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= -0.0795 K(o=0.02,f=-3.9!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -148:sc= 0.0999 (180deg=0) USER MOD Set 2.1: A 41 MET CE :methyl 152:sc= -1 (180deg=-2.96!) USER MOD Set 2.2: A 49 MET CE :methyl 174:sc= -3.05! (180deg=-2.98!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 69:sc= 0.322 USER MOD Single : A 19 TYR OH : rot 14:sc= 1.28 USER MOD Single : A 26 SER OG : rot -150:sc= -1.28 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.43) USER MOD Single : A 44 SER OG : rot 63:sc= 0.133 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.54) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.581) USER MOD Single : A 55 MET CE :methyl -167:sc= -0.299 (180deg=-0.702) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 62 THR OG1 : rot -92:sc= 0.296 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0.55 (180deg=0.516) 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 80 THR OG1 : rot -120:sc= 0.0162 USER MOD Single : A 85 SER OG : rot 180:sc=-0.00309 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 146:sc= 1.16 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.950 -1.070 -0.606 1.00 0.88 N ATOM 50 CA ASN A 14 11.026 -0.902 0.508 1.00 0.81 C ATOM 51 C ASN A 14 9.603 -0.737 0.000 1.00 0.64 C ATOM 52 O ASN A 14 8.667 -1.280 0.592 1.00 0.66 O ATOM 53 CB ASN A 14 11.410 0.287 1.389 1.00 0.96 C ATOM 54 CG ASN A 14 11.197 -0.027 2.851 1.00 1.62 C ATOM 55 OD1 ASN A 14 10.216 0.411 3.451 1.00 2.24 O ATOM 56 ND2 ASN A 14 12.107 -0.798 3.430 1.00 2.24 N ATOM 0 HA ASN A 14 11.085 -1.803 1.119 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.455 0.547 1.218 1.00 0.96 H new ATOM 0 HB3 ASN A 14 10.815 1.157 1.110 1.00 0.96 H new ATOM 0 HD21 ASN A 14 12.010 -1.051 4.413 1.00 2.24 H new ATOM 0 HD22 ASN A 14 12.904 -1.138 2.892 1.00 2.24 H new ATOM 63 N LEU A 15 9.442 -0.011 -1.108 1.00 0.56 N ATOM 64 CA LEU A 15 8.122 0.194 -1.704 1.00 0.48 C ATOM 65 C LEU A 15 7.524 -1.146 -2.118 1.00 0.37 C ATOM 66 O LEU A 15 6.311 -1.345 -2.071 1.00 0.33 O ATOM 67 CB LEU A 15 8.205 1.128 -2.912 1.00 0.58 C ATOM 68 CG LEU A 15 7.053 2.131 -3.030 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.593 3.528 -3.298 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.094 1.711 -4.133 1.00 0.60 C ATOM 0 H LEU A 15 10.206 0.443 -1.608 1.00 0.56 H new ATOM 0 HA LEU A 15 7.478 0.660 -0.958 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.144 1.679 -2.863 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.236 0.524 -3.819 1.00 0.58 H new ATOM 0 HG LEU A 15 6.508 2.146 -2.086 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.763 4.230 -3.379 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.244 3.830 -2.478 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.159 3.527 -4.229 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.281 2.434 -4.204 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.627 1.670 -5.083 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.685 0.727 -3.904 1.00 0.60 H new ATOM 82 N ARG A 16 8.396 -2.077 -2.493 1.00 0.36 N ATOM 83 CA ARG A 16 7.970 -3.412 -2.884 1.00 0.33 C ATOM 84 C ARG A 16 7.359 -4.123 -1.683 1.00 0.27 C ATOM 85 O ARG A 16 6.354 -4.817 -1.807 1.00 0.28 O ATOM 86 CB ARG A 16 9.144 -4.218 -3.425 1.00 0.40 C ATOM 87 CG ARG A 16 8.729 -5.326 -4.373 1.00 0.65 C ATOM 88 CD ARG A 16 9.939 -5.999 -4.982 1.00 1.29 C ATOM 89 NE ARG A 16 10.720 -6.713 -3.970 1.00 2.05 N ATOM 90 CZ ARG A 16 12.052 -6.685 -3.902 1.00 2.78 C ATOM 91 NH1 ARG A 16 12.734 -5.959 -4.777 1.00 3.11 N ATOM 92 NH2 ARG A 16 12.685 -7.345 -2.936 1.00 3.67 N ATOM 0 H ARG A 16 9.404 -1.928 -2.534 1.00 0.36 H new ATOM 0 HA ARG A 16 7.224 -3.324 -3.674 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.829 -3.546 -3.942 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.693 -4.652 -2.589 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.130 -6.062 -3.837 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.100 -4.917 -5.163 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.618 -6.697 -5.755 1.00 1.29 H new ATOM 0 HD3 ARG A 16 10.567 -5.252 -5.468 1.00 1.29 H new ATOM 0 HE ARG A 16 10.216 -7.265 -3.276 1.00 2.05 H new ATOM 0 HH11 ARG A 16 12.240 -5.428 -5.494 1.00 3.11 H new ATOM 0 HH12 ARG A 16 13.753 -5.931 -4.733 1.00 3.11 H new ATOM 0 HH21 ARG A 16 12.152 -7.874 -2.246 1.00 3.67 H new ATOM 0 HH22 ARG A 16 13.704 -7.322 -2.886 1.00 3.67 H new ATOM 106 N MET A 17 7.958 -3.904 -0.513 1.00 0.28 N ATOM 107 CA MET A 17 7.463 -4.494 0.729 1.00 0.32 C ATOM 108 C MET A 17 6.121 -3.866 1.092 1.00 0.25 C ATOM 109 O MET A 17 5.222 -4.527 1.599 1.00 0.27 O ATOM 110 CB MET A 17 8.469 -4.277 1.862 1.00 0.45 C ATOM 111 CG MET A 17 8.442 -5.369 2.919 1.00 0.81 C ATOM 112 SD MET A 17 9.379 -4.934 4.393 1.00 1.96 S ATOM 113 CE MET A 17 8.321 -5.610 5.671 1.00 2.93 C ATOM 0 H MET A 17 8.788 -3.322 -0.400 1.00 0.28 H new ATOM 0 HA MET A 17 7.333 -5.567 0.585 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.472 -4.217 1.439 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.266 -3.318 2.338 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.408 -5.573 3.198 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.845 -6.289 2.495 1.00 0.81 H new ATOM 0 HE1 MET A 17 8.765 -5.421 6.648 1.00 2.93 H new ATOM 0 HE2 MET A 17 7.341 -5.136 5.620 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.213 -6.684 5.523 1.00 2.93 H new ATOM 123 N THR A 18 5.994 -2.575 0.795 1.00 0.21 N ATOM 124 CA THR A 18 4.770 -1.827 1.044 1.00 0.20 C ATOM 125 C THR A 18 3.633 -2.399 0.197 1.00 0.19 C ATOM 126 O THR A 18 2.543 -2.669 0.700 1.00 0.23 O ATOM 127 CB THR A 18 4.975 -0.333 0.710 1.00 0.27 C ATOM 128 OG1 THR A 18 6.129 0.177 1.403 1.00 0.38 O ATOM 129 CG2 THR A 18 3.752 0.491 1.079 1.00 0.30 C ATOM 0 H THR A 18 6.739 -2.020 0.375 1.00 0.21 H new ATOM 0 HA THR A 18 4.512 -1.916 2.099 1.00 0.20 H new ATOM 0 HB THR A 18 5.130 -0.252 -0.366 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.940 -0.225 1.028 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.930 1.537 0.831 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.888 0.128 0.523 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.560 0.399 2.148 1.00 0.30 H new ATOM 137 N TYR A 19 3.918 -2.606 -1.087 1.00 0.21 N ATOM 138 CA TYR A 19 2.941 -3.163 -2.012 1.00 0.28 C ATOM 139 C TYR A 19 2.592 -4.601 -1.635 1.00 0.31 C ATOM 140 O TYR A 19 1.419 -4.990 -1.644 1.00 0.36 O ATOM 141 CB TYR A 19 3.495 -3.109 -3.441 1.00 0.35 C ATOM 142 CG TYR A 19 2.664 -3.869 -4.448 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.549 -3.282 -5.038 1.00 0.32 C ATOM 144 CD2 TYR A 19 2.990 -5.167 -4.812 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.792 -3.962 -5.969 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.235 -5.856 -5.743 1.00 0.59 C ATOM 147 CZ TYR A 19 1.132 -5.285 -6.285 1.00 0.52 C ATOM 148 OH TYR A 19 0.387 -5.926 -7.248 1.00 0.61 O ATOM 0 H TYR A 19 4.822 -2.394 -1.509 1.00 0.21 H new ATOM 0 HA TYR A 19 2.029 -2.568 -1.956 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.565 -2.067 -3.754 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.508 -3.511 -3.443 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.271 -2.276 -4.762 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.846 -5.647 -4.361 1.00 0.52 H new ATOM 0 HE1 TYR A 19 -0.050 -3.483 -6.447 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.525 -6.853 -6.039 1.00 0.59 H new ATOM 0 HH TYR A 19 -0.152 -5.269 -7.736 1.00 0.61 H new ATOM 158 N GLU A 20 3.609 -5.389 -1.308 1.00 0.32 N ATOM 159 CA GLU A 20 3.406 -6.785 -0.934 1.00 0.40 C ATOM 160 C GLU A 20 2.585 -6.897 0.345 1.00 0.35 C ATOM 161 O GLU A 20 1.718 -7.767 0.464 1.00 0.35 O ATOM 162 CB GLU A 20 4.751 -7.490 -0.773 1.00 0.51 C ATOM 163 CG GLU A 20 5.205 -8.201 -2.036 1.00 1.21 C ATOM 164 CD GLU A 20 4.874 -9.679 -2.040 1.00 1.65 C ATOM 165 OE1 GLU A 20 3.715 -10.051 -1.750 1.00 2.35 O ATOM 166 OE2 GLU A 20 5.777 -10.486 -2.335 1.00 1.93 O ATOM 0 H GLU A 20 4.583 -5.086 -1.294 1.00 0.32 H new ATOM 0 HA GLU A 20 2.848 -7.274 -1.733 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.506 -6.759 -0.483 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.680 -8.214 0.039 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.737 -7.728 -2.900 1.00 1.21 H new ATOM 0 HG3 GLU A 20 6.282 -8.076 -2.148 1.00 1.21 H new ATOM 173 N ARG A 21 2.846 -6.001 1.290 1.00 0.33 N ATOM 174 CA ARG A 21 2.115 -5.982 2.548 1.00 0.32 C ATOM 175 C ARG A 21 0.654 -5.640 2.288 1.00 0.26 C ATOM 176 O ARG A 21 -0.240 -6.098 2.990 1.00 0.29 O ATOM 177 CB ARG A 21 2.728 -4.960 3.511 1.00 0.34 C ATOM 178 CG ARG A 21 2.322 -5.168 4.957 1.00 0.48 C ATOM 179 CD ARG A 21 3.515 -5.554 5.826 1.00 0.87 C ATOM 180 NE ARG A 21 4.364 -4.407 6.172 1.00 1.73 N ATOM 181 CZ ARG A 21 3.999 -3.407 6.989 1.00 2.60 C ATOM 182 NH1 ARG A 21 2.804 -3.389 7.552 1.00 2.99 N ATOM 183 NH2 ARG A 21 4.840 -2.414 7.257 1.00 3.57 N ATOM 0 H ARG A 21 3.560 -5.278 1.207 1.00 0.33 H new ATOM 0 HA ARG A 21 2.179 -6.969 3.005 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.814 -5.010 3.437 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.433 -3.958 3.200 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.870 -4.254 5.344 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.563 -5.948 5.014 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.155 -6.022 6.742 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.114 -6.298 5.302 1.00 0.87 H new ATOM 0 HE ARG A 21 5.297 -4.368 5.762 1.00 1.73 H new ATOM 0 HH11 ARG A 21 2.142 -4.143 7.368 1.00 2.99 H new ATOM 0 HH12 ARG A 21 2.543 -2.621 8.170 1.00 2.99 H new ATOM 0 HH21 ARG A 21 5.771 -2.408 6.841 1.00 3.57 H new ATOM 0 HH22 ARG A 21 4.555 -1.658 7.879 1.00 3.57 H new ATOM 197 N LEU A 22 0.431 -4.844 1.253 1.00 0.22 N ATOM 198 CA LEU A 22 -0.909 -4.431 0.856 1.00 0.20 C ATOM 199 C LEU A 22 -1.636 -5.574 0.168 1.00 0.23 C ATOM 200 O LEU A 22 -2.839 -5.741 0.336 1.00 0.24 O ATOM 201 CB LEU A 22 -0.796 -3.249 -0.104 1.00 0.22 C ATOM 202 CG LEU A 22 -0.832 -1.873 0.537 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.128 -0.858 -0.349 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.270 -1.457 0.775 1.00 0.33 C ATOM 0 H LEU A 22 1.173 -4.466 0.664 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.474 -4.144 1.743 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.136 -3.345 -0.661 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.609 -3.314 -0.828 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.311 -1.914 1.494 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.162 0.123 0.124 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.911 -1.157 -0.490 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.627 -0.812 -1.317 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.292 -0.469 1.235 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.802 -1.426 -0.176 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.752 -2.176 1.437 1.00 0.33 H new ATOM 216 N ARG A 23 -0.898 -6.353 -0.609 1.00 0.27 N ATOM 217 CA ARG A 23 -1.481 -7.476 -1.327 1.00 0.32 C ATOM 218 C ARG A 23 -1.785 -8.605 -0.360 1.00 0.31 C ATOM 219 O ARG A 23 -2.829 -9.250 -0.445 1.00 0.34 O ATOM 220 CB ARG A 23 -0.528 -7.954 -2.425 1.00 0.39 C ATOM 221 CG ARG A 23 -1.211 -8.768 -3.509 1.00 0.82 C ATOM 222 CD ARG A 23 -0.257 -9.765 -4.145 1.00 1.40 C ATOM 223 NE ARG A 23 -0.951 -10.960 -4.614 1.00 1.98 N ATOM 224 CZ ARG A 23 -0.567 -12.200 -4.332 1.00 2.61 C ATOM 225 NH1 ARG A 23 0.449 -12.408 -3.499 1.00 3.01 N ATOM 226 NH2 ARG A 23 -1.225 -13.228 -4.844 1.00 3.33 N ATOM 0 H ARG A 23 0.103 -6.228 -0.758 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.412 -7.154 -1.794 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.048 -7.088 -2.880 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.261 -8.555 -1.973 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -2.063 -9.299 -3.084 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.603 -8.099 -4.275 1.00 0.82 H new ATOM 0 HD2 ARG A 23 0.257 -9.292 -4.982 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.507 -10.049 -3.421 1.00 1.40 H new ATOM 0 HE ARG A 23 -1.781 -10.836 -5.193 1.00 1.98 H new ATOM 0 HH11 ARG A 23 0.933 -11.615 -3.077 1.00 3.01 H new ATOM 0 HH12 ARG A 23 0.744 -13.360 -3.282 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -2.026 -13.068 -5.455 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -0.931 -14.180 -4.628 1.00 3.33 H new ATOM 240 N GLU A 24 -0.883 -8.824 0.584 1.00 0.31 N ATOM 241 CA GLU A 24 -1.077 -9.860 1.578 1.00 0.33 C ATOM 242 C GLU A 24 -2.247 -9.495 2.483 1.00 0.28 C ATOM 243 O GLU A 24 -3.014 -10.357 2.900 1.00 0.30 O ATOM 244 CB GLU A 24 0.191 -10.046 2.404 1.00 0.38 C ATOM 245 CG GLU A 24 0.362 -11.455 2.939 1.00 0.61 C ATOM 246 CD GLU A 24 0.277 -12.507 1.851 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.247 -12.647 1.081 1.00 2.24 O ATOM 248 OE2 GLU A 24 -0.756 -13.204 1.768 1.00 2.36 O ATOM 0 H GLU A 24 -0.014 -8.299 0.680 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.300 -10.799 1.071 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.055 -9.791 1.791 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.176 -9.347 3.240 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.326 -11.534 3.441 1.00 0.61 H new ATOM 0 HG3 GLU A 24 -0.405 -11.650 3.689 1.00 0.61 H new ATOM 255 N LEU A 25 -2.387 -8.201 2.745 1.00 0.24 N ATOM 256 CA LEU A 25 -3.468 -7.691 3.575 1.00 0.22 C ATOM 257 C LEU A 25 -4.771 -7.707 2.772 1.00 0.18 C ATOM 258 O LEU A 25 -5.847 -7.930 3.318 1.00 0.20 O ATOM 259 CB LEU A 25 -3.149 -6.258 4.026 1.00 0.22 C ATOM 260 CG LEU A 25 -3.477 -5.909 5.485 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.195 -4.573 5.555 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.312 -6.998 6.144 1.00 0.28 C ATOM 0 H LEU A 25 -1.758 -7.481 2.390 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.577 -8.321 4.458 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.086 -6.078 3.863 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.692 -5.568 3.380 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.538 -5.836 6.033 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.422 -4.336 6.594 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.557 -3.795 5.137 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.122 -4.628 4.984 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.526 -6.718 7.176 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.248 -7.118 5.599 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.761 -7.938 6.130 1.00 0.28 H new ATOM 274 N SER A 26 -4.652 -7.474 1.467 1.00 0.17 N ATOM 275 CA SER A 26 -5.803 -7.457 0.570 1.00 0.16 C ATOM 276 C SER A 26 -6.387 -8.859 0.418 1.00 0.19 C ATOM 277 O SER A 26 -7.601 -9.033 0.386 1.00 0.22 O ATOM 278 CB SER A 26 -5.394 -6.896 -0.803 1.00 0.19 C ATOM 279 OG SER A 26 -5.826 -5.557 -0.970 1.00 0.86 O ATOM 0 H SER A 26 -3.761 -7.293 1.005 1.00 0.17 H new ATOM 0 HA SER A 26 -6.569 -6.812 1.000 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.310 -6.945 -0.908 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.819 -7.517 -1.592 1.00 0.19 H new ATOM 0 HG SER A 26 -5.996 -5.384 -1.919 1.00 0.86 H new ATOM 285 N LEU A 27 -5.523 -9.861 0.347 1.00 0.23 N ATOM 286 CA LEU A 27 -5.970 -11.241 0.210 1.00 0.28 C ATOM 287 C LEU A 27 -6.478 -11.765 1.546 1.00 0.29 C ATOM 288 O LEU A 27 -7.378 -12.600 1.601 1.00 0.34 O ATOM 289 CB LEU A 27 -4.834 -12.115 -0.321 1.00 0.33 C ATOM 290 CG LEU A 27 -4.829 -12.317 -1.840 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.173 -11.132 -2.539 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.107 -13.606 -2.192 1.00 0.60 C ATOM 0 H LEU A 27 -4.510 -9.746 0.382 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.791 -11.277 -0.506 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.884 -11.669 -0.026 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.891 -13.091 0.160 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.861 -12.386 -2.184 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.180 -11.296 -3.617 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -4.725 -10.221 -2.307 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.144 -11.030 -2.194 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.109 -13.740 -3.274 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.079 -13.556 -1.834 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.615 -14.448 -1.721 1.00 0.60 H new ATOM 304 N ASN A 28 -5.902 -11.257 2.622 1.00 0.28 N ATOM 305 CA ASN A 28 -6.296 -11.661 3.964 1.00 0.35 C ATOM 306 C ASN A 28 -7.631 -11.040 4.348 1.00 0.35 C ATOM 307 O ASN A 28 -8.578 -11.746 4.674 1.00 0.42 O ATOM 308 CB ASN A 28 -5.226 -11.248 4.968 1.00 0.41 C ATOM 309 CG ASN A 28 -5.145 -12.189 6.147 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.871 -12.038 7.131 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.260 -13.165 6.049 1.00 1.31 N ATOM 0 H ASN A 28 -5.157 -10.561 2.594 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.404 -12.746 3.976 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.258 -11.213 4.468 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.437 -10.240 5.325 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.155 -13.836 6.810 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.682 -13.247 5.213 1.00 1.31 H new ATOM 318 N LEU A 29 -7.695 -9.711 4.305 1.00 0.33 N ATOM 319 CA LEU A 29 -8.913 -8.985 4.652 1.00 0.38 C ATOM 320 C LEU A 29 -10.053 -9.365 3.724 1.00 0.40 C ATOM 321 O LEU A 29 -11.193 -9.491 4.162 1.00 0.49 O ATOM 322 CB LEU A 29 -8.686 -7.479 4.583 1.00 0.40 C ATOM 323 CG LEU A 29 -7.869 -6.890 5.730 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.465 -5.463 5.395 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.658 -6.934 7.031 1.00 0.39 C ATOM 0 H LEU A 29 -6.914 -9.114 4.032 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.178 -9.259 5.673 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.184 -7.246 3.644 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.656 -6.983 4.557 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.968 -7.489 5.864 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.882 -5.047 6.217 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.864 -5.459 4.486 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.359 -4.858 5.242 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.057 -6.509 7.835 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.576 -6.356 6.920 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.907 -7.968 7.271 1.00 0.39 H new ATOM 337 N GLY A 30 -9.741 -9.556 2.443 1.00 0.35 N ATOM 338 CA GLY A 30 -10.762 -9.931 1.492 1.00 0.43 C ATOM 339 C GLY A 30 -11.346 -11.282 1.825 1.00 0.53 C ATOM 340 O GLY A 30 -12.561 -11.448 1.883 1.00 0.65 O ATOM 0 H GLY A 30 -8.803 -9.457 2.054 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.553 -9.181 1.488 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.338 -9.952 0.488 1.00 0.43 H new ATOM 344 N ASN A 31 -10.471 -12.240 2.090 1.00 0.53 N ATOM 345 CA ASN A 31 -10.886 -13.590 2.460 1.00 0.66 C ATOM 346 C ASN A 31 -11.496 -13.579 3.863 1.00 0.71 C ATOM 347 O ASN A 31 -12.123 -14.547 4.298 1.00 0.84 O ATOM 348 CB ASN A 31 -9.672 -14.523 2.418 1.00 0.70 C ATOM 349 CG ASN A 31 -10.023 -15.993 2.541 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.120 -16.432 2.180 1.00 1.94 O ATOM 351 ND2 ASN A 31 -9.074 -16.769 3.038 1.00 1.52 N ATOM 0 H ASN A 31 -9.460 -12.108 2.056 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.637 -13.947 1.755 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.136 -14.364 1.482 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -8.991 -14.253 3.225 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -9.234 -17.772 3.135 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -8.182 -16.365 3.324 1.00 1.52 H new ATOM 358 N ARG A 32 -11.312 -12.457 4.553 1.00 0.66 N ATOM 359 CA ARG A 32 -11.830 -12.260 5.904 1.00 0.77 C ATOM 360 C ARG A 32 -13.207 -11.604 5.842 1.00 0.86 C ATOM 361 O ARG A 32 -13.864 -11.399 6.864 1.00 1.01 O ATOM 362 CB ARG A 32 -10.864 -11.375 6.702 1.00 0.76 C ATOM 363 CG ARG A 32 -11.037 -11.448 8.209 1.00 0.91 C ATOM 364 CD ARG A 32 -10.734 -10.104 8.867 1.00 1.14 C ATOM 365 NE ARG A 32 -11.789 -9.112 8.619 1.00 2.09 N ATOM 366 CZ ARG A 32 -12.480 -8.492 9.582 1.00 2.75 C ATOM 367 NH1 ARG A 32 -12.167 -8.674 10.862 1.00 2.70 N ATOM 368 NH2 ARG A 32 -13.470 -7.668 9.268 1.00 3.82 N ATOM 0 H ARG A 32 -10.797 -11.655 4.189 1.00 0.66 H new ATOM 0 HA ARG A 32 -11.921 -13.227 6.398 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.842 -11.659 6.453 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.994 -10.340 6.384 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.057 -11.750 8.446 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.376 -12.212 8.617 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -10.617 -10.246 9.941 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -9.785 -9.723 8.491 1.00 1.14 H new ATOM 0 HE ARG A 32 -12.009 -8.881 7.650 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -11.395 -9.290 11.116 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -12.699 -8.197 11.590 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -13.707 -7.505 8.289 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -13.995 -7.197 10.005 1.00 3.82 H new ATOM 382 N MET A 33 -13.638 -11.277 4.631 1.00 0.83 N ATOM 383 CA MET A 33 -14.934 -10.649 4.415 1.00 0.96 C ATOM 384 C MET A 33 -15.933 -11.671 3.896 1.00 1.17 C ATOM 385 O MET A 33 -15.543 -12.759 3.466 1.00 1.55 O ATOM 386 CB MET A 33 -14.822 -9.493 3.419 1.00 0.80 C ATOM 387 CG MET A 33 -15.189 -8.144 4.019 1.00 0.95 C ATOM 388 SD MET A 33 -14.170 -6.789 3.383 1.00 1.18 S ATOM 389 CE MET A 33 -15.424 -5.590 2.913 1.00 1.84 C ATOM 0 H MET A 33 -13.104 -11.438 3.777 1.00 0.83 H new ATOM 0 HA MET A 33 -15.281 -10.255 5.370 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.802 -9.448 3.038 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.472 -9.693 2.567 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.238 -7.932 3.810 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.084 -8.193 5.103 1.00 0.95 H new ATOM 0 HE1 MET A 33 -14.943 -4.702 2.504 1.00 1.84 H new ATOM 0 HE2 MET A 33 -16.080 -6.026 2.160 1.00 1.84 H new ATOM 0 HE3 MET A 33 -16.010 -5.314 3.790 1.00 1.84 H new ATOM 399 N VAL A 34 -17.214 -11.328 3.935 1.00 1.22 N ATOM 400 CA VAL A 34 -18.261 -12.226 3.459 1.00 1.41 C ATOM 401 C VAL A 34 -19.215 -11.482 2.523 1.00 1.54 C ATOM 402 O VAL A 34 -19.950 -10.593 2.957 1.00 1.66 O ATOM 403 CB VAL A 34 -19.079 -12.835 4.621 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.086 -13.837 4.083 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.166 -13.483 5.652 1.00 1.64 C ATOM 0 H VAL A 34 -17.554 -10.435 4.291 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.763 -13.036 2.926 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.621 -12.031 5.119 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.656 -14.260 4.910 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.765 -13.336 3.393 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.560 -14.636 3.559 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.768 -13.903 6.458 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.588 -14.277 5.179 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.487 -12.734 6.059 1.00 1.64 H new ATOM 415 N PRO A 35 -19.213 -11.820 1.224 1.00 1.58 N ATOM 416 CA PRO A 35 -18.345 -12.863 0.667 1.00 1.51 C ATOM 417 C PRO A 35 -16.904 -12.374 0.497 1.00 1.32 C ATOM 418 O PRO A 35 -16.665 -11.165 0.387 1.00 1.30 O ATOM 419 CB PRO A 35 -18.990 -13.171 -0.687 1.00 1.71 C ATOM 420 CG PRO A 35 -19.673 -11.905 -1.088 1.00 1.86 C ATOM 421 CD PRO A 35 -20.076 -11.210 0.189 1.00 1.75 C ATOM 0 HA PRO A 35 -18.269 -13.736 1.315 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -18.241 -13.465 -1.423 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -19.700 -13.994 -0.608 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.007 -11.276 -1.678 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -20.545 -12.115 -1.707 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -19.918 -10.134 0.123 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.132 -11.364 0.410 1.00 1.75 H new ATOM 429 N PRO A 36 -15.919 -13.300 0.488 1.00 1.22 N ATOM 430 CA PRO A 36 -14.507 -12.947 0.356 1.00 1.08 C ATOM 431 C PRO A 36 -14.217 -12.153 -0.908 1.00 1.17 C ATOM 432 O PRO A 36 -14.615 -12.532 -2.013 1.00 1.42 O ATOM 433 CB PRO A 36 -13.774 -14.295 0.328 1.00 1.12 C ATOM 434 CG PRO A 36 -14.826 -15.306 0.047 1.00 1.14 C ATOM 435 CD PRO A 36 -16.100 -14.754 0.621 1.00 1.27 C ATOM 0 HA PRO A 36 -14.186 -12.303 1.174 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -13.001 -14.307 -0.441 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.280 -14.494 1.279 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -14.924 -15.478 -1.025 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -14.577 -16.264 0.502 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -16.975 -15.104 0.073 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -16.236 -15.051 1.661 1.00 1.27 H new ATOM 443 N VAL A 37 -13.528 -11.044 -0.730 1.00 0.99 N ATOM 444 CA VAL A 37 -13.176 -10.180 -1.834 1.00 1.08 C ATOM 445 C VAL A 37 -11.746 -10.459 -2.276 1.00 1.24 C ATOM 446 O VAL A 37 -10.793 -10.067 -1.606 1.00 2.02 O ATOM 447 CB VAL A 37 -13.296 -8.685 -1.459 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.947 -7.884 -2.574 1.00 0.95 C ATOM 449 CG2 VAL A 37 -14.063 -8.493 -0.164 1.00 0.81 C ATOM 0 H VAL A 37 -13.199 -10.719 0.179 1.00 0.99 H new ATOM 0 HA VAL A 37 -13.875 -10.390 -2.644 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.282 -8.314 -1.313 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -14.016 -6.837 -2.278 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.346 -7.966 -3.480 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.947 -8.273 -2.766 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -14.127 -7.430 0.067 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -15.068 -8.902 -0.272 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.546 -9.010 0.645 1.00 0.81 H new ATOM 459 N GLY A 38 -11.608 -11.147 -3.402 1.00 1.18 N ATOM 460 CA GLY A 38 -10.296 -11.484 -3.931 1.00 1.27 C ATOM 461 C GLY A 38 -9.563 -10.264 -4.443 1.00 1.09 C ATOM 462 O GLY A 38 -8.337 -10.224 -4.469 1.00 1.23 O ATOM 0 H GLY A 38 -12.390 -11.482 -3.965 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -9.703 -11.963 -3.152 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -10.405 -12.207 -4.739 1.00 1.27 H new ATOM 466 N ASN A 39 -10.329 -9.266 -4.840 1.00 0.92 N ATOM 467 CA ASN A 39 -9.768 -8.026 -5.347 1.00 0.82 C ATOM 468 C ASN A 39 -10.059 -6.895 -4.366 1.00 0.64 C ATOM 469 O ASN A 39 -10.547 -5.829 -4.742 1.00 0.74 O ATOM 470 CB ASN A 39 -10.300 -7.703 -6.759 1.00 0.99 C ATOM 471 CG ASN A 39 -11.791 -7.386 -6.809 1.00 1.44 C ATOM 472 OD1 ASN A 39 -12.187 -6.221 -6.930 1.00 2.12 O ATOM 473 ND2 ASN A 39 -12.625 -8.416 -6.743 1.00 2.13 N ATOM 0 H ASN A 39 -11.349 -9.290 -4.821 1.00 0.92 H new ATOM 0 HA ASN A 39 -8.688 -8.140 -5.438 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.746 -6.853 -7.158 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.098 -8.551 -7.414 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -13.632 -8.261 -6.792 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -12.259 -9.363 -6.643 1.00 2.13 H new ATOM 480 N PHE A 40 -9.753 -7.159 -3.088 1.00 0.46 N ATOM 481 CA PHE A 40 -9.962 -6.198 -1.992 1.00 0.32 C ATOM 482 C PHE A 40 -9.541 -4.793 -2.419 1.00 0.28 C ATOM 483 O PHE A 40 -10.317 -3.839 -2.320 1.00 0.52 O ATOM 484 CB PHE A 40 -9.153 -6.654 -0.780 1.00 0.24 C ATOM 485 CG PHE A 40 -9.376 -5.864 0.482 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.652 -5.677 0.999 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.295 -5.340 1.165 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.835 -4.971 2.175 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.464 -4.641 2.338 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.738 -4.455 2.849 1.00 0.33 C ATOM 0 H PHE A 40 -9.353 -8.046 -2.783 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.021 -6.163 -1.735 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.389 -7.699 -0.580 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.094 -6.609 -1.034 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.506 -6.085 0.480 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.299 -5.482 0.771 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.830 -4.822 2.567 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.607 -4.239 2.858 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.877 -3.909 3.771 1.00 0.33 H new ATOM 500 N MET A 41 -8.329 -4.690 -2.934 1.00 0.22 N ATOM 501 CA MET A 41 -7.811 -3.439 -3.435 1.00 0.18 C ATOM 502 C MET A 41 -7.114 -3.720 -4.758 1.00 0.20 C ATOM 503 O MET A 41 -6.196 -4.545 -4.808 1.00 0.24 O ATOM 504 CB MET A 41 -6.839 -2.808 -2.443 1.00 0.17 C ATOM 505 CG MET A 41 -6.660 -1.311 -2.643 1.00 0.21 C ATOM 506 SD MET A 41 -8.229 -0.431 -2.783 1.00 0.28 S ATOM 507 CE MET A 41 -8.378 0.254 -1.135 1.00 0.25 C ATOM 0 H MET A 41 -7.680 -5.473 -3.015 1.00 0.22 H new ATOM 0 HA MET A 41 -8.628 -2.732 -3.577 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.195 -2.992 -1.429 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.870 -3.298 -2.534 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.093 -0.903 -1.806 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.070 -1.137 -3.543 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.962 1.173 -1.175 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.877 -0.465 -0.486 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.386 0.471 -0.740 1.00 0.25 H new ATOM 517 N PRO A 42 -7.556 -3.076 -5.847 1.00 0.20 N ATOM 518 CA PRO A 42 -6.987 -3.279 -7.188 1.00 0.24 C ATOM 519 C PRO A 42 -5.487 -3.017 -7.243 1.00 0.21 C ATOM 520 O PRO A 42 -4.980 -2.149 -6.537 1.00 0.20 O ATOM 521 CB PRO A 42 -7.738 -2.265 -8.054 1.00 0.29 C ATOM 522 CG PRO A 42 -9.007 -2.013 -7.323 1.00 0.27 C ATOM 523 CD PRO A 42 -8.671 -2.119 -5.867 1.00 0.23 C ATOM 0 HA PRO A 42 -7.100 -4.312 -7.517 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.163 -1.347 -8.178 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -7.927 -2.660 -9.052 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.405 -1.027 -7.561 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.769 -2.741 -7.602 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.381 -1.155 -5.450 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.519 -2.477 -5.283 1.00 0.23 H new ATOM 531 N ASP A 43 -4.793 -3.779 -8.086 1.00 0.23 N ATOM 532 CA ASP A 43 -3.344 -3.654 -8.243 1.00 0.23 C ATOM 533 C ASP A 43 -2.942 -2.209 -8.520 1.00 0.22 C ATOM 534 O ASP A 43 -1.941 -1.721 -7.995 1.00 0.23 O ATOM 535 CB ASP A 43 -2.861 -4.563 -9.384 1.00 0.29 C ATOM 536 CG ASP A 43 -1.468 -4.213 -9.881 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.479 -4.573 -9.208 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.351 -3.553 -10.935 1.00 1.08 O ATOM 0 H ASP A 43 -5.215 -4.496 -8.676 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.873 -3.963 -7.310 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.868 -5.598 -9.043 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.563 -4.496 -10.215 1.00 0.29 H new ATOM 543 N SER A 44 -3.732 -1.526 -9.333 1.00 0.23 N ATOM 544 CA SER A 44 -3.461 -0.141 -9.676 1.00 0.25 C ATOM 545 C SER A 44 -3.519 0.753 -8.442 1.00 0.23 C ATOM 546 O SER A 44 -2.673 1.632 -8.259 1.00 0.26 O ATOM 547 CB SER A 44 -4.460 0.326 -10.726 1.00 0.32 C ATOM 548 OG SER A 44 -5.532 -0.596 -10.839 1.00 0.57 O ATOM 0 H SER A 44 -4.570 -1.911 -9.769 1.00 0.23 H new ATOM 0 HA SER A 44 -2.452 -0.072 -10.083 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.846 1.309 -10.457 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.961 0.432 -11.689 1.00 0.32 H new ATOM 0 HG SER A 44 -6.019 -0.637 -9.989 1.00 0.57 H new ATOM 554 N ILE A 45 -4.516 0.518 -7.593 1.00 0.21 N ATOM 555 CA ILE A 45 -4.678 1.304 -6.377 1.00 0.21 C ATOM 556 C ILE A 45 -3.621 0.938 -5.346 1.00 0.17 C ATOM 557 O ILE A 45 -3.119 1.806 -4.631 1.00 0.18 O ATOM 558 CB ILE A 45 -6.079 1.115 -5.756 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.179 1.361 -6.805 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.263 2.042 -4.555 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.473 2.828 -7.068 1.00 0.34 C ATOM 0 H ILE A 45 -5.220 -0.208 -7.725 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.561 2.350 -6.661 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.163 0.084 -5.411 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.884 0.888 -7.742 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.096 0.872 -6.475 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.256 1.895 -4.130 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.509 1.815 -3.801 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.155 3.078 -4.875 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.259 2.913 -7.819 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.801 3.305 -6.144 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.571 3.321 -7.430 1.00 0.34 H new ATOM 573 N LEU A 46 -3.278 -0.342 -5.278 1.00 0.16 N ATOM 574 CA LEU A 46 -2.275 -0.803 -4.327 1.00 0.16 C ATOM 575 C LEU A 46 -0.939 -0.143 -4.608 1.00 0.16 C ATOM 576 O LEU A 46 -0.199 0.188 -3.689 1.00 0.19 O ATOM 577 CB LEU A 46 -2.095 -2.321 -4.397 1.00 0.18 C ATOM 578 CG LEU A 46 -3.263 -3.162 -3.882 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.075 -4.620 -4.257 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.412 -3.027 -2.378 1.00 0.19 C ATOM 0 H LEU A 46 -3.676 -1.075 -5.865 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.625 -0.532 -3.331 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.905 -2.596 -5.434 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.204 -2.587 -3.829 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.174 -2.791 -4.352 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -3.916 -5.203 -3.882 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.024 -4.713 -5.342 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.150 -4.993 -3.817 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.250 -3.636 -2.039 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.498 -3.365 -1.890 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.595 -1.983 -2.123 1.00 0.19 H new ATOM 592 N LYS A 47 -0.637 0.026 -5.885 1.00 0.17 N ATOM 593 CA LYS A 47 0.625 0.619 -6.300 1.00 0.19 C ATOM 594 C LYS A 47 0.724 2.103 -5.959 1.00 0.18 C ATOM 595 O LYS A 47 1.738 2.543 -5.415 1.00 0.20 O ATOM 596 CB LYS A 47 0.828 0.412 -7.798 1.00 0.24 C ATOM 597 CG LYS A 47 1.313 -0.986 -8.130 1.00 0.31 C ATOM 598 CD LYS A 47 1.102 -1.320 -9.592 1.00 0.44 C ATOM 599 CE LYS A 47 2.132 -2.324 -10.072 1.00 0.88 C ATOM 600 NZ LYS A 47 1.502 -3.514 -10.705 1.00 0.97 N ATOM 0 H LYS A 47 -1.251 -0.240 -6.655 1.00 0.17 H new ATOM 0 HA LYS A 47 1.414 0.113 -5.743 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.111 0.600 -8.318 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.549 1.141 -8.168 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.372 -1.071 -7.887 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.784 -1.711 -7.511 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.100 -1.724 -9.736 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.168 -0.411 -10.190 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.799 -1.844 -10.788 1.00 0.88 H new ATOM 0 HE3 LYS A 47 2.745 -2.644 -9.230 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 2.227 -4.063 -11.210 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 1.067 -4.108 -9.971 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.772 -3.204 -11.377 1.00 0.97 H new ATOM 614 N LYS A 48 -0.312 2.879 -6.276 1.00 0.17 N ATOM 615 CA LYS A 48 -0.284 4.319 -5.993 1.00 0.18 C ATOM 616 C LYS A 48 -0.319 4.578 -4.492 1.00 0.18 C ATOM 617 O LYS A 48 0.389 5.443 -3.979 1.00 0.20 O ATOM 618 CB LYS A 48 -1.451 5.051 -6.666 1.00 0.20 C ATOM 619 CG LYS A 48 -2.724 4.229 -6.776 1.00 0.31 C ATOM 620 CD LYS A 48 -3.847 5.009 -7.441 1.00 0.32 C ATOM 621 CE LYS A 48 -3.715 5.030 -8.956 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.748 5.898 -9.589 1.00 0.77 N ATOM 0 H LYS A 48 -1.167 2.546 -6.721 1.00 0.17 H new ATOM 0 HA LYS A 48 0.649 4.706 -6.403 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.667 5.960 -6.105 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.144 5.359 -7.665 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.523 3.323 -7.348 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.040 3.914 -5.781 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.805 4.567 -7.168 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.849 6.032 -7.064 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.722 5.388 -9.230 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -3.806 4.015 -9.343 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.339 6.379 -10.415 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.554 5.314 -9.892 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.074 6.608 -8.902 1.00 0.77 H new ATOM 636 N MET A 49 -1.145 3.817 -3.795 1.00 0.17 N ATOM 637 CA MET A 49 -1.279 3.956 -2.357 1.00 0.17 C ATOM 638 C MET A 49 0.023 3.561 -1.654 1.00 0.17 C ATOM 639 O MET A 49 0.351 4.099 -0.602 1.00 0.19 O ATOM 640 CB MET A 49 -2.487 3.140 -1.863 1.00 0.17 C ATOM 641 CG MET A 49 -2.148 1.945 -0.984 1.00 0.19 C ATOM 642 SD MET A 49 -3.318 1.726 0.368 1.00 1.07 S ATOM 643 CE MET A 49 -4.624 0.834 -0.468 1.00 0.22 C ATOM 0 H MET A 49 -1.735 3.093 -4.205 1.00 0.17 H new ATOM 0 HA MET A 49 -1.465 5.001 -2.107 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.150 3.803 -1.307 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.045 2.786 -2.730 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.131 1.042 -1.595 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.146 2.072 -0.575 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.378 0.529 0.257 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.082 1.478 -1.218 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.209 -0.049 -0.953 1.00 0.22 H new ATOM 653 N ALA A 50 0.774 2.640 -2.252 1.00 0.16 N ATOM 654 CA ALA A 50 2.045 2.205 -1.682 1.00 0.17 C ATOM 655 C ALA A 50 3.152 3.212 -1.966 1.00 0.18 C ATOM 656 O ALA A 50 4.106 3.335 -1.202 1.00 0.22 O ATOM 657 CB ALA A 50 2.428 0.837 -2.230 1.00 0.19 C ATOM 0 H ALA A 50 0.525 2.182 -3.129 1.00 0.16 H new ATOM 0 HA ALA A 50 1.921 2.135 -0.601 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.378 0.524 -1.797 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.656 0.112 -1.972 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.525 0.893 -3.314 1.00 0.19 H new ATOM 663 N ALA A 51 3.028 3.917 -3.078 1.00 0.18 N ATOM 664 CA ALA A 51 4.029 4.894 -3.464 1.00 0.22 C ATOM 665 C ALA A 51 3.860 6.212 -2.724 1.00 0.24 C ATOM 666 O ALA A 51 4.834 6.785 -2.231 1.00 0.30 O ATOM 667 CB ALA A 51 3.985 5.128 -4.964 1.00 0.25 C ATOM 0 H ALA A 51 2.246 3.831 -3.727 1.00 0.18 H new ATOM 0 HA ALA A 51 5.002 4.487 -3.188 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.741 5.863 -5.240 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.183 4.191 -5.484 1.00 0.25 H new ATOM 0 HB3 ALA A 51 2.999 5.498 -5.246 1.00 0.25 H new ATOM 673 N ILE A 52 2.623 6.692 -2.649 1.00 0.24 N ATOM 674 CA ILE A 52 2.328 7.950 -1.972 1.00 0.28 C ATOM 675 C ILE A 52 2.216 7.740 -0.463 1.00 0.26 C ATOM 676 O ILE A 52 2.637 8.588 0.329 1.00 0.31 O ATOM 677 CB ILE A 52 1.007 8.557 -2.511 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.262 9.299 -3.828 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.362 9.489 -1.487 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.070 8.438 -5.061 1.00 0.37 C ATOM 0 H ILE A 52 1.808 6.228 -3.049 1.00 0.24 H new ATOM 0 HA ILE A 52 3.148 8.640 -2.172 1.00 0.28 H new ATOM 0 HB ILE A 52 0.312 7.738 -2.696 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.592 10.157 -3.887 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.280 9.689 -3.823 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.562 9.897 -1.897 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.140 8.932 -0.577 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.047 10.304 -1.255 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.268 9.031 -5.954 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.759 7.594 -5.026 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.045 8.069 -5.091 1.00 0.37 H new ATOM 692 N LEU A 53 1.657 6.595 -0.091 1.00 0.21 N ATOM 693 CA LEU A 53 1.465 6.220 1.309 1.00 0.21 C ATOM 694 C LEU A 53 0.686 7.287 2.086 1.00 0.23 C ATOM 695 O LEU A 53 1.233 7.940 2.977 1.00 0.27 O ATOM 696 CB LEU A 53 2.816 5.950 1.982 1.00 0.24 C ATOM 697 CG LEU A 53 3.326 4.516 1.836 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.615 4.325 2.616 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.263 3.531 2.295 1.00 0.35 C ATOM 0 H LEU A 53 1.322 5.895 -0.753 1.00 0.21 H new ATOM 0 HA LEU A 53 0.872 5.306 1.323 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.558 6.630 1.563 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.732 6.185 3.043 1.00 0.24 H new ATOM 0 HG LEU A 53 3.539 4.326 0.784 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.962 3.298 2.500 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.374 5.010 2.238 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.435 4.530 3.671 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.638 2.514 2.186 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.021 3.718 3.341 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.366 3.654 1.687 1.00 0.35 H new ATOM 711 N PRO A 54 -0.617 7.465 1.779 1.00 0.24 N ATOM 712 CA PRO A 54 -1.467 8.436 2.463 1.00 0.30 C ATOM 713 C PRO A 54 -1.968 7.887 3.799 1.00 0.40 C ATOM 714 O PRO A 54 -2.828 7.009 3.835 1.00 0.48 O ATOM 715 CB PRO A 54 -2.639 8.660 1.490 1.00 0.36 C ATOM 716 CG PRO A 54 -2.436 7.704 0.348 1.00 0.25 C ATOM 717 CD PRO A 54 -1.374 6.728 0.761 1.00 0.23 C ATOM 0 HA PRO A 54 -0.935 9.357 2.700 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.593 8.477 1.984 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.656 9.690 1.135 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.365 7.184 0.114 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.135 8.240 -0.552 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.805 5.812 1.165 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.743 6.440 -0.080 1.00 0.23 H new ATOM 725 N MET A 55 -1.393 8.387 4.886 1.00 0.49 N ATOM 726 CA MET A 55 -1.740 7.928 6.230 1.00 0.64 C ATOM 727 C MET A 55 -3.143 8.354 6.677 1.00 0.72 C ATOM 728 O MET A 55 -3.668 7.822 7.656 1.00 1.02 O ATOM 729 CB MET A 55 -0.677 8.405 7.225 1.00 0.80 C ATOM 730 CG MET A 55 -1.068 9.649 7.995 1.00 1.07 C ATOM 731 SD MET A 55 0.292 10.334 8.976 1.00 1.66 S ATOM 732 CE MET A 55 1.232 8.857 9.382 1.00 1.52 C ATOM 0 H MET A 55 -0.679 9.115 4.865 1.00 0.49 H new ATOM 0 HA MET A 55 -1.759 6.838 6.204 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.470 7.602 7.933 1.00 0.80 H new ATOM 0 HB3 MET A 55 0.250 8.601 6.685 1.00 0.80 H new ATOM 0 HG2 MET A 55 -1.421 10.406 7.295 1.00 1.07 H new ATOM 0 HG3 MET A 55 -1.902 9.413 8.656 1.00 1.07 H new ATOM 0 HE1 MET A 55 1.956 9.090 10.163 1.00 1.52 H new ATOM 0 HE2 MET A 55 0.554 8.080 9.735 1.00 1.52 H new ATOM 0 HE3 MET A 55 1.757 8.505 8.494 1.00 1.52 H new ATOM 742 N ASN A 56 -3.758 9.301 5.973 1.00 0.66 N ATOM 743 CA ASN A 56 -5.099 9.765 6.331 1.00 0.84 C ATOM 744 C ASN A 56 -5.808 10.350 5.123 1.00 0.69 C ATOM 745 O ASN A 56 -5.295 10.280 4.004 1.00 0.59 O ATOM 746 CB ASN A 56 -5.022 10.817 7.436 1.00 1.13 C ATOM 747 CG ASN A 56 -6.199 10.755 8.393 1.00 1.94 C ATOM 748 OD1 ASN A 56 -7.206 10.093 8.124 1.00 2.68 O ATOM 749 ND2 ASN A 56 -6.075 11.450 9.518 1.00 2.34 N ATOM 0 H ASN A 56 -3.354 9.760 5.157 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.666 8.906 6.691 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -4.097 10.681 7.996 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.979 11.808 6.985 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -6.831 11.451 10.203 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -5.224 11.983 9.697 1.00 2.34 H new ATOM 756 N ASP A 57 -6.978 10.941 5.355 1.00 0.76 N ATOM 757 CA ASP A 57 -7.748 11.556 4.289 1.00 0.76 C ATOM 758 C ASP A 57 -7.015 12.783 3.779 1.00 0.73 C ATOM 759 O ASP A 57 -5.899 13.070 4.223 1.00 1.11 O ATOM 760 CB ASP A 57 -9.149 11.946 4.775 1.00 0.96 C ATOM 761 CG ASP A 57 -10.217 11.647 3.741 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.085 12.112 2.591 1.00 1.77 O ATOM 763 OD2 ASP A 57 -11.196 10.938 4.077 1.00 2.68 O ATOM 0 H ASP A 57 -7.410 11.004 6.277 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.861 10.833 3.481 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.376 11.408 5.695 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.166 13.009 5.015 1.00 0.96 H new ATOM 768 N SER A 58 -7.639 13.497 2.847 1.00 0.67 N ATOM 769 CA SER A 58 -7.058 14.701 2.250 1.00 0.72 C ATOM 770 C SER A 58 -5.876 14.347 1.338 1.00 0.66 C ATOM 771 O SER A 58 -5.825 14.778 0.189 1.00 0.77 O ATOM 772 CB SER A 58 -6.651 15.699 3.337 1.00 0.87 C ATOM 773 OG SER A 58 -7.598 15.696 4.402 1.00 1.02 O ATOM 0 H SER A 58 -8.562 13.260 2.483 1.00 0.67 H new ATOM 0 HA SER A 58 -7.817 15.177 1.629 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.663 15.444 3.721 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.578 16.700 2.911 1.00 0.87 H new ATOM 0 HG SER A 58 -7.321 16.338 5.088 1.00 1.02 H new ATOM 779 N ALA A 59 -4.950 13.534 1.837 1.00 0.58 N ATOM 780 CA ALA A 59 -3.806 13.097 1.050 1.00 0.59 C ATOM 781 C ALA A 59 -4.261 12.064 0.030 1.00 0.51 C ATOM 782 O ALA A 59 -3.688 11.942 -1.047 1.00 0.59 O ATOM 783 CB ALA A 59 -2.722 12.518 1.949 1.00 0.62 C ATOM 0 H ALA A 59 -4.972 13.164 2.787 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.384 13.956 0.529 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.877 12.198 1.340 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.392 13.278 2.657 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.120 11.663 2.495 1.00 0.62 H new ATOM 789 N PHE A 60 -5.309 11.329 0.399 1.00 0.40 N ATOM 790 CA PHE A 60 -5.903 10.282 -0.435 1.00 0.37 C ATOM 791 C PHE A 60 -6.257 10.792 -1.832 1.00 0.42 C ATOM 792 O PHE A 60 -6.312 10.023 -2.794 1.00 0.46 O ATOM 793 CB PHE A 60 -7.146 9.720 0.261 1.00 0.33 C ATOM 794 CG PHE A 60 -6.926 8.372 0.872 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.915 7.562 0.404 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.735 7.914 1.898 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.695 6.320 0.948 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.524 6.665 2.450 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.501 5.866 1.970 1.00 0.24 C ATOM 0 H PHE A 60 -5.777 11.445 1.298 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.163 9.491 -0.563 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.464 10.415 1.038 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.960 9.655 -0.461 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.286 7.909 -0.403 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.536 8.537 2.269 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.892 5.701 0.576 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -8.155 6.314 3.253 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.334 4.888 2.396 1.00 0.24 H new ATOM 809 N ALA A 61 -6.501 12.087 -1.939 1.00 0.47 N ATOM 810 CA ALA A 61 -6.847 12.704 -3.211 1.00 0.56 C ATOM 811 C ALA A 61 -5.732 12.545 -4.246 1.00 0.58 C ATOM 812 O ALA A 61 -5.976 12.612 -5.446 1.00 0.64 O ATOM 813 CB ALA A 61 -7.143 14.174 -2.995 1.00 0.67 C ATOM 0 H ALA A 61 -6.466 12.737 -1.154 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.730 12.197 -3.600 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.402 14.637 -3.947 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.977 14.279 -2.301 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.263 14.665 -2.581 1.00 0.67 H new ATOM 819 N THR A 62 -4.506 12.339 -3.779 1.00 0.57 N ATOM 820 CA THR A 62 -3.366 12.183 -4.676 1.00 0.64 C ATOM 821 C THR A 62 -3.388 10.836 -5.393 1.00 0.53 C ATOM 822 O THR A 62 -2.644 10.623 -6.353 1.00 0.57 O ATOM 823 CB THR A 62 -2.038 12.325 -3.923 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.964 11.356 -2.871 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.887 13.724 -3.350 1.00 1.13 C ATOM 0 H THR A 62 -4.276 12.276 -2.787 1.00 0.57 H new ATOM 0 HA THR A 62 -3.448 12.978 -5.417 1.00 0.64 H new ATOM 0 HB THR A 62 -1.225 12.153 -4.628 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.317 11.744 -2.043 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.937 13.800 -2.821 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.910 14.453 -4.160 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.705 13.924 -2.658 1.00 1.13 H new ATOM 833 N LEU A 63 -4.255 9.934 -4.937 1.00 0.44 N ATOM 834 CA LEU A 63 -4.381 8.615 -5.544 1.00 0.40 C ATOM 835 C LEU A 63 -5.142 8.716 -6.866 1.00 0.48 C ATOM 836 O LEU A 63 -5.231 7.750 -7.619 1.00 0.68 O ATOM 837 CB LEU A 63 -5.110 7.647 -4.596 1.00 0.34 C ATOM 838 CG LEU A 63 -4.334 7.224 -3.345 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.018 6.036 -2.683 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.890 6.888 -3.692 1.00 0.27 C ATOM 0 H LEU A 63 -4.881 10.095 -4.148 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.380 8.228 -5.734 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.044 8.112 -4.281 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.374 6.750 -5.157 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.325 8.058 -2.643 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.459 5.743 -1.795 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.033 6.313 -2.398 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.053 5.200 -3.382 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.358 6.590 -2.788 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.870 6.069 -4.411 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.407 7.764 -4.125 1.00 0.27 H new ATOM 852 N GLY A 64 -5.694 9.892 -7.135 1.00 0.63 N ATOM 853 CA GLY A 64 -6.442 10.091 -8.357 1.00 0.76 C ATOM 854 C GLY A 64 -7.911 10.305 -8.076 1.00 0.91 C ATOM 855 O GLY A 64 -8.304 11.330 -7.515 1.00 1.61 O ATOM 0 H GLY A 64 -5.636 10.710 -6.528 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.043 10.952 -8.893 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.317 9.225 -9.007 1.00 0.76 H new ATOM 859 N THR A 65 -8.728 9.336 -8.447 1.00 1.22 N ATOM 860 CA THR A 65 -10.157 9.430 -8.222 1.00 1.52 C ATOM 861 C THR A 65 -10.707 8.142 -7.617 1.00 1.28 C ATOM 862 O THR A 65 -11.426 7.385 -8.282 1.00 1.56 O ATOM 863 CB THR A 65 -10.908 9.758 -9.531 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.122 9.360 -10.664 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.208 11.249 -9.618 1.00 2.55 C ATOM 0 H THR A 65 -8.426 8.476 -8.905 1.00 1.22 H new ATOM 0 HA THR A 65 -10.319 10.243 -7.514 1.00 1.52 H new ATOM 0 HB THR A 65 -11.849 9.208 -9.532 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.607 9.570 -11.489 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.737 11.460 -10.547 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.828 11.545 -8.772 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.274 11.810 -9.597 1.00 2.55 H new ATOM 873 N VAL A 66 -10.381 7.884 -6.354 1.00 0.89 N ATOM 874 CA VAL A 66 -10.883 6.687 -5.701 1.00 0.69 C ATOM 875 C VAL A 66 -12.367 6.847 -5.401 1.00 0.68 C ATOM 876 O VAL A 66 -12.798 7.854 -4.829 1.00 0.72 O ATOM 877 CB VAL A 66 -10.125 6.329 -4.395 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.671 5.991 -4.681 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.210 7.448 -3.372 1.00 0.58 C ATOM 0 H VAL A 66 -9.784 8.475 -5.775 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.717 5.864 -6.396 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.612 5.449 -3.975 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.164 5.744 -3.748 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.622 5.137 -5.357 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.182 6.849 -5.143 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.667 7.160 -2.472 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.769 8.354 -3.787 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.255 7.634 -3.122 1.00 0.58 H new ATOM 889 N GLU A 67 -13.149 5.859 -5.803 1.00 0.72 N ATOM 890 CA GLU A 67 -14.582 5.888 -5.585 1.00 0.79 C ATOM 891 C GLU A 67 -14.890 5.820 -4.097 1.00 0.63 C ATOM 892 O GLU A 67 -14.057 5.382 -3.299 1.00 0.49 O ATOM 893 CB GLU A 67 -15.241 4.710 -6.296 1.00 0.94 C ATOM 894 CG GLU A 67 -16.488 5.075 -7.074 1.00 1.19 C ATOM 895 CD GLU A 67 -17.759 4.584 -6.416 1.00 1.70 C ATOM 896 OE1 GLU A 67 -17.798 4.494 -5.173 1.00 2.42 O ATOM 897 OE2 GLU A 67 -18.726 4.273 -7.141 1.00 2.16 O ATOM 0 H GLU A 67 -12.812 5.025 -6.284 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.976 6.821 -5.988 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.519 4.261 -6.978 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -15.496 3.950 -5.557 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.537 6.158 -7.184 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -16.419 4.656 -8.078 1.00 1.19 H new ATOM 904 N ASP A 68 -16.098 6.232 -3.740 1.00 0.71 N ATOM 905 CA ASP A 68 -16.552 6.206 -2.357 1.00 0.67 C ATOM 906 C ASP A 68 -16.521 4.776 -1.840 1.00 0.54 C ATOM 907 O ASP A 68 -16.211 4.530 -0.674 1.00 0.55 O ATOM 908 CB ASP A 68 -17.963 6.780 -2.234 1.00 0.85 C ATOM 909 CG ASP A 68 -18.383 6.955 -0.790 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.825 7.841 -0.108 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.269 6.203 -0.331 1.00 1.61 O ATOM 0 H ASP A 68 -16.789 6.592 -4.398 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.883 6.824 -1.758 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.008 7.743 -2.743 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.668 6.119 -2.739 1.00 0.85 H new ATOM 916 N LYS A 69 -16.812 3.837 -2.735 1.00 0.55 N ATOM 917 CA LYS A 69 -16.793 2.420 -2.403 1.00 0.58 C ATOM 918 C LYS A 69 -15.374 1.994 -2.023 1.00 0.51 C ATOM 919 O LYS A 69 -15.181 1.099 -1.207 1.00 0.60 O ATOM 920 CB LYS A 69 -17.327 1.586 -3.582 1.00 0.71 C ATOM 921 CG LYS A 69 -16.250 0.961 -4.460 1.00 0.82 C ATOM 922 CD LYS A 69 -16.511 1.208 -5.942 1.00 1.15 C ATOM 923 CE LYS A 69 -17.798 0.547 -6.421 1.00 1.53 C ATOM 924 NZ LYS A 69 -18.523 1.397 -7.409 1.00 1.97 N ATOM 0 H LYS A 69 -17.065 4.036 -3.703 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.445 2.244 -1.547 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.962 0.792 -3.189 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -17.958 2.222 -4.202 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.277 1.372 -4.189 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.206 -0.112 -4.273 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -16.567 2.281 -6.125 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -15.672 0.828 -6.525 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -17.565 -0.417 -6.873 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -18.445 0.350 -5.566 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -19.448 0.971 -7.621 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -18.663 2.348 -7.012 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -17.965 1.466 -8.284 1.00 1.97 H new ATOM 938 N TYR A 70 -14.378 2.675 -2.586 1.00 0.43 N ATOM 939 CA TYR A 70 -12.986 2.381 -2.273 1.00 0.39 C ATOM 940 C TYR A 70 -12.625 3.001 -0.939 1.00 0.33 C ATOM 941 O TYR A 70 -11.903 2.404 -0.155 1.00 0.34 O ATOM 942 CB TYR A 70 -12.064 2.908 -3.372 1.00 0.47 C ATOM 943 CG TYR A 70 -12.100 2.075 -4.627 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.252 0.994 -4.791 1.00 1.05 C ATOM 945 CD2 TYR A 70 -12.992 2.370 -5.652 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.293 0.227 -5.938 1.00 1.16 C ATOM 947 CE2 TYR A 70 -13.041 1.607 -6.801 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.187 0.539 -6.941 1.00 0.94 C ATOM 949 OH TYR A 70 -12.232 -0.228 -8.084 1.00 1.11 O ATOM 0 H TYR A 70 -14.511 3.431 -3.258 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.857 1.300 -2.213 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.348 3.932 -3.615 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.042 2.941 -2.995 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.548 0.747 -4.010 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -13.659 3.213 -5.547 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -10.627 -0.615 -6.050 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.745 1.847 -7.584 1.00 1.29 H new ATOM 0 HH TYR A 70 -12.917 0.126 -8.689 1.00 1.11 H new ATOM 959 N ARG A 71 -13.176 4.186 -0.679 1.00 0.37 N ATOM 960 CA ARG A 71 -12.952 4.899 0.584 1.00 0.46 C ATOM 961 C ARG A 71 -13.506 4.077 1.745 1.00 0.52 C ATOM 962 O ARG A 71 -12.952 4.068 2.841 1.00 0.59 O ATOM 963 CB ARG A 71 -13.630 6.274 0.544 1.00 0.60 C ATOM 964 CG ARG A 71 -12.672 7.450 0.599 1.00 0.81 C ATOM 965 CD ARG A 71 -12.695 8.202 -0.708 1.00 0.97 C ATOM 966 NE ARG A 71 -12.067 9.513 -0.620 1.00 1.39 N ATOM 967 CZ ARG A 71 -12.027 10.378 -1.631 1.00 1.96 C ATOM 968 NH1 ARG A 71 -12.587 10.058 -2.794 1.00 2.55 N ATOM 969 NH2 ARG A 71 -11.414 11.548 -1.490 1.00 2.53 N ATOM 0 H ARG A 71 -13.787 4.678 -1.331 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.881 5.042 0.725 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.222 6.347 -0.368 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -14.324 6.347 1.381 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.950 8.117 1.415 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -11.662 7.096 0.806 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.186 7.612 -1.470 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -13.728 8.321 -1.034 1.00 0.97 H new ATOM 0 HE ARG A 71 -11.635 9.783 0.264 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -13.044 9.153 -2.908 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -12.559 10.717 -3.572 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -10.971 11.788 -0.603 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -11.387 12.207 -2.268 1.00 2.53 H new ATOM 983 N ARG A 72 -14.609 3.391 1.477 1.00 0.57 N ATOM 984 CA ARG A 72 -15.282 2.552 2.462 1.00 0.72 C ATOM 985 C ARG A 72 -14.355 1.486 3.034 1.00 0.68 C ATOM 986 O ARG A 72 -14.014 1.519 4.211 1.00 0.82 O ATOM 987 CB ARG A 72 -16.487 1.883 1.813 1.00 0.87 C ATOM 988 CG ARG A 72 -17.805 2.458 2.260 1.00 1.22 C ATOM 989 CD ARG A 72 -18.517 3.155 1.110 1.00 1.78 C ATOM 990 NE ARG A 72 -19.432 2.260 0.396 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.027 2.552 -0.765 1.00 3.47 C ATOM 992 NH1 ARG A 72 -19.908 3.766 -1.302 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.781 1.636 -1.365 1.00 4.38 N ATOM 0 H ARG A 72 -15.065 3.400 0.565 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.598 3.191 3.286 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.406 1.978 0.730 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.468 0.817 2.041 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -18.437 1.663 2.654 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.640 3.166 3.072 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -19.075 4.009 1.495 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -17.777 3.546 0.412 1.00 1.78 H new ATOM 0 HE ARG A 72 -19.629 1.351 0.814 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -19.359 4.482 -0.827 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -20.366 3.979 -2.188 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -20.903 0.717 -0.939 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.238 1.852 -2.251 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.952 0.540 2.197 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.066 -0.531 2.637 1.00 0.70 C ATOM 1009 C ARG A 73 -11.639 -0.012 2.812 1.00 0.53 C ATOM 1010 O ARG A 73 -10.750 -0.730 3.268 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.132 -1.713 1.659 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.993 -1.783 0.650 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.240 -0.864 -0.535 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.540 -1.108 -1.174 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.729 -1.883 -2.249 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -12.701 -2.498 -2.823 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -14.946 -2.049 -2.739 1.00 1.44 N ATOM 0 H ARG A 73 -14.222 0.491 1.215 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.400 -0.890 3.610 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.145 -2.639 2.234 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.075 -1.662 1.115 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.057 -1.507 1.137 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.879 -2.809 0.299 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.191 0.173 -0.203 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.446 -1.002 -1.269 1.00 0.71 H new ATOM 0 HE ARG A 73 -14.359 -0.654 -0.769 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -11.761 -2.381 -2.445 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -12.852 -3.087 -3.642 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -15.741 -1.586 -2.298 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -15.090 -2.640 -3.558 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.439 1.255 2.469 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.127 1.891 2.604 1.00 0.26 C ATOM 1033 C PHE A 74 -9.700 1.909 4.065 1.00 0.22 C ATOM 1034 O PHE A 74 -8.516 1.782 4.383 1.00 0.30 O ATOM 1035 CB PHE A 74 -10.148 3.321 2.062 1.00 0.27 C ATOM 1036 CG PHE A 74 -9.150 3.589 0.972 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.967 2.869 0.913 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.404 4.536 -0.006 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -7.055 3.092 -0.099 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.497 4.757 -1.024 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.287 4.135 -1.015 1.00 0.30 C ATOM 0 H PHE A 74 -12.166 1.865 2.095 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.413 1.309 2.021 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -11.147 3.538 1.684 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.962 4.011 2.885 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.756 2.125 1.667 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.320 5.107 0.028 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -6.174 2.473 -0.187 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.750 5.428 -1.832 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.512 4.439 -1.704 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.677 2.079 4.946 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.432 2.127 6.384 1.00 0.30 C ATOM 1053 C LYS A 75 -9.695 0.884 6.894 1.00 0.28 C ATOM 1054 O LYS A 75 -9.043 0.928 7.941 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.758 2.258 7.127 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.665 1.063 6.912 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.907 1.149 7.775 1.00 0.82 C ATOM 1058 CE LYS A 75 -13.945 0.041 8.818 1.00 1.28 C ATOM 1059 NZ LYS A 75 -13.155 0.395 10.026 1.00 1.72 N ATOM 0 H LYS A 75 -11.658 2.187 4.687 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.797 2.993 6.573 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.563 2.375 8.193 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.269 3.162 6.795 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.953 1.007 5.862 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.122 0.146 7.143 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.938 2.118 8.272 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.794 1.086 7.144 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.979 -0.154 9.104 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -13.554 -0.880 8.385 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -13.205 -0.384 10.714 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -12.163 0.557 9.757 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -13.543 1.260 10.454 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.802 -0.222 6.167 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.147 -1.461 6.573 1.00 0.22 C ATOM 1075 C TYR A 76 -7.655 -1.421 6.271 1.00 0.20 C ATOM 1076 O TYR A 76 -6.908 -2.306 6.689 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.788 -2.661 5.874 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.161 -3.001 6.396 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.327 -3.580 7.645 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.295 -2.741 5.638 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.586 -3.892 8.124 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.557 -3.049 6.110 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.697 -3.621 7.350 1.00 0.79 C ATOM 1084 OH TYR A 76 -14.953 -3.930 7.821 1.00 0.99 O ATOM 0 H TYR A 76 -10.333 -0.287 5.298 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.276 -1.566 7.650 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.855 -2.455 4.806 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.139 -3.529 5.991 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.460 -3.790 8.253 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.189 -2.290 4.662 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -12.700 -4.345 9.098 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.428 -2.841 5.507 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.624 -3.674 7.155 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.228 -0.388 5.558 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.823 -0.224 5.201 1.00 0.21 C ATOM 1096 C PHE A 77 -5.220 0.988 5.907 1.00 0.24 C ATOM 1097 O PHE A 77 -4.002 1.137 5.954 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.690 -0.005 3.690 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.598 -1.249 2.851 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.644 -2.223 3.096 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.468 -1.424 1.786 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.563 -3.349 2.293 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.387 -2.541 0.981 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.435 -3.507 1.236 1.00 0.24 C ATOM 0 H PHE A 77 -7.837 0.354 5.213 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.295 -1.128 5.507 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.547 0.576 3.350 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.802 0.600 3.507 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -3.957 -2.103 3.921 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.220 -0.675 1.584 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.817 -4.103 2.495 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -7.068 -2.660 0.151 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.373 -4.385 0.610 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.084 1.867 6.406 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.659 3.108 7.058 1.00 0.34 C ATOM 1116 C LYS A 78 -4.609 2.920 8.154 1.00 0.37 C ATOM 1117 O LYS A 78 -3.774 3.801 8.355 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.868 3.844 7.623 1.00 0.43 C ATOM 1119 CG LYS A 78 -7.463 4.847 6.651 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.176 6.277 7.078 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.242 7.230 6.566 1.00 0.98 C ATOM 1122 NZ LYS A 78 -9.161 7.657 7.652 1.00 1.37 N ATOM 0 H LYS A 78 -7.096 1.743 6.372 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.178 3.699 6.279 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.632 3.117 7.899 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.576 4.362 8.537 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.055 4.675 5.655 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -8.540 4.696 6.585 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.128 6.331 8.166 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -6.200 6.583 6.701 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -7.766 8.106 6.126 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.814 6.746 5.774 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -10.110 7.820 7.260 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -9.209 6.914 8.378 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -8.808 8.537 8.080 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.626 1.793 8.851 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.634 1.563 9.899 1.00 0.46 C ATOM 1138 C ALA A 79 -2.334 1.045 9.299 1.00 0.41 C ATOM 1139 O ALA A 79 -1.247 1.340 9.788 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.156 0.597 10.953 1.00 0.56 C ATOM 0 H ALA A 79 -5.298 1.037 8.717 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.438 2.517 10.388 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.394 0.447 11.718 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.055 1.010 11.411 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.393 -0.358 10.485 1.00 0.56 H new ATOM 1146 N THR A 80 -2.464 0.283 8.227 1.00 0.31 N ATOM 1147 CA THR A 80 -1.317 -0.279 7.541 1.00 0.30 C ATOM 1148 C THR A 80 -0.572 0.794 6.750 1.00 0.24 C ATOM 1149 O THR A 80 0.649 0.884 6.822 1.00 0.27 O ATOM 1150 CB THR A 80 -1.765 -1.417 6.610 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.933 -2.049 7.161 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.663 -2.451 6.430 1.00 0.46 C ATOM 0 H THR A 80 -3.362 0.038 7.811 1.00 0.31 H new ATOM 0 HA THR A 80 -0.633 -0.681 8.289 1.00 0.30 H new ATOM 0 HB THR A 80 -1.993 -0.992 5.633 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.745 -2.996 7.328 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.011 -3.242 5.766 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.216 -1.974 5.996 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.403 -2.878 7.399 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.314 1.623 6.012 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.714 2.700 5.230 1.00 0.24 C ATOM 1162 C ILE A 81 0.035 3.660 6.149 1.00 0.28 C ATOM 1163 O ILE A 81 1.115 4.150 5.816 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.766 3.498 4.419 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.742 2.567 3.696 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.074 4.391 3.411 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.095 3.203 3.427 1.00 0.55 C ATOM 0 H ILE A 81 -2.330 1.567 5.941 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.027 2.233 4.524 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.335 4.107 5.121 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.301 2.255 2.749 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.884 1.667 4.294 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -1.821 4.948 2.845 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.419 5.089 3.932 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.484 3.780 2.728 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.737 2.488 2.912 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.556 3.490 4.372 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.964 4.087 2.803 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.538 3.907 7.321 1.00 0.31 N ATOM 1180 CA ALA A 82 0.075 4.787 8.301 1.00 0.39 C ATOM 1181 C ALA A 82 1.381 4.191 8.809 1.00 0.41 C ATOM 1182 O ALA A 82 2.407 4.874 8.871 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.885 5.044 9.457 1.00 0.46 C ATOM 0 H ALA A 82 -1.430 3.507 7.614 1.00 0.31 H new ATOM 0 HA ALA A 82 0.298 5.740 7.821 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.412 5.705 10.183 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.793 5.512 9.078 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.137 4.099 9.937 1.00 0.46 H new ATOM 1189 N ASP A 83 1.338 2.909 9.152 1.00 0.37 N ATOM 1190 CA ASP A 83 2.520 2.205 9.641 1.00 0.42 C ATOM 1191 C ASP A 83 3.580 2.115 8.547 1.00 0.39 C ATOM 1192 O ASP A 83 4.764 2.334 8.798 1.00 0.46 O ATOM 1193 CB ASP A 83 2.124 0.808 10.148 1.00 0.47 C ATOM 1194 CG ASP A 83 3.090 -0.291 9.744 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.189 -0.366 10.331 1.00 1.40 O ATOM 1196 OD2 ASP A 83 2.768 -1.073 8.827 1.00 1.37 O ATOM 0 H ASP A 83 0.497 2.334 9.101 1.00 0.37 H new ATOM 0 HA ASP A 83 2.949 2.764 10.473 1.00 0.42 H new ATOM 0 HB2 ASP A 83 2.053 0.834 11.235 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.132 0.563 9.769 1.00 0.47 H new ATOM 1201 N LEU A 84 3.145 1.814 7.328 1.00 0.32 N ATOM 1202 CA LEU A 84 4.051 1.705 6.193 1.00 0.31 C ATOM 1203 C LEU A 84 4.723 3.041 5.905 1.00 0.35 C ATOM 1204 O LEU A 84 5.863 3.087 5.439 1.00 0.42 O ATOM 1205 CB LEU A 84 3.289 1.242 4.949 1.00 0.29 C ATOM 1206 CG LEU A 84 3.048 -0.260 4.864 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.892 -0.561 3.923 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.313 -0.972 4.411 1.00 0.48 C ATOM 0 H LEU A 84 2.166 1.641 7.101 1.00 0.32 H new ATOM 0 HA LEU A 84 4.817 0.972 6.444 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.326 1.752 4.921 1.00 0.29 H new ATOM 0 HB3 LEU A 84 3.842 1.557 4.064 1.00 0.29 H new ATOM 0 HG LEU A 84 2.783 -0.628 5.855 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.734 -1.638 3.874 1.00 0.40 H new ATOM 0 HD12 LEU A 84 0.987 -0.078 4.292 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.125 -0.183 2.928 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.127 -2.044 4.355 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.606 -0.603 3.428 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.114 -0.780 5.125 1.00 0.48 H new ATOM 1220 N SER A 85 4.006 4.125 6.188 1.00 0.37 N ATOM 1221 CA SER A 85 4.520 5.468 5.958 1.00 0.50 C ATOM 1222 C SER A 85 5.601 5.822 6.973 1.00 0.61 C ATOM 1223 O SER A 85 6.533 6.568 6.667 1.00 0.73 O ATOM 1224 CB SER A 85 3.377 6.480 6.004 1.00 0.57 C ATOM 1225 OG SER A 85 3.563 7.514 5.058 1.00 1.37 O ATOM 0 H SER A 85 3.064 4.097 6.578 1.00 0.37 H new ATOM 0 HA SER A 85 4.975 5.500 4.968 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.432 5.973 5.809 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.309 6.908 7.004 1.00 0.57 H new ATOM 0 HG SER A 85 2.814 8.144 5.111 1.00 1.37 H new ATOM 1231 N LYS A 86 5.487 5.276 8.176 1.00 0.60 N ATOM 1232 CA LYS A 86 6.463 5.533 9.227 1.00 0.74 C ATOM 1233 C LYS A 86 7.658 4.589 9.106 1.00 0.78 C ATOM 1234 O LYS A 86 8.761 4.900 9.567 1.00 0.98 O ATOM 1235 CB LYS A 86 5.803 5.395 10.602 1.00 0.75 C ATOM 1236 CG LYS A 86 5.519 6.732 11.269 1.00 1.29 C ATOM 1237 CD LYS A 86 4.704 6.578 12.541 1.00 1.79 C ATOM 1238 CE LYS A 86 3.255 6.983 12.320 1.00 2.34 C ATOM 1239 NZ LYS A 86 2.469 6.955 13.578 1.00 3.07 N ATOM 0 H LYS A 86 4.728 4.652 8.449 1.00 0.60 H new ATOM 0 HA LYS A 86 6.830 6.553 9.115 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.869 4.844 10.495 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.450 4.803 11.250 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.462 7.227 11.502 1.00 1.29 H new ATOM 0 HG3 LYS A 86 4.983 7.377 10.572 1.00 1.29 H new ATOM 0 HD2 LYS A 86 4.747 5.543 12.880 1.00 1.79 H new ATOM 0 HD3 LYS A 86 5.139 7.191 13.331 1.00 1.79 H new ATOM 0 HE2 LYS A 86 3.220 7.986 11.894 1.00 2.34 H new ATOM 0 HE3 LYS A 86 2.798 6.312 11.593 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 1.488 7.238 13.381 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 2.479 5.993 13.972 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 2.888 7.615 14.264 1.00 3.07 H new ATOM 1253 N LYS A 87 7.441 3.440 8.484 1.00 0.75 N ATOM 1254 CA LYS A 87 8.492 2.458 8.299 1.00 0.86 C ATOM 1255 C LYS A 87 9.411 2.890 7.155 1.00 0.93 C ATOM 1256 O LYS A 87 10.628 2.714 7.214 1.00 1.11 O ATOM 1257 CB LYS A 87 7.865 1.097 8.002 1.00 0.91 C ATOM 1258 CG LYS A 87 7.073 0.516 9.163 1.00 1.01 C ATOM 1259 CD LYS A 87 7.773 -0.672 9.804 1.00 1.35 C ATOM 1260 CE LYS A 87 7.730 -0.579 11.321 1.00 2.18 C ATOM 1261 NZ LYS A 87 6.350 -0.332 11.824 1.00 2.78 N ATOM 0 H LYS A 87 6.538 3.166 8.097 1.00 0.75 H new ATOM 0 HA LYS A 87 9.088 2.381 9.208 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.207 1.192 7.138 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.654 0.397 7.727 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.914 1.290 9.914 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.089 0.208 8.810 1.00 1.01 H new ATOM 0 HD2 LYS A 87 7.297 -1.597 9.480 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.809 -0.712 9.468 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.113 -1.504 11.752 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.387 0.224 11.654 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 6.221 -0.816 12.736 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 6.204 0.690 11.951 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 5.660 -0.698 11.137 1.00 2.78 H new