5.570 3.448 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.641 -5.854 6.082 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.783 -4.778 6.693 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -4.032 -4.014 5.271 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.406 -5.126 5.062 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.462 -7.122 7.169 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.080 -7.586 5.566 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.478 -8.147 6.098 1.00 0.28 H new ATOM 274 N SER A 26 -4.596 -7.380 1.406 1.00 0.17 N ATOM 275 CA SER A 26 -5.729 -7.335 0.497 1.00 0.16 C ATOM 276 C SER A 26 -6.367 -8.716 0.355 1.00 0.19 C ATOM 277 O SER A 26 -7.586 -8.848 0.279 1.00 0.22 O ATOM 278 CB SER A 26 -5.272 -6.810 -0.869 1.00 0.19 C ATOM 279 OG SER A 26 -5.704 -5.476 -1.077 1.00 0.86 O ATOM 0 H SER A 26 -3.702 -7.154 0.969 1.00 0.17 H new ATOM 0 HA SER A 26 -6.481 -6.660 0.905 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.185 -6.857 -0.934 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.667 -7.450 -1.658 1.00 0.19 H new ATOM 0 HG SER A 26 -5.539 -5.220 -2.009 1.00 0.86 H new ATOM 285 N LEU A 27 -5.545 -9.751 0.351 1.00 0.23 N ATOM 286 CA LEU A 27 -6.051 -11.110 0.244 1.00 0.28 C ATOM 287 C LEU A 27 -6.616 -11.553 1.582 1.00 0.29 C ATOM 288 O LEU A 27 -7.574 -12.325 1.653 1.00 0.34 O ATOM 289 CB LEU A 27 -4.938 -12.056 -0.198 1.00 0.33 C ATOM 290 CG LEU A 27 -5.029 -12.507 -1.657 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.441 -11.460 -2.587 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.335 -13.848 -1.850 1.00 0.60 C ATOM 0 H LEU A 27 -4.530 -9.678 0.420 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.844 -11.136 -0.504 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.978 -11.564 -0.042 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.952 -12.938 0.443 1.00 0.33 H new ATOM 0 HG LEU A 27 -6.083 -12.628 -1.908 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.518 -11.805 -3.618 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -4.990 -10.525 -2.475 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.393 -11.298 -2.336 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.412 -14.150 -2.894 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.284 -13.757 -1.575 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.812 -14.598 -1.219 1.00 0.60 H new ATOM 304 N ASN A 28 -6.013 -11.048 2.646 1.00 0.28 N ATOM 305 CA ASN A 28 -6.433 -11.374 3.998 1.00 0.35 C ATOM 306 C ASN A 28 -7.809 -10.793 4.306 1.00 0.35 C ATOM 307 O ASN A 28 -8.733 -11.518 4.659 1.00 0.42 O ATOM 308 CB ASN A 28 -5.408 -10.845 5.004 1.00 0.41 C ATOM 309 CG ASN A 28 -5.287 -11.742 6.220 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.237 -11.905 6.989 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.114 -12.323 6.409 1.00 1.31 N ATOM 0 H ASN A 28 -5.223 -10.404 2.597 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.498 -12.459 4.079 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.436 -10.759 4.519 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.696 -9.842 5.321 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -3.970 -12.932 7.215 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.353 -12.162 5.749 1.00 1.31 H new ATOM 318 N LEU A 29 -7.941 -9.478 4.161 1.00 0.33 N ATOM 319 CA LEU A 29 -9.207 -8.810 4.425 1.00 0.38 C ATOM 320 C LEU A 29 -10.249 -9.204 3.392 1.00 0.40 C ATOM 321 O LEU A 29 -11.436 -9.272 3.691 1.00 0.49 O ATOM 322 CB LEU A 29 -9.032 -7.297 4.419 1.00 0.40 C ATOM 323 CG LEU A 29 -8.072 -6.754 5.470 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.744 -5.315 5.161 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.666 -6.873 6.861 1.00 0.39 C ATOM 0 H LEU A 29 -7.188 -8.857 3.863 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.548 -9.124 5.412 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.679 -6.991 3.434 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.007 -6.833 4.566 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.157 -7.345 5.445 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.057 -4.929 5.914 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -7.278 -5.251 4.178 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.660 -4.724 5.167 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.961 -6.479 7.593 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.595 -6.305 6.910 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.869 -7.921 7.081 1.00 0.39 H new ATOM 337 N GLY A 30 -9.796 -9.456 2.170 1.00 0.35 N ATOM 338 CA GLY A 30 -10.705 -9.835 1.111 1.00 0.43 C ATOM 339 C GLY A 30 -11.438 -11.125 1.423 1.00 0.53 C ATOM 340 O GLY A 30 -12.609 -11.275 1.087 1.00 0.65 O ATOM 0 H GLY A 30 -8.815 -9.404 1.896 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.429 -9.036 0.952 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.149 -9.950 0.181 1.00 0.43 H new ATOM 344 N ASN A 31 -10.744 -12.054 2.072 1.00 0.53 N ATOM 345 CA ASN A 31 -11.323 -13.342 2.434 1.00 0.66 C ATOM 346 C ASN A 31 -12.023 -13.267 3.796 1.00 0.71 C ATOM 347 O ASN A 31 -12.815 -14.141 4.153 1.00 0.84 O ATOM 348 CB ASN A 31 -10.212 -14.408 2.436 1.00 0.70 C ATOM 349 CG ASN A 31 -10.000 -15.078 3.787 1.00 1.17 C ATOM 350 OD1 ASN A 31 -9.282 -14.558 4.645 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.607 -16.239 3.981 1.00 1.52 N ATOM 0 H ASN A 31 -9.772 -11.937 2.360 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.081 -13.617 1.700 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -10.454 -15.172 1.697 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.277 -13.944 2.121 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.489 -16.735 4.864 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -11.193 -16.637 3.247 1.00 1.52 H new ATOM 358 N ARG A 32 -11.738 -12.207 4.549 1.00 0.66 N ATOM 359 CA ARG A 32 -12.346 -12.013 5.860 1.00 0.77 C ATOM 360 C ARG A 32 -13.605 -11.167 5.726 1.00 0.86 C ATOM 361 O ARG A 32 -14.333 -10.936 6.692 1.00 1.01 O ATOM 362 CB ARG A 32 -11.355 -11.342 6.821 1.00 0.76 C ATOM 363 CG ARG A 32 -11.634 -11.630 8.293 1.00 0.91 C ATOM 364 CD ARG A 32 -10.566 -11.035 9.193 1.00 1.14 C ATOM 365 NE ARG A 32 -11.145 -10.364 10.356 1.00 2.09 N ATOM 366 CZ ARG A 32 -10.540 -9.397 11.047 1.00 2.75 C ATOM 367 NH1 ARG A 32 -9.324 -8.984 10.714 1.00 2.70 N ATOM 368 NH2 ARG A 32 -11.162 -8.843 12.083 1.00 3.82 N ATOM 0 H ARG A 32 -11.089 -11.470 4.272 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.613 -12.987 6.269 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.346 -11.677 6.580 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.380 -10.264 6.660 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.608 -11.223 8.565 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.684 -12.707 8.450 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -9.892 -11.824 9.527 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -9.967 -10.324 8.624 1.00 1.14 H new ATOM 0 HE ARG A 32 -12.074 -10.655 10.659 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -8.841 -9.407 9.921 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -8.872 -8.244 11.251 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -12.096 -9.158 12.345 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -10.705 -8.103 12.616 1.00 3.82 H new ATOM 382 N MET A 33 -13.868 -10.731 4.509 1.00 0.83 N ATOM 383 CA MET A 33 -15.044 -9.936 4.225 1.00 0.96 C ATOM 384 C MET A 33 -16.151 -10.846 3.726 1.00 1.17 C ATOM 385 O MET A 33 -15.884 -11.909 3.161 1.00 1.55 O ATOM 386 CB MET A 33 -14.731 -8.856 3.186 1.00 0.80 C ATOM 387 CG MET A 33 -14.880 -7.440 3.719 1.00 0.95 C ATOM 388 SD MET A 33 -14.186 -7.240 5.369 1.00 1.18 S ATOM 389 CE MET A 33 -12.677 -6.358 4.978 1.00 1.84 C ATOM 0 H MET A 33 -13.278 -10.916 3.698 1.00 0.83 H new ATOM 0 HA MET A 33 -15.367 -9.437 5.138 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.712 -8.995 2.825 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.392 -8.985 2.329 1.00 0.80 H new ATOM 0 HG2 MET A 33 -14.389 -6.746 3.037 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.937 -7.173 3.739 1.00 0.95 H new ATOM 0 HE1 MET A 33 -11.945 -6.521 5.769 1.00 1.84 H new ATOM 0 HE2 MET A 33 -12.277 -6.723 4.032 1.00 1.84 H new ATOM 0 HE3 MET A 33 -12.890 -5.292 4.894 1.00 1.84 H new ATOM 399 N VAL A 34 -17.383 -10.433 3.943 1.00 1.22 N ATOM 400 CA VAL A 34 -18.528 -11.216 3.517 1.00 1.41 C ATOM 401 C VAL A 34 -19.388 -10.410 2.554 1.00 1.54 C ATOM 402 O VAL A 34 -19.953 -9.386 2.938 1.00 1.66 O ATOM 403 CB VAL A 34 -19.394 -11.664 4.714 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.127 -12.950 4.374 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.551 -11.838 5.965 1.00 1.64 C ATOM 0 H VAL A 34 -17.619 -9.559 4.412 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.143 -12.106 3.019 1.00 1.41 H new ATOM 0 HB VAL A 34 -20.129 -10.885 4.917 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.735 -13.258 5.225 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.770 -12.785 3.509 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.403 -13.732 4.144 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -19.187 -12.154 6.792 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.786 -12.594 5.786 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -18.073 -10.891 6.216 1.00 1.64 H new ATOM 415 N PRO A 35 -19.484 -10.848 1.290 1.00 1.58 N ATOM 416 CA PRO A 35 -18.813 -12.050 0.809 1.00 1.51 C ATOM 417 C PRO A 35 -17.372 -11.767 0.377 1.00 1.32 C ATOM 418 O PRO A 35 -16.998 -10.608 0.181 1.00 1.30 O ATOM 419 CB PRO A 35 -19.681 -12.473 -0.381 1.00 1.71 C ATOM 420 CG PRO A 35 -20.309 -11.216 -0.892 1.00 1.86 C ATOM 421 CD PRO A 35 -20.271 -10.201 0.227 1.00 1.75 C ATOM 0 HA PRO A 35 -18.723 -12.820 1.575 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.079 -12.952 -1.154 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.440 -13.193 -0.075 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.770 -10.845 -1.764 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.336 -11.401 -1.207 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -19.807 -9.270 -0.098 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.275 -9.954 0.572 1.00 1.75 H new ATOM 429 N PRO A 36 -16.532 -12.815 0.257 1.00 1.22 N ATOM 430 CA PRO A 36 -15.125 -12.664 -0.127 1.00 1.08 C ATOM 431 C PRO A 36 -14.942 -11.815 -1.383 1.00 1.17 C ATOM 432 O PRO A 36 -15.481 -12.118 -2.456 1.00 1.42 O ATOM 433 CB PRO A 36 -14.656 -14.102 -0.352 1.00 1.12 C ATOM 434 CG PRO A 36 -15.537 -14.912 0.531 1.00 1.14 C ATOM 435 CD PRO A 36 -16.877 -14.224 0.518 1.00 1.27 C ATOM 0 HA PRO A 36 -14.550 -12.139 0.636 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.759 -14.396 -1.396 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.606 -14.225 -0.088 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.620 -15.936 0.167 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.134 -14.965 1.543 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.529 -14.628 -0.256 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.399 -14.341 1.468 1.00 1.27 H new ATOM 443 N VAL A 37 -14.198 -10.734 -1.213 1.00 0.99 N ATOM 444 CA VAL A 37 -13.935 -9.788 -2.289 1.00 1.08 C ATOM 445 C VAL A 37 -12.906 -10.330 -3.268 1.00 1.24 C ATOM 446 O VAL A 37 -12.986 -10.084 -4.475 1.00 2.02 O ATOM 447 CB VAL A 37 -13.410 -8.434 -1.751 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.738 -7.319 -2.739 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.986 -8.121 -0.374 1.00 0.81 C ATOM 0 H VAL A 37 -13.759 -10.486 -0.326 1.00 0.99 H new ATOM 0 HA VAL A 37 -14.889 -9.638 -2.794 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.328 -8.506 -1.644 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.366 -6.370 -2.353 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.265 -7.532 -3.698 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.818 -7.257 -2.873 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.597 -7.164 -0.026 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -15.073 -8.070 -0.437 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.700 -8.905 0.327 1.00 0.81 H new ATOM 459 N GLY A 38 -11.915 -11.039 -2.736 1.00 1.18 N ATOM 460 CA GLY A 38 -10.856 -11.574 -3.566 1.00 1.27 C ATOM 461 C GLY A 38 -9.873 -10.488 -3.927 1.00 1.09 C ATOM 462 O GLY A 38 -8.772 -10.424 -3.372 1.00 1.23 O ATOM 0 H GLY A 38 -11.828 -11.252 -1.742 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.342 -12.378 -3.039 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -11.279 -12.007 -4.473 1.00 1.27 H new ATOM 466 N ASN A 39 -10.300 -9.602 -4.818 1.00 0.92 N ATOM 467 CA ASN A 39 -9.492 -8.466 -5.237 1.00 0.82 C ATOM 468 C ASN A 39 -9.886 -7.250 -4.402 1.00 0.64 C ATOM 469 O ASN A 39 -10.538 -6.330 -4.890 1.00 0.74 O ATOM 470 CB ASN A 39 -9.681 -8.177 -6.734 1.00 0.99 C ATOM 471 CG ASN A 39 -8.727 -7.109 -7.247 1.00 1.44 C ATOM 472 OD1 ASN A 39 -7.507 -7.225 -7.103 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.275 -6.064 -7.855 1.00 2.13 N ATOM 0 H ASN A 39 -11.214 -9.651 -5.269 1.00 0.92 H new ATOM 0 HA ASN A 39 -8.438 -8.696 -5.080 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.530 -9.096 -7.300 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.708 -7.858 -6.912 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -8.683 -5.320 -8.223 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.288 -6.005 -7.954 1.00 2.13 H new ATOM 480 N PHE A 40 -9.495 -7.290 -3.128 1.00 0.46 N ATOM 481 CA PHE A 40 -9.781 -6.237 -2.153 1.00 0.32 C ATOM 482 C PHE A 40 -9.432 -4.868 -2.729 1.00 0.28 C ATOM 483 O PHE A 40 -10.310 -4.118 -3.163 1.00 0.52 O ATOM 484 CB PHE A 40 -8.982 -6.533 -0.882 1.00 0.24 C ATOM 485 CG PHE A 40 -9.237 -5.616 0.283 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.531 -5.234 0.573 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.201 -5.122 1.059 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.804 -4.389 1.626 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.462 -4.273 2.114 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.646 -3.951 2.463 1.00 0.33 C ATOM 0 H PHE A 40 -8.962 -8.067 -2.738 1.00 0.46 H new ATOM 0 HA PHE A 40 -10.844 -6.219 -1.913 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.199 -7.555 -0.570 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -7.920 -6.493 -1.126 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.343 -5.604 -0.036 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.182 -5.404 0.836 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.810 -4.058 1.837 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.630 -3.864 2.668 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.810 -3.367 3.356 1.00 0.33 H new ATOM 500 N MET A 41 -8.153 -4.554 -2.751 1.00 0.22 N ATOM 501 CA MET A 41 -7.696 -3.304 -3.303 1.00 0.18 C ATOM 502 C MET A 41 -7.002 -3.573 -4.631 1.00 0.20 C ATOM 503 O MET A 41 -6.093 -4.403 -4.699 1.00 0.24 O ATOM 504 CB MET A 41 -6.747 -2.621 -2.324 1.00 0.17 C ATOM 505 CG MET A 41 -6.555 -1.144 -2.586 1.00 0.21 C ATOM 506 SD MET A 41 -8.107 -0.221 -2.530 1.00 0.28 S ATOM 507 CE MET A 41 -8.242 0.136 -0.778 1.00 0.25 C ATOM 0 H MET A 41 -7.411 -5.154 -2.390 1.00 0.22 H new ATOM 0 HA MET A 41 -8.543 -2.640 -3.473 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.128 -2.754 -1.311 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.777 -3.117 -2.367 1.00 0.17 H new ATOM 0 HG2 MET A 41 -5.866 -0.734 -1.847 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.092 -1.009 -3.563 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.868 1.017 -0.633 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.691 -0.716 -0.267 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.250 0.324 -0.368 1.00 0.25 H new ATOM 517 N PRO A 42 -7.447 -2.908 -5.709 1.00 0.20 N ATOM 518 CA PRO A 42 -6.881 -3.088 -7.051 1.00 0.24 C ATOM 519 C PRO A 42 -5.364 -2.904 -7.073 1.00 0.21 C ATOM 520 O PRO A 42 -4.818 -2.088 -6.324 1.00 0.20 O ATOM 521 CB PRO A 42 -7.560 -1.993 -7.870 1.00 0.29 C ATOM 522 CG PRO A 42 -8.856 -1.770 -7.178 1.00 0.27 C ATOM 523 CD PRO A 42 -8.567 -1.951 -5.714 1.00 0.23 C ATOM 0 HA PRO A 42 -7.051 -4.095 -7.432 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -6.960 -1.083 -7.894 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -7.709 -2.304 -8.904 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.242 -0.771 -7.381 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.610 -2.479 -7.520 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.294 -1.009 -5.238 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.432 -2.341 -5.178 1.00 0.23 H new ATOM 531 N ASP A 43 -4.700 -3.670 -7.936 1.00 0.23 N ATOM 532 CA ASP A 43 -3.244 -3.623 -8.079 1.00 0.23 C ATOM 533 C ASP A 43 -2.752 -2.195 -8.318 1.00 0.22 C ATOM 534 O ASP A 43 -1.775 -1.754 -7.709 1.00 0.23 O ATOM 535 CB ASP A 43 -2.816 -4.527 -9.241 1.00 0.29 C ATOM 536 CG ASP A 43 -1.510 -4.099 -9.881 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.440 -4.440 -9.342 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.550 -3.422 -10.927 1.00 1.08 O ATOM 0 H ASP A 43 -5.154 -4.341 -8.556 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.796 -3.978 -7.151 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.718 -5.551 -8.879 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.600 -4.530 -9.998 1.00 0.29 H new ATOM 543 N SER A 44 -3.446 -1.484 -9.194 1.00 0.23 N ATOM 544 CA SER A 44 -3.105 -0.111 -9.519 1.00 0.25 C ATOM 545 C SER A 44 -3.207 0.787 -8.285 1.00 0.23 C ATOM 546 O SER A 44 -2.363 1.659 -8.067 1.00 0.26 O ATOM 547 CB SER A 44 -4.048 0.387 -10.612 1.00 0.32 C ATOM 548 OG SER A 44 -4.915 -0.660 -11.024 1.00 0.57 O ATOM 0 H SER A 44 -4.258 -1.843 -9.697 1.00 0.23 H new ATOM 0 HA SER A 44 -2.074 -0.074 -9.872 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.633 1.229 -10.242 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.471 0.748 -11.464 1.00 0.32 H new ATOM 0 HG SER A 44 -5.517 -0.330 -11.724 1.00 0.57 H new ATOM 554 N ILE A 45 -4.241 0.561 -7.477 1.00 0.21 N ATOM 555 CA ILE A 45 -4.446 1.350 -6.265 1.00 0.21 C ATOM 556 C ILE A 45 -3.408 1.000 -5.212 1.00 0.17 C ATOM 557 O ILE A 45 -2.930 1.873 -4.490 1.00 0.18 O ATOM 558 CB ILE A 45 -5.855 1.143 -5.670 1.00 0.24 C ATOM 559 CG1 ILE A 45 -6.920 1.348 -6.753 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.084 2.092 -4.488 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.206 2.801 -7.062 1.00 0.34 C ATOM 0 H ILE A 45 -4.946 -0.158 -7.639 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.343 2.396 -6.553 1.00 0.21 H new ATOM 0 HB ILE A 45 -5.934 0.121 -5.300 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.596 0.849 -7.666 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -7.844 0.865 -6.436 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.082 1.932 -4.081 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.341 1.896 -3.715 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.991 3.124 -4.827 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -7.969 2.865 -7.837 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.561 3.302 -6.161 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.294 3.285 -7.410 1.00 0.34 H new ATOM 573 N LEU A 46 -3.049 -0.277 -5.132 1.00 0.16 N ATOM 574 CA LEU A 46 -2.054 -0.720 -4.163 1.00 0.16 C ATOM 575 C LEU A 46 -0.721 -0.033 -4.435 1.00 0.16 C ATOM 576 O LEU A 46 0.011 0.300 -3.513 1.00 0.19 O ATOM 577 CB LEU A 46 -1.862 -2.242 -4.218 1.00 0.18 C ATOM 578 CG LEU A 46 -3.067 -3.090 -3.812 1.00 0.18 C ATOM 579 CD1 LEU A 46 -2.822 -4.545 -4.164 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.336 -2.959 -2.326 1.00 0.19 C ATOM 0 H LEU A 46 -3.429 -1.018 -5.721 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.413 -0.452 -3.169 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.578 -2.515 -5.234 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.025 -2.505 -3.572 1.00 0.18 H new ATOM 0 HG LEU A 46 -3.940 -2.731 -4.357 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -3.686 -5.141 -3.871 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -2.665 -4.638 -5.239 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -1.938 -4.903 -3.636 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.198 -3.570 -2.057 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.463 -3.296 -1.767 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.541 -1.916 -2.084 1.00 0.19 H new ATOM 592 N LYS A 47 -0.413 0.167 -5.710 1.00 0.17 N ATOM 593 CA LYS A 47 0.838 0.798 -6.103 1.00 0.19 C ATOM 594 C LYS A 47 0.877 2.279 -5.743 1.00 0.18 C ATOM 595 O LYS A 47 1.845 2.746 -5.142 1.00 0.20 O ATOM 596 CB LYS A 47 1.051 0.630 -7.603 1.00 0.24 C ATOM 597 CG LYS A 47 1.631 -0.716 -7.998 1.00 0.31 C ATOM 598 CD LYS A 47 1.985 -0.753 -9.474 1.00 0.44 C ATOM 599 CE LYS A 47 1.828 -2.156 -10.030 1.00 0.88 C ATOM 600 NZ LYS A 47 0.806 -2.216 -11.105 1.00 0.97 N ATOM 0 H LYS A 47 -1.014 -0.099 -6.490 1.00 0.17 H new ATOM 0 HA LYS A 47 1.639 0.305 -5.552 1.00 0.19 H new ATOM 0 HB2 LYS A 47 0.097 0.766 -8.112 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.716 1.418 -7.956 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.521 -0.919 -7.403 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.912 -1.504 -7.775 1.00 0.31 H new ATOM 0 HD2 LYS A 47 1.343 -0.065 -10.024 1.00 0.44 H new ATOM 0 HD3 LYS A 47 3.011 -0.414 -9.615 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.786 -2.501 -10.420 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.548 -2.836 -9.225 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.017 -3.012 -11.740 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 -0.135 -2.350 -10.682 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.819 -1.328 -11.646 1.00 0.97 H new ATOM 614 N LYS A 48 -0.160 3.024 -6.112 1.00 0.17 N ATOM 615 CA LYS A 48 -0.191 4.460 -5.819 1.00 0.18 C ATOM 616 C LYS A 48 -0.276 4.707 -4.318 1.00 0.18 C ATOM 617 O LYS A 48 0.362 5.621 -3.793 1.00 0.20 O ATOM 618 CB LYS A 48 -1.362 5.150 -6.525 1.00 0.20 C ATOM 619 CG LYS A 48 -2.655 4.358 -6.503 1.00 0.31 C ATOM 620 CD LYS A 48 -3.759 5.056 -7.276 1.00 0.32 C ATOM 621 CE LYS A 48 -3.971 4.415 -8.637 1.00 0.45 C ATOM 622 NZ LYS A 48 -3.431 5.245 -9.747 1.00 0.77 N ATOM 0 H LYS A 48 -0.979 2.669 -6.606 1.00 0.17 H new ATOM 0 HA LYS A 48 0.738 4.887 -6.196 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.534 6.119 -6.056 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.084 5.342 -7.561 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.483 3.370 -6.929 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.972 4.210 -5.471 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.687 5.017 -6.705 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.507 6.109 -7.403 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.492 3.436 -8.653 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -5.037 4.250 -8.796 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -3.600 4.765 -10.654 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -3.906 6.170 -9.751 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -2.409 5.381 -9.613 1.00 0.77 H new ATOM 636 N MET A 49 -1.062 3.889 -3.633 1.00 0.17 N ATOM 637 CA MET A 49 -1.234 4.020 -2.198 1.00 0.17 C ATOM 638 C MET A 49 0.054 3.639 -1.469 1.00 0.17 C ATOM 639 O MET A 49 0.345 4.169 -0.400 1.00 0.19 O ATOM 640 CB MET A 49 -2.439 3.193 -1.726 1.00 0.17 C ATOM 641 CG MET A 49 -2.112 2.086 -0.744 1.00 0.19 C ATOM 642 SD MET A 49 -3.281 2.023 0.626 1.00 1.07 S ATOM 643 CE MET A 49 -4.474 0.842 0.007 1.00 0.22 C ATOM 0 H MET A 49 -1.592 3.125 -4.052 1.00 0.17 H new ATOM 0 HA MET A 49 -1.444 5.062 -1.955 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.163 3.865 -1.265 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.923 2.753 -2.598 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.114 1.129 -1.265 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.105 2.235 -0.354 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.232 0.658 0.768 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.949 1.240 -0.890 1.00 0.22 H new ATOM 0 HE3 MET A 49 -3.969 -0.093 -0.235 1.00 0.22 H new ATOM 653 N ALA A 50 0.827 2.733 -2.058 1.00 0.16 N ATOM 654 CA ALA A 50 2.087 2.311 -1.458 1.00 0.17 C ATOM 655 C ALA A 50 3.196 3.320 -1.737 1.00 0.18 C ATOM 656 O ALA A 50 4.111 3.488 -0.935 1.00 0.22 O ATOM 657 CB ALA A 50 2.506 0.943 -1.974 1.00 0.19 C ATOM 0 H ALA A 50 0.605 2.279 -2.944 1.00 0.16 H new ATOM 0 HA ALA A 50 1.927 2.251 -0.381 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.449 0.652 -1.510 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.738 0.210 -1.726 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.631 0.985 -3.056 1.00 0.19 H new ATOM 663 N ALA A 51 3.122 3.981 -2.885 1.00 0.18 N ATOM 664 CA ALA A 51 4.137 4.954 -3.259 1.00 0.22 C ATOM 665 C ALA A 51 3.926 6.277 -2.541 1.00 0.24 C ATOM 666 O ALA A 51 4.886 6.921 -2.115 1.00 0.30 O ATOM 667 CB ALA A 51 4.124 5.185 -4.758 1.00 0.25 C ATOM 0 H ALA A 51 2.374 3.862 -3.569 1.00 0.18 H new ATOM 0 HA ALA A 51 5.104 4.549 -2.963 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.889 5.915 -5.020 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.327 4.246 -5.273 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.146 5.560 -5.060 1.00 0.25 H new ATOM 673 N ILE A 52 2.673 6.689 -2.419 1.00 0.24 N ATOM 674 CA ILE A 52 2.354 7.948 -1.763 1.00 0.28 C ATOM 675 C ILE A 52 2.163 7.750 -0.268 1.00 0.26 C ATOM 676 O ILE A 52 2.524 8.623 0.528 1.00 0.31 O ATOM 677 CB ILE A 52 1.077 8.583 -2.365 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.408 9.266 -3.689 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.426 9.573 -1.395 1.00 0.35 C ATOM 680 CD1 ILE A 52 0.950 8.481 -4.902 1.00 0.37 C ATOM 0 H ILE A 52 1.864 6.173 -2.764 1.00 0.24 H new ATOM 0 HA ILE A 52 3.195 8.621 -1.928 1.00 0.28 H new ATOM 0 HB ILE A 52 0.357 7.785 -2.546 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.944 10.252 -3.707 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.485 9.420 -3.751 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.467 9.998 -1.853 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.151 9.055 -0.476 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.130 10.372 -1.164 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.217 9.024 -5.809 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.434 7.505 -4.908 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -0.131 8.349 -4.863 1.00 0.37 H new ATOM 692 N LEU A 53 1.594 6.607 0.093 1.00 0.21 N ATOM 693 CA LEU A 53 1.324 6.275 1.485 1.00 0.21 C ATOM 694 C LEU A 53 0.533 7.403 2.144 1.00 0.23 C ATOM 695 O LEU A 53 1.046 8.152 2.982 1.00 0.27 O ATOM 696 CB LEU A 53 2.625 5.966 2.226 1.00 0.24 C ATOM 697 CG LEU A 53 3.072 4.505 2.120 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.457 4.304 2.701 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.082 3.597 2.827 1.00 0.35 C ATOM 0 H LEU A 53 1.308 5.886 -0.569 1.00 0.21 H new ATOM 0 HA LEU A 53 0.713 5.374 1.532 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.415 6.606 1.834 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.501 6.222 3.278 1.00 0.24 H new ATOM 0 HG LEU A 53 3.107 4.248 1.061 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.742 3.256 2.609 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.172 4.923 2.159 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.455 4.588 3.753 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.413 2.562 2.743 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.021 3.874 3.879 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.099 3.702 2.367 1.00 0.35 H new ATOM 711 N PRO A 54 -0.738 7.544 1.738 1.00 0.24 N ATOM 712 CA PRO A 54 -1.627 8.585 2.237 1.00 0.30 C ATOM 713 C PRO A 54 -2.091 8.320 3.663 1.00 0.40 C ATOM 714 O PRO A 54 -2.899 7.421 3.909 1.00 0.48 O ATOM 715 CB PRO A 54 -2.824 8.554 1.267 1.00 0.36 C ATOM 716 CG PRO A 54 -2.458 7.593 0.179 1.00 0.25 C ATOM 717 CD PRO A 54 -1.399 6.700 0.738 1.00 0.23 C ATOM 0 HA PRO A 54 -1.125 9.552 2.275 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.731 8.234 1.779 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.020 9.546 0.860 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.327 7.014 -0.135 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.093 8.124 -0.700 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.825 5.803 1.187 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.703 6.370 -0.033 1.00 0.23 H new ATOM 725 N MET A 55 -1.580 9.109 4.593 1.00 0.49 N ATOM 726 CA MET A 55 -1.944 8.967 5.989 1.00 0.64 C ATOM 727 C MET A 55 -3.283 9.635 6.260 1.00 0.72 C ATOM 728 O MET A 55 -3.967 9.304 7.228 1.00 1.02 O ATOM 729 CB MET A 55 -0.862 9.571 6.878 1.00 0.80 C ATOM 730 CG MET A 55 -0.074 8.532 7.650 1.00 1.07 C ATOM 731 SD MET A 55 -0.503 8.483 9.397 1.00 1.66 S ATOM 732 CE MET A 55 -2.027 7.546 9.349 1.00 1.52 C ATOM 0 H MET A 55 -0.911 9.855 4.404 1.00 0.49 H new ATOM 0 HA MET A 55 -2.035 7.905 6.219 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.177 10.153 6.261 1.00 0.80 H new ATOM 0 HB3 MET A 55 -1.324 10.264 7.581 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.249 7.550 7.210 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.991 8.741 7.548 1.00 1.07 H new ATOM 0 HE1 MET A 55 -2.122 6.958 10.262 1.00 1.52 H new ATOM 0 HE2 MET A 55 -2.872 8.230 9.268 1.00 1.52 H new ATOM 0 HE3 MET A 55 -2.017 6.879 8.487 1.00 1.52 H new ATOM 742 N ASN A 56 -3.663 10.561 5.392 1.00 0.66 N ATOM 743 CA ASN A 56 -4.933 11.259 5.534 1.00 0.84 C ATOM 744 C ASN A 56 -5.846 10.964 4.345 1.00 0.69 C ATOM 745 O ASN A 56 -5.436 10.311 3.383 1.00 0.59 O ATOM 746 CB ASN A 56 -4.727 12.772 5.676 1.00 1.13 C ATOM 747 CG ASN A 56 -3.765 13.342 4.646 1.00 1.94 C ATOM 748 OD1 ASN A 56 -3.925 13.122 3.447 1.00 2.68 O ATOM 749 ND2 ASN A 56 -2.759 14.074 5.103 1.00 2.34 N ATOM 0 H ASN A 56 -3.111 10.846 4.583 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.408 10.894 6.444 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -5.690 13.274 5.582 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.350 12.989 6.676 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -2.085 14.477 4.452 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -2.659 14.235 6.105 1.00 2.34 H new ATOM 756 N ASP A 57 -7.088 11.438 4.416 1.00 0.76 N ATOM 757 CA ASP A 57 -8.060 11.208 3.345 1.00 0.76 C ATOM 758 C ASP A 57 -7.905 12.241 2.228 1.00 0.73 C ATOM 759 O ASP A 57 -8.446 12.079 1.134 1.00 1.11 O ATOM 760 CB ASP A 57 -9.487 11.251 3.899 1.00 0.96 C ATOM 761 CG ASP A 57 -10.007 9.882 4.304 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.429 9.265 5.226 1.00 2.68 O ATOM 763 OD2 ASP A 57 -10.988 9.403 3.688 1.00 1.77 O ATOM 0 H ASP A 57 -7.446 11.982 5.201 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.868 10.219 2.928 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.516 11.915 4.763 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -10.150 11.678 3.147 1.00 0.96 H new ATOM 768 N SER A 58 -7.162 13.300 2.510 1.00 0.67 N ATOM 769 CA SER A 58 -6.922 14.360 1.540 1.00 0.72 C ATOM 770 C SER A 58 -5.973 13.875 0.442 1.00 0.66 C ATOM 771 O SER A 58 -6.228 14.065 -0.748 1.00 0.77 O ATOM 772 CB SER A 58 -6.332 15.573 2.259 1.00 0.87 C ATOM 773 OG SER A 58 -6.305 15.356 3.664 1.00 1.02 O ATOM 0 H SER A 58 -6.710 13.450 3.412 1.00 0.67 H new ATOM 0 HA SER A 58 -7.865 14.641 1.071 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.322 15.763 1.895 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.924 16.460 2.034 1.00 0.87 H new ATOM 0 HG SER A 58 -5.923 16.141 4.109 1.00 1.02 H new ATOM 779 N ALA A 59 -4.886 13.227 0.853 1.00 0.58 N ATOM 780 CA ALA A 59 -3.895 12.681 -0.077 1.00 0.59 C ATOM 781 C ALA A 59 -4.525 11.603 -0.947 1.00 0.51 C ATOM 782 O ALA A 59 -4.055 11.316 -2.048 1.00 0.59 O ATOM 783 CB ALA A 59 -2.697 12.123 0.679 1.00 0.62 C ATOM 0 H ALA A 59 -4.666 13.065 1.836 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.546 13.488 -0.721 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.973 11.723 -0.031 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.232 12.918 1.262 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.027 11.328 1.348 1.00 0.62 H new ATOM 789 N PHE A 60 -5.592 11.010 -0.440 1.00 0.40 N ATOM 790 CA PHE A 60 -6.310 9.957 -1.151 1.00 0.37 C ATOM 791 C PHE A 60 -6.904 10.461 -2.465 1.00 0.42 C ATOM 792 O PHE A 60 -7.103 9.688 -3.401 1.00 0.46 O ATOM 793 CB PHE A 60 -7.416 9.393 -0.266 1.00 0.33 C ATOM 794 CG PHE A 60 -6.979 8.191 0.508 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.959 7.387 0.044 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.601 7.866 1.697 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.570 6.273 0.752 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.219 6.755 2.409 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.140 5.979 1.938 1.00 0.24 C ATOM 0 H PHE A 60 -5.987 11.241 0.472 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.593 9.172 -1.390 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.750 10.165 0.427 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -8.273 9.129 -0.886 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.462 7.634 -0.882 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.397 8.492 2.072 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.801 5.628 0.354 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.737 6.480 3.316 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.771 5.151 2.526 1.00 0.24 H new ATOM 809 N ALA A 61 -7.185 11.757 -2.532 1.00 0.47 N ATOM 810 CA ALA A 61 -7.760 12.356 -3.731 1.00 0.56 C ATOM 811 C ALA A 61 -6.807 12.270 -4.924 1.00 0.58 C ATOM 812 O ALA A 61 -7.240 12.265 -6.075 1.00 0.64 O ATOM 813 CB ALA A 61 -8.132 13.802 -3.454 1.00 0.67 C ATOM 0 H ALA A 61 -7.024 12.414 -1.769 1.00 0.47 H new ATOM 0 HA ALA A 61 -8.656 11.793 -3.991 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -8.561 14.246 -4.352 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.862 13.841 -2.645 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -7.240 14.358 -3.165 1.00 0.67 H new ATOM 819 N THR A 62 -5.505 12.187 -4.651 1.00 0.57 N ATOM 820 CA THR A 62 -4.513 12.094 -5.715 1.00 0.64 C ATOM 821 C THR A 62 -4.362 10.660 -6.236 1.00 0.53 C ATOM 822 O THR A 62 -3.569 10.402 -7.139 1.00 0.57 O ATOM 823 CB THR A 62 -3.153 12.639 -5.284 1.00 0.78 C ATOM 824 OG1 THR A 62 -3.116 12.845 -3.861 1.00 1.03 O ATOM 825 CG2 THR A 62 -2.853 13.948 -5.995 1.00 1.13 C ATOM 0 H THR A 62 -5.117 12.182 -3.708 1.00 0.57 H new ATOM 0 HA THR A 62 -4.886 12.717 -6.528 1.00 0.64 H new ATOM 0 HB THR A 62 -2.396 11.904 -5.556 1.00 0.78 H new ATOM 0 HG1 THR A 62 -3.188 11.981 -3.403 1.00 1.03 H new ATOM 0 HG21 THR A 62 -1.880 14.321 -5.675 1.00 1.13 H new ATOM 0 HG22 THR A 62 -2.842 13.783 -7.072 1.00 1.13 H new ATOM 0 HG23 THR A 62 -3.621 14.681 -5.748 1.00 1.13 H new ATOM 833 N LEU A 63 -5.148 9.738 -5.688 1.00 0.44 N ATOM 834 CA LEU A 63 -5.120 8.349 -6.139 1.00 0.40 C ATOM 835 C LEU A 63 -5.960 8.254 -7.407 1.00 0.48 C ATOM 836 O LEU A 63 -5.666 7.477 -8.313 1.00 0.68 O ATOM 837 CB LEU A 63 -5.667 7.391 -5.071 1.00 0.34 C ATOM 838 CG LEU A 63 -4.862 7.297 -3.771 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.309 6.087 -2.961 1.00 0.28 C ATOM 840 CD2 LEU A 63 -3.367 7.237 -4.048 1.00 0.27 C ATOM 0 H LEU A 63 -5.809 9.925 -4.935 1.00 0.44 H new ATOM 0 HA LEU A 63 -4.088 8.054 -6.331 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.683 7.698 -4.823 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.733 6.394 -5.506 1.00 0.34 H new ATOM 0 HG LEU A 63 -5.053 8.199 -3.189 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.729 6.032 -2.040 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.367 6.182 -2.719 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.151 5.180 -3.544 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.825 7.171 -3.105 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -3.145 6.361 -4.657 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -3.059 8.137 -4.581 1.00 0.27 H new ATOM 852 N GLY A 64 -6.993 9.097 -7.468 1.00 0.63 N ATOM 853 CA GLY A 64 -7.859 9.168 -8.630 1.00 0.76 C ATOM 854 C GLY A 64 -8.905 8.075 -8.720 1.00 0.91 C ATOM 855 O GLY A 64 -10.106 8.353 -8.705 1.00 1.61 O ATOM 0 H GLY A 64 -7.245 9.740 -6.718 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -8.364 10.134 -8.629 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -7.241 9.133 -9.527 1.00 0.76 H new ATOM 859 N THR A 65 -8.463 6.841 -8.870 1.00 1.22 N ATOM 860 CA THR A 65 -9.381 5.723 -9.039 1.00 1.52 C ATOM 861 C THR A 65 -9.936 5.134 -7.742 1.00 1.28 C ATOM 862 O THR A 65 -10.241 3.944 -7.687 1.00 1.56 O ATOM 863 CB THR A 65 -8.734 4.606 -9.861 1.00 2.09 C ATOM 864 OG1 THR A 65 -7.317 4.830 -9.959 1.00 2.14 O ATOM 865 CG2 THR A 65 -9.347 4.544 -11.252 1.00 2.55 C ATOM 0 H THR A 65 -7.476 6.584 -8.879 1.00 1.22 H new ATOM 0 HA THR A 65 -10.233 6.152 -9.567 1.00 1.52 H new ATOM 0 HB THR A 65 -8.914 3.655 -9.360 1.00 2.09 H new ATOM 0 HG1 THR A 65 -6.908 4.111 -10.485 1.00 2.14 H new ATOM 0 HG21 THR A 65 -8.875 3.744 -11.822 1.00 2.55 H new ATOM 0 HG22 THR A 65 -10.416 4.349 -11.170 1.00 2.55 H new ATOM 0 HG23 THR A 65 -9.190 5.495 -11.762 1.00 2.55 H new ATOM 873 N VAL A 66 -10.136 5.955 -6.730 1.00 0.89 N ATOM 874 CA VAL A 66 -10.739 5.463 -5.496 1.00 0.69 C ATOM 875 C VAL A 66 -12.052 6.197 -5.248 1.00 0.68 C ATOM 876 O VAL A 66 -12.081 7.357 -4.834 1.00 0.72 O ATOM 877 CB VAL A 66 -9.810 5.529 -4.243 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.593 4.644 -4.437 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.378 6.949 -3.896 1.00 0.58 C ATOM 0 H VAL A 66 -9.897 6.947 -6.730 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.921 4.398 -5.644 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.397 5.162 -3.401 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -7.956 4.702 -3.554 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.913 3.613 -4.586 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.034 4.980 -5.310 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -8.734 6.929 -3.017 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -8.832 7.379 -4.736 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.259 7.556 -3.687 1.00 0.58 H new ATOM 889 N GLU A 67 -13.147 5.514 -5.548 1.00 0.72 N ATOM 890 CA GLU A 67 -14.480 6.080 -5.393 1.00 0.79 C ATOM 891 C GLU A 67 -14.897 6.065 -3.929 1.00 0.63 C ATOM 892 O GLU A 67 -14.129 5.658 -3.060 1.00 0.49 O ATOM 893 CB GLU A 67 -15.491 5.304 -6.241 1.00 0.94 C ATOM 894 CG GLU A 67 -16.134 6.133 -7.343 1.00 1.19 C ATOM 895 CD GLU A 67 -16.724 7.426 -6.827 1.00 1.70 C ATOM 896 OE1 GLU A 67 -17.510 7.386 -5.858 1.00 2.42 O ATOM 897 OE2 GLU A 67 -16.397 8.490 -7.382 1.00 2.16 O ATOM 0 H GLU A 67 -13.138 4.558 -5.903 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.458 7.114 -5.737 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.991 4.445 -6.690 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.273 4.913 -5.590 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -15.389 6.357 -8.106 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -16.917 5.547 -7.824 1.00 1.19 H new ATOM 904 N ASP A 68 -16.116 6.506 -3.664 1.00 0.71 N ATOM 905 CA ASP A 68 -16.638 6.555 -2.303 1.00 0.67 C ATOM 906 C ASP A 68 -16.548 5.188 -1.622 1.00 0.54 C ATOM 907 O ASP A 68 -16.204 5.093 -0.444 1.00 0.55 O ATOM 908 CB ASP A 68 -18.085 7.029 -2.321 1.00 0.85 C ATOM 909 CG ASP A 68 -18.515 7.619 -0.995 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.964 8.668 -0.602 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.415 7.039 -0.349 1.00 1.61 O ATOM 0 H ASP A 68 -16.767 6.837 -4.376 1.00 0.71 H new ATOM 0 HA ASP A 68 -16.030 7.257 -1.733 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.210 7.775 -3.105 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.736 6.191 -2.571 1.00 0.85 H new ATOM 916 N LYS A 69 -16.845 4.133 -2.377 1.00 0.55 N ATOM 917 CA LYS A 69 -16.798 2.769 -1.847 1.00 0.58 C ATOM 918 C LYS A 69 -15.357 2.317 -1.600 1.00 0.51 C ATOM 919 O LYS A 69 -15.091 1.545 -0.676 1.00 0.60 O ATOM 920 CB LYS A 69 -17.501 1.793 -2.804 1.00 0.71 C ATOM 921 CG LYS A 69 -17.016 1.890 -4.242 1.00 0.82 C ATOM 922 CD LYS A 69 -17.940 2.749 -5.092 1.00 1.15 C ATOM 923 CE LYS A 69 -19.114 1.950 -5.638 1.00 1.53 C ATOM 924 NZ LYS A 69 -20.112 2.822 -6.305 1.00 1.97 N ATOM 0 H LYS A 69 -17.121 4.194 -3.357 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.323 2.768 -0.892 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.349 0.775 -2.447 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.574 1.983 -2.778 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -16.011 2.311 -4.259 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.951 0.891 -4.672 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.313 3.581 -4.495 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.377 3.179 -5.920 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -18.749 1.207 -6.347 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -19.593 1.406 -4.824 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -20.896 2.241 -6.664 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -20.479 3.515 -5.622 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -19.661 3.322 -7.098 1.00 1.97 H new ATOM 938 N TYR A 70 -14.424 2.819 -2.409 1.00 0.43 N ATOM 939 CA TYR A 70 -13.020 2.465 -2.240 1.00 0.39 C ATOM 940 C TYR A 70 -12.446 3.224 -1.051 1.00 0.33 C ATOM 941 O TYR A 70 -11.644 2.692 -0.288 1.00 0.34 O ATOM 942 CB TYR A 70 -12.202 2.789 -3.501 1.00 0.47 C ATOM 943 CG TYR A 70 -12.499 1.885 -4.676 1.00 0.60 C ATOM 944 CD1 TYR A 70 -13.554 2.158 -5.539 1.00 1.18 C ATOM 945 CD2 TYR A 70 -11.723 0.765 -4.926 1.00 1.05 C ATOM 946 CE1 TYR A 70 -13.818 1.340 -6.623 1.00 1.29 C ATOM 947 CE2 TYR A 70 -11.980 -0.057 -6.008 1.00 1.16 C ATOM 948 CZ TYR A 70 -13.063 0.212 -6.828 1.00 0.94 C ATOM 949 OH TYR A 70 -13.282 -0.589 -7.927 1.00 1.11 O ATOM 0 H TYR A 70 -14.614 3.463 -3.177 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.959 1.391 -2.065 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.396 3.821 -3.792 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.141 2.719 -3.261 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -14.177 3.022 -5.361 1.00 1.18 H new ATOM 0 HD2 TYR A 70 -10.903 0.530 -4.264 1.00 1.05 H new ATOM 0 HE1 TYR A 70 -14.616 1.588 -7.307 1.00 1.29 H new ATOM 0 HE2 TYR A 70 -11.340 -0.903 -6.212 1.00 1.16 H new ATOM 0 HH TYR A 70 -12.656 -1.343 -7.912 1.00 1.11 H new ATOM 959 N ARG A 71 -12.883 4.473 -0.902 1.00 0.37 N ATOM 960 CA ARG A 71 -12.441 5.334 0.192 1.00 0.46 C ATOM 961 C ARG A 71 -12.993 4.832 1.524 1.00 0.52 C ATOM 962 O ARG A 71 -12.357 4.969 2.568 1.00 0.59 O ATOM 963 CB ARG A 71 -12.880 6.778 -0.045 1.00 0.60 C ATOM 964 CG ARG A 71 -12.073 7.512 -1.098 1.00 0.81 C ATOM 965 CD ARG A 71 -10.972 8.335 -0.456 1.00 0.97 C ATOM 966 NE ARG A 71 -11.498 9.296 0.515 1.00 1.39 N ATOM 967 CZ ARG A 71 -11.635 10.596 0.282 1.00 1.96 C ATOM 968 NH1 ARG A 71 -11.263 11.121 -0.882 1.00 2.55 N ATOM 969 NH2 ARG A 71 -12.137 11.372 1.232 1.00 2.53 N ATOM 0 H ARG A 71 -13.551 4.915 -1.534 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.352 5.303 0.228 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -13.929 6.782 -0.340 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -12.811 7.325 0.895 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.638 6.795 -1.795 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -12.729 8.162 -1.677 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -10.265 7.670 0.039 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -10.420 8.868 -1.230 1.00 0.97 H new ATOM 0 HE ARG A 71 -11.778 8.944 1.431 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -10.867 10.523 -1.608 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -11.373 12.121 -1.049 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -12.412 10.969 2.128 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -12.248 12.372 1.068 1.00 2.53 H new ATOM 983 N ARG A 72 -14.194 4.277 1.476 1.00 0.57 N ATOM 984 CA ARG A 72 -14.867 3.765 2.661 1.00 0.72 C ATOM 985 C ARG A 72 -14.142 2.575 3.269 1.00 0.68 C ATOM 986 O ARG A 72 -13.704 2.628 4.415 1.00 0.82 O ATOM 987 CB ARG A 72 -16.282 3.353 2.315 1.00 0.87 C ATOM 988 CG ARG A 72 -17.311 4.152 3.071 1.00 1.22 C ATOM 989 CD ARG A 72 -17.957 5.184 2.166 1.00 1.78 C ATOM 990 NE ARG A 72 -18.645 6.229 2.919 1.00 2.63 N ATOM 991 CZ ARG A 72 -18.263 7.504 2.937 1.00 3.47 C ATOM 992 NH1 ARG A 72 -17.198 7.885 2.251 1.00 3.77 N ATOM 993 NH2 ARG A 72 -18.939 8.396 3.656 1.00 4.38 N ATOM 0 H ARG A 72 -14.730 4.169 0.615 1.00 0.57 H new ATOM 0 HA ARG A 72 -14.872 4.570 3.396 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.443 3.478 1.244 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.414 2.294 2.536 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -18.074 3.485 3.473 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -16.842 4.648 3.920 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.194 5.638 1.534 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -18.667 4.689 1.504 1.00 1.78 H new ATOM 0 HE ARG A 72 -19.467 5.966 3.463 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -16.670 7.202 1.708 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -16.905 8.862 2.265 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -19.753 8.104 4.196 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -18.643 9.372 3.667 1.00 4.38 H new ATOM 1007 N ARG A 73 -14.034 1.494 2.504 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.379 0.281 2.980 1.00 0.70 C ATOM 1009 C ARG A 73 -11.881 0.518 3.218 1.00 0.53 C ATOM 1010 O ARG A 73 -11.173 -0.345 3.740 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.627 -0.880 2.004 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.418 -1.274 1.177 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.301 -0.425 -0.074 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.043 -1.236 -1.264 1.00 1.08 N ATOM 1015 CZ ARG A 73 -12.988 -1.594 -2.139 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.244 -1.200 -1.960 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -12.678 -2.349 -3.188 1.00 1.44 N ATOM 0 H ARG A 73 -14.392 1.433 1.551 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.814 0.006 3.941 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.963 -1.749 2.570 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.439 -0.605 1.330 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.514 -1.166 1.777 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.493 -2.325 0.899 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.221 0.143 -0.214 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.496 0.299 0.053 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.087 -1.546 -1.436 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.488 -0.624 -1.154 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -14.964 -1.474 -2.628 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -11.716 -2.658 -3.328 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -13.402 -2.620 -3.853 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.421 1.719 2.874 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.020 2.114 3.079 1.00 0.26 C ATOM 1033 C PHE A 74 -9.652 1.991 4.556 1.00 0.22 C ATOM 1034 O PHE A 74 -8.499 1.745 4.906 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.785 3.539 2.594 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.829 3.626 1.437 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.607 2.970 1.471 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.162 4.353 0.309 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.736 3.040 0.396 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.301 4.420 -0.766 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.036 3.807 -0.679 1.00 0.30 C ATOM 0 H PHE A 74 -11.999 2.444 2.449 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.384 1.446 2.498 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.739 3.977 2.301 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.400 4.137 3.420 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.332 2.399 2.345 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.107 4.874 0.269 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.813 2.480 0.415 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.594 4.938 -1.667 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.309 3.948 -1.465 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.658 2.168 5.407 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.516 2.077 6.858 1.00 0.30 C ATOM 1053 C LYS A 75 -9.855 0.765 7.298 1.00 0.28 C ATOM 1054 O LYS A 75 -9.264 0.698 8.373 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.907 2.180 7.491 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.889 1.129 6.973 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.226 1.206 7.691 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.362 0.749 6.789 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.489 1.707 6.801 1.00 1.72 N ATOM 0 H LYS A 75 -11.608 2.382 5.105 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.871 2.892 7.187 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.814 2.078 8.572 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.313 3.173 7.298 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.042 1.270 5.903 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.462 0.135 7.106 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.197 0.585 8.587 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.407 2.230 8.018 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.993 0.633 5.770 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.713 -0.230 7.114 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -17.244 1.362 6.175 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.857 1.798 7.770 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.159 2.635 6.467 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.969 -0.273 6.473 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.392 -1.573 6.793 1.00 0.22 C ATOM 1075 C TYR A 76 -7.899 -1.625 6.430 1.00 0.20 C ATOM 1076 O TYR A 76 -7.198 -2.576 6.771 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.154 -2.685 6.055 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.578 -2.870 6.519 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.860 -3.420 7.762 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.638 -2.481 5.717 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.164 -3.586 8.187 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.945 -2.640 6.132 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.202 -3.189 7.371 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.501 -3.347 7.795 1.00 0.99 O ATOM 0 H TYR A 76 -10.456 -0.238 5.578 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.483 -1.727 7.868 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -10.157 -2.462 4.988 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.617 -3.625 6.183 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.048 -3.723 8.406 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.438 -2.045 4.749 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.369 -4.024 9.153 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.760 -2.337 5.491 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.113 -3.017 7.104 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.421 -0.589 5.749 1.00 0.18 N ATOM 1095 CA PHE A 77 -6.017 -0.502 5.342 1.00 0.21 C ATOM 1096 C PHE A 77 -5.296 0.595 6.114 1.00 0.24 C ATOM 1097 O PHE A 77 -4.077 0.704 6.050 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.923 -0.168 3.853 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.644 -1.344 2.947 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.761 -2.332 3.347 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.270 -1.477 1.712 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.506 -3.423 2.544 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.012 -2.575 0.904 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.134 -3.475 1.229 1.00 0.24 C ATOM 0 H PHE A 77 -7.988 0.210 5.464 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.552 -1.466 5.549 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.859 0.296 3.541 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.137 0.573 3.712 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.264 -2.247 4.302 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.963 -0.719 1.379 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.858 -4.219 2.880 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.557 -2.684 -0.022 1.00 0.26 H new ATOM 0 HZ PHE A 77 -4.871 -4.256 0.531 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.063 1.435 6.801 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.504 2.566 7.546 1.00 0.34 C ATOM 1116 C LYS A 78 -4.393 2.151 8.515 1.00 0.37 C ATOM 1117 O LYS A 78 -3.431 2.893 8.705 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.608 3.313 8.305 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.828 4.742 7.824 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.227 4.794 6.357 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.384 5.759 6.131 1.00 0.98 C ATOM 1122 NZ LYS A 78 -7.957 7.186 6.181 1.00 1.37 N ATOM 0 H LYS A 78 -7.078 1.356 6.860 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.055 3.230 6.807 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.542 2.759 8.207 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.358 3.331 9.366 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.604 5.212 8.428 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.915 5.319 7.972 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -6.371 5.102 5.756 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -7.511 3.797 6.020 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -8.840 5.554 5.162 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -9.150 5.586 6.887 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -8.630 7.769 5.644 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -7.933 7.507 7.170 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -7.009 7.279 5.764 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.503 0.966 9.112 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.477 0.489 10.033 1.00 0.46 C ATOM 1138 C ALA A 79 -2.230 0.058 9.268 1.00 0.41 C ATOM 1139 O ALA A 79 -1.106 0.198 9.751 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.001 -0.668 10.874 1.00 0.56 C ATOM 0 H ALA A 79 -5.285 0.325 8.976 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.213 1.310 10.700 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.219 -1.007 11.553 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -4.864 -0.337 11.451 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.295 -1.489 10.220 1.00 0.56 H new ATOM 1146 N THR A 80 -2.450 -0.447 8.070 1.00 0.31 N ATOM 1147 CA THR A 80 -1.384 -0.909 7.201 1.00 0.30 C ATOM 1148 C THR A 80 -0.607 0.273 6.621 1.00 0.24 C ATOM 1149 O THR A 80 0.624 0.325 6.704 1.00 0.27 O ATOM 1150 CB THR A 80 -1.995 -1.741 6.062 1.00 0.36 C ATOM 1151 OG1 THR A 80 -3.258 -2.256 6.496 1.00 0.53 O ATOM 1152 CG2 THR A 80 -1.087 -2.889 5.658 1.00 0.46 C ATOM 0 H THR A 80 -3.382 -0.549 7.668 1.00 0.31 H new ATOM 0 HA THR A 80 -0.691 -1.520 7.780 1.00 0.30 H new ATOM 0 HB THR A 80 -2.122 -1.098 5.191 1.00 0.36 H new ATOM 0 HG1 THR A 80 -3.114 -3.046 7.057 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.552 -3.454 4.851 1.00 0.46 H new ATOM 0 HG22 THR A 80 -0.129 -2.494 5.319 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.926 -3.544 6.514 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.347 1.213 6.037 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.769 2.408 5.429 1.00 0.24 C ATOM 1162 C ILE A 81 0.087 3.173 6.437 1.00 0.28 C ATOM 1163 O ILE A 81 1.175 3.646 6.107 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.861 3.361 4.876 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.884 2.603 4.029 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.227 4.472 4.054 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.222 3.310 3.928 1.00 0.55 C ATOM 0 H ILE A 81 -2.364 1.167 5.972 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.148 2.067 4.601 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.382 3.799 5.727 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.480 2.459 3.027 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.036 1.612 4.456 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.006 5.132 3.673 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.542 5.043 4.681 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.678 4.038 3.218 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.901 2.718 3.313 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.646 3.430 4.925 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -4.082 4.291 3.473 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.417 3.290 7.661 1.00 0.31 N ATOM 1180 CA ALA A 82 0.287 4.003 8.722 1.00 0.39 C ATOM 1181 C ALA A 82 1.551 3.264 9.167 1.00 0.41 C ATOM 1182 O ALA A 82 2.574 3.883 9.471 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.642 4.218 9.909 1.00 0.46 C ATOM 0 H ALA A 82 -1.315 2.898 7.944 1.00 0.31 H new ATOM 0 HA ALA A 82 0.597 4.969 8.323 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.109 4.751 10.696 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.505 4.805 9.594 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -0.978 3.253 10.287 1.00 0.46 H new ATOM 1189 N ASP A 83 1.475 1.942 9.217 1.00 0.37 N ATOM 1190 CA ASP A 83 2.612 1.134 9.639 1.00 0.42 C ATOM 1191 C ASP A 83 3.712 1.150 8.591 1.00 0.39 C ATOM 1192 O ASP A 83 4.890 1.200 8.925 1.00 0.46 O ATOM 1193 CB ASP A 83 2.183 -0.308 9.914 1.00 0.47 C ATOM 1194 CG ASP A 83 3.329 -1.152 10.444 1.00 0.80 C ATOM 1195 OD1 ASP A 83 3.713 -0.978 11.619 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.856 -1.996 9.688 1.00 1.40 O ATOM 0 H ASP A 83 0.642 1.407 8.972 1.00 0.37 H new ATOM 0 HA ASP A 83 3.000 1.569 10.560 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.366 -0.312 10.636 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.799 -0.753 8.996 1.00 0.47 H new ATOM 1201 N LEU A 84 3.322 1.093 7.327 1.00 0.32 N ATOM 1202 CA LEU A 84 4.288 1.077 6.234 1.00 0.31 C ATOM 1203 C LEU A 84 5.044 2.404 6.104 1.00 0.35 C ATOM 1204 O LEU A 84 6.221 2.421 5.730 1.00 0.42 O ATOM 1205 CB LEU A 84 3.584 0.735 4.922 1.00 0.29 C ATOM 1206 CG LEU A 84 2.910 -0.640 4.901 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.873 -0.713 3.793 1.00 0.40 C ATOM 1208 CD2 LEU A 84 3.949 -1.733 4.727 1.00 0.48 C ATOM 0 H LEU A 84 2.347 1.057 7.031 1.00 0.32 H new ATOM 0 HA LEU A 84 5.028 0.310 6.462 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.832 1.497 4.719 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.311 0.781 4.112 1.00 0.29 H new ATOM 0 HG LEU A 84 2.403 -0.789 5.854 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.406 -1.698 3.796 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.112 0.050 3.956 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.356 -0.543 2.831 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.456 -2.705 4.714 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.481 -1.583 3.787 1.00 0.48 H new ATOM 0 HD23 LEU A 84 4.657 -1.697 5.555 1.00 0.48 H new ATOM 1220 N SER A 85 4.392 3.510 6.438 1.00 0.37 N ATOM 1221 CA SER A 85 5.035 4.809 6.369 1.00 0.50 C ATOM 1222 C SER A 85 6.051 4.946 7.502 1.00 0.61 C ATOM 1223 O SER A 85 7.057 5.637 7.373 1.00 0.73 O ATOM 1224 CB SER A 85 3.990 5.922 6.444 1.00 0.57 C ATOM 1225 OG SER A 85 2.807 5.477 7.093 1.00 1.37 O ATOM 0 H SER A 85 3.424 3.531 6.757 1.00 0.37 H new ATOM 0 HA SER A 85 5.559 4.897 5.417 1.00 0.50 H new ATOM 0 HB2 SER A 85 4.403 6.776 6.981 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.748 6.265 5.438 1.00 0.57 H new ATOM 0 HG SER A 85 2.218 5.045 6.439 1.00 1.37 H new ATOM 1231 N LYS A 86 5.782 4.258 8.605 1.00 0.60 N ATOM 1232 CA LYS A 86 6.670 4.272 9.761 1.00 0.74 C ATOM 1233 C LYS A 86 7.870 3.352 9.517 1.00 0.78 C ATOM 1234 O LYS A 86 8.963 3.587 10.035 1.00 0.98 O ATOM 1235 CB LYS A 86 5.882 3.852 11.012 1.00 0.75 C ATOM 1236 CG LYS A 86 6.616 2.902 11.956 1.00 1.29 C ATOM 1237 CD LYS A 86 5.788 1.661 12.251 1.00 1.79 C ATOM 1238 CE LYS A 86 4.476 2.010 12.935 1.00 2.34 C ATOM 1239 NZ LYS A 86 3.843 0.818 13.563 1.00 3.07 N ATOM 0 H LYS A 86 4.950 3.680 8.723 1.00 0.60 H new ATOM 0 HA LYS A 86 7.056 5.279 9.919 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.608 4.749 11.567 1.00 0.75 H new ATOM 0 HB3 LYS A 86 4.954 3.377 10.694 1.00 0.75 H new ATOM 0 HG2 LYS A 86 7.567 2.609 11.512 1.00 1.29 H new ATOM 0 HG3 LYS A 86 6.845 3.418 12.888 1.00 1.29 H new ATOM 0 HD2 LYS A 86 5.584 1.130 11.321 1.00 1.79 H new ATOM 0 HD3 LYS A 86 6.360 0.984 12.885 1.00 1.79 H new ATOM 0 HE2 LYS A 86 4.654 2.770 13.696 1.00 2.34 H new ATOM 0 HE3 LYS A 86 3.791 2.443 12.206 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 2.827 0.996 13.699 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 3.970 -0.009 12.945 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 4.289 0.633 14.484 1.00 3.07 H new ATOM 1253 N LYS A 87 7.655 2.309 8.720 1.00 0.75 N ATOM 1254 CA LYS A 87 8.710 1.346 8.403 1.00 0.86 C ATOM 1255 C LYS A 87 9.583 1.844 7.256 1.00 0.93 C ATOM 1256 O LYS A 87 10.681 1.324 7.027 1.00 1.11 O ATOM 1257 CB LYS A 87 8.106 -0.015 8.044 1.00 0.91 C ATOM 1258 CG LYS A 87 7.273 -0.620 9.159 1.00 1.01 C ATOM 1259 CD LYS A 87 7.988 -1.787 9.824 1.00 1.35 C ATOM 1260 CE LYS A 87 7.057 -2.968 10.018 1.00 2.18 C ATOM 1261 NZ LYS A 87 6.043 -2.712 11.073 1.00 2.78 N ATOM 0 H LYS A 87 6.757 2.107 8.280 1.00 0.75 H new ATOM 0 HA LYS A 87 9.335 1.235 9.289 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.484 0.095 7.155 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.910 -0.704 7.787 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.052 0.144 9.904 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.318 -0.959 8.757 1.00 1.01 H new ATOM 0 HD2 LYS A 87 8.839 -2.089 9.214 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.383 -1.471 10.789 1.00 1.35 H new ATOM 0 HE2 LYS A 87 6.553 -3.190 9.077 1.00 2.18 H new ATOM 0 HE3 LYS A 87 7.641 -3.850 10.283 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 6.177 -3.386 11.854 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 6.152 -1.742 11.431 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 5.090 -2.829 10.674 1.00 2.78 H new