USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 26 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.1!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0666 K(o=-1.5,f=-5.2) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= -0.0968 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0235 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -143:sc= 0.657 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0166 (180deg=-0.162) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -70:sc= -1.05! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.0103 X(o=0.01,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 49 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.4!) USER MOD Single : A 51 HIS : no HD1:sc= -0.0885 X(o=-0.088,f=0.012) USER MOD Single : A 56 ASN : amide:sc= -0.863 X(o=-0.86,f=-0.8) USER MOD Single : A 59 THR OG1 : rot -100:sc= 0.00181 USER MOD Single : A 66 THR OG1 : rot -67:sc= 1.31 USER MOD Single : A 67 ASN : amide:sc= 0.0579 K(o=0.058,f=-8!) USER MOD Single : A 70 ASN : amide:sc= 0.354 K(o=0.35,f=-6.7!) USER MOD Single : A 79 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.025) USER MOD Single : A 93 HIS : no HD1:sc= 0.604 K(o=0.6,f=-2.5!) USER MOD Single : A 94 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.82) USER MOD Single : A 95 HIS : no HE2:sc= 0.163 K(o=0.16,f=-1.3) USER MOD Single : A 96 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.074) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.266 42.155 -16.371 1.00 23.34 N ATOM 2 CA GLY A 1 -15.878 41.085 -15.410 1.00 1.13 C ATOM 3 C GLY A 1 -16.792 39.870 -15.484 1.00 62.31 C ATOM 4 O GLY A 1 -17.962 39.991 -15.842 1.00 64.41 O ATOM 0 H1 GLY A 1 -15.674 42.087 -17.224 1.00 23.34 H new ATOM 0 H2 GLY A 1 -17.266 42.040 -16.633 1.00 23.34 H new ATOM 0 H3 GLY A 1 -16.129 43.086 -15.928 1.00 23.34 H new ATOM 0 HA2 GLY A 1 -14.852 40.776 -15.611 1.00 1.13 H new ATOM 0 HA3 GLY A 1 -15.897 41.488 -14.397 1.00 1.13 H new ATOM 10 N ASP A 2 -16.263 38.697 -15.144 1.00 45.54 N ATOM 11 CA ASP A 2 -17.039 37.454 -15.199 1.00 22.34 C ATOM 12 C ASP A 2 -17.954 37.281 -13.970 1.00 10.22 C ATOM 13 O ASP A 2 -17.868 38.036 -12.998 1.00 3.45 O ATOM 14 CB ASP A 2 -16.090 36.258 -15.342 1.00 43.23 C ATOM 15 CG ASP A 2 -15.525 36.147 -16.746 1.00 51.21 C ATOM 16 OD1 ASP A 2 -14.626 36.939 -17.099 1.00 34.34 O ATOM 17 OD2 ASP A 2 -15.995 35.280 -17.514 1.00 64.23 O ATOM 0 H ASP A 2 -15.301 38.578 -14.827 1.00 45.54 H new ATOM 0 HA ASP A 2 -17.691 37.506 -16.071 1.00 22.34 H new ATOM 0 HB2 ASP A 2 -15.272 36.357 -14.628 1.00 43.23 H new ATOM 0 HB3 ASP A 2 -16.622 35.340 -15.092 1.00 43.23 H new ATOM 22 N ARG A 3 -18.827 36.272 -14.019 1.00 14.41 N ATOM 23 CA ARG A 3 -19.806 36.034 -12.950 1.00 2.13 C ATOM 24 C ARG A 3 -19.557 34.686 -12.250 1.00 42.24 C ATOM 25 O ARG A 3 -19.538 33.634 -12.886 1.00 13.45 O ATOM 26 CB ARG A 3 -21.255 36.115 -13.485 1.00 52.33 C ATOM 27 CG ARG A 3 -21.507 35.432 -14.834 1.00 24.43 C ATOM 28 CD ARG A 3 -21.014 36.277 -16.012 1.00 72.11 C ATOM 29 NE ARG A 3 -21.463 35.752 -17.302 1.00 41.01 N ATOM 30 CZ ARG A 3 -20.707 35.647 -18.363 1.00 2.12 C ATOM 31 NH1 ARG A 3 -19.439 35.911 -18.303 1.00 45.24 N ATOM 32 NH2 ARG A 3 -21.224 35.254 -19.480 1.00 64.30 N ATOM 0 H ARG A 3 -18.878 35.604 -14.788 1.00 14.41 H new ATOM 0 HA ARG A 3 -19.676 36.824 -12.211 1.00 2.13 H new ATOM 0 HB2 ARG A 3 -21.921 35.672 -12.745 1.00 52.33 H new ATOM 0 HB3 ARG A 3 -21.531 37.166 -13.574 1.00 52.33 H new ATOM 0 HG2 ARG A 3 -21.006 34.464 -14.848 1.00 24.43 H new ATOM 0 HG3 ARG A 3 -22.574 35.240 -14.948 1.00 24.43 H new ATOM 0 HD2 ARG A 3 -21.370 37.301 -15.896 1.00 72.11 H new ATOM 0 HD3 ARG A 3 -19.925 36.315 -15.998 1.00 72.11 H new ATOM 0 HE ARG A 3 -22.433 35.447 -17.378 1.00 41.01 H new ATOM 0 HH11 ARG A 3 -19.020 36.205 -17.420 1.00 45.24 H new ATOM 0 HH12 ARG A 3 -18.860 35.825 -19.138 1.00 45.24 H new ATOM 0 HH21 ARG A 3 -22.217 35.028 -19.531 1.00 64.30 H new ATOM 0 HH22 ARG A 3 -20.639 35.170 -20.311 1.00 64.30 H new ATOM 46 N ARG A 4 -19.389 34.735 -10.927 1.00 52.43 N ATOM 47 CA ARG A 4 -18.999 33.557 -10.135 1.00 53.24 C ATOM 48 C ARG A 4 -20.223 32.773 -9.615 1.00 34.13 C ATOM 49 O ARG A 4 -20.080 31.824 -8.842 1.00 63.14 O ATOM 50 CB ARG A 4 -18.114 34.012 -8.950 1.00 73.22 C ATOM 51 CG ARG A 4 -16.807 33.231 -8.780 1.00 63.34 C ATOM 52 CD ARG A 4 -17.043 31.767 -8.422 1.00 24.22 C ATOM 53 NE ARG A 4 -15.804 31.106 -8.012 1.00 60.14 N ATOM 54 CZ ARG A 4 -15.686 29.826 -7.774 1.00 44.02 C ATOM 55 NH1 ARG A 4 -16.684 29.024 -7.932 1.00 41.52 N ATOM 56 NH2 ARG A 4 -14.556 29.350 -7.367 1.00 13.42 N ATOM 0 H ARG A 4 -19.517 35.583 -10.374 1.00 52.43 H new ATOM 0 HA ARG A 4 -18.440 32.883 -10.784 1.00 53.24 H new ATOM 0 HB2 ARG A 4 -17.875 35.067 -9.079 1.00 73.22 H new ATOM 0 HB3 ARG A 4 -18.693 33.927 -8.030 1.00 73.22 H new ATOM 0 HG2 ARG A 4 -16.231 33.287 -9.704 1.00 63.34 H new ATOM 0 HG3 ARG A 4 -16.206 33.700 -8.001 1.00 63.34 H new ATOM 0 HD2 ARG A 4 -17.774 31.702 -7.616 1.00 24.22 H new ATOM 0 HD3 ARG A 4 -17.467 31.246 -9.280 1.00 24.22 H new ATOM 0 HE ARG A 4 -14.972 31.686 -7.904 1.00 60.14 H new ATOM 0 HH11 ARG A 4 -17.584 29.386 -8.248 1.00 41.52 H new ATOM 0 HH12 ARG A 4 -16.573 28.028 -7.741 1.00 41.52 H new ATOM 0 HH21 ARG A 4 -13.759 29.972 -7.232 1.00 13.42 H new ATOM 0 HH22 ARG A 4 -14.461 28.352 -7.180 1.00 13.42 H new ATOM 70 N VAL A 5 -21.421 33.167 -10.041 1.00 64.30 N ATOM 71 CA VAL A 5 -22.657 32.508 -9.591 1.00 52.23 C ATOM 72 C VAL A 5 -22.776 31.066 -10.137 1.00 61.13 C ATOM 73 O VAL A 5 -23.354 30.824 -11.203 1.00 54.22 O ATOM 74 CB VAL A 5 -23.918 33.345 -9.967 1.00 23.31 C ATOM 75 CG1 VAL A 5 -23.975 33.624 -11.470 1.00 5.31 C ATOM 76 CG2 VAL A 5 -25.199 32.658 -9.487 1.00 10.44 C ATOM 0 H VAL A 5 -21.568 33.936 -10.695 1.00 64.30 H new ATOM 0 HA VAL A 5 -22.602 32.445 -8.504 1.00 52.23 H new ATOM 0 HB VAL A 5 -23.840 34.305 -9.456 1.00 23.31 H new ATOM 0 HG11 VAL A 5 -24.866 34.209 -11.698 1.00 5.31 H new ATOM 0 HG12 VAL A 5 -23.088 34.182 -11.770 1.00 5.31 H new ATOM 0 HG13 VAL A 5 -24.012 32.680 -12.014 1.00 5.31 H new ATOM 0 HG21 VAL A 5 -26.062 33.264 -9.763 1.00 10.44 H new ATOM 0 HG22 VAL A 5 -25.281 31.676 -9.952 1.00 10.44 H new ATOM 0 HG23 VAL A 5 -25.167 32.544 -8.403 1.00 10.44 H new ATOM 86 N ARG A 6 -22.197 30.112 -9.401 1.00 12.23 N ATOM 87 CA ARG A 6 -22.228 28.687 -9.782 1.00 41.13 C ATOM 88 C ARG A 6 -21.687 28.469 -11.207 1.00 1.54 C ATOM 89 O ARG A 6 -22.293 27.766 -12.022 1.00 43.32 O ATOM 90 CB ARG A 6 -23.655 28.117 -9.643 1.00 41.34 C ATOM 91 CG ARG A 6 -24.070 27.799 -8.204 1.00 23.31 C ATOM 92 CD ARG A 6 -24.137 29.040 -7.314 1.00 61.22 C ATOM 93 NE ARG A 6 -24.417 28.691 -5.920 1.00 43.02 N ATOM 94 CZ ARG A 6 -24.594 29.554 -4.955 1.00 11.13 C ATOM 95 NH1 ARG A 6 -24.583 30.829 -5.187 1.00 2.23 N ATOM 96 NH2 ARG A 6 -24.800 29.131 -3.751 1.00 22.32 N ATOM 0 H ARG A 6 -21.697 30.298 -8.532 1.00 12.23 H new ATOM 0 HA ARG A 6 -21.573 28.148 -9.098 1.00 41.13 H new ATOM 0 HB2 ARG A 6 -24.362 28.833 -10.063 1.00 41.34 H new ATOM 0 HB3 ARG A 6 -23.730 27.208 -10.240 1.00 41.34 H new ATOM 0 HG2 ARG A 6 -25.045 27.311 -8.212 1.00 23.31 H new ATOM 0 HG3 ARG A 6 -23.362 27.089 -7.776 1.00 23.31 H new ATOM 0 HD2 ARG A 6 -23.192 29.581 -7.371 1.00 61.22 H new ATOM 0 HD3 ARG A 6 -24.912 29.712 -7.684 1.00 61.22 H new ATOM 0 HE ARG A 6 -24.478 27.700 -5.685 1.00 43.02 H new ATOM 0 HH11 ARG A 6 -24.434 31.174 -6.135 1.00 2.23 H new ATOM 0 HH12 ARG A 6 -24.723 31.488 -4.421 1.00 2.23 H new ATOM 0 HH21 ARG A 6 -24.824 28.129 -3.559 1.00 22.32 H new ATOM 0 HH22 ARG A 6 -24.939 29.799 -2.993 1.00 22.32 H new ATOM 110 N LEU A 7 -20.531 29.066 -11.492 1.00 11.13 N ATOM 111 CA LEU A 7 -19.923 28.996 -12.828 1.00 42.24 C ATOM 112 C LEU A 7 -19.150 27.682 -13.043 1.00 43.35 C ATOM 113 O LEU A 7 -19.301 27.022 -14.074 1.00 24.32 O ATOM 114 CB LEU A 7 -18.983 30.195 -13.038 1.00 24.22 C ATOM 115 CG LEU A 7 -18.337 30.297 -14.434 1.00 43.44 C ATOM 116 CD1 LEU A 7 -19.405 30.451 -15.517 1.00 32.10 C ATOM 117 CD2 LEU A 7 -17.337 31.451 -14.489 1.00 4.52 C ATOM 0 H LEU A 7 -19.992 29.607 -10.816 1.00 11.13 H new ATOM 0 HA LEU A 7 -20.731 29.026 -13.559 1.00 42.24 H new ATOM 0 HB2 LEU A 7 -19.543 31.111 -12.849 1.00 24.22 H new ATOM 0 HB3 LEU A 7 -18.189 30.147 -12.292 1.00 24.22 H new ATOM 0 HG LEU A 7 -17.794 29.371 -14.623 1.00 43.44 H new ATOM 0 HD11 LEU A 7 -18.926 30.521 -16.493 1.00 32.10 H new ATOM 0 HD12 LEU A 7 -20.068 29.586 -15.500 1.00 32.10 H new ATOM 0 HD13 LEU A 7 -19.984 31.356 -15.331 1.00 32.10 H new ATOM 0 HD21 LEU A 7 -16.895 31.502 -15.484 1.00 4.52 H new ATOM 0 HD22 LEU A 7 -17.850 32.388 -14.271 1.00 4.52 H new ATOM 0 HD23 LEU A 7 -16.552 31.287 -13.751 1.00 4.52 H new ATOM 129 N ILE A 8 -18.319 27.305 -12.071 1.00 75.01 N ATOM 130 CA ILE A 8 -17.500 26.090 -12.192 1.00 11.12 C ATOM 131 C ILE A 8 -18.336 24.817 -11.942 1.00 74.24 C ATOM 132 O ILE A 8 -19.094 24.731 -10.971 1.00 41.03 O ATOM 133 CB ILE A 8 -16.277 26.132 -11.233 1.00 25.43 C ATOM 134 CG1 ILE A 8 -15.377 24.898 -11.438 1.00 3.43 C ATOM 135 CG2 ILE A 8 -16.726 26.238 -9.776 1.00 53.20 C ATOM 136 CD1 ILE A 8 -14.782 24.791 -12.831 1.00 51.44 C ATOM 0 H ILE A 8 -18.193 27.815 -11.197 1.00 75.01 H new ATOM 0 HA ILE A 8 -17.129 26.056 -13.216 1.00 11.12 H new ATOM 0 HB ILE A 8 -15.695 27.022 -11.472 1.00 25.43 H new ATOM 0 HG12 ILE A 8 -14.567 24.927 -10.709 1.00 3.43 H new ATOM 0 HG13 ILE A 8 -15.958 23.999 -11.232 1.00 3.43 H new ATOM 0 HG21 ILE A 8 -15.851 26.266 -9.127 1.00 53.20 H new ATOM 0 HG22 ILE A 8 -17.308 27.150 -9.640 1.00 53.20 H new ATOM 0 HG23 ILE A 8 -17.340 25.374 -9.521 1.00 53.20 H new ATOM 0 HD11 ILE A 8 -14.162 23.897 -12.894 1.00 51.44 H new ATOM 0 HD12 ILE A 8 -15.585 24.729 -13.566 1.00 51.44 H new ATOM 0 HD13 ILE A 8 -14.172 25.671 -13.034 1.00 51.44 H new ATOM 148 N ARG A 9 -18.184 23.826 -12.823 1.00 20.23 N ATOM 149 CA ARG A 9 -19.008 22.605 -12.778 1.00 1.24 C ATOM 150 C ARG A 9 -18.152 21.326 -12.836 1.00 62.33 C ATOM 151 O ARG A 9 -18.625 20.284 -13.286 1.00 4.43 O ATOM 152 CB ARG A 9 -19.985 22.612 -13.956 1.00 24.20 C ATOM 153 CG ARG A 9 -19.286 22.632 -15.312 1.00 11.04 C ATOM 154 CD ARG A 9 -20.272 22.467 -16.455 1.00 32.44 C ATOM 155 NE ARG A 9 -20.995 21.196 -16.379 1.00 12.41 N ATOM 156 CZ ARG A 9 -21.882 20.799 -17.250 1.00 54.53 C ATOM 157 NH1 ARG A 9 -22.184 21.531 -18.274 1.00 60.11 N ATOM 158 NH2 ARG A 9 -22.472 19.659 -17.092 1.00 53.12 N ATOM 0 H ARG A 9 -17.499 23.840 -13.579 1.00 20.23 H new ATOM 0 HA ARG A 9 -19.547 22.602 -11.831 1.00 1.24 H new ATOM 0 HB2 ARG A 9 -20.624 21.731 -13.896 1.00 24.20 H new ATOM 0 HB3 ARG A 9 -20.635 23.483 -13.876 1.00 24.20 H new ATOM 0 HG2 ARG A 9 -18.747 23.572 -15.430 1.00 11.04 H new ATOM 0 HG3 ARG A 9 -18.546 21.833 -15.352 1.00 11.04 H new ATOM 0 HD2 ARG A 9 -20.985 23.291 -16.440 1.00 32.44 H new ATOM 0 HD3 ARG A 9 -19.739 22.524 -17.404 1.00 32.44 H new ATOM 0 HE ARG A 9 -20.792 20.579 -15.592 1.00 12.41 H new ATOM 0 HH11 ARG A 9 -21.726 22.433 -18.409 1.00 60.11 H new ATOM 0 HH12 ARG A 9 -22.880 21.206 -18.946 1.00 60.11 H new ATOM 0 HH21 ARG A 9 -22.244 19.074 -16.289 1.00 53.12 H new ATOM 0 HH22 ARG A 9 -23.166 19.345 -17.771 1.00 53.12 H new ATOM 172 N THR A 10 -16.909 21.423 -12.366 1.00 72.44 N ATOM 173 CA THR A 10 -15.947 20.296 -12.381 1.00 71.53 C ATOM 174 C THR A 10 -16.605 18.928 -12.090 1.00 71.31 C ATOM 175 O THR A 10 -16.966 18.626 -10.950 1.00 34.45 O ATOM 176 CB THR A 10 -14.804 20.526 -11.356 1.00 15.15 C ATOM 177 OG1 THR A 10 -14.133 21.765 -11.641 1.00 75.41 O ATOM 178 CG2 THR A 10 -13.791 19.379 -11.384 1.00 72.12 C ATOM 0 H THR A 10 -16.530 22.280 -11.962 1.00 72.44 H new ATOM 0 HA THR A 10 -15.547 20.268 -13.395 1.00 71.53 H new ATOM 0 HB THR A 10 -15.249 20.566 -10.362 1.00 15.15 H new ATOM 0 HG1 THR A 10 -13.414 21.905 -10.990 1.00 75.41 H new ATOM 0 HG21 THR A 10 -13.004 19.571 -10.655 1.00 72.12 H new ATOM 0 HG22 THR A 10 -14.294 18.444 -11.138 1.00 72.12 H new ATOM 0 HG23 THR A 10 -13.353 19.304 -12.379 1.00 72.12 H new ATOM 186 N ARG A 11 -16.758 18.111 -13.137 1.00 24.33 N ATOM 187 CA ARG A 11 -17.370 16.778 -13.022 1.00 31.42 C ATOM 188 C ARG A 11 -16.790 15.807 -14.069 1.00 31.34 C ATOM 189 O ARG A 11 -16.659 16.152 -15.246 1.00 63.11 O ATOM 190 CB ARG A 11 -18.900 16.879 -13.186 1.00 0.24 C ATOM 191 CG ARG A 11 -19.625 15.534 -13.192 1.00 0.24 C ATOM 192 CD ARG A 11 -19.570 14.837 -11.835 1.00 74.23 C ATOM 193 NE ARG A 11 -20.102 13.478 -11.904 1.00 24.14 N ATOM 194 CZ ARG A 11 -20.784 12.898 -10.955 1.00 14.30 C ATOM 195 NH1 ARG A 11 -21.108 13.537 -9.879 1.00 30.32 N ATOM 196 NH2 ARG A 11 -21.167 11.676 -11.108 1.00 11.34 N ATOM 0 H ARG A 11 -16.464 18.351 -14.084 1.00 24.33 H new ATOM 0 HA ARG A 11 -17.141 16.386 -12.031 1.00 31.42 H new ATOM 0 HB2 ARG A 11 -19.300 17.490 -12.377 1.00 0.24 H new ATOM 0 HB3 ARG A 11 -19.120 17.400 -14.118 1.00 0.24 H new ATOM 0 HG2 ARG A 11 -20.666 15.687 -13.477 1.00 0.24 H new ATOM 0 HG3 ARG A 11 -19.179 14.887 -13.948 1.00 0.24 H new ATOM 0 HD2 ARG A 11 -18.539 14.807 -11.483 1.00 74.23 H new ATOM 0 HD3 ARG A 11 -20.139 15.414 -11.106 1.00 74.23 H new ATOM 0 HE ARG A 11 -19.928 12.944 -12.756 1.00 24.14 H new ATOM 0 HH11 ARG A 11 -20.830 14.511 -9.761 1.00 30.32 H new ATOM 0 HH12 ARG A 11 -21.642 13.067 -9.148 1.00 30.32 H new ATOM 0 HH21 ARG A 11 -20.936 11.173 -11.965 1.00 11.34 H new ATOM 0 HH22 ARG A 11 -21.701 11.213 -10.372 1.00 11.34 H new ATOM 210 N GLY A 12 -16.442 14.598 -13.632 1.00 24.31 N ATOM 211 CA GLY A 12 -15.926 13.585 -14.547 1.00 44.14 C ATOM 212 C GLY A 12 -14.991 12.584 -13.871 1.00 44.53 C ATOM 213 O GLY A 12 -14.262 12.932 -12.937 1.00 53.11 O ATOM 0 H GLY A 12 -16.507 14.299 -12.659 1.00 24.31 H new ATOM 0 HA2 GLY A 12 -16.763 13.047 -14.993 1.00 44.14 H new ATOM 0 HA3 GLY A 12 -15.394 14.077 -15.361 1.00 44.14 H new ATOM 217 N GLY A 13 -15.007 11.338 -14.341 1.00 33.24 N ATOM 218 CA GLY A 13 -14.118 10.310 -13.798 1.00 10.15 C ATOM 219 C GLY A 13 -14.824 9.313 -12.880 1.00 12.20 C ATOM 220 O GLY A 13 -14.963 9.552 -11.677 1.00 72.13 O ATOM 0 H GLY A 13 -15.620 11.017 -15.090 1.00 33.24 H new ATOM 0 HA2 GLY A 13 -13.657 9.768 -14.623 1.00 10.15 H new ATOM 0 HA3 GLY A 13 -13.313 10.793 -13.245 1.00 10.15 H new ATOM 224 N ASN A 14 -15.261 8.189 -13.449 1.00 11.43 N ATOM 225 CA ASN A 14 -15.926 7.125 -12.681 1.00 13.11 C ATOM 226 C ASN A 14 -15.581 5.737 -13.254 1.00 52.54 C ATOM 227 O ASN A 14 -15.967 5.401 -14.375 1.00 53.43 O ATOM 228 CB ASN A 14 -17.445 7.343 -12.676 1.00 53.33 C ATOM 229 CG ASN A 14 -18.176 6.346 -11.796 1.00 13.32 C ATOM 230 OD1 ASN A 14 -18.638 5.307 -12.255 1.00 3.31 O ATOM 231 ND2 ASN A 14 -18.263 6.641 -10.515 1.00 5.11 N ATOM 0 H ASN A 14 -15.168 7.987 -14.444 1.00 11.43 H new ATOM 0 HA ASN A 14 -15.564 7.166 -11.654 1.00 13.11 H new ATOM 0 HB2 ASN A 14 -17.662 8.354 -12.331 1.00 53.33 H new ATOM 0 HB3 ASN A 14 -17.822 7.267 -13.696 1.00 53.33 H new ATOM 0 HD21 ASN A 14 -18.725 5.997 -9.873 1.00 5.11 H new ATOM 0 HD22 ASN A 14 -17.868 7.514 -10.165 1.00 5.11 H new ATOM 238 N THR A 15 -14.849 4.939 -12.474 1.00 64.44 N ATOM 239 CA THR A 15 -14.368 3.620 -12.926 1.00 42.52 C ATOM 240 C THR A 15 -15.499 2.599 -13.123 1.00 4.24 C ATOM 241 O THR A 15 -16.621 2.776 -12.645 1.00 71.35 O ATOM 242 CB THR A 15 -13.343 3.010 -11.938 1.00 23.22 C ATOM 243 OG1 THR A 15 -12.877 1.737 -12.424 1.00 45.33 O ATOM 244 CG2 THR A 15 -13.962 2.824 -10.556 1.00 40.44 C ATOM 0 H THR A 15 -14.573 5.179 -11.522 1.00 64.44 H new ATOM 0 HA THR A 15 -13.895 3.814 -13.889 1.00 42.52 H new ATOM 0 HB THR A 15 -12.503 3.701 -11.860 1.00 23.22 H new ATOM 0 HG1 THR A 15 -12.751 1.125 -11.669 1.00 45.33 H new ATOM 0 HG21 THR A 15 -13.222 2.394 -9.881 1.00 40.44 H new ATOM 0 HG22 THR A 15 -14.288 3.790 -10.170 1.00 40.44 H new ATOM 0 HG23 THR A 15 -14.819 2.155 -10.628 1.00 40.44 H new ATOM 252 N LYS A 16 -15.176 1.519 -13.830 1.00 65.54 N ATOM 253 CA LYS A 16 -16.106 0.400 -14.045 1.00 41.43 C ATOM 254 C LYS A 16 -15.493 -0.923 -13.533 1.00 42.13 C ATOM 255 O LYS A 16 -16.165 -1.956 -13.464 1.00 31.43 O ATOM 256 CB LYS A 16 -16.439 0.289 -15.546 1.00 4.32 C ATOM 257 CG LYS A 16 -17.463 -0.794 -15.892 1.00 53.05 C ATOM 258 CD LYS A 16 -18.839 -0.498 -15.295 1.00 21.15 C ATOM 259 CE LYS A 16 -19.478 0.742 -15.911 1.00 25.04 C ATOM 260 NZ LYS A 16 -19.757 0.566 -17.361 1.00 25.21 N ATOM 0 H LYS A 16 -14.266 1.389 -14.271 1.00 65.54 H new ATOM 0 HA LYS A 16 -17.022 0.589 -13.486 1.00 41.43 H new ATOM 0 HB2 LYS A 16 -16.816 1.251 -15.893 1.00 4.32 H new ATOM 0 HB3 LYS A 16 -15.519 0.090 -16.095 1.00 4.32 H new ATOM 0 HG2 LYS A 16 -17.549 -0.878 -16.975 1.00 53.05 H new ATOM 0 HG3 LYS A 16 -17.109 -1.757 -15.525 1.00 53.05 H new ATOM 0 HD2 LYS A 16 -19.493 -1.357 -15.449 1.00 21.15 H new ATOM 0 HD3 LYS A 16 -18.744 -0.359 -14.218 1.00 21.15 H new ATOM 0 HE2 LYS A 16 -20.407 0.968 -15.388 1.00 25.04 H new ATOM 0 HE3 LYS A 16 -18.817 1.597 -15.771 1.00 25.04 H new ATOM 0 HZ1 LYS A 16 -20.368 1.339 -17.693 1.00 25.21 H new ATOM 0 HZ2 LYS A 16 -18.862 0.579 -17.891 1.00 25.21 H new ATOM 0 HZ3 LYS A 16 -20.237 -0.344 -17.514 1.00 25.21 H new ATOM 274 N VAL A 17 -14.214 -0.875 -13.157 1.00 41.14 N ATOM 275 CA VAL A 17 -13.469 -2.080 -12.762 1.00 61.12 C ATOM 276 C VAL A 17 -12.584 -1.824 -11.527 1.00 25.35 C ATOM 277 O VAL A 17 -12.120 -0.705 -11.302 1.00 45.12 O ATOM 278 CB VAL A 17 -12.587 -2.587 -13.938 1.00 51.55 C ATOM 279 CG1 VAL A 17 -11.549 -1.534 -14.333 1.00 71.23 C ATOM 280 CG2 VAL A 17 -11.921 -3.923 -13.599 1.00 64.11 C ATOM 0 H VAL A 17 -13.668 -0.014 -13.116 1.00 41.14 H new ATOM 0 HA VAL A 17 -14.204 -2.843 -12.504 1.00 61.12 H new ATOM 0 HB VAL A 17 -13.238 -2.755 -14.796 1.00 51.55 H new ATOM 0 HG11 VAL A 17 -10.944 -1.911 -15.157 1.00 71.23 H new ATOM 0 HG12 VAL A 17 -12.057 -0.621 -14.644 1.00 71.23 H new ATOM 0 HG13 VAL A 17 -10.906 -1.319 -13.480 1.00 71.23 H new ATOM 0 HG21 VAL A 17 -11.312 -4.250 -14.442 1.00 64.11 H new ATOM 0 HG22 VAL A 17 -11.289 -3.802 -12.719 1.00 64.11 H new ATOM 0 HG23 VAL A 17 -12.688 -4.670 -13.394 1.00 64.11 H new ATOM 290 N ARG A 18 -12.362 -2.872 -10.733 1.00 44.25 N ATOM 291 CA ARG A 18 -11.516 -2.787 -9.534 1.00 12.45 C ATOM 292 C ARG A 18 -10.043 -2.486 -9.883 1.00 4.23 C ATOM 293 O ARG A 18 -9.338 -1.819 -9.127 1.00 72.02 O ATOM 294 CB ARG A 18 -11.614 -4.105 -8.748 1.00 50.15 C ATOM 295 CG ARG A 18 -11.057 -5.314 -9.500 1.00 3.23 C ATOM 296 CD ARG A 18 -11.476 -6.630 -8.857 1.00 40.51 C ATOM 297 NE ARG A 18 -12.919 -6.846 -8.944 1.00 24.14 N ATOM 298 CZ ARG A 18 -13.511 -7.982 -8.687 1.00 24.24 C ATOM 299 NH1 ARG A 18 -12.827 -9.021 -8.320 1.00 34.43 N ATOM 300 NH2 ARG A 18 -14.797 -8.075 -8.791 1.00 25.52 N ATOM 0 H ARG A 18 -12.758 -3.798 -10.897 1.00 44.25 H new ATOM 0 HA ARG A 18 -11.878 -1.959 -8.924 1.00 12.45 H new ATOM 0 HB2 ARG A 18 -11.077 -3.996 -7.806 1.00 50.15 H new ATOM 0 HB3 ARG A 18 -12.659 -4.293 -8.500 1.00 50.15 H new ATOM 0 HG2 ARG A 18 -11.403 -5.289 -10.533 1.00 3.23 H new ATOM 0 HG3 ARG A 18 -9.969 -5.254 -9.527 1.00 3.23 H new ATOM 0 HD2 ARG A 18 -10.956 -7.454 -9.345 1.00 40.51 H new ATOM 0 HD3 ARG A 18 -11.171 -6.636 -7.811 1.00 40.51 H new ATOM 0 HE ARG A 18 -13.502 -6.058 -9.224 1.00 24.14 H new ATOM 0 HH11 ARG A 18 -11.813 -8.958 -8.229 1.00 34.43 H new ATOM 0 HH12 ARG A 18 -13.303 -9.901 -8.123 1.00 34.43 H new ATOM 0 HH21 ARG A 18 -15.346 -7.263 -9.073 1.00 25.52 H new ATOM 0 HH22 ARG A 18 -15.262 -8.960 -8.591 1.00 25.52 H new ATOM 314 N LEU A 19 -9.591 -2.993 -11.031 1.00 22.02 N ATOM 315 CA LEU A 19 -8.212 -2.788 -11.495 1.00 40.23 C ATOM 316 C LEU A 19 -8.043 -3.369 -12.906 1.00 42.20 C ATOM 317 O LEU A 19 -8.408 -4.520 -13.156 1.00 73.01 O ATOM 318 CB LEU A 19 -7.213 -3.441 -10.510 1.00 53.34 C ATOM 319 CG LEU A 19 -5.720 -3.062 -10.682 1.00 31.13 C ATOM 320 CD1 LEU A 19 -4.943 -3.360 -9.400 1.00 22.53 C ATOM 321 CD2 LEU A 19 -5.081 -3.805 -11.861 1.00 5.03 C ATOM 0 H LEU A 19 -10.163 -3.553 -11.663 1.00 22.02 H new ATOM 0 HA LEU A 19 -8.004 -1.719 -11.533 1.00 40.23 H new ATOM 0 HB2 LEU A 19 -7.516 -3.181 -9.496 1.00 53.34 H new ATOM 0 HB3 LEU A 19 -7.302 -4.523 -10.602 1.00 53.34 H new ATOM 0 HG LEU A 19 -5.676 -1.993 -10.891 1.00 31.13 H new ATOM 0 HD11 LEU A 19 -3.896 -3.088 -9.537 1.00 22.53 H new ATOM 0 HD12 LEU A 19 -5.363 -2.782 -8.577 1.00 22.53 H new ATOM 0 HD13 LEU A 19 -5.015 -4.423 -9.170 1.00 22.53 H new ATOM 0 HD21 LEU A 19 -4.034 -3.514 -11.950 1.00 5.03 H new ATOM 0 HD22 LEU A 19 -5.145 -4.880 -11.692 1.00 5.03 H new ATOM 0 HD23 LEU A 19 -5.608 -3.550 -12.780 1.00 5.03 H new ATOM 333 N ALA A 20 -7.500 -2.572 -13.826 1.00 55.13 N ATOM 334 CA ALA A 20 -7.301 -3.016 -15.212 1.00 4.12 C ATOM 335 C ALA A 20 -6.184 -2.228 -15.907 1.00 61.21 C ATOM 336 O ALA A 20 -6.204 -0.999 -15.920 1.00 15.14 O ATOM 337 CB ALA A 20 -8.602 -2.894 -16.001 1.00 1.10 C ATOM 0 H ALA A 20 -7.190 -1.618 -13.641 1.00 55.13 H new ATOM 0 HA ALA A 20 -6.998 -4.063 -15.181 1.00 4.12 H new ATOM 0 HB1 ALA A 20 -8.438 -3.227 -17.026 1.00 1.10 H new ATOM 0 HB2 ALA A 20 -9.369 -3.514 -15.536 1.00 1.10 H new ATOM 0 HB3 ALA A 20 -8.929 -1.854 -16.005 1.00 1.10 H new ATOM 343 N SER A 21 -5.210 -2.955 -16.468 1.00 15.11 N ATOM 344 CA SER A 21 -4.083 -2.370 -17.222 1.00 4.43 C ATOM 345 C SER A 21 -3.053 -1.711 -16.291 1.00 54.43 C ATOM 346 O SER A 21 -1.860 -2.014 -16.353 1.00 21.15 O ATOM 347 CB SER A 21 -4.577 -1.358 -18.271 1.00 70.02 C ATOM 348 OG SER A 21 -3.508 -0.868 -19.066 1.00 2.42 O ATOM 0 H SER A 21 -5.177 -3.973 -16.414 1.00 15.11 H new ATOM 0 HA SER A 21 -3.590 -3.192 -17.740 1.00 4.43 H new ATOM 0 HB2 SER A 21 -5.321 -1.831 -18.912 1.00 70.02 H new ATOM 0 HB3 SER A 21 -5.071 -0.525 -17.770 1.00 70.02 H new ATOM 0 HG SER A 21 -3.855 -0.229 -19.723 1.00 2.42 H new ATOM 354 N ASP A 22 -3.522 -0.822 -15.423 1.00 34.53 N ATOM 355 CA ASP A 22 -2.649 -0.093 -14.498 1.00 34.43 C ATOM 356 C ASP A 22 -2.809 -0.641 -13.068 1.00 73.21 C ATOM 357 O ASP A 22 -3.921 -0.705 -12.536 1.00 11.53 O ATOM 358 CB ASP A 22 -2.988 1.405 -14.537 1.00 14.50 C ATOM 359 CG ASP A 22 -1.836 2.287 -14.082 1.00 54.13 C ATOM 360 OD1 ASP A 22 -1.214 1.979 -13.047 1.00 75.24 O ATOM 361 OD2 ASP A 22 -1.547 3.301 -14.758 1.00 21.13 O ATOM 0 H ASP A 22 -4.510 -0.584 -15.337 1.00 34.53 H new ATOM 0 HA ASP A 22 -1.612 -0.230 -14.805 1.00 34.43 H new ATOM 0 HB2 ASP A 22 -3.271 1.682 -15.553 1.00 14.50 H new ATOM 0 HB3 ASP A 22 -3.854 1.592 -13.903 1.00 14.50 H new ATOM 366 N THR A 23 -1.699 -1.042 -12.452 1.00 4.35 N ATOM 367 CA THR A 23 -1.726 -1.621 -11.100 1.00 0.02 C ATOM 368 C THR A 23 -1.379 -0.572 -10.035 1.00 13.23 C ATOM 369 O THR A 23 -0.239 -0.109 -9.950 1.00 33.34 O ATOM 370 CB THR A 23 -0.734 -2.808 -10.982 1.00 30.31 C ATOM 371 OG1 THR A 23 -1.014 -3.786 -11.996 1.00 22.04 O ATOM 372 CG2 THR A 23 -0.814 -3.467 -9.608 1.00 51.21 C ATOM 0 H THR A 23 -0.768 -0.979 -12.863 1.00 4.35 H new ATOM 0 HA THR A 23 -2.741 -1.979 -10.929 1.00 0.02 H new ATOM 0 HB THR A 23 0.273 -2.413 -11.116 1.00 30.31 H new ATOM 0 HG1 THR A 23 -0.382 -4.531 -11.915 1.00 22.04 H new ATOM 0 HG21 THR A 23 -0.106 -4.294 -9.560 1.00 51.21 H new ATOM 0 HG22 THR A 23 -0.569 -2.735 -8.838 1.00 51.21 H new ATOM 0 HG23 THR A 23 -1.824 -3.843 -9.443 1.00 51.21 H new ATOM 380 N ARG A 24 -2.357 -0.220 -9.198 1.00 42.45 N ATOM 381 CA ARG A 24 -2.168 0.814 -8.168 1.00 10.41 C ATOM 382 C ARG A 24 -2.839 0.429 -6.840 1.00 41.22 C ATOM 383 O ARG A 24 -3.596 -0.538 -6.767 1.00 60.34 O ATOM 384 CB ARG A 24 -2.715 2.168 -8.660 1.00 43.33 C ATOM 385 CG ARG A 24 -2.076 2.650 -9.957 1.00 43.30 C ATOM 386 CD ARG A 24 -2.617 4.001 -10.403 1.00 23.43 C ATOM 387 NE ARG A 24 -2.090 4.381 -11.710 1.00 32.43 N ATOM 388 CZ ARG A 24 -2.257 5.550 -12.266 1.00 4.11 C ATOM 389 NH1 ARG A 24 -2.882 6.493 -11.637 1.00 52.45 N ATOM 390 NH2 ARG A 24 -1.797 5.765 -13.456 1.00 20.24 N ATOM 0 H ARG A 24 -3.289 -0.633 -9.210 1.00 42.45 H new ATOM 0 HA ARG A 24 -1.097 0.901 -7.987 1.00 10.41 H new ATOM 0 HB2 ARG A 24 -3.792 2.084 -8.805 1.00 43.33 H new ATOM 0 HB3 ARG A 24 -2.555 2.918 -7.885 1.00 43.33 H new ATOM 0 HG2 ARG A 24 -0.997 2.720 -9.823 1.00 43.30 H new ATOM 0 HG3 ARG A 24 -2.253 1.914 -10.741 1.00 43.30 H new ATOM 0 HD2 ARG A 24 -3.706 3.963 -10.445 1.00 23.43 H new ATOM 0 HD3 ARG A 24 -2.353 4.761 -9.668 1.00 23.43 H new ATOM 0 HE ARG A 24 -1.553 3.684 -12.225 1.00 32.43 H new ATOM 0 HH11 ARG A 24 -3.248 6.325 -10.700 1.00 52.45 H new ATOM 0 HH12 ARG A 24 -3.008 7.404 -12.078 1.00 52.45 H new ATOM 0 HH21 ARG A 24 -1.307 5.023 -13.955 1.00 20.24 H new ATOM 0 HH22 ARG A 24 -1.925 6.677 -13.895 1.00 20.24 H new ATOM 404 N ILE A 25 -2.549 1.200 -5.796 1.00 44.42 N ATOM 405 CA ILE A 25 -3.107 0.958 -4.462 1.00 13.15 C ATOM 406 C ILE A 25 -3.209 2.265 -3.659 1.00 11.32 C ATOM 407 O ILE A 25 -2.344 3.142 -3.768 1.00 1.11 O ATOM 408 CB ILE A 25 -2.241 -0.064 -3.675 1.00 52.33 C ATOM 409 CG1 ILE A 25 -2.838 -0.338 -2.281 1.00 65.13 C ATOM 410 CG2 ILE A 25 -0.796 0.430 -3.560 1.00 31.33 C ATOM 411 CD1 ILE A 25 -2.085 -1.386 -1.485 1.00 32.21 C ATOM 0 H ILE A 25 -1.925 2.006 -5.846 1.00 44.42 H new ATOM 0 HA ILE A 25 -4.108 0.548 -4.599 1.00 13.15 H new ATOM 0 HB ILE A 25 -2.240 -1.003 -4.229 1.00 52.33 H new ATOM 0 HG12 ILE A 25 -2.854 0.593 -1.714 1.00 65.13 H new ATOM 0 HG13 ILE A 25 -3.873 -0.658 -2.397 1.00 65.13 H new ATOM 0 HG21 ILE A 25 -0.205 -0.299 -3.006 1.00 31.33 H new ATOM 0 HG22 ILE A 25 -0.374 0.556 -4.557 1.00 31.33 H new ATOM 0 HG23 ILE A 25 -0.779 1.385 -3.035 1.00 31.33 H new ATOM 0 HD11 ILE A 25 -2.566 -1.522 -0.516 1.00 32.21 H new ATOM 0 HD12 ILE A 25 -2.091 -2.330 -2.029 1.00 32.21 H new ATOM 0 HD13 ILE A 25 -1.056 -1.060 -1.336 1.00 32.21 H new ATOM 423 N ASN A 26 -4.274 2.402 -2.871 1.00 65.12 N ATOM 424 CA ASN A 26 -4.423 3.547 -1.971 1.00 73.13 C ATOM 425 C ASN A 26 -3.543 3.374 -0.730 1.00 1.22 C ATOM 426 O ASN A 26 -3.852 2.588 0.169 1.00 53.20 O ATOM 427 CB ASN A 26 -5.887 3.730 -1.557 1.00 14.24 C ATOM 428 CG ASN A 26 -6.765 4.178 -2.706 1.00 4.31 C ATOM 429 OD1 ASN A 26 -6.315 4.851 -3.628 1.00 22.33 O ATOM 430 ND2 ASN A 26 -8.030 3.823 -2.653 1.00 21.52 N ATOM 0 H ASN A 26 -5.046 1.736 -2.837 1.00 65.12 H new ATOM 0 HA ASN A 26 -4.102 4.440 -2.507 1.00 73.13 H new ATOM 0 HB2 ASN A 26 -6.268 2.790 -1.158 1.00 14.24 H new ATOM 0 HB3 ASN A 26 -5.944 4.464 -0.753 1.00 14.24 H new ATOM 0 HD21 ASN A 26 -8.671 4.108 -3.394 1.00 21.52 H new ATOM 0 HD22 ASN A 26 -8.370 3.263 -1.871 1.00 21.52 H new ATOM 437 N VAL A 27 -2.435 4.097 -0.709 1.00 51.24 N ATOM 438 CA VAL A 27 -1.482 4.047 0.393 1.00 15.40 C ATOM 439 C VAL A 27 -1.874 5.022 1.513 1.00 35.13 C ATOM 440 O VAL A 27 -2.272 6.154 1.253 1.00 64.35 O ATOM 441 CB VAL A 27 -0.059 4.387 -0.113 1.00 43.40 C ATOM 442 CG1 VAL A 27 0.973 4.217 0.996 1.00 51.01 C ATOM 443 CG2 VAL A 27 0.295 3.528 -1.323 1.00 74.43 C ATOM 0 H VAL A 27 -2.169 4.737 -1.457 1.00 51.24 H new ATOM 0 HA VAL A 27 -1.494 3.034 0.796 1.00 15.40 H new ATOM 0 HB VAL A 27 -0.047 5.433 -0.419 1.00 43.40 H new ATOM 0 HG11 VAL A 27 1.963 4.462 0.612 1.00 51.01 H new ATOM 0 HG12 VAL A 27 0.730 4.882 1.825 1.00 51.01 H new ATOM 0 HG13 VAL A 27 0.965 3.185 1.345 1.00 51.01 H new ATOM 0 HG21 VAL A 27 1.298 3.779 -1.667 1.00 74.43 H new ATOM 0 HG22 VAL A 27 0.260 2.475 -1.044 1.00 74.43 H new ATOM 0 HG23 VAL A 27 -0.420 3.715 -2.124 1.00 74.43 H new ATOM 453 N VAL A 28 -1.776 4.571 2.757 1.00 62.13 N ATOM 454 CA VAL A 28 -2.077 5.417 3.912 1.00 51.11 C ATOM 455 C VAL A 28 -0.804 5.744 4.702 1.00 51.31 C ATOM 456 O VAL A 28 -0.260 4.885 5.404 1.00 11.32 O ATOM 457 CB VAL A 28 -3.104 4.742 4.858 1.00 63.22 C ATOM 458 CG1 VAL A 28 -3.466 5.668 6.017 1.00 53.23 C ATOM 459 CG2 VAL A 28 -4.356 4.318 4.089 1.00 12.24 C ATOM 0 H VAL A 28 -1.490 3.622 2.996 1.00 62.13 H new ATOM 0 HA VAL A 28 -2.508 6.340 3.525 1.00 51.11 H new ATOM 0 HB VAL A 28 -2.643 3.846 5.273 1.00 63.22 H new ATOM 0 HG11 VAL A 28 -4.188 5.173 6.667 1.00 53.23 H new ATOM 0 HG12 VAL A 28 -2.568 5.906 6.587 1.00 53.23 H new ATOM 0 HG13 VAL A 28 -3.901 6.587 5.626 1.00 53.23 H new ATOM 0 HG21 VAL A 28 -5.061 3.847 4.774 1.00 12.24 H new ATOM 0 HG22 VAL A 28 -4.820 5.195 3.637 1.00 12.24 H new ATOM 0 HG23 VAL A 28 -4.081 3.609 3.308 1.00 12.24 H new ATOM 469 N ASP A 29 -0.317 6.972 4.559 1.00 41.53 N ATOM 470 CA ASP A 29 0.850 7.436 5.312 1.00 4.11 C ATOM 471 C ASP A 29 0.550 7.494 6.824 1.00 34.54 C ATOM 472 O ASP A 29 -0.284 8.283 7.269 1.00 52.35 O ATOM 473 CB ASP A 29 1.286 8.814 4.805 1.00 13.51 C ATOM 474 CG ASP A 29 2.511 9.332 5.529 1.00 72.24 C ATOM 475 OD1 ASP A 29 3.608 8.782 5.320 1.00 64.32 O ATOM 476 OD2 ASP A 29 2.386 10.284 6.324 1.00 33.21 O ATOM 0 H ASP A 29 -0.712 7.669 3.927 1.00 41.53 H new ATOM 0 HA ASP A 29 1.661 6.724 5.157 1.00 4.11 H new ATOM 0 HB2 ASP A 29 1.495 8.756 3.737 1.00 13.51 H new ATOM 0 HB3 ASP A 29 0.466 9.521 4.931 1.00 13.51 H new ATOM 481 N PRO A 30 1.235 6.670 7.645 1.00 44.24 N ATOM 482 CA PRO A 30 0.971 6.602 9.093 1.00 72.34 C ATOM 483 C PRO A 30 1.508 7.814 9.879 1.00 62.44 C ATOM 484 O PRO A 30 1.177 8.002 11.052 1.00 22.55 O ATOM 485 CB PRO A 30 1.689 5.313 9.514 1.00 11.13 C ATOM 486 CG PRO A 30 2.804 5.160 8.534 1.00 60.34 C ATOM 487 CD PRO A 30 2.301 5.731 7.230 1.00 53.52 C ATOM 0 HA PRO A 30 -0.098 6.610 9.306 1.00 72.34 H new ATOM 0 HB2 PRO A 30 2.066 5.385 10.534 1.00 11.13 H new ATOM 0 HB3 PRO A 30 1.015 4.457 9.483 1.00 11.13 H new ATOM 0 HG2 PRO A 30 3.695 5.689 8.873 1.00 60.34 H new ATOM 0 HG3 PRO A 30 3.080 4.112 8.419 1.00 60.34 H new ATOM 0 HD2 PRO A 30 3.094 6.242 6.684 1.00 53.52 H new ATOM 0 HD3 PRO A 30 1.914 4.951 6.574 1.00 53.52 H new ATOM 495 N GLU A 31 2.333 8.638 9.239 1.00 64.54 N ATOM 496 CA GLU A 31 2.881 9.836 9.888 1.00 63.43 C ATOM 497 C GLU A 31 1.871 10.994 9.872 1.00 0.55 C ATOM 498 O GLU A 31 1.693 11.697 10.868 1.00 44.15 O ATOM 499 CB GLU A 31 4.180 10.265 9.199 1.00 43.40 C ATOM 500 CG GLU A 31 5.289 9.223 9.279 1.00 63.32 C ATOM 501 CD GLU A 31 6.563 9.661 8.572 1.00 43.14 C ATOM 502 OE1 GLU A 31 7.121 10.715 8.945 1.00 75.23 O ATOM 503 OE2 GLU A 31 7.014 8.956 7.646 1.00 72.24 O ATOM 0 H GLU A 31 2.639 8.503 8.275 1.00 64.54 H new ATOM 0 HA GLU A 31 3.091 9.585 10.928 1.00 63.43 H new ATOM 0 HB2 GLU A 31 3.971 10.481 8.151 1.00 43.40 H new ATOM 0 HB3 GLU A 31 4.532 11.192 9.651 1.00 43.40 H new ATOM 0 HG2 GLU A 31 5.513 9.017 10.326 1.00 63.32 H new ATOM 0 HG3 GLU A 31 4.937 8.290 8.839 1.00 63.32 H new ATOM 510 N THR A 32 1.214 11.181 8.734 1.00 71.31 N ATOM 511 CA THR A 32 0.224 12.259 8.566 1.00 63.44 C ATOM 512 C THR A 32 -1.213 11.732 8.682 1.00 42.40 C ATOM 513 O THR A 32 -2.123 12.455 9.095 1.00 24.03 O ATOM 514 CB THR A 32 0.371 12.943 7.188 1.00 10.03 C ATOM 515 OG1 THR A 32 0.118 11.991 6.144 1.00 34.11 O ATOM 516 CG2 THR A 32 1.765 13.538 7.010 1.00 24.01 C ATOM 0 H THR A 32 1.344 10.601 7.905 1.00 71.31 H new ATOM 0 HA THR A 32 0.416 12.977 9.363 1.00 63.44 H new ATOM 0 HB THR A 32 -0.356 13.753 7.134 1.00 10.03 H new ATOM 0 HG1 THR A 32 0.850 11.340 6.110 1.00 34.11 H new ATOM 0 HG21 THR A 32 1.836 14.012 6.031 1.00 24.01 H new ATOM 0 HG22 THR A 32 1.945 14.281 7.787 1.00 24.01 H new ATOM 0 HG23 THR A 32 2.511 12.747 7.085 1.00 24.01 H new ATOM 524 N GLY A 33 -1.409 10.473 8.307 1.00 32.42 N ATOM 525 CA GLY A 33 -2.744 9.880 8.294 1.00 21.51 C ATOM 526 C GLY A 33 -3.469 10.085 6.963 1.00 44.13 C ATOM 527 O GLY A 33 -4.676 9.855 6.863 1.00 23.52 O ATOM 0 H GLY A 33 -0.664 9.844 8.009 1.00 32.42 H new ATOM 0 HA2 GLY A 33 -2.665 8.812 8.499 1.00 21.51 H new ATOM 0 HA3 GLY A 33 -3.338 10.315 9.097 1.00 21.51 H new ATOM 531 N LYS A 34 -2.731 10.515 5.942 1.00 71.21 N ATOM 532 CA LYS A 34 -3.309 10.784 4.617 1.00 51.31 C ATOM 533 C LYS A 34 -3.437 9.496 3.792 1.00 32.54 C ATOM 534 O LYS A 34 -2.822 8.479 4.110 1.00 34.02 O ATOM 535 CB LYS A 34 -2.438 11.788 3.845 1.00 40.22 C ATOM 536 CG LYS A 34 -1.122 11.195 3.351 1.00 44.12 C ATOM 537 CD LYS A 34 -0.301 12.188 2.533 1.00 5.23 C ATOM 538 CE LYS A 34 0.205 13.352 3.374 1.00 4.34 C ATOM 539 NZ LYS A 34 1.230 14.146 2.649 1.00 10.53 N ATOM 0 H LYS A 34 -1.727 10.687 6.002 1.00 71.21 H new ATOM 0 HA LYS A 34 -4.303 11.202 4.774 1.00 51.31 H new ATOM 0 HB2 LYS A 34 -3.001 12.165 2.991 1.00 40.22 H new ATOM 0 HB3 LYS A 34 -2.224 12.642 4.488 1.00 40.22 H new ATOM 0 HG2 LYS A 34 -0.535 10.861 4.206 1.00 44.12 H new ATOM 0 HG3 LYS A 34 -1.330 10.314 2.744 1.00 44.12 H new ATOM 0 HD2 LYS A 34 0.547 11.671 2.084 1.00 5.23 H new ATOM 0 HD3 LYS A 34 -0.910 12.572 1.715 1.00 5.23 H new ATOM 0 HE2 LYS A 34 -0.631 13.997 3.644 1.00 4.34 H new ATOM 0 HE3 LYS A 34 0.629 12.973 4.304 1.00 4.34 H new ATOM 0 HZ1 LYS A 34 1.552 14.930 3.252 1.00 10.53 H new ATOM 0 HZ2 LYS A 34 2.039 13.536 2.413 1.00 10.53 H new ATOM 0 HZ3 LYS A 34 0.818 14.528 1.774 1.00 10.53 H new ATOM 553 N VAL A 35 -4.249 9.547 2.737 1.00 65.33 N ATOM 554 CA VAL A 35 -4.362 8.429 1.798 1.00 2.24 C ATOM 555 C VAL A 35 -3.909 8.842 0.384 1.00 63.35 C ATOM 556 O VAL A 35 -4.672 9.455 -0.373 1.00 1.30 O ATOM 557 CB VAL A 35 -5.813 7.885 1.734 1.00 73.55 C ATOM 558 CG1 VAL A 35 -5.907 6.674 0.807 1.00 10.14 C ATOM 559 CG2 VAL A 35 -6.325 7.541 3.132 1.00 14.45 C ATOM 0 H VAL A 35 -4.838 10.348 2.510 1.00 65.33 H new ATOM 0 HA VAL A 35 -3.707 7.639 2.166 1.00 2.24 H new ATOM 0 HB VAL A 35 -6.447 8.670 1.323 1.00 73.55 H new ATOM 0 HG11 VAL A 35 -6.936 6.314 0.782 1.00 10.14 H new ATOM 0 HG12 VAL A 35 -5.598 6.960 -0.198 1.00 10.14 H new ATOM 0 HG13 VAL A 35 -5.254 5.882 1.175 1.00 10.14 H new ATOM 0 HG21 VAL A 35 -7.344 7.161 3.063 1.00 14.45 H new ATOM 0 HG22 VAL A 35 -5.684 6.780 3.577 1.00 14.45 H new ATOM 0 HG23 VAL A 35 -6.312 8.436 3.754 1.00 14.45 H new ATOM 569 N GLU A 36 -2.658 8.533 0.041 1.00 15.41 N ATOM 570 CA GLU A 36 -2.130 8.782 -1.313 1.00 64.12 C ATOM 571 C GLU A 36 -2.279 7.540 -2.209 1.00 4.21 C ATOM 572 O GLU A 36 -2.651 6.469 -1.747 1.00 44.42 O ATOM 573 CB GLU A 36 -0.650 9.219 -1.271 1.00 61.05 C ATOM 574 CG GLU A 36 0.276 8.286 -0.484 1.00 51.32 C ATOM 575 CD GLU A 36 0.459 8.712 0.968 1.00 40.50 C ATOM 576 OE1 GLU A 36 -0.354 8.307 1.821 1.00 32.23 O ATOM 577 OE2 GLU A 36 1.423 9.463 1.252 1.00 11.13 O ATOM 0 H GLU A 36 -1.985 8.109 0.680 1.00 15.41 H new ATOM 0 HA GLU A 36 -2.720 9.594 -1.738 1.00 64.12 H new ATOM 0 HB2 GLU A 36 -0.280 9.297 -2.293 1.00 61.05 H new ATOM 0 HB3 GLU A 36 -0.593 10.216 -0.835 1.00 61.05 H new ATOM 0 HG2 GLU A 36 -0.129 7.274 -0.511 1.00 51.32 H new ATOM 0 HG3 GLU A 36 1.250 8.253 -0.973 1.00 51.32 H new ATOM 584 N ILE A 37 -2.013 7.692 -3.506 1.00 62.45 N ATOM 585 CA ILE A 37 -2.073 6.562 -4.443 1.00 21.41 C ATOM 586 C ILE A 37 -0.670 6.198 -4.963 1.00 12.34 C ATOM 587 O ILE A 37 0.110 7.076 -5.336 1.00 51.11 O ATOM 588 CB ILE A 37 -2.999 6.876 -5.650 1.00 62.35 C ATOM 589 CG1 ILE A 37 -4.417 7.230 -5.163 1.00 54.11 C ATOM 590 CG2 ILE A 37 -3.042 5.692 -6.619 1.00 13.43 C ATOM 591 CD1 ILE A 37 -5.382 7.591 -6.276 1.00 34.25 C ATOM 0 H ILE A 37 -1.755 8.581 -3.934 1.00 62.45 H new ATOM 0 HA ILE A 37 -2.483 5.715 -3.893 1.00 21.41 H new ATOM 0 HB ILE A 37 -2.592 7.737 -6.181 1.00 62.35 H new ATOM 0 HG12 ILE A 37 -4.820 6.384 -4.607 1.00 54.11 H new ATOM 0 HG13 ILE A 37 -4.352 8.067 -4.467 1.00 54.11 H new ATOM 0 HG21 ILE A 37 -3.696 5.932 -7.458 1.00 13.43 H new ATOM 0 HG22 ILE A 37 -2.037 5.488 -6.989 1.00 13.43 H new ATOM 0 HG23 ILE A 37 -3.424 4.812 -6.101 1.00 13.43 H new ATOM 0 HD11 ILE A 37 -6.357 7.827 -5.850 1.00 34.25 H new ATOM 0 HD12 ILE A 37 -5.004 8.457 -6.819 1.00 34.25 H new ATOM 0 HD13 ILE A 37 -5.479 6.748 -6.961 1.00 34.25 H new ATOM 603 N ALA A 38 -0.352 4.907 -4.982 1.00 32.12 N ATOM 604 CA ALA A 38 0.946 4.438 -5.484 1.00 72.10 C ATOM 605 C ALA A 38 0.792 3.286 -6.486 1.00 21.22 C ATOM 606 O ALA A 38 -0.184 2.539 -6.446 1.00 12.23 O ATOM 607 CB ALA A 38 1.832 4.006 -4.325 1.00 2.45 C ATOM 0 H ALA A 38 -0.971 4.164 -4.657 1.00 32.12 H new ATOM 0 HA ALA A 38 1.414 5.271 -6.009 1.00 72.10 H new ATOM 0 HB1 ALA A 38 2.791 3.660 -4.710 1.00 2.45 H new ATOM 0 HB2 ALA A 38 1.993 4.851 -3.655 1.00 2.45 H new ATOM 0 HB3 ALA A 38 1.347 3.197 -3.779 1.00 2.45 H new ATOM 613 N GLU A 39 1.765 3.153 -7.377 1.00 40.43 N ATOM 614 CA GLU A 39 1.770 2.080 -8.377 1.00 62.15 C ATOM 615 C GLU A 39 2.534 0.855 -7.848 1.00 33.32 C ATOM 616 O GLU A 39 3.689 0.970 -7.428 1.00 4.45 O ATOM 617 CB GLU A 39 2.406 2.588 -9.680 1.00 21.03 C ATOM 618 CG GLU A 39 1.652 3.755 -10.312 1.00 71.34 C ATOM 619 CD GLU A 39 2.410 4.402 -11.461 1.00 60.03 C ATOM 620 OE1 GLU A 39 2.482 3.798 -12.551 1.00 0.30 O ATOM 621 OE2 GLU A 39 2.932 5.527 -11.279 1.00 32.13 O ATOM 0 H GLU A 39 2.570 3.777 -7.432 1.00 40.43 H new ATOM 0 HA GLU A 39 0.742 1.779 -8.578 1.00 62.15 H new ATOM 0 HB2 GLU A 39 3.432 2.896 -9.478 1.00 21.03 H new ATOM 0 HB3 GLU A 39 2.454 1.767 -10.395 1.00 21.03 H new ATOM 0 HG2 GLU A 39 0.686 3.402 -10.674 1.00 71.34 H new ATOM 0 HG3 GLU A 39 1.451 4.506 -9.548 1.00 71.34 H new ATOM 628 N ILE A 40 1.893 -0.312 -7.870 1.00 63.11 N ATOM 629 CA ILE A 40 2.498 -1.532 -7.319 1.00 75.13 C ATOM 630 C ILE A 40 3.514 -2.145 -8.294 1.00 62.02 C ATOM 631 O ILE A 40 3.154 -2.616 -9.373 1.00 3.32 O ATOM 632 CB ILE A 40 1.424 -2.596 -6.977 1.00 15.34 C ATOM 633 CG1 ILE A 40 0.389 -2.021 -5.993 1.00 71.31 C ATOM 634 CG2 ILE A 40 2.074 -3.859 -6.405 1.00 2.14 C ATOM 635 CD1 ILE A 40 -0.721 -2.990 -5.634 1.00 0.43 C ATOM 0 H ILE A 40 0.960 -0.443 -8.260 1.00 63.11 H new ATOM 0 HA ILE A 40 3.012 -1.236 -6.404 1.00 75.13 H new ATOM 0 HB ILE A 40 0.907 -2.869 -7.897 1.00 15.34 H new ATOM 0 HG12 ILE A 40 0.900 -1.715 -5.080 1.00 71.31 H new ATOM 0 HG13 ILE A 40 -0.052 -1.124 -6.427 1.00 71.31 H new ATOM 0 HG21 ILE A 40 1.302 -4.592 -6.172 1.00 2.14 H new ATOM 0 HG22 ILE A 40 2.763 -4.278 -7.139 1.00 2.14 H new ATOM 0 HG23 ILE A 40 2.621 -3.607 -5.496 1.00 2.14 H new ATOM 0 HD11 ILE A 40 -1.410 -2.512 -4.937 1.00 0.43 H new ATOM 0 HD12 ILE A 40 -1.259 -3.277 -6.537 1.00 0.43 H new ATOM 0 HD13 ILE A 40 -0.293 -3.878 -5.169 1.00 0.43 H new ATOM 647 N ARG A 41 4.784 -2.131 -7.904 1.00 20.25 N ATOM 648 CA ARG A 41 5.854 -2.715 -8.715 1.00 42.02 C ATOM 649 C ARG A 41 5.961 -4.233 -8.493 1.00 55.00 C ATOM 650 O ARG A 41 6.046 -5.011 -9.446 1.00 41.41 O ATOM 651 CB ARG A 41 7.188 -2.031 -8.381 1.00 32.14 C ATOM 652 CG ARG A 41 7.164 -0.517 -8.576 1.00 70.12 C ATOM 653 CD ARG A 41 8.531 0.118 -8.325 1.00 51.33 C ATOM 654 NE ARG A 41 8.950 0.049 -6.920 1.00 11.34 N ATOM 655 CZ ARG A 41 10.183 0.220 -6.520 1.00 53.23 C ATOM 656 NH1 ARG A 41 11.141 0.359 -7.381 1.00 70.11 N ATOM 657 NH2 ARG A 41 10.464 0.236 -5.257 1.00 74.25 N ATOM 0 H ARG A 41 5.102 -1.720 -7.026 1.00 20.25 H new ATOM 0 HA ARG A 41 5.616 -2.551 -9.766 1.00 42.02 H new ATOM 0 HB2 ARG A 41 7.451 -2.252 -7.346 1.00 32.14 H new ATOM 0 HB3 ARG A 41 7.972 -2.457 -9.007 1.00 32.14 H new ATOM 0 HG2 ARG A 41 6.840 -0.288 -9.591 1.00 70.12 H new ATOM 0 HG3 ARG A 41 6.431 -0.077 -7.900 1.00 70.12 H new ATOM 0 HD2 ARG A 41 9.276 -0.381 -8.945 1.00 51.33 H new ATOM 0 HD3 ARG A 41 8.503 1.162 -8.639 1.00 51.33 H new ATOM 0 HE ARG A 41 8.238 -0.143 -6.215 1.00 11.34 H new ATOM 0 HH11 ARG A 41 10.936 0.336 -8.380 1.00 70.11 H new ATOM 0 HH12 ARG A 41 12.100 0.492 -7.060 1.00 70.11 H new ATOM 0 HH21 ARG A 41 9.722 0.115 -4.568 1.00 74.25 H new ATOM 0 HH22 ARG A 41 11.428 0.370 -4.951 1.00 74.25 H new ATOM 671 N ASN A 42 5.969 -4.645 -7.224 1.00 24.22 N ATOM 672 CA ASN A 42 6.073 -6.065 -6.854 1.00 43.51 C ATOM 673 C ASN A 42 5.121 -6.416 -5.700 1.00 13.25 C ATOM 674 O ASN A 42 4.626 -5.535 -5.000 1.00 23.34 O ATOM 675 CB ASN A 42 7.513 -6.411 -6.453 1.00 71.34 C ATOM 676 CG ASN A 42 8.484 -6.312 -7.615 1.00 25.45 C ATOM 677 OD1 ASN A 42 8.672 -7.264 -8.362 1.00 45.41 O ATOM 678 ND2 ASN A 42 9.115 -5.166 -7.771 1.00 52.50 N ATOM 0 H ASN A 42 5.904 -4.012 -6.426 1.00 24.22 H new ATOM 0 HA ASN A 42 5.788 -6.652 -7.727 1.00 43.51 H new ATOM 0 HB2 ASN A 42 7.835 -5.740 -5.657 1.00 71.34 H new ATOM 0 HB3 ASN A 42 7.540 -7.422 -6.047 1.00 71.34 H new ATOM 0 HD21 ASN A 42 9.784 -5.052 -8.532 1.00 52.50 H new ATOM 0 HD22 ASN A 42 8.935 -4.393 -7.130 1.00 52.50 H new ATOM 685 N VAL A 43 4.884 -7.712 -5.502 1.00 44.14 N ATOM 686 CA VAL A 43 3.996 -8.191 -4.429 1.00 34.01 C ATOM 687 C VAL A 43 4.770 -9.036 -3.396 1.00 71.21 C ATOM 688 O VAL A 43 4.198 -9.556 -2.439 1.00 25.22 O ATOM 689 CB VAL A 43 2.825 -9.027 -5.020 1.00 74.03 C ATOM 690 CG1 VAL A 43 3.329 -10.352 -5.590 1.00 25.24 C ATOM 691 CG2 VAL A 43 1.719 -9.251 -3.983 1.00 5.24 C ATOM 0 H VAL A 43 5.293 -8.455 -6.069 1.00 44.14 H new ATOM 0 HA VAL A 43 3.590 -7.315 -3.923 1.00 34.01 H new ATOM 0 HB VAL A 43 2.391 -8.456 -5.841 1.00 74.03 H new ATOM 0 HG11 VAL A 43 2.489 -10.916 -5.996 1.00 25.24 H new ATOM 0 HG12 VAL A 43 4.052 -10.156 -6.382 1.00 25.24 H new ATOM 0 HG13 VAL A 43 3.806 -10.931 -4.799 1.00 25.24 H new ATOM 0 HG21 VAL A 43 0.916 -9.838 -4.428 1.00 5.24 H new ATOM 0 HG22 VAL A 43 2.127 -9.786 -3.125 1.00 5.24 H new ATOM 0 HG23 VAL A 43 1.326 -8.288 -3.657 1.00 5.24 H new ATOM 701 N VAL A 44 6.081 -9.158 -3.592 1.00 51.32 N ATOM 702 CA VAL A 44 6.921 -9.966 -2.704 1.00 71.32 C ATOM 703 C VAL A 44 7.085 -9.318 -1.312 1.00 60.13 C ATOM 704 O VAL A 44 7.846 -8.364 -1.132 1.00 31.13 O ATOM 705 CB VAL A 44 8.311 -10.242 -3.343 1.00 10.13 C ATOM 706 CG1 VAL A 44 9.013 -8.942 -3.740 1.00 45.14 C ATOM 707 CG2 VAL A 44 9.185 -11.079 -2.408 1.00 42.22 C ATOM 0 H VAL A 44 6.586 -8.709 -4.356 1.00 51.32 H new ATOM 0 HA VAL A 44 6.409 -10.918 -2.565 1.00 71.32 H new ATOM 0 HB VAL A 44 8.148 -10.816 -4.255 1.00 10.13 H new ATOM 0 HG11 VAL A 44 9.982 -9.172 -4.183 1.00 45.14 H new ATOM 0 HG12 VAL A 44 8.401 -8.405 -4.464 1.00 45.14 H new ATOM 0 HG13 VAL A 44 9.157 -8.322 -2.855 1.00 45.14 H new ATOM 0 HG21 VAL A 44 10.152 -11.259 -2.878 1.00 42.22 H new ATOM 0 HG22 VAL A 44 9.331 -10.543 -1.470 1.00 42.22 H new ATOM 0 HG23 VAL A 44 8.696 -12.032 -2.209 1.00 42.22 H new ATOM 717 N GLU A 45 6.346 -9.841 -0.337 1.00 32.43 N ATOM 718 CA GLU A 45 6.444 -9.385 1.055 1.00 43.33 C ATOM 719 C GLU A 45 7.753 -9.859 1.719 1.00 5.42 C ATOM 720 O GLU A 45 8.674 -10.328 1.044 1.00 54.40 O ATOM 721 CB GLU A 45 5.240 -9.898 1.861 1.00 32.51 C ATOM 722 CG GLU A 45 5.087 -11.420 1.838 1.00 31.53 C ATOM 723 CD GLU A 45 3.993 -11.928 2.766 1.00 54.43 C ATOM 724 OE1 GLU A 45 3.001 -11.198 2.992 1.00 52.13 O ATOM 725 OE2 GLU A 45 4.127 -13.059 3.285 1.00 23.42 O ATOM 0 H GLU A 45 5.666 -10.587 -0.483 1.00 32.43 H new ATOM 0 HA GLU A 45 6.446 -8.295 1.047 1.00 43.33 H new ATOM 0 HB2 GLU A 45 5.339 -9.567 2.895 1.00 32.51 H new ATOM 0 HB3 GLU A 45 4.331 -9.444 1.467 1.00 32.51 H new ATOM 0 HG2 GLU A 45 4.868 -11.741 0.820 1.00 31.53 H new ATOM 0 HG3 GLU A 45 6.035 -11.878 2.120 1.00 31.53 H new ATOM 732 N ASN A 46 7.832 -9.735 3.048 1.00 15.53 N ATOM 733 CA ASN A 46 9.017 -10.174 3.793 1.00 53.32 C ATOM 734 C ASN A 46 9.190 -11.704 3.710 1.00 23.42 C ATOM 735 O ASN A 46 8.712 -12.449 4.567 1.00 62.50 O ATOM 736 CB ASN A 46 8.928 -9.713 5.255 1.00 24.41 C ATOM 737 CG ASN A 46 10.191 -10.021 6.046 1.00 24.20 C ATOM 738 OD1 ASN A 46 11.135 -9.239 6.061 1.00 64.05 O ATOM 739 ND2 ASN A 46 10.224 -11.155 6.711 1.00 43.03 N ATOM 0 H ASN A 46 7.093 -9.336 3.628 1.00 15.53 H new ATOM 0 HA ASN A 46 9.895 -9.716 3.338 1.00 53.32 H new ATOM 0 HB2 ASN A 46 8.740 -8.640 5.282 1.00 24.41 H new ATOM 0 HB3 ASN A 46 8.077 -10.198 5.733 1.00 24.41 H new ATOM 0 HD21 ASN A 46 11.049 -11.402 7.257 1.00 43.03 H new ATOM 0 HD22 ASN A 46 9.424 -11.787 6.681 1.00 43.03 H new ATOM 746 N THR A 47 9.845 -12.155 2.643 1.00 52.23 N ATOM 747 CA THR A 47 10.116 -13.581 2.425 1.00 31.52 C ATOM 748 C THR A 47 11.237 -13.771 1.391 1.00 21.00 C ATOM 749 O THR A 47 11.789 -12.793 0.878 1.00 55.21 O ATOM 750 CB THR A 47 8.847 -14.340 1.945 1.00 54.53 C ATOM 751 OG1 THR A 47 9.123 -15.747 1.822 1.00 35.42 O ATOM 752 CG2 THR A 47 8.347 -13.798 0.604 1.00 40.41 C ATOM 0 H THR A 47 10.203 -11.548 1.906 1.00 52.23 H new ATOM 0 HA THR A 47 10.428 -13.995 3.384 1.00 31.52 H new ATOM 0 HB THR A 47 8.068 -14.185 2.692 1.00 54.53 H new ATOM 0 HG1 THR A 47 8.316 -16.214 1.521 1.00 35.42 H new ATOM 0 HG21 THR A 47 7.459 -14.350 0.297 1.00 40.41 H new ATOM 0 HG22 THR A 47 8.100 -12.742 0.708 1.00 40.41 H new ATOM 0 HG23 THR A 47 9.126 -13.916 -0.149 1.00 40.41 H new ATOM 760 N ALA A 48 11.582 -15.022 1.099 1.00 1.21 N ATOM 761 CA ALA A 48 12.612 -15.333 0.098 1.00 20.21 C ATOM 762 C ALA A 48 12.179 -14.943 -1.329 1.00 31.12 C ATOM 763 O ALA A 48 11.048 -14.509 -1.556 1.00 14.43 O ATOM 764 CB ALA A 48 12.956 -16.817 0.155 1.00 74.02 C ATOM 0 H ALA A 48 11.165 -15.842 1.540 1.00 1.21 H new ATOM 0 HA ALA A 48 13.494 -14.740 0.340 1.00 20.21 H new ATOM 0 HB1 ALA A 48 13.720 -17.042 -0.589 1.00 74.02 H new ATOM 0 HB2 ALA A 48 13.332 -17.066 1.148 1.00 74.02 H new ATOM 0 HB3 ALA A 48 12.063 -17.406 -0.053 1.00 74.02 H new ATOM 770 N ASN A 49 13.090 -15.097 -2.291 1.00 41.02 N ATOM 771 CA ASN A 49 12.775 -14.823 -3.698 1.00 62.15 C ATOM 772 C ASN A 49 12.025 -16.008 -4.340 1.00 61.11 C ATOM 773 O ASN A 49 12.470 -17.156 -4.246 1.00 21.35 O ATOM 774 CB ASN A 49 14.053 -14.513 -4.486 1.00 33.14 C ATOM 775 CG ASN A 49 14.681 -13.197 -4.065 1.00 74.11 C ATOM 776 OD1 ASN A 49 14.353 -12.141 -4.594 1.00 34.24 O ATOM 777 ND2 ASN A 49 15.588 -13.246 -3.112 1.00 20.42 N ATOM 0 H ASN A 49 14.047 -15.408 -2.125 1.00 41.02 H new ATOM 0 HA ASN A 49 12.123 -13.950 -3.731 1.00 62.15 H new ATOM 0 HB2 ASN A 49 14.772 -15.319 -4.341 1.00 33.14 H new ATOM 0 HB3 ASN A 49 13.822 -14.479 -5.551 1.00 33.14 H new ATOM 0 HD21 ASN A 49 16.040 -12.389 -2.794 1.00 20.42 H new ATOM 0 HD22 ASN A 49 15.839 -14.141 -2.692 1.00 20.42 H new ATOM 784 N PRO A 50 10.873 -15.747 -4.996 1.00 71.24 N ATOM 785 CA PRO A 50 10.040 -16.803 -5.598 1.00 11.54 C ATOM 786 C PRO A 50 10.648 -17.413 -6.876 1.00 24.03 C ATOM 787 O PRO A 50 11.196 -16.708 -7.725 1.00 24.13 O ATOM 788 CB PRO A 50 8.712 -16.086 -5.928 1.00 31.21 C ATOM 789 CG PRO A 50 8.809 -14.734 -5.290 1.00 73.10 C ATOM 790 CD PRO A 50 10.275 -14.419 -5.196 1.00 64.32 C ATOM 0 HA PRO A 50 9.932 -17.647 -4.916 1.00 11.54 H new ATOM 0 HB2 PRO A 50 8.571 -16.001 -7.005 1.00 31.21 H new ATOM 0 HB3 PRO A 50 7.860 -16.642 -5.538 1.00 31.21 H new ATOM 0 HG2 PRO A 50 8.287 -13.984 -5.885 1.00 73.10 H new ATOM 0 HG3 PRO A 50 8.347 -14.735 -4.303 1.00 73.10 H new ATOM 0 HD2 PRO A 50 10.646 -13.939 -6.102 1.00 64.32 H new ATOM 0 HD3 PRO A 50 10.493 -13.746 -4.366 1.00 64.32 H new ATOM 798 N HIS A 51 10.548 -18.736 -6.999 1.00 65.11 N ATOM 799 CA HIS A 51 10.965 -19.446 -8.216 1.00 41.44 C ATOM 800 C HIS A 51 9.781 -20.201 -8.840 1.00 20.41 C ATOM 801 O HIS A 51 9.566 -20.160 -10.052 1.00 12.31 O ATOM 802 CB HIS A 51 12.107 -20.424 -7.911 1.00 23.24 C ATOM 803 CG HIS A 51 13.365 -19.756 -7.443 1.00 2.11 C ATOM 804 ND1 HIS A 51 14.493 -19.640 -8.227 1.00 52.44 N ATOM 805 CD2 HIS A 51 13.671 -19.159 -6.266 1.00 55.32 C ATOM 806 CE1 HIS A 51 15.431 -19.004 -7.558 1.00 50.02 C ATOM 807 NE2 HIS A 51 14.960 -18.701 -6.367 1.00 53.51 N ATOM 0 H HIS A 51 10.180 -19.344 -6.268 1.00 65.11 H new ATOM 0 HA HIS A 51 11.321 -18.704 -8.930 1.00 41.44 H new ATOM 0 HB2 HIS A 51 11.776 -21.129 -7.149 1.00 23.24 H new ATOM 0 HB3 HIS A 51 12.326 -21.004 -8.808 1.00 23.24 H new ATOM 0 HD2 HIS A 51 13.022 -19.062 -5.409 1.00 55.32 H new ATOM 0 HE1 HIS A 51 16.420 -18.770 -7.924 1.00 50.02 H new ATOM 0 HE2 HIS A 51 15.471 -18.205 -5.637 1.00 53.51 H new ATOM 816 N PHE A 52 9.016 -20.896 -7.999 1.00 72.42 N ATOM 817 CA PHE A 52 7.836 -21.639 -8.453 1.00 41.45 C ATOM 818 C PHE A 52 6.541 -20.870 -8.139 1.00 55.14 C ATOM 819 O PHE A 52 6.011 -20.946 -7.026 1.00 42.12 O ATOM 820 CB PHE A 52 7.802 -23.029 -7.800 1.00 72.52 C ATOM 821 CG PHE A 52 9.021 -23.867 -8.112 1.00 24.04 C ATOM 822 CD1 PHE A 52 9.092 -24.603 -9.290 1.00 51.25 C ATOM 823 CD2 PHE A 52 10.095 -23.915 -7.231 1.00 30.14 C ATOM 824 CE1 PHE A 52 10.210 -25.360 -9.584 1.00 70.21 C ATOM 825 CE2 PHE A 52 11.217 -24.670 -7.524 1.00 30.41 C ATOM 826 CZ PHE A 52 11.270 -25.397 -8.699 1.00 72.44 C ATOM 0 H PHE A 52 9.191 -20.961 -6.996 1.00 72.42 H new ATOM 0 HA PHE A 52 7.904 -21.756 -9.535 1.00 41.45 H new ATOM 0 HB2 PHE A 52 7.716 -22.913 -6.720 1.00 72.52 H new ATOM 0 HB3 PHE A 52 6.910 -23.559 -8.135 1.00 72.52 H new ATOM 0 HD1 PHE A 52 8.264 -24.583 -9.983 1.00 51.25 H new ATOM 0 HD2 PHE A 52 10.053 -23.357 -6.307 1.00 30.14 H new ATOM 0 HE1 PHE A 52 10.255 -25.922 -10.505 1.00 70.21 H new ATOM 0 HE2 PHE A 52 12.050 -24.691 -6.836 1.00 30.41 H new ATOM 0 HZ PHE A 52 12.141 -25.994 -8.925 1.00 72.44 H new ATOM 836 N VAL A 53 6.059 -20.109 -9.121 1.00 12.40 N ATOM 837 CA VAL A 53 4.822 -19.325 -8.984 1.00 43.41 C ATOM 838 C VAL A 53 4.329 -18.852 -10.362 1.00 12.25 C ATOM 839 O VAL A 53 5.131 -18.608 -11.269 1.00 24.22 O ATOM 840 CB VAL A 53 5.026 -18.100 -8.049 1.00 40.15 C ATOM 841 CG1 VAL A 53 6.071 -17.142 -8.622 1.00 63.41 C ATOM 842 CG2 VAL A 53 3.703 -17.379 -7.784 1.00 72.43 C ATOM 0 H VAL A 53 6.509 -20.016 -10.032 1.00 12.40 H new ATOM 0 HA VAL A 53 4.070 -19.974 -8.537 1.00 43.41 H new ATOM 0 HB VAL A 53 5.398 -18.469 -7.093 1.00 40.15 H new ATOM 0 HG11 VAL A 53 6.195 -16.294 -7.949 1.00 63.41 H new ATOM 0 HG12 VAL A 53 7.023 -17.663 -8.728 1.00 63.41 H new ATOM 0 HG13 VAL A 53 5.742 -16.786 -9.598 1.00 63.41 H new ATOM 0 HG21 VAL A 53 3.878 -16.527 -7.127 1.00 72.43 H new ATOM 0 HG22 VAL A 53 3.284 -17.030 -8.728 1.00 72.43 H new ATOM 0 HG23 VAL A 53 3.003 -18.066 -7.308 1.00 72.43 H new ATOM 852 N ARG A 54 3.010 -18.739 -10.530 1.00 65.14 N ATOM 853 CA ARG A 54 2.437 -18.335 -11.820 1.00 21.42 C ATOM 854 C ARG A 54 2.033 -16.851 -11.844 1.00 5.24 C ATOM 855 O ARG A 54 2.385 -16.128 -12.778 1.00 21.33 O ATOM 856 CB ARG A 54 1.233 -19.218 -12.195 1.00 33.55 C ATOM 857 CG ARG A 54 1.597 -20.677 -12.493 1.00 42.24 C ATOM 858 CD ARG A 54 1.805 -21.498 -11.222 1.00 3.33 C ATOM 859 NE ARG A 54 0.565 -21.644 -10.464 1.00 31.13 N ATOM 860 CZ ARG A 54 0.450 -22.322 -9.359 1.00 10.24 C ATOM 861 NH1 ARG A 54 1.467 -22.931 -8.843 1.00 40.02 N ATOM 862 NH2 ARG A 54 -0.698 -22.398 -8.773 1.00 23.23 N ATOM 0 H ARG A 54 2.323 -18.919 -9.798 1.00 65.14 H new ATOM 0 HA ARG A 54 3.222 -18.474 -12.563 1.00 21.42 H new ATOM 0 HB2 ARG A 54 0.510 -19.194 -11.379 1.00 33.55 H new ATOM 0 HB3 ARG A 54 0.741 -18.791 -13.069 1.00 33.55 H new ATOM 0 HG2 ARG A 54 0.806 -21.131 -13.090 1.00 42.24 H new ATOM 0 HG3 ARG A 54 2.506 -20.706 -13.094 1.00 42.24 H new ATOM 0 HD2 ARG A 54 2.189 -22.484 -11.484 1.00 3.33 H new ATOM 0 HD3 ARG A 54 2.559 -21.018 -10.598 1.00 3.33 H new ATOM 0 HE ARG A 54 -0.269 -21.182 -10.826 1.00 31.13 H new ATOM 0 HH11 ARG A 54 2.376 -22.884 -9.303 1.00 40.02 H new ATOM 0 HH12 ARG A 54 1.360 -23.458 -7.976 1.00 40.02 H new ATOM 0 HH21 ARG A 54 -1.509 -21.928 -9.176 1.00 23.23 H new ATOM 0 HH22 ARG A 54 -0.794 -22.928 -7.907 1.00 23.23 H new ATOM 876 N ARG A 55 1.301 -16.389 -10.827 1.00 53.12 N ATOM 877 CA ARG A 55 0.831 -14.994 -10.802 1.00 73.21 C ATOM 878 C ARG A 55 0.960 -14.350 -9.410 1.00 21.03 C ATOM 879 O ARG A 55 1.329 -15.001 -8.433 1.00 24.42 O ATOM 880 CB ARG A 55 -0.631 -14.907 -11.269 1.00 73.40 C ATOM 881 CG ARG A 55 -1.627 -15.581 -10.326 1.00 35.44 C ATOM 882 CD ARG A 55 -3.068 -15.275 -10.718 1.00 74.41 C ATOM 883 NE ARG A 55 -4.029 -15.831 -9.770 1.00 60.32 N ATOM 884 CZ ARG A 55 -4.949 -15.131 -9.162 1.00 4.41 C ATOM 885 NH1 ARG A 55 -5.042 -13.853 -9.358 1.00 74.30 N ATOM 886 NH2 ARG A 55 -5.773 -15.715 -8.358 1.00 62.03 N ATOM 0 H ARG A 55 1.022 -16.947 -10.020 1.00 53.12 H new ATOM 0 HA ARG A 55 1.474 -14.440 -11.486 1.00 73.21 H new ATOM 0 HB2 ARG A 55 -0.904 -13.858 -11.380 1.00 73.40 H new ATOM 0 HB3 ARG A 55 -0.714 -15.364 -12.255 1.00 73.40 H new ATOM 0 HG2 ARG A 55 -1.467 -16.659 -10.338 1.00 35.44 H new ATOM 0 HG3 ARG A 55 -1.448 -15.243 -9.305 1.00 35.44 H new ATOM 0 HD2 ARG A 55 -3.204 -14.195 -10.779 1.00 74.41 H new ATOM 0 HD3 ARG A 55 -3.266 -15.678 -11.711 1.00 74.41 H new ATOM 0 HE ARG A 55 -3.979 -16.830 -9.570 1.00 60.32 H new ATOM 0 HH11 ARG A 55 -4.393 -13.386 -9.992 1.00 74.30 H new ATOM 0 HH12 ARG A 55 -5.764 -13.315 -8.879 1.00 74.30 H new ATOM 0 HH21 ARG A 55 -5.704 -16.720 -8.199 1.00 62.03 H new ATOM 0 HH22 ARG A 55 -6.493 -15.171 -7.882 1.00 62.03 H new ATOM 900 N ASN A 56 0.633 -13.059 -9.342 1.00 61.33 N ATOM 901 CA ASN A 56 0.704 -12.280 -8.097 1.00 0.51 C ATOM 902 C ASN A 56 -0.637 -12.280 -7.332 1.00 30.43 C ATOM 903 O ASN A 56 -1.603 -11.637 -7.741 1.00 21.34 O ATOM 904 CB ASN A 56 1.135 -10.842 -8.429 1.00 53.22 C ATOM 905 CG ASN A 56 0.348 -10.252 -9.591 1.00 13.23 C ATOM 906 OD1 ASN A 56 0.724 -10.400 -10.747 1.00 13.22 O ATOM 907 ND2 ASN A 56 -0.757 -9.599 -9.300 1.00 51.44 N ATOM 0 H ASN A 56 0.311 -12.520 -10.146 1.00 61.33 H new ATOM 0 HA ASN A 56 1.439 -12.748 -7.442 1.00 0.51 H new ATOM 0 HB2 ASN A 56 1.002 -10.214 -7.548 1.00 53.22 H new ATOM 0 HB3 ASN A 56 2.198 -10.831 -8.671 1.00 53.22 H new ATOM 0 HD21 ASN A 56 -1.325 -9.200 -10.047 1.00 51.44 H new ATOM 0 HD22 ASN A 56 -1.045 -9.492 -8.327 1.00 51.44 H new ATOM 914 N ILE A 57 -0.688 -13.006 -6.216 1.00 42.03 N ATOM 915 CA ILE A 57 -1.890 -13.049 -5.375 1.00 62.24 C ATOM 916 C ILE A 57 -1.915 -11.871 -4.384 1.00 64.14 C ATOM 917 O ILE A 57 -1.229 -11.888 -3.360 1.00 42.41 O ATOM 918 CB ILE A 57 -2.005 -14.389 -4.585 1.00 72.10 C ATOM 919 CG1 ILE A 57 -2.169 -15.593 -5.538 1.00 52.31 C ATOM 920 CG2 ILE A 57 -3.171 -14.340 -3.593 1.00 72.44 C ATOM 921 CD1 ILE A 57 -0.920 -15.951 -6.317 1.00 0.35 C ATOM 0 H ILE A 57 0.087 -13.573 -5.871 1.00 42.03 H new ATOM 0 HA ILE A 57 -2.743 -12.973 -6.050 1.00 62.24 H new ATOM 0 HB ILE A 57 -1.077 -14.519 -4.028 1.00 72.10 H new ATOM 0 HG12 ILE A 57 -2.481 -16.461 -4.957 1.00 52.31 H new ATOM 0 HG13 ILE A 57 -2.972 -15.376 -6.243 1.00 52.31 H new ATOM 0 HG21 ILE A 57 -3.230 -15.286 -3.054 1.00 72.44 H new ATOM 0 HG22 ILE A 57 -3.011 -13.528 -2.884 1.00 72.44 H new ATOM 0 HG23 ILE A 57 -4.102 -14.171 -4.134 1.00 72.44 H new ATOM 0 HD11 ILE A 57 -1.125 -16.807 -6.960 1.00 0.35 H new ATOM 0 HD12 ILE A 57 -0.617 -15.101 -6.929 1.00 0.35 H new ATOM 0 HD13 ILE A 57 -0.118 -16.203 -5.623 1.00 0.35 H new ATOM 933 N ILE A 58 -2.695 -10.842 -4.705 1.00 44.03 N ATOM 934 CA ILE A 58 -2.831 -9.669 -3.835 1.00 45.41 C ATOM 935 C ILE A 58 -4.073 -9.783 -2.934 1.00 74.41 C ATOM 936 O ILE A 58 -5.208 -9.815 -3.417 1.00 53.35 O ATOM 937 CB ILE A 58 -2.918 -8.359 -4.667 1.00 72.42 C ATOM 938 CG1 ILE A 58 -1.679 -8.218 -5.572 1.00 63.23 C ATOM 939 CG2 ILE A 58 -3.062 -7.142 -3.746 1.00 70.33 C ATOM 940 CD1 ILE A 58 -1.688 -6.973 -6.437 1.00 30.22 C ATOM 0 H ILE A 58 -3.245 -10.793 -5.563 1.00 44.03 H new ATOM 0 HA ILE A 58 -1.940 -9.633 -3.208 1.00 45.41 H new ATOM 0 HB ILE A 58 -3.803 -8.408 -5.301 1.00 72.42 H new ATOM 0 HG12 ILE A 58 -0.785 -8.209 -4.948 1.00 63.23 H new ATOM 0 HG13 ILE A 58 -1.610 -9.095 -6.216 1.00 63.23 H new ATOM 0 HG21 ILE A 58 -3.121 -6.235 -4.348 1.00 70.33 H new ATOM 0 HG22 ILE A 58 -3.969 -7.242 -3.150 1.00 70.33 H new ATOM 0 HG23 ILE A 58 -2.198 -7.082 -3.084 1.00 70.33 H new ATOM 0 HD11 ILE A 58 -0.784 -6.946 -7.045 1.00 30.22 H new ATOM 0 HD12 ILE A 58 -2.562 -6.988 -7.088 1.00 30.22 H new ATOM 0 HD13 ILE A 58 -1.725 -6.088 -5.801 1.00 30.22 H new ATOM 952 N THR A 59 -3.845 -9.856 -1.624 1.00 20.14 N ATOM 953 CA THR A 59 -4.935 -9.949 -0.641 1.00 75.35 C ATOM 954 C THR A 59 -4.554 -9.253 0.674 1.00 13.22 C ATOM 955 O THR A 59 -3.452 -8.717 0.805 1.00 41.43 O ATOM 956 CB THR A 59 -5.313 -11.423 -0.350 1.00 52.43 C ATOM 957 OG1 THR A 59 -6.432 -11.489 0.556 1.00 54.24 O ATOM 958 CG2 THR A 59 -4.128 -12.187 0.239 1.00 42.41 C ATOM 0 H THR A 59 -2.912 -9.853 -1.212 1.00 20.14 H new ATOM 0 HA THR A 59 -5.798 -9.445 -1.076 1.00 75.35 H new ATOM 0 HB THR A 59 -5.591 -11.887 -1.296 1.00 52.43 H new ATOM 0 HG1 THR A 59 -6.109 -11.673 1.463 1.00 54.24 H new ATOM 0 HG21 THR A 59 -4.421 -13.219 0.434 1.00 42.41 H new ATOM 0 HG22 THR A 59 -3.298 -12.173 -0.468 1.00 42.41 H new ATOM 0 HG23 THR A 59 -3.818 -11.715 1.172 1.00 42.41 H new ATOM 966 N ARG A 60 -5.462 -9.269 1.649 1.00 74.21 N ATOM 967 CA ARG A 60 -5.223 -8.625 2.949 1.00 25.01 C ATOM 968 C ARG A 60 -4.062 -9.291 3.713 1.00 63.14 C ATOM 969 O ARG A 60 -3.971 -10.519 3.779 1.00 1.44 O ATOM 970 CB ARG A 60 -6.498 -8.668 3.807 1.00 14.21 C ATOM 971 CG ARG A 60 -6.313 -8.107 5.216 1.00 21.33 C ATOM 972 CD ARG A 60 -7.582 -8.216 6.052 1.00 64.41 C ATOM 973 NE ARG A 60 -7.352 -7.773 7.425 1.00 2.43 N ATOM 974 CZ ARG A 60 -8.283 -7.647 8.332 1.00 1.31 C ATOM 975 NH1 ARG A 60 -9.519 -7.907 8.058 1.00 52.35 N ATOM 976 NH2 ARG A 60 -7.969 -7.256 9.524 1.00 31.24 N ATOM 0 H ARG A 60 -6.373 -9.721 1.567 1.00 74.21 H new ATOM 0 HA ARG A 60 -4.948 -7.589 2.753 1.00 25.01 H new ATOM 0 HB2 ARG A 60 -7.283 -8.105 3.302 1.00 14.21 H new ATOM 0 HB3 ARG A 60 -6.841 -9.700 3.879 1.00 14.21 H new ATOM 0 HG2 ARG A 60 -5.505 -8.642 5.715 1.00 21.33 H new ATOM 0 HG3 ARG A 60 -6.011 -7.062 5.152 1.00 21.33 H new ATOM 0 HD2 ARG A 60 -8.370 -7.614 5.600 1.00 64.41 H new ATOM 0 HD3 ARG A 60 -7.931 -9.249 6.054 1.00 64.41 H new ATOM 0 HE ARG A 60 -6.395 -7.546 7.695 1.00 2.43 H new ATOM 0 HH11 ARG A 60 -9.780 -8.216 7.121 1.00 52.35 H new ATOM 0 HH12 ARG A 60 -10.234 -7.803 8.778 1.00 52.35 H new ATOM 0 HH21 ARG A 60 -6.997 -7.047 9.753 1.00 31.24 H new ATOM 0 HH22 ARG A 60 -8.693 -7.156 10.235 1.00 31.24 H new ATOM 990 N GLY A 61 -3.188 -8.473 4.297 1.00 53.35 N ATOM 991 CA GLY A 61 -2.061 -8.993 5.072 1.00 23.22 C ATOM 992 C GLY A 61 -0.748 -8.994 4.298 1.00 3.24 C ATOM 993 O GLY A 61 0.335 -9.026 4.891 1.00 21.13 O ATOM 0 H GLY A 61 -3.237 -7.455 4.250 1.00 53.35 H new ATOM 0 HA2 GLY A 61 -1.942 -8.394 5.975 1.00 23.22 H new ATOM 0 HA3 GLY A 61 -2.287 -10.010 5.392 1.00 23.22 H new ATOM 997 N ALA A 62 -0.841 -8.956 2.973 1.00 72.31 N ATOM 998 CA ALA A 62 0.344 -8.964 2.109 1.00 72.44 C ATOM 999 C ALA A 62 0.989 -7.570 2.016 1.00 35.34 C ATOM 1000 O ALA A 62 0.319 -6.547 2.180 1.00 4.51 O ATOM 1001 CB ALA A 62 -0.029 -9.472 0.719 1.00 33.25 C ATOM 0 H ALA A 62 -1.727 -8.919 2.468 1.00 72.31 H new ATOM 0 HA ALA A 62 1.079 -9.636 2.553 1.00 72.44 H new ATOM 0 HB1 ALA A 62 0.856 -9.475 0.083 1.00 33.25 H new ATOM 0 HB2 ALA A 62 -0.424 -10.485 0.796 1.00 33.25 H new ATOM 0 HB3 ALA A 62 -0.786 -8.819 0.284 1.00 33.25 H new ATOM 1007 N VAL A 63 2.293 -7.539 1.758 1.00 52.11 N ATOM 1008 CA VAL A 63 3.024 -6.278 1.589 1.00 43.55 C ATOM 1009 C VAL A 63 3.469 -6.097 0.130 1.00 34.43 C ATOM 1010 O VAL A 63 4.226 -6.908 -0.402 1.00 30.33 O ATOM 1011 CB VAL A 63 4.266 -6.217 2.514 1.00 75.40 C ATOM 1012 CG1 VAL A 63 4.992 -4.882 2.367 1.00 42.14 C ATOM 1013 CG2 VAL A 63 3.867 -6.462 3.969 1.00 23.34 C ATOM 0 H VAL A 63 2.871 -8.374 1.660 1.00 52.11 H new ATOM 0 HA VAL A 63 2.343 -5.472 1.862 1.00 43.55 H new ATOM 0 HB VAL A 63 4.953 -7.007 2.211 1.00 75.40 H new ATOM 0 HG11 VAL A 63 5.860 -4.865 3.027 1.00 42.14 H new ATOM 0 HG12 VAL A 63 5.319 -4.757 1.335 1.00 42.14 H new ATOM 0 HG13 VAL A 63 4.317 -4.069 2.635 1.00 42.14 H new ATOM 0 HG21 VAL A 63 4.753 -6.415 4.602 1.00 23.34 H new ATOM 0 HG22 VAL A 63 3.155 -5.699 4.284 1.00 23.34 H new ATOM 0 HG23 VAL A 63 3.408 -7.447 4.060 1.00 23.34 H new ATOM 1023 N VAL A 64 2.998 -5.029 -0.512 1.00 52.32 N ATOM 1024 CA VAL A 64 3.310 -4.774 -1.922 1.00 44.14 C ATOM 1025 C VAL A 64 4.375 -3.674 -2.092 1.00 2.01 C ATOM 1026 O VAL A 64 4.293 -2.602 -1.490 1.00 24.22 O ATOM 1027 CB VAL A 64 2.035 -4.389 -2.721 1.00 63.21 C ATOM 1028 CG1 VAL A 64 1.046 -5.555 -2.752 1.00 53.55 C ATOM 1029 CG2 VAL A 64 1.375 -3.137 -2.139 1.00 42.11 C ATOM 0 H VAL A 64 2.399 -4.325 -0.080 1.00 52.32 H new ATOM 0 HA VAL A 64 3.714 -5.705 -2.320 1.00 44.14 H new ATOM 0 HB VAL A 64 2.336 -4.164 -3.744 1.00 63.21 H new ATOM 0 HG11 VAL A 64 0.160 -5.265 -3.316 1.00 53.55 H new ATOM 0 HG12 VAL A 64 1.514 -6.416 -3.228 1.00 53.55 H new ATOM 0 HG13 VAL A 64 0.759 -5.815 -1.733 1.00 53.55 H new ATOM 0 HG21 VAL A 64 0.485 -2.892 -2.719 1.00 42.11 H new ATOM 0 HG22 VAL A 64 1.093 -3.323 -1.103 1.00 42.11 H new ATOM 0 HG23 VAL A 64 2.076 -2.303 -2.180 1.00 42.11 H new ATOM 1039 N GLU A 65 5.382 -3.961 -2.913 1.00 63.32 N ATOM 1040 CA GLU A 65 6.445 -2.997 -3.225 1.00 40.43 C ATOM 1041 C GLU A 65 5.975 -1.986 -4.285 1.00 24.31 C ATOM 1042 O GLU A 65 5.916 -2.303 -5.474 1.00 14.52 O ATOM 1043 CB GLU A 65 7.695 -3.743 -3.723 1.00 43.14 C ATOM 1044 CG GLU A 65 8.810 -2.839 -4.251 1.00 2.10 C ATOM 1045 CD GLU A 65 9.447 -1.965 -3.177 1.00 52.01 C ATOM 1046 OE1 GLU A 65 10.291 -2.474 -2.414 1.00 43.50 O ATOM 1047 OE2 GLU A 65 9.111 -0.764 -3.109 1.00 1.45 O ATOM 0 H GLU A 65 5.488 -4.861 -3.380 1.00 63.32 H new ATOM 0 HA GLU A 65 6.691 -2.447 -2.316 1.00 40.43 H new ATOM 0 HB2 GLU A 65 8.091 -4.346 -2.906 1.00 43.14 H new ATOM 0 HB3 GLU A 65 7.399 -4.432 -4.514 1.00 43.14 H new ATOM 0 HG2 GLU A 65 9.582 -3.458 -4.709 1.00 2.10 H new ATOM 0 HG3 GLU A 65 8.407 -2.199 -5.036 1.00 2.10 H new ATOM 1054 N THR A 66 5.630 -0.779 -3.848 1.00 34.32 N ATOM 1055 CA THR A 66 5.168 0.281 -4.758 1.00 20.21 C ATOM 1056 C THR A 66 6.291 1.280 -5.054 1.00 14.10 C ATOM 1057 O THR A 66 7.365 1.215 -4.457 1.00 21.03 O ATOM 1058 CB THR A 66 3.967 1.060 -4.167 1.00 64.31 C ATOM 1059 OG1 THR A 66 4.397 1.877 -3.067 1.00 10.20 O ATOM 1060 CG2 THR A 66 2.872 0.106 -3.698 1.00 10.24 C ATOM 0 H THR A 66 5.659 -0.503 -2.866 1.00 34.32 H new ATOM 0 HA THR A 66 4.858 -0.215 -5.678 1.00 20.21 H new ATOM 0 HB THR A 66 3.561 1.696 -4.954 1.00 64.31 H new ATOM 0 HG1 THR A 66 4.679 1.303 -2.324 1.00 10.20 H new ATOM 0 HG21 THR A 66 2.041 0.680 -3.288 1.00 10.24 H new ATOM 0 HG22 THR A 66 2.521 -0.488 -4.542 1.00 10.24 H new ATOM 0 HG23 THR A 66 3.271 -0.556 -2.929 1.00 10.24 H new ATOM 1068 N ASN A 67 6.044 2.210 -5.974 1.00 63.42 N ATOM 1069 CA ASN A 67 7.039 3.238 -6.311 1.00 32.20 C ATOM 1070 C ASN A 67 7.386 4.116 -5.091 1.00 32.14 C ATOM 1071 O ASN A 67 8.498 4.634 -4.981 1.00 53.20 O ATOM 1072 CB ASN A 67 6.548 4.109 -7.474 1.00 2.01 C ATOM 1073 CG ASN A 67 5.209 4.769 -7.194 1.00 52.11 C ATOM 1074 OD1 ASN A 67 4.351 4.214 -6.513 1.00 24.50 O ATOM 1075 ND2 ASN A 67 5.020 5.963 -7.713 1.00 52.43 N ATOM 0 H ASN A 67 5.172 2.277 -6.499 1.00 63.42 H new ATOM 0 HA ASN A 67 7.949 2.722 -6.619 1.00 32.20 H new ATOM 0 HB2 ASN A 67 7.290 4.879 -7.683 1.00 2.01 H new ATOM 0 HB3 ASN A 67 6.464 3.495 -8.371 1.00 2.01 H new ATOM 0 HD21 ASN A 67 4.141 6.455 -7.554 1.00 52.43 H new ATOM 0 HD22 ASN A 67 5.753 6.397 -8.274 1.00 52.43 H new ATOM 1082 N LEU A 68 6.428 4.272 -4.178 1.00 40.41 N ATOM 1083 CA LEU A 68 6.653 5.020 -2.937 1.00 52.54 C ATOM 1084 C LEU A 68 7.374 4.151 -1.889 1.00 14.41 C ATOM 1085 O LEU A 68 8.148 4.655 -1.072 1.00 21.34 O ATOM 1086 CB LEU A 68 5.315 5.523 -2.364 1.00 30.42 C ATOM 1087 CG LEU A 68 4.538 6.503 -3.259 1.00 70.32 C ATOM 1088 CD1 LEU A 68 3.225 6.919 -2.599 1.00 4.24 C ATOM 1089 CD2 LEU A 68 5.384 7.730 -3.582 1.00 43.51 C ATOM 0 H LEU A 68 5.487 3.891 -4.273 1.00 40.41 H new ATOM 0 HA LEU A 68 7.287 5.875 -3.173 1.00 52.54 H new ATOM 0 HB2 LEU A 68 4.679 4.661 -2.162 1.00 30.42 H new ATOM 0 HB3 LEU A 68 5.509 6.008 -1.407 1.00 30.42 H new ATOM 0 HG LEU A 68 4.305 5.991 -4.193 1.00 70.32 H new ATOM 0 HD11 LEU A 68 2.694 7.612 -3.251 1.00 4.24 H new ATOM 0 HD12 LEU A 68 2.608 6.037 -2.428 1.00 4.24 H new ATOM 0 HD13 LEU A 68 3.435 7.406 -1.646 1.00 4.24 H new ATOM 0 HD21 LEU A 68 4.813 8.409 -4.216 1.00 43.51 H new ATOM 0 HD22 LEU A 68 5.655 8.239 -2.657 1.00 43.51 H new ATOM 0 HD23 LEU A 68 6.289 7.421 -4.104 1.00 43.51 H new ATOM 1101 N GLY A 69 7.126 2.844 -1.925 1.00 31.41 N ATOM 1102 CA GLY A 69 7.709 1.942 -0.935 1.00 44.52 C ATOM 1103 C GLY A 69 6.811 0.749 -0.617 1.00 14.53 C ATOM 1104 O GLY A 69 5.877 0.448 -1.359 1.00 23.44 O ATOM 0 H GLY A 69 6.533 2.390 -2.620 1.00 31.41 H new ATOM 0 HA2 GLY A 69 8.669 1.580 -1.302 1.00 44.52 H new ATOM 0 HA3 GLY A 69 7.907 2.496 -0.018 1.00 44.52 H new ATOM 1108 N ASN A 70 7.082 0.079 0.499 1.00 52.23 N ATOM 1109 CA ASN A 70 6.330 -1.123 0.882 1.00 72.30 C ATOM 1110 C ASN A 70 4.992 -0.768 1.549 1.00 74.31 C ATOM 1111 O ASN A 70 4.952 -0.107 2.587 1.00 62.31 O ATOM 1112 CB ASN A 70 7.171 -1.991 1.819 1.00 50.34 C ATOM 1113 CG ASN A 70 8.515 -2.356 1.219 1.00 41.34 C ATOM 1114 OD1 ASN A 70 9.487 -2.536 1.933 1.00 52.01 O ATOM 1115 ND2 ASN A 70 8.582 -2.461 -0.095 1.00 30.10 N ATOM 0 H ASN A 70 7.815 0.344 1.157 1.00 52.23 H new ATOM 0 HA ASN A 70 6.109 -1.681 -0.028 1.00 72.30 H new ATOM 0 HB2 ASN A 70 7.328 -1.460 2.758 1.00 50.34 H new ATOM 0 HB3 ASN A 70 6.622 -2.903 2.055 1.00 50.34 H new ATOM 0 HD21 ASN A 70 9.467 -2.699 -0.543 1.00 30.10 H new ATOM 0 HD22 ASN A 70 7.749 -2.304 -0.662 1.00 30.10 H new ATOM 1122 N VAL A 71 3.899 -1.218 0.946 1.00 20.01 N ATOM 1123 CA VAL A 71 2.556 -0.933 1.452 1.00 5.33 C ATOM 1124 C VAL A 71 1.856 -2.212 1.947 1.00 62.43 C ATOM 1125 O VAL A 71 1.665 -3.159 1.184 1.00 62.32 O ATOM 1126 CB VAL A 71 1.692 -0.264 0.356 1.00 70.54 C ATOM 1127 CG1 VAL A 71 0.310 0.108 0.890 1.00 62.00 C ATOM 1128 CG2 VAL A 71 2.406 0.961 -0.214 1.00 65.13 C ATOM 0 H VAL A 71 3.914 -1.786 0.099 1.00 20.01 H new ATOM 0 HA VAL A 71 2.665 -0.251 2.295 1.00 5.33 H new ATOM 0 HB VAL A 71 1.550 -0.985 -0.449 1.00 70.54 H new ATOM 0 HG11 VAL A 71 -0.273 0.576 0.097 1.00 62.00 H new ATOM 0 HG12 VAL A 71 -0.201 -0.791 1.234 1.00 62.00 H new ATOM 0 HG13 VAL A 71 0.417 0.805 1.721 1.00 62.00 H new ATOM 0 HG21 VAL A 71 1.784 1.419 -0.983 1.00 65.13 H new ATOM 0 HG22 VAL A 71 2.586 1.681 0.584 1.00 65.13 H new ATOM 0 HG23 VAL A 71 3.358 0.657 -0.650 1.00 65.13 H new ATOM 1138 N ARG A 72 1.478 -2.241 3.225 1.00 52.42 N ATOM 1139 CA ARG A 72 0.790 -3.406 3.798 1.00 43.41 C ATOM 1140 C ARG A 72 -0.725 -3.317 3.582 1.00 4.13 C ATOM 1141 O ARG A 72 -1.387 -2.422 4.110 1.00 41.33 O ATOM 1142 CB ARG A 72 1.111 -3.544 5.293 1.00 43.21 C ATOM 1143 CG ARG A 72 0.370 -4.694 5.978 1.00 13.33 C ATOM 1144 CD ARG A 72 1.058 -5.136 7.267 1.00 73.11 C ATOM 1145 NE ARG A 72 2.232 -5.971 7.001 1.00 74.24 N ATOM 1146 CZ ARG A 72 3.413 -5.796 7.538 1.00 15.10 C ATOM 1147 NH1 ARG A 72 3.625 -4.847 8.396 1.00 1.33 N ATOM 1148 NH2 ARG A 72 4.380 -6.598 7.228 1.00 72.32 N ATOM 0 H ARG A 72 1.634 -1.477 3.883 1.00 52.42 H new ATOM 0 HA ARG A 72 1.153 -4.294 3.281 1.00 43.41 H new ATOM 0 HB2 ARG A 72 2.184 -3.693 5.413 1.00 43.21 H new ATOM 0 HB3 ARG A 72 0.860 -2.611 5.797 1.00 43.21 H new ATOM 0 HG2 ARG A 72 -0.651 -4.385 6.201 1.00 13.33 H new ATOM 0 HG3 ARG A 72 0.305 -5.540 5.294 1.00 13.33 H new ATOM 0 HD2 ARG A 72 1.359 -4.257 7.837 1.00 73.11 H new ATOM 0 HD3 ARG A 72 0.351 -5.690 7.884 1.00 73.11 H new ATOM 0 HE ARG A 72 2.121 -6.747 6.348 1.00 74.24 H new ATOM 0 HH11 ARG A 72 2.865 -4.222 8.663 1.00 1.33 H new ATOM 0 HH12 ARG A 72 4.552 -4.726 8.804 1.00 1.33 H new ATOM 0 HH21 ARG A 72 4.219 -7.360 6.569 1.00 72.32 H new ATOM 0 HH22 ARG A 72 5.303 -6.468 7.642 1.00 72.32 H new ATOM 1162 N VAL A 73 -1.264 -4.259 2.819 1.00 62.02 N ATOM 1163 CA VAL A 73 -2.684 -4.253 2.452 1.00 13.00 C ATOM 1164 C VAL A 73 -3.598 -4.497 3.667 1.00 60.43 C ATOM 1165 O VAL A 73 -3.643 -5.602 4.217 1.00 5.10 O ATOM 1166 CB VAL A 73 -2.985 -5.318 1.365 1.00 43.30 C ATOM 1167 CG1 VAL A 73 -4.459 -5.280 0.961 1.00 62.43 C ATOM 1168 CG2 VAL A 73 -2.081 -5.120 0.148 1.00 61.43 C ATOM 0 H VAL A 73 -0.738 -5.045 2.437 1.00 62.02 H new ATOM 0 HA VAL A 73 -2.895 -3.260 2.056 1.00 13.00 H new ATOM 0 HB VAL A 73 -2.776 -6.302 1.786 1.00 43.30 H new ATOM 0 HG11 VAL A 73 -4.647 -6.035 0.198 1.00 62.43 H new ATOM 0 HG12 VAL A 73 -5.081 -5.483 1.833 1.00 62.43 H new ATOM 0 HG13 VAL A 73 -4.702 -4.295 0.564 1.00 62.43 H new ATOM 0 HG21 VAL A 73 -2.309 -5.878 -0.602 1.00 61.43 H new ATOM 0 HG22 VAL A 73 -2.251 -4.129 -0.274 1.00 61.43 H new ATOM 0 HG23 VAL A 73 -1.038 -5.212 0.451 1.00 61.43 H new ATOM 1178 N THR A 74 -4.317 -3.455 4.080 1.00 33.35 N ATOM 1179 CA THR A 74 -5.289 -3.553 5.176 1.00 43.41 C ATOM 1180 C THR A 74 -6.661 -3.979 4.647 1.00 61.11 C ATOM 1181 O THR A 74 -7.212 -5.006 5.051 1.00 43.12 O ATOM 1182 CB THR A 74 -5.450 -2.201 5.913 1.00 15.00 C ATOM 1183 OG1 THR A 74 -5.831 -1.178 4.977 1.00 72.42 O ATOM 1184 CG2 THR A 74 -4.158 -1.795 6.612 1.00 31.03 C ATOM 0 H THR A 74 -4.246 -2.524 3.670 1.00 33.35 H new ATOM 0 HA THR A 74 -4.907 -4.300 5.872 1.00 43.41 H new ATOM 0 HB THR A 74 -6.227 -2.319 6.669 1.00 15.00 H new ATOM 0 HG1 THR A 74 -5.933 -0.325 5.448 1.00 72.42 H new ATOM 0 HG21 THR A 74 -4.303 -0.842 7.120 1.00 31.03 H new ATOM 0 HG22 THR A 74 -3.884 -2.557 7.342 1.00 31.03 H new ATOM 0 HG23 THR A 74 -3.361 -1.695 5.875 1.00 31.03 H new ATOM 1192 N SER A 75 -7.208 -3.175 3.744 1.00 45.54 N ATOM 1193 CA SER A 75 -8.497 -3.473 3.112 1.00 31.41 C ATOM 1194 C SER A 75 -8.306 -4.289 1.827 1.00 51.14 C ATOM 1195 O SER A 75 -7.742 -3.798 0.845 1.00 72.41 O ATOM 1196 CB SER A 75 -9.258 -2.178 2.796 1.00 20.14 C ATOM 1197 OG SER A 75 -9.522 -1.424 3.972 1.00 10.00 O ATOM 0 H SER A 75 -6.780 -2.305 3.428 1.00 45.54 H new ATOM 0 HA SER A 75 -9.081 -4.065 3.816 1.00 31.41 H new ATOM 0 HB2 SER A 75 -8.676 -1.574 2.100 1.00 20.14 H new ATOM 0 HB3 SER A 75 -10.198 -2.420 2.300 1.00 20.14 H new ATOM 0 HG SER A 75 -10.006 -0.606 3.734 1.00 10.00 H new ATOM 1203 N ARG A 76 -8.779 -5.532 1.846 1.00 11.44 N ATOM 1204 CA ARG A 76 -8.673 -6.434 0.692 1.00 22.31 C ATOM 1205 C ARG A 76 -9.265 -5.807 -0.592 1.00 12.00 C ATOM 1206 O ARG A 76 -10.294 -5.126 -0.540 1.00 74.32 O ATOM 1207 CB ARG A 76 -9.374 -7.766 1.015 1.00 52.52 C ATOM 1208 CG ARG A 76 -9.495 -8.719 -0.173 1.00 23.34 C ATOM 1209 CD ARG A 76 -10.052 -10.081 0.233 1.00 34.23 C ATOM 1210 NE ARG A 76 -10.419 -10.885 -0.933 1.00 11.53 N ATOM 1211 CZ ARG A 76 -9.812 -11.980 -1.306 1.00 34.41 C ATOM 1212 NH1 ARG A 76 -8.781 -12.422 -0.658 1.00 21.13 N ATOM 1213 NH2 ARG A 76 -10.239 -12.631 -2.338 1.00 64.32 N ATOM 0 H ARG A 76 -9.245 -5.945 2.654 1.00 11.44 H new ATOM 0 HA ARG A 76 -7.615 -6.613 0.500 1.00 22.31 H new ATOM 0 HB2 ARG A 76 -8.826 -8.267 1.813 1.00 52.52 H new ATOM 0 HB3 ARG A 76 -10.372 -7.554 1.398 1.00 52.52 H new ATOM 0 HG2 ARG A 76 -10.143 -8.274 -0.928 1.00 23.34 H new ATOM 0 HG3 ARG A 76 -8.515 -8.851 -0.631 1.00 23.34 H new ATOM 0 HD2 ARG A 76 -9.309 -10.616 0.825 1.00 34.23 H new ATOM 0 HD3 ARG A 76 -10.926 -9.942 0.869 1.00 34.23 H new ATOM 0 HE ARG A 76 -11.207 -10.567 -1.497 1.00 11.53 H new ATOM 0 HH11 ARG A 76 -8.433 -11.914 0.155 1.00 21.13 H new ATOM 0 HH12 ARG A 76 -8.317 -13.278 -0.961 1.00 21.13 H new ATOM 0 HH21 ARG A 76 -11.047 -12.289 -2.858 1.00 64.32 H new ATOM 0 HH22 ARG A 76 -9.768 -13.486 -2.632 1.00 64.32 H new ATOM 1227 N PRO A 77 -8.598 -6.013 -1.758 1.00 12.13 N ATOM 1228 CA PRO A 77 -9.072 -5.532 -3.066 1.00 2.32 C ATOM 1229 C PRO A 77 -10.596 -5.657 -3.255 1.00 64.24 C ATOM 1230 O PRO A 77 -11.129 -6.757 -3.415 1.00 34.41 O ATOM 1231 CB PRO A 77 -8.321 -6.434 -4.079 1.00 31.41 C ATOM 1232 CG PRO A 77 -7.450 -7.348 -3.262 1.00 74.14 C ATOM 1233 CD PRO A 77 -7.314 -6.712 -1.906 1.00 13.52 C ATOM 0 HA PRO A 77 -8.875 -4.467 -3.187 1.00 2.32 H new ATOM 0 HB2 PRO A 77 -9.023 -7.005 -4.686 1.00 31.41 H new ATOM 0 HB3 PRO A 77 -7.721 -5.835 -4.764 1.00 31.41 H new ATOM 0 HG2 PRO A 77 -7.896 -8.339 -3.182 1.00 74.14 H new ATOM 0 HG3 PRO A 77 -6.474 -7.474 -3.730 1.00 74.14 H new ATOM 0 HD2 PRO A 77 -7.162 -7.454 -1.122 1.00 13.52 H new ATOM 0 HD3 PRO A 77 -6.469 -6.025 -1.862 1.00 13.52 H new ATOM 1241 N GLY A 78 -11.288 -4.520 -3.230 1.00 70.44 N ATOM 1242 CA GLY A 78 -12.736 -4.518 -3.404 1.00 20.41 C ATOM 1243 C GLY A 78 -13.404 -3.297 -2.782 1.00 52.24 C ATOM 1244 O GLY A 78 -14.389 -2.783 -3.312 1.00 73.32 O ATOM 0 H GLY A 78 -10.874 -3.598 -3.092 1.00 70.44 H new ATOM 0 HA2 GLY A 78 -12.970 -4.552 -4.468 1.00 20.41 H new ATOM 0 HA3 GLY A 78 -13.152 -5.421 -2.958 1.00 20.41 H new ATOM 1248 N GLN A 79 -12.862 -2.832 -1.657 1.00 63.13 N ATOM 1249 CA GLN A 79 -13.366 -1.626 -0.981 1.00 52.35 C ATOM 1250 C GLN A 79 -13.391 -0.420 -1.938 1.00 21.35 C ATOM 1251 O GLN A 79 -12.343 0.033 -2.396 1.00 3.43 O ATOM 1252 CB GLN A 79 -12.489 -1.309 0.238 1.00 4.21 C ATOM 1253 CG GLN A 79 -12.549 -2.364 1.341 1.00 4.14 C ATOM 1254 CD GLN A 79 -13.896 -2.402 2.046 1.00 71.43 C ATOM 1255 OE1 GLN A 79 -14.799 -3.138 1.657 1.00 63.23 O ATOM 1256 NE2 GLN A 79 -14.045 -1.602 3.085 1.00 54.14 N ATOM 0 H GLN A 79 -12.070 -3.271 -1.189 1.00 63.13 H new ATOM 0 HA GLN A 79 -14.388 -1.820 -0.655 1.00 52.35 H new ATOM 0 HB2 GLN A 79 -11.455 -1.200 -0.090 1.00 4.21 H new ATOM 0 HB3 GLN A 79 -12.795 -0.348 0.652 1.00 4.21 H new ATOM 0 HG2 GLN A 79 -12.341 -3.344 0.912 1.00 4.14 H new ATOM 0 HG3 GLN A 79 -11.766 -2.163 2.073 1.00 4.14 H new ATOM 0 HE21 GLN A 79 -13.275 -1.003 3.382 1.00 54.14 H new ATOM 0 HE22 GLN A 79 -14.930 -1.583 3.591 1.00 54.14 H new ATOM 1265 N ASP A 80 -14.596 0.069 -2.250 1.00 22.02 N ATOM 1266 CA ASP A 80 -14.782 1.197 -3.181 1.00 45.02 C ATOM 1267 C ASP A 80 -14.267 0.852 -4.599 1.00 23.13 C ATOM 1268 O ASP A 80 -14.102 1.725 -5.453 1.00 50.10 O ATOM 1269 CB ASP A 80 -14.088 2.459 -2.628 1.00 70.25 C ATOM 1270 CG ASP A 80 -14.430 3.717 -3.410 1.00 2.51 C ATOM 1271 OD1 ASP A 80 -15.606 4.144 -3.375 1.00 2.41 O ATOM 1272 OD2 ASP A 80 -13.532 4.287 -4.063 1.00 32.32 O ATOM 0 H ASP A 80 -15.467 -0.300 -1.869 1.00 22.02 H new ATOM 0 HA ASP A 80 -15.850 1.397 -3.268 1.00 45.02 H new ATOM 0 HB2 ASP A 80 -14.375 2.597 -1.585 1.00 70.25 H new ATOM 0 HB3 ASP A 80 -13.008 2.310 -2.645 1.00 70.25 H new ATOM 1277 N GLY A 81 -14.054 -0.438 -4.851 1.00 73.41 N ATOM 1278 CA GLY A 81 -13.505 -0.880 -6.127 1.00 55.25 C ATOM 1279 C GLY A 81 -12.011 -0.598 -6.257 1.00 34.41 C ATOM 1280 O GLY A 81 -11.522 -0.300 -7.346 1.00 2.00 O ATOM 0 H GLY A 81 -14.253 -1.190 -4.191 1.00 73.41 H new ATOM 0 HA2 GLY A 81 -13.680 -1.950 -6.241 1.00 55.25 H new ATOM 0 HA3 GLY A 81 -14.036 -0.382 -6.938 1.00 55.25 H new ATOM 1284 N VAL A 82 -11.289 -0.685 -5.141 1.00 4.43 N ATOM 1285 CA VAL A 82 -9.844 -0.422 -5.122 1.00 1.31 C ATOM 1286 C VAL A 82 -9.154 -1.161 -3.953 1.00 3.31 C ATOM 1287 O VAL A 82 -9.819 -1.689 -3.055 1.00 42.44 O ATOM 1288 CB VAL A 82 -9.570 1.109 -5.018 1.00 31.01 C ATOM 1289 CG1 VAL A 82 -10.058 1.658 -3.677 1.00 60.42 C ATOM 1290 CG2 VAL A 82 -8.091 1.436 -5.246 1.00 50.23 C ATOM 0 H VAL A 82 -11.680 -0.936 -4.233 1.00 4.43 H new ATOM 0 HA VAL A 82 -9.427 -0.797 -6.057 1.00 1.31 H new ATOM 0 HB VAL A 82 -10.134 1.600 -5.811 1.00 31.01 H new ATOM 0 HG11 VAL A 82 -9.856 2.728 -3.627 1.00 60.42 H new ATOM 0 HG12 VAL A 82 -11.130 1.486 -3.582 1.00 60.42 H new ATOM 0 HG13 VAL A 82 -9.536 1.152 -2.865 1.00 60.42 H new ATOM 0 HG21 VAL A 82 -7.940 2.512 -5.166 1.00 50.23 H new ATOM 0 HG22 VAL A 82 -7.486 0.928 -4.495 1.00 50.23 H new ATOM 0 HG23 VAL A 82 -7.793 1.101 -6.240 1.00 50.23 H new ATOM 1300 N ILE A 83 -7.824 -1.221 -3.988 1.00 63.11 N ATOM 1301 CA ILE A 83 -7.029 -1.810 -2.900 1.00 31.05 C ATOM 1302 C ILE A 83 -6.510 -0.708 -1.955 1.00 32.13 C ATOM 1303 O ILE A 83 -6.182 0.389 -2.408 1.00 12.40 O ATOM 1304 CB ILE A 83 -5.820 -2.597 -3.468 1.00 21.53 C ATOM 1305 CG1 ILE A 83 -6.284 -3.566 -4.567 1.00 53.12 C ATOM 1306 CG2 ILE A 83 -5.096 -3.357 -2.352 1.00 11.22 C ATOM 1307 CD1 ILE A 83 -5.150 -4.244 -5.309 1.00 43.43 C ATOM 0 H ILE A 83 -7.265 -0.866 -4.764 1.00 63.11 H new ATOM 0 HA ILE A 83 -7.675 -2.492 -2.347 1.00 31.05 H new ATOM 0 HB ILE A 83 -5.119 -1.885 -3.905 1.00 21.53 H new ATOM 0 HG12 ILE A 83 -6.920 -4.330 -4.119 1.00 53.12 H new ATOM 0 HG13 ILE A 83 -6.898 -3.020 -5.283 1.00 53.12 H new ATOM 0 HG21 ILE A 83 -4.251 -3.902 -2.772 1.00 11.22 H new ATOM 0 HG22 ILE A 83 -4.736 -2.650 -1.605 1.00 11.22 H new ATOM 0 HG23 ILE A 83 -5.785 -4.060 -1.884 1.00 11.22 H new ATOM 0 HD11 ILE A 83 -5.559 -4.911 -6.068 1.00 43.43 H new ATOM 0 HD12 ILE A 83 -4.526 -3.489 -5.788 1.00 43.43 H new ATOM 0 HD13 ILE A 83 -4.548 -4.820 -4.606 1.00 43.43 H new ATOM 1319 N ASN A 84 -6.429 -0.995 -0.651 1.00 52.21 N ATOM 1320 CA ASN A 84 -5.983 0.005 0.338 1.00 23.53 C ATOM 1321 C ASN A 84 -4.972 -0.603 1.335 1.00 32.34 C ATOM 1322 O ASN A 84 -5.111 -1.758 1.744 1.00 33.11 O ATOM 1323 CB ASN A 84 -7.189 0.572 1.101 1.00 32.30 C ATOM 1324 CG ASN A 84 -8.283 1.084 0.177 1.00 32.23 C ATOM 1325 OD1 ASN A 84 -8.308 2.252 -0.194 1.00 33.02 O ATOM 1326 ND2 ASN A 84 -9.196 0.213 -0.209 1.00 11.43 N ATOM 0 H ASN A 84 -6.664 -1.904 -0.253 1.00 52.21 H new ATOM 0 HA ASN A 84 -5.486 0.810 -0.203 1.00 23.53 H new ATOM 0 HB2 ASN A 84 -7.600 -0.202 1.749 1.00 32.30 H new ATOM 0 HB3 ASN A 84 -6.855 1.384 1.747 1.00 32.30 H new ATOM 0 HD21 ASN A 84 -9.948 0.505 -0.833 1.00 11.43 H new ATOM 0 HD22 ASN A 84 -9.149 -0.753 0.116 1.00 11.43 H new ATOM 1333 N GLY A 85 -3.962 0.177 1.733 1.00 72.14 N ATOM 1334 CA GLY A 85 -2.943 -0.321 2.662 1.00 40.31 C ATOM 1335 C GLY A 85 -2.123 0.788 3.326 1.00 13.24 C ATOM 1336 O GLY A 85 -2.277 1.960 2.995 1.00 33.40 O ATOM 0 H GLY A 85 -3.829 1.142 1.432 1.00 72.14 H new ATOM 0 HA2 GLY A 85 -3.429 -0.915 3.436 1.00 40.31 H new ATOM 0 HA3 GLY A 85 -2.269 -0.988 2.125 1.00 40.31 H new ATOM 1340 N VAL A 86 -1.232 0.412 4.252 1.00 14.51 N ATOM 1341 CA VAL A 86 -0.422 1.389 5.007 1.00 12.14 C ATOM 1342 C VAL A 86 0.997 1.535 4.428 1.00 13.33 C ATOM 1343 O VAL A 86 1.594 0.561 3.972 1.00 65.31 O ATOM 1344 CB VAL A 86 -0.279 0.978 6.497 1.00 23.01 C ATOM 1345 CG1 VAL A 86 0.233 2.145 7.340 1.00 61.41 C ATOM 1346 CG2 VAL A 86 -1.591 0.432 7.046 1.00 51.42 C ATOM 0 H VAL A 86 -1.050 -0.561 4.500 1.00 14.51 H new ATOM 0 HA VAL A 86 -0.953 2.337 4.924 1.00 12.14 H new ATOM 0 HB VAL A 86 0.459 0.178 6.554 1.00 23.01 H new ATOM 0 HG11 VAL A 86 0.324 1.830 8.380 1.00 61.41 H new ATOM 0 HG12 VAL A 86 1.208 2.461 6.970 1.00 61.41 H new ATOM 0 HG13 VAL A 86 -0.468 2.977 7.273 1.00 61.41 H new ATOM 0 HG21 VAL A 86 -1.460 0.153 8.091 1.00 51.42 H new ATOM 0 HG22 VAL A 86 -2.364 1.197 6.969 1.00 51.42 H new ATOM 0 HG23 VAL A 86 -1.889 -0.445 6.471 1.00 51.42 H new ATOM 1356 N LEU A 87 1.535 2.754 4.471 1.00 4.21 N ATOM 1357 CA LEU A 87 2.918 3.011 4.050 1.00 22.10 C ATOM 1358 C LEU A 87 3.913 2.612 5.154 1.00 61.10 C ATOM 1359 O LEU A 87 4.028 3.290 6.174 1.00 40.52 O ATOM 1360 CB LEU A 87 3.097 4.498 3.696 1.00 43.25 C ATOM 1361 CG LEU A 87 4.487 4.895 3.159 1.00 31.51 C ATOM 1362 CD1 LEU A 87 4.821 4.117 1.888 1.00 11.11 C ATOM 1363 CD2 LEU A 87 4.553 6.403 2.907 1.00 32.10 C ATOM 0 H LEU A 87 1.035 3.583 4.793 1.00 4.21 H new ATOM 0 HA LEU A 87 3.122 2.405 3.168 1.00 22.10 H new ATOM 0 HB2 LEU A 87 2.349 4.768 2.950 1.00 43.25 H new ATOM 0 HB3 LEU A 87 2.888 5.092 4.586 1.00 43.25 H new ATOM 0 HG LEU A 87 5.231 4.641 3.914 1.00 31.51 H new ATOM 0 HD11 LEU A 87 5.806 4.414 1.528 1.00 11.11 H new ATOM 0 HD12 LEU A 87 4.821 3.049 2.105 1.00 11.11 H new ATOM 0 HD13 LEU A 87 4.075 4.332 1.123 1.00 11.11 H new ATOM 0 HD21 LEU A 87 5.541 6.666 2.528 1.00 32.10 H new ATOM 0 HD22 LEU A 87 3.797 6.683 2.173 1.00 32.10 H new ATOM 0 HD23 LEU A 87 4.368 6.936 3.840 1.00 32.10 H new ATOM 1375 N ILE A 88 4.623 1.504 4.952 1.00 22.31 N ATOM 1376 CA ILE A 88 5.614 1.031 5.927 1.00 44.41 C ATOM 1377 C ILE A 88 6.978 0.798 5.262 1.00 14.20 C ATOM 1378 O ILE A 88 7.147 1.013 4.060 1.00 25.12 O ATOM 1379 CB ILE A 88 5.154 -0.283 6.619 1.00 5.20 C ATOM 1380 CG1 ILE A 88 5.113 -1.435 5.599 1.00 64.01 C ATOM 1381 CG2 ILE A 88 3.790 -0.100 7.293 1.00 11.02 C ATOM 1382 CD1 ILE A 88 4.584 -2.739 6.158 1.00 65.22 C ATOM 0 H ILE A 88 4.534 0.915 4.124 1.00 22.31 H new ATOM 0 HA ILE A 88 5.709 1.812 6.681 1.00 44.41 H new ATOM 0 HB ILE A 88 5.876 -0.534 7.396 1.00 5.20 H new ATOM 0 HG12 ILE A 88 4.492 -1.136 4.755 1.00 64.01 H new ATOM 0 HG13 ILE A 88 6.119 -1.600 5.213 1.00 64.01 H new ATOM 0 HG21 ILE A 88 3.491 -1.034 7.769 1.00 11.02 H new ATOM 0 HG22 ILE A 88 3.858 0.686 8.045 1.00 11.02 H new ATOM 0 HG23 ILE A 88 3.049 0.178 6.544 1.00 11.02 H new ATOM 0 HD11 ILE A 88 4.588 -3.498 5.376 1.00 65.22 H new ATOM 0 HD12 ILE A 88 5.217 -3.065 6.983 1.00 65.22 H new ATOM 0 HD13 ILE A 88 3.565 -2.594 6.518 1.00 65.22 H new ATOM 1394 N ARG A 89 7.952 0.361 6.050 1.00 50.42 N ATOM 1395 CA ARG A 89 9.303 0.101 5.540 1.00 73.10 C ATOM 1396 C ARG A 89 9.806 -1.289 5.963 1.00 31.21 C ATOM 1397 O ARG A 89 10.469 -1.436 6.989 1.00 41.24 O ATOM 1398 CB ARG A 89 10.281 1.184 6.028 1.00 41.33 C ATOM 1399 CG ARG A 89 9.823 2.613 5.739 1.00 32.33 C ATOM 1400 CD ARG A 89 9.742 2.901 4.241 1.00 10.43 C ATOM 1401 NE ARG A 89 9.162 4.216 3.966 1.00 54.51 N ATOM 1402 CZ ARG A 89 9.483 4.972 2.951 1.00 51.20 C ATOM 1403 NH1 ARG A 89 10.399 4.606 2.114 1.00 51.12 N ATOM 1404 NH2 ARG A 89 8.883 6.104 2.779 1.00 31.20 N ATOM 0 H ARG A 89 7.837 0.177 7.047 1.00 50.42 H new ATOM 0 HA ARG A 89 9.254 0.128 4.451 1.00 73.10 H new ATOM 0 HB2 ARG A 89 10.426 1.070 7.102 1.00 41.33 H new ATOM 0 HB3 ARG A 89 11.250 1.022 5.557 1.00 41.33 H new ATOM 0 HG2 ARG A 89 8.846 2.778 6.192 1.00 32.33 H new ATOM 0 HG3 ARG A 89 10.514 3.315 6.206 1.00 32.33 H new ATOM 0 HD2 ARG A 89 10.740 2.847 3.807 1.00 10.43 H new ATOM 0 HD3 ARG A 89 9.142 2.131 3.756 1.00 10.43 H new ATOM 0 HE ARG A 89 8.456 4.567 4.614 1.00 54.51 H new ATOM 0 HH11 ARG A 89 10.881 3.716 2.242 1.00 51.12 H new ATOM 0 HH12 ARG A 89 10.639 5.207 1.326 1.00 51.12 H new ATOM 0 HH21 ARG A 89 8.162 6.404 3.435 1.00 31.20 H new ATOM 0 HH22 ARG A 89 9.131 6.697 1.987 1.00 31.20 H new ATOM 1418 N GLU A 90 9.459 -2.309 5.180 1.00 0.12 N ATOM 1419 CA GLU A 90 9.955 -3.674 5.413 1.00 34.41 C ATOM 1420 C GLU A 90 11.333 -3.859 4.764 1.00 45.45 C ATOM 1421 O GLU A 90 12.213 -4.541 5.296 1.00 72.05 O ATOM 1422 CB GLU A 90 8.964 -4.704 4.847 1.00 72.14 C ATOM 1423 CG GLU A 90 7.562 -4.617 5.449 1.00 2.22 C ATOM 1424 CD GLU A 90 7.507 -5.025 6.917 1.00 54.44 C ATOM 1425 OE1 GLU A 90 7.916 -4.223 7.783 1.00 32.25 O ATOM 1426 OE2 GLU A 90 7.036 -6.143 7.211 1.00 12.05 O ATOM 0 H GLU A 90 8.836 -2.221 4.377 1.00 0.12 H new ATOM 0 HA GLU A 90 10.050 -3.830 6.488 1.00 34.41 H new ATOM 0 HB2 GLU A 90 8.893 -4.569 3.768 1.00 72.14 H new ATOM 0 HB3 GLU A 90 9.360 -5.705 5.018 1.00 72.14 H new ATOM 0 HG2 GLU A 90 7.195 -3.596 5.349 1.00 2.22 H new ATOM 0 HG3 GLU A 90 6.889 -5.255 4.877 1.00 2.22 H new ATOM 1433 N LEU A 91 11.492 -3.241 3.602 1.00 12.42 N ATOM 1434 CA LEU A 91 12.751 -3.227 2.861 1.00 35.02 C ATOM 1435 C LEU A 91 13.160 -1.771 2.581 1.00 13.11 C ATOM 1436 O LEU A 91 12.302 -0.892 2.464 1.00 52.12 O ATOM 1437 CB LEU A 91 12.587 -3.983 1.528 1.00 5.22 C ATOM 1438 CG LEU A 91 11.973 -5.394 1.628 1.00 3.50 C ATOM 1439 CD1 LEU A 91 11.761 -5.993 0.241 1.00 22.42 C ATOM 1440 CD2 LEU A 91 12.844 -6.312 2.485 1.00 1.44 C ATOM 0 H LEU A 91 10.742 -2.728 3.139 1.00 12.42 H new ATOM 0 HA LEU A 91 13.523 -3.718 3.454 1.00 35.02 H new ATOM 0 HB2 LEU A 91 11.964 -3.382 0.866 1.00 5.22 H new ATOM 0 HB3 LEU A 91 13.566 -4.066 1.056 1.00 5.22 H new ATOM 0 HG LEU A 91 11.001 -5.302 2.113 1.00 3.50 H new ATOM 0 HD11 LEU A 91 11.327 -6.988 0.337 1.00 22.42 H new ATOM 0 HD12 LEU A 91 11.086 -5.356 -0.331 1.00 22.42 H new ATOM 0 HD13 LEU A 91 12.718 -6.063 -0.275 1.00 22.42 H new ATOM 0 HD21 LEU A 91 12.388 -7.300 2.539 1.00 1.44 H new ATOM 0 HD22 LEU A 91 13.835 -6.394 2.039 1.00 1.44 H new ATOM 0 HD23 LEU A 91 12.931 -5.897 3.489 1.00 1.44 H new ATOM 1452 N GLU A 92 14.457 -1.506 2.468 1.00 54.53 N ATOM 1453 CA GLU A 92 14.929 -0.154 2.131 1.00 20.21 C ATOM 1454 C GLU A 92 14.782 0.090 0.615 1.00 31.45 C ATOM 1455 O GLU A 92 15.755 0.346 -0.092 1.00 42.43 O ATOM 1456 CB GLU A 92 16.386 0.030 2.590 1.00 32.11 C ATOM 1457 CG GLU A 92 16.887 1.473 2.522 1.00 22.54 C ATOM 1458 CD GLU A 92 18.293 1.630 3.075 1.00 10.35 C ATOM 1459 OE1 GLU A 92 18.441 1.802 4.306 1.00 12.43 O ATOM 1460 OE2 GLU A 92 19.260 1.576 2.286 1.00 42.53 O ATOM 0 H GLU A 92 15.197 -2.195 2.601 1.00 54.53 H new ATOM 0 HA GLU A 92 14.319 0.583 2.654 1.00 20.21 H new ATOM 0 HB2 GLU A 92 16.480 -0.327 3.615 1.00 32.11 H new ATOM 0 HB3 GLU A 92 17.031 -0.596 1.974 1.00 32.11 H new ATOM 0 HG2 GLU A 92 16.868 1.812 1.486 1.00 22.54 H new ATOM 0 HG3 GLU A 92 16.207 2.116 3.080 1.00 22.54 H new ATOM 1467 N HIS A 93 13.537 -0.025 0.129 1.00 3.00 N ATOM 1468 CA HIS A 93 13.229 -0.006 -1.313 1.00 74.11 C ATOM 1469 C HIS A 93 13.965 -1.128 -2.075 1.00 3.14 C ATOM 1470 O HIS A 93 13.924 -1.187 -3.308 1.00 33.04 O ATOM 1471 CB HIS A 93 13.553 1.360 -1.939 1.00 33.30 C ATOM 1472 CG HIS A 93 12.628 2.460 -1.519 1.00 53.32 C ATOM 1473 ND1 HIS A 93 13.068 3.649 -0.984 1.00 0.02 N ATOM 1474 CD2 HIS A 93 11.280 2.562 -1.591 1.00 40.14 C ATOM 1475 CE1 HIS A 93 12.037 4.432 -0.744 1.00 23.23 C ATOM 1476 NE2 HIS A 93 10.938 3.801 -1.103 1.00 64.55 N ATOM 0 H HIS A 93 12.714 -0.134 0.722 1.00 3.00 H new ATOM 0 HA HIS A 93 12.158 -0.184 -1.405 1.00 74.11 H new ATOM 0 HB2 HIS A 93 14.573 1.637 -1.673 1.00 33.30 H new ATOM 0 HB3 HIS A 93 13.520 1.267 -3.025 1.00 33.30 H new ATOM 0 HD2 HIS A 93 10.600 1.810 -1.963 1.00 40.14 H new ATOM 0 HE1 HIS A 93 12.085 5.425 -0.323 1.00 23.23 H new ATOM 0 HE2 HIS A 93 9.990 4.170 -1.031 1.00 64.55 H new ATOM 1485 N HIS A 94 14.617 -2.029 -1.339 1.00 60.44 N ATOM 1486 CA HIS A 94 15.366 -3.128 -1.950 1.00 4.12 C ATOM 1487 C HIS A 94 14.420 -4.260 -2.381 1.00 35.41 C ATOM 1488 O HIS A 94 14.424 -5.357 -1.813 1.00 15.22 O ATOM 1489 CB HIS A 94 16.443 -3.647 -0.990 1.00 24.12 C ATOM 1490 CG HIS A 94 17.342 -4.677 -1.606 1.00 73.54 C ATOM 1491 ND1 HIS A 94 17.142 -6.032 -1.460 1.00 12.35 N ATOM 1492 CD2 HIS A 94 18.444 -4.546 -2.384 1.00 60.11 C ATOM 1493 CE1 HIS A 94 18.076 -6.687 -2.119 1.00 11.42 C ATOM 1494 NE2 HIS A 94 18.877 -5.811 -2.688 1.00 71.44 N ATOM 0 H HIS A 94 14.642 -2.019 -0.319 1.00 60.44 H new ATOM 0 HA HIS A 94 15.863 -2.749 -2.843 1.00 4.12 H new ATOM 0 HB2 HIS A 94 17.047 -2.808 -0.645 1.00 24.12 H new ATOM 0 HB3 HIS A 94 15.961 -4.075 -0.111 1.00 24.12 H new ATOM 0 HD2 HIS A 94 18.896 -3.619 -2.704 1.00 60.11 H new ATOM 0 HE1 HIS A 94 18.169 -7.761 -2.182 1.00 11.42 H new ATOM 0 HE2 HIS A 94 19.689 -6.037 -3.263 1.00 71.44 H new ATOM 1503 N HIS A 95 13.606 -3.965 -3.385 1.00 34.30 N ATOM 1504 CA HIS A 95 12.627 -4.915 -3.918 1.00 43.25 C ATOM 1505 C HIS A 95 13.287 -6.239 -4.341 1.00 31.13 C ATOM 1506 O HIS A 95 14.229 -6.249 -5.132 1.00 2.04 O ATOM 1507 CB HIS A 95 11.883 -4.279 -5.102 1.00 10.24 C ATOM 1508 CG HIS A 95 12.782 -3.636 -6.122 1.00 34.43 C ATOM 1509 ND1 HIS A 95 13.206 -2.325 -6.034 1.00 43.12 N ATOM 1510 CD2 HIS A 95 13.328 -4.124 -7.262 1.00 31.51 C ATOM 1511 CE1 HIS A 95 13.966 -2.040 -7.070 1.00 30.10 C ATOM 1512 NE2 HIS A 95 14.060 -3.110 -7.830 1.00 65.44 N ATOM 0 H HIS A 95 13.602 -3.061 -3.857 1.00 34.30 H new ATOM 0 HA HIS A 95 11.915 -5.150 -3.127 1.00 43.25 H new ATOM 0 HB2 HIS A 95 11.284 -5.045 -5.594 1.00 10.24 H new ATOM 0 HB3 HIS A 95 11.190 -3.529 -4.721 1.00 10.24 H new ATOM 0 HD1 HIS A 95 12.967 -1.678 -5.283 1.00 43.12 H new ATOM 0 HD2 HIS A 95 13.210 -5.124 -7.652 1.00 31.51 H new ATOM 0 HE1 HIS A 95 14.435 -1.086 -7.264 1.00 30.10 H new ATOM 1521 N HIS A 96 12.785 -7.351 -3.804 1.00 73.42 N ATOM 1522 CA HIS A 96 13.313 -8.677 -4.142 1.00 21.51 C ATOM 1523 C HIS A 96 13.074 -9.002 -5.626 1.00 41.04 C ATOM 1524 O HIS A 96 12.007 -8.711 -6.180 1.00 53.04 O ATOM 1525 CB HIS A 96 12.682 -9.747 -3.241 1.00 41.33 C ATOM 1526 CG HIS A 96 12.997 -9.574 -1.782 1.00 71.52 C ATOM 1527 ND1 HIS A 96 12.456 -10.371 -0.796 1.00 44.43 N ATOM 1528 CD2 HIS A 96 13.800 -8.687 -1.138 1.00 2.22 C ATOM 1529 CE1 HIS A 96 12.904 -9.981 0.381 1.00 33.33 C ATOM 1530 NE2 HIS A 96 13.719 -8.966 0.202 1.00 4.10 N ATOM 0 H HIS A 96 12.015 -7.362 -3.135 1.00 73.42 H new ATOM 0 HA HIS A 96 14.389 -8.672 -3.971 1.00 21.51 H new ATOM 0 HB2 HIS A 96 11.600 -9.729 -3.374 1.00 41.33 H new ATOM 0 HB3 HIS A 96 13.027 -10.730 -3.564 1.00 41.33 H new ATOM 0 HD2 HIS A 96 14.391 -7.908 -1.596 1.00 2.22 H new ATOM 0 HE1 HIS A 96 12.645 -10.422 1.332 1.00 33.33 H new ATOM 0 HE2 HIS A 96 14.212 -8.466 0.941 1.00 4.10 H new ATOM 1539 N HIS A 97 14.069 -9.608 -6.263 1.00 2.13 N ATOM 1540 CA HIS A 97 14.039 -9.846 -7.708 1.00 61.10 C ATOM 1541 C HIS A 97 14.524 -11.259 -8.070 1.00 22.30 C ATOM 1542 O HIS A 97 15.551 -11.723 -7.572 1.00 34.12 O ATOM 1543 CB HIS A 97 14.901 -8.793 -8.421 1.00 72.34 C ATOM 1544 CG HIS A 97 15.067 -9.046 -9.887 1.00 45.52 C ATOM 1545 ND1 HIS A 97 16.226 -9.546 -10.430 1.00 45.54 N ATOM 1546 CD2 HIS A 97 14.213 -8.877 -10.922 1.00 11.20 C ATOM 1547 CE1 HIS A 97 16.081 -9.671 -11.730 1.00 25.25 C ATOM 1548 NE2 HIS A 97 14.870 -9.277 -12.058 1.00 0.32 N ATOM 0 H HIS A 97 14.913 -9.947 -5.801 1.00 2.13 H new ATOM 0 HA HIS A 97 13.004 -9.764 -8.039 1.00 61.10 H new ATOM 0 HB2 HIS A 97 14.451 -7.811 -8.279 1.00 72.34 H new ATOM 0 HB3 HIS A 97 15.885 -8.763 -7.952 1.00 72.34 H new ATOM 0 HD2 HIS A 97 13.203 -8.498 -10.865 1.00 11.20 H new ATOM 0 HE1 HIS A 97 16.832 -10.037 -12.415 1.00 25.25 H new ATOM 0 HE2 HIS A 97 14.483 -9.270 -13.002 1.00 0.32 H new ATOM 1557 N HIS A 98 13.773 -11.923 -8.949 1.00 65.30 N ATOM 1558 CA HIS A 98 14.142 -13.250 -9.463 1.00 4.22 C ATOM 1559 C HIS A 98 15.347 -13.172 -10.427 1.00 2.02 C ATOM 1560 O HIS A 98 16.469 -13.541 -10.018 1.00 37.13 O ATOM 1561 CB HIS A 98 12.934 -13.890 -10.170 1.00 21.02 C ATOM 1562 CG HIS A 98 13.237 -15.209 -10.820 1.00 3.43 C ATOM 1563 ND1 HIS A 98 13.672 -15.319 -12.124 1.00 4.31 N ATOM 1564 CD2 HIS A 98 13.171 -16.476 -10.342 1.00 60.24 C ATOM 1565 CE1 HIS A 98 13.859 -16.587 -12.422 1.00 63.32 C ATOM 1566 NE2 HIS A 98 13.564 -17.309 -11.360 1.00 70.43 N ATOM 1567 OXT HIS A 98 15.164 -12.734 -11.588 1.00 37.13 O ATOM 0 H HIS A 98 12.896 -11.562 -9.325 1.00 65.30 H new ATOM 0 HA HIS A 98 14.437 -13.870 -8.617 1.00 4.22 H new ATOM 0 HB2 HIS A 98 12.133 -14.030 -9.444 1.00 21.02 H new ATOM 0 HB3 HIS A 98 12.561 -13.200 -10.927 1.00 21.02 H new ATOM 0 HD2 HIS A 98 12.867 -16.773 -9.349 1.00 60.24 H new ATOM 0 HE1 HIS A 98 14.196 -16.970 -13.374 1.00 63.32 H new ATOM 0 HE2 HIS A 98 13.619 -18.326 -11.303 1.00 70.43 H new TER 1576 HIS A 98