USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1011 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 25 LYS NZ :NH3+ -176:sc= 0.00172 (180deg=0) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.483 X(o=-0.48,f=0.0072) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.17 K(o=1.2,f=-0.018) USER MOD Single : A 15 MET CE :methyl -173:sc= 0 (180deg=-0.0311) USER MOD Single : A 26 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.17) USER MOD Single : A 29 SER OG : rot -45:sc= 1.14 USER MOD Single : A 30 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.61) USER MOD Single : A 36 TYR OH : rot 133:sc= -0.72 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.65) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -76:sc= 1.26 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 140:sc= -0.619 USER MOD Single : A 67 THR OG1 : rot 82:sc= 0.211 USER MOD Single : A 72 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 73 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0292 F(o=-1.2,f=-0.029) USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= -0.217 (180deg=-2.15!) USER MOD Single : A 87 MET CE :methyl -145:sc= -3.13 (180deg=-8.29!) USER MOD Single : A 91 GLN : amide:sc= -0.505 K(o=-0.5,f=-2.5!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.102 F(o=-1.7,f=-0.1) USER MOD Single : A 93 ASN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.22) USER MOD Single : A 106 MET CE :methyl -162:sc=-0.00193 (180deg=-0.31) USER MOD Single : A 108 THR OG1 : rot 53:sc= -0.368 USER MOD Single : A 110 SER OG : rot -110:sc= -2.61! USER MOD Single : A 112 THR OG1 : rot -160:sc= -0.377 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.4) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 128 LYS NZ :NH3+ -129:sc= -0.406 (180deg=-1.57) USER MOD ----------------------------------------------------------------- ATOM 106 N ASP A 8 17.688 -8.802 -7.692 1.00 52.51 N ATOM 107 CA ASP A 8 17.592 -10.046 -6.938 1.00 62.33 C ATOM 108 C ASP A 8 16.565 -10.984 -7.565 1.00 52.42 C ATOM 109 O ASP A 8 15.591 -11.375 -6.921 1.00 11.05 O ATOM 110 CB ASP A 8 17.218 -9.759 -5.483 1.00 41.04 C ATOM 111 CG ASP A 8 17.653 -10.867 -4.544 1.00 53.13 C ATOM 112 OD1 ASP A 8 18.037 -11.947 -5.039 1.00 73.02 O ATOM 113 OD2 ASP A 8 17.608 -10.654 -3.314 1.00 70.23 O ATOM 0 HA ASP A 8 18.567 -10.534 -6.964 1.00 62.33 H new ATOM 0 HB2 ASP A 8 17.677 -8.821 -5.171 1.00 41.04 H new ATOM 0 HB3 ASP A 8 16.139 -9.626 -5.408 1.00 41.04 H new ATOM 118 N LEU A 9 16.787 -11.339 -8.826 1.00 25.14 N ATOM 119 CA LEU A 9 15.880 -12.230 -9.541 1.00 24.11 C ATOM 120 C LEU A 9 16.188 -13.690 -9.223 1.00 42.15 C ATOM 121 O LEU A 9 15.429 -14.589 -9.587 1.00 4.40 O ATOM 122 CB LEU A 9 15.983 -11.991 -11.048 1.00 62.54 C ATOM 123 CG LEU A 9 17.107 -12.735 -11.771 1.00 30.53 C ATOM 124 CD1 LEU A 9 16.966 -12.583 -13.277 1.00 41.22 C ATOM 125 CD2 LEU A 9 18.465 -12.231 -11.306 1.00 43.32 C ATOM 0 H LEU A 9 17.587 -11.023 -9.374 1.00 25.14 H new ATOM 0 HA LEU A 9 14.863 -12.013 -9.214 1.00 24.11 H new ATOM 0 HB2 LEU A 9 15.035 -12.273 -11.506 1.00 62.54 H new ATOM 0 HB3 LEU A 9 16.114 -10.922 -11.218 1.00 62.54 H new ATOM 0 HG LEU A 9 17.032 -13.794 -11.526 1.00 30.53 H new ATOM 0 HD11 LEU A 9 17.775 -13.119 -13.774 1.00 41.22 H new ATOM 0 HD12 LEU A 9 16.008 -12.994 -13.596 1.00 41.22 H new ATOM 0 HD13 LEU A 9 17.014 -11.527 -13.542 1.00 41.22 H new ATOM 0 HD21 LEU A 9 19.253 -12.771 -11.831 1.00 43.32 H new ATOM 0 HD22 LEU A 9 18.551 -11.166 -11.521 1.00 43.32 H new ATOM 0 HD23 LEU A 9 18.566 -12.394 -10.233 1.00 43.32 H new ATOM 137 N VAL A 10 17.306 -13.919 -8.541 1.00 13.11 N ATOM 138 CA VAL A 10 17.712 -15.269 -8.171 1.00 64.30 C ATOM 139 C VAL A 10 16.606 -15.986 -7.405 1.00 61.13 C ATOM 140 O VAL A 10 16.261 -17.127 -7.714 1.00 44.04 O ATOM 141 CB VAL A 10 18.990 -15.255 -7.312 1.00 4.15 C ATOM 142 CG1 VAL A 10 19.365 -16.667 -6.888 1.00 2.10 C ATOM 143 CG2 VAL A 10 20.133 -14.595 -8.068 1.00 65.31 C ATOM 0 H VAL A 10 17.946 -13.187 -8.234 1.00 13.11 H new ATOM 0 HA VAL A 10 17.912 -15.804 -9.099 1.00 64.30 H new ATOM 0 HB VAL A 10 18.795 -14.671 -6.412 1.00 4.15 H new ATOM 0 HG11 VAL A 10 20.270 -16.637 -6.282 1.00 2.10 H new ATOM 0 HG12 VAL A 10 18.552 -17.100 -6.305 1.00 2.10 H new ATOM 0 HG13 VAL A 10 19.541 -17.278 -7.773 1.00 2.10 H new ATOM 0 HG21 VAL A 10 21.028 -14.594 -7.446 1.00 65.31 H new ATOM 0 HG22 VAL A 10 20.330 -15.149 -8.986 1.00 65.31 H new ATOM 0 HG23 VAL A 10 19.861 -13.569 -8.315 1.00 65.31 H new ATOM 153 N TYR A 11 16.053 -15.310 -6.405 1.00 53.41 N ATOM 154 CA TYR A 11 14.986 -15.882 -5.593 1.00 32.41 C ATOM 155 C TYR A 11 13.638 -15.756 -6.297 1.00 30.45 C ATOM 156 O TYR A 11 12.611 -16.200 -5.781 1.00 11.21 O ATOM 157 CB TYR A 11 14.928 -15.192 -4.229 1.00 20.40 C ATOM 158 CG TYR A 11 14.133 -13.906 -4.234 1.00 63.13 C ATOM 159 CD1 TYR A 11 12.766 -13.910 -3.989 1.00 32.00 C ATOM 160 CD2 TYR A 11 14.751 -12.686 -4.484 1.00 34.43 C ATOM 161 CE1 TYR A 11 12.036 -12.737 -3.994 1.00 31.33 C ATOM 162 CE2 TYR A 11 14.029 -11.508 -4.489 1.00 32.41 C ATOM 163 CZ TYR A 11 12.672 -11.539 -4.244 1.00 32.11 C ATOM 164 OH TYR A 11 11.948 -10.369 -4.248 1.00 44.50 O ATOM 0 H TYR A 11 16.326 -14.365 -6.137 1.00 53.41 H new ATOM 0 HA TYR A 11 15.202 -16.940 -5.448 1.00 32.41 H new ATOM 0 HB2 TYR A 11 14.490 -15.877 -3.503 1.00 20.40 H new ATOM 0 HB3 TYR A 11 15.944 -14.980 -3.895 1.00 20.40 H new ATOM 0 HD1 TYR A 11 12.265 -14.846 -3.791 1.00 32.00 H new ATOM 0 HD2 TYR A 11 15.813 -12.659 -4.678 1.00 34.43 H new ATOM 0 HE1 TYR A 11 10.973 -12.758 -3.803 1.00 31.33 H new ATOM 0 HE2 TYR A 11 14.524 -10.568 -4.684 1.00 32.41 H new ATOM 0 HH TYR A 11 12.545 -9.616 -4.439 1.00 44.50 H new ATOM 174 N LEU A 12 13.649 -15.149 -7.478 1.00 65.30 N ATOM 175 CA LEU A 12 12.429 -14.965 -8.255 1.00 52.42 C ATOM 176 C LEU A 12 12.257 -16.087 -9.274 1.00 14.13 C ATOM 177 O LEU A 12 11.139 -16.410 -9.673 1.00 53.42 O ATOM 178 CB LEU A 12 12.455 -13.612 -8.969 1.00 63.03 C ATOM 179 CG LEU A 12 11.978 -12.412 -8.151 1.00 54.33 C ATOM 180 CD1 LEU A 12 12.452 -11.112 -8.784 1.00 35.35 C ATOM 181 CD2 LEU A 12 10.461 -12.423 -8.024 1.00 3.25 C ATOM 0 H LEU A 12 14.490 -14.776 -7.919 1.00 65.30 H new ATOM 0 HA LEU A 12 11.583 -14.991 -7.568 1.00 52.42 H new ATOM 0 HB2 LEU A 12 13.475 -13.418 -9.300 1.00 63.03 H new ATOM 0 HB3 LEU A 12 11.838 -13.684 -9.864 1.00 63.03 H new ATOM 0 HG LEU A 12 12.407 -12.484 -7.152 1.00 54.33 H new ATOM 0 HD11 LEU A 12 12.103 -10.269 -8.188 1.00 35.35 H new ATOM 0 HD12 LEU A 12 13.541 -11.102 -8.823 1.00 35.35 H new ATOM 0 HD13 LEU A 12 12.052 -11.032 -9.795 1.00 35.35 H new ATOM 0 HD21 LEU A 12 10.139 -11.562 -7.439 1.00 3.25 H new ATOM 0 HD22 LEU A 12 10.012 -12.376 -9.016 1.00 3.25 H new ATOM 0 HD23 LEU A 12 10.144 -13.339 -7.526 1.00 3.25 H new ATOM 193 N ASN A 13 13.372 -16.679 -9.688 1.00 71.31 N ATOM 194 CA ASN A 13 13.344 -17.767 -10.659 1.00 22.21 C ATOM 195 C ASN A 13 13.353 -19.122 -9.958 1.00 22.32 C ATOM 196 O ASN A 13 12.988 -20.140 -10.546 1.00 64.31 O ATOM 197 CB ASN A 13 14.540 -17.663 -11.607 1.00 64.11 C ATOM 198 CG ASN A 13 14.401 -16.516 -12.590 1.00 21.52 C ATOM 199 OD1 ASN A 13 13.935 -16.701 -13.714 1.00 61.12 O ATOM 200 ND2 ASN A 13 14.806 -15.324 -12.169 1.00 2.04 N ATOM 0 H ASN A 13 14.306 -16.424 -9.367 1.00 71.31 H new ATOM 0 HA ASN A 13 12.423 -17.682 -11.236 1.00 22.21 H new ATOM 0 HB2 ASN A 13 15.451 -17.530 -11.024 1.00 64.11 H new ATOM 0 HB3 ASN A 13 14.647 -18.598 -12.157 1.00 64.11 H new ATOM 0 HD21 ASN A 13 14.737 -14.515 -12.786 1.00 2.04 H new ATOM 0 HD22 ASN A 13 15.186 -15.217 -11.228 1.00 2.04 H new ATOM 207 N VAL A 14 13.772 -19.127 -8.696 1.00 43.03 N ATOM 208 CA VAL A 14 13.827 -20.356 -7.914 1.00 4.14 C ATOM 209 C VAL A 14 12.457 -20.707 -7.345 1.00 23.03 C ATOM 210 O VAL A 14 12.159 -21.874 -7.094 1.00 30.23 O ATOM 211 CB VAL A 14 14.837 -20.239 -6.756 1.00 62.44 C ATOM 212 CG1 VAL A 14 14.292 -19.337 -5.660 1.00 74.12 C ATOM 213 CG2 VAL A 14 15.177 -21.616 -6.205 1.00 75.24 C ATOM 0 H VAL A 14 14.078 -18.294 -8.194 1.00 43.03 H new ATOM 0 HA VAL A 14 14.150 -21.148 -8.590 1.00 4.14 H new ATOM 0 HB VAL A 14 15.753 -19.790 -7.140 1.00 62.44 H new ATOM 0 HG11 VAL A 14 15.019 -19.267 -4.851 1.00 74.12 H new ATOM 0 HG12 VAL A 14 14.104 -18.343 -6.066 1.00 74.12 H new ATOM 0 HG13 VAL A 14 13.361 -19.753 -5.276 1.00 74.12 H new ATOM 0 HG21 VAL A 14 15.891 -21.515 -5.388 1.00 75.24 H new ATOM 0 HG22 VAL A 14 14.270 -22.095 -5.836 1.00 75.24 H new ATOM 0 HG23 VAL A 14 15.614 -22.226 -6.995 1.00 75.24 H new ATOM 223 N MET A 15 11.627 -19.689 -7.144 1.00 43.40 N ATOM 224 CA MET A 15 10.287 -19.890 -6.606 1.00 30.20 C ATOM 225 C MET A 15 9.467 -20.799 -7.516 1.00 71.10 C ATOM 226 O MET A 15 8.980 -21.845 -7.088 1.00 5.05 O ATOM 227 CB MET A 15 9.576 -18.547 -6.433 1.00 42.41 C ATOM 228 CG MET A 15 8.460 -18.578 -5.402 1.00 55.02 C ATOM 229 SD MET A 15 7.189 -17.338 -5.717 1.00 11.03 S ATOM 230 CE MET A 15 8.140 -15.829 -5.552 1.00 30.22 C ATOM 0 H MET A 15 11.859 -18.716 -7.346 1.00 43.40 H new ATOM 0 HA MET A 15 10.382 -20.370 -5.632 1.00 30.20 H new ATOM 0 HB2 MET A 15 10.307 -17.793 -6.142 1.00 42.41 H new ATOM 0 HB3 MET A 15 9.164 -18.237 -7.393 1.00 42.41 H new ATOM 0 HG2 MET A 15 8.003 -19.568 -5.396 1.00 55.02 H new ATOM 0 HG3 MET A 15 8.882 -18.416 -4.410 1.00 55.02 H new ATOM 0 HE1 MET A 15 7.470 -14.970 -5.596 1.00 30.22 H new ATOM 0 HE2 MET A 15 8.664 -15.832 -4.596 1.00 30.22 H new ATOM 0 HE3 MET A 15 8.865 -15.765 -6.363 1.00 30.22 H new ATOM 240 N GLU A 16 9.318 -20.392 -8.773 1.00 31.22 N ATOM 241 CA GLU A 16 8.555 -21.171 -9.742 1.00 3.43 C ATOM 242 C GLU A 16 9.027 -22.622 -9.766 1.00 44.44 C ATOM 243 O GLU A 16 8.219 -23.548 -9.843 1.00 23.12 O ATOM 244 CB GLU A 16 8.685 -20.557 -11.137 1.00 55.14 C ATOM 245 CG GLU A 16 7.671 -19.460 -11.416 1.00 51.22 C ATOM 246 CD GLU A 16 7.705 -18.987 -12.856 1.00 54.34 C ATOM 247 OE1 GLU A 16 8.752 -18.458 -13.283 1.00 50.25 O ATOM 248 OE2 GLU A 16 6.683 -19.146 -13.557 1.00 14.04 O ATOM 0 H GLU A 16 9.715 -19.529 -9.144 1.00 31.22 H new ATOM 0 HA GLU A 16 7.507 -21.153 -9.441 1.00 3.43 H new ATOM 0 HB2 GLU A 16 9.689 -20.150 -11.253 1.00 55.14 H new ATOM 0 HB3 GLU A 16 8.571 -21.344 -11.883 1.00 55.14 H new ATOM 0 HG2 GLU A 16 6.671 -19.826 -11.181 1.00 51.22 H new ATOM 0 HG3 GLU A 16 7.864 -18.615 -10.755 1.00 51.22 H new ATOM 255 N LEU A 17 10.341 -22.811 -9.702 1.00 34.21 N ATOM 256 CA LEU A 17 10.922 -24.149 -9.717 1.00 61.03 C ATOM 257 C LEU A 17 10.333 -25.012 -8.606 1.00 12.31 C ATOM 258 O LEU A 17 9.751 -26.065 -8.865 1.00 63.25 O ATOM 259 CB LEU A 17 12.442 -24.068 -9.564 1.00 11.31 C ATOM 260 CG LEU A 17 13.157 -25.385 -9.261 1.00 3.44 C ATOM 261 CD1 LEU A 17 13.118 -26.304 -10.471 1.00 62.41 C ATOM 262 CD2 LEU A 17 14.594 -25.125 -8.832 1.00 41.42 C ATOM 0 H LEU A 17 11.023 -22.055 -9.639 1.00 34.21 H new ATOM 0 HA LEU A 17 10.683 -24.611 -10.675 1.00 61.03 H new ATOM 0 HB2 LEU A 17 12.858 -23.655 -10.483 1.00 11.31 H new ATOM 0 HB3 LEU A 17 12.670 -23.362 -8.765 1.00 11.31 H new ATOM 0 HG LEU A 17 12.637 -25.878 -8.440 1.00 3.44 H new ATOM 0 HD11 LEU A 17 13.632 -27.236 -10.237 1.00 62.41 H new ATOM 0 HD12 LEU A 17 12.082 -26.517 -10.733 1.00 62.41 H new ATOM 0 HD13 LEU A 17 13.613 -25.819 -11.312 1.00 62.41 H new ATOM 0 HD21 LEU A 17 15.088 -26.073 -8.620 1.00 41.42 H new ATOM 0 HD22 LEU A 17 15.125 -24.610 -9.632 1.00 41.42 H new ATOM 0 HD23 LEU A 17 14.600 -24.505 -7.935 1.00 41.42 H new ATOM 274 N VAL A 18 10.486 -24.556 -7.366 1.00 75.43 N ATOM 275 CA VAL A 18 9.966 -25.285 -6.215 1.00 52.50 C ATOM 276 C VAL A 18 8.457 -25.477 -6.322 1.00 2.12 C ATOM 277 O VAL A 18 7.888 -26.367 -5.689 1.00 44.30 O ATOM 278 CB VAL A 18 10.287 -24.554 -4.897 1.00 61.44 C ATOM 279 CG1 VAL A 18 9.886 -25.406 -3.703 1.00 71.50 C ATOM 280 CG2 VAL A 18 11.764 -24.195 -4.834 1.00 70.15 C ATOM 0 H VAL A 18 10.965 -23.686 -7.133 1.00 75.43 H new ATOM 0 HA VAL A 18 10.454 -26.260 -6.210 1.00 52.50 H new ATOM 0 HB VAL A 18 9.710 -23.630 -4.864 1.00 61.44 H new ATOM 0 HG11 VAL A 18 10.120 -24.874 -2.781 1.00 71.50 H new ATOM 0 HG12 VAL A 18 8.816 -25.608 -3.743 1.00 71.50 H new ATOM 0 HG13 VAL A 18 10.434 -26.348 -3.727 1.00 71.50 H new ATOM 0 HG21 VAL A 18 11.973 -23.679 -3.897 1.00 70.15 H new ATOM 0 HG22 VAL A 18 12.362 -25.105 -4.889 1.00 70.15 H new ATOM 0 HG23 VAL A 18 12.016 -23.544 -5.671 1.00 70.15 H new ATOM 290 N ARG A 19 7.815 -24.637 -7.127 1.00 33.30 N ATOM 291 CA ARG A 19 6.371 -24.714 -7.316 1.00 62.34 C ATOM 292 C ARG A 19 6.016 -25.760 -8.369 1.00 61.23 C ATOM 293 O ARG A 19 4.921 -26.320 -8.357 1.00 75.42 O ATOM 294 CB ARG A 19 5.816 -23.350 -7.730 1.00 21.12 C ATOM 295 CG ARG A 19 4.387 -23.110 -7.272 1.00 12.12 C ATOM 296 CD ARG A 19 3.383 -23.536 -8.332 1.00 1.51 C ATOM 297 NE ARG A 19 2.103 -23.927 -7.748 1.00 22.51 N ATOM 298 CZ ARG A 19 1.170 -23.060 -7.374 1.00 13.33 C ATOM 299 NH1 ARG A 19 1.372 -21.758 -7.522 1.00 42.13 N ATOM 300 NH2 ARG A 19 0.030 -23.494 -6.850 1.00 43.21 N ATOM 0 H ARG A 19 8.271 -23.896 -7.659 1.00 33.30 H new ATOM 0 HA ARG A 19 5.921 -25.009 -6.368 1.00 62.34 H new ATOM 0 HB2 ARG A 19 6.456 -22.568 -7.322 1.00 21.12 H new ATOM 0 HB3 ARG A 19 5.860 -23.263 -8.816 1.00 21.12 H new ATOM 0 HG2 ARG A 19 4.201 -23.662 -6.351 1.00 12.12 H new ATOM 0 HG3 ARG A 19 4.250 -22.053 -7.043 1.00 12.12 H new ATOM 0 HD2 ARG A 19 3.226 -22.716 -9.033 1.00 1.51 H new ATOM 0 HD3 ARG A 19 3.791 -24.370 -8.903 1.00 1.51 H new ATOM 0 HE ARG A 19 1.915 -24.921 -7.620 1.00 22.51 H new ATOM 0 HH11 ARG A 19 2.246 -21.420 -7.924 1.00 42.13 H new ATOM 0 HH12 ARG A 19 0.653 -21.094 -7.234 1.00 42.13 H new ATOM 0 HH21 ARG A 19 -0.130 -24.495 -6.734 1.00 43.21 H new ATOM 0 HH22 ARG A 19 -0.686 -22.827 -6.563 1.00 43.21 H new ATOM 314 N ALA A 20 6.950 -26.017 -9.279 1.00 62.20 N ATOM 315 CA ALA A 20 6.737 -26.996 -10.338 1.00 33.23 C ATOM 316 C ALA A 20 7.137 -28.395 -9.881 1.00 12.11 C ATOM 317 O ALA A 20 6.646 -29.395 -10.405 1.00 53.54 O ATOM 318 CB ALA A 20 7.515 -26.603 -11.585 1.00 31.33 C ATOM 0 H ALA A 20 7.862 -25.561 -9.304 1.00 62.20 H new ATOM 0 HA ALA A 20 5.674 -27.011 -10.577 1.00 33.23 H new ATOM 0 HB1 ALA A 20 7.346 -27.343 -12.367 1.00 31.33 H new ATOM 0 HB2 ALA A 20 7.178 -25.626 -11.931 1.00 31.33 H new ATOM 0 HB3 ALA A 20 8.579 -26.558 -11.351 1.00 31.33 H new ATOM 324 N VAL A 21 8.032 -28.459 -8.901 1.00 3.25 N ATOM 325 CA VAL A 21 8.498 -29.735 -8.373 1.00 24.53 C ATOM 326 C VAL A 21 7.674 -30.165 -7.164 1.00 53.44 C ATOM 327 O VAL A 21 7.801 -31.290 -6.680 1.00 3.23 O ATOM 328 CB VAL A 21 9.983 -29.668 -7.969 1.00 43.41 C ATOM 329 CG1 VAL A 21 10.165 -28.777 -6.749 1.00 60.33 C ATOM 330 CG2 VAL A 21 10.528 -31.063 -7.707 1.00 31.44 C ATOM 0 H VAL A 21 8.449 -27.641 -8.456 1.00 3.25 H new ATOM 0 HA VAL A 21 8.378 -30.468 -9.171 1.00 24.53 H new ATOM 0 HB VAL A 21 10.546 -29.233 -8.794 1.00 43.41 H new ATOM 0 HG11 VAL A 21 11.220 -28.742 -6.478 1.00 60.33 H new ATOM 0 HG12 VAL A 21 9.815 -27.770 -6.978 1.00 60.33 H new ATOM 0 HG13 VAL A 21 9.590 -29.180 -5.915 1.00 60.33 H new ATOM 0 HG21 VAL A 21 11.578 -30.996 -7.423 1.00 31.44 H new ATOM 0 HG22 VAL A 21 9.963 -31.529 -6.900 1.00 31.44 H new ATOM 0 HG23 VAL A 21 10.434 -31.666 -8.610 1.00 31.44 H new ATOM 340 N LEU A 22 6.827 -29.262 -6.682 1.00 42.42 N ATOM 341 CA LEU A 22 5.980 -29.546 -5.530 1.00 34.35 C ATOM 342 C LEU A 22 4.654 -30.162 -5.967 1.00 25.21 C ATOM 343 O LEU A 22 4.037 -30.923 -5.222 1.00 42.40 O ATOM 344 CB LEU A 22 5.722 -28.266 -4.733 1.00 33.23 C ATOM 345 CG LEU A 22 6.598 -28.057 -3.497 1.00 40.43 C ATOM 346 CD1 LEU A 22 6.327 -26.695 -2.875 1.00 61.54 C ATOM 347 CD2 LEU A 22 6.363 -29.165 -2.482 1.00 74.30 C ATOM 0 H LEU A 22 6.709 -28.327 -7.072 1.00 42.42 H new ATOM 0 HA LEU A 22 6.501 -30.263 -4.896 1.00 34.35 H new ATOM 0 HB2 LEU A 22 5.858 -27.414 -5.399 1.00 33.23 H new ATOM 0 HB3 LEU A 22 4.678 -28.261 -4.419 1.00 33.23 H new ATOM 0 HG LEU A 22 7.643 -28.092 -3.806 1.00 40.43 H new ATOM 0 HD11 LEU A 22 6.959 -26.564 -1.997 1.00 61.54 H new ATOM 0 HD12 LEU A 22 6.548 -25.913 -3.601 1.00 61.54 H new ATOM 0 HD13 LEU A 22 5.279 -26.631 -2.581 1.00 61.54 H new ATOM 0 HD21 LEU A 22 6.995 -28.999 -1.610 1.00 74.30 H new ATOM 0 HD22 LEU A 22 5.316 -29.164 -2.178 1.00 74.30 H new ATOM 0 HD23 LEU A 22 6.609 -30.127 -2.931 1.00 74.30 H new ATOM 359 N GLU A 23 4.225 -29.830 -7.180 1.00 40.33 N ATOM 360 CA GLU A 23 2.974 -30.352 -7.717 1.00 13.13 C ATOM 361 C GLU A 23 3.115 -31.824 -8.091 1.00 73.43 C ATOM 362 O GLU A 23 2.138 -32.574 -8.086 1.00 73.53 O ATOM 363 CB GLU A 23 2.540 -29.542 -8.941 1.00 24.33 C ATOM 364 CG GLU A 23 3.442 -29.735 -10.148 1.00 42.03 C ATOM 365 CD GLU A 23 2.874 -29.109 -11.407 1.00 35.01 C ATOM 366 OE1 GLU A 23 1.962 -29.712 -12.011 1.00 31.25 O ATOM 367 OE2 GLU A 23 3.341 -28.015 -11.788 1.00 34.11 O ATOM 0 H GLU A 23 4.725 -29.202 -7.809 1.00 40.33 H new ATOM 0 HA GLU A 23 2.211 -30.263 -6.943 1.00 13.13 H new ATOM 0 HB2 GLU A 23 1.522 -29.823 -9.210 1.00 24.33 H new ATOM 0 HB3 GLU A 23 2.520 -28.484 -8.678 1.00 24.33 H new ATOM 0 HG2 GLU A 23 4.419 -29.300 -9.940 1.00 42.03 H new ATOM 0 HG3 GLU A 23 3.596 -30.801 -10.315 1.00 42.03 H new ATOM 374 N LEU A 24 4.337 -32.232 -8.416 1.00 52.52 N ATOM 375 CA LEU A 24 4.607 -33.614 -8.794 1.00 63.32 C ATOM 376 C LEU A 24 4.869 -34.474 -7.562 1.00 71.50 C ATOM 377 O LEU A 24 5.065 -35.685 -7.667 1.00 24.41 O ATOM 378 CB LEU A 24 5.808 -33.680 -9.740 1.00 52.40 C ATOM 379 CG LEU A 24 7.186 -33.625 -9.080 1.00 20.30 C ATOM 380 CD1 LEU A 24 7.669 -35.026 -8.737 1.00 43.12 C ATOM 381 CD2 LEU A 24 8.185 -32.922 -9.987 1.00 54.34 C ATOM 0 H LEU A 24 5.157 -31.625 -8.425 1.00 52.52 H new ATOM 0 HA LEU A 24 3.727 -34.003 -9.306 1.00 63.32 H new ATOM 0 HB2 LEU A 24 5.740 -34.602 -10.317 1.00 52.40 H new ATOM 0 HB3 LEU A 24 5.733 -32.855 -10.448 1.00 52.40 H new ATOM 0 HG LEU A 24 7.102 -33.054 -8.155 1.00 20.30 H new ATOM 0 HD11 LEU A 24 8.651 -34.968 -8.268 1.00 43.12 H new ATOM 0 HD12 LEU A 24 6.966 -35.495 -8.049 1.00 43.12 H new ATOM 0 HD13 LEU A 24 7.737 -35.621 -9.648 1.00 43.12 H new ATOM 0 HD21 LEU A 24 9.160 -32.892 -9.501 1.00 54.34 H new ATOM 0 HD22 LEU A 24 8.266 -33.465 -10.929 1.00 54.34 H new ATOM 0 HD23 LEU A 24 7.846 -31.905 -10.182 1.00 54.34 H new ATOM 393 N LYS A 25 4.868 -33.841 -6.394 1.00 32.41 N ATOM 394 CA LYS A 25 5.101 -34.548 -5.140 1.00 3.21 C ATOM 395 C LYS A 25 3.802 -35.132 -4.595 1.00 21.05 C ATOM 396 O LYS A 25 3.667 -36.347 -4.457 1.00 74.05 O ATOM 397 CB LYS A 25 5.722 -33.604 -4.107 1.00 71.41 C ATOM 398 CG LYS A 25 7.241 -33.605 -4.117 1.00 73.54 C ATOM 399 CD LYS A 25 7.806 -32.606 -3.122 1.00 71.02 C ATOM 400 CE LYS A 25 7.689 -33.115 -1.694 1.00 12.04 C ATOM 401 NZ LYS A 25 7.656 -31.999 -0.708 1.00 63.02 N ATOM 0 H LYS A 25 4.708 -32.839 -6.289 1.00 32.41 H new ATOM 0 HA LYS A 25 5.792 -35.368 -5.336 1.00 3.21 H new ATOM 0 HB2 LYS A 25 5.367 -32.591 -4.293 1.00 71.41 H new ATOM 0 HB3 LYS A 25 5.373 -33.886 -3.114 1.00 71.41 H new ATOM 0 HG2 LYS A 25 7.607 -34.604 -3.878 1.00 73.54 H new ATOM 0 HG3 LYS A 25 7.599 -33.365 -5.118 1.00 73.54 H new ATOM 0 HD2 LYS A 25 8.853 -32.411 -3.355 1.00 71.02 H new ATOM 0 HD3 LYS A 25 7.276 -31.658 -3.216 1.00 71.02 H new ATOM 0 HE2 LYS A 25 6.784 -33.714 -1.595 1.00 12.04 H new ATOM 0 HE3 LYS A 25 8.531 -33.771 -1.472 1.00 12.04 H new ATOM 0 HZ1 LYS A 25 7.644 -32.388 0.256 1.00 63.02 H new ATOM 0 HZ2 LYS A 25 8.499 -31.403 -0.830 1.00 63.02 H new ATOM 0 HZ3 LYS A 25 6.802 -31.426 -0.861 1.00 63.02 H new ATOM 415 N ASN A 26 2.849 -34.258 -4.286 1.00 61.34 N ATOM 416 CA ASN A 26 1.560 -34.688 -3.757 1.00 21.41 C ATOM 417 C ASN A 26 0.773 -35.467 -4.807 1.00 21.03 C ATOM 418 O ASN A 26 -0.088 -36.281 -4.474 1.00 4.35 O ATOM 419 CB ASN A 26 0.749 -33.479 -3.288 1.00 54.02 C ATOM 420 CG ASN A 26 1.609 -32.437 -2.600 1.00 30.24 C ATOM 421 OD1 ASN A 26 1.490 -31.242 -2.868 1.00 41.33 O ATOM 422 ND2 ASN A 26 2.482 -32.888 -1.706 1.00 11.31 N ATOM 0 H ASN A 26 2.945 -33.248 -4.393 1.00 61.34 H new ATOM 0 HA ASN A 26 1.745 -35.345 -2.907 1.00 21.41 H new ATOM 0 HB2 ASN A 26 0.249 -33.026 -4.144 1.00 54.02 H new ATOM 0 HB3 ASN A 26 -0.031 -33.812 -2.603 1.00 54.02 H new ATOM 0 HD21 ASN A 26 3.088 -32.234 -1.210 1.00 11.31 H new ATOM 0 HD22 ASN A 26 2.546 -33.888 -1.515 1.00 11.31 H new ATOM 429 N GLU A 27 1.076 -35.211 -6.076 1.00 32.14 N ATOM 430 CA GLU A 27 0.396 -35.888 -7.174 1.00 23.11 C ATOM 431 C GLU A 27 1.177 -37.121 -7.619 1.00 62.23 C ATOM 432 O GLU A 27 0.983 -37.627 -8.726 1.00 2.23 O ATOM 433 CB GLU A 27 0.212 -34.933 -8.355 1.00 63.22 C ATOM 434 CG GLU A 27 -0.660 -33.731 -8.036 1.00 3.43 C ATOM 435 CD GLU A 27 -1.269 -33.106 -9.276 1.00 2.43 C ATOM 436 OE1 GLU A 27 -0.501 -32.656 -10.152 1.00 75.02 O ATOM 437 OE2 GLU A 27 -2.514 -33.067 -9.369 1.00 44.43 O ATOM 0 H GLU A 27 1.787 -34.541 -6.369 1.00 32.14 H new ATOM 0 HA GLU A 27 -0.584 -36.208 -6.819 1.00 23.11 H new ATOM 0 HB2 GLU A 27 1.191 -34.584 -8.685 1.00 63.22 H new ATOM 0 HB3 GLU A 27 -0.229 -35.480 -9.188 1.00 63.22 H new ATOM 0 HG2 GLU A 27 -1.457 -34.035 -7.358 1.00 3.43 H new ATOM 0 HG3 GLU A 27 -0.064 -32.983 -7.512 1.00 3.43 H new ATOM 444 N LEU A 28 2.061 -37.600 -6.751 1.00 11.13 N ATOM 445 CA LEU A 28 2.873 -38.774 -7.053 1.00 54.34 C ATOM 446 C LEU A 28 2.037 -40.048 -6.978 1.00 2.31 C ATOM 447 O LEU A 28 2.342 -41.042 -7.637 1.00 1.24 O ATOM 448 CB LEU A 28 4.053 -38.866 -6.084 1.00 54.24 C ATOM 449 CG LEU A 28 5.022 -40.025 -6.316 1.00 65.11 C ATOM 450 CD1 LEU A 28 4.485 -41.304 -5.693 1.00 14.33 C ATOM 451 CD2 LEU A 28 5.275 -40.220 -7.804 1.00 72.10 C ATOM 0 H LEU A 28 2.234 -37.193 -5.832 1.00 11.13 H new ATOM 0 HA LEU A 28 3.253 -38.671 -8.069 1.00 54.34 H new ATOM 0 HB2 LEU A 28 4.614 -37.933 -6.137 1.00 54.24 H new ATOM 0 HB3 LEU A 28 3.660 -38.945 -5.070 1.00 54.24 H new ATOM 0 HG LEU A 28 5.970 -39.782 -5.836 1.00 65.11 H new ATOM 0 HD11 LEU A 28 5.189 -42.118 -5.869 1.00 14.33 H new ATOM 0 HD12 LEU A 28 4.357 -41.160 -4.620 1.00 14.33 H new ATOM 0 HD13 LEU A 28 3.524 -41.552 -6.143 1.00 14.33 H new ATOM 0 HD21 LEU A 28 5.967 -41.049 -7.950 1.00 72.10 H new ATOM 0 HD22 LEU A 28 4.334 -40.440 -8.307 1.00 72.10 H new ATOM 0 HD23 LEU A 28 5.706 -39.310 -8.222 1.00 72.10 H new ATOM 463 N SER A 29 0.981 -40.010 -6.172 1.00 11.41 N ATOM 464 CA SER A 29 0.102 -41.162 -6.009 1.00 12.40 C ATOM 465 C SER A 29 -1.260 -40.899 -6.644 1.00 74.51 C ATOM 466 O SER A 29 -2.254 -41.534 -6.290 1.00 42.11 O ATOM 467 CB SER A 29 -0.070 -41.493 -4.525 1.00 61.03 C ATOM 468 OG SER A 29 -0.910 -42.620 -4.349 1.00 30.45 O ATOM 0 H SER A 29 0.713 -39.194 -5.622 1.00 11.41 H new ATOM 0 HA SER A 29 0.561 -42.013 -6.513 1.00 12.40 H new ATOM 0 HB2 SER A 29 0.904 -41.688 -4.077 1.00 61.03 H new ATOM 0 HB3 SER A 29 -0.494 -40.634 -4.004 1.00 61.03 H new ATOM 0 HG SER A 29 -1.693 -42.539 -4.933 1.00 30.45 H new ATOM 474 N GLN A 30 -1.297 -39.960 -7.584 1.00 33.32 N ATOM 475 CA GLN A 30 -2.537 -39.613 -8.268 1.00 72.31 C ATOM 476 C GLN A 30 -2.426 -39.881 -9.765 1.00 70.44 C ATOM 477 O GLN A 30 -3.434 -39.953 -10.470 1.00 65.54 O ATOM 478 CB GLN A 30 -2.884 -38.143 -8.026 1.00 32.45 C ATOM 479 CG GLN A 30 -3.793 -37.923 -6.827 1.00 3.41 C ATOM 480 CD GLN A 30 -3.020 -37.659 -5.550 1.00 0.43 C ATOM 481 OE1 GLN A 30 -2.530 -36.552 -5.324 1.00 50.44 O ATOM 482 NE2 GLN A 30 -2.907 -38.677 -4.705 1.00 2.33 N ATOM 0 H GLN A 30 -0.483 -39.426 -7.889 1.00 33.32 H new ATOM 0 HA GLN A 30 -3.333 -40.238 -7.863 1.00 72.31 H new ATOM 0 HB2 GLN A 30 -1.962 -37.580 -7.881 1.00 32.45 H new ATOM 0 HB3 GLN A 30 -3.367 -37.741 -8.917 1.00 32.45 H new ATOM 0 HG2 GLN A 30 -4.455 -37.081 -7.027 1.00 3.41 H new ATOM 0 HG3 GLN A 30 -4.426 -38.800 -6.690 1.00 3.41 H new ATOM 0 HE21 GLN A 30 -3.329 -39.578 -4.932 1.00 2.33 H new ATOM 0 HE22 GLN A 30 -2.398 -38.558 -3.829 1.00 2.33 H new ATOM 491 N LEU A 31 -1.196 -40.028 -10.245 1.00 50.23 N ATOM 492 CA LEU A 31 -0.953 -40.288 -11.660 1.00 4.20 C ATOM 493 C LEU A 31 0.109 -41.368 -11.840 1.00 71.23 C ATOM 494 O LEU A 31 0.927 -41.623 -10.956 1.00 41.23 O ATOM 495 CB LEU A 31 -0.515 -39.004 -12.367 1.00 10.22 C ATOM 496 CG LEU A 31 -0.983 -37.694 -11.731 1.00 34.52 C ATOM 497 CD1 LEU A 31 -0.305 -36.506 -12.394 1.00 61.13 C ATOM 498 CD2 LEU A 31 -2.497 -37.567 -11.825 1.00 21.54 C ATOM 0 H LEU A 31 -0.352 -39.972 -9.676 1.00 50.23 H new ATOM 0 HA LEU A 31 -1.884 -40.641 -12.104 1.00 4.20 H new ATOM 0 HB2 LEU A 31 0.574 -38.993 -12.415 1.00 10.22 H new ATOM 0 HB3 LEU A 31 -0.879 -39.036 -13.394 1.00 10.22 H new ATOM 0 HG LEU A 31 -0.703 -37.704 -10.678 1.00 34.52 H new ATOM 0 HD11 LEU A 31 -0.651 -35.583 -11.928 1.00 61.13 H new ATOM 0 HD12 LEU A 31 0.775 -36.590 -12.275 1.00 61.13 H new ATOM 0 HD13 LEU A 31 -0.553 -36.491 -13.455 1.00 61.13 H new ATOM 0 HD21 LEU A 31 -2.813 -36.629 -11.368 1.00 21.54 H new ATOM 0 HD22 LEU A 31 -2.799 -37.580 -12.872 1.00 21.54 H new ATOM 0 HD23 LEU A 31 -2.965 -38.401 -11.302 1.00 21.54 H new ATOM 510 N PRO A 32 0.099 -42.018 -13.013 1.00 75.45 N ATOM 511 CA PRO A 32 1.056 -43.080 -13.339 1.00 12.13 C ATOM 512 C PRO A 32 2.470 -42.545 -13.536 1.00 51.32 C ATOM 513 O PRO A 32 2.697 -41.337 -13.618 1.00 32.44 O ATOM 514 CB PRO A 32 0.514 -43.656 -14.649 1.00 63.42 C ATOM 515 CG PRO A 32 -0.263 -42.542 -15.261 1.00 21.32 C ATOM 516 CD PRO A 32 -0.848 -41.767 -14.113 1.00 51.10 C ATOM 0 HA PRO A 32 1.139 -43.814 -12.538 1.00 12.13 H new ATOM 0 HB2 PRO A 32 1.323 -43.980 -15.303 1.00 63.42 H new ATOM 0 HB3 PRO A 32 -0.117 -44.526 -14.468 1.00 63.42 H new ATOM 0 HG2 PRO A 32 0.379 -41.908 -15.873 1.00 21.32 H new ATOM 0 HG3 PRO A 32 -1.048 -42.925 -15.913 1.00 21.32 H new ATOM 0 HD2 PRO A 32 -0.924 -40.704 -14.343 1.00 51.10 H new ATOM 0 HD3 PRO A 32 -1.852 -42.112 -13.865 1.00 51.10 H new ATOM 524 N PRO A 33 3.445 -43.462 -13.616 1.00 30.31 N ATOM 525 CA PRO A 33 4.854 -43.105 -13.806 1.00 21.50 C ATOM 526 C PRO A 33 5.129 -42.550 -15.199 1.00 75.24 C ATOM 527 O PRO A 33 6.203 -42.012 -15.462 1.00 4.35 O ATOM 528 CB PRO A 33 5.587 -44.435 -13.606 1.00 54.42 C ATOM 529 CG PRO A 33 4.579 -45.478 -13.946 1.00 55.53 C ATOM 530 CD PRO A 33 3.247 -44.919 -13.527 1.00 50.30 C ATOM 0 HA PRO A 33 5.171 -42.320 -13.120 1.00 21.50 H new ATOM 0 HB2 PRO A 33 6.463 -44.505 -14.251 1.00 54.42 H new ATOM 0 HB3 PRO A 33 5.938 -44.543 -12.580 1.00 54.42 H new ATOM 0 HG2 PRO A 33 4.591 -45.699 -15.013 1.00 55.53 H new ATOM 0 HG3 PRO A 33 4.792 -46.411 -13.425 1.00 55.53 H new ATOM 0 HD2 PRO A 33 2.445 -45.256 -14.184 1.00 50.30 H new ATOM 0 HD3 PRO A 33 2.982 -45.227 -12.516 1.00 50.30 H new ATOM 538 N GLU A 34 4.150 -42.685 -16.089 1.00 14.24 N ATOM 539 CA GLU A 34 4.288 -42.196 -17.455 1.00 74.15 C ATOM 540 C GLU A 34 3.775 -40.764 -17.576 1.00 13.14 C ATOM 541 O GLU A 34 3.554 -40.262 -18.677 1.00 65.11 O ATOM 542 CB GLU A 34 3.528 -43.104 -18.425 1.00 30.44 C ATOM 543 CG GLU A 34 2.019 -42.945 -18.352 1.00 33.22 C ATOM 544 CD GLU A 34 1.278 -44.137 -18.927 1.00 50.32 C ATOM 545 OE1 GLU A 34 1.522 -44.476 -20.104 1.00 14.20 O ATOM 546 OE2 GLU A 34 0.454 -44.730 -18.200 1.00 25.34 O ATOM 0 H GLU A 34 3.254 -43.129 -15.888 1.00 14.24 H new ATOM 0 HA GLU A 34 5.347 -42.207 -17.711 1.00 74.15 H new ATOM 0 HB2 GLU A 34 3.858 -42.892 -19.442 1.00 30.44 H new ATOM 0 HB3 GLU A 34 3.786 -44.142 -18.216 1.00 30.44 H new ATOM 0 HG2 GLU A 34 1.722 -42.804 -17.313 1.00 33.22 H new ATOM 0 HG3 GLU A 34 1.726 -42.045 -18.892 1.00 33.22 H new ATOM 553 N GLY A 35 3.586 -40.111 -16.433 1.00 20.14 N ATOM 554 CA GLY A 35 3.100 -38.744 -16.431 1.00 11.32 C ATOM 555 C GLY A 35 4.092 -37.777 -15.816 1.00 12.52 C ATOM 556 O GLY A 35 3.979 -36.564 -15.994 1.00 41.54 O ATOM 0 H GLY A 35 3.761 -40.505 -15.508 1.00 20.14 H new ATOM 0 HA2 GLY A 35 2.885 -38.437 -17.454 1.00 11.32 H new ATOM 0 HA3 GLY A 35 2.161 -38.696 -15.879 1.00 11.32 H new ATOM 560 N TYR A 36 5.065 -38.313 -15.088 1.00 41.02 N ATOM 561 CA TYR A 36 6.079 -37.489 -14.441 1.00 13.41 C ATOM 562 C TYR A 36 7.294 -37.308 -15.346 1.00 33.32 C ATOM 563 O TYR A 36 7.977 -36.286 -15.291 1.00 3.10 O ATOM 564 CB TYR A 36 6.506 -38.117 -13.114 1.00 21.34 C ATOM 565 CG TYR A 36 5.345 -38.527 -12.236 1.00 1.42 C ATOM 566 CD1 TYR A 36 4.326 -37.631 -11.936 1.00 1.42 C ATOM 567 CD2 TYR A 36 5.267 -39.808 -11.706 1.00 23.35 C ATOM 568 CE1 TYR A 36 3.264 -38.000 -11.134 1.00 14.33 C ATOM 569 CE2 TYR A 36 4.208 -40.187 -10.904 1.00 11.42 C ATOM 570 CZ TYR A 36 3.209 -39.279 -10.621 1.00 12.25 C ATOM 571 OH TYR A 36 2.153 -39.651 -9.821 1.00 75.40 O ATOM 0 H TYR A 36 5.173 -39.315 -14.931 1.00 41.02 H new ATOM 0 HA TYR A 36 5.644 -36.508 -14.248 1.00 13.41 H new ATOM 0 HB2 TYR A 36 7.123 -38.992 -13.318 1.00 21.34 H new ATOM 0 HB3 TYR A 36 7.129 -37.407 -12.570 1.00 21.34 H new ATOM 0 HD1 TYR A 36 4.365 -36.629 -12.337 1.00 1.42 H new ATOM 0 HD2 TYR A 36 6.048 -40.521 -11.925 1.00 23.35 H new ATOM 0 HE1 TYR A 36 2.481 -37.291 -10.910 1.00 14.33 H new ATOM 0 HE2 TYR A 36 4.163 -41.188 -10.501 1.00 11.42 H new ATOM 0 HH TYR A 36 1.804 -40.516 -10.121 1.00 75.40 H new ATOM 581 N VAL A 37 7.556 -38.310 -16.179 1.00 43.04 N ATOM 582 CA VAL A 37 8.687 -38.263 -17.098 1.00 63.24 C ATOM 583 C VAL A 37 8.675 -36.979 -17.920 1.00 4.35 C ATOM 584 O VAL A 37 9.725 -36.402 -18.205 1.00 72.14 O ATOM 585 CB VAL A 37 8.684 -39.471 -18.054 1.00 52.25 C ATOM 586 CG1 VAL A 37 7.358 -39.562 -18.795 1.00 44.11 C ATOM 587 CG2 VAL A 37 9.845 -39.379 -19.033 1.00 3.34 C ATOM 0 H VAL A 37 7.001 -39.164 -16.236 1.00 43.04 H new ATOM 0 HA VAL A 37 9.591 -38.293 -16.489 1.00 63.24 H new ATOM 0 HB VAL A 37 8.807 -40.379 -17.464 1.00 52.25 H new ATOM 0 HG11 VAL A 37 7.374 -40.421 -19.466 1.00 44.11 H new ATOM 0 HG12 VAL A 37 6.547 -39.678 -18.076 1.00 44.11 H new ATOM 0 HG13 VAL A 37 7.202 -38.652 -19.375 1.00 44.11 H new ATOM 0 HG21 VAL A 37 9.827 -40.240 -19.701 1.00 3.34 H new ATOM 0 HG22 VAL A 37 9.755 -38.464 -19.619 1.00 3.34 H new ATOM 0 HG23 VAL A 37 10.785 -39.366 -18.482 1.00 3.34 H new ATOM 597 N VAL A 38 7.480 -36.535 -18.296 1.00 44.32 N ATOM 598 CA VAL A 38 7.331 -35.317 -19.084 1.00 12.34 C ATOM 599 C VAL A 38 7.455 -34.076 -18.206 1.00 71.30 C ATOM 600 O VAL A 38 7.805 -32.997 -18.684 1.00 20.03 O ATOM 601 CB VAL A 38 5.974 -35.283 -19.813 1.00 4.34 C ATOM 602 CG1 VAL A 38 5.914 -34.105 -20.773 1.00 73.03 C ATOM 603 CG2 VAL A 38 5.731 -36.593 -20.546 1.00 44.03 C ATOM 0 H VAL A 38 6.601 -37.000 -18.068 1.00 44.32 H new ATOM 0 HA VAL A 38 8.132 -35.318 -19.823 1.00 12.34 H new ATOM 0 HB VAL A 38 5.185 -35.157 -19.072 1.00 4.34 H new ATOM 0 HG11 VAL A 38 4.949 -34.097 -21.279 1.00 73.03 H new ATOM 0 HG12 VAL A 38 6.040 -33.176 -20.217 1.00 73.03 H new ATOM 0 HG13 VAL A 38 6.710 -34.197 -21.512 1.00 73.03 H new ATOM 0 HG21 VAL A 38 4.768 -36.552 -21.055 1.00 44.03 H new ATOM 0 HG22 VAL A 38 6.522 -36.752 -21.278 1.00 44.03 H new ATOM 0 HG23 VAL A 38 5.728 -37.415 -19.830 1.00 44.03 H new ATOM 613 N VAL A 39 7.166 -34.238 -16.919 1.00 11.54 N ATOM 614 CA VAL A 39 7.247 -33.131 -15.973 1.00 33.15 C ATOM 615 C VAL A 39 8.688 -32.878 -15.544 1.00 72.14 C ATOM 616 O VAL A 39 9.065 -31.749 -15.232 1.00 50.40 O ATOM 617 CB VAL A 39 6.390 -33.399 -14.721 1.00 24.43 C ATOM 618 CG1 VAL A 39 6.427 -32.203 -13.782 1.00 70.00 C ATOM 619 CG2 VAL A 39 4.960 -33.734 -15.116 1.00 11.12 C ATOM 0 H VAL A 39 6.874 -35.124 -16.507 1.00 11.54 H new ATOM 0 HA VAL A 39 6.864 -32.249 -16.485 1.00 33.15 H new ATOM 0 HB VAL A 39 6.807 -34.257 -14.194 1.00 24.43 H new ATOM 0 HG11 VAL A 39 5.816 -32.411 -12.904 1.00 70.00 H new ATOM 0 HG12 VAL A 39 7.455 -32.015 -13.473 1.00 70.00 H new ATOM 0 HG13 VAL A 39 6.036 -31.325 -14.296 1.00 70.00 H new ATOM 0 HG21 VAL A 39 4.369 -33.920 -14.219 1.00 11.12 H new ATOM 0 HG22 VAL A 39 4.529 -32.898 -15.667 1.00 11.12 H new ATOM 0 HG23 VAL A 39 4.955 -34.624 -15.745 1.00 11.12 H new ATOM 629 N VAL A 40 9.491 -33.938 -15.533 1.00 15.44 N ATOM 630 CA VAL A 40 10.892 -33.831 -15.144 1.00 52.23 C ATOM 631 C VAL A 40 11.595 -32.725 -15.923 1.00 62.24 C ATOM 632 O VAL A 40 12.540 -32.108 -15.432 1.00 1.15 O ATOM 633 CB VAL A 40 11.640 -35.158 -15.370 1.00 74.30 C ATOM 634 CG1 VAL A 40 13.069 -35.060 -14.859 1.00 12.02 C ATOM 635 CG2 VAL A 40 10.902 -36.306 -14.697 1.00 53.03 C ATOM 0 H VAL A 40 9.195 -34.880 -15.789 1.00 15.44 H new ATOM 0 HA VAL A 40 10.908 -33.590 -14.081 1.00 52.23 H new ATOM 0 HB VAL A 40 11.676 -35.357 -16.441 1.00 74.30 H new ATOM 0 HG11 VAL A 40 13.581 -36.007 -15.027 1.00 12.02 H new ATOM 0 HG12 VAL A 40 13.592 -34.265 -15.391 1.00 12.02 H new ATOM 0 HG13 VAL A 40 13.059 -34.837 -13.792 1.00 12.02 H new ATOM 0 HG21 VAL A 40 11.444 -37.236 -14.867 1.00 53.03 H new ATOM 0 HG22 VAL A 40 10.833 -36.116 -13.626 1.00 53.03 H new ATOM 0 HG23 VAL A 40 9.899 -36.389 -15.116 1.00 53.03 H new ATOM 645 N LYS A 41 11.128 -32.479 -17.143 1.00 10.13 N ATOM 646 CA LYS A 41 11.710 -31.446 -17.991 1.00 71.14 C ATOM 647 C LYS A 41 11.362 -30.055 -17.471 1.00 43.25 C ATOM 648 O LYS A 41 12.243 -29.220 -17.270 1.00 12.25 O ATOM 649 CB LYS A 41 11.216 -31.602 -19.431 1.00 72.14 C ATOM 650 CG LYS A 41 12.336 -31.670 -20.455 1.00 1.01 C ATOM 651 CD LYS A 41 12.688 -33.107 -20.802 1.00 2.13 C ATOM 652 CE LYS A 41 13.152 -33.879 -19.576 1.00 0.52 C ATOM 653 NZ LYS A 41 14.103 -34.967 -19.933 1.00 20.41 N ATOM 0 H LYS A 41 10.348 -32.982 -17.566 1.00 10.13 H new ATOM 0 HA LYS A 41 12.794 -31.562 -17.970 1.00 71.14 H new ATOM 0 HB2 LYS A 41 10.614 -32.508 -19.503 1.00 72.14 H new ATOM 0 HB3 LYS A 41 10.563 -30.764 -19.675 1.00 72.14 H new ATOM 0 HG2 LYS A 41 12.037 -31.139 -21.359 1.00 1.01 H new ATOM 0 HG3 LYS A 41 13.218 -31.162 -20.065 1.00 1.01 H new ATOM 0 HD2 LYS A 41 11.819 -33.601 -21.237 1.00 2.13 H new ATOM 0 HD3 LYS A 41 13.473 -33.118 -21.559 1.00 2.13 H new ATOM 0 HE2 LYS A 41 13.630 -33.194 -18.875 1.00 0.52 H new ATOM 0 HE3 LYS A 41 12.288 -34.305 -19.066 1.00 0.52 H new ATOM 0 HZ1 LYS A 41 14.396 -35.469 -19.071 1.00 20.41 H new ATOM 0 HZ2 LYS A 41 13.639 -35.634 -20.582 1.00 20.41 H new ATOM 0 HZ3 LYS A 41 14.940 -34.559 -20.396 1.00 20.41 H new ATOM 667 N ASN A 42 10.073 -29.814 -17.256 1.00 2.34 N ATOM 668 CA ASN A 42 9.610 -28.524 -16.758 1.00 11.41 C ATOM 669 C ASN A 42 10.076 -28.295 -15.323 1.00 40.43 C ATOM 670 O ASN A 42 10.163 -27.157 -14.862 1.00 3.25 O ATOM 671 CB ASN A 42 8.084 -28.444 -16.829 1.00 34.42 C ATOM 672 CG ASN A 42 7.530 -29.080 -18.089 1.00 54.15 C ATOM 673 OD1 ASN A 42 8.152 -29.025 -19.151 1.00 15.25 O ATOM 674 ND2 ASN A 42 6.354 -29.687 -17.978 1.00 60.42 N ATOM 0 H ASN A 42 9.331 -30.495 -17.419 1.00 2.34 H new ATOM 0 HA ASN A 42 10.038 -27.745 -17.389 1.00 11.41 H new ATOM 0 HB2 ASN A 42 7.656 -28.939 -15.957 1.00 34.42 H new ATOM 0 HB3 ASN A 42 7.775 -27.400 -16.786 1.00 34.42 H new ATOM 0 HD21 ASN A 42 5.931 -30.132 -18.792 1.00 60.42 H new ATOM 0 HD22 ASN A 42 5.874 -29.708 -17.078 1.00 60.42 H new ATOM 681 N VAL A 43 10.375 -29.384 -14.623 1.00 20.20 N ATOM 682 CA VAL A 43 10.834 -29.303 -13.242 1.00 1.15 C ATOM 683 C VAL A 43 12.347 -29.125 -13.175 1.00 13.44 C ATOM 684 O VAL A 43 12.876 -28.583 -12.205 1.00 42.13 O ATOM 685 CB VAL A 43 10.441 -30.561 -12.444 1.00 53.25 C ATOM 686 CG1 VAL A 43 10.983 -30.485 -11.025 1.00 72.13 C ATOM 687 CG2 VAL A 43 8.930 -30.736 -12.438 1.00 73.12 C ATOM 0 H VAL A 43 10.308 -30.333 -14.990 1.00 20.20 H new ATOM 0 HA VAL A 43 10.348 -28.434 -12.798 1.00 1.15 H new ATOM 0 HB VAL A 43 10.883 -31.431 -12.929 1.00 53.25 H new ATOM 0 HG11 VAL A 43 10.695 -31.382 -10.477 1.00 72.13 H new ATOM 0 HG12 VAL A 43 12.070 -30.411 -11.054 1.00 72.13 H new ATOM 0 HG13 VAL A 43 10.573 -29.607 -10.525 1.00 72.13 H new ATOM 0 HG21 VAL A 43 8.669 -31.629 -11.870 1.00 73.12 H new ATOM 0 HG22 VAL A 43 8.465 -29.865 -11.977 1.00 73.12 H new ATOM 0 HG23 VAL A 43 8.572 -30.840 -13.462 1.00 73.12 H new ATOM 697 N GLY A 44 13.038 -29.584 -14.213 1.00 70.43 N ATOM 698 CA GLY A 44 14.484 -29.466 -14.253 1.00 52.01 C ATOM 699 C GLY A 44 14.952 -28.403 -15.227 1.00 51.10 C ATOM 700 O GLY A 44 16.153 -28.223 -15.431 1.00 62.13 O ATOM 0 H GLY A 44 12.622 -30.036 -15.028 1.00 70.43 H new ATOM 0 HA2 GLY A 44 14.854 -29.229 -13.256 1.00 52.01 H new ATOM 0 HA3 GLY A 44 14.916 -30.427 -14.533 1.00 52.01 H new ATOM 704 N LEU A 45 14.002 -27.697 -15.831 1.00 64.33 N ATOM 705 CA LEU A 45 14.324 -26.647 -16.791 1.00 54.23 C ATOM 706 C LEU A 45 14.433 -25.292 -16.099 1.00 54.24 C ATOM 707 O LEU A 45 15.071 -24.371 -16.610 1.00 51.31 O ATOM 708 CB LEU A 45 13.259 -26.588 -17.888 1.00 70.11 C ATOM 709 CG LEU A 45 13.538 -27.421 -19.140 1.00 20.14 C ATOM 710 CD1 LEU A 45 12.268 -27.597 -19.958 1.00 21.44 C ATOM 711 CD2 LEU A 45 14.630 -26.773 -19.979 1.00 74.20 C ATOM 0 H LEU A 45 13.003 -27.833 -15.673 1.00 64.33 H new ATOM 0 HA LEU A 45 15.288 -26.883 -17.241 1.00 54.23 H new ATOM 0 HB2 LEU A 45 12.310 -26.914 -17.463 1.00 70.11 H new ATOM 0 HB3 LEU A 45 13.133 -25.548 -18.189 1.00 70.11 H new ATOM 0 HG LEU A 45 13.884 -28.406 -18.828 1.00 20.14 H new ATOM 0 HD11 LEU A 45 12.486 -28.192 -20.845 1.00 21.44 H new ATOM 0 HD12 LEU A 45 11.515 -28.105 -19.356 1.00 21.44 H new ATOM 0 HD13 LEU A 45 11.892 -26.620 -20.260 1.00 21.44 H new ATOM 0 HD21 LEU A 45 14.816 -27.379 -20.866 1.00 74.20 H new ATOM 0 HD22 LEU A 45 14.313 -25.775 -20.281 1.00 74.20 H new ATOM 0 HD23 LEU A 45 15.545 -26.700 -19.391 1.00 74.20 H new ATOM 723 N THR A 46 13.807 -25.177 -14.932 1.00 53.11 N ATOM 724 CA THR A 46 13.834 -23.935 -14.169 1.00 71.52 C ATOM 725 C THR A 46 15.063 -23.870 -13.270 1.00 10.41 C ATOM 726 O THR A 46 15.677 -22.813 -13.116 1.00 54.31 O ATOM 727 CB THR A 46 12.569 -23.780 -13.303 1.00 64.34 C ATOM 728 OG1 THR A 46 11.439 -24.337 -13.983 1.00 71.50 O ATOM 729 CG2 THR A 46 12.306 -22.316 -12.987 1.00 43.33 C ATOM 0 H THR A 46 13.275 -25.929 -14.494 1.00 53.11 H new ATOM 0 HA THR A 46 13.872 -23.120 -14.892 1.00 71.52 H new ATOM 0 HB THR A 46 12.729 -24.314 -12.366 1.00 64.34 H new ATOM 0 HG1 THR A 46 10.639 -24.236 -13.425 1.00 71.50 H new ATOM 0 HG21 THR A 46 11.408 -22.232 -12.375 1.00 43.33 H new ATOM 0 HG22 THR A 46 13.156 -21.903 -12.444 1.00 43.33 H new ATOM 0 HG23 THR A 46 12.165 -21.763 -13.916 1.00 43.33 H new ATOM 737 N LEU A 47 15.418 -25.004 -12.678 1.00 25.41 N ATOM 738 CA LEU A 47 16.576 -25.076 -11.793 1.00 44.14 C ATOM 739 C LEU A 47 17.875 -24.981 -12.588 1.00 1.23 C ATOM 740 O LEU A 47 18.946 -24.763 -12.021 1.00 42.12 O ATOM 741 CB LEU A 47 16.550 -26.378 -10.991 1.00 2.12 C ATOM 742 CG LEU A 47 17.583 -27.433 -11.389 1.00 41.30 C ATOM 743 CD1 LEU A 47 17.558 -28.599 -10.414 1.00 20.33 C ATOM 744 CD2 LEU A 47 17.331 -27.917 -12.809 1.00 74.03 C ATOM 0 H LEU A 47 14.921 -25.887 -12.794 1.00 25.41 H new ATOM 0 HA LEU A 47 16.530 -24.232 -11.105 1.00 44.14 H new ATOM 0 HB2 LEU A 47 16.695 -26.136 -9.938 1.00 2.12 H new ATOM 0 HB3 LEU A 47 15.557 -26.818 -11.083 1.00 2.12 H new ATOM 0 HG LEU A 47 18.572 -26.977 -11.352 1.00 41.30 H new ATOM 0 HD11 LEU A 47 18.300 -29.340 -10.713 1.00 20.33 H new ATOM 0 HD12 LEU A 47 17.788 -28.240 -9.411 1.00 20.33 H new ATOM 0 HD13 LEU A 47 16.568 -29.055 -10.417 1.00 20.33 H new ATOM 0 HD21 LEU A 47 18.076 -28.667 -13.075 1.00 74.03 H new ATOM 0 HD22 LEU A 47 16.335 -28.356 -12.873 1.00 74.03 H new ATOM 0 HD23 LEU A 47 17.402 -27.075 -13.498 1.00 74.03 H new ATOM 756 N ARG A 48 17.772 -25.144 -13.903 1.00 13.24 N ATOM 757 CA ARG A 48 18.938 -25.075 -14.775 1.00 32.30 C ATOM 758 C ARG A 48 19.051 -23.699 -15.424 1.00 70.13 C ATOM 759 O ARG A 48 20.125 -23.299 -15.874 1.00 50.10 O ATOM 760 CB ARG A 48 18.857 -26.156 -15.855 1.00 44.41 C ATOM 761 CG ARG A 48 17.844 -25.851 -16.947 1.00 23.34 C ATOM 762 CD ARG A 48 17.862 -26.914 -18.035 1.00 13.54 C ATOM 763 NE ARG A 48 19.216 -27.198 -18.500 1.00 64.20 N ATOM 764 CZ ARG A 48 19.545 -28.289 -19.183 1.00 31.10 C ATOM 765 NH1 ARG A 48 18.621 -29.193 -19.479 1.00 22.22 N ATOM 766 NH2 ARG A 48 20.799 -28.477 -19.572 1.00 24.30 N ATOM 0 H ARG A 48 16.893 -25.325 -14.388 1.00 13.24 H new ATOM 0 HA ARG A 48 19.827 -25.244 -14.167 1.00 32.30 H new ATOM 0 HB2 ARG A 48 19.841 -26.280 -16.308 1.00 44.41 H new ATOM 0 HB3 ARG A 48 18.600 -27.106 -15.387 1.00 44.41 H new ATOM 0 HG2 ARG A 48 16.846 -25.790 -16.513 1.00 23.34 H new ATOM 0 HG3 ARG A 48 18.061 -24.877 -17.385 1.00 23.34 H new ATOM 0 HD2 ARG A 48 17.410 -27.830 -17.654 1.00 13.54 H new ATOM 0 HD3 ARG A 48 17.252 -26.583 -18.875 1.00 13.54 H new ATOM 0 HE ARG A 48 19.950 -26.522 -18.289 1.00 64.20 H new ATOM 0 HH11 ARG A 48 17.655 -29.051 -19.182 1.00 22.22 H new ATOM 0 HH12 ARG A 48 18.876 -30.030 -20.003 1.00 22.22 H new ATOM 0 HH21 ARG A 48 21.512 -27.783 -19.347 1.00 24.30 H new ATOM 0 HH22 ARG A 48 21.050 -29.315 -20.096 1.00 24.30 H new ATOM 780 N LYS A 49 17.935 -22.979 -15.470 1.00 43.14 N ATOM 781 CA LYS A 49 17.908 -21.647 -16.064 1.00 33.24 C ATOM 782 C LYS A 49 18.357 -20.593 -15.056 1.00 72.53 C ATOM 783 O LYS A 49 19.069 -19.651 -15.405 1.00 12.44 O ATOM 784 CB LYS A 49 16.500 -21.320 -16.567 1.00 0.21 C ATOM 785 CG LYS A 49 16.453 -20.130 -17.510 1.00 72.44 C ATOM 786 CD LYS A 49 15.119 -20.044 -18.233 1.00 33.33 C ATOM 787 CE LYS A 49 14.172 -19.075 -17.541 1.00 61.13 C ATOM 788 NZ LYS A 49 13.063 -18.647 -18.439 1.00 23.53 N ATOM 0 H LYS A 49 17.037 -23.295 -15.103 1.00 43.14 H new ATOM 0 HA LYS A 49 18.600 -21.637 -16.906 1.00 33.24 H new ATOM 0 HB2 LYS A 49 16.093 -22.193 -17.077 1.00 0.21 H new ATOM 0 HB3 LYS A 49 15.855 -21.121 -15.712 1.00 0.21 H new ATOM 0 HG2 LYS A 49 16.623 -19.212 -16.948 1.00 72.44 H new ATOM 0 HG3 LYS A 49 17.259 -20.211 -18.240 1.00 72.44 H new ATOM 0 HD2 LYS A 49 15.282 -19.723 -19.262 1.00 33.33 H new ATOM 0 HD3 LYS A 49 14.662 -21.033 -18.276 1.00 33.33 H new ATOM 0 HE2 LYS A 49 13.757 -19.547 -16.650 1.00 61.13 H new ATOM 0 HE3 LYS A 49 14.728 -18.199 -17.208 1.00 61.13 H new ATOM 0 HZ1 LYS A 49 12.440 -17.987 -17.931 1.00 23.53 H new ATOM 0 HZ2 LYS A 49 13.458 -18.174 -19.277 1.00 23.53 H new ATOM 0 HZ3 LYS A 49 12.516 -19.480 -18.737 1.00 23.53 H new ATOM 802 N LEU A 50 17.938 -20.760 -13.807 1.00 11.23 N ATOM 803 CA LEU A 50 18.299 -19.823 -12.748 1.00 34.42 C ATOM 804 C LEU A 50 19.800 -19.857 -12.479 1.00 34.20 C ATOM 805 O LEU A 50 20.380 -18.874 -12.017 1.00 35.11 O ATOM 806 CB LEU A 50 17.532 -20.153 -11.466 1.00 12.42 C ATOM 807 CG LEU A 50 18.133 -21.250 -10.587 1.00 3.21 C ATOM 808 CD1 LEU A 50 19.104 -20.654 -9.579 1.00 61.22 C ATOM 809 CD2 LEU A 50 17.034 -22.027 -9.877 1.00 3.33 C ATOM 0 H LEU A 50 17.348 -21.535 -13.502 1.00 11.23 H new ATOM 0 HA LEU A 50 18.031 -18.819 -13.077 1.00 34.42 H new ATOM 0 HB2 LEU A 50 17.450 -19.243 -10.871 1.00 12.42 H new ATOM 0 HB3 LEU A 50 16.519 -20.448 -11.739 1.00 12.42 H new ATOM 0 HG LEU A 50 18.683 -21.941 -11.226 1.00 3.21 H new ATOM 0 HD11 LEU A 50 19.522 -21.450 -8.962 1.00 61.22 H new ATOM 0 HD12 LEU A 50 19.909 -20.144 -10.107 1.00 61.22 H new ATOM 0 HD13 LEU A 50 18.578 -19.941 -8.944 1.00 61.22 H new ATOM 0 HD21 LEU A 50 17.480 -22.804 -9.256 1.00 3.33 H new ATOM 0 HD22 LEU A 50 16.456 -21.349 -9.250 1.00 3.33 H new ATOM 0 HD23 LEU A 50 16.377 -22.486 -10.616 1.00 3.33 H new ATOM 821 N ILE A 51 20.423 -20.993 -12.773 1.00 73.32 N ATOM 822 CA ILE A 51 21.857 -21.153 -12.566 1.00 74.33 C ATOM 823 C ILE A 51 22.645 -20.108 -13.348 1.00 71.11 C ATOM 824 O ILE A 51 23.734 -19.704 -12.942 1.00 34.32 O ATOM 825 CB ILE A 51 22.332 -22.557 -12.984 1.00 64.30 C ATOM 826 CG1 ILE A 51 21.770 -23.615 -12.032 1.00 12.42 C ATOM 827 CG2 ILE A 51 23.852 -22.615 -13.010 1.00 65.32 C ATOM 828 CD1 ILE A 51 21.838 -25.022 -12.583 1.00 3.41 C ATOM 0 H ILE A 51 19.957 -21.816 -13.155 1.00 73.32 H new ATOM 0 HA ILE A 51 22.039 -21.019 -11.500 1.00 74.33 H new ATOM 0 HB ILE A 51 21.962 -22.766 -13.988 1.00 64.30 H new ATOM 0 HG12 ILE A 51 22.320 -23.575 -11.092 1.00 12.42 H new ATOM 0 HG13 ILE A 51 20.732 -23.373 -11.805 1.00 12.42 H new ATOM 0 HG21 ILE A 51 24.173 -23.613 -13.307 1.00 65.32 H new ATOM 0 HG22 ILE A 51 24.232 -21.884 -13.724 1.00 65.32 H new ATOM 0 HG23 ILE A 51 24.242 -22.389 -12.017 1.00 65.32 H new ATOM 0 HD11 ILE A 51 21.422 -25.718 -11.855 1.00 3.41 H new ATOM 0 HD12 ILE A 51 21.264 -25.079 -13.508 1.00 3.41 H new ATOM 0 HD13 ILE A 51 22.877 -25.284 -12.784 1.00 3.41 H new ATOM 840 N GLY A 52 22.086 -19.672 -14.473 1.00 33.00 N ATOM 841 CA GLY A 52 22.749 -18.676 -15.294 1.00 2.14 C ATOM 842 C GLY A 52 22.574 -17.270 -14.754 1.00 74.14 C ATOM 843 O GLY A 52 23.198 -16.328 -15.243 1.00 30.25 O ATOM 0 H GLY A 52 21.185 -19.991 -14.830 1.00 33.00 H new ATOM 0 HA2 GLY A 52 23.812 -18.909 -15.355 1.00 2.14 H new ATOM 0 HA3 GLY A 52 22.354 -18.724 -16.309 1.00 2.14 H new ATOM 847 N SER A 53 21.720 -17.127 -13.746 1.00 30.24 N ATOM 848 CA SER A 53 21.460 -15.825 -13.143 1.00 75.03 C ATOM 849 C SER A 53 22.392 -15.577 -11.962 1.00 3.42 C ATOM 850 O SER A 53 22.739 -14.435 -11.659 1.00 14.25 O ATOM 851 CB SER A 53 20.003 -15.733 -12.685 1.00 74.54 C ATOM 852 OG SER A 53 19.828 -16.338 -11.416 1.00 21.03 O ATOM 0 H SER A 53 21.196 -17.897 -13.329 1.00 30.24 H new ATOM 0 HA SER A 53 21.646 -15.060 -13.897 1.00 75.03 H new ATOM 0 HB2 SER A 53 19.699 -14.687 -12.638 1.00 74.54 H new ATOM 0 HB3 SER A 53 19.357 -16.220 -13.416 1.00 74.54 H new ATOM 0 HG SER A 53 19.828 -17.313 -11.516 1.00 21.03 H new ATOM 858 N VAL A 54 22.796 -16.655 -11.298 1.00 31.14 N ATOM 859 CA VAL A 54 23.689 -16.556 -10.150 1.00 24.13 C ATOM 860 C VAL A 54 25.137 -16.806 -10.557 1.00 20.10 C ATOM 861 O VAL A 54 26.066 -16.295 -9.931 1.00 71.11 O ATOM 862 CB VAL A 54 23.298 -17.557 -9.046 1.00 0.51 C ATOM 863 CG1 VAL A 54 24.028 -17.235 -7.751 1.00 31.34 C ATOM 864 CG2 VAL A 54 21.792 -17.553 -8.834 1.00 13.22 C ATOM 0 H VAL A 54 22.519 -17.607 -11.536 1.00 31.14 H new ATOM 0 HA VAL A 54 23.593 -15.542 -9.761 1.00 24.13 H new ATOM 0 HB VAL A 54 23.595 -18.557 -9.363 1.00 0.51 H new ATOM 0 HG11 VAL A 54 23.739 -17.952 -6.983 1.00 31.34 H new ATOM 0 HG12 VAL A 54 25.104 -17.293 -7.916 1.00 31.34 H new ATOM 0 HG13 VAL A 54 23.764 -16.229 -7.425 1.00 31.34 H new ATOM 0 HG21 VAL A 54 21.533 -18.266 -8.051 1.00 13.22 H new ATOM 0 HG22 VAL A 54 21.469 -16.555 -8.538 1.00 13.22 H new ATOM 0 HG23 VAL A 54 21.293 -17.836 -9.761 1.00 13.22 H new ATOM 874 N ASP A 55 25.322 -17.595 -11.610 1.00 13.22 N ATOM 875 CA ASP A 55 26.657 -17.912 -12.103 1.00 20.03 C ATOM 876 C ASP A 55 27.297 -16.694 -12.762 1.00 15.12 C ATOM 877 O ASP A 55 28.493 -16.690 -13.054 1.00 35.02 O ATOM 878 CB ASP A 55 26.594 -19.072 -13.098 1.00 4.21 C ATOM 879 CG ASP A 55 27.968 -19.613 -13.443 1.00 33.41 C ATOM 880 OD1 ASP A 55 28.545 -20.341 -12.609 1.00 33.44 O ATOM 881 OD2 ASP A 55 28.466 -19.309 -14.547 1.00 51.40 O ATOM 0 H ASP A 55 24.564 -18.027 -12.139 1.00 13.22 H new ATOM 0 HA ASP A 55 27.271 -18.206 -11.252 1.00 20.03 H new ATOM 0 HB2 ASP A 55 25.986 -19.874 -12.679 1.00 4.21 H new ATOM 0 HB3 ASP A 55 26.098 -18.739 -14.010 1.00 4.21 H new ATOM 886 N ASP A 56 26.492 -15.663 -12.994 1.00 52.22 N ATOM 887 CA ASP A 56 26.979 -14.438 -13.619 1.00 71.50 C ATOM 888 C ASP A 56 27.710 -13.564 -12.605 1.00 30.43 C ATOM 889 O ASP A 56 28.574 -12.765 -12.967 1.00 11.41 O ATOM 890 CB ASP A 56 25.817 -13.660 -14.238 1.00 43.24 C ATOM 891 CG ASP A 56 26.251 -12.818 -15.422 1.00 52.15 C ATOM 892 OD1 ASP A 56 27.239 -12.066 -15.286 1.00 55.32 O ATOM 893 OD2 ASP A 56 25.603 -12.912 -16.486 1.00 12.04 O ATOM 0 H ASP A 56 25.500 -15.651 -12.759 1.00 52.22 H new ATOM 0 HA ASP A 56 27.681 -14.715 -14.406 1.00 71.50 H new ATOM 0 HB2 ASP A 56 25.044 -14.359 -14.557 1.00 43.24 H new ATOM 0 HB3 ASP A 56 25.371 -13.015 -13.481 1.00 43.24 H new ATOM 898 N LEU A 57 27.358 -13.721 -11.334 1.00 34.44 N ATOM 899 CA LEU A 57 27.979 -12.946 -10.266 1.00 5.21 C ATOM 900 C LEU A 57 29.098 -13.739 -9.598 1.00 1.55 C ATOM 901 O LEU A 57 29.754 -13.251 -8.676 1.00 33.35 O ATOM 902 CB LEU A 57 26.933 -12.542 -9.226 1.00 31.43 C ATOM 903 CG LEU A 57 26.114 -11.292 -9.548 1.00 1.25 C ATOM 904 CD1 LEU A 57 24.687 -11.668 -9.914 1.00 12.02 C ATOM 905 CD2 LEU A 57 26.128 -10.328 -8.370 1.00 41.43 C ATOM 0 H LEU A 57 26.645 -14.379 -11.018 1.00 34.44 H new ATOM 0 HA LEU A 57 28.409 -12.047 -10.707 1.00 5.21 H new ATOM 0 HB2 LEU A 57 26.246 -13.377 -9.088 1.00 31.43 H new ATOM 0 HB3 LEU A 57 27.439 -12.385 -8.273 1.00 31.43 H new ATOM 0 HG LEU A 57 26.568 -10.794 -10.405 1.00 1.25 H new ATOM 0 HD11 LEU A 57 24.119 -10.765 -10.140 1.00 12.02 H new ATOM 0 HD12 LEU A 57 24.695 -12.320 -10.788 1.00 12.02 H new ATOM 0 HD13 LEU A 57 24.222 -12.189 -9.077 1.00 12.02 H new ATOM 0 HD21 LEU A 57 25.540 -9.444 -8.616 1.00 41.43 H new ATOM 0 HD22 LEU A 57 25.699 -10.816 -7.495 1.00 41.43 H new ATOM 0 HD23 LEU A 57 27.155 -10.033 -8.154 1.00 41.43 H new ATOM 917 N LEU A 58 29.313 -14.962 -10.069 1.00 53.33 N ATOM 918 CA LEU A 58 30.354 -15.822 -9.519 1.00 63.10 C ATOM 919 C LEU A 58 31.678 -15.073 -9.410 1.00 45.13 C ATOM 920 O LEU A 58 32.253 -14.931 -8.331 1.00 12.04 O ATOM 921 CB LEU A 58 30.529 -17.066 -10.392 1.00 23.23 C ATOM 922 CG LEU A 58 30.299 -18.410 -9.699 1.00 11.20 C ATOM 923 CD1 LEU A 58 31.419 -18.701 -8.712 1.00 50.42 C ATOM 924 CD2 LEU A 58 28.949 -18.423 -8.996 1.00 4.22 C ATOM 0 H LEU A 58 28.780 -15.381 -10.831 1.00 53.33 H new ATOM 0 HA LEU A 58 30.047 -16.128 -8.519 1.00 63.10 H new ATOM 0 HB2 LEU A 58 29.843 -16.993 -11.236 1.00 23.23 H new ATOM 0 HB3 LEU A 58 31.539 -17.059 -10.801 1.00 23.23 H new ATOM 0 HG LEU A 58 30.299 -19.193 -10.457 1.00 11.20 H new ATOM 0 HD11 LEU A 58 31.238 -19.661 -8.229 1.00 50.42 H new ATOM 0 HD12 LEU A 58 32.371 -18.735 -9.242 1.00 50.42 H new ATOM 0 HD13 LEU A 58 31.452 -17.915 -7.957 1.00 50.42 H new ATOM 0 HD21 LEU A 58 28.802 -19.387 -8.508 1.00 4.22 H new ATOM 0 HD22 LEU A 58 28.920 -17.630 -8.249 1.00 4.22 H new ATOM 0 HD23 LEU A 58 28.157 -18.262 -9.727 1.00 4.22 H new ATOM 936 N PRO A 59 32.175 -14.579 -10.554 1.00 60.34 N ATOM 937 CA PRO A 59 33.436 -13.834 -10.614 1.00 14.55 C ATOM 938 C PRO A 59 33.330 -12.463 -9.954 1.00 11.13 C ATOM 939 O PRO A 59 34.331 -11.768 -9.780 1.00 21.35 O ATOM 940 CB PRO A 59 33.690 -13.686 -12.116 1.00 1.43 C ATOM 941 CG PRO A 59 32.339 -13.769 -12.739 1.00 4.43 C ATOM 942 CD PRO A 59 31.544 -14.711 -11.878 1.00 53.22 C ATOM 0 HA PRO A 59 34.238 -14.345 -10.081 1.00 14.55 H new ATOM 0 HB2 PRO A 59 34.173 -12.736 -12.344 1.00 1.43 H new ATOM 0 HB3 PRO A 59 34.346 -14.474 -12.486 1.00 1.43 H new ATOM 0 HG2 PRO A 59 31.868 -12.787 -12.782 1.00 4.43 H new ATOM 0 HG3 PRO A 59 32.403 -14.136 -13.763 1.00 4.43 H new ATOM 0 HD2 PRO A 59 30.490 -14.436 -11.850 1.00 53.22 H new ATOM 0 HD3 PRO A 59 31.597 -15.735 -12.248 1.00 53.22 H new ATOM 950 N SER A 60 32.111 -12.080 -9.588 1.00 53.31 N ATOM 951 CA SER A 60 31.874 -10.790 -8.950 1.00 60.00 C ATOM 952 C SER A 60 31.446 -10.973 -7.497 1.00 73.12 C ATOM 953 O SER A 60 30.662 -10.186 -6.965 1.00 3.24 O ATOM 954 CB SER A 60 30.804 -10.008 -9.714 1.00 41.23 C ATOM 955 OG SER A 60 31.300 -9.550 -10.960 1.00 52.14 O ATOM 0 H SER A 60 31.272 -12.644 -9.722 1.00 53.31 H new ATOM 0 HA SER A 60 32.807 -10.227 -8.968 1.00 60.00 H new ATOM 0 HB2 SER A 60 29.932 -10.642 -9.877 1.00 41.23 H new ATOM 0 HB3 SER A 60 30.473 -9.159 -9.116 1.00 41.23 H new ATOM 0 HG SER A 60 30.597 -9.055 -11.430 1.00 52.14 H new ATOM 961 N LEU A 61 31.965 -12.017 -6.861 1.00 60.53 N ATOM 962 CA LEU A 61 31.638 -12.306 -5.469 1.00 55.13 C ATOM 963 C LEU A 61 32.884 -12.246 -4.593 1.00 4.22 C ATOM 964 O LEU A 61 34.014 -12.361 -5.069 1.00 10.10 O ATOM 965 CB LEU A 61 30.985 -13.684 -5.353 1.00 73.44 C ATOM 966 CG LEU A 61 29.488 -13.746 -5.660 1.00 31.21 C ATOM 967 CD1 LEU A 61 29.094 -15.142 -6.116 1.00 35.55 C ATOM 968 CD2 LEU A 61 28.676 -13.332 -4.441 1.00 44.32 C ATOM 0 H LEU A 61 32.614 -12.678 -7.287 1.00 60.53 H new ATOM 0 HA LEU A 61 30.936 -11.548 -5.122 1.00 55.13 H new ATOM 0 HB2 LEU A 61 31.502 -14.367 -6.027 1.00 73.44 H new ATOM 0 HB3 LEU A 61 31.143 -14.055 -4.340 1.00 73.44 H new ATOM 0 HG LEU A 61 29.273 -13.048 -6.469 1.00 31.21 H new ATOM 0 HD11 LEU A 61 28.025 -15.167 -6.330 1.00 35.55 H new ATOM 0 HD12 LEU A 61 29.650 -15.401 -7.017 1.00 35.55 H new ATOM 0 HD13 LEU A 61 29.323 -15.860 -5.329 1.00 35.55 H new ATOM 0 HD21 LEU A 61 27.613 -13.382 -4.678 1.00 44.32 H new ATOM 0 HD22 LEU A 61 28.895 -14.005 -3.612 1.00 44.32 H new ATOM 0 HD23 LEU A 61 28.937 -12.312 -4.159 1.00 44.32 H new ATOM 980 N PRO A 62 32.677 -12.063 -3.280 1.00 62.42 N ATOM 981 CA PRO A 62 33.773 -11.987 -2.309 1.00 54.10 C ATOM 982 C PRO A 62 34.468 -13.330 -2.112 1.00 52.24 C ATOM 983 O PRO A 62 34.155 -14.307 -2.793 1.00 0.15 O ATOM 984 CB PRO A 62 33.073 -11.553 -1.019 1.00 32.04 C ATOM 985 CG PRO A 62 31.667 -12.019 -1.175 1.00 34.51 C ATOM 986 CD PRO A 62 31.358 -11.918 -2.643 1.00 74.31 C ATOM 0 HA PRO A 62 34.559 -11.306 -2.634 1.00 54.10 H new ATOM 0 HB2 PRO A 62 33.543 -12.001 -0.144 1.00 32.04 H new ATOM 0 HB3 PRO A 62 33.119 -10.472 -0.888 1.00 32.04 H new ATOM 0 HG2 PRO A 62 31.554 -13.044 -0.822 1.00 34.51 H new ATOM 0 HG3 PRO A 62 30.984 -11.403 -0.589 1.00 34.51 H new ATOM 0 HD2 PRO A 62 30.669 -12.700 -2.963 1.00 74.31 H new ATOM 0 HD3 PRO A 62 30.895 -10.963 -2.891 1.00 74.31 H new ATOM 994 N SER A 63 35.412 -13.371 -1.178 1.00 11.13 N ATOM 995 CA SER A 63 36.154 -14.594 -0.894 1.00 11.20 C ATOM 996 C SER A 63 35.433 -15.436 0.155 1.00 42.43 C ATOM 997 O SER A 63 35.937 -15.636 1.260 1.00 43.53 O ATOM 998 CB SER A 63 37.567 -14.258 -0.412 1.00 74.10 C ATOM 999 OG SER A 63 38.058 -13.091 -1.047 1.00 42.34 O ATOM 0 H SER A 63 35.681 -12.572 -0.605 1.00 11.13 H new ATOM 0 HA SER A 63 36.220 -15.172 -1.816 1.00 11.20 H new ATOM 0 HB2 SER A 63 37.561 -14.113 0.668 1.00 74.10 H new ATOM 0 HB3 SER A 63 38.234 -15.096 -0.618 1.00 74.10 H new ATOM 0 HG SER A 63 38.961 -12.897 -0.721 1.00 42.34 H new ATOM 1005 N SER A 64 34.250 -15.926 -0.201 1.00 21.34 N ATOM 1006 CA SER A 64 33.457 -16.744 0.710 1.00 11.41 C ATOM 1007 C SER A 64 32.210 -17.279 0.013 1.00 15.43 C ATOM 1008 O SER A 64 32.100 -18.475 -0.255 1.00 50.24 O ATOM 1009 CB SER A 64 33.057 -15.930 1.942 1.00 1.14 C ATOM 1010 OG SER A 64 32.423 -16.748 2.910 1.00 31.11 O ATOM 0 H SER A 64 33.820 -15.771 -1.113 1.00 21.34 H new ATOM 0 HA SER A 64 34.067 -17.590 1.025 1.00 11.41 H new ATOM 0 HB2 SER A 64 33.941 -15.465 2.377 1.00 1.14 H new ATOM 0 HB3 SER A 64 32.386 -15.124 1.647 1.00 1.14 H new ATOM 0 HG SER A 64 32.179 -16.205 3.688 1.00 31.11 H new ATOM 1016 N SER A 65 31.271 -16.383 -0.276 1.00 41.14 N ATOM 1017 CA SER A 65 30.029 -16.764 -0.938 1.00 70.14 C ATOM 1018 C SER A 65 30.302 -17.287 -2.345 1.00 73.43 C ATOM 1019 O SER A 65 29.552 -18.112 -2.869 1.00 24.33 O ATOM 1020 CB SER A 65 29.073 -15.571 -1.002 1.00 64.02 C ATOM 1021 OG SER A 65 27.781 -15.928 -0.544 1.00 12.21 O ATOM 0 H SER A 65 31.347 -15.389 -0.062 1.00 41.14 H new ATOM 0 HA SER A 65 29.566 -17.561 -0.356 1.00 70.14 H new ATOM 0 HB2 SER A 65 29.464 -14.754 -0.395 1.00 64.02 H new ATOM 0 HB3 SER A 65 29.011 -15.205 -2.027 1.00 64.02 H new ATOM 0 HG SER A 65 27.412 -15.198 -0.004 1.00 12.21 H new ATOM 1027 N ARG A 66 31.380 -16.802 -2.952 1.00 12.51 N ATOM 1028 CA ARG A 66 31.752 -17.218 -4.299 1.00 32.45 C ATOM 1029 C ARG A 66 31.912 -18.734 -4.374 1.00 32.13 C ATOM 1030 O ARG A 66 31.754 -19.335 -5.437 1.00 54.52 O ATOM 1031 CB ARG A 66 33.053 -16.536 -4.726 1.00 14.24 C ATOM 1032 CG ARG A 66 33.555 -16.981 -6.089 1.00 71.32 C ATOM 1033 CD ARG A 66 34.956 -16.458 -6.365 1.00 31.11 C ATOM 1034 NE ARG A 66 35.782 -17.443 -7.058 1.00 34.42 N ATOM 1035 CZ ARG A 66 37.011 -17.195 -7.496 1.00 53.40 C ATOM 1036 NH1 ARG A 66 37.554 -15.999 -7.314 1.00 14.23 N ATOM 1037 NH2 ARG A 66 37.699 -18.143 -8.118 1.00 24.23 N ATOM 0 H ARG A 66 32.012 -16.120 -2.532 1.00 12.51 H new ATOM 0 HA ARG A 66 30.954 -16.919 -4.978 1.00 32.45 H new ATOM 0 HB2 ARG A 66 32.900 -15.457 -4.739 1.00 14.24 H new ATOM 0 HB3 ARG A 66 33.822 -16.740 -3.981 1.00 14.24 H new ATOM 0 HG2 ARG A 66 33.555 -18.070 -6.140 1.00 71.32 H new ATOM 0 HG3 ARG A 66 32.874 -16.626 -6.862 1.00 71.32 H new ATOM 0 HD2 ARG A 66 34.892 -15.551 -6.966 1.00 31.11 H new ATOM 0 HD3 ARG A 66 35.432 -16.184 -5.424 1.00 31.11 H new ATOM 0 HE ARG A 66 35.393 -18.373 -7.214 1.00 34.42 H new ATOM 0 HH11 ARG A 66 37.028 -15.267 -6.837 1.00 14.23 H new ATOM 0 HH12 ARG A 66 38.498 -15.811 -7.651 1.00 14.23 H new ATOM 0 HH21 ARG A 66 37.284 -19.064 -8.261 1.00 24.23 H new ATOM 0 HH22 ARG A 66 38.643 -17.951 -8.454 1.00 24.23 H new ATOM 1051 N THR A 67 32.227 -19.348 -3.237 1.00 41.13 N ATOM 1052 CA THR A 67 32.410 -20.792 -3.174 1.00 63.43 C ATOM 1053 C THR A 67 31.085 -21.504 -2.929 1.00 20.54 C ATOM 1054 O THR A 67 30.927 -22.676 -3.272 1.00 11.53 O ATOM 1055 CB THR A 67 33.404 -21.185 -2.065 1.00 2.32 C ATOM 1056 OG1 THR A 67 34.255 -20.075 -1.754 1.00 73.32 O ATOM 1057 CG2 THR A 67 34.250 -22.375 -2.492 1.00 41.31 C ATOM 0 H THR A 67 32.361 -18.867 -2.348 1.00 41.13 H new ATOM 0 HA THR A 67 32.813 -21.102 -4.138 1.00 63.43 H new ATOM 0 HB THR A 67 32.834 -21.465 -1.179 1.00 2.32 H new ATOM 0 HG1 THR A 67 33.794 -19.474 -1.132 1.00 73.32 H new ATOM 0 HG21 THR A 67 34.944 -22.634 -1.692 1.00 41.31 H new ATOM 0 HG22 THR A 67 33.602 -23.226 -2.699 1.00 41.31 H new ATOM 0 HG23 THR A 67 34.811 -22.119 -3.391 1.00 41.31 H new ATOM 1065 N GLU A 68 30.136 -20.789 -2.333 1.00 74.33 N ATOM 1066 CA GLU A 68 28.823 -21.355 -2.042 1.00 45.22 C ATOM 1067 C GLU A 68 28.048 -21.621 -3.329 1.00 40.03 C ATOM 1068 O GLU A 68 27.656 -22.755 -3.607 1.00 14.34 O ATOM 1069 CB GLU A 68 28.026 -20.412 -1.139 1.00 51.31 C ATOM 1070 CG GLU A 68 28.475 -20.434 0.312 1.00 5.41 C ATOM 1071 CD GLU A 68 28.470 -21.830 0.903 1.00 4.04 C ATOM 1072 OE1 GLU A 68 27.453 -22.537 0.746 1.00 54.53 O ATOM 1073 OE2 GLU A 68 29.483 -22.216 1.523 1.00 21.14 O ATOM 0 H GLU A 68 30.251 -19.818 -2.042 1.00 74.33 H new ATOM 0 HA GLU A 68 28.971 -22.303 -1.525 1.00 45.22 H new ATOM 0 HB2 GLU A 68 28.114 -19.395 -1.522 1.00 51.31 H new ATOM 0 HB3 GLU A 68 26.971 -20.681 -1.188 1.00 51.31 H new ATOM 0 HG2 GLU A 68 29.479 -20.017 0.384 1.00 5.41 H new ATOM 0 HG3 GLU A 68 27.820 -19.792 0.901 1.00 5.41 H new ATOM 1080 N ILE A 69 27.831 -20.568 -4.111 1.00 31.45 N ATOM 1081 CA ILE A 69 27.103 -20.688 -5.368 1.00 3.01 C ATOM 1082 C ILE A 69 27.770 -21.699 -6.295 1.00 10.22 C ATOM 1083 O ILE A 69 27.120 -22.612 -6.803 1.00 23.15 O ATOM 1084 CB ILE A 69 27.004 -19.332 -6.092 1.00 34.32 C ATOM 1085 CG1 ILE A 69 26.222 -18.330 -5.239 1.00 62.43 C ATOM 1086 CG2 ILE A 69 26.345 -19.506 -7.452 1.00 41.53 C ATOM 1087 CD1 ILE A 69 26.485 -16.888 -5.609 1.00 43.54 C ATOM 0 H ILE A 69 28.149 -19.623 -3.896 1.00 31.45 H new ATOM 0 HA ILE A 69 26.099 -21.033 -5.120 1.00 3.01 H new ATOM 0 HB ILE A 69 28.011 -18.943 -6.244 1.00 34.32 H new ATOM 0 HG12 ILE A 69 25.156 -18.534 -5.339 1.00 62.43 H new ATOM 0 HG13 ILE A 69 26.478 -18.480 -4.190 1.00 62.43 H new ATOM 0 HG21 ILE A 69 26.282 -18.540 -7.952 1.00 41.53 H new ATOM 0 HG22 ILE A 69 26.938 -20.190 -8.059 1.00 41.53 H new ATOM 0 HG23 ILE A 69 25.342 -19.913 -7.321 1.00 41.53 H new ATOM 0 HD11 ILE A 69 25.898 -16.234 -4.964 1.00 43.54 H new ATOM 0 HD12 ILE A 69 27.545 -16.667 -5.482 1.00 43.54 H new ATOM 0 HD13 ILE A 69 26.202 -16.722 -6.648 1.00 43.54 H new ATOM 1099 N GLU A 70 29.071 -21.529 -6.509 1.00 30.01 N ATOM 1100 CA GLU A 70 29.826 -22.428 -7.374 1.00 53.12 C ATOM 1101 C GLU A 70 29.643 -23.880 -6.942 1.00 41.10 C ATOM 1102 O GLU A 70 29.731 -24.797 -7.757 1.00 23.41 O ATOM 1103 CB GLU A 70 31.311 -22.062 -7.356 1.00 3.34 C ATOM 1104 CG GLU A 70 32.066 -22.517 -8.593 1.00 60.40 C ATOM 1105 CD GLU A 70 32.766 -23.847 -8.393 1.00 21.54 C ATOM 1106 OE1 GLU A 70 33.321 -24.067 -7.296 1.00 31.22 O ATOM 1107 OE2 GLU A 70 32.759 -24.669 -9.333 1.00 54.25 O ATOM 0 H GLU A 70 29.624 -20.778 -6.096 1.00 30.01 H new ATOM 0 HA GLU A 70 29.445 -22.318 -8.389 1.00 53.12 H new ATOM 0 HB2 GLU A 70 31.409 -20.981 -7.259 1.00 3.34 H new ATOM 0 HB3 GLU A 70 31.775 -22.505 -6.475 1.00 3.34 H new ATOM 0 HG2 GLU A 70 31.371 -22.599 -9.429 1.00 60.40 H new ATOM 0 HG3 GLU A 70 32.802 -21.760 -8.863 1.00 60.40 H new ATOM 1114 N GLY A 71 29.388 -24.080 -5.652 1.00 43.04 N ATOM 1115 CA GLY A 71 29.198 -25.422 -5.133 1.00 50.23 C ATOM 1116 C GLY A 71 27.735 -25.812 -5.057 1.00 2.20 C ATOM 1117 O GLY A 71 27.406 -26.981 -4.857 1.00 34.42 O ATOM 0 H GLY A 71 29.310 -23.337 -4.958 1.00 43.04 H new ATOM 0 HA2 GLY A 71 29.728 -26.132 -5.768 1.00 50.23 H new ATOM 0 HA3 GLY A 71 29.641 -25.490 -4.140 1.00 50.23 H new ATOM 1121 N THR A 72 26.853 -24.830 -5.215 1.00 42.41 N ATOM 1122 CA THR A 72 25.418 -25.075 -5.160 1.00 73.23 C ATOM 1123 C THR A 72 24.853 -25.349 -6.550 1.00 23.25 C ATOM 1124 O THR A 72 24.250 -26.395 -6.788 1.00 41.14 O ATOM 1125 CB THR A 72 24.667 -23.882 -4.540 1.00 10.12 C ATOM 1126 OG1 THR A 72 25.208 -23.581 -3.248 1.00 54.25 O ATOM 1127 CG2 THR A 72 23.181 -24.183 -4.415 1.00 40.14 C ATOM 0 H THR A 72 27.108 -23.857 -5.382 1.00 42.41 H new ATOM 0 HA THR A 72 25.272 -25.953 -4.531 1.00 73.23 H new ATOM 0 HB THR A 72 24.793 -23.021 -5.197 1.00 10.12 H new ATOM 0 HG1 THR A 72 26.035 -23.065 -3.352 1.00 54.25 H new ATOM 0 HG21 THR A 72 22.672 -23.326 -3.975 1.00 40.14 H new ATOM 0 HG22 THR A 72 22.766 -24.383 -5.403 1.00 40.14 H new ATOM 0 HG23 THR A 72 23.039 -25.056 -3.778 1.00 40.14 H new ATOM 1135 N GLN A 73 25.054 -24.404 -7.462 1.00 0.32 N ATOM 1136 CA GLN A 73 24.564 -24.545 -8.828 1.00 2.20 C ATOM 1137 C GLN A 73 24.997 -25.879 -9.426 1.00 71.33 C ATOM 1138 O GLN A 73 24.283 -26.468 -10.238 1.00 63.44 O ATOM 1139 CB GLN A 73 25.074 -23.394 -9.696 1.00 43.45 C ATOM 1140 CG GLN A 73 24.870 -22.023 -9.072 1.00 33.05 C ATOM 1141 CD GLN A 73 23.581 -21.930 -8.279 1.00 11.42 C ATOM 1142 OE1 GLN A 73 23.599 -21.820 -7.052 1.00 64.34 O ATOM 1143 NE2 GLN A 73 22.452 -21.972 -8.977 1.00 30.04 N ATOM 0 H GLN A 73 25.552 -23.533 -7.280 1.00 0.32 H new ATOM 0 HA GLN A 73 23.475 -24.516 -8.802 1.00 2.20 H new ATOM 0 HB2 GLN A 73 26.136 -23.540 -9.891 1.00 43.45 H new ATOM 0 HB3 GLN A 73 24.566 -23.424 -10.660 1.00 43.45 H new ATOM 0 HG2 GLN A 73 25.712 -21.797 -8.418 1.00 33.05 H new ATOM 0 HG3 GLN A 73 24.864 -21.267 -9.858 1.00 33.05 H new ATOM 0 HE21 GLN A 73 22.483 -22.064 -9.992 1.00 30.04 H new ATOM 0 HE22 GLN A 73 21.554 -21.912 -8.498 1.00 30.04 H new ATOM 1152 N LYS A 74 26.171 -26.351 -9.020 1.00 73.23 N ATOM 1153 CA LYS A 74 26.700 -27.617 -9.515 1.00 15.22 C ATOM 1154 C LYS A 74 25.877 -28.791 -8.993 1.00 43.04 C ATOM 1155 O LYS A 74 25.613 -29.749 -9.721 1.00 41.03 O ATOM 1156 CB LYS A 74 28.163 -27.780 -9.097 1.00 53.22 C ATOM 1157 CG LYS A 74 28.375 -27.737 -7.594 1.00 34.02 C ATOM 1158 CD LYS A 74 28.417 -29.134 -6.997 1.00 11.43 C ATOM 1159 CE LYS A 74 29.833 -29.690 -6.979 1.00 54.40 C ATOM 1160 NZ LYS A 74 30.544 -29.355 -5.715 1.00 2.35 N ATOM 0 H LYS A 74 26.775 -25.876 -8.349 1.00 73.23 H new ATOM 0 HA LYS A 74 26.638 -27.608 -10.603 1.00 15.22 H new ATOM 0 HB2 LYS A 74 28.538 -28.728 -9.481 1.00 53.22 H new ATOM 0 HB3 LYS A 74 28.755 -26.991 -9.562 1.00 53.22 H new ATOM 0 HG2 LYS A 74 29.307 -27.217 -7.372 1.00 34.02 H new ATOM 0 HG3 LYS A 74 27.572 -27.165 -7.129 1.00 34.02 H new ATOM 0 HD2 LYS A 74 28.022 -29.109 -5.981 1.00 11.43 H new ATOM 0 HD3 LYS A 74 27.772 -29.797 -7.574 1.00 11.43 H new ATOM 0 HE2 LYS A 74 29.800 -30.773 -7.101 1.00 54.40 H new ATOM 0 HE3 LYS A 74 30.391 -29.291 -7.826 1.00 54.40 H new ATOM 0 HZ1 LYS A 74 31.505 -29.751 -5.742 1.00 2.35 H new ATOM 0 HZ2 LYS A 74 30.598 -28.322 -5.611 1.00 2.35 H new ATOM 0 HZ3 LYS A 74 30.026 -29.758 -4.908 1.00 2.35 H new ATOM 1174 N LEU A 75 25.474 -28.710 -7.730 1.00 61.22 N ATOM 1175 CA LEU A 75 24.680 -29.766 -7.112 1.00 12.04 C ATOM 1176 C LEU A 75 23.250 -29.753 -7.642 1.00 73.20 C ATOM 1177 O LEU A 75 22.494 -30.706 -7.444 1.00 43.14 O ATOM 1178 CB LEU A 75 24.673 -29.602 -5.591 1.00 3.22 C ATOM 1179 CG LEU A 75 23.497 -28.820 -5.005 1.00 74.51 C ATOM 1180 CD1 LEU A 75 22.343 -29.757 -4.681 1.00 54.54 C ATOM 1181 CD2 LEU A 75 23.930 -28.056 -3.763 1.00 12.51 C ATOM 0 H LEU A 75 25.684 -27.925 -7.114 1.00 61.22 H new ATOM 0 HA LEU A 75 25.134 -30.724 -7.366 1.00 12.04 H new ATOM 0 HB2 LEU A 75 24.685 -30.594 -5.139 1.00 3.22 H new ATOM 0 HB3 LEU A 75 25.597 -29.105 -5.295 1.00 3.22 H new ATOM 0 HG LEU A 75 23.157 -28.100 -5.749 1.00 74.51 H new ATOM 0 HD11 LEU A 75 21.515 -29.184 -4.265 1.00 54.54 H new ATOM 0 HD12 LEU A 75 22.016 -30.259 -5.591 1.00 54.54 H new ATOM 0 HD13 LEU A 75 22.671 -30.500 -3.954 1.00 54.54 H new ATOM 0 HD21 LEU A 75 23.080 -27.505 -3.360 1.00 12.51 H new ATOM 0 HD22 LEU A 75 24.296 -28.758 -3.014 1.00 12.51 H new ATOM 0 HD23 LEU A 75 24.724 -27.357 -4.024 1.00 12.51 H new ATOM 1193 N LEU A 76 22.885 -28.669 -8.318 1.00 33.51 N ATOM 1194 CA LEU A 76 21.545 -28.533 -8.880 1.00 23.13 C ATOM 1195 C LEU A 76 21.355 -29.470 -10.068 1.00 62.40 C ATOM 1196 O LEU A 76 20.242 -29.645 -10.561 1.00 72.31 O ATOM 1197 CB LEU A 76 21.297 -27.087 -9.311 1.00 53.24 C ATOM 1198 CG LEU A 76 20.100 -26.389 -8.663 1.00 64.12 C ATOM 1199 CD1 LEU A 76 20.253 -26.363 -7.150 1.00 70.23 C ATOM 1200 CD2 LEU A 76 19.946 -24.977 -9.210 1.00 20.33 C ATOM 0 H LEU A 76 23.498 -27.872 -8.490 1.00 33.51 H new ATOM 0 HA LEU A 76 20.824 -28.805 -8.109 1.00 23.13 H new ATOM 0 HB2 LEU A 76 22.193 -26.505 -9.093 1.00 53.24 H new ATOM 0 HB3 LEU A 76 21.161 -27.070 -10.392 1.00 53.24 H new ATOM 0 HG LEU A 76 19.199 -26.952 -8.907 1.00 64.12 H new ATOM 0 HD11 LEU A 76 19.392 -25.863 -6.706 1.00 70.23 H new ATOM 0 HD12 LEU A 76 20.314 -27.384 -6.773 1.00 70.23 H new ATOM 0 HD13 LEU A 76 21.163 -25.824 -6.885 1.00 70.23 H new ATOM 0 HD21 LEU A 76 19.090 -24.495 -8.738 1.00 20.33 H new ATOM 0 HD22 LEU A 76 20.848 -24.404 -8.996 1.00 20.33 H new ATOM 0 HD23 LEU A 76 19.790 -25.019 -10.288 1.00 20.33 H new ATOM 1212 N ASN A 77 22.450 -30.072 -10.522 1.00 21.15 N ATOM 1213 CA ASN A 77 22.404 -30.993 -11.651 1.00 73.42 C ATOM 1214 C ASN A 77 22.435 -32.442 -11.173 1.00 40.14 C ATOM 1215 O ASN A 77 22.485 -33.372 -11.978 1.00 62.24 O ATOM 1216 CB ASN A 77 23.576 -30.731 -12.598 1.00 65.42 C ATOM 1217 CG ASN A 77 23.286 -29.616 -13.583 1.00 50.25 C ATOM 1218 OD1 ASN A 77 22.749 -29.852 -14.666 1.00 32.54 O ATOM 1219 ND2 ASN A 77 23.641 -28.391 -13.212 1.00 62.31 N ATOM 0 H ASN A 77 23.380 -29.938 -10.125 1.00 21.15 H new ATOM 0 HA ASN A 77 21.469 -30.826 -12.186 1.00 73.42 H new ATOM 0 HB2 ASN A 77 24.461 -30.476 -12.015 1.00 65.42 H new ATOM 0 HB3 ASN A 77 23.808 -31.644 -13.146 1.00 65.42 H new ATOM 0 HD21 ASN A 77 23.471 -27.600 -13.834 1.00 62.31 H new ATOM 0 HD22 ASN A 77 24.083 -28.241 -12.305 1.00 62.31 H new ATOM 1226 N LYS A 78 22.405 -32.626 -9.858 1.00 34.01 N ATOM 1227 CA LYS A 78 22.427 -33.961 -9.271 1.00 4.52 C ATOM 1228 C LYS A 78 21.079 -34.303 -8.645 1.00 40.04 C ATOM 1229 O LYS A 78 20.720 -35.474 -8.524 1.00 21.32 O ATOM 1230 CB LYS A 78 23.531 -34.057 -8.215 1.00 13.44 C ATOM 1231 CG LYS A 78 23.047 -33.774 -6.803 1.00 3.43 C ATOM 1232 CD LYS A 78 24.209 -33.528 -5.854 1.00 72.53 C ATOM 1233 CE LYS A 78 24.057 -34.328 -4.569 1.00 42.31 C ATOM 1234 NZ LYS A 78 24.266 -33.481 -3.362 1.00 34.33 N ATOM 0 H LYS A 78 22.365 -31.867 -9.178 1.00 34.01 H new ATOM 0 HA LYS A 78 22.630 -34.678 -10.067 1.00 4.52 H new ATOM 0 HB2 LYS A 78 23.968 -35.055 -8.247 1.00 13.44 H new ATOM 0 HB3 LYS A 78 24.325 -33.354 -8.466 1.00 13.44 H new ATOM 0 HG2 LYS A 78 22.391 -32.904 -6.810 1.00 3.43 H new ATOM 0 HG3 LYS A 78 22.455 -34.616 -6.445 1.00 3.43 H new ATOM 0 HD2 LYS A 78 25.144 -33.799 -6.344 1.00 72.53 H new ATOM 0 HD3 LYS A 78 24.269 -32.466 -5.618 1.00 72.53 H new ATOM 0 HE2 LYS A 78 23.062 -34.773 -4.533 1.00 42.31 H new ATOM 0 HE3 LYS A 78 24.774 -35.149 -4.565 1.00 42.31 H new ATOM 0 HZ1 LYS A 78 24.154 -34.062 -2.507 1.00 34.33 H new ATOM 0 HZ2 LYS A 78 25.224 -33.077 -3.383 1.00 34.33 H new ATOM 0 HZ3 LYS A 78 23.566 -32.712 -3.352 1.00 34.33 H new ATOM 1248 N ASP A 79 20.336 -33.274 -8.252 1.00 23.31 N ATOM 1249 CA ASP A 79 19.026 -33.467 -7.641 1.00 50.54 C ATOM 1250 C ASP A 79 18.050 -34.090 -8.634 1.00 60.03 C ATOM 1251 O ASP A 79 17.001 -34.607 -8.248 1.00 71.45 O ATOM 1252 CB ASP A 79 18.475 -32.133 -7.135 1.00 0.41 C ATOM 1253 CG ASP A 79 19.432 -31.432 -6.191 1.00 30.14 C ATOM 1254 OD1 ASP A 79 20.213 -32.131 -5.512 1.00 0.11 O ATOM 1255 OD2 ASP A 79 19.399 -30.185 -6.130 1.00 3.15 O ATOM 0 H ASP A 79 20.618 -32.298 -8.346 1.00 23.31 H new ATOM 0 HA ASP A 79 19.142 -34.147 -6.797 1.00 50.54 H new ATOM 0 HB2 ASP A 79 18.267 -31.483 -7.985 1.00 0.41 H new ATOM 0 HB3 ASP A 79 17.527 -32.305 -6.625 1.00 0.41 H new ATOM 1260 N LEU A 80 18.402 -34.037 -9.914 1.00 55.53 N ATOM 1261 CA LEU A 80 17.556 -34.595 -10.964 1.00 22.22 C ATOM 1262 C LEU A 80 18.191 -35.844 -11.567 1.00 70.11 C ATOM 1263 O LEU A 80 17.507 -36.672 -12.168 1.00 54.42 O ATOM 1264 CB LEU A 80 17.312 -33.554 -12.058 1.00 22.13 C ATOM 1265 CG LEU A 80 18.402 -32.496 -12.232 1.00 63.15 C ATOM 1266 CD1 LEU A 80 19.698 -33.138 -12.703 1.00 4.22 C ATOM 1267 CD2 LEU A 80 17.951 -31.422 -13.211 1.00 70.04 C ATOM 0 H LEU A 80 19.267 -33.614 -10.250 1.00 55.53 H new ATOM 0 HA LEU A 80 16.601 -34.874 -10.518 1.00 22.22 H new ATOM 0 HB2 LEU A 80 17.185 -34.076 -13.007 1.00 22.13 H new ATOM 0 HB3 LEU A 80 16.371 -33.046 -11.845 1.00 22.13 H new ATOM 0 HG LEU A 80 18.583 -32.026 -11.265 1.00 63.15 H new ATOM 0 HD11 LEU A 80 20.462 -32.370 -12.821 1.00 4.22 H new ATOM 0 HD12 LEU A 80 20.030 -33.870 -11.967 1.00 4.22 H new ATOM 0 HD13 LEU A 80 19.532 -33.635 -13.659 1.00 4.22 H new ATOM 0 HD21 LEU A 80 18.739 -30.677 -13.323 1.00 70.04 H new ATOM 0 HD22 LEU A 80 17.742 -31.877 -14.179 1.00 70.04 H new ATOM 0 HD23 LEU A 80 17.049 -30.941 -12.833 1.00 70.04 H new ATOM 1279 N ALA A 81 19.503 -35.974 -11.400 1.00 60.24 N ATOM 1280 CA ALA A 81 20.229 -37.124 -11.925 1.00 24.14 C ATOM 1281 C ALA A 81 19.707 -38.424 -11.323 1.00 22.23 C ATOM 1282 O ALA A 81 19.720 -39.469 -11.973 1.00 51.53 O ATOM 1283 CB ALA A 81 21.719 -36.976 -11.654 1.00 2.44 C ATOM 0 H ALA A 81 20.085 -35.298 -10.906 1.00 60.24 H new ATOM 0 HA ALA A 81 20.069 -37.163 -13.002 1.00 24.14 H new ATOM 0 HB1 ALA A 81 22.249 -37.842 -12.051 1.00 2.44 H new ATOM 0 HB2 ALA A 81 22.089 -36.071 -12.137 1.00 2.44 H new ATOM 0 HB3 ALA A 81 21.888 -36.909 -10.579 1.00 2.44 H new ATOM 1289 N GLU A 82 19.250 -38.352 -10.077 1.00 35.34 N ATOM 1290 CA GLU A 82 18.725 -39.525 -9.387 1.00 73.24 C ATOM 1291 C GLU A 82 17.231 -39.690 -9.654 1.00 2.22 C ATOM 1292 O GLU A 82 16.718 -40.808 -9.706 1.00 73.30 O ATOM 1293 CB GLU A 82 18.976 -39.415 -7.882 1.00 43.02 C ATOM 1294 CG GLU A 82 20.417 -39.688 -7.484 1.00 41.23 C ATOM 1295 CD GLU A 82 20.889 -41.064 -7.911 1.00 24.25 C ATOM 1296 OE1 GLU A 82 20.057 -41.995 -7.936 1.00 53.22 O ATOM 1297 OE2 GLU A 82 22.091 -41.211 -8.218 1.00 34.20 O ATOM 0 H GLU A 82 19.233 -37.495 -9.525 1.00 35.34 H new ATOM 0 HA GLU A 82 19.245 -40.403 -9.771 1.00 73.24 H new ATOM 0 HB2 GLU A 82 18.699 -38.415 -7.548 1.00 43.02 H new ATOM 0 HB3 GLU A 82 18.325 -40.117 -7.361 1.00 43.02 H new ATOM 0 HG2 GLU A 82 21.063 -38.932 -7.930 1.00 41.23 H new ATOM 0 HG3 GLU A 82 20.516 -39.593 -6.403 1.00 41.23 H new ATOM 1304 N LEU A 83 16.539 -38.568 -9.821 1.00 61.31 N ATOM 1305 CA LEU A 83 15.104 -38.587 -10.082 1.00 11.43 C ATOM 1306 C LEU A 83 14.803 -39.244 -11.425 1.00 14.03 C ATOM 1307 O LEU A 83 14.011 -40.184 -11.503 1.00 1.01 O ATOM 1308 CB LEU A 83 14.544 -37.163 -10.061 1.00 34.34 C ATOM 1309 CG LEU A 83 13.220 -36.952 -10.797 1.00 21.04 C ATOM 1310 CD1 LEU A 83 12.141 -37.859 -10.226 1.00 22.31 C ATOM 1311 CD2 LEU A 83 12.791 -35.494 -10.715 1.00 65.22 C ATOM 0 H LEU A 83 16.948 -37.635 -9.780 1.00 61.31 H new ATOM 0 HA LEU A 83 14.624 -39.172 -9.297 1.00 11.43 H new ATOM 0 HB2 LEU A 83 14.411 -36.861 -9.022 1.00 34.34 H new ATOM 0 HB3 LEU A 83 15.288 -36.495 -10.494 1.00 34.34 H new ATOM 0 HG LEU A 83 13.365 -37.210 -11.846 1.00 21.04 H new ATOM 0 HD11 LEU A 83 11.206 -37.695 -10.762 1.00 22.31 H new ATOM 0 HD12 LEU A 83 12.445 -38.900 -10.337 1.00 22.31 H new ATOM 0 HD13 LEU A 83 11.998 -37.633 -9.169 1.00 22.31 H new ATOM 0 HD21 LEU A 83 11.847 -35.362 -11.244 1.00 65.22 H new ATOM 0 HD22 LEU A 83 12.664 -35.210 -9.670 1.00 65.22 H new ATOM 0 HD23 LEU A 83 13.554 -34.864 -11.172 1.00 65.22 H new ATOM 1323 N ILE A 84 15.440 -38.745 -12.478 1.00 42.22 N ATOM 1324 CA ILE A 84 15.243 -39.286 -13.817 1.00 53.01 C ATOM 1325 C ILE A 84 15.621 -40.762 -13.875 1.00 33.24 C ATOM 1326 O ILE A 84 14.983 -41.550 -14.572 1.00 0.20 O ATOM 1327 CB ILE A 84 16.069 -38.515 -14.863 1.00 51.05 C ATOM 1328 CG1 ILE A 84 15.683 -37.034 -14.860 1.00 72.40 C ATOM 1329 CG2 ILE A 84 15.867 -39.117 -16.246 1.00 23.31 C ATOM 1330 CD1 ILE A 84 16.767 -36.126 -15.396 1.00 71.02 C ATOM 0 H ILE A 84 16.097 -37.967 -12.430 1.00 42.22 H new ATOM 0 HA ILE A 84 14.184 -39.175 -14.049 1.00 53.01 H new ATOM 0 HB ILE A 84 17.124 -38.597 -14.602 1.00 51.05 H new ATOM 0 HG12 ILE A 84 14.781 -36.901 -15.457 1.00 72.40 H new ATOM 0 HG13 ILE A 84 15.439 -36.733 -13.841 1.00 72.40 H new ATOM 0 HG21 ILE A 84 16.457 -38.561 -16.975 1.00 23.31 H new ATOM 0 HG22 ILE A 84 16.186 -40.159 -16.239 1.00 23.31 H new ATOM 0 HG23 ILE A 84 14.812 -39.062 -16.516 1.00 23.31 H new ATOM 0 HD11 ILE A 84 16.424 -35.092 -15.364 1.00 71.02 H new ATOM 0 HD12 ILE A 84 17.664 -36.230 -14.785 1.00 71.02 H new ATOM 0 HD13 ILE A 84 16.996 -36.401 -16.426 1.00 71.02 H new ATOM 1342 N ASN A 85 16.662 -41.130 -13.135 1.00 34.15 N ATOM 1343 CA ASN A 85 17.124 -42.513 -13.100 1.00 43.21 C ATOM 1344 C ASN A 85 16.084 -43.419 -12.449 1.00 15.40 C ATOM 1345 O ASN A 85 15.846 -44.538 -12.904 1.00 51.42 O ATOM 1346 CB ASN A 85 18.449 -42.610 -12.340 1.00 73.42 C ATOM 1347 CG ASN A 85 19.646 -42.325 -13.226 1.00 70.01 C ATOM 1348 OD1 ASN A 85 19.547 -41.276 -14.034 1.00 31.14 O flip ATOM 1349 ND2 ASN A 85 20.648 -43.039 -13.184 1.00 71.14 N flip ATOM 0 H ASN A 85 17.201 -40.490 -12.552 1.00 34.15 H new ATOM 0 HA ASN A 85 17.276 -42.845 -14.127 1.00 43.21 H new ATOM 0 HB2 ASN A 85 18.440 -41.905 -11.508 1.00 73.42 H new ATOM 0 HB3 ASN A 85 18.547 -43.608 -11.912 1.00 73.42 H new ATOM 0 HD21 ASN A 85 20.680 -43.835 -12.547 1.00 71.14 H new ATOM 0 HD22 ASN A 85 21.446 -42.834 -13.786 1.00 71.14 H new ATOM 1356 N LYS A 86 15.465 -42.927 -11.381 1.00 33.01 N ATOM 1357 CA LYS A 86 14.448 -43.690 -10.667 1.00 15.42 C ATOM 1358 C LYS A 86 13.161 -43.777 -11.482 1.00 21.22 C ATOM 1359 O LYS A 86 12.333 -44.660 -11.258 1.00 50.43 O ATOM 1360 CB LYS A 86 14.160 -43.048 -9.308 1.00 0.34 C ATOM 1361 CG LYS A 86 13.802 -44.051 -8.225 1.00 12.12 C ATOM 1362 CD LYS A 86 15.014 -44.855 -7.787 1.00 22.41 C ATOM 1363 CE LYS A 86 14.610 -46.075 -6.972 1.00 55.54 C ATOM 1364 NZ LYS A 86 15.287 -46.106 -5.647 1.00 2.12 N ATOM 0 H LYS A 86 15.650 -42.003 -10.991 1.00 33.01 H new ATOM 0 HA LYS A 86 14.829 -44.699 -10.512 1.00 15.42 H new ATOM 0 HB2 LYS A 86 15.035 -42.480 -8.991 1.00 0.34 H new ATOM 0 HB3 LYS A 86 13.341 -42.337 -9.418 1.00 0.34 H new ATOM 0 HG2 LYS A 86 13.383 -43.527 -7.366 1.00 12.12 H new ATOM 0 HG3 LYS A 86 13.030 -44.726 -8.594 1.00 12.12 H new ATOM 0 HD2 LYS A 86 15.577 -45.173 -8.664 1.00 22.41 H new ATOM 0 HD3 LYS A 86 15.676 -44.223 -7.195 1.00 22.41 H new ATOM 0 HE2 LYS A 86 13.530 -46.074 -6.828 1.00 55.54 H new ATOM 0 HE3 LYS A 86 14.856 -46.980 -7.527 1.00 55.54 H new ATOM 0 HZ1 LYS A 86 14.643 -46.509 -4.937 1.00 2.12 H new ATOM 0 HZ2 LYS A 86 16.144 -46.691 -5.709 1.00 2.12 H new ATOM 0 HZ3 LYS A 86 15.548 -45.139 -5.368 1.00 2.12 H new ATOM 1378 N MET A 87 13.002 -42.858 -12.428 1.00 14.42 N ATOM 1379 CA MET A 87 11.817 -42.834 -13.278 1.00 13.33 C ATOM 1380 C MET A 87 11.828 -44.001 -14.259 1.00 60.32 C ATOM 1381 O MET A 87 10.969 -44.881 -14.201 1.00 23.51 O ATOM 1382 CB MET A 87 11.738 -41.511 -14.042 1.00 14.41 C ATOM 1383 CG MET A 87 11.036 -40.405 -13.271 1.00 15.40 C ATOM 1384 SD MET A 87 9.274 -40.721 -13.052 1.00 51.34 S ATOM 1385 CE MET A 87 8.726 -40.779 -14.757 1.00 24.33 C ATOM 0 H MET A 87 13.678 -42.120 -12.626 1.00 14.42 H new ATOM 0 HA MET A 87 10.940 -42.929 -12.638 1.00 13.33 H new ATOM 0 HB2 MET A 87 12.747 -41.184 -14.292 1.00 14.41 H new ATOM 0 HB3 MET A 87 11.214 -41.675 -14.984 1.00 14.41 H new ATOM 0 HG2 MET A 87 11.506 -40.294 -12.294 1.00 15.40 H new ATOM 0 HG3 MET A 87 11.169 -39.460 -13.797 1.00 15.40 H new ATOM 0 HE1 MET A 87 7.724 -40.355 -14.832 1.00 24.33 H new ATOM 0 HE2 MET A 87 9.411 -40.203 -15.379 1.00 24.33 H new ATOM 0 HE3 MET A 87 8.709 -41.814 -15.099 1.00 24.33 H new ATOM 1395 N ARG A 88 12.805 -44.002 -15.160 1.00 23.12 N ATOM 1396 CA ARG A 88 12.927 -45.061 -16.155 1.00 13.14 C ATOM 1397 C ARG A 88 13.002 -46.430 -15.485 1.00 4.00 C ATOM 1398 O ARG A 88 12.671 -47.449 -16.092 1.00 64.32 O ATOM 1399 CB ARG A 88 14.167 -44.836 -17.021 1.00 40.03 C ATOM 1400 CG ARG A 88 15.468 -44.845 -16.236 1.00 44.11 C ATOM 1401 CD ARG A 88 16.671 -45.008 -17.153 1.00 11.34 C ATOM 1402 NE ARG A 88 16.715 -46.331 -17.768 1.00 75.34 N ATOM 1403 CZ ARG A 88 17.718 -46.755 -18.529 1.00 30.55 C ATOM 1404 NH1 ARG A 88 18.755 -45.964 -18.765 1.00 24.42 N ATOM 1405 NH2 ARG A 88 17.685 -47.974 -19.054 1.00 1.44 N ATOM 0 H ARG A 88 13.524 -43.281 -15.221 1.00 23.12 H new ATOM 0 HA ARG A 88 12.041 -45.034 -16.789 1.00 13.14 H new ATOM 0 HB2 ARG A 88 14.210 -45.610 -17.787 1.00 40.03 H new ATOM 0 HB3 ARG A 88 14.071 -43.881 -17.537 1.00 40.03 H new ATOM 0 HG2 ARG A 88 15.561 -43.916 -15.673 1.00 44.11 H new ATOM 0 HG3 ARG A 88 15.450 -45.657 -15.509 1.00 44.11 H new ATOM 0 HD2 ARG A 88 16.638 -44.247 -17.933 1.00 11.34 H new ATOM 0 HD3 ARG A 88 17.586 -44.842 -16.584 1.00 11.34 H new ATOM 0 HE ARG A 88 15.933 -46.965 -17.605 1.00 75.34 H new ATOM 0 HH11 ARG A 88 18.784 -45.027 -18.362 1.00 24.42 H new ATOM 0 HH12 ARG A 88 19.524 -46.292 -19.350 1.00 24.42 H new ATOM 0 HH21 ARG A 88 16.889 -48.586 -18.873 1.00 1.44 H new ATOM 0 HH22 ARG A 88 18.456 -48.299 -19.638 1.00 1.44 H new ATOM 1419 N LEU A 89 13.440 -46.446 -14.231 1.00 4.11 N ATOM 1420 CA LEU A 89 13.560 -47.690 -13.478 1.00 43.31 C ATOM 1421 C LEU A 89 12.273 -47.992 -12.717 1.00 4.30 C ATOM 1422 O LEU A 89 12.008 -49.138 -12.356 1.00 65.03 O ATOM 1423 CB LEU A 89 14.736 -47.607 -12.503 1.00 32.22 C ATOM 1424 CG LEU A 89 14.762 -48.658 -11.392 1.00 74.03 C ATOM 1425 CD1 LEU A 89 14.978 -50.046 -11.976 1.00 14.24 C ATOM 1426 CD2 LEU A 89 15.844 -48.331 -10.374 1.00 31.22 C ATOM 0 H LEU A 89 13.718 -45.612 -13.714 1.00 4.11 H new ATOM 0 HA LEU A 89 13.740 -48.499 -14.186 1.00 43.31 H new ATOM 0 HB2 LEU A 89 15.661 -47.687 -13.073 1.00 32.22 H new ATOM 0 HB3 LEU A 89 14.731 -46.619 -12.042 1.00 32.22 H new ATOM 0 HG LEU A 89 13.798 -48.646 -10.884 1.00 74.03 H new ATOM 0 HD11 LEU A 89 14.994 -50.781 -11.171 1.00 14.24 H new ATOM 0 HD12 LEU A 89 14.167 -50.281 -12.666 1.00 14.24 H new ATOM 0 HD13 LEU A 89 15.928 -50.072 -12.510 1.00 14.24 H new ATOM 0 HD21 LEU A 89 15.848 -49.089 -9.591 1.00 31.22 H new ATOM 0 HD22 LEU A 89 16.815 -48.315 -10.868 1.00 31.22 H new ATOM 0 HD23 LEU A 89 15.645 -47.355 -9.932 1.00 31.22 H new ATOM 1438 N ALA A 90 11.476 -46.956 -12.478 1.00 43.50 N ATOM 1439 CA ALA A 90 10.215 -47.111 -11.764 1.00 1.31 C ATOM 1440 C ALA A 90 9.195 -47.867 -12.609 1.00 2.43 C ATOM 1441 O ALA A 90 8.569 -48.816 -12.139 1.00 23.23 O ATOM 1442 CB ALA A 90 9.665 -45.750 -11.362 1.00 25.13 C ATOM 0 H ALA A 90 11.681 -46.000 -12.769 1.00 43.50 H new ATOM 0 HA ALA A 90 10.406 -47.694 -10.863 1.00 1.31 H new ATOM 0 HB1 ALA A 90 8.723 -45.881 -10.830 1.00 25.13 H new ATOM 0 HB2 ALA A 90 10.381 -45.245 -10.714 1.00 25.13 H new ATOM 0 HB3 ALA A 90 9.496 -45.148 -12.255 1.00 25.13 H new ATOM 1448 N GLN A 91 9.033 -47.438 -13.856 1.00 64.34 N ATOM 1449 CA GLN A 91 8.088 -48.075 -14.766 1.00 13.05 C ATOM 1450 C GLN A 91 8.785 -49.116 -15.635 1.00 30.44 C ATOM 1451 O GLN A 91 8.332 -49.421 -16.737 1.00 74.42 O ATOM 1452 CB GLN A 91 7.412 -47.025 -15.650 1.00 22.33 C ATOM 1453 CG GLN A 91 8.322 -46.463 -16.730 1.00 2.35 C ATOM 1454 CD GLN A 91 8.480 -44.958 -16.634 1.00 2.01 C ATOM 1455 OE1 GLN A 91 9.596 -44.438 -16.642 1.00 42.41 O ATOM 1456 NE2 GLN A 91 7.361 -44.249 -16.543 1.00 32.54 N ATOM 0 H GLN A 91 9.543 -46.652 -14.260 1.00 64.34 H new ATOM 0 HA GLN A 91 7.329 -48.579 -14.167 1.00 13.05 H new ATOM 0 HB2 GLN A 91 6.534 -47.468 -16.120 1.00 22.33 H new ATOM 0 HB3 GLN A 91 7.058 -46.207 -15.023 1.00 22.33 H new ATOM 0 HG2 GLN A 91 9.303 -46.933 -16.655 1.00 2.35 H new ATOM 0 HG3 GLN A 91 7.919 -46.721 -17.710 1.00 2.35 H new ATOM 0 HE21 GLN A 91 6.457 -44.721 -16.540 1.00 32.54 H new ATOM 0 HE22 GLN A 91 7.406 -43.232 -16.476 1.00 32.54 H new ATOM 1465 N GLN A 92 9.889 -49.657 -15.130 1.00 62.51 N ATOM 1466 CA GLN A 92 10.649 -50.664 -15.862 1.00 21.01 C ATOM 1467 C GLN A 92 9.962 -52.024 -15.790 1.00 1.23 C ATOM 1468 O GLN A 92 9.166 -52.280 -14.888 1.00 31.42 O ATOM 1469 CB GLN A 92 12.070 -50.767 -15.304 1.00 15.25 C ATOM 1470 CG GLN A 92 13.042 -51.466 -16.240 1.00 1.05 C ATOM 1471 CD GLN A 92 14.330 -50.689 -16.429 1.00 61.32 C ATOM 1472 OE1 GLN A 92 14.962 -50.311 -15.324 1.00 11.54 O flip ATOM 1473 NE2 GLN A 92 14.753 -50.432 -17.557 1.00 70.32 N flip ATOM 0 H GLN A 92 10.277 -49.415 -14.218 1.00 62.51 H new ATOM 0 HA GLN A 92 10.698 -50.357 -16.907 1.00 21.01 H new ATOM 0 HB2 GLN A 92 12.441 -49.765 -15.091 1.00 15.25 H new ATOM 0 HB3 GLN A 92 12.041 -51.305 -14.356 1.00 15.25 H new ATOM 0 HG2 GLN A 92 13.273 -52.455 -15.845 1.00 1.05 H new ATOM 0 HG3 GLN A 92 12.565 -51.613 -17.209 1.00 1.05 H new ATOM 0 HE21 GLN A 92 14.235 -50.742 -18.379 1.00 70.32 H new ATOM 0 HE22 GLN A 92 15.622 -49.909 -17.669 1.00 70.32 H new ATOM 1482 N ASN A 93 10.276 -52.891 -16.747 1.00 32.24 N ATOM 1483 CA ASN A 93 9.688 -54.225 -16.792 1.00 34.01 C ATOM 1484 C ASN A 93 10.236 -55.100 -15.668 1.00 52.34 C ATOM 1485 O ASN A 93 11.156 -55.889 -15.876 1.00 24.41 O ATOM 1486 CB ASN A 93 9.965 -54.881 -18.146 1.00 35.51 C ATOM 1487 CG ASN A 93 8.901 -54.553 -19.176 1.00 43.41 C ATOM 1488 OD1 ASN A 93 8.265 -55.446 -19.734 1.00 74.23 O ATOM 1489 ND2 ASN A 93 8.705 -53.265 -19.433 1.00 10.41 N ATOM 0 H ASN A 93 10.934 -52.694 -17.501 1.00 32.24 H new ATOM 0 HA ASN A 93 8.611 -54.125 -16.658 1.00 34.01 H new ATOM 0 HB2 ASN A 93 10.937 -54.552 -18.514 1.00 35.51 H new ATOM 0 HB3 ASN A 93 10.022 -55.962 -18.018 1.00 35.51 H new ATOM 0 HD21 ASN A 93 8.003 -52.983 -20.117 1.00 10.41 H new ATOM 0 HD22 ASN A 93 9.256 -52.558 -18.946 1.00 10.41 H new ATOM 1496 N ALA A 94 9.663 -54.953 -14.478 1.00 53.04 N ATOM 1497 CA ALA A 94 10.092 -55.731 -13.323 1.00 14.02 C ATOM 1498 C ALA A 94 8.937 -56.546 -12.750 1.00 53.23 C ATOM 1499 O ALA A 94 7.974 -55.990 -12.221 1.00 70.32 O ATOM 1500 CB ALA A 94 10.673 -54.815 -12.256 1.00 44.03 C ATOM 0 H ALA A 94 8.901 -54.302 -14.289 1.00 53.04 H new ATOM 0 HA ALA A 94 10.865 -56.426 -13.651 1.00 14.02 H new ATOM 0 HB1 ALA A 94 10.989 -55.410 -11.399 1.00 44.03 H new ATOM 0 HB2 ALA A 94 11.531 -54.280 -12.663 1.00 44.03 H new ATOM 0 HB3 ALA A 94 9.915 -54.098 -11.940 1.00 44.03 H new ATOM 1506 N VAL A 95 9.039 -57.867 -12.860 1.00 53.43 N ATOM 1507 CA VAL A 95 8.003 -58.758 -12.353 1.00 74.31 C ATOM 1508 C VAL A 95 7.997 -58.783 -10.829 1.00 21.42 C ATOM 1509 O VAL A 95 6.969 -59.045 -10.204 1.00 75.52 O ATOM 1510 CB VAL A 95 8.191 -60.194 -12.878 1.00 41.15 C ATOM 1511 CG1 VAL A 95 9.522 -60.763 -12.411 1.00 33.41 C ATOM 1512 CG2 VAL A 95 7.037 -61.079 -12.434 1.00 31.44 C ATOM 0 H VAL A 95 9.829 -58.343 -13.296 1.00 53.43 H new ATOM 0 HA VAL A 95 7.049 -58.370 -12.711 1.00 74.31 H new ATOM 0 HB VAL A 95 8.198 -60.166 -13.968 1.00 41.15 H new ATOM 0 HG11 VAL A 95 9.637 -61.778 -12.791 1.00 33.41 H new ATOM 0 HG12 VAL A 95 10.335 -60.141 -12.785 1.00 33.41 H new ATOM 0 HG13 VAL A 95 9.549 -60.779 -11.321 1.00 33.41 H new ATOM 0 HG21 VAL A 95 7.186 -62.090 -12.814 1.00 31.44 H new ATOM 0 HG22 VAL A 95 6.995 -61.103 -11.345 1.00 31.44 H new ATOM 0 HG23 VAL A 95 6.101 -60.679 -12.824 1.00 31.44 H new ATOM 1522 N THR A 96 9.154 -58.508 -10.233 1.00 74.35 N ATOM 1523 CA THR A 96 9.283 -58.500 -8.782 1.00 0.31 C ATOM 1524 C THR A 96 8.510 -57.338 -8.168 1.00 22.01 C ATOM 1525 O THR A 96 8.146 -56.387 -8.860 1.00 21.40 O ATOM 1526 CB THR A 96 10.759 -58.405 -8.350 1.00 35.20 C ATOM 1527 OG1 THR A 96 10.849 -58.368 -6.921 1.00 44.14 O ATOM 1528 CG2 THR A 96 11.416 -57.166 -8.938 1.00 1.44 C ATOM 0 H THR A 96 10.015 -58.288 -10.734 1.00 74.35 H new ATOM 0 HA THR A 96 8.866 -59.441 -8.422 1.00 0.31 H new ATOM 0 HB THR A 96 11.282 -59.285 -8.724 1.00 35.20 H new ATOM 0 HG1 THR A 96 11.790 -58.309 -6.654 1.00 44.14 H new ATOM 0 HG21 THR A 96 12.457 -57.120 -8.619 1.00 1.44 H new ATOM 0 HG22 THR A 96 11.371 -57.212 -10.026 1.00 1.44 H new ATOM 0 HG23 THR A 96 10.891 -56.276 -8.591 1.00 1.44 H new ATOM 1536 N SER A 97 8.263 -57.421 -6.864 1.00 45.44 N ATOM 1537 CA SER A 97 7.531 -56.377 -6.157 1.00 53.35 C ATOM 1538 C SER A 97 8.485 -55.326 -5.598 1.00 65.33 C ATOM 1539 O SER A 97 8.401 -54.954 -4.427 1.00 53.12 O ATOM 1540 CB SER A 97 6.702 -56.984 -5.024 1.00 21.21 C ATOM 1541 OG SER A 97 7.481 -57.874 -4.243 1.00 1.31 O ATOM 0 H SER A 97 8.559 -58.200 -6.276 1.00 45.44 H new ATOM 0 HA SER A 97 6.862 -55.892 -6.868 1.00 53.35 H new ATOM 0 HB2 SER A 97 6.308 -56.189 -4.391 1.00 21.21 H new ATOM 0 HB3 SER A 97 5.845 -57.514 -5.440 1.00 21.21 H new ATOM 0 HG SER A 97 6.929 -58.247 -3.524 1.00 1.31 H new ATOM 1547 N LEU A 98 9.394 -54.852 -6.444 1.00 20.35 N ATOM 1548 CA LEU A 98 10.366 -53.844 -6.036 1.00 23.15 C ATOM 1549 C LEU A 98 9.888 -52.444 -6.408 1.00 65.44 C ATOM 1550 O LEU A 98 10.310 -51.454 -5.811 1.00 65.15 O ATOM 1551 CB LEU A 98 11.723 -54.123 -6.686 1.00 14.41 C ATOM 1552 CG LEU A 98 12.951 -53.675 -5.894 1.00 4.42 C ATOM 1553 CD1 LEU A 98 14.200 -54.377 -6.404 1.00 3.14 C ATOM 1554 CD2 LEU A 98 13.116 -52.164 -5.974 1.00 43.14 C ATOM 0 H LEU A 98 9.478 -55.150 -7.416 1.00 20.35 H new ATOM 0 HA LEU A 98 10.472 -53.895 -4.952 1.00 23.15 H new ATOM 0 HB2 LEU A 98 11.803 -55.195 -6.867 1.00 14.41 H new ATOM 0 HB3 LEU A 98 11.745 -53.633 -7.659 1.00 14.41 H new ATOM 0 HG LEU A 98 12.805 -53.949 -4.849 1.00 4.42 H new ATOM 0 HD11 LEU A 98 15.064 -54.046 -5.828 1.00 3.14 H new ATOM 0 HD12 LEU A 98 14.082 -55.455 -6.294 1.00 3.14 H new ATOM 0 HD13 LEU A 98 14.350 -54.134 -7.456 1.00 3.14 H new ATOM 0 HD21 LEU A 98 13.995 -51.863 -5.404 1.00 43.14 H new ATOM 0 HD22 LEU A 98 13.239 -51.866 -7.015 1.00 43.14 H new ATOM 0 HD23 LEU A 98 12.232 -51.679 -5.560 1.00 43.14 H new ATOM 1566 N SER A 99 9.004 -52.371 -7.398 1.00 1.31 N ATOM 1567 CA SER A 99 8.470 -51.092 -7.852 1.00 35.13 C ATOM 1568 C SER A 99 7.922 -50.285 -6.678 1.00 73.24 C ATOM 1569 O SER A 99 7.942 -49.055 -6.695 1.00 33.01 O ATOM 1570 CB SER A 99 7.368 -51.315 -8.890 1.00 65.22 C ATOM 1571 OG SER A 99 6.651 -50.119 -9.138 1.00 1.40 O ATOM 0 H SER A 99 8.643 -53.182 -7.901 1.00 1.31 H new ATOM 0 HA SER A 99 9.283 -50.529 -8.310 1.00 35.13 H new ATOM 0 HB2 SER A 99 7.807 -51.678 -9.819 1.00 65.22 H new ATOM 0 HB3 SER A 99 6.683 -52.087 -8.538 1.00 65.22 H new ATOM 0 HG SER A 99 5.954 -50.288 -9.806 1.00 1.40 H new ATOM 1577 N GLU A 100 7.433 -50.988 -5.662 1.00 31.44 N ATOM 1578 CA GLU A 100 6.879 -50.338 -4.480 1.00 53.32 C ATOM 1579 C GLU A 100 7.892 -49.380 -3.861 1.00 3.14 C ATOM 1580 O GLU A 100 7.569 -48.234 -3.551 1.00 0.14 O ATOM 1581 CB GLU A 100 6.451 -51.383 -3.448 1.00 23.20 C ATOM 1582 CG GLU A 100 5.104 -52.018 -3.747 1.00 15.14 C ATOM 1583 CD GLU A 100 4.446 -52.601 -2.511 1.00 3.45 C ATOM 1584 OE1 GLU A 100 4.444 -51.921 -1.463 1.00 72.10 O ATOM 1585 OE2 GLU A 100 3.934 -53.737 -2.592 1.00 2.15 O ATOM 0 H GLU A 100 7.409 -52.007 -5.633 1.00 31.44 H new ATOM 0 HA GLU A 100 6.005 -49.765 -4.789 1.00 53.32 H new ATOM 0 HB2 GLU A 100 7.209 -52.165 -3.399 1.00 23.20 H new ATOM 0 HB3 GLU A 100 6.412 -50.915 -2.464 1.00 23.20 H new ATOM 0 HG2 GLU A 100 4.444 -51.270 -4.187 1.00 15.14 H new ATOM 0 HG3 GLU A 100 5.234 -52.805 -4.490 1.00 15.14 H new ATOM 1592 N GLU A 101 9.119 -49.860 -3.683 1.00 43.21 N ATOM 1593 CA GLU A 101 10.180 -49.047 -3.099 1.00 53.22 C ATOM 1594 C GLU A 101 10.519 -47.865 -4.003 1.00 12.44 C ATOM 1595 O GLU A 101 10.857 -46.782 -3.525 1.00 62.01 O ATOM 1596 CB GLU A 101 11.430 -49.895 -2.860 1.00 64.31 C ATOM 1597 CG GLU A 101 12.649 -49.083 -2.457 1.00 2.45 C ATOM 1598 CD GLU A 101 13.882 -49.942 -2.253 1.00 11.12 C ATOM 1599 OE1 GLU A 101 14.183 -50.768 -3.139 1.00 43.24 O ATOM 1600 OE2 GLU A 101 14.545 -49.788 -1.206 1.00 4.41 O ATOM 0 H GLU A 101 9.403 -50.807 -3.935 1.00 43.21 H new ATOM 0 HA GLU A 101 9.824 -48.662 -2.144 1.00 53.22 H new ATOM 0 HB2 GLU A 101 11.218 -50.627 -2.081 1.00 64.31 H new ATOM 0 HB3 GLU A 101 11.659 -50.453 -3.768 1.00 64.31 H new ATOM 0 HG2 GLU A 101 12.854 -48.337 -3.225 1.00 2.45 H new ATOM 0 HG3 GLU A 101 12.432 -48.542 -1.536 1.00 2.45 H new ATOM 1607 N ALA A 102 10.426 -48.081 -5.311 1.00 31.25 N ATOM 1608 CA ALA A 102 10.721 -47.034 -6.281 1.00 61.40 C ATOM 1609 C ALA A 102 9.599 -46.003 -6.335 1.00 32.42 C ATOM 1610 O ALA A 102 9.771 -44.910 -6.874 1.00 61.12 O ATOM 1611 CB ALA A 102 10.950 -47.641 -7.658 1.00 0.53 C ATOM 0 H ALA A 102 10.149 -48.972 -5.723 1.00 31.25 H new ATOM 0 HA ALA A 102 11.631 -46.525 -5.964 1.00 61.40 H new ATOM 0 HB1 ALA A 102 11.169 -46.848 -8.373 1.00 0.53 H new ATOM 0 HB2 ALA A 102 11.790 -48.334 -7.615 1.00 0.53 H new ATOM 0 HB3 ALA A 102 10.054 -48.176 -7.973 1.00 0.53 H new ATOM 1617 N LYS A 103 8.448 -46.358 -5.773 1.00 62.30 N ATOM 1618 CA LYS A 103 7.297 -45.464 -5.756 1.00 74.20 C ATOM 1619 C LYS A 103 7.525 -44.301 -4.796 1.00 32.34 C ATOM 1620 O LYS A 103 7.106 -43.174 -5.060 1.00 72.30 O ATOM 1621 CB LYS A 103 6.035 -46.232 -5.354 1.00 41.50 C ATOM 1622 CG LYS A 103 4.746 -45.524 -5.733 1.00 52.41 C ATOM 1623 CD LYS A 103 4.162 -46.081 -7.020 1.00 55.44 C ATOM 1624 CE LYS A 103 4.377 -45.130 -8.188 1.00 2.43 C ATOM 1625 NZ LYS A 103 3.225 -44.204 -8.369 1.00 73.34 N ATOM 0 H LYS A 103 8.288 -47.259 -5.323 1.00 62.30 H new ATOM 0 HA LYS A 103 7.166 -45.062 -6.761 1.00 74.20 H new ATOM 0 HB2 LYS A 103 6.052 -47.215 -5.825 1.00 41.50 H new ATOM 0 HB3 LYS A 103 6.047 -46.395 -4.276 1.00 41.50 H new ATOM 0 HG2 LYS A 103 4.020 -45.631 -4.927 1.00 52.41 H new ATOM 0 HG3 LYS A 103 4.937 -44.457 -5.851 1.00 52.41 H new ATOM 0 HD2 LYS A 103 4.623 -47.043 -7.243 1.00 55.44 H new ATOM 0 HD3 LYS A 103 3.095 -46.262 -6.888 1.00 55.44 H new ATOM 0 HE2 LYS A 103 5.286 -44.551 -8.022 1.00 2.43 H new ATOM 0 HE3 LYS A 103 4.528 -45.705 -9.102 1.00 2.43 H new ATOM 0 HZ1 LYS A 103 3.410 -43.573 -9.174 1.00 73.34 H new ATOM 0 HZ2 LYS A 103 2.362 -44.755 -8.552 1.00 73.34 H new ATOM 0 HZ3 LYS A 103 3.097 -43.637 -7.507 1.00 73.34 H new ATOM 1639 N ARG A 104 8.192 -44.582 -3.681 1.00 63.43 N ATOM 1640 CA ARG A 104 8.476 -43.559 -2.682 1.00 62.41 C ATOM 1641 C ARG A 104 9.886 -43.002 -2.860 1.00 34.45 C ATOM 1642 O ARG A 104 10.133 -41.824 -2.607 1.00 2.24 O ATOM 1643 CB ARG A 104 8.317 -44.134 -1.273 1.00 60.23 C ATOM 1644 CG ARG A 104 9.090 -45.424 -1.051 1.00 1.22 C ATOM 1645 CD ARG A 104 8.158 -46.619 -0.933 1.00 35.12 C ATOM 1646 NE ARG A 104 7.328 -46.550 0.267 1.00 53.41 N ATOM 1647 CZ ARG A 104 6.240 -47.290 0.452 1.00 2.42 C ATOM 1648 NH1 ARG A 104 5.854 -48.151 -0.479 1.00 54.40 N ATOM 1649 NH2 ARG A 104 5.537 -47.169 1.571 1.00 21.41 N ATOM 0 H ARG A 104 8.546 -45.510 -3.447 1.00 63.43 H new ATOM 0 HA ARG A 104 7.763 -42.746 -2.818 1.00 62.41 H new ATOM 0 HB2 ARG A 104 8.649 -43.392 -0.547 1.00 60.23 H new ATOM 0 HB3 ARG A 104 7.260 -44.316 -1.081 1.00 60.23 H new ATOM 0 HG2 ARG A 104 9.782 -45.581 -1.878 1.00 1.22 H new ATOM 0 HG3 ARG A 104 9.690 -45.338 -0.145 1.00 1.22 H new ATOM 0 HD2 ARG A 104 7.518 -46.668 -1.814 1.00 35.12 H new ATOM 0 HD3 ARG A 104 8.746 -47.537 -0.915 1.00 35.12 H new ATOM 0 HE ARG A 104 7.598 -45.898 1.003 1.00 53.41 H new ATOM 0 HH11 ARG A 104 6.393 -48.247 -1.340 1.00 54.40 H new ATOM 0 HH12 ARG A 104 5.018 -48.718 -0.334 1.00 54.40 H new ATOM 0 HH21 ARG A 104 5.832 -46.508 2.289 1.00 21.41 H new ATOM 0 HH22 ARG A 104 4.702 -47.737 1.713 1.00 21.41 H new ATOM 1663 N GLN A 105 10.804 -43.859 -3.295 1.00 42.51 N ATOM 1664 CA GLN A 105 12.189 -43.452 -3.505 1.00 14.42 C ATOM 1665 C GLN A 105 12.293 -42.446 -4.647 1.00 24.22 C ATOM 1666 O GLN A 105 13.161 -41.574 -4.640 1.00 42.35 O ATOM 1667 CB GLN A 105 13.062 -44.672 -3.802 1.00 54.02 C ATOM 1668 CG GLN A 105 13.337 -45.535 -2.582 1.00 33.34 C ATOM 1669 CD GLN A 105 14.209 -44.837 -1.557 1.00 43.25 C ATOM 1670 OE1 GLN A 105 15.434 -44.960 -1.581 1.00 43.13 O ATOM 1671 NE2 GLN A 105 13.582 -44.098 -0.650 1.00 52.42 N ATOM 0 H GLN A 105 10.614 -44.838 -3.509 1.00 42.51 H new ATOM 0 HA GLN A 105 12.544 -42.975 -2.592 1.00 14.42 H new ATOM 0 HB2 GLN A 105 12.575 -45.280 -4.564 1.00 54.02 H new ATOM 0 HB3 GLN A 105 14.011 -44.336 -4.220 1.00 54.02 H new ATOM 0 HG2 GLN A 105 12.391 -45.814 -2.118 1.00 33.34 H new ATOM 0 HG3 GLN A 105 13.822 -46.459 -2.897 1.00 33.34 H new ATOM 0 HE21 GLN A 105 12.565 -44.024 -0.667 1.00 52.42 H new ATOM 0 HE22 GLN A 105 14.117 -43.604 0.064 1.00 52.42 H new ATOM 1680 N MET A 106 11.404 -42.575 -5.626 1.00 31.33 N ATOM 1681 CA MET A 106 11.397 -41.677 -6.774 1.00 55.24 C ATOM 1682 C MET A 106 11.151 -40.236 -6.336 1.00 73.54 C ATOM 1683 O MET A 106 11.968 -39.351 -6.593 1.00 14.14 O ATOM 1684 CB MET A 106 10.325 -42.107 -7.778 1.00 43.24 C ATOM 1685 CG MET A 106 10.261 -41.224 -9.014 1.00 64.23 C ATOM 1686 SD MET A 106 8.570 -40.877 -9.533 1.00 71.35 S ATOM 1687 CE MET A 106 7.915 -42.537 -9.684 1.00 34.44 C ATOM 0 H MET A 106 10.679 -43.293 -5.647 1.00 31.33 H new ATOM 0 HA MET A 106 12.375 -41.731 -7.252 1.00 55.24 H new ATOM 0 HB2 MET A 106 10.518 -43.135 -8.085 1.00 43.24 H new ATOM 0 HB3 MET A 106 9.353 -42.099 -7.285 1.00 43.24 H new ATOM 0 HG2 MET A 106 10.775 -40.284 -8.811 1.00 64.23 H new ATOM 0 HG3 MET A 106 10.795 -41.710 -9.831 1.00 64.23 H new ATOM 0 HE1 MET A 106 7.009 -42.517 -10.289 1.00 34.44 H new ATOM 0 HE2 MET A 106 8.656 -43.178 -10.161 1.00 34.44 H new ATOM 0 HE3 MET A 106 7.681 -42.927 -8.694 1.00 34.44 H new ATOM 1697 N LEU A 107 10.021 -40.009 -5.675 1.00 41.44 N ATOM 1698 CA LEU A 107 9.668 -38.675 -5.202 1.00 14.22 C ATOM 1699 C LEU A 107 10.773 -38.099 -4.322 1.00 54.43 C ATOM 1700 O LEU A 107 10.933 -36.881 -4.225 1.00 64.53 O ATOM 1701 CB LEU A 107 8.352 -38.721 -4.423 1.00 11.13 C ATOM 1702 CG LEU A 107 8.061 -37.518 -3.524 1.00 64.32 C ATOM 1703 CD1 LEU A 107 6.594 -37.130 -3.610 1.00 35.22 C ATOM 1704 CD2 LEU A 107 8.452 -37.821 -2.085 1.00 32.21 C ATOM 0 H LEU A 107 9.334 -40.730 -5.455 1.00 41.44 H new ATOM 0 HA LEU A 107 9.547 -38.028 -6.071 1.00 14.22 H new ATOM 0 HB2 LEU A 107 7.534 -38.822 -5.136 1.00 11.13 H new ATOM 0 HB3 LEU A 107 8.350 -39.619 -3.806 1.00 11.13 H new ATOM 0 HG LEU A 107 8.659 -36.675 -3.872 1.00 64.32 H new ATOM 0 HD11 LEU A 107 6.406 -36.273 -2.964 1.00 35.22 H new ATOM 0 HD12 LEU A 107 6.346 -36.870 -4.639 1.00 35.22 H new ATOM 0 HD13 LEU A 107 5.976 -37.969 -3.289 1.00 35.22 H new ATOM 0 HD21 LEU A 107 8.238 -36.954 -1.460 1.00 32.21 H new ATOM 0 HD22 LEU A 107 7.882 -38.677 -1.726 1.00 32.21 H new ATOM 0 HD23 LEU A 107 9.517 -38.049 -2.038 1.00 32.21 H new ATOM 1716 N THR A 108 11.535 -38.981 -3.684 1.00 35.34 N ATOM 1717 CA THR A 108 12.625 -38.561 -2.813 1.00 63.11 C ATOM 1718 C THR A 108 13.669 -37.763 -3.586 1.00 1.12 C ATOM 1719 O THR A 108 14.387 -36.944 -3.013 1.00 22.11 O ATOM 1720 CB THR A 108 13.309 -39.769 -2.147 1.00 25.54 C ATOM 1721 OG1 THR A 108 12.326 -40.730 -1.745 1.00 52.52 O ATOM 1722 CG2 THR A 108 14.122 -39.332 -0.937 1.00 72.10 C ATOM 0 H THR A 108 11.417 -39.992 -3.754 1.00 35.34 H new ATOM 0 HA THR A 108 12.187 -37.929 -2.040 1.00 63.11 H new ATOM 0 HB THR A 108 13.983 -40.222 -2.874 1.00 25.54 H new ATOM 0 HG1 THR A 108 11.755 -40.954 -2.510 1.00 52.52 H new ATOM 0 HG21 THR A 108 14.596 -40.203 -0.483 1.00 72.10 H new ATOM 0 HG22 THR A 108 14.889 -38.624 -1.250 1.00 72.10 H new ATOM 0 HG23 THR A 108 13.464 -38.856 -0.209 1.00 72.10 H new ATOM 1730 N ALA A 109 13.747 -38.007 -4.890 1.00 3.50 N ATOM 1731 CA ALA A 109 14.702 -37.308 -5.742 1.00 11.03 C ATOM 1732 C ALA A 109 14.120 -35.996 -6.257 1.00 42.01 C ATOM 1733 O ALA A 109 14.805 -34.973 -6.291 1.00 74.41 O ATOM 1734 CB ALA A 109 15.119 -38.195 -6.905 1.00 25.52 C ATOM 0 H ALA A 109 13.161 -38.683 -5.380 1.00 3.50 H new ATOM 0 HA ALA A 109 15.583 -37.075 -5.144 1.00 11.03 H new ATOM 0 HB1 ALA A 109 15.832 -37.661 -7.533 1.00 25.52 H new ATOM 0 HB2 ALA A 109 15.583 -39.104 -6.521 1.00 25.52 H new ATOM 0 HB3 ALA A 109 14.241 -38.457 -7.495 1.00 25.52 H new ATOM 1740 N SER A 110 12.853 -36.033 -6.658 1.00 45.31 N ATOM 1741 CA SER A 110 12.181 -34.847 -7.176 1.00 61.14 C ATOM 1742 C SER A 110 12.260 -33.697 -6.177 1.00 24.10 C ATOM 1743 O SER A 110 12.684 -32.592 -6.517 1.00 11.21 O ATOM 1744 CB SER A 110 10.718 -35.162 -7.493 1.00 70.25 C ATOM 1745 OG SER A 110 9.869 -34.102 -7.089 1.00 32.41 O ATOM 0 H SER A 110 12.272 -36.871 -6.634 1.00 45.31 H new ATOM 0 HA SER A 110 12.688 -34.544 -8.092 1.00 61.14 H new ATOM 0 HB2 SER A 110 10.604 -35.336 -8.563 1.00 70.25 H new ATOM 0 HB3 SER A 110 10.423 -36.081 -6.987 1.00 70.25 H new ATOM 0 HG SER A 110 9.331 -34.388 -6.321 1.00 32.41 H new ATOM 1751 N HIS A 111 11.850 -33.966 -4.942 1.00 14.44 N ATOM 1752 CA HIS A 111 11.874 -32.954 -3.891 1.00 21.10 C ATOM 1753 C HIS A 111 13.275 -32.371 -3.731 1.00 53.41 C ATOM 1754 O HIS A 111 13.436 -31.201 -3.382 1.00 51.43 O ATOM 1755 CB HIS A 111 11.404 -33.554 -2.565 1.00 45.13 C ATOM 1756 CG HIS A 111 11.174 -32.533 -1.494 1.00 53.22 C ATOM 1757 ND1 HIS A 111 10.976 -32.863 -0.170 1.00 3.40 N ATOM 1758 CD2 HIS A 111 11.111 -31.182 -1.557 1.00 61.24 C ATOM 1759 CE1 HIS A 111 10.801 -31.759 0.535 1.00 74.22 C ATOM 1760 NE2 HIS A 111 10.878 -30.725 -0.284 1.00 22.35 N ATOM 0 H HIS A 111 11.497 -34.875 -4.644 1.00 14.44 H new ATOM 0 HA HIS A 111 11.196 -32.151 -4.178 1.00 21.10 H new ATOM 0 HB2 HIS A 111 10.480 -34.107 -2.733 1.00 45.13 H new ATOM 0 HB3 HIS A 111 12.146 -34.272 -2.217 1.00 45.13 H new ATOM 0 HD2 HIS A 111 11.223 -30.576 -2.444 1.00 61.24 H new ATOM 0 HE1 HIS A 111 10.625 -31.710 1.599 1.00 74.22 H new ATOM 0 HE2 HIS A 111 10.780 -29.746 -0.014 1.00 22.35 H new ATOM 1768 N THR A 112 14.287 -33.194 -3.988 1.00 14.12 N ATOM 1769 CA THR A 112 15.673 -32.761 -3.871 1.00 1.33 C ATOM 1770 C THR A 112 15.921 -31.489 -4.674 1.00 4.25 C ATOM 1771 O THR A 112 16.592 -30.568 -4.205 1.00 52.32 O ATOM 1772 CB THR A 112 16.646 -33.855 -4.350 1.00 11.34 C ATOM 1773 OG1 THR A 112 16.204 -35.138 -3.892 1.00 3.42 O ATOM 1774 CG2 THR A 112 18.054 -33.587 -3.841 1.00 45.43 C ATOM 0 H THR A 112 14.172 -34.165 -4.279 1.00 14.12 H new ATOM 0 HA THR A 112 15.854 -32.562 -2.815 1.00 1.33 H new ATOM 0 HB THR A 112 16.662 -33.844 -5.440 1.00 11.34 H new ATOM 0 HG1 THR A 112 16.954 -35.769 -3.913 1.00 3.42 H new ATOM 0 HG21 THR A 112 18.723 -34.372 -4.192 1.00 45.43 H new ATOM 0 HG22 THR A 112 18.399 -32.623 -4.215 1.00 45.43 H new ATOM 0 HG23 THR A 112 18.050 -33.573 -2.751 1.00 45.43 H new ATOM 1782 N LEU A 113 15.377 -31.444 -5.884 1.00 40.44 N ATOM 1783 CA LEU A 113 15.539 -30.283 -6.753 1.00 51.21 C ATOM 1784 C LEU A 113 15.088 -29.008 -6.048 1.00 3.32 C ATOM 1785 O LEU A 113 15.570 -27.916 -6.350 1.00 22.35 O ATOM 1786 CB LEU A 113 14.743 -30.473 -8.045 1.00 74.22 C ATOM 1787 CG LEU A 113 15.297 -31.503 -9.030 1.00 44.11 C ATOM 1788 CD1 LEU A 113 14.729 -32.882 -8.737 1.00 33.51 C ATOM 1789 CD2 LEU A 113 14.990 -31.091 -10.462 1.00 40.43 C ATOM 0 H LEU A 113 14.820 -32.198 -6.287 1.00 40.44 H new ATOM 0 HA LEU A 113 16.597 -30.187 -6.996 1.00 51.21 H new ATOM 0 HB2 LEU A 113 13.726 -30.762 -7.782 1.00 74.22 H new ATOM 0 HB3 LEU A 113 14.679 -29.511 -8.554 1.00 74.22 H new ATOM 0 HG LEU A 113 16.379 -31.546 -8.910 1.00 44.11 H new ATOM 0 HD11 LEU A 113 15.135 -33.601 -9.448 1.00 33.51 H new ATOM 0 HD12 LEU A 113 15.001 -33.180 -7.724 1.00 33.51 H new ATOM 0 HD13 LEU A 113 13.643 -32.855 -8.828 1.00 33.51 H new ATOM 0 HD21 LEU A 113 15.392 -31.836 -11.149 1.00 40.43 H new ATOM 0 HD22 LEU A 113 13.911 -31.018 -10.596 1.00 40.43 H new ATOM 0 HD23 LEU A 113 15.447 -30.123 -10.668 1.00 40.43 H new ATOM 1801 N ALA A 114 14.163 -29.154 -5.106 1.00 34.34 N ATOM 1802 CA ALA A 114 13.650 -28.015 -4.354 1.00 62.22 C ATOM 1803 C ALA A 114 14.381 -27.861 -3.025 1.00 31.13 C ATOM 1804 O ALA A 114 14.606 -26.746 -2.554 1.00 34.02 O ATOM 1805 CB ALA A 114 12.154 -28.166 -4.122 1.00 41.11 C ATOM 0 H ALA A 114 13.753 -30.051 -4.845 1.00 34.34 H new ATOM 0 HA ALA A 114 13.826 -27.114 -4.942 1.00 62.22 H new ATOM 0 HB1 ALA A 114 11.785 -27.309 -3.559 1.00 41.11 H new ATOM 0 HB2 ALA A 114 11.640 -28.219 -5.082 1.00 41.11 H new ATOM 0 HB3 ALA A 114 11.964 -29.079 -3.558 1.00 41.11 H new ATOM 1811 N VAL A 115 14.749 -28.988 -2.423 1.00 1.21 N ATOM 1812 CA VAL A 115 15.455 -28.978 -1.147 1.00 51.32 C ATOM 1813 C VAL A 115 16.684 -28.078 -1.206 1.00 64.25 C ATOM 1814 O VAL A 115 17.097 -27.506 -0.197 1.00 53.25 O ATOM 1815 CB VAL A 115 15.890 -30.397 -0.735 1.00 51.33 C ATOM 1816 CG1 VAL A 115 16.657 -30.360 0.578 1.00 73.21 C ATOM 1817 CG2 VAL A 115 14.681 -31.315 -0.631 1.00 45.31 C ATOM 0 H VAL A 115 14.570 -29.919 -2.799 1.00 1.21 H new ATOM 0 HA VAL A 115 14.759 -28.589 -0.403 1.00 51.32 H new ATOM 0 HB VAL A 115 16.553 -30.793 -1.504 1.00 51.33 H new ATOM 0 HG11 VAL A 115 16.956 -31.371 0.853 1.00 73.21 H new ATOM 0 HG12 VAL A 115 17.544 -29.738 0.464 1.00 73.21 H new ATOM 0 HG13 VAL A 115 16.021 -29.945 1.359 1.00 73.21 H new ATOM 0 HG21 VAL A 115 15.006 -32.313 -0.339 1.00 45.31 H new ATOM 0 HG22 VAL A 115 13.991 -30.925 0.117 1.00 45.31 H new ATOM 0 HG23 VAL A 115 14.178 -31.365 -1.597 1.00 45.31 H new ATOM 1827 N ASP A 116 17.266 -27.958 -2.395 1.00 14.31 N ATOM 1828 CA ASP A 116 18.448 -27.126 -2.587 1.00 70.00 C ATOM 1829 C ASP A 116 18.054 -25.689 -2.914 1.00 2.12 C ATOM 1830 O ASP A 116 18.788 -24.749 -2.610 1.00 25.43 O ATOM 1831 CB ASP A 116 19.322 -27.695 -3.706 1.00 31.44 C ATOM 1832 CG ASP A 116 20.783 -27.325 -3.544 1.00 22.52 C ATOM 1833 OD1 ASP A 116 21.317 -27.494 -2.428 1.00 3.11 O ATOM 1834 OD2 ASP A 116 21.393 -26.867 -4.533 1.00 15.31 O ATOM 0 H ASP A 116 16.938 -28.426 -3.240 1.00 14.31 H new ATOM 0 HA ASP A 116 19.016 -27.125 -1.657 1.00 70.00 H new ATOM 0 HB2 ASP A 116 19.225 -28.781 -3.723 1.00 31.44 H new ATOM 0 HB3 ASP A 116 18.962 -27.328 -4.667 1.00 31.44 H new ATOM 1839 N ALA A 117 16.891 -25.526 -3.536 1.00 21.32 N ATOM 1840 CA ALA A 117 16.399 -24.204 -3.903 1.00 65.10 C ATOM 1841 C ALA A 117 16.380 -23.271 -2.697 1.00 62.10 C ATOM 1842 O ALA A 117 16.665 -22.079 -2.816 1.00 61.32 O ATOM 1843 CB ALA A 117 15.010 -24.309 -4.514 1.00 50.31 C ATOM 0 H ALA A 117 16.272 -26.294 -3.796 1.00 21.32 H new ATOM 0 HA ALA A 117 17.079 -23.783 -4.644 1.00 65.10 H new ATOM 0 HB1 ALA A 117 14.655 -23.314 -4.783 1.00 50.31 H new ATOM 0 HB2 ALA A 117 15.051 -24.934 -5.406 1.00 50.31 H new ATOM 0 HB3 ALA A 117 14.327 -24.755 -3.791 1.00 50.31 H new ATOM 1849 N LYS A 118 16.042 -23.820 -1.535 1.00 71.34 N ATOM 1850 CA LYS A 118 15.986 -23.038 -0.306 1.00 54.02 C ATOM 1851 C LYS A 118 17.383 -22.823 0.267 1.00 71.45 C ATOM 1852 O LYS A 118 17.773 -21.697 0.571 1.00 35.03 O ATOM 1853 CB LYS A 118 15.101 -23.738 0.728 1.00 51.30 C ATOM 1854 CG LYS A 118 14.299 -22.779 1.590 1.00 14.15 C ATOM 1855 CD LYS A 118 13.243 -22.047 0.778 1.00 65.32 C ATOM 1856 CE LYS A 118 12.129 -21.513 1.664 1.00 0.40 C ATOM 1857 NZ LYS A 118 12.531 -20.263 2.368 1.00 60.24 N ATOM 0 H LYS A 118 15.803 -24.805 -1.419 1.00 71.34 H new ATOM 0 HA LYS A 118 15.557 -22.065 -0.544 1.00 54.02 H new ATOM 0 HB2 LYS A 118 14.415 -24.410 0.212 1.00 51.30 H new ATOM 0 HB3 LYS A 118 15.727 -24.355 1.372 1.00 51.30 H new ATOM 0 HG2 LYS A 118 13.820 -23.330 2.399 1.00 14.15 H new ATOM 0 HG3 LYS A 118 14.971 -22.055 2.052 1.00 14.15 H new ATOM 0 HD2 LYS A 118 13.706 -21.222 0.237 1.00 65.32 H new ATOM 0 HD3 LYS A 118 12.824 -22.722 0.032 1.00 65.32 H new ATOM 0 HE2 LYS A 118 11.244 -21.320 1.058 1.00 0.40 H new ATOM 0 HE3 LYS A 118 11.854 -22.271 2.398 1.00 0.40 H new ATOM 0 HZ1 LYS A 118 11.744 -19.931 2.962 1.00 60.24 H new ATOM 0 HZ2 LYS A 118 13.360 -20.453 2.966 1.00 60.24 H new ATOM 0 HZ3 LYS A 118 12.769 -19.532 1.668 1.00 60.24 H new ATOM 1871 N ASN A 119 18.133 -23.911 0.409 1.00 72.53 N ATOM 1872 CA ASN A 119 19.488 -23.841 0.944 1.00 34.41 C ATOM 1873 C ASN A 119 20.346 -22.879 0.129 1.00 54.41 C ATOM 1874 O ASN A 119 21.317 -22.315 0.634 1.00 24.43 O ATOM 1875 CB ASN A 119 20.128 -25.231 0.952 1.00 73.12 C ATOM 1876 CG ASN A 119 19.212 -26.286 1.543 1.00 44.03 C ATOM 1877 OD1 ASN A 119 18.287 -25.972 2.291 1.00 11.14 O ATOM 1878 ND2 ASN A 119 19.468 -27.545 1.208 1.00 31.41 N ATOM 0 H ASN A 119 17.825 -24.851 0.161 1.00 72.53 H new ATOM 0 HA ASN A 119 19.429 -23.469 1.967 1.00 34.41 H new ATOM 0 HB2 ASN A 119 20.392 -25.512 -0.067 1.00 73.12 H new ATOM 0 HB3 ASN A 119 21.056 -25.198 1.523 1.00 73.12 H new ATOM 0 HD21 ASN A 119 18.886 -28.299 1.574 1.00 31.41 H new ATOM 0 HD22 ASN A 119 20.246 -27.759 0.584 1.00 31.41 H new ATOM 1885 N LEU A 120 19.980 -22.694 -1.135 1.00 14.23 N ATOM 1886 CA LEU A 120 20.715 -21.798 -2.021 1.00 72.31 C ATOM 1887 C LEU A 120 20.219 -20.363 -1.879 1.00 12.14 C ATOM 1888 O LEU A 120 21.005 -19.416 -1.919 1.00 44.13 O ATOM 1889 CB LEU A 120 20.573 -22.257 -3.473 1.00 45.05 C ATOM 1890 CG LEU A 120 21.346 -21.444 -4.512 1.00 42.35 C ATOM 1891 CD1 LEU A 120 20.560 -20.205 -4.912 1.00 45.45 C ATOM 1892 CD2 LEU A 120 22.717 -21.058 -3.976 1.00 20.11 C ATOM 0 H LEU A 120 19.179 -23.152 -1.569 1.00 14.23 H new ATOM 0 HA LEU A 120 21.767 -21.828 -1.737 1.00 72.31 H new ATOM 0 HB2 LEU A 120 20.898 -23.295 -3.538 1.00 45.05 H new ATOM 0 HB3 LEU A 120 19.516 -22.237 -3.738 1.00 45.05 H new ATOM 0 HG LEU A 120 21.486 -22.063 -5.398 1.00 42.35 H new ATOM 0 HD11 LEU A 120 21.125 -19.639 -5.652 1.00 45.45 H new ATOM 0 HD12 LEU A 120 19.602 -20.504 -5.338 1.00 45.45 H new ATOM 0 HD13 LEU A 120 20.388 -19.584 -4.033 1.00 45.45 H new ATOM 0 HD21 LEU A 120 23.253 -20.480 -4.729 1.00 20.11 H new ATOM 0 HD22 LEU A 120 22.599 -20.458 -3.074 1.00 20.11 H new ATOM 0 HD23 LEU A 120 23.283 -21.960 -3.741 1.00 20.11 H new ATOM 1904 N LEU A 121 18.910 -20.209 -1.709 1.00 43.12 N ATOM 1905 CA LEU A 121 18.309 -18.889 -1.558 1.00 14.41 C ATOM 1906 C LEU A 121 18.967 -18.118 -0.418 1.00 52.42 C ATOM 1907 O LEU A 121 18.998 -16.887 -0.424 1.00 54.15 O ATOM 1908 CB LEU A 121 16.806 -19.018 -1.301 1.00 2.52 C ATOM 1909 CG LEU A 121 16.110 -17.772 -0.750 1.00 61.33 C ATOM 1910 CD1 LEU A 121 16.296 -16.595 -1.695 1.00 23.21 C ATOM 1911 CD2 LEU A 121 14.631 -18.046 -0.521 1.00 12.31 C ATOM 0 H LEU A 121 18.245 -20.982 -1.672 1.00 43.12 H new ATOM 0 HA LEU A 121 18.467 -18.337 -2.484 1.00 14.41 H new ATOM 0 HB2 LEU A 121 16.320 -19.297 -2.236 1.00 2.52 H new ATOM 0 HB3 LEU A 121 16.646 -19.838 -0.601 1.00 2.52 H new ATOM 0 HG LEU A 121 16.565 -17.518 0.207 1.00 61.33 H new ATOM 0 HD11 LEU A 121 15.794 -15.718 -1.287 1.00 23.21 H new ATOM 0 HD12 LEU A 121 17.359 -16.385 -1.809 1.00 23.21 H new ATOM 0 HD13 LEU A 121 15.868 -16.838 -2.667 1.00 23.21 H new ATOM 0 HD21 LEU A 121 14.151 -17.149 -0.129 1.00 12.31 H new ATOM 0 HD22 LEU A 121 14.162 -18.325 -1.465 1.00 12.31 H new ATOM 0 HD23 LEU A 121 14.518 -18.860 0.195 1.00 12.31 H new ATOM 1923 N ASP A 122 19.494 -18.849 0.557 1.00 33.43 N ATOM 1924 CA ASP A 122 20.155 -18.235 1.703 1.00 52.34 C ATOM 1925 C ASP A 122 21.508 -17.655 1.302 1.00 30.34 C ATOM 1926 O ASP A 122 21.785 -16.479 1.537 1.00 34.42 O ATOM 1927 CB ASP A 122 20.336 -19.259 2.824 1.00 1.20 C ATOM 1928 CG ASP A 122 21.022 -18.670 4.041 1.00 44.33 C ATOM 1929 OD1 ASP A 122 20.894 -17.447 4.261 1.00 43.14 O ATOM 1930 OD2 ASP A 122 21.687 -19.432 4.773 1.00 11.44 O ATOM 0 H ASP A 122 19.477 -19.869 0.577 1.00 33.43 H new ATOM 0 HA ASP A 122 19.524 -17.423 2.064 1.00 52.34 H new ATOM 0 HB2 ASP A 122 19.361 -19.652 3.114 1.00 1.20 H new ATOM 0 HB3 ASP A 122 20.921 -20.100 2.453 1.00 1.20 H new ATOM 1935 N ALA A 123 22.348 -18.489 0.698 1.00 73.32 N ATOM 1936 CA ALA A 123 23.671 -18.060 0.264 1.00 4.34 C ATOM 1937 C ALA A 123 23.588 -16.793 -0.581 1.00 21.31 C ATOM 1938 O ALA A 123 24.365 -15.857 -0.393 1.00 12.14 O ATOM 1939 CB ALA A 123 24.359 -19.172 -0.514 1.00 54.10 C ATOM 0 H ALA A 123 22.135 -19.466 0.498 1.00 73.32 H new ATOM 0 HA ALA A 123 24.262 -17.835 1.152 1.00 4.34 H new ATOM 0 HB1 ALA A 123 25.346 -18.837 -0.832 1.00 54.10 H new ATOM 0 HB2 ALA A 123 24.462 -20.051 0.122 1.00 54.10 H new ATOM 0 HB3 ALA A 123 23.763 -19.426 -1.390 1.00 54.10 H new ATOM 1945 N VAL A 124 22.641 -16.771 -1.514 1.00 23.12 N ATOM 1946 CA VAL A 124 22.456 -15.619 -2.388 1.00 64.11 C ATOM 1947 C VAL A 124 21.973 -14.405 -1.603 1.00 20.13 C ATOM 1948 O VAL A 124 22.330 -13.269 -1.915 1.00 12.24 O ATOM 1949 CB VAL A 124 21.449 -15.924 -3.512 1.00 52.25 C ATOM 1950 CG1 VAL A 124 21.238 -14.698 -4.388 1.00 45.10 C ATOM 1951 CG2 VAL A 124 21.920 -17.108 -4.343 1.00 41.11 C ATOM 0 H VAL A 124 21.990 -17.538 -1.684 1.00 23.12 H new ATOM 0 HA VAL A 124 23.427 -15.398 -2.830 1.00 64.11 H new ATOM 0 HB VAL A 124 20.493 -16.185 -3.058 1.00 52.25 H new ATOM 0 HG11 VAL A 124 20.523 -14.933 -5.177 1.00 45.10 H new ATOM 0 HG12 VAL A 124 20.852 -13.879 -3.781 1.00 45.10 H new ATOM 0 HG13 VAL A 124 22.187 -14.402 -4.835 1.00 45.10 H new ATOM 0 HG21 VAL A 124 21.196 -17.309 -5.133 1.00 41.11 H new ATOM 0 HG22 VAL A 124 22.888 -16.878 -4.788 1.00 41.11 H new ATOM 0 HG23 VAL A 124 22.014 -17.986 -3.704 1.00 41.11 H new ATOM 1961 N ASP A 125 21.160 -14.653 -0.582 1.00 74.42 N ATOM 1962 CA ASP A 125 20.628 -13.581 0.250 1.00 12.51 C ATOM 1963 C ASP A 125 21.756 -12.749 0.851 1.00 4.24 C ATOM 1964 O ASP A 125 21.594 -11.555 1.103 1.00 72.14 O ATOM 1965 CB ASP A 125 19.753 -14.157 1.364 1.00 13.34 C ATOM 1966 CG ASP A 125 18.836 -13.116 1.977 1.00 75.33 C ATOM 1967 OD1 ASP A 125 18.203 -12.360 1.211 1.00 13.32 O ATOM 1968 OD2 ASP A 125 18.751 -13.058 3.222 1.00 62.24 O ATOM 0 H ASP A 125 20.855 -15.588 -0.311 1.00 74.42 H new ATOM 0 HA ASP A 125 20.019 -12.933 -0.381 1.00 12.51 H new ATOM 0 HB2 ASP A 125 19.154 -14.975 0.965 1.00 13.34 H new ATOM 0 HB3 ASP A 125 20.390 -14.579 2.141 1.00 13.34 H new ATOM 1973 N GLN A 126 22.899 -13.388 1.080 1.00 31.41 N ATOM 1974 CA GLN A 126 24.053 -12.707 1.654 1.00 65.33 C ATOM 1975 C GLN A 126 24.981 -12.192 0.558 1.00 10.33 C ATOM 1976 O GLN A 126 25.510 -11.085 0.650 1.00 5.31 O ATOM 1977 CB GLN A 126 24.818 -13.650 2.584 1.00 63.50 C ATOM 1978 CG GLN A 126 26.237 -13.193 2.881 1.00 22.24 C ATOM 1979 CD GLN A 126 26.637 -13.431 4.324 1.00 33.03 C ATOM 1980 OE1 GLN A 126 27.121 -12.526 5.004 1.00 40.52 O ATOM 1981 NE2 GLN A 126 26.435 -14.654 4.801 1.00 62.03 N ATOM 0 H GLN A 126 23.050 -14.376 0.877 1.00 31.41 H new ATOM 0 HA GLN A 126 23.691 -11.855 2.230 1.00 65.33 H new ATOM 0 HB2 GLN A 126 24.271 -13.744 3.522 1.00 63.50 H new ATOM 0 HB3 GLN A 126 24.851 -14.642 2.134 1.00 63.50 H new ATOM 0 HG2 GLN A 126 26.929 -13.720 2.224 1.00 22.24 H new ATOM 0 HG3 GLN A 126 26.328 -12.131 2.653 1.00 22.24 H new ATOM 0 HE21 GLN A 126 26.031 -15.375 4.203 1.00 62.03 H new ATOM 0 HE22 GLN A 126 26.684 -14.873 5.766 1.00 62.03 H new ATOM 1990 N ALA A 127 25.173 -13.002 -0.477 1.00 62.13 N ATOM 1991 CA ALA A 127 26.035 -12.627 -1.591 1.00 65.00 C ATOM 1992 C ALA A 127 25.504 -11.388 -2.303 1.00 42.25 C ATOM 1993 O ALA A 127 26.272 -10.515 -2.709 1.00 11.20 O ATOM 1994 CB ALA A 127 26.168 -13.785 -2.569 1.00 55.34 C ATOM 0 H ALA A 127 24.743 -13.923 -0.568 1.00 62.13 H new ATOM 0 HA ALA A 127 27.021 -12.389 -1.191 1.00 65.00 H new ATOM 0 HB1 ALA A 127 26.814 -13.491 -3.396 1.00 55.34 H new ATOM 0 HB2 ALA A 127 26.601 -14.645 -2.058 1.00 55.34 H new ATOM 0 HB3 ALA A 127 25.184 -14.050 -2.955 1.00 55.34 H new ATOM 2000 N LYS A 128 24.186 -11.317 -2.454 1.00 31.03 N ATOM 2001 CA LYS A 128 23.551 -10.185 -3.117 1.00 13.52 C ATOM 2002 C LYS A 128 23.807 -8.891 -2.350 1.00 34.23 C ATOM 2003 O LYS A 128 23.769 -7.801 -2.921 1.00 30.14 O ATOM 2004 CB LYS A 128 22.045 -10.423 -3.248 1.00 14.14 C ATOM 2005 CG LYS A 128 21.430 -9.774 -4.476 1.00 4.54 C ATOM 2006 CD LYS A 128 21.036 -10.809 -5.515 1.00 54.13 C ATOM 2007 CE LYS A 128 22.251 -11.541 -6.062 1.00 63.42 C ATOM 2008 NZ LYS A 128 23.188 -10.618 -6.760 1.00 10.41 N ATOM 0 H LYS A 128 23.536 -12.031 -2.126 1.00 31.03 H new ATOM 0 HA LYS A 128 23.985 -10.089 -4.112 1.00 13.52 H new ATOM 0 HB2 LYS A 128 21.857 -11.496 -3.282 1.00 14.14 H new ATOM 0 HB3 LYS A 128 21.547 -10.040 -2.357 1.00 14.14 H new ATOM 0 HG2 LYS A 128 20.552 -9.198 -4.183 1.00 4.54 H new ATOM 0 HG3 LYS A 128 22.141 -9.072 -4.912 1.00 4.54 H new ATOM 0 HD2 LYS A 128 20.347 -11.527 -5.071 1.00 54.13 H new ATOM 0 HD3 LYS A 128 20.505 -10.321 -6.333 1.00 54.13 H new ATOM 0 HE2 LYS A 128 22.773 -12.039 -5.245 1.00 63.42 H new ATOM 0 HE3 LYS A 128 21.926 -12.319 -6.753 1.00 63.42 H new ATOM 0 HZ1 LYS A 128 23.413 -10.998 -7.701 1.00 10.41 H new ATOM 0 HZ2 LYS A 128 22.743 -9.683 -6.862 1.00 10.41 H new ATOM 0 HZ3 LYS A 128 24.063 -10.527 -6.205 1.00 10.41 H new ATOM 2022 N VAL A 129 24.068 -9.020 -1.053 1.00 5.42 N ATOM 2023 CA VAL A 129 24.333 -7.861 -0.208 1.00 24.20 C ATOM 2024 C VAL A 129 25.830 -7.594 -0.096 1.00 41.50 C ATOM 2025 O VAL A 129 26.256 -6.453 0.089 1.00 11.42 O ATOM 2026 CB VAL A 129 23.750 -8.052 1.205 1.00 40.53 C ATOM 2027 CG1 VAL A 129 24.054 -6.842 2.076 1.00 52.15 C ATOM 2028 CG2 VAL A 129 22.252 -8.304 1.132 1.00 14.13 C ATOM 0 H VAL A 129 24.102 -9.915 -0.565 1.00 5.42 H new ATOM 0 HA VAL A 129 23.848 -7.007 -0.681 1.00 24.20 H new ATOM 0 HB VAL A 129 24.221 -8.924 1.660 1.00 40.53 H new ATOM 0 HG11 VAL A 129 23.634 -6.995 3.070 1.00 52.15 H new ATOM 0 HG12 VAL A 129 25.133 -6.712 2.154 1.00 52.15 H new ATOM 0 HG13 VAL A 129 23.612 -5.952 1.629 1.00 52.15 H new ATOM 0 HG21 VAL A 129 21.856 -8.437 2.139 1.00 14.13 H new ATOM 0 HG22 VAL A 129 21.762 -7.453 0.659 1.00 14.13 H new ATOM 0 HG23 VAL A 129 22.062 -9.203 0.546 1.00 14.13 H new ATOM 2038 N LEU A 130 26.625 -8.652 -0.210 1.00 52.10 N ATOM 2039 CA LEU A 130 28.076 -8.532 -0.122 1.00 40.03 C ATOM 2040 C LEU A 130 28.664 -8.054 -1.446 1.00 11.50 C ATOM 2041 O LEU A 130 29.737 -7.452 -1.479 1.00 13.45 O ATOM 2042 CB LEU A 130 28.696 -9.875 0.268 1.00 12.13 C ATOM 2043 CG LEU A 130 28.963 -10.082 1.759 1.00 24.24 C ATOM 2044 CD1 LEU A 130 30.190 -9.297 2.196 1.00 44.33 C ATOM 2045 CD2 LEU A 130 27.748 -9.677 2.581 1.00 44.42 C ATOM 0 H LEU A 130 26.289 -9.603 -0.364 1.00 52.10 H new ATOM 0 HA LEU A 130 28.309 -7.794 0.646 1.00 40.03 H new ATOM 0 HB2 LEU A 130 28.036 -10.671 -0.077 1.00 12.13 H new ATOM 0 HB3 LEU A 130 29.638 -9.987 -0.269 1.00 12.13 H new ATOM 0 HG LEU A 130 29.155 -11.141 1.930 1.00 24.24 H new ATOM 0 HD11 LEU A 130 30.364 -9.457 3.260 1.00 44.33 H new ATOM 0 HD12 LEU A 130 31.059 -9.636 1.631 1.00 44.33 H new ATOM 0 HD13 LEU A 130 30.028 -8.235 2.010 1.00 44.33 H new ATOM 0 HD21 LEU A 130 27.957 -9.831 3.640 1.00 44.42 H new ATOM 0 HD22 LEU A 130 27.524 -8.625 2.405 1.00 44.42 H new ATOM 0 HD23 LEU A 130 26.892 -10.284 2.288 1.00 44.42 H new ATOM 2057 N ALA A 131 27.952 -8.324 -2.536 1.00 5.25 N ATOM 2058 CA ALA A 131 28.401 -7.917 -3.861 1.00 65.23 C ATOM 2059 C ALA A 131 28.420 -6.398 -3.993 1.00 22.03 C ATOM 2060 O ALA A 131 29.342 -5.827 -4.573 1.00 63.34 O ATOM 2061 CB ALA A 131 27.511 -8.530 -4.931 1.00 75.54 C ATOM 0 H ALA A 131 27.062 -8.823 -2.527 1.00 5.25 H new ATOM 0 HA ALA A 131 29.420 -8.280 -3.999 1.00 65.23 H new ATOM 0 HB1 ALA A 131 27.858 -8.217 -5.916 1.00 75.54 H new ATOM 0 HB2 ALA A 131 27.552 -9.617 -4.860 1.00 75.54 H new ATOM 0 HB3 ALA A 131 26.484 -8.196 -4.785 1.00 75.54 H new