USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.837! C(o=-0.71!,f=-9!) USER MOD Set 1.2: A 47 SER OG : rot -51:sc= 0.127 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0596) USER MOD Single : A 16 TYR OH : rot 158:sc= -1.43 USER MOD Single : A 19 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.072) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.0408 (180deg=-0.318) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 177:sc= 0 (180deg=-0.0179) USER MOD Single : A 49 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.1!) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.0217 (180deg=0.0175) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0719 K(o=-0.072,f=-1.1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.283) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.53) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.496 -13.280 8.087 1.00 63.14 N ATOM 2 CA GLY A 1 12.047 -13.309 8.166 1.00 24.13 C ATOM 3 C GLY A 1 11.549 -14.029 9.404 1.00 52.13 C ATOM 4 O GLY A 1 11.949 -15.161 9.676 1.00 45.03 O ATOM 0 H1 GLY A 1 13.787 -12.777 7.224 1.00 63.14 H new ATOM 0 H2 GLY A 1 13.879 -12.789 8.920 1.00 63.14 H new ATOM 0 H3 GLY A 1 13.862 -14.253 8.061 1.00 63.14 H new ATOM 0 HA2 GLY A 1 11.665 -12.288 8.165 1.00 24.13 H new ATOM 0 HA3 GLY A 1 11.647 -13.800 7.278 1.00 24.13 H new ATOM 8 N SER A 2 10.675 -13.369 10.158 1.00 5.14 N ATOM 9 CA SER A 2 10.127 -13.951 11.378 1.00 40.11 C ATOM 10 C SER A 2 8.603 -13.860 11.385 1.00 12.43 C ATOM 11 O SER A 2 7.909 -14.873 11.488 1.00 50.40 O ATOM 12 CB SER A 2 10.697 -13.242 12.607 1.00 53.31 C ATOM 13 OG SER A 2 10.542 -11.837 12.504 1.00 3.10 O ATOM 0 H SER A 2 10.332 -12.432 9.946 1.00 5.14 H new ATOM 0 HA SER A 2 10.412 -15.003 11.410 1.00 40.11 H new ATOM 0 HB2 SER A 2 10.193 -13.602 13.504 1.00 53.31 H new ATOM 0 HB3 SER A 2 11.754 -13.487 12.715 1.00 53.31 H new ATOM 0 HG SER A 2 10.913 -11.408 13.303 1.00 3.10 H new ATOM 19 N THR A 3 8.089 -12.640 11.276 1.00 55.11 N ATOM 20 CA THR A 3 6.650 -12.414 11.271 1.00 25.35 C ATOM 21 C THR A 3 6.022 -12.841 12.593 1.00 33.13 C ATOM 22 O THR A 3 6.592 -13.645 13.331 1.00 71.52 O ATOM 23 CB THR A 3 5.965 -13.179 10.121 1.00 74.42 C ATOM 24 OG1 THR A 3 6.897 -13.397 9.056 1.00 70.51 O ATOM 25 CG2 THR A 3 4.763 -12.407 9.600 1.00 64.30 C ATOM 0 H THR A 3 8.649 -11.792 11.190 1.00 55.11 H new ATOM 0 HA THR A 3 6.499 -11.344 11.128 1.00 25.35 H new ATOM 0 HB THR A 3 5.621 -14.139 10.505 1.00 74.42 H new ATOM 0 HG1 THR A 3 6.456 -13.885 8.330 1.00 70.51 H new ATOM 0 HG21 THR A 3 4.295 -12.966 8.789 1.00 64.30 H new ATOM 0 HG22 THR A 3 4.043 -12.267 10.406 1.00 64.30 H new ATOM 0 HG23 THR A 3 5.088 -11.434 9.230 1.00 64.30 H new ATOM 33 N MET A 4 4.844 -12.298 12.887 1.00 53.45 N ATOM 34 CA MET A 4 4.139 -12.625 14.121 1.00 50.43 C ATOM 35 C MET A 4 2.754 -11.984 14.141 1.00 11.53 C ATOM 36 O MET A 4 1.762 -12.641 14.454 1.00 71.24 O ATOM 37 CB MET A 4 4.947 -12.159 15.334 1.00 0.53 C ATOM 38 CG MET A 4 5.447 -13.300 16.205 1.00 61.14 C ATOM 39 SD MET A 4 6.334 -12.723 17.665 1.00 51.04 S ATOM 40 CE MET A 4 7.727 -13.849 17.683 1.00 43.04 C ATOM 0 H MET A 4 4.359 -11.630 12.288 1.00 53.45 H new ATOM 0 HA MET A 4 4.020 -13.708 14.167 1.00 50.43 H new ATOM 0 HB2 MET A 4 5.800 -11.575 14.989 1.00 0.53 H new ATOM 0 HB3 MET A 4 4.329 -11.495 15.939 1.00 0.53 H new ATOM 0 HG2 MET A 4 4.600 -13.911 16.517 1.00 61.14 H new ATOM 0 HG3 MET A 4 6.103 -13.941 15.616 1.00 61.14 H new ATOM 0 HE1 MET A 4 8.370 -13.618 18.532 1.00 43.04 H new ATOM 0 HE2 MET A 4 7.365 -14.874 17.770 1.00 43.04 H new ATOM 0 HE3 MET A 4 8.294 -13.741 16.758 1.00 43.04 H new ATOM 50 N ALA A 5 2.697 -10.700 13.807 1.00 41.34 N ATOM 51 CA ALA A 5 1.434 -9.972 13.785 1.00 51.11 C ATOM 52 C ALA A 5 0.758 -10.087 12.422 1.00 35.04 C ATOM 53 O ALA A 5 -0.257 -10.768 12.280 1.00 20.34 O ATOM 54 CB ALA A 5 1.661 -8.510 14.141 1.00 14.45 C ATOM 0 H ALA A 5 3.510 -10.142 13.548 1.00 41.34 H new ATOM 0 HA ALA A 5 0.773 -10.418 14.529 1.00 51.11 H new ATOM 0 HB1 ALA A 5 0.710 -7.979 14.121 1.00 14.45 H new ATOM 0 HB2 ALA A 5 2.094 -8.442 15.139 1.00 14.45 H new ATOM 0 HB3 ALA A 5 2.343 -8.061 13.419 1.00 14.45 H new ATOM 60 N GLU A 6 1.326 -9.416 11.426 1.00 53.01 N ATOM 61 CA GLU A 6 0.776 -9.443 10.076 1.00 34.35 C ATOM 62 C GLU A 6 1.710 -8.744 9.093 1.00 4.41 C ATOM 63 O GLU A 6 2.189 -7.641 9.353 1.00 11.33 O ATOM 64 CB GLU A 6 -0.601 -8.775 10.049 1.00 34.22 C ATOM 65 CG GLU A 6 -1.236 -8.744 8.669 1.00 31.20 C ATOM 66 CD GLU A 6 -2.734 -8.520 8.722 1.00 25.40 C ATOM 67 OE1 GLU A 6 -3.231 -7.658 7.967 1.00 74.54 O ATOM 68 OE2 GLU A 6 -3.410 -9.205 9.518 1.00 22.53 O ATOM 0 H GLU A 6 2.166 -8.847 11.528 1.00 53.01 H new ATOM 0 HA GLU A 6 0.673 -10.485 9.775 1.00 34.35 H new ATOM 0 HB2 GLU A 6 -1.265 -9.303 10.733 1.00 34.22 H new ATOM 0 HB3 GLU A 6 -0.508 -7.754 10.420 1.00 34.22 H new ATOM 0 HG2 GLU A 6 -0.775 -7.952 8.078 1.00 31.20 H new ATOM 0 HG3 GLU A 6 -1.031 -9.684 8.157 1.00 31.20 H new ATOM 76 N GLU A 7 1.966 -9.397 7.963 1.00 11.25 N ATOM 77 CA GLU A 7 2.845 -8.839 6.942 1.00 4.31 C ATOM 78 C GLU A 7 2.191 -8.906 5.566 1.00 71.24 C ATOM 79 O GLU A 7 2.017 -9.986 4.999 1.00 72.05 O ATOM 80 CB GLU A 7 4.180 -9.590 6.921 1.00 74.52 C ATOM 81 CG GLU A 7 5.391 -8.674 6.872 1.00 3.30 C ATOM 82 CD GLU A 7 6.684 -9.430 6.637 1.00 61.31 C ATOM 83 OE1 GLU A 7 7.665 -8.801 6.188 1.00 61.14 O ATOM 84 OE2 GLU A 7 6.716 -10.650 6.901 1.00 63.52 O ATOM 0 H GLU A 7 1.578 -10.311 7.732 1.00 11.25 H new ATOM 0 HA GLU A 7 3.028 -7.793 7.188 1.00 4.31 H new ATOM 0 HB2 GLU A 7 4.247 -10.220 7.808 1.00 74.52 H new ATOM 0 HB3 GLU A 7 4.201 -10.253 6.056 1.00 74.52 H new ATOM 0 HG2 GLU A 7 5.254 -7.939 6.078 1.00 3.30 H new ATOM 0 HG3 GLU A 7 5.462 -8.122 7.809 1.00 3.30 H new ATOM 92 N VAL A 8 1.828 -7.743 5.032 1.00 13.24 N ATOM 93 CA VAL A 8 1.193 -7.668 3.723 1.00 61.52 C ATOM 94 C VAL A 8 1.860 -6.611 2.849 1.00 61.32 C ATOM 95 O VAL A 8 2.307 -5.575 3.340 1.00 40.12 O ATOM 96 CB VAL A 8 -0.309 -7.344 3.844 1.00 3.32 C ATOM 97 CG1 VAL A 8 -0.866 -6.886 2.505 1.00 33.12 C ATOM 98 CG2 VAL A 8 -1.072 -8.553 4.364 1.00 32.14 C ATOM 0 H VAL A 8 1.964 -6.840 5.487 1.00 13.24 H new ATOM 0 HA VAL A 8 1.309 -8.647 3.259 1.00 61.52 H new ATOM 0 HB VAL A 8 -0.432 -6.530 4.558 1.00 3.32 H new ATOM 0 HG11 VAL A 8 -1.928 -6.662 2.610 1.00 33.12 H new ATOM 0 HG12 VAL A 8 -0.337 -5.991 2.178 1.00 33.12 H new ATOM 0 HG13 VAL A 8 -0.733 -7.676 1.766 1.00 33.12 H new ATOM 0 HG21 VAL A 8 -2.131 -8.308 4.444 1.00 32.14 H new ATOM 0 HG22 VAL A 8 -0.944 -9.388 3.675 1.00 32.14 H new ATOM 0 HG23 VAL A 8 -0.689 -8.830 5.346 1.00 32.14 H new ATOM 108 N VAL A 9 1.922 -6.880 1.548 1.00 70.24 N ATOM 109 CA VAL A 9 2.532 -5.952 0.604 1.00 42.23 C ATOM 110 C VAL A 9 1.593 -5.655 -0.560 1.00 2.24 C ATOM 111 O VAL A 9 0.904 -6.545 -1.058 1.00 43.01 O ATOM 112 CB VAL A 9 3.859 -6.505 0.052 1.00 65.42 C ATOM 113 CG1 VAL A 9 5.042 -5.830 0.726 1.00 55.40 C ATOM 114 CG2 VAL A 9 3.923 -8.014 0.231 1.00 25.41 C ATOM 0 H VAL A 9 1.557 -7.733 1.125 1.00 70.24 H new ATOM 0 HA VAL A 9 2.731 -5.030 1.150 1.00 42.23 H new ATOM 0 HB VAL A 9 3.907 -6.286 -1.015 1.00 65.42 H new ATOM 0 HG11 VAL A 9 5.970 -6.234 0.322 1.00 55.40 H new ATOM 0 HG12 VAL A 9 5.003 -4.757 0.540 1.00 55.40 H new ATOM 0 HG13 VAL A 9 5.003 -6.014 1.800 1.00 55.40 H new ATOM 0 HG21 VAL A 9 4.867 -8.388 -0.165 1.00 25.41 H new ATOM 0 HG22 VAL A 9 3.852 -8.258 1.291 1.00 25.41 H new ATOM 0 HG23 VAL A 9 3.096 -8.479 -0.305 1.00 25.41 H new ATOM 124 N VAL A 10 1.572 -4.397 -0.990 1.00 4.40 N ATOM 125 CA VAL A 10 0.720 -3.983 -2.098 1.00 61.40 C ATOM 126 C VAL A 10 1.508 -3.181 -3.129 1.00 35.34 C ATOM 127 O VAL A 10 2.487 -2.514 -2.795 1.00 14.24 O ATOM 128 CB VAL A 10 -0.469 -3.137 -1.604 1.00 61.20 C ATOM 129 CG1 VAL A 10 -1.245 -3.881 -0.529 1.00 11.24 C ATOM 130 CG2 VAL A 10 0.015 -1.790 -1.089 1.00 64.32 C ATOM 0 H VAL A 10 2.135 -3.648 -0.588 1.00 4.40 H new ATOM 0 HA VAL A 10 0.341 -4.893 -2.564 1.00 61.40 H new ATOM 0 HB VAL A 10 -1.141 -2.960 -2.444 1.00 61.20 H new ATOM 0 HG11 VAL A 10 -2.081 -3.267 -0.193 1.00 11.24 H new ATOM 0 HG12 VAL A 10 -1.624 -4.818 -0.937 1.00 11.24 H new ATOM 0 HG13 VAL A 10 -0.587 -4.092 0.314 1.00 11.24 H new ATOM 0 HG21 VAL A 10 -0.837 -1.205 -0.744 1.00 64.32 H new ATOM 0 HG22 VAL A 10 0.708 -1.944 -0.262 1.00 64.32 H new ATOM 0 HG23 VAL A 10 0.522 -1.254 -1.892 1.00 64.32 H new ATOM 140 N VAL A 11 1.072 -3.250 -4.382 1.00 3.15 N ATOM 141 CA VAL A 11 1.735 -2.529 -5.463 1.00 12.54 C ATOM 142 C VAL A 11 0.840 -1.429 -6.020 1.00 23.12 C ATOM 143 O VAL A 11 -0.372 -1.607 -6.147 1.00 61.14 O ATOM 144 CB VAL A 11 2.138 -3.479 -6.606 1.00 62.31 C ATOM 145 CG1 VAL A 11 0.919 -4.211 -7.146 1.00 22.31 C ATOM 146 CG2 VAL A 11 2.842 -2.710 -7.714 1.00 55.24 C ATOM 0 H VAL A 11 0.263 -3.798 -4.674 1.00 3.15 H new ATOM 0 HA VAL A 11 2.634 -2.081 -5.040 1.00 12.54 H new ATOM 0 HB VAL A 11 2.833 -4.221 -6.211 1.00 62.31 H new ATOM 0 HG11 VAL A 11 1.223 -4.878 -7.953 1.00 22.31 H new ATOM 0 HG12 VAL A 11 0.461 -4.794 -6.347 1.00 22.31 H new ATOM 0 HG13 VAL A 11 0.198 -3.487 -7.526 1.00 22.31 H new ATOM 0 HG21 VAL A 11 3.120 -3.397 -8.514 1.00 55.24 H new ATOM 0 HG22 VAL A 11 2.173 -1.946 -8.108 1.00 55.24 H new ATOM 0 HG23 VAL A 11 3.739 -2.236 -7.315 1.00 55.24 H new ATOM 156 N ALA A 12 1.444 -0.294 -6.353 1.00 12.21 N ATOM 157 CA ALA A 12 0.701 0.835 -6.901 1.00 13.21 C ATOM 158 C ALA A 12 0.631 0.760 -8.422 1.00 23.02 C ATOM 159 O ALA A 12 1.601 0.386 -9.081 1.00 11.30 O ATOM 160 CB ALA A 12 1.337 2.147 -6.463 1.00 24.33 C ATOM 0 H ALA A 12 2.446 -0.131 -6.253 1.00 12.21 H new ATOM 0 HA ALA A 12 -0.317 0.791 -6.515 1.00 13.21 H new ATOM 0 HB1 ALA A 12 0.773 2.982 -6.879 1.00 24.33 H new ATOM 0 HB2 ALA A 12 1.329 2.210 -5.375 1.00 24.33 H new ATOM 0 HB3 ALA A 12 2.366 2.190 -6.821 1.00 24.33 H new ATOM 166 N LYS A 13 -0.524 1.117 -8.975 1.00 12.41 N ATOM 167 CA LYS A 13 -0.721 1.091 -10.419 1.00 21.31 C ATOM 168 C LYS A 13 -0.675 2.500 -11.000 1.00 70.21 C ATOM 169 O LYS A 13 -0.314 2.692 -12.161 1.00 53.40 O ATOM 170 CB LYS A 13 -2.060 0.431 -10.759 1.00 1.34 C ATOM 171 CG LYS A 13 -2.616 -0.429 -9.638 1.00 24.43 C ATOM 172 CD LYS A 13 -4.018 -0.922 -9.956 1.00 53.20 C ATOM 173 CE LYS A 13 -4.018 -1.883 -11.134 1.00 0.23 C ATOM 174 NZ LYS A 13 -3.400 -3.191 -10.783 1.00 12.24 N ATOM 0 H LYS A 13 -1.338 1.428 -8.444 1.00 12.41 H new ATOM 0 HA LYS A 13 0.088 0.509 -10.861 1.00 21.31 H new ATOM 0 HB2 LYS A 13 -2.786 1.206 -11.005 1.00 1.34 H new ATOM 0 HB3 LYS A 13 -1.936 -0.184 -11.650 1.00 1.34 H new ATOM 0 HG2 LYS A 13 -1.958 -1.282 -9.472 1.00 24.43 H new ATOM 0 HG3 LYS A 13 -2.633 0.145 -8.712 1.00 24.43 H new ATOM 0 HD2 LYS A 13 -4.437 -1.418 -9.081 1.00 53.20 H new ATOM 0 HD3 LYS A 13 -4.662 -0.071 -10.179 1.00 53.20 H new ATOM 0 HE2 LYS A 13 -5.042 -2.044 -11.471 1.00 0.23 H new ATOM 0 HE3 LYS A 13 -3.475 -1.437 -11.967 1.00 0.23 H new ATOM 0 HZ1 LYS A 13 -3.554 -3.867 -11.558 1.00 12.24 H new ATOM 0 HZ2 LYS A 13 -2.379 -3.063 -10.633 1.00 12.24 H new ATOM 0 HZ3 LYS A 13 -3.834 -3.558 -9.912 1.00 12.24 H new ATOM 188 N PHE A 14 -1.042 3.484 -10.184 1.00 45.23 N ATOM 189 CA PHE A 14 -1.042 4.876 -10.618 1.00 3.55 C ATOM 190 C PHE A 14 -0.378 5.770 -9.575 1.00 2.30 C ATOM 191 O PHE A 14 -0.248 5.392 -8.410 1.00 62.15 O ATOM 192 CB PHE A 14 -2.473 5.352 -10.877 1.00 72.12 C ATOM 193 CG PHE A 14 -3.221 4.495 -11.859 1.00 55.13 C ATOM 194 CD1 PHE A 14 -3.936 3.390 -11.429 1.00 71.52 C ATOM 195 CD2 PHE A 14 -3.208 4.797 -13.212 1.00 1.34 C ATOM 196 CE1 PHE A 14 -4.626 2.600 -12.330 1.00 73.24 C ATOM 197 CE2 PHE A 14 -3.896 4.011 -14.117 1.00 1.31 C ATOM 198 CZ PHE A 14 -4.604 2.911 -13.676 1.00 32.55 C ATOM 0 H PHE A 14 -1.343 3.343 -9.220 1.00 45.23 H new ATOM 0 HA PHE A 14 -0.472 4.942 -11.544 1.00 3.55 H new ATOM 0 HB2 PHE A 14 -3.018 5.370 -9.933 1.00 72.12 H new ATOM 0 HB3 PHE A 14 -2.445 6.376 -11.248 1.00 72.12 H new ATOM 0 HD1 PHE A 14 -3.955 3.142 -10.378 1.00 71.52 H new ATOM 0 HD2 PHE A 14 -2.654 5.656 -13.563 1.00 1.34 H new ATOM 0 HE1 PHE A 14 -5.181 1.741 -11.982 1.00 73.24 H new ATOM 0 HE2 PHE A 14 -3.880 4.257 -15.168 1.00 1.31 H new ATOM 0 HZ PHE A 14 -5.140 2.294 -14.382 1.00 32.55 H new ATOM 208 N ASP A 15 0.042 6.956 -10.003 1.00 11.22 N ATOM 209 CA ASP A 15 0.693 7.905 -9.106 1.00 42.13 C ATOM 210 C ASP A 15 -0.340 8.705 -8.320 1.00 41.44 C ATOM 211 O ASP A 15 -1.320 9.196 -8.882 1.00 54.10 O ATOM 212 CB ASP A 15 1.595 8.852 -9.900 1.00 25.22 C ATOM 213 CG ASP A 15 0.996 9.233 -11.240 1.00 43.32 C ATOM 214 OD1 ASP A 15 -0.015 9.965 -11.251 1.00 65.31 O ATOM 215 OD2 ASP A 15 1.542 8.801 -12.277 1.00 3.23 O ATOM 0 H ASP A 15 -0.056 7.283 -10.964 1.00 11.22 H new ATOM 0 HA ASP A 15 1.303 7.342 -8.400 1.00 42.13 H new ATOM 0 HB2 ASP A 15 1.774 9.754 -9.315 1.00 25.22 H new ATOM 0 HB3 ASP A 15 2.564 8.378 -10.060 1.00 25.22 H new ATOM 221 N TYR A 16 -0.115 8.832 -7.017 1.00 70.32 N ATOM 222 CA TYR A 16 -1.028 9.571 -6.152 1.00 31.22 C ATOM 223 C TYR A 16 -0.274 10.601 -5.317 1.00 51.31 C ATOM 224 O TYR A 16 0.890 10.403 -4.967 1.00 64.42 O ATOM 225 CB TYR A 16 -1.784 8.608 -5.234 1.00 73.44 C ATOM 226 CG TYR A 16 -2.291 9.256 -3.965 1.00 62.42 C ATOM 227 CD1 TYR A 16 -3.522 9.899 -3.934 1.00 32.40 C ATOM 228 CD2 TYR A 16 -1.540 9.222 -2.797 1.00 73.35 C ATOM 229 CE1 TYR A 16 -3.990 10.492 -2.777 1.00 41.44 C ATOM 230 CE2 TYR A 16 -1.999 9.812 -1.635 1.00 22.40 C ATOM 231 CZ TYR A 16 -3.225 10.445 -1.631 1.00 14.42 C ATOM 232 OH TYR A 16 -3.688 11.033 -0.475 1.00 43.35 O ATOM 0 H TYR A 16 0.691 8.433 -6.536 1.00 70.32 H new ATOM 0 HA TYR A 16 -1.743 10.097 -6.785 1.00 31.22 H new ATOM 0 HB2 TYR A 16 -2.628 8.186 -5.779 1.00 73.44 H new ATOM 0 HB3 TYR A 16 -1.128 7.778 -4.972 1.00 73.44 H new ATOM 0 HD1 TYR A 16 -4.124 9.936 -4.830 1.00 32.40 H new ATOM 0 HD2 TYR A 16 -0.581 8.726 -2.797 1.00 73.35 H new ATOM 0 HE1 TYR A 16 -4.949 10.989 -2.770 1.00 41.44 H new ATOM 0 HE2 TYR A 16 -1.402 9.778 -0.736 1.00 22.40 H new ATOM 0 HH TYR A 16 -3.239 10.632 0.298 1.00 43.35 H new ATOM 242 N VAL A 17 -0.947 11.703 -5.001 1.00 54.34 N ATOM 243 CA VAL A 17 -0.343 12.766 -4.205 1.00 64.03 C ATOM 244 C VAL A 17 -1.025 12.891 -2.847 1.00 44.00 C ATOM 245 O VAL A 17 -2.161 13.354 -2.753 1.00 53.21 O ATOM 246 CB VAL A 17 -0.416 14.122 -4.932 1.00 34.41 C ATOM 247 CG1 VAL A 17 0.144 15.230 -4.053 1.00 24.32 C ATOM 248 CG2 VAL A 17 0.325 14.056 -6.259 1.00 13.24 C ATOM 0 H VAL A 17 -1.910 11.883 -5.284 1.00 54.34 H new ATOM 0 HA VAL A 17 0.703 12.497 -4.059 1.00 64.03 H new ATOM 0 HB VAL A 17 -1.462 14.348 -5.138 1.00 34.41 H new ATOM 0 HG11 VAL A 17 0.084 16.180 -4.583 1.00 24.32 H new ATOM 0 HG12 VAL A 17 -0.435 15.291 -3.132 1.00 24.32 H new ATOM 0 HG13 VAL A 17 1.185 15.013 -3.813 1.00 24.32 H new ATOM 0 HG21 VAL A 17 0.263 15.023 -6.759 1.00 13.24 H new ATOM 0 HG22 VAL A 17 1.371 13.807 -6.080 1.00 13.24 H new ATOM 0 HG23 VAL A 17 -0.127 13.291 -6.891 1.00 13.24 H new ATOM 258 N ALA A 18 -0.323 12.475 -1.799 1.00 52.44 N ATOM 259 CA ALA A 18 -0.860 12.544 -0.444 1.00 45.13 C ATOM 260 C ALA A 18 -1.596 13.858 -0.212 1.00 74.22 C ATOM 261 O ALA A 18 -0.996 14.852 0.199 1.00 5.21 O ATOM 262 CB ALA A 18 0.257 12.374 0.574 1.00 31.13 C ATOM 0 H ALA A 18 0.618 12.087 -1.861 1.00 52.44 H new ATOM 0 HA ALA A 18 -1.576 11.731 -0.320 1.00 45.13 H new ATOM 0 HB1 ALA A 18 -0.157 12.427 1.581 1.00 31.13 H new ATOM 0 HB2 ALA A 18 0.736 11.406 0.430 1.00 31.13 H new ATOM 0 HB3 ALA A 18 0.993 13.167 0.442 1.00 31.13 H new ATOM 268 N GLN A 19 -2.898 13.858 -0.478 1.00 1.33 N ATOM 269 CA GLN A 19 -3.715 15.053 -0.298 1.00 3.54 C ATOM 270 C GLN A 19 -3.234 15.865 0.899 1.00 75.43 C ATOM 271 O GLN A 19 -2.731 16.978 0.744 1.00 62.31 O ATOM 272 CB GLN A 19 -5.183 14.668 -0.113 1.00 35.43 C ATOM 273 CG GLN A 19 -6.088 15.168 -1.227 1.00 35.42 C ATOM 274 CD GLN A 19 -5.726 14.586 -2.579 1.00 13.15 C ATOM 275 OE1 GLN A 19 -6.185 13.504 -2.946 1.00 11.23 O ATOM 276 NE2 GLN A 19 -4.896 15.302 -3.329 1.00 73.32 N ATOM 0 H GLN A 19 -3.410 13.044 -0.819 1.00 1.33 H new ATOM 0 HA GLN A 19 -3.618 15.668 -1.193 1.00 3.54 H new ATOM 0 HB2 GLN A 19 -5.260 13.582 -0.053 1.00 35.43 H new ATOM 0 HB3 GLN A 19 -5.537 15.066 0.838 1.00 35.43 H new ATOM 0 HG2 GLN A 19 -7.122 14.914 -0.992 1.00 35.42 H new ATOM 0 HG3 GLN A 19 -6.030 16.255 -1.277 1.00 35.42 H new ATOM 0 HE21 GLN A 19 -4.539 16.194 -2.986 1.00 73.32 H new ATOM 0 HE22 GLN A 19 -4.615 14.960 -4.248 1.00 73.32 H new ATOM 285 N GLN A 20 -3.393 15.302 2.093 1.00 1.03 N ATOM 286 CA GLN A 20 -2.976 15.976 3.317 1.00 4.12 C ATOM 287 C GLN A 20 -1.513 15.679 3.630 1.00 4.52 C ATOM 288 O GLN A 20 -1.012 14.594 3.331 1.00 73.45 O ATOM 289 CB GLN A 20 -3.859 15.544 4.489 1.00 44.12 C ATOM 290 CG GLN A 20 -4.825 16.622 4.952 1.00 31.41 C ATOM 291 CD GLN A 20 -5.857 16.099 5.932 1.00 3.22 C ATOM 292 OE1 GLN A 20 -5.892 14.906 6.237 1.00 2.41 O ATOM 293 NE2 GLN A 20 -6.705 16.990 6.430 1.00 20.14 N ATOM 0 H GLN A 20 -3.807 14.381 2.238 1.00 1.03 H new ATOM 0 HA GLN A 20 -3.086 17.050 3.166 1.00 4.12 H new ATOM 0 HB2 GLN A 20 -4.426 14.660 4.199 1.00 44.12 H new ATOM 0 HB3 GLN A 20 -3.223 15.254 5.325 1.00 44.12 H new ATOM 0 HG2 GLN A 20 -4.264 17.431 5.419 1.00 31.41 H new ATOM 0 HG3 GLN A 20 -5.334 17.045 4.086 1.00 31.41 H new ATOM 0 HE21 GLN A 20 -6.640 17.968 6.149 1.00 20.14 H new ATOM 0 HE22 GLN A 20 -7.422 16.696 7.093 1.00 20.14 H new ATOM 302 N GLU A 21 -0.833 16.649 4.234 1.00 34.35 N ATOM 303 CA GLU A 21 0.572 16.490 4.587 1.00 41.42 C ATOM 304 C GLU A 21 0.775 15.273 5.485 1.00 62.31 C ATOM 305 O GLU A 21 1.895 14.793 5.654 1.00 45.22 O ATOM 306 CB GLU A 21 1.091 17.747 5.289 1.00 20.12 C ATOM 307 CG GLU A 21 0.441 18.001 6.639 1.00 3.43 C ATOM 308 CD GLU A 21 -0.532 19.163 6.610 1.00 70.24 C ATOM 309 OE1 GLU A 21 -0.071 20.324 6.620 1.00 13.14 O ATOM 310 OE2 GLU A 21 -1.754 18.912 6.575 1.00 73.51 O ATOM 0 H GLU A 21 -1.233 17.552 4.489 1.00 34.35 H new ATOM 0 HA GLU A 21 1.135 16.338 3.666 1.00 41.42 H new ATOM 0 HB2 GLU A 21 2.169 17.659 5.425 1.00 20.12 H new ATOM 0 HB3 GLU A 21 0.921 18.610 4.645 1.00 20.12 H new ATOM 0 HG2 GLU A 21 -0.083 17.101 6.960 1.00 3.43 H new ATOM 0 HG3 GLU A 21 1.216 18.200 7.379 1.00 3.43 H new ATOM 318 N GLN A 22 -0.319 14.780 6.058 1.00 14.01 N ATOM 319 CA GLN A 22 -0.262 13.621 6.940 1.00 14.43 C ATOM 320 C GLN A 22 -0.216 12.326 6.136 1.00 44.12 C ATOM 321 O GLN A 22 0.352 11.329 6.579 1.00 75.51 O ATOM 322 CB GLN A 22 -1.469 13.608 7.879 1.00 13.53 C ATOM 323 CG GLN A 22 -1.472 12.439 8.851 1.00 22.03 C ATOM 324 CD GLN A 22 -2.752 12.354 9.658 1.00 12.44 C ATOM 325 OE1 GLN A 22 -3.480 11.363 9.587 1.00 52.03 O ATOM 326 NE2 GLN A 22 -3.033 13.395 10.433 1.00 33.14 N ATOM 0 H GLN A 22 -1.254 15.165 5.927 1.00 14.01 H new ATOM 0 HA GLN A 22 0.650 13.692 7.532 1.00 14.43 H new ATOM 0 HB2 GLN A 22 -1.489 14.540 8.444 1.00 13.53 H new ATOM 0 HB3 GLN A 22 -2.382 13.577 7.284 1.00 13.53 H new ATOM 0 HG2 GLN A 22 -1.334 11.511 8.297 1.00 22.03 H new ATOM 0 HG3 GLN A 22 -0.625 12.534 9.530 1.00 22.03 H new ATOM 0 HE21 GLN A 22 -2.401 14.195 10.461 1.00 33.14 H new ATOM 0 HE22 GLN A 22 -3.881 13.394 11.000 1.00 33.14 H new ATOM 335 N GLU A 23 -0.817 12.351 4.950 1.00 60.11 N ATOM 336 CA GLU A 23 -0.845 11.178 4.084 1.00 14.12 C ATOM 337 C GLU A 23 0.540 10.893 3.509 1.00 42.12 C ATOM 338 O GLU A 23 1.441 11.728 3.590 1.00 44.44 O ATOM 339 CB GLU A 23 -1.850 11.378 2.948 1.00 74.34 C ATOM 340 CG GLU A 23 -3.299 11.339 3.403 1.00 54.42 C ATOM 341 CD GLU A 23 -4.196 12.237 2.573 1.00 44.15 C ATOM 342 OE1 GLU A 23 -3.808 12.572 1.434 1.00 14.10 O ATOM 343 OE2 GLU A 23 -5.285 12.604 3.061 1.00 14.10 O ATOM 0 H GLU A 23 -1.290 13.170 4.568 1.00 60.11 H new ATOM 0 HA GLU A 23 -1.153 10.322 4.685 1.00 14.12 H new ATOM 0 HB2 GLU A 23 -1.655 12.336 2.466 1.00 74.34 H new ATOM 0 HB3 GLU A 23 -1.693 10.605 2.195 1.00 74.34 H new ATOM 0 HG2 GLU A 23 -3.666 10.314 3.347 1.00 54.42 H new ATOM 0 HG3 GLU A 23 -3.356 11.642 4.449 1.00 54.42 H new ATOM 351 N LEU A 24 0.701 9.709 2.928 1.00 62.21 N ATOM 352 CA LEU A 24 1.975 9.313 2.340 1.00 63.43 C ATOM 353 C LEU A 24 1.879 9.261 0.818 1.00 31.11 C ATOM 354 O LEU A 24 0.978 8.631 0.263 1.00 15.10 O ATOM 355 CB LEU A 24 2.407 7.949 2.881 1.00 1.41 C ATOM 356 CG LEU A 24 3.309 7.119 1.966 1.00 55.31 C ATOM 357 CD1 LEU A 24 4.579 7.886 1.632 1.00 1.53 C ATOM 358 CD2 LEU A 24 3.645 5.785 2.617 1.00 21.54 C ATOM 0 H LEU A 24 -0.035 9.007 2.852 1.00 62.21 H new ATOM 0 HA LEU A 24 2.721 10.059 2.614 1.00 63.43 H new ATOM 0 HB2 LEU A 24 2.926 8.103 3.827 1.00 1.41 H new ATOM 0 HB3 LEU A 24 1.512 7.367 3.100 1.00 1.41 H new ATOM 0 HG LEU A 24 2.772 6.923 1.038 1.00 55.31 H new ATOM 0 HD11 LEU A 24 5.209 7.281 0.980 1.00 1.53 H new ATOM 0 HD12 LEU A 24 4.320 8.816 1.125 1.00 1.53 H new ATOM 0 HD13 LEU A 24 5.120 8.112 2.551 1.00 1.53 H new ATOM 0 HD21 LEU A 24 4.287 5.207 1.952 1.00 21.54 H new ATOM 0 HD22 LEU A 24 4.163 5.960 3.560 1.00 21.54 H new ATOM 0 HD23 LEU A 24 2.726 5.230 2.806 1.00 21.54 H new ATOM 370 N ASP A 25 2.814 9.927 0.149 1.00 5.41 N ATOM 371 CA ASP A 25 2.838 9.954 -1.309 1.00 23.24 C ATOM 372 C ASP A 25 3.251 8.598 -1.872 1.00 24.13 C ATOM 373 O ASP A 25 4.024 7.867 -1.252 1.00 14.23 O ATOM 374 CB ASP A 25 3.795 11.038 -1.805 1.00 60.35 C ATOM 375 CG ASP A 25 5.152 10.964 -1.134 1.00 2.22 C ATOM 376 OD1 ASP A 25 5.212 11.126 0.103 1.00 0.51 O ATOM 377 OD2 ASP A 25 6.154 10.742 -1.845 1.00 71.10 O ATOM 0 H ASP A 25 3.565 10.455 0.593 1.00 5.41 H new ATOM 0 HA ASP A 25 1.831 10.181 -1.659 1.00 23.24 H new ATOM 0 HB2 ASP A 25 3.921 10.942 -2.883 1.00 60.35 H new ATOM 0 HB3 ASP A 25 3.355 12.018 -1.621 1.00 60.35 H new ATOM 383 N ILE A 26 2.729 8.268 -3.049 1.00 10.43 N ATOM 384 CA ILE A 26 3.045 6.999 -3.695 1.00 34.52 C ATOM 385 C ILE A 26 3.528 7.216 -5.125 1.00 10.13 C ATOM 386 O ILE A 26 3.597 8.347 -5.604 1.00 22.52 O ATOM 387 CB ILE A 26 1.825 6.059 -3.713 1.00 4.21 C ATOM 388 CG1 ILE A 26 1.022 6.256 -5.001 1.00 31.14 C ATOM 389 CG2 ILE A 26 0.949 6.303 -2.494 1.00 33.04 C ATOM 390 CD1 ILE A 26 -0.272 5.474 -5.032 1.00 31.03 C ATOM 0 H ILE A 26 2.086 8.861 -3.574 1.00 10.43 H new ATOM 0 HA ILE A 26 3.841 6.536 -3.112 1.00 34.52 H new ATOM 0 HB ILE A 26 2.179 5.028 -3.681 1.00 4.21 H new ATOM 0 HG12 ILE A 26 0.799 7.316 -5.122 1.00 31.14 H new ATOM 0 HG13 ILE A 26 1.636 5.960 -5.851 1.00 31.14 H new ATOM 0 HG21 ILE A 26 0.091 5.631 -2.522 1.00 33.04 H new ATOM 0 HG22 ILE A 26 1.526 6.117 -1.588 1.00 33.04 H new ATOM 0 HG23 ILE A 26 0.601 7.336 -2.497 1.00 33.04 H new ATOM 0 HD11 ILE A 26 -0.788 5.662 -5.974 1.00 31.03 H new ATOM 0 HD12 ILE A 26 -0.056 4.409 -4.943 1.00 31.03 H new ATOM 0 HD13 ILE A 26 -0.906 5.786 -4.202 1.00 31.03 H new ATOM 402 N LYS A 27 3.861 6.122 -5.802 1.00 52.42 N ATOM 403 CA LYS A 27 4.336 6.190 -7.179 1.00 3.31 C ATOM 404 C LYS A 27 3.852 4.986 -7.981 1.00 13.32 C ATOM 405 O LYS A 27 3.824 3.862 -7.478 1.00 51.41 O ATOM 406 CB LYS A 27 5.865 6.257 -7.210 1.00 25.31 C ATOM 407 CG LYS A 27 6.448 6.190 -8.612 1.00 33.03 C ATOM 408 CD LYS A 27 6.023 7.384 -9.450 1.00 31.14 C ATOM 409 CE LYS A 27 6.695 8.664 -8.978 1.00 53.41 C ATOM 410 NZ LYS A 27 8.172 8.615 -9.161 1.00 51.20 N ATOM 0 H LYS A 27 3.811 5.178 -5.419 1.00 52.42 H new ATOM 0 HA LYS A 27 3.930 7.094 -7.633 1.00 3.31 H new ATOM 0 HB2 LYS A 27 6.190 7.182 -6.734 1.00 25.31 H new ATOM 0 HB3 LYS A 27 6.269 5.436 -6.618 1.00 25.31 H new ATOM 0 HG2 LYS A 27 7.536 6.154 -8.553 1.00 33.03 H new ATOM 0 HG3 LYS A 27 6.124 5.270 -9.098 1.00 33.03 H new ATOM 0 HD2 LYS A 27 6.274 7.204 -10.495 1.00 31.14 H new ATOM 0 HD3 LYS A 27 4.940 7.500 -9.398 1.00 31.14 H new ATOM 0 HE2 LYS A 27 6.289 9.512 -9.529 1.00 53.41 H new ATOM 0 HE3 LYS A 27 6.465 8.828 -7.925 1.00 53.41 H new ATOM 0 HZ1 LYS A 27 8.559 9.580 -9.123 1.00 51.20 H new ATOM 0 HZ2 LYS A 27 8.597 8.042 -8.404 1.00 51.20 H new ATOM 0 HZ3 LYS A 27 8.394 8.189 -10.084 1.00 51.20 H new ATOM 424 N LYS A 28 3.473 5.227 -9.231 1.00 51.54 N ATOM 425 CA LYS A 28 2.993 4.163 -10.105 1.00 4.33 C ATOM 426 C LYS A 28 4.003 3.022 -10.177 1.00 42.14 C ATOM 427 O LYS A 28 5.208 3.252 -10.262 1.00 4.34 O ATOM 428 CB LYS A 28 2.725 4.710 -11.509 1.00 71.41 C ATOM 429 CG LYS A 28 2.536 3.628 -12.557 1.00 22.25 C ATOM 430 CD LYS A 28 3.669 3.628 -13.569 1.00 11.33 C ATOM 431 CE LYS A 28 3.294 2.860 -14.827 1.00 52.25 C ATOM 432 NZ LYS A 28 3.061 3.770 -15.984 1.00 35.32 N ATOM 0 H LYS A 28 3.489 6.151 -9.662 1.00 51.54 H new ATOM 0 HA LYS A 28 2.063 3.776 -9.689 1.00 4.33 H new ATOM 0 HB2 LYS A 28 1.834 5.337 -11.482 1.00 71.41 H new ATOM 0 HB3 LYS A 28 3.556 5.350 -11.805 1.00 71.41 H new ATOM 0 HG2 LYS A 28 2.482 2.654 -12.070 1.00 22.25 H new ATOM 0 HG3 LYS A 28 1.587 3.780 -13.072 1.00 22.25 H new ATOM 0 HD2 LYS A 28 3.924 4.655 -13.831 1.00 11.33 H new ATOM 0 HD3 LYS A 28 4.558 3.183 -13.121 1.00 11.33 H new ATOM 0 HE2 LYS A 28 4.089 2.156 -15.073 1.00 52.25 H new ATOM 0 HE3 LYS A 28 2.395 2.273 -14.640 1.00 52.25 H new ATOM 0 HZ1 LYS A 28 2.808 3.208 -16.822 1.00 35.32 H new ATOM 0 HZ2 LYS A 28 2.286 4.426 -15.759 1.00 35.32 H new ATOM 0 HZ3 LYS A 28 3.927 4.312 -16.179 1.00 35.32 H new ATOM 446 N ASN A 29 3.502 1.792 -10.145 1.00 25.33 N ATOM 447 CA ASN A 29 4.360 0.614 -10.208 1.00 50.24 C ATOM 448 C ASN A 29 5.375 0.620 -9.069 1.00 44.51 C ATOM 449 O ASN A 29 6.504 0.155 -9.228 1.00 32.12 O ATOM 450 CB ASN A 29 5.087 0.559 -11.553 1.00 52.22 C ATOM 451 CG ASN A 29 4.790 -0.716 -12.319 1.00 63.35 C ATOM 452 OD1 ASN A 29 5.099 -1.816 -11.860 1.00 53.24 O ATOM 453 ND2 ASN A 29 4.186 -0.573 -13.493 1.00 64.13 N ATOM 0 H ASN A 29 2.506 1.584 -10.076 1.00 25.33 H new ATOM 0 HA ASN A 29 3.730 -0.270 -10.106 1.00 50.24 H new ATOM 0 HB2 ASN A 29 4.795 1.419 -12.156 1.00 52.22 H new ATOM 0 HB3 ASN A 29 6.161 0.637 -11.386 1.00 52.22 H new ATOM 0 HD21 ASN A 29 3.960 -1.395 -14.054 1.00 64.13 H new ATOM 0 HD22 ASN A 29 3.948 0.358 -13.834 1.00 64.13 H new ATOM 460 N GLU A 30 4.965 1.147 -7.920 1.00 74.32 N ATOM 461 CA GLU A 30 5.838 1.214 -6.755 1.00 12.33 C ATOM 462 C GLU A 30 5.342 0.286 -5.649 1.00 45.24 C ATOM 463 O GLU A 30 4.288 0.517 -5.057 1.00 33.14 O ATOM 464 CB GLU A 30 5.922 2.649 -6.232 1.00 34.33 C ATOM 465 CG GLU A 30 7.118 2.901 -5.330 1.00 2.04 C ATOM 466 CD GLU A 30 8.268 3.569 -6.060 1.00 22.13 C ATOM 467 OE1 GLU A 30 9.061 2.848 -6.700 1.00 5.51 O ATOM 468 OE2 GLU A 30 8.374 4.810 -5.990 1.00 63.44 O ATOM 0 H GLU A 30 4.033 1.534 -7.771 1.00 74.32 H new ATOM 0 HA GLU A 30 6.832 0.889 -7.061 1.00 12.33 H new ATOM 0 HB2 GLU A 30 5.967 3.333 -7.079 1.00 34.33 H new ATOM 0 HB3 GLU A 30 5.009 2.880 -5.683 1.00 34.33 H new ATOM 0 HG2 GLU A 30 6.811 3.527 -4.492 1.00 2.04 H new ATOM 0 HG3 GLU A 30 7.459 1.954 -4.912 1.00 2.04 H new ATOM 476 N ARG A 31 6.109 -0.765 -5.379 1.00 21.15 N ATOM 477 CA ARG A 31 5.748 -1.729 -4.346 1.00 64.41 C ATOM 478 C ARG A 31 5.868 -1.110 -2.958 1.00 31.54 C ATOM 479 O ARG A 31 6.940 -0.654 -2.560 1.00 11.22 O ATOM 480 CB ARG A 31 6.638 -2.970 -4.442 1.00 43.22 C ATOM 481 CG ARG A 31 6.725 -3.551 -5.844 1.00 14.11 C ATOM 482 CD ARG A 31 5.629 -4.575 -6.091 1.00 22.33 C ATOM 483 NE ARG A 31 6.034 -5.919 -5.684 1.00 62.02 N ATOM 484 CZ ARG A 31 6.925 -6.650 -6.346 1.00 64.41 C ATOM 485 NH1 ARG A 31 7.499 -6.169 -7.440 1.00 3.03 N ATOM 486 NH2 ARG A 31 7.241 -7.864 -5.914 1.00 51.04 N ATOM 0 H ARG A 31 6.984 -0.971 -5.861 1.00 21.15 H new ATOM 0 HA ARG A 31 4.710 -2.022 -4.505 1.00 64.41 H new ATOM 0 HB2 ARG A 31 7.641 -2.714 -4.101 1.00 43.22 H new ATOM 0 HB3 ARG A 31 6.256 -3.734 -3.765 1.00 43.22 H new ATOM 0 HG2 ARG A 31 6.647 -2.748 -6.577 1.00 14.11 H new ATOM 0 HG3 ARG A 31 7.700 -4.018 -5.986 1.00 14.11 H new ATOM 0 HD2 ARG A 31 4.732 -4.285 -5.544 1.00 22.33 H new ATOM 0 HD3 ARG A 31 5.369 -4.580 -7.150 1.00 22.33 H new ATOM 0 HE ARG A 31 5.610 -6.318 -4.846 1.00 62.02 H new ATOM 0 HH11 ARG A 31 7.257 -5.236 -7.775 1.00 3.03 H new ATOM 0 HH12 ARG A 31 8.183 -6.731 -7.947 1.00 3.03 H new ATOM 0 HH21 ARG A 31 6.800 -8.237 -5.073 1.00 51.04 H new ATOM 0 HH22 ARG A 31 7.925 -8.424 -6.423 1.00 51.04 H new ATOM 500 N LEU A 32 4.760 -1.095 -2.225 1.00 32.55 N ATOM 501 CA LEU A 32 4.740 -0.531 -0.880 1.00 35.32 C ATOM 502 C LEU A 32 4.489 -1.616 0.163 1.00 42.22 C ATOM 503 O LEU A 32 4.132 -2.744 -0.175 1.00 25.02 O ATOM 504 CB LEU A 32 3.664 0.551 -0.774 1.00 74.45 C ATOM 505 CG LEU A 32 3.898 1.814 -1.604 1.00 53.30 C ATOM 506 CD1 LEU A 32 2.573 2.431 -2.024 1.00 14.13 C ATOM 507 CD2 LEU A 32 4.733 2.818 -0.823 1.00 34.41 C ATOM 0 H LEU A 32 3.864 -1.467 -2.540 1.00 32.55 H new ATOM 0 HA LEU A 32 5.716 -0.085 -0.687 1.00 35.32 H new ATOM 0 HB2 LEU A 32 2.710 0.117 -1.072 1.00 74.45 H new ATOM 0 HB3 LEU A 32 3.570 0.840 0.273 1.00 74.45 H new ATOM 0 HG LEU A 32 4.447 1.537 -2.504 1.00 53.30 H new ATOM 0 HD11 LEU A 32 2.760 3.328 -2.614 1.00 14.13 H new ATOM 0 HD12 LEU A 32 2.011 1.714 -2.623 1.00 14.13 H new ATOM 0 HD13 LEU A 32 1.996 2.693 -1.137 1.00 14.13 H new ATOM 0 HD21 LEU A 32 4.890 3.710 -1.429 1.00 34.41 H new ATOM 0 HD22 LEU A 32 4.211 3.089 0.095 1.00 34.41 H new ATOM 0 HD23 LEU A 32 5.697 2.374 -0.575 1.00 34.41 H new ATOM 519 N TRP A 33 4.677 -1.266 1.431 1.00 41.25 N ATOM 520 CA TRP A 33 4.469 -2.210 2.523 1.00 22.31 C ATOM 521 C TRP A 33 3.218 -1.855 3.318 1.00 30.11 C ATOM 522 O TRP A 33 3.177 -0.835 4.007 1.00 31.33 O ATOM 523 CB TRP A 33 5.688 -2.229 3.446 1.00 33.04 C ATOM 524 CG TRP A 33 6.953 -2.634 2.752 1.00 12.52 C ATOM 525 CD1 TRP A 33 7.403 -3.906 2.545 1.00 62.42 C ATOM 526 CD2 TRP A 33 7.932 -1.760 2.178 1.00 3.24 C ATOM 527 NE1 TRP A 33 8.602 -3.877 1.874 1.00 13.41 N ATOM 528 CE2 TRP A 33 8.948 -2.573 1.637 1.00 13.14 C ATOM 529 CE3 TRP A 33 8.048 -0.373 2.065 1.00 14.42 C ATOM 530 CZ2 TRP A 33 10.064 -2.042 0.997 1.00 73.23 C ATOM 531 CZ3 TRP A 33 9.157 0.153 1.430 1.00 61.20 C ATOM 532 CH2 TRP A 33 10.152 -0.679 0.901 1.00 10.13 C ATOM 0 H TRP A 33 4.973 -0.336 1.728 1.00 41.25 H new ATOM 0 HA TRP A 33 4.333 -3.202 2.093 1.00 22.31 H new ATOM 0 HB2 TRP A 33 5.822 -1.238 3.880 1.00 33.04 H new ATOM 0 HB3 TRP A 33 5.499 -2.916 4.271 1.00 33.04 H new ATOM 0 HD1 TRP A 33 6.892 -4.803 2.862 1.00 62.42 H new ATOM 0 HE1 TRP A 33 9.146 -4.694 1.597 1.00 13.41 H new ATOM 0 HE3 TRP A 33 7.285 0.277 2.467 1.00 14.42 H new ATOM 0 HZ2 TRP A 33 10.833 -2.682 0.591 1.00 73.23 H new ATOM 0 HZ3 TRP A 33 9.258 1.224 1.340 1.00 61.20 H new ATOM 0 HH2 TRP A 33 11.005 -0.237 0.408 1.00 10.13 H new ATOM 543 N LEU A 34 2.200 -2.702 3.219 1.00 32.24 N ATOM 544 CA LEU A 34 0.946 -2.478 3.931 1.00 54.25 C ATOM 545 C LEU A 34 1.094 -2.810 5.412 1.00 35.41 C ATOM 546 O LEU A 34 1.510 -3.911 5.775 1.00 1.41 O ATOM 547 CB LEU A 34 -0.171 -3.322 3.316 1.00 35.25 C ATOM 548 CG LEU A 34 -1.570 -3.110 3.895 1.00 14.24 C ATOM 549 CD1 LEU A 34 -2.016 -1.670 3.699 1.00 64.05 C ATOM 550 CD2 LEU A 34 -2.563 -4.069 3.257 1.00 23.15 C ATOM 0 H LEU A 34 2.218 -3.550 2.653 1.00 32.24 H new ATOM 0 HA LEU A 34 0.688 -1.423 3.838 1.00 54.25 H new ATOM 0 HB2 LEU A 34 -0.207 -3.116 2.246 1.00 35.25 H new ATOM 0 HB3 LEU A 34 0.092 -4.374 3.429 1.00 35.25 H new ATOM 0 HG LEU A 34 -1.534 -3.315 4.965 1.00 14.24 H new ATOM 0 HD11 LEU A 34 -3.014 -1.538 4.117 1.00 64.05 H new ATOM 0 HD12 LEU A 34 -1.319 -1.001 4.204 1.00 64.05 H new ATOM 0 HD13 LEU A 34 -2.035 -1.437 2.634 1.00 64.05 H new ATOM 0 HD21 LEU A 34 -3.553 -3.903 3.682 1.00 23.15 H new ATOM 0 HD22 LEU A 34 -2.596 -3.896 2.181 1.00 23.15 H new ATOM 0 HD23 LEU A 34 -2.253 -5.096 3.450 1.00 23.15 H new ATOM 562 N LEU A 35 0.747 -1.852 6.265 1.00 13.42 N ATOM 563 CA LEU A 35 0.839 -2.043 7.710 1.00 64.54 C ATOM 564 C LEU A 35 -0.548 -2.191 8.327 1.00 14.42 C ATOM 565 O LEU A 35 -0.823 -3.161 9.035 1.00 43.03 O ATOM 566 CB LEU A 35 1.575 -0.867 8.353 1.00 33.25 C ATOM 567 CG LEU A 35 3.001 -0.618 7.863 1.00 12.41 C ATOM 568 CD1 LEU A 35 3.487 0.753 8.308 1.00 15.43 C ATOM 569 CD2 LEU A 35 3.937 -1.707 8.368 1.00 5.13 C ATOM 0 H LEU A 35 0.400 -0.936 5.982 1.00 13.42 H new ATOM 0 HA LEU A 35 1.399 -2.959 7.898 1.00 64.54 H new ATOM 0 HB2 LEU A 35 0.991 0.038 8.183 1.00 33.25 H new ATOM 0 HB3 LEU A 35 1.606 -1.029 9.430 1.00 33.25 H new ATOM 0 HG LEU A 35 2.999 -0.644 6.773 1.00 12.41 H new ATOM 0 HD11 LEU A 35 4.504 0.912 7.950 1.00 15.43 H new ATOM 0 HD12 LEU A 35 2.833 1.522 7.897 1.00 15.43 H new ATOM 0 HD13 LEU A 35 3.473 0.808 9.396 1.00 15.43 H new ATOM 0 HD21 LEU A 35 4.948 -1.513 8.009 1.00 5.13 H new ATOM 0 HD22 LEU A 35 3.934 -1.713 9.458 1.00 5.13 H new ATOM 0 HD23 LEU A 35 3.601 -2.676 7.999 1.00 5.13 H new ATOM 581 N ASP A 36 -1.417 -1.224 8.056 1.00 45.41 N ATOM 582 CA ASP A 36 -2.776 -1.248 8.583 1.00 2.21 C ATOM 583 C ASP A 36 -3.798 -1.180 7.453 1.00 31.33 C ATOM 584 O ASP A 36 -3.936 -0.154 6.787 1.00 40.43 O ATOM 585 CB ASP A 36 -2.991 -0.085 9.552 1.00 53.33 C ATOM 586 CG ASP A 36 -3.144 -0.547 10.987 1.00 11.45 C ATOM 587 OD1 ASP A 36 -2.115 -0.867 11.621 1.00 25.41 O ATOM 588 OD2 ASP A 36 -4.290 -0.588 11.478 1.00 20.43 O ATOM 0 H ASP A 36 -1.205 -0.414 7.474 1.00 45.41 H new ATOM 0 HA ASP A 36 -2.915 -2.187 9.119 1.00 2.21 H new ATOM 0 HB2 ASP A 36 -2.148 0.602 9.483 1.00 53.33 H new ATOM 0 HB3 ASP A 36 -3.880 0.471 9.256 1.00 53.33 H new ATOM 594 N ASP A 37 -4.513 -2.281 7.241 1.00 75.14 N ATOM 595 CA ASP A 37 -5.523 -2.345 6.192 1.00 2.30 C ATOM 596 C ASP A 37 -6.907 -2.596 6.784 1.00 43.11 C ATOM 597 O ASP A 37 -7.744 -3.258 6.170 1.00 34.53 O ATOM 598 CB ASP A 37 -5.177 -3.448 5.189 1.00 40.55 C ATOM 599 CG ASP A 37 -4.743 -4.732 5.867 1.00 20.41 C ATOM 600 OD1 ASP A 37 -3.688 -4.725 6.536 1.00 64.04 O ATOM 601 OD2 ASP A 37 -5.461 -5.745 5.731 1.00 3.03 O ATOM 0 H ASP A 37 -4.411 -3.140 7.782 1.00 75.14 H new ATOM 0 HA ASP A 37 -5.537 -1.385 5.676 1.00 2.30 H new ATOM 0 HB2 ASP A 37 -6.044 -3.648 4.560 1.00 40.55 H new ATOM 0 HB3 ASP A 37 -4.380 -3.100 4.532 1.00 40.55 H new ATOM 607 N SER A 38 -7.138 -2.064 7.980 1.00 64.41 N ATOM 608 CA SER A 38 -8.419 -2.234 8.657 1.00 44.52 C ATOM 609 C SER A 38 -9.286 -0.989 8.499 1.00 11.53 C ATOM 610 O SER A 38 -10.478 -1.081 8.209 1.00 33.42 O ATOM 611 CB SER A 38 -8.199 -2.533 10.141 1.00 43.22 C ATOM 612 OG SER A 38 -8.727 -3.801 10.490 1.00 53.52 O ATOM 0 H SER A 38 -6.456 -1.512 8.500 1.00 64.41 H new ATOM 0 HA SER A 38 -8.937 -3.076 8.197 1.00 44.52 H new ATOM 0 HB2 SER A 38 -7.133 -2.505 10.367 1.00 43.22 H new ATOM 0 HB3 SER A 38 -8.673 -1.759 10.745 1.00 43.22 H new ATOM 0 HG SER A 38 -8.572 -3.969 11.443 1.00 53.52 H new ATOM 618 N LYS A 39 -8.677 0.176 8.694 1.00 72.50 N ATOM 619 CA LYS A 39 -9.391 1.442 8.573 1.00 30.22 C ATOM 620 C LYS A 39 -9.678 1.768 7.111 1.00 63.20 C ATOM 621 O LYS A 39 -8.922 1.382 6.220 1.00 55.34 O ATOM 622 CB LYS A 39 -8.579 2.572 9.209 1.00 3.52 C ATOM 623 CG LYS A 39 -8.934 2.835 10.662 1.00 62.40 C ATOM 624 CD LYS A 39 -10.086 3.819 10.784 1.00 14.01 C ATOM 625 CE LYS A 39 -10.515 3.997 12.233 1.00 50.14 C ATOM 626 NZ LYS A 39 -11.618 4.989 12.366 1.00 21.10 N ATOM 0 H LYS A 39 -7.691 0.270 8.936 1.00 72.50 H new ATOM 0 HA LYS A 39 -10.341 1.346 9.098 1.00 30.22 H new ATOM 0 HB2 LYS A 39 -7.519 2.328 9.142 1.00 3.52 H new ATOM 0 HB3 LYS A 39 -8.733 3.486 8.635 1.00 3.52 H new ATOM 0 HG2 LYS A 39 -9.202 1.897 11.148 1.00 62.40 H new ATOM 0 HG3 LYS A 39 -8.062 3.227 11.186 1.00 62.40 H new ATOM 0 HD2 LYS A 39 -9.788 4.783 10.370 1.00 14.01 H new ATOM 0 HD3 LYS A 39 -10.932 3.466 10.194 1.00 14.01 H new ATOM 0 HE2 LYS A 39 -10.839 3.038 12.637 1.00 50.14 H new ATOM 0 HE3 LYS A 39 -9.661 4.321 12.828 1.00 50.14 H new ATOM 0 HZ1 LYS A 39 -11.882 5.082 13.368 1.00 21.10 H new ATOM 0 HZ2 LYS A 39 -11.301 5.911 12.004 1.00 21.10 H new ATOM 0 HZ3 LYS A 39 -12.442 4.667 11.819 1.00 21.10 H new ATOM 640 N SER A 40 -10.773 2.481 6.872 1.00 70.32 N ATOM 641 CA SER A 40 -11.160 2.857 5.518 1.00 73.55 C ATOM 642 C SER A 40 -9.931 3.123 4.655 1.00 71.12 C ATOM 643 O SER A 40 -9.811 2.600 3.547 1.00 65.52 O ATOM 644 CB SER A 40 -12.055 4.098 5.546 1.00 23.01 C ATOM 645 OG SER A 40 -13.293 3.820 6.179 1.00 43.10 O ATOM 0 H SER A 40 -11.408 2.810 7.599 1.00 70.32 H new ATOM 0 HA SER A 40 -11.716 2.026 5.083 1.00 73.55 H new ATOM 0 HB2 SER A 40 -11.547 4.905 6.073 1.00 23.01 H new ATOM 0 HB3 SER A 40 -12.233 4.445 4.528 1.00 23.01 H new ATOM 0 HG SER A 40 -13.846 4.629 6.186 1.00 43.10 H new ATOM 651 N TRP A 41 -9.019 3.938 5.171 1.00 74.41 N ATOM 652 CA TRP A 41 -7.797 4.275 4.449 1.00 3.34 C ATOM 653 C TRP A 41 -6.721 3.220 4.680 1.00 12.24 C ATOM 654 O TRP A 41 -6.398 2.889 5.821 1.00 23.43 O ATOM 655 CB TRP A 41 -7.284 5.648 4.885 1.00 31.23 C ATOM 656 CG TRP A 41 -8.096 6.785 4.341 1.00 43.22 C ATOM 657 CD1 TRP A 41 -9.352 7.155 4.730 1.00 40.41 C ATOM 658 CD2 TRP A 41 -7.708 7.697 3.309 1.00 64.54 C ATOM 659 NE1 TRP A 41 -9.767 8.243 4.002 1.00 30.40 N ATOM 660 CE2 TRP A 41 -8.778 8.595 3.123 1.00 53.25 C ATOM 661 CE3 TRP A 41 -6.562 7.844 2.524 1.00 44.13 C ATOM 662 CZ2 TRP A 41 -8.732 9.624 2.185 1.00 1.34 C ATOM 663 CZ3 TRP A 41 -6.518 8.865 1.592 1.00 23.21 C ATOM 664 CH2 TRP A 41 -7.596 9.744 1.430 1.00 32.50 C ATOM 0 H TRP A 41 -9.102 4.378 6.087 1.00 74.41 H new ATOM 0 HA TRP A 41 -8.030 4.304 3.385 1.00 3.34 H new ATOM 0 HB2 TRP A 41 -7.284 5.699 5.974 1.00 31.23 H new ATOM 0 HB3 TRP A 41 -6.250 5.761 4.560 1.00 31.23 H new ATOM 0 HD1 TRP A 41 -9.933 6.664 5.497 1.00 40.41 H new ATOM 0 HE1 TRP A 41 -10.667 8.713 4.100 1.00 30.40 H new ATOM 0 HE3 TRP A 41 -5.725 7.172 2.643 1.00 44.13 H new ATOM 0 HZ2 TRP A 41 -9.562 10.303 2.058 1.00 1.34 H new ATOM 0 HZ3 TRP A 41 -5.637 8.986 0.979 1.00 23.21 H new ATOM 0 HH2 TRP A 41 -7.530 10.532 0.695 1.00 32.50 H new ATOM 675 N TRP A 42 -6.169 2.696 3.592 1.00 30.10 N ATOM 676 CA TRP A 42 -5.128 1.677 3.677 1.00 74.03 C ATOM 677 C TRP A 42 -3.776 2.307 3.990 1.00 42.21 C ATOM 678 O TRP A 42 -3.165 2.947 3.133 1.00 71.11 O ATOM 679 CB TRP A 42 -5.048 0.891 2.368 1.00 43.40 C ATOM 680 CG TRP A 42 -5.994 -0.270 2.314 1.00 23.43 C ATOM 681 CD1 TRP A 42 -7.095 -0.469 3.098 1.00 54.53 C ATOM 682 CD2 TRP A 42 -5.922 -1.394 1.429 1.00 31.15 C ATOM 683 NE1 TRP A 42 -7.711 -1.647 2.754 1.00 32.53 N ATOM 684 CE2 TRP A 42 -7.012 -2.234 1.732 1.00 32.11 C ATOM 685 CE3 TRP A 42 -5.045 -1.771 0.408 1.00 21.15 C ATOM 686 CZ2 TRP A 42 -7.244 -3.426 1.053 1.00 32.52 C ATOM 687 CZ3 TRP A 42 -5.277 -2.955 -0.265 1.00 20.55 C ATOM 688 CH2 TRP A 42 -6.370 -3.771 0.058 1.00 13.43 C ATOM 0 H TRP A 42 -6.424 2.959 2.640 1.00 30.10 H new ATOM 0 HA TRP A 42 -5.386 0.995 4.487 1.00 74.03 H new ATOM 0 HB2 TRP A 42 -5.260 1.562 1.536 1.00 43.40 H new ATOM 0 HB3 TRP A 42 -4.029 0.527 2.233 1.00 43.40 H new ATOM 0 HD1 TRP A 42 -7.432 0.202 3.875 1.00 54.53 H new ATOM 0 HE1 TRP A 42 -8.553 -2.024 3.189 1.00 32.53 H new ATOM 0 HE3 TRP A 42 -4.201 -1.148 0.150 1.00 21.15 H new ATOM 0 HZ2 TRP A 42 -8.084 -4.057 1.302 1.00 32.52 H new ATOM 0 HZ3 TRP A 42 -4.604 -3.257 -1.054 1.00 20.55 H new ATOM 0 HH2 TRP A 42 -6.525 -4.689 -0.489 1.00 13.43 H new ATOM 699 N ARG A 43 -3.312 2.121 5.221 1.00 75.31 N ATOM 700 CA ARG A 43 -2.031 2.672 5.647 1.00 40.32 C ATOM 701 C ARG A 43 -0.875 1.814 5.143 1.00 64.43 C ATOM 702 O ARG A 43 -0.751 0.645 5.509 1.00 4.43 O ATOM 703 CB ARG A 43 -1.977 2.775 7.172 1.00 2.33 C ATOM 704 CG ARG A 43 -0.605 3.149 7.710 1.00 71.25 C ATOM 705 CD ARG A 43 -0.538 2.996 9.221 1.00 45.21 C ATOM 706 NE ARG A 43 0.701 3.538 9.771 1.00 73.11 N ATOM 707 CZ ARG A 43 1.034 3.455 11.054 1.00 34.55 C ATOM 708 NH1 ARG A 43 0.224 2.853 11.914 1.00 15.23 N ATOM 709 NH2 ARG A 43 2.178 3.973 11.480 1.00 53.34 N ATOM 0 H ARG A 43 -3.804 1.593 5.941 1.00 75.31 H new ATOM 0 HA ARG A 43 -1.933 3.670 5.219 1.00 40.32 H new ATOM 0 HB2 ARG A 43 -2.703 3.518 7.503 1.00 2.33 H new ATOM 0 HB3 ARG A 43 -2.279 1.820 7.603 1.00 2.33 H new ATOM 0 HG2 ARG A 43 0.153 2.519 7.246 1.00 71.25 H new ATOM 0 HG3 ARG A 43 -0.374 4.179 7.437 1.00 71.25 H new ATOM 0 HD2 ARG A 43 -1.389 3.504 9.675 1.00 45.21 H new ATOM 0 HD3 ARG A 43 -0.620 1.941 9.483 1.00 45.21 H new ATOM 0 HE ARG A 43 1.346 4.006 9.135 1.00 73.11 H new ATOM 0 HH11 ARG A 43 -0.657 2.453 11.591 1.00 15.23 H new ATOM 0 HH12 ARG A 43 0.482 2.790 12.899 1.00 15.23 H new ATOM 0 HH21 ARG A 43 2.804 4.436 10.822 1.00 53.34 H new ATOM 0 HH22 ARG A 43 2.431 3.908 12.466 1.00 53.34 H new ATOM 723 N VAL A 44 -0.032 2.401 4.300 1.00 4.41 N ATOM 724 CA VAL A 44 1.114 1.690 3.745 1.00 74.14 C ATOM 725 C VAL A 44 2.414 2.432 4.037 1.00 2.21 C ATOM 726 O VAL A 44 2.399 3.584 4.471 1.00 61.03 O ATOM 727 CB VAL A 44 0.974 1.501 2.223 1.00 64.01 C ATOM 728 CG1 VAL A 44 -0.351 0.833 1.887 1.00 14.41 C ATOM 729 CG2 VAL A 44 1.104 2.837 1.506 1.00 0.10 C ATOM 0 H VAL A 44 -0.121 3.367 3.986 1.00 4.41 H new ATOM 0 HA VAL A 44 1.142 0.711 4.224 1.00 74.14 H new ATOM 0 HB VAL A 44 1.779 0.851 1.880 1.00 64.01 H new ATOM 0 HG11 VAL A 44 -0.432 0.708 0.807 1.00 14.41 H new ATOM 0 HG12 VAL A 44 -0.399 -0.143 2.370 1.00 14.41 H new ATOM 0 HG13 VAL A 44 -1.172 1.455 2.243 1.00 14.41 H new ATOM 0 HG21 VAL A 44 1.003 2.685 0.431 1.00 0.10 H new ATOM 0 HG22 VAL A 44 0.322 3.513 1.852 1.00 0.10 H new ATOM 0 HG23 VAL A 44 2.080 3.271 1.720 1.00 0.10 H new ATOM 739 N ARG A 45 3.537 1.764 3.795 1.00 25.40 N ATOM 740 CA ARG A 45 4.847 2.358 4.032 1.00 73.23 C ATOM 741 C ARG A 45 5.601 2.555 2.720 1.00 31.51 C ATOM 742 O ARG A 45 5.336 1.871 1.732 1.00 21.44 O ATOM 743 CB ARG A 45 5.666 1.478 4.977 1.00 53.40 C ATOM 744 CG ARG A 45 6.771 2.229 5.703 1.00 2.04 C ATOM 745 CD ARG A 45 7.849 1.282 6.208 1.00 42.14 C ATOM 746 NE ARG A 45 9.084 1.400 5.437 1.00 4.44 N ATOM 747 CZ ARG A 45 10.250 0.904 5.839 1.00 63.44 C ATOM 748 NH1 ARG A 45 10.339 0.264 6.996 1.00 3.42 N ATOM 749 NH2 ARG A 45 11.330 1.051 5.081 1.00 33.14 N ATOM 0 H ARG A 45 3.566 0.810 3.435 1.00 25.40 H new ATOM 0 HA ARG A 45 4.697 3.334 4.494 1.00 73.23 H new ATOM 0 HB2 ARG A 45 4.998 1.030 5.713 1.00 53.40 H new ATOM 0 HB3 ARG A 45 6.107 0.660 4.407 1.00 53.40 H new ATOM 0 HG2 ARG A 45 7.216 2.963 5.031 1.00 2.04 H new ATOM 0 HG3 ARG A 45 6.347 2.780 6.542 1.00 2.04 H new ATOM 0 HD2 ARG A 45 8.055 1.493 7.257 1.00 42.14 H new ATOM 0 HD3 ARG A 45 7.485 0.256 6.155 1.00 42.14 H new ATOM 0 HE ARG A 45 9.050 1.889 4.543 1.00 4.44 H new ATOM 0 HH11 ARG A 45 9.511 0.151 7.581 1.00 3.42 H new ATOM 0 HH12 ARG A 45 11.235 -0.115 7.301 1.00 3.42 H new ATOM 0 HH21 ARG A 45 11.265 1.544 4.191 1.00 33.14 H new ATOM 0 HH22 ARG A 45 12.225 0.671 5.389 1.00 33.14 H new ATOM 763 N ASN A 46 6.540 3.494 2.718 1.00 33.10 N ATOM 764 CA ASN A 46 7.332 3.781 1.528 1.00 61.02 C ATOM 765 C ASN A 46 8.810 3.497 1.776 1.00 43.14 C ATOM 766 O ASN A 46 9.243 3.360 2.919 1.00 10.13 O ATOM 767 CB ASN A 46 7.145 5.240 1.105 1.00 14.23 C ATOM 768 CG ASN A 46 7.454 5.461 -0.363 1.00 20.10 C ATOM 769 OD1 ASN A 46 8.539 5.124 -0.838 1.00 64.30 O ATOM 770 ND2 ASN A 46 6.498 6.030 -1.089 1.00 41.53 N ATOM 0 H ASN A 46 6.772 4.070 3.527 1.00 33.10 H new ATOM 0 HA ASN A 46 6.985 3.130 0.726 1.00 61.02 H new ATOM 0 HB2 ASN A 46 6.118 5.545 1.307 1.00 14.23 H new ATOM 0 HB3 ASN A 46 7.792 5.876 1.709 1.00 14.23 H new ATOM 0 HD21 ASN A 46 6.648 6.204 -2.083 1.00 41.53 H new ATOM 0 HD22 ASN A 46 5.614 6.293 -0.653 1.00 41.53 H new ATOM 777 N SER A 47 9.579 3.410 0.695 1.00 0.52 N ATOM 778 CA SER A 47 11.009 3.138 0.794 1.00 53.11 C ATOM 779 C SER A 47 11.714 4.226 1.601 1.00 22.31 C ATOM 780 O SER A 47 12.800 4.010 2.137 1.00 4.24 O ATOM 781 CB SER A 47 11.629 3.040 -0.601 1.00 52.11 C ATOM 782 OG SER A 47 11.566 4.284 -1.275 1.00 43.45 O ATOM 0 H SER A 47 9.236 3.524 -0.259 1.00 0.52 H new ATOM 0 HA SER A 47 11.138 2.186 1.309 1.00 53.11 H new ATOM 0 HB2 SER A 47 12.668 2.719 -0.519 1.00 52.11 H new ATOM 0 HB3 SER A 47 11.106 2.281 -1.182 1.00 52.11 H new ATOM 0 HG SER A 47 10.647 4.624 -1.249 1.00 43.45 H new ATOM 788 N MET A 48 11.086 5.394 1.683 1.00 60.34 N ATOM 789 CA MET A 48 11.651 6.515 2.424 1.00 72.32 C ATOM 790 C MET A 48 11.351 6.387 3.915 1.00 24.30 C ATOM 791 O MET A 48 11.585 7.316 4.686 1.00 12.12 O ATOM 792 CB MET A 48 11.096 7.838 1.893 1.00 43.30 C ATOM 793 CG MET A 48 11.769 8.309 0.613 1.00 12.21 C ATOM 794 SD MET A 48 12.881 9.703 0.885 1.00 21.44 S ATOM 795 CE MET A 48 14.202 8.908 1.797 1.00 51.35 C ATOM 0 H MET A 48 10.185 5.589 1.245 1.00 60.34 H new ATOM 0 HA MET A 48 12.732 6.501 2.285 1.00 72.32 H new ATOM 0 HB2 MET A 48 10.027 7.728 1.712 1.00 43.30 H new ATOM 0 HB3 MET A 48 11.213 8.605 2.659 1.00 43.30 H new ATOM 0 HG2 MET A 48 12.329 7.482 0.176 1.00 12.21 H new ATOM 0 HG3 MET A 48 11.005 8.594 -0.111 1.00 12.21 H new ATOM 0 HE1 MET A 48 14.994 9.630 1.993 1.00 51.35 H new ATOM 0 HE2 MET A 48 13.814 8.529 2.742 1.00 51.35 H new ATOM 0 HE3 MET A 48 14.602 8.081 1.211 1.00 51.35 H new ATOM 805 N ASN A 49 10.832 5.229 4.312 1.00 42.44 N ATOM 806 CA ASN A 49 10.500 4.981 5.710 1.00 33.43 C ATOM 807 C ASN A 49 9.227 5.722 6.107 1.00 52.20 C ATOM 808 O ASN A 49 8.721 5.559 7.217 1.00 73.54 O ATOM 809 CB ASN A 49 11.657 5.411 6.616 1.00 64.32 C ATOM 810 CG ASN A 49 11.244 6.474 7.615 1.00 3.40 C ATOM 811 OD1 ASN A 49 11.411 6.303 8.823 1.00 41.12 O ATOM 812 ND2 ASN A 49 10.701 7.578 7.115 1.00 12.34 N ATOM 0 H ASN A 49 10.633 4.449 3.686 1.00 42.44 H new ATOM 0 HA ASN A 49 10.330 3.911 5.832 1.00 33.43 H new ATOM 0 HB2 ASN A 49 12.038 4.541 7.151 1.00 64.32 H new ATOM 0 HB3 ASN A 49 12.474 5.791 6.002 1.00 64.32 H new ATOM 0 HD21 ASN A 49 10.403 8.328 7.739 1.00 12.34 H new ATOM 0 HD22 ASN A 49 10.582 7.676 6.107 1.00 12.34 H new ATOM 819 N LYS A 50 8.713 6.536 5.190 1.00 12.25 N ATOM 820 CA LYS A 50 7.498 7.301 5.442 1.00 74.30 C ATOM 821 C LYS A 50 6.264 6.409 5.352 1.00 74.01 C ATOM 822 O LYS A 50 6.188 5.519 4.505 1.00 44.31 O ATOM 823 CB LYS A 50 7.380 8.454 4.442 1.00 63.24 C ATOM 824 CG LYS A 50 8.639 9.297 4.335 1.00 70.10 C ATOM 825 CD LYS A 50 8.669 10.092 3.040 1.00 54.53 C ATOM 826 CE LYS A 50 9.262 11.477 3.250 1.00 43.10 C ATOM 827 NZ LYS A 50 10.741 11.427 3.422 1.00 71.30 N ATOM 0 H LYS A 50 9.119 6.682 4.266 1.00 12.25 H new ATOM 0 HA LYS A 50 7.558 7.708 6.452 1.00 74.30 H new ATOM 0 HB2 LYS A 50 7.140 8.048 3.459 1.00 63.24 H new ATOM 0 HB3 LYS A 50 6.548 9.094 4.735 1.00 63.24 H new ATOM 0 HG2 LYS A 50 8.694 9.979 5.183 1.00 70.10 H new ATOM 0 HG3 LYS A 50 9.516 8.652 4.387 1.00 70.10 H new ATOM 0 HD2 LYS A 50 9.254 9.554 2.295 1.00 54.53 H new ATOM 0 HD3 LYS A 50 7.657 10.184 2.645 1.00 54.53 H new ATOM 0 HE2 LYS A 50 9.017 12.110 2.397 1.00 43.10 H new ATOM 0 HE3 LYS A 50 8.809 11.936 4.129 1.00 43.10 H new ATOM 0 HZ1 LYS A 50 11.119 12.395 3.461 1.00 71.30 H new ATOM 0 HZ2 LYS A 50 10.971 10.930 4.306 1.00 71.30 H new ATOM 0 HZ3 LYS A 50 11.167 10.921 2.619 1.00 71.30 H new ATOM 841 N THR A 51 5.297 6.653 6.232 1.00 15.31 N ATOM 842 CA THR A 51 4.067 5.872 6.253 1.00 43.33 C ATOM 843 C THR A 51 2.844 6.775 6.362 1.00 41.14 C ATOM 844 O THR A 51 2.697 7.523 7.326 1.00 12.12 O ATOM 845 CB THR A 51 4.057 4.869 7.421 1.00 30.24 C ATOM 846 OG1 THR A 51 5.391 4.430 7.702 1.00 63.41 O ATOM 847 CG2 THR A 51 3.180 3.669 7.098 1.00 10.22 C ATOM 0 H THR A 51 5.343 7.386 6.940 1.00 15.31 H new ATOM 0 HA THR A 51 4.026 5.322 5.313 1.00 43.33 H new ATOM 0 HB THR A 51 3.648 5.371 8.298 1.00 30.24 H new ATOM 0 HG1 THR A 51 5.376 3.794 8.447 1.00 63.41 H new ATOM 0 HG21 THR A 51 3.189 2.975 7.938 1.00 10.22 H new ATOM 0 HG22 THR A 51 2.159 4.003 6.915 1.00 10.22 H new ATOM 0 HG23 THR A 51 3.563 3.168 6.209 1.00 10.22 H new ATOM 855 N GLY A 52 1.967 6.699 5.365 1.00 4.10 N ATOM 856 CA GLY A 52 0.768 7.516 5.369 1.00 23.34 C ATOM 857 C GLY A 52 -0.457 6.749 4.907 1.00 14.43 C ATOM 858 O GLY A 52 -0.340 5.677 4.313 1.00 51.13 O ATOM 0 H GLY A 52 2.066 6.087 4.555 1.00 4.10 H new ATOM 0 HA2 GLY A 52 0.596 7.898 6.375 1.00 23.34 H new ATOM 0 HA3 GLY A 52 0.918 8.380 4.721 1.00 23.34 H new ATOM 862 N PHE A 53 -1.635 7.298 5.182 1.00 64.33 N ATOM 863 CA PHE A 53 -2.887 6.659 4.793 1.00 4.41 C ATOM 864 C PHE A 53 -3.197 6.921 3.323 1.00 25.22 C ATOM 865 O PHE A 53 -3.112 8.055 2.851 1.00 65.04 O ATOM 866 CB PHE A 53 -4.036 7.164 5.667 1.00 53.42 C ATOM 867 CG PHE A 53 -4.273 6.324 6.890 1.00 54.00 C ATOM 868 CD1 PHE A 53 -4.809 5.051 6.780 1.00 43.54 C ATOM 869 CD2 PHE A 53 -3.960 6.809 8.150 1.00 24.41 C ATOM 870 CE1 PHE A 53 -5.028 4.277 7.902 1.00 11.54 C ATOM 871 CE2 PHE A 53 -4.177 6.038 9.276 1.00 75.11 C ATOM 872 CZ PHE A 53 -4.712 4.771 9.153 1.00 24.31 C ATOM 0 H PHE A 53 -1.749 8.185 5.673 1.00 64.33 H new ATOM 0 HA PHE A 53 -2.777 5.584 4.937 1.00 4.41 H new ATOM 0 HB2 PHE A 53 -3.825 8.188 5.975 1.00 53.42 H new ATOM 0 HB3 PHE A 53 -4.949 7.192 5.072 1.00 53.42 H new ATOM 0 HD1 PHE A 53 -5.058 4.660 5.805 1.00 43.54 H new ATOM 0 HD2 PHE A 53 -3.542 7.800 8.253 1.00 24.41 H new ATOM 0 HE1 PHE A 53 -5.446 3.286 7.802 1.00 11.54 H new ATOM 0 HE2 PHE A 53 -3.928 6.426 10.252 1.00 75.11 H new ATOM 0 HZ PHE A 53 -4.883 4.168 10.032 1.00 24.31 H new ATOM 882 N VAL A 54 -3.557 5.863 2.602 1.00 63.12 N ATOM 883 CA VAL A 54 -3.882 5.978 1.185 1.00 44.41 C ATOM 884 C VAL A 54 -5.013 5.030 0.802 1.00 41.22 C ATOM 885 O VAL A 54 -5.197 3.969 1.398 1.00 13.52 O ATOM 886 CB VAL A 54 -2.656 5.679 0.303 1.00 3.54 C ATOM 887 CG1 VAL A 54 -1.450 6.475 0.776 1.00 2.42 C ATOM 888 CG2 VAL A 54 -2.353 4.188 0.300 1.00 4.23 C ATOM 0 H VAL A 54 -3.631 4.917 2.976 1.00 63.12 H new ATOM 0 HA VAL A 54 -4.201 7.006 1.015 1.00 44.41 H new ATOM 0 HB VAL A 54 -2.883 5.983 -0.719 1.00 3.54 H new ATOM 0 HG11 VAL A 54 -0.594 6.250 0.140 1.00 2.42 H new ATOM 0 HG12 VAL A 54 -1.673 7.541 0.721 1.00 2.42 H new ATOM 0 HG13 VAL A 54 -1.218 6.206 1.806 1.00 2.42 H new ATOM 0 HG21 VAL A 54 -1.484 3.995 -0.328 1.00 4.23 H new ATOM 0 HG22 VAL A 54 -2.146 3.857 1.318 1.00 4.23 H new ATOM 0 HG23 VAL A 54 -3.212 3.643 -0.091 1.00 4.23 H new ATOM 898 N PRO A 55 -5.792 5.420 -0.218 1.00 42.34 N ATOM 899 CA PRO A 55 -6.918 4.619 -0.705 1.00 61.24 C ATOM 900 C PRO A 55 -6.463 3.347 -1.411 1.00 32.44 C ATOM 901 O PRO A 55 -5.351 3.279 -1.935 1.00 74.13 O ATOM 902 CB PRO A 55 -7.619 5.557 -1.693 1.00 31.35 C ATOM 903 CG PRO A 55 -6.553 6.491 -2.149 1.00 44.11 C ATOM 904 CD PRO A 55 -5.631 6.672 -0.976 1.00 75.14 C ATOM 0 HA PRO A 55 -7.558 4.278 0.109 1.00 61.24 H new ATOM 0 HB2 PRO A 55 -8.045 5.004 -2.530 1.00 31.35 H new ATOM 0 HB3 PRO A 55 -8.439 6.094 -1.216 1.00 31.35 H new ATOM 0 HG2 PRO A 55 -6.018 6.083 -3.007 1.00 44.11 H new ATOM 0 HG3 PRO A 55 -6.978 7.445 -2.462 1.00 44.11 H new ATOM 0 HD2 PRO A 55 -4.599 6.818 -1.295 1.00 75.14 H new ATOM 0 HD3 PRO A 55 -5.906 7.541 -0.379 1.00 75.14 H new ATOM 912 N SER A 56 -7.330 2.338 -1.421 1.00 51.45 N ATOM 913 CA SER A 56 -7.015 1.066 -2.060 1.00 74.33 C ATOM 914 C SER A 56 -7.352 1.107 -3.547 1.00 64.40 C ATOM 915 O SER A 56 -7.624 0.076 -4.161 1.00 64.12 O ATOM 916 CB SER A 56 -7.780 -0.072 -1.383 1.00 34.45 C ATOM 917 OG SER A 56 -9.179 0.095 -1.533 1.00 25.21 O ATOM 0 H SER A 56 -8.255 2.378 -0.994 1.00 51.45 H new ATOM 0 HA SER A 56 -5.945 0.889 -1.953 1.00 74.33 H new ATOM 0 HB2 SER A 56 -7.476 -1.026 -1.814 1.00 34.45 H new ATOM 0 HB3 SER A 56 -7.526 -0.106 -0.324 1.00 34.45 H new ATOM 0 HG SER A 56 -9.646 -0.646 -1.093 1.00 25.21 H new ATOM 923 N ASN A 57 -7.332 2.306 -4.120 1.00 72.05 N ATOM 924 CA ASN A 57 -7.637 2.483 -5.535 1.00 5.31 C ATOM 925 C ASN A 57 -6.357 2.538 -6.364 1.00 1.44 C ATOM 926 O ASN A 57 -6.349 2.167 -7.538 1.00 32.23 O ATOM 927 CB ASN A 57 -8.450 3.761 -5.748 1.00 14.11 C ATOM 928 CG ASN A 57 -9.254 3.728 -7.033 1.00 61.32 C ATOM 929 OD1 ASN A 57 -9.746 2.677 -7.444 1.00 61.32 O ATOM 930 ND2 ASN A 57 -9.390 4.882 -7.675 1.00 64.43 N ATOM 0 H ASN A 57 -7.108 3.170 -3.626 1.00 72.05 H new ATOM 0 HA ASN A 57 -8.226 1.627 -5.863 1.00 5.31 H new ATOM 0 HB2 ASN A 57 -9.125 3.904 -4.904 1.00 14.11 H new ATOM 0 HB3 ASN A 57 -7.777 4.618 -5.766 1.00 14.11 H new ATOM 0 HD21 ASN A 57 -9.920 4.922 -8.546 1.00 64.43 H new ATOM 0 HD22 ASN A 57 -8.965 5.729 -7.297 1.00 64.43 H new ATOM 937 N TYR A 58 -5.277 3.002 -5.745 1.00 1.22 N ATOM 938 CA TYR A 58 -3.992 3.108 -6.425 1.00 24.31 C ATOM 939 C TYR A 58 -3.111 1.901 -6.115 1.00 13.21 C ATOM 940 O TYR A 58 -2.353 1.436 -6.965 1.00 45.40 O ATOM 941 CB TYR A 58 -3.277 4.395 -6.014 1.00 71.43 C ATOM 942 CG TYR A 58 -4.022 5.652 -6.402 1.00 34.20 C ATOM 943 CD1 TYR A 58 -5.166 6.046 -5.718 1.00 4.32 C ATOM 944 CD2 TYR A 58 -3.582 6.447 -7.453 1.00 72.14 C ATOM 945 CE1 TYR A 58 -5.850 7.193 -6.070 1.00 1.31 C ATOM 946 CE2 TYR A 58 -4.259 7.597 -7.811 1.00 52.11 C ATOM 947 CZ TYR A 58 -5.393 7.966 -7.117 1.00 5.52 C ATOM 948 OH TYR A 58 -6.071 9.110 -7.469 1.00 65.10 O ATOM 0 H TYR A 58 -5.266 3.311 -4.773 1.00 1.22 H new ATOM 0 HA TYR A 58 -4.179 3.133 -7.499 1.00 24.31 H new ATOM 0 HB2 TYR A 58 -3.129 4.389 -4.934 1.00 71.43 H new ATOM 0 HB3 TYR A 58 -2.288 4.413 -6.471 1.00 71.43 H new ATOM 0 HD1 TYR A 58 -5.526 5.444 -4.897 1.00 4.32 H new ATOM 0 HD2 TYR A 58 -2.695 6.161 -8.000 1.00 72.14 H new ATOM 0 HE1 TYR A 58 -6.738 7.483 -5.528 1.00 1.31 H new ATOM 0 HE2 TYR A 58 -3.902 8.204 -8.630 1.00 52.11 H new ATOM 0 HH TYR A 58 -5.618 9.539 -8.225 1.00 65.10 H new ATOM 958 N VAL A 59 -3.216 1.400 -4.888 1.00 64.32 N ATOM 959 CA VAL A 59 -2.432 0.247 -4.463 1.00 0.52 C ATOM 960 C VAL A 59 -3.324 -0.963 -4.212 1.00 51.10 C ATOM 961 O VAL A 59 -4.541 -0.833 -4.088 1.00 32.43 O ATOM 962 CB VAL A 59 -1.630 0.554 -3.184 1.00 44.03 C ATOM 963 CG1 VAL A 59 -1.022 1.947 -3.257 1.00 33.43 C ATOM 964 CG2 VAL A 59 -2.514 0.413 -1.955 1.00 32.43 C ATOM 0 H VAL A 59 -3.837 1.775 -4.171 1.00 64.32 H new ATOM 0 HA VAL A 59 -1.738 0.021 -5.273 1.00 0.52 H new ATOM 0 HB VAL A 59 -0.817 -0.168 -3.103 1.00 44.03 H new ATOM 0 HG11 VAL A 59 -0.459 2.147 -2.345 1.00 33.43 H new ATOM 0 HG12 VAL A 59 -0.354 2.008 -4.116 1.00 33.43 H new ATOM 0 HG13 VAL A 59 -1.817 2.686 -3.362 1.00 33.43 H new ATOM 0 HG21 VAL A 59 -1.931 0.633 -1.061 1.00 32.43 H new ATOM 0 HG22 VAL A 59 -3.349 1.110 -2.025 1.00 32.43 H new ATOM 0 HG23 VAL A 59 -2.896 -0.606 -1.897 1.00 32.43 H new ATOM 974 N GLU A 60 -2.709 -2.140 -4.137 1.00 63.14 N ATOM 975 CA GLU A 60 -3.449 -3.373 -3.901 1.00 25.22 C ATOM 976 C GLU A 60 -2.509 -4.501 -3.486 1.00 13.15 C ATOM 977 O GLU A 60 -1.363 -4.563 -3.930 1.00 1.42 O ATOM 978 CB GLU A 60 -4.224 -3.779 -5.158 1.00 32.02 C ATOM 979 CG GLU A 60 -5.469 -4.600 -4.867 1.00 1.24 C ATOM 980 CD GLU A 60 -6.658 -4.173 -5.705 1.00 74.11 C ATOM 981 OE1 GLU A 60 -6.791 -4.669 -6.842 1.00 43.42 O ATOM 982 OE2 GLU A 60 -7.456 -3.342 -5.223 1.00 30.31 O ATOM 0 H GLU A 60 -1.702 -2.265 -4.236 1.00 63.14 H new ATOM 0 HA GLU A 60 -4.154 -3.192 -3.090 1.00 25.22 H new ATOM 0 HB2 GLU A 60 -4.511 -2.880 -5.704 1.00 32.02 H new ATOM 0 HB3 GLU A 60 -3.566 -4.352 -5.811 1.00 32.02 H new ATOM 0 HG2 GLU A 60 -5.257 -5.653 -5.053 1.00 1.24 H new ATOM 0 HG3 GLU A 60 -5.722 -4.508 -3.811 1.00 1.24 H new ATOM 990 N ARG A 61 -3.002 -5.388 -2.628 1.00 4.44 N ATOM 991 CA ARG A 61 -2.206 -6.513 -2.149 1.00 53.14 C ATOM 992 C ARG A 61 -1.578 -7.270 -3.316 1.00 52.34 C ATOM 993 O ARG A 61 -2.182 -7.406 -4.380 1.00 54.21 O ATOM 994 CB ARG A 61 -3.072 -7.462 -1.319 1.00 72.13 C ATOM 995 CG ARG A 61 -3.706 -6.802 -0.105 1.00 10.11 C ATOM 996 CD ARG A 61 -5.014 -7.478 0.276 1.00 4.13 C ATOM 997 NE ARG A 61 -5.068 -7.804 1.698 1.00 34.41 N ATOM 998 CZ ARG A 61 -5.891 -8.710 2.215 1.00 62.20 C ATOM 999 NH1 ARG A 61 -6.725 -9.377 1.428 1.00 12.52 N ATOM 1000 NH2 ARG A 61 -5.881 -8.950 3.520 1.00 51.52 N ATOM 0 H ARG A 61 -3.949 -5.350 -2.250 1.00 4.44 H new ATOM 0 HA ARG A 61 -1.407 -6.119 -1.521 1.00 53.14 H new ATOM 0 HB2 ARG A 61 -3.859 -7.870 -1.953 1.00 72.13 H new ATOM 0 HB3 ARG A 61 -2.461 -8.302 -0.988 1.00 72.13 H new ATOM 0 HG2 ARG A 61 -3.014 -6.844 0.736 1.00 10.11 H new ATOM 0 HG3 ARG A 61 -3.888 -5.748 -0.316 1.00 10.11 H new ATOM 0 HD2 ARG A 61 -5.848 -6.823 0.022 1.00 4.13 H new ATOM 0 HD3 ARG A 61 -5.135 -8.389 -0.310 1.00 4.13 H new ATOM 0 HE ARG A 61 -4.439 -7.309 2.330 1.00 34.41 H new ATOM 0 HH11 ARG A 61 -6.735 -9.195 0.424 1.00 12.52 H new ATOM 0 HH12 ARG A 61 -7.356 -10.072 1.826 1.00 12.52 H new ATOM 0 HH21 ARG A 61 -5.241 -8.439 4.128 1.00 51.52 H new ATOM 0 HH22 ARG A 61 -6.513 -9.646 3.915 1.00 51.52 H new ATOM 1014 N LYS A 62 -0.360 -7.760 -3.109 1.00 40.42 N ATOM 1015 CA LYS A 62 0.352 -8.504 -4.142 1.00 75.10 C ATOM 1016 C LYS A 62 -0.064 -9.970 -4.138 1.00 5.25 C ATOM 1017 O LYS A 62 -0.396 -10.529 -3.094 1.00 13.53 O ATOM 1018 CB LYS A 62 1.863 -8.389 -3.931 1.00 41.22 C ATOM 1019 CG LYS A 62 2.681 -9.005 -5.053 1.00 1.41 C ATOM 1020 CD LYS A 62 3.212 -7.945 -6.003 1.00 72.24 C ATOM 1021 CE LYS A 62 3.017 -8.350 -7.456 1.00 42.11 C ATOM 1022 NZ LYS A 62 1.733 -7.835 -8.008 1.00 10.34 N ATOM 0 H LYS A 62 0.155 -7.655 -2.235 1.00 40.42 H new ATOM 0 HA LYS A 62 0.094 -8.074 -5.110 1.00 75.10 H new ATOM 0 HB2 LYS A 62 2.129 -7.336 -3.834 1.00 41.22 H new ATOM 0 HB3 LYS A 62 2.128 -8.873 -2.991 1.00 41.22 H new ATOM 0 HG2 LYS A 62 3.514 -9.567 -4.631 1.00 1.41 H new ATOM 0 HG3 LYS A 62 2.066 -9.715 -5.606 1.00 1.41 H new ATOM 0 HD2 LYS A 62 2.703 -7.000 -5.816 1.00 72.24 H new ATOM 0 HD3 LYS A 62 4.272 -7.780 -5.809 1.00 72.24 H new ATOM 0 HE2 LYS A 62 3.847 -7.971 -8.053 1.00 42.11 H new ATOM 0 HE3 LYS A 62 3.037 -9.437 -7.536 1.00 42.11 H new ATOM 0 HZ1 LYS A 62 1.392 -8.477 -8.751 1.00 10.34 H new ATOM 0 HZ2 LYS A 62 1.026 -7.779 -7.248 1.00 10.34 H new ATOM 0 HZ3 LYS A 62 1.883 -6.888 -8.411 1.00 10.34 H new ATOM 1036 N ASN A 63 -0.041 -10.590 -5.315 1.00 15.23 N ATOM 1037 CA ASN A 63 -0.415 -11.994 -5.446 1.00 44.13 C ATOM 1038 C ASN A 63 0.692 -12.789 -6.134 1.00 15.41 C ATOM 1039 O ASN A 63 0.430 -13.585 -7.034 1.00 4.11 O ATOM 1040 CB ASN A 63 -1.718 -12.124 -6.237 1.00 64.12 C ATOM 1041 CG ASN A 63 -2.944 -12.001 -5.354 1.00 31.30 C ATOM 1042 OD1 ASN A 63 -3.472 -12.999 -4.863 1.00 71.22 O ATOM 1043 ND2 ASN A 63 -3.404 -10.772 -5.149 1.00 13.44 N ATOM 0 H ASN A 63 0.232 -10.143 -6.190 1.00 15.23 H new ATOM 0 HA ASN A 63 -0.563 -12.401 -4.446 1.00 44.13 H new ATOM 0 HB2 ASN A 63 -1.750 -11.354 -7.008 1.00 64.12 H new ATOM 0 HB3 ASN A 63 -1.736 -13.087 -6.747 1.00 64.12 H new ATOM 0 HD21 ASN A 63 -4.227 -10.626 -4.564 1.00 13.44 H new ATOM 0 HD22 ASN A 63 -2.934 -9.974 -5.576 1.00 13.44 H new ATOM 1050 N SER A 64 1.929 -12.567 -5.701 1.00 74.53 N ATOM 1051 CA SER A 64 3.076 -13.259 -6.276 1.00 73.24 C ATOM 1052 C SER A 64 2.930 -14.769 -6.124 1.00 0.45 C ATOM 1053 O SER A 64 3.086 -15.520 -7.087 1.00 74.21 O ATOM 1054 CB SER A 64 4.370 -12.790 -5.607 1.00 70.22 C ATOM 1055 OG SER A 64 5.495 -13.459 -6.148 1.00 62.04 O ATOM 0 H SER A 64 2.162 -11.913 -4.954 1.00 74.53 H new ATOM 0 HA SER A 64 3.118 -13.020 -7.339 1.00 73.24 H new ATOM 0 HB2 SER A 64 4.483 -11.714 -5.741 1.00 70.22 H new ATOM 0 HB3 SER A 64 4.315 -12.973 -4.534 1.00 70.22 H new ATOM 0 HG SER A 64 6.309 -13.141 -5.705 1.00 62.04 H new ATOM 1061 N ALA A 65 2.631 -15.209 -4.906 1.00 53.11 N ATOM 1062 CA ALA A 65 2.462 -16.630 -4.626 1.00 41.42 C ATOM 1063 C ALA A 65 1.018 -16.948 -4.253 1.00 42.44 C ATOM 1064 O ALA A 65 0.088 -16.290 -4.719 1.00 13.24 O ATOM 1065 CB ALA A 65 3.405 -17.064 -3.513 1.00 1.34 C ATOM 0 H ALA A 65 2.501 -14.602 -4.097 1.00 53.11 H new ATOM 0 HA ALA A 65 2.706 -17.185 -5.532 1.00 41.42 H new ATOM 0 HB1 ALA A 65 3.268 -18.127 -3.314 1.00 1.34 H new ATOM 0 HB2 ALA A 65 4.436 -16.881 -3.817 1.00 1.34 H new ATOM 0 HB3 ALA A 65 3.187 -16.495 -2.609 1.00 1.34 H new ATOM 1071 N ARG A 66 0.839 -17.961 -3.413 1.00 2.24 N ATOM 1072 CA ARG A 66 -0.493 -18.369 -2.980 1.00 55.51 C ATOM 1073 C ARG A 66 -1.127 -17.299 -2.094 1.00 41.41 C ATOM 1074 O ARG A 66 -0.453 -16.684 -1.269 1.00 55.25 O ATOM 1075 CB ARG A 66 -0.423 -19.696 -2.224 1.00 13.32 C ATOM 1076 CG ARG A 66 -0.563 -20.916 -3.120 1.00 2.31 C ATOM 1077 CD ARG A 66 -0.620 -22.200 -2.308 1.00 15.41 C ATOM 1078 NE ARG A 66 -0.864 -23.369 -3.149 1.00 70.11 N ATOM 1079 CZ ARG A 66 -0.725 -24.620 -2.727 1.00 21.32 C ATOM 1080 NH1 ARG A 66 -0.347 -24.864 -1.479 1.00 42.52 N ATOM 1081 NH2 ARG A 66 -0.966 -25.632 -3.552 1.00 54.22 N ATOM 0 H ARG A 66 1.599 -18.515 -3.018 1.00 2.24 H new ATOM 0 HA ARG A 66 -1.113 -18.497 -3.867 1.00 55.51 H new ATOM 0 HB2 ARG A 66 0.528 -19.752 -1.694 1.00 13.32 H new ATOM 0 HB3 ARG A 66 -1.210 -19.717 -1.470 1.00 13.32 H new ATOM 0 HG2 ARG A 66 -1.467 -20.825 -3.722 1.00 2.31 H new ATOM 0 HG3 ARG A 66 0.278 -20.959 -3.812 1.00 2.31 H new ATOM 0 HD2 ARG A 66 0.319 -22.330 -1.770 1.00 15.41 H new ATOM 0 HD3 ARG A 66 -1.408 -22.121 -1.560 1.00 15.41 H new ATOM 0 HE ARG A 66 -1.157 -23.216 -4.114 1.00 70.11 H new ATOM 0 HH11 ARG A 66 -0.162 -24.090 -0.841 1.00 42.52 H new ATOM 0 HH12 ARG A 66 -0.241 -25.826 -1.157 1.00 42.52 H new ATOM 0 HH21 ARG A 66 -1.258 -25.449 -4.512 1.00 54.22 H new ATOM 0 HH22 ARG A 66 -0.859 -26.592 -3.226 1.00 54.22 H new ATOM 1095 N ALA A 67 -2.426 -17.085 -2.273 1.00 11.32 N ATOM 1096 CA ALA A 67 -3.151 -16.092 -1.489 1.00 44.12 C ATOM 1097 C ALA A 67 -3.717 -16.706 -0.213 1.00 2.11 C ATOM 1098 O ALA A 67 -4.091 -15.993 0.717 1.00 70.02 O ATOM 1099 CB ALA A 67 -4.266 -15.476 -2.321 1.00 12.02 C ATOM 0 H ALA A 67 -2.998 -17.585 -2.953 1.00 11.32 H new ATOM 0 HA ALA A 67 -2.450 -15.308 -1.203 1.00 44.12 H new ATOM 0 HB1 ALA A 67 -4.799 -14.736 -1.724 1.00 12.02 H new ATOM 0 HB2 ALA A 67 -3.840 -14.993 -3.200 1.00 12.02 H new ATOM 0 HB3 ALA A 67 -4.959 -16.256 -2.636 1.00 12.02 H new ATOM 1105 N ALA A 68 -3.778 -18.033 -0.178 1.00 11.12 N ATOM 1106 CA ALA A 68 -4.299 -18.743 0.984 1.00 54.41 C ATOM 1107 C ALA A 68 -3.166 -19.326 1.823 1.00 73.43 C ATOM 1108 O ALA A 68 -3.352 -20.315 2.532 1.00 2.20 O ATOM 1109 CB ALA A 68 -5.255 -19.842 0.548 1.00 45.12 C ATOM 0 H ALA A 68 -3.473 -18.638 -0.941 1.00 11.12 H new ATOM 0 HA ALA A 68 -4.844 -18.029 1.601 1.00 54.41 H new ATOM 0 HB1 ALA A 68 -5.635 -20.363 1.427 1.00 45.12 H new ATOM 0 HB2 ALA A 68 -6.087 -19.403 -0.002 1.00 45.12 H new ATOM 0 HB3 ALA A 68 -4.729 -20.549 -0.093 1.00 45.12 H new ATOM 1115 N ALA A 69 -1.992 -18.708 1.737 1.00 33.21 N ATOM 1116 CA ALA A 69 -0.831 -19.166 2.489 1.00 61.15 C ATOM 1117 C ALA A 69 -1.084 -19.088 3.991 1.00 21.21 C ATOM 1118 O ALA A 69 -0.708 -18.116 4.644 1.00 31.42 O ATOM 1119 CB ALA A 69 0.395 -18.346 2.116 1.00 10.21 C ATOM 0 H ALA A 69 -1.821 -17.889 1.154 1.00 33.21 H new ATOM 0 HA ALA A 69 -0.650 -20.209 2.231 1.00 61.15 H new ATOM 0 HB1 ALA A 69 1.255 -18.698 2.685 1.00 10.21 H new ATOM 0 HB2 ALA A 69 0.595 -18.455 1.050 1.00 10.21 H new ATOM 0 HB3 ALA A 69 0.214 -17.296 2.345 1.00 10.21 H new ATOM 1125 N ASN A 70 -1.725 -20.120 4.532 1.00 64.12 N ATOM 1126 CA ASN A 70 -2.029 -20.168 5.958 1.00 64.55 C ATOM 1127 C ASN A 70 -1.364 -21.374 6.615 1.00 71.03 C ATOM 1128 O ASN A 70 -1.392 -22.481 6.078 1.00 22.11 O ATOM 1129 CB ASN A 70 -3.542 -20.225 6.175 1.00 60.31 C ATOM 1130 CG ASN A 70 -4.300 -19.346 5.199 1.00 30.22 C ATOM 1131 OD1 ASN A 70 -4.130 -18.127 5.183 1.00 34.24 O ATOM 1132 ND2 ASN A 70 -5.143 -19.963 4.377 1.00 14.25 N ATOM 0 H ASN A 70 -2.043 -20.933 4.005 1.00 64.12 H new ATOM 0 HA ASN A 70 -1.636 -19.262 6.420 1.00 64.55 H new ATOM 0 HB2 ASN A 70 -3.882 -21.255 6.072 1.00 60.31 H new ATOM 0 HB3 ASN A 70 -3.772 -19.914 7.194 1.00 60.31 H new ATOM 0 HD21 ASN A 70 -5.680 -19.423 3.698 1.00 14.25 H new ATOM 0 HD22 ASN A 70 -5.253 -20.976 4.425 1.00 14.25 H new ATOM 1139 N SER A 71 -0.766 -21.149 7.781 1.00 31.12 N ATOM 1140 CA SER A 71 -0.091 -22.216 8.512 1.00 65.45 C ATOM 1141 C SER A 71 -1.088 -23.022 9.339 1.00 43.31 C ATOM 1142 O SER A 71 -2.222 -22.595 9.556 1.00 42.43 O ATOM 1143 CB SER A 71 0.992 -21.633 9.422 1.00 63.34 C ATOM 1144 OG SER A 71 2.286 -21.936 8.932 1.00 12.53 O ATOM 0 H SER A 71 -0.735 -20.238 8.239 1.00 31.12 H new ATOM 0 HA SER A 71 0.375 -22.883 7.786 1.00 65.45 H new ATOM 0 HB2 SER A 71 0.870 -20.552 9.492 1.00 63.34 H new ATOM 0 HB3 SER A 71 0.878 -22.032 10.430 1.00 63.34 H new ATOM 0 HG SER A 71 2.961 -21.551 9.530 1.00 12.53 H new ATOM 1150 N SER A 72 -0.654 -24.192 9.799 1.00 35.34 N ATOM 1151 CA SER A 72 -1.508 -25.061 10.600 1.00 33.42 C ATOM 1152 C SER A 72 -2.797 -25.393 9.854 1.00 14.24 C ATOM 1153 O SER A 72 -3.803 -24.700 9.995 1.00 64.23 O ATOM 1154 CB SER A 72 -1.837 -24.397 11.939 1.00 51.42 C ATOM 1155 OG SER A 72 -0.655 -23.998 12.613 1.00 72.40 O ATOM 0 H SER A 72 0.283 -24.559 9.631 1.00 35.34 H new ATOM 0 HA SER A 72 -0.967 -25.989 10.786 1.00 33.42 H new ATOM 0 HB2 SER A 72 -2.475 -23.529 11.771 1.00 51.42 H new ATOM 0 HB3 SER A 72 -2.400 -25.090 12.564 1.00 51.42 H new ATOM 0 HG SER A 72 -0.891 -23.575 13.465 1.00 72.40 H new TER 1161 SER A 72