USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot -100:sc= 1.21 USER MOD Set 1.2: A 26 SER OG : rot 37:sc= 0.391 USER MOD Set 1.3: A 48 THR OG1 : rot -122:sc= -0.362 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00927 (180deg=-0.176) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0406 (180deg=-0.0938) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 141:sc= 0.361 (180deg=-0.448) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.131 F(o=-1.2,f=-0.13) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00732 X(o=-0.0073,f=-0.0073) USER MOD Single : A 34 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.3) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 1.92 (180deg=0.372) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.773 K(o=0.77,f=-6.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.00018) USER MOD Single : A 55 TYR OH : rot 150:sc= 0 USER MOD Single : A 56 THR OG1 : rot -79:sc= 0.528 USER MOD Single : A 62 GLN : amide:sc= 0.0876 X(o=0.088,f=-0.13) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 THR OG1 : rot 5:sc= 0.619 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -143:sc= 0.246 (180deg=-0.371) USER MOD Single : A 72 THR OG1 : rot 141:sc= -0.0442 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.676 -6.964 4.047 1.00 53.41 N ATOM 2 CA MET A 1 -21.472 -5.819 3.126 1.00 14.31 C ATOM 3 C MET A 1 -20.015 -5.332 3.224 1.00 65.51 C ATOM 4 O MET A 1 -19.357 -5.588 4.247 1.00 61.10 O ATOM 5 CB MET A 1 -22.455 -4.666 3.479 1.00 32.21 C ATOM 6 CG MET A 1 -23.940 -5.058 3.449 1.00 73.33 C ATOM 7 SD MET A 1 -24.482 -5.668 1.841 1.00 1.42 S ATOM 8 CE MET A 1 -24.313 -4.210 0.811 1.00 64.22 C ATOM 0 H1 MET A 1 -22.161 -7.733 3.542 1.00 53.41 H new ATOM 0 H2 MET A 1 -20.754 -7.302 4.390 1.00 53.41 H new ATOM 0 H3 MET A 1 -22.256 -6.661 4.855 1.00 53.41 H new ATOM 0 HA MET A 1 -21.671 -6.140 2.103 1.00 14.31 H new ATOM 0 HB2 MET A 1 -22.212 -4.291 4.473 1.00 32.21 H new ATOM 0 HB3 MET A 1 -22.296 -3.844 2.781 1.00 32.21 H new ATOM 0 HG2 MET A 1 -24.122 -5.825 4.201 1.00 73.33 H new ATOM 0 HG3 MET A 1 -24.543 -4.193 3.724 1.00 73.33 H new ATOM 0 HE1 MET A 1 -24.793 -4.387 -0.151 1.00 64.22 H new ATOM 0 HE2 MET A 1 -24.787 -3.360 1.303 1.00 64.22 H new ATOM 0 HE3 MET A 1 -23.256 -3.995 0.655 1.00 64.22 H new ATOM 20 N PRO A 2 -19.471 -4.639 2.160 1.00 54.42 N ATOM 21 CA PRO A 2 -18.162 -3.954 2.245 1.00 43.43 C ATOM 22 C PRO A 2 -18.129 -2.951 3.412 1.00 51.44 C ATOM 23 O PRO A 2 -18.587 -1.815 3.288 1.00 34.11 O ATOM 24 CB PRO A 2 -18.015 -3.264 0.863 1.00 41.24 C ATOM 25 CG PRO A 2 -18.888 -4.067 -0.061 1.00 24.03 C ATOM 26 CD PRO A 2 -20.060 -4.515 0.789 1.00 51.20 C ATOM 0 HA PRO A 2 -17.336 -4.635 2.449 1.00 43.43 H new ATOM 0 HB2 PRO A 2 -18.335 -2.223 0.904 1.00 41.24 H new ATOM 0 HB3 PRO A 2 -16.978 -3.266 0.528 1.00 41.24 H new ATOM 0 HG2 PRO A 2 -19.222 -3.467 -0.907 1.00 24.03 H new ATOM 0 HG3 PRO A 2 -18.348 -4.921 -0.469 1.00 24.03 H new ATOM 0 HD2 PRO A 2 -20.873 -3.789 0.766 1.00 51.20 H new ATOM 0 HD3 PRO A 2 -20.469 -5.463 0.441 1.00 51.20 H new ATOM 34 N SER A 3 -17.655 -3.427 4.572 1.00 4.15 N ATOM 35 CA SER A 3 -17.566 -2.624 5.799 1.00 44.54 C ATOM 36 C SER A 3 -16.414 -1.611 5.684 1.00 1.44 C ATOM 37 O SER A 3 -15.483 -1.806 4.879 1.00 1.41 O ATOM 38 CB SER A 3 -17.369 -3.560 7.018 1.00 22.12 C ATOM 39 OG SER A 3 -18.410 -4.528 7.094 1.00 53.25 O ATOM 0 H SER A 3 -17.321 -4.384 4.686 1.00 4.15 H new ATOM 0 HA SER A 3 -18.491 -2.065 5.939 1.00 44.54 H new ATOM 0 HB2 SER A 3 -16.405 -4.063 6.942 1.00 22.12 H new ATOM 0 HB3 SER A 3 -17.349 -2.970 7.934 1.00 22.12 H new ATOM 0 HG SER A 3 -18.262 -5.107 7.870 1.00 53.25 H new ATOM 45 N GLU A 4 -16.473 -0.540 6.498 1.00 52.33 N ATOM 46 CA GLU A 4 -15.449 0.516 6.502 1.00 22.10 C ATOM 47 C GLU A 4 -14.082 -0.018 6.959 1.00 10.10 C ATOM 48 O GLU A 4 -13.067 0.614 6.706 1.00 32.54 O ATOM 49 CB GLU A 4 -15.873 1.722 7.374 1.00 52.15 C ATOM 50 CG GLU A 4 -17.135 2.458 6.880 1.00 31.01 C ATOM 51 CD GLU A 4 -17.366 3.788 7.613 1.00 52.22 C ATOM 52 OE1 GLU A 4 -17.943 3.778 8.721 1.00 40.53 O ATOM 53 OE2 GLU A 4 -16.950 4.847 7.096 1.00 50.22 O ATOM 0 H GLU A 4 -17.228 -0.385 7.166 1.00 52.33 H new ATOM 0 HA GLU A 4 -15.352 0.859 5.472 1.00 22.10 H new ATOM 0 HB2 GLU A 4 -16.046 1.374 8.392 1.00 52.15 H new ATOM 0 HB3 GLU A 4 -15.047 2.432 7.416 1.00 52.15 H new ATOM 0 HG2 GLU A 4 -17.046 2.647 5.810 1.00 31.01 H new ATOM 0 HG3 GLU A 4 -18.004 1.815 7.018 1.00 31.01 H new ATOM 60 N GLU A 5 -14.072 -1.164 7.662 1.00 74.41 N ATOM 61 CA GLU A 5 -12.834 -1.865 8.032 1.00 71.24 C ATOM 62 C GLU A 5 -12.421 -2.885 6.940 1.00 71.15 C ATOM 63 O GLU A 5 -11.231 -3.096 6.699 1.00 31.11 O ATOM 64 CB GLU A 5 -13.007 -2.572 9.403 1.00 40.15 C ATOM 65 CG GLU A 5 -11.705 -3.186 9.981 1.00 41.54 C ATOM 66 CD GLU A 5 -10.635 -2.136 10.368 1.00 45.43 C ATOM 67 OE1 GLU A 5 -10.423 -1.896 11.575 1.00 11.23 O ATOM 68 OE2 GLU A 5 -10.007 -1.535 9.466 1.00 33.41 O ATOM 0 H GLU A 5 -14.920 -1.628 7.988 1.00 74.41 H new ATOM 0 HA GLU A 5 -12.037 -1.127 8.116 1.00 71.24 H new ATOM 0 HB2 GLU A 5 -13.404 -1.853 10.120 1.00 40.15 H new ATOM 0 HB3 GLU A 5 -13.751 -3.362 9.298 1.00 40.15 H new ATOM 0 HG2 GLU A 5 -11.954 -3.778 10.861 1.00 41.54 H new ATOM 0 HG3 GLU A 5 -11.280 -3.870 9.246 1.00 41.54 H new ATOM 75 N GLU A 6 -13.425 -3.509 6.284 1.00 22.13 N ATOM 76 CA GLU A 6 -13.208 -4.592 5.291 1.00 30.51 C ATOM 77 C GLU A 6 -12.497 -4.063 4.024 1.00 11.24 C ATOM 78 O GLU A 6 -11.692 -4.774 3.392 1.00 4.25 O ATOM 79 CB GLU A 6 -14.564 -5.249 4.920 1.00 14.33 C ATOM 80 CG GLU A 6 -14.455 -6.461 3.973 1.00 41.14 C ATOM 81 CD GLU A 6 -15.804 -7.124 3.671 1.00 64.50 C ATOM 82 OE1 GLU A 6 -16.228 -8.008 4.442 1.00 33.51 O ATOM 83 OE2 GLU A 6 -16.437 -6.781 2.654 1.00 53.01 O ATOM 0 H GLU A 6 -14.408 -3.278 6.426 1.00 22.13 H new ATOM 0 HA GLU A 6 -12.559 -5.342 5.743 1.00 30.51 H new ATOM 0 HB2 GLU A 6 -15.062 -5.565 5.837 1.00 14.33 H new ATOM 0 HB3 GLU A 6 -15.201 -4.497 4.454 1.00 14.33 H new ATOM 0 HG2 GLU A 6 -13.999 -6.140 3.036 1.00 41.14 H new ATOM 0 HG3 GLU A 6 -13.787 -7.200 4.416 1.00 41.14 H new ATOM 90 N GLU A 7 -12.792 -2.795 3.676 1.00 35.02 N ATOM 91 CA GLU A 7 -12.153 -2.115 2.542 1.00 33.24 C ATOM 92 C GLU A 7 -10.620 -2.049 2.734 1.00 63.43 C ATOM 93 O GLU A 7 -9.896 -2.294 1.788 1.00 34.24 O ATOM 94 CB GLU A 7 -12.766 -0.714 2.332 1.00 54.43 C ATOM 95 CG GLU A 7 -12.645 0.230 3.533 1.00 43.30 C ATOM 96 CD GLU A 7 -13.388 1.555 3.343 1.00 42.12 C ATOM 97 OE1 GLU A 7 -12.753 2.579 3.049 1.00 1.04 O ATOM 98 OE2 GLU A 7 -14.631 1.568 3.462 1.00 64.11 O ATOM 0 H GLU A 7 -13.475 -2.221 4.171 1.00 35.02 H new ATOM 0 HA GLU A 7 -12.342 -2.694 1.638 1.00 33.24 H new ATOM 0 HB2 GLU A 7 -12.285 -0.248 1.472 1.00 54.43 H new ATOM 0 HB3 GLU A 7 -13.821 -0.829 2.083 1.00 54.43 H new ATOM 0 HG2 GLU A 7 -13.033 -0.271 4.420 1.00 43.30 H new ATOM 0 HG3 GLU A 7 -11.591 0.437 3.718 1.00 43.30 H new ATOM 105 N LYS A 8 -10.158 -1.834 4.004 1.00 41.15 N ATOM 106 CA LYS A 8 -8.705 -1.789 4.361 1.00 11.31 C ATOM 107 C LYS A 8 -7.980 -3.070 3.903 1.00 3.02 C ATOM 108 O LYS A 8 -6.857 -3.008 3.423 1.00 22.01 O ATOM 109 CB LYS A 8 -8.497 -1.636 5.902 1.00 32.23 C ATOM 110 CG LYS A 8 -8.621 -0.217 6.491 1.00 51.25 C ATOM 111 CD LYS A 8 -9.928 0.510 6.119 1.00 73.55 C ATOM 112 CE LYS A 8 -10.209 1.708 7.032 1.00 11.43 C ATOM 113 NZ LYS A 8 -10.651 1.267 8.381 1.00 42.23 N ATOM 0 H LYS A 8 -10.777 -1.688 4.802 1.00 41.15 H new ATOM 0 HA LYS A 8 -8.288 -0.922 3.849 1.00 11.31 H new ATOM 0 HB2 LYS A 8 -9.221 -2.276 6.406 1.00 32.23 H new ATOM 0 HB3 LYS A 8 -7.507 -2.019 6.149 1.00 32.23 H new ATOM 0 HG2 LYS A 8 -8.549 -0.279 7.577 1.00 51.25 H new ATOM 0 HG3 LYS A 8 -7.776 0.381 6.150 1.00 51.25 H new ATOM 0 HD2 LYS A 8 -9.870 0.850 5.085 1.00 73.55 H new ATOM 0 HD3 LYS A 8 -10.760 -0.191 6.178 1.00 73.55 H new ATOM 0 HE2 LYS A 8 -9.310 2.318 7.123 1.00 11.43 H new ATOM 0 HE3 LYS A 8 -10.977 2.338 6.583 1.00 11.43 H new ATOM 0 HZ1 LYS A 8 -10.229 1.884 9.104 1.00 42.23 H new ATOM 0 HZ2 LYS A 8 -11.688 1.322 8.442 1.00 42.23 H new ATOM 0 HZ3 LYS A 8 -10.346 0.286 8.543 1.00 42.23 H new ATOM 127 N ARG A 9 -8.671 -4.220 4.055 1.00 52.30 N ATOM 128 CA ARG A 9 -8.147 -5.548 3.674 1.00 35.35 C ATOM 129 C ARG A 9 -7.885 -5.593 2.163 1.00 11.13 C ATOM 130 O ARG A 9 -6.848 -6.089 1.708 1.00 4.54 O ATOM 131 CB ARG A 9 -9.162 -6.647 4.079 1.00 53.23 C ATOM 132 CG ARG A 9 -9.596 -6.599 5.560 1.00 12.43 C ATOM 133 CD ARG A 9 -8.466 -6.958 6.537 1.00 75.33 C ATOM 134 NE ARG A 9 -8.015 -8.356 6.352 1.00 41.00 N ATOM 135 CZ ARG A 9 -8.042 -9.318 7.293 1.00 61.24 C ATOM 136 NH1 ARG A 9 -8.497 -9.068 8.522 1.00 23.21 N ATOM 137 NH2 ARG A 9 -7.618 -10.533 6.991 1.00 64.21 N ATOM 0 H ARG A 9 -9.612 -4.253 4.447 1.00 52.30 H new ATOM 0 HA ARG A 9 -7.207 -5.728 4.196 1.00 35.35 H new ATOM 0 HB2 ARG A 9 -10.048 -6.556 3.450 1.00 53.23 H new ATOM 0 HB3 ARG A 9 -8.724 -7.623 3.873 1.00 53.23 H new ATOM 0 HG2 ARG A 9 -9.963 -5.599 5.792 1.00 12.43 H new ATOM 0 HG3 ARG A 9 -10.428 -7.287 5.710 1.00 12.43 H new ATOM 0 HD2 ARG A 9 -7.625 -6.280 6.388 1.00 75.33 H new ATOM 0 HD3 ARG A 9 -8.811 -6.818 7.562 1.00 75.33 H new ATOM 0 HE ARG A 9 -7.653 -8.612 5.433 1.00 41.00 H new ATOM 0 HH11 ARG A 9 -8.832 -8.135 8.762 1.00 23.21 H new ATOM 0 HH12 ARG A 9 -8.510 -9.810 9.222 1.00 23.21 H new ATOM 0 HH21 ARG A 9 -7.274 -10.735 6.052 1.00 64.21 H new ATOM 0 HH22 ARG A 9 -7.634 -11.269 7.697 1.00 64.21 H new ATOM 151 N GLN A 10 -8.846 -5.026 1.407 1.00 72.22 N ATOM 152 CA GLN A 10 -8.764 -4.925 -0.064 1.00 71.12 C ATOM 153 C GLN A 10 -7.626 -3.972 -0.489 1.00 63.40 C ATOM 154 O GLN A 10 -6.851 -4.290 -1.388 1.00 21.43 O ATOM 155 CB GLN A 10 -10.124 -4.436 -0.661 1.00 74.33 C ATOM 156 CG GLN A 10 -11.374 -5.116 -0.055 1.00 40.30 C ATOM 157 CD GLN A 10 -11.353 -6.646 -0.113 1.00 14.41 C ATOM 158 OE1 GLN A 10 -10.801 -7.248 -1.038 1.00 20.21 O ATOM 159 NE2 GLN A 10 -11.944 -7.288 0.883 1.00 2.24 N ATOM 0 H GLN A 10 -9.699 -4.626 1.798 1.00 72.22 H new ATOM 0 HA GLN A 10 -8.547 -5.919 -0.455 1.00 71.12 H new ATOM 0 HB2 GLN A 10 -10.205 -3.359 -0.513 1.00 74.33 H new ATOM 0 HB3 GLN A 10 -10.117 -4.610 -1.737 1.00 74.33 H new ATOM 0 HG2 GLN A 10 -11.473 -4.805 0.985 1.00 40.30 H new ATOM 0 HG3 GLN A 10 -12.259 -4.757 -0.581 1.00 40.30 H new ATOM 0 HE21 GLN A 10 -12.392 -6.763 1.634 1.00 2.24 H new ATOM 0 HE22 GLN A 10 -11.951 -8.308 0.899 1.00 2.24 H new ATOM 168 N VAL A 11 -7.525 -2.827 0.216 1.00 33.15 N ATOM 169 CA VAL A 11 -6.586 -1.738 -0.115 1.00 32.13 C ATOM 170 C VAL A 11 -5.122 -2.161 0.112 1.00 41.31 C ATOM 171 O VAL A 11 -4.261 -1.886 -0.729 1.00 53.12 O ATOM 172 CB VAL A 11 -6.911 -0.454 0.734 1.00 64.15 C ATOM 173 CG1 VAL A 11 -5.954 0.703 0.421 1.00 72.14 C ATOM 174 CG2 VAL A 11 -8.353 0.005 0.512 1.00 5.43 C ATOM 0 H VAL A 11 -8.098 -2.631 1.037 1.00 33.15 H new ATOM 0 HA VAL A 11 -6.711 -1.510 -1.174 1.00 32.13 H new ATOM 0 HB VAL A 11 -6.779 -0.734 1.779 1.00 64.15 H new ATOM 0 HG11 VAL A 11 -6.217 1.568 1.031 1.00 72.14 H new ATOM 0 HG12 VAL A 11 -4.931 0.399 0.644 1.00 72.14 H new ATOM 0 HG13 VAL A 11 -6.033 0.965 -0.634 1.00 72.14 H new ATOM 0 HG21 VAL A 11 -8.548 0.894 1.112 1.00 5.43 H new ATOM 0 HG22 VAL A 11 -8.502 0.238 -0.542 1.00 5.43 H new ATOM 0 HG23 VAL A 11 -9.038 -0.790 0.808 1.00 5.43 H new ATOM 184 N LYS A 12 -4.863 -2.850 1.248 1.00 21.12 N ATOM 185 CA LYS A 12 -3.518 -3.344 1.600 1.00 62.40 C ATOM 186 C LYS A 12 -3.040 -4.377 0.573 1.00 14.45 C ATOM 187 O LYS A 12 -1.845 -4.475 0.312 1.00 72.41 O ATOM 188 CB LYS A 12 -3.489 -3.961 3.020 1.00 4.52 C ATOM 189 CG LYS A 12 -3.743 -2.961 4.168 1.00 11.54 C ATOM 190 CD LYS A 12 -3.602 -3.626 5.562 1.00 63.25 C ATOM 191 CE LYS A 12 -4.654 -4.721 5.825 1.00 44.54 C ATOM 192 NZ LYS A 12 -4.406 -5.421 7.115 1.00 52.45 N ATOM 0 H LYS A 12 -5.578 -3.076 1.940 1.00 21.12 H new ATOM 0 HA LYS A 12 -2.843 -2.488 1.590 1.00 62.40 H new ATOM 0 HB2 LYS A 12 -4.239 -4.750 3.073 1.00 4.52 H new ATOM 0 HB3 LYS A 12 -2.519 -4.432 3.176 1.00 4.52 H new ATOM 0 HG2 LYS A 12 -3.039 -2.133 4.089 1.00 11.54 H new ATOM 0 HG3 LYS A 12 -4.743 -2.540 4.067 1.00 11.54 H new ATOM 0 HD2 LYS A 12 -2.606 -4.060 5.651 1.00 63.25 H new ATOM 0 HD3 LYS A 12 -3.685 -2.859 6.332 1.00 63.25 H new ATOM 0 HE2 LYS A 12 -5.649 -4.275 5.838 1.00 44.54 H new ATOM 0 HE3 LYS A 12 -4.639 -5.444 5.009 1.00 44.54 H new ATOM 0 HZ1 LYS A 12 -5.133 -6.151 7.259 1.00 52.45 H new ATOM 0 HZ2 LYS A 12 -3.467 -5.867 7.093 1.00 52.45 H new ATOM 0 HZ3 LYS A 12 -4.445 -4.735 7.895 1.00 52.45 H new ATOM 206 N GLN A 13 -3.998 -5.137 0.004 1.00 71.10 N ATOM 207 CA GLN A 13 -3.723 -6.096 -1.074 1.00 51.10 C ATOM 208 C GLN A 13 -3.289 -5.351 -2.349 1.00 52.32 C ATOM 209 O GLN A 13 -2.216 -5.611 -2.881 1.00 55.34 O ATOM 210 CB GLN A 13 -4.968 -6.975 -1.348 1.00 63.15 C ATOM 211 CG GLN A 13 -4.793 -8.003 -2.483 1.00 20.13 C ATOM 212 CD GLN A 13 -6.054 -8.813 -2.797 1.00 15.04 C ATOM 213 OE1 GLN A 13 -7.236 -8.199 -2.678 1.00 40.43 O flip ATOM 214 NE2 GLN A 13 -5.966 -9.981 -3.186 1.00 34.33 N flip ATOM 0 H GLN A 13 -4.979 -5.100 0.281 1.00 71.10 H new ATOM 0 HA GLN A 13 -2.908 -6.750 -0.762 1.00 51.10 H new ATOM 0 HB2 GLN A 13 -5.230 -7.506 -0.433 1.00 63.15 H new ATOM 0 HB3 GLN A 13 -5.809 -6.325 -1.591 1.00 63.15 H new ATOM 0 HG2 GLN A 13 -4.476 -7.480 -3.386 1.00 20.13 H new ATOM 0 HG3 GLN A 13 -3.991 -8.690 -2.215 1.00 20.13 H new ATOM 0 HE21 GLN A 13 -5.051 -10.424 -3.267 1.00 34.33 H new ATOM 0 HE22 GLN A 13 -6.808 -10.503 -3.426 1.00 34.33 H new ATOM 223 N VAL A 14 -4.110 -4.372 -2.780 1.00 1.23 N ATOM 224 CA VAL A 14 -3.848 -3.553 -3.989 1.00 63.24 C ATOM 225 C VAL A 14 -2.502 -2.785 -3.855 1.00 64.03 C ATOM 226 O VAL A 14 -1.788 -2.559 -4.839 1.00 25.11 O ATOM 227 CB VAL A 14 -5.045 -2.549 -4.247 1.00 14.35 C ATOM 228 CG1 VAL A 14 -4.825 -1.661 -5.492 1.00 62.53 C ATOM 229 CG2 VAL A 14 -6.389 -3.307 -4.370 1.00 2.42 C ATOM 0 H VAL A 14 -4.976 -4.124 -2.301 1.00 1.23 H new ATOM 0 HA VAL A 14 -3.770 -4.222 -4.846 1.00 63.24 H new ATOM 0 HB VAL A 14 -5.081 -1.890 -3.380 1.00 14.35 H new ATOM 0 HG11 VAL A 14 -5.678 -0.994 -5.618 1.00 62.53 H new ATOM 0 HG12 VAL A 14 -3.918 -1.070 -5.362 1.00 62.53 H new ATOM 0 HG13 VAL A 14 -4.724 -2.292 -6.375 1.00 62.53 H new ATOM 0 HG21 VAL A 14 -7.194 -2.594 -4.547 1.00 2.42 H new ATOM 0 HG22 VAL A 14 -6.336 -4.008 -5.203 1.00 2.42 H new ATOM 0 HG23 VAL A 14 -6.584 -3.853 -3.447 1.00 2.42 H new ATOM 239 N ALA A 15 -2.154 -2.441 -2.608 1.00 10.42 N ATOM 240 CA ALA A 15 -0.922 -1.718 -2.270 1.00 23.20 C ATOM 241 C ALA A 15 0.319 -2.635 -2.321 1.00 41.23 C ATOM 242 O ALA A 15 1.348 -2.285 -2.934 1.00 62.24 O ATOM 243 CB ALA A 15 -1.081 -1.081 -0.881 1.00 60.42 C ATOM 0 H ALA A 15 -2.729 -2.660 -1.795 1.00 10.42 H new ATOM 0 HA ALA A 15 -0.761 -0.938 -3.014 1.00 23.20 H new ATOM 0 HB1 ALA A 15 -0.170 -0.542 -0.622 1.00 60.42 H new ATOM 0 HB2 ALA A 15 -1.922 -0.388 -0.893 1.00 60.42 H new ATOM 0 HB3 ALA A 15 -1.264 -1.861 -0.142 1.00 60.42 H new ATOM 249 N LYS A 16 0.201 -3.828 -1.699 1.00 50.54 N ATOM 250 CA LYS A 16 1.335 -4.752 -1.526 1.00 14.33 C ATOM 251 C LYS A 16 1.756 -5.382 -2.860 1.00 62.42 C ATOM 252 O LYS A 16 2.944 -5.620 -3.077 1.00 64.42 O ATOM 253 CB LYS A 16 1.009 -5.850 -0.472 1.00 63.05 C ATOM 254 CG LYS A 16 -0.004 -6.926 -0.918 1.00 12.22 C ATOM 255 CD LYS A 16 -0.244 -8.025 0.137 1.00 42.24 C ATOM 256 CE LYS A 16 1.045 -8.780 0.510 1.00 1.10 C ATOM 257 NZ LYS A 16 0.766 -9.960 1.372 1.00 4.33 N ATOM 0 H LYS A 16 -0.676 -4.172 -1.307 1.00 50.54 H new ATOM 0 HA LYS A 16 2.177 -4.168 -1.156 1.00 14.33 H new ATOM 0 HB2 LYS A 16 1.938 -6.346 -0.192 1.00 63.05 H new ATOM 0 HB3 LYS A 16 0.624 -5.364 0.425 1.00 63.05 H new ATOM 0 HG2 LYS A 16 -0.954 -6.444 -1.151 1.00 12.22 H new ATOM 0 HG3 LYS A 16 0.352 -7.389 -1.838 1.00 12.22 H new ATOM 0 HD2 LYS A 16 -0.670 -7.575 1.034 1.00 42.24 H new ATOM 0 HD3 LYS A 16 -0.979 -8.734 -0.244 1.00 42.24 H new ATOM 0 HE2 LYS A 16 1.551 -9.106 -0.399 1.00 1.10 H new ATOM 0 HE3 LYS A 16 1.725 -8.104 1.029 1.00 1.10 H new ATOM 0 HZ1 LYS A 16 1.659 -10.441 1.601 1.00 4.33 H new ATOM 0 HZ2 LYS A 16 0.306 -9.647 2.251 1.00 4.33 H new ATOM 0 HZ3 LYS A 16 0.138 -10.618 0.868 1.00 4.33 H new ATOM 271 N GLU A 17 0.766 -5.618 -3.752 1.00 60.41 N ATOM 272 CA GLU A 17 1.012 -6.191 -5.079 1.00 52.12 C ATOM 273 C GLU A 17 1.832 -5.227 -5.948 1.00 30.00 C ATOM 274 O GLU A 17 2.696 -5.663 -6.698 1.00 3.41 O ATOM 275 CB GLU A 17 -0.316 -6.558 -5.785 1.00 31.11 C ATOM 276 CG GLU A 17 -1.171 -7.608 -5.047 1.00 52.22 C ATOM 277 CD GLU A 17 -0.433 -8.933 -4.794 1.00 42.32 C ATOM 278 OE1 GLU A 17 -0.361 -9.766 -5.719 1.00 60.25 O ATOM 279 OE2 GLU A 17 0.062 -9.154 -3.665 1.00 74.20 O ATOM 0 H GLU A 17 -0.216 -5.415 -3.566 1.00 60.41 H new ATOM 0 HA GLU A 17 1.588 -7.106 -4.942 1.00 52.12 H new ATOM 0 HB2 GLU A 17 -0.908 -5.651 -5.910 1.00 31.11 H new ATOM 0 HB3 GLU A 17 -0.089 -6.931 -6.784 1.00 31.11 H new ATOM 0 HG2 GLU A 17 -1.496 -7.194 -4.092 1.00 52.22 H new ATOM 0 HG3 GLU A 17 -2.070 -7.808 -5.630 1.00 52.22 H new ATOM 286 N LYS A 18 1.561 -3.914 -5.805 1.00 5.20 N ATOM 287 CA LYS A 18 2.309 -2.856 -6.509 1.00 14.50 C ATOM 288 C LYS A 18 3.798 -2.880 -6.132 1.00 54.33 C ATOM 289 O LYS A 18 4.674 -2.755 -6.995 1.00 60.13 O ATOM 290 CB LYS A 18 1.695 -1.464 -6.196 1.00 52.31 C ATOM 291 CG LYS A 18 0.391 -1.157 -6.954 1.00 30.34 C ATOM 292 CD LYS A 18 0.606 -1.089 -8.486 1.00 62.25 C ATOM 293 CE LYS A 18 -0.682 -0.815 -9.269 1.00 44.01 C ATOM 294 NZ LYS A 18 -0.423 -0.760 -10.734 1.00 25.14 N ATOM 0 H LYS A 18 0.820 -3.559 -5.200 1.00 5.20 H new ATOM 0 HA LYS A 18 2.232 -3.045 -7.580 1.00 14.50 H new ATOM 0 HB2 LYS A 18 1.502 -1.398 -5.125 1.00 52.31 H new ATOM 0 HB3 LYS A 18 2.429 -0.695 -6.435 1.00 52.31 H new ATOM 0 HG2 LYS A 18 -0.349 -1.925 -6.727 1.00 30.34 H new ATOM 0 HG3 LYS A 18 -0.016 -0.208 -6.604 1.00 30.34 H new ATOM 0 HD2 LYS A 18 1.332 -0.307 -8.709 1.00 62.25 H new ATOM 0 HD3 LYS A 18 1.037 -2.030 -8.827 1.00 62.25 H new ATOM 0 HE2 LYS A 18 -1.413 -1.595 -9.056 1.00 44.01 H new ATOM 0 HE3 LYS A 18 -1.117 0.128 -8.939 1.00 44.01 H new ATOM 0 HZ1 LYS A 18 -1.314 -0.573 -11.237 1.00 25.14 H new ATOM 0 HZ2 LYS A 18 0.256 0.001 -10.938 1.00 25.14 H new ATOM 0 HZ3 LYS A 18 -0.030 -1.669 -11.051 1.00 25.14 H new ATOM 308 N LEU A 19 4.067 -3.058 -4.829 1.00 53.11 N ATOM 309 CA LEU A 19 5.440 -3.141 -4.304 1.00 43.22 C ATOM 310 C LEU A 19 6.118 -4.471 -4.680 1.00 10.13 C ATOM 311 O LEU A 19 7.337 -4.514 -4.851 1.00 70.13 O ATOM 312 CB LEU A 19 5.439 -2.925 -2.778 1.00 40.13 C ATOM 313 CG LEU A 19 4.920 -1.539 -2.287 1.00 53.14 C ATOM 314 CD1 LEU A 19 5.131 -1.390 -0.778 1.00 63.01 C ATOM 315 CD2 LEU A 19 5.581 -0.376 -3.060 1.00 45.50 C ATOM 0 H LEU A 19 3.345 -3.148 -4.114 1.00 53.11 H new ATOM 0 HA LEU A 19 6.026 -2.347 -4.767 1.00 43.22 H new ATOM 0 HB2 LEU A 19 4.828 -3.703 -2.321 1.00 40.13 H new ATOM 0 HB3 LEU A 19 6.456 -3.062 -2.410 1.00 40.13 H new ATOM 0 HG LEU A 19 3.850 -1.493 -2.490 1.00 53.14 H new ATOM 0 HD11 LEU A 19 4.763 -0.417 -0.453 1.00 63.01 H new ATOM 0 HD12 LEU A 19 4.587 -2.177 -0.255 1.00 63.01 H new ATOM 0 HD13 LEU A 19 6.194 -1.471 -0.550 1.00 63.01 H new ATOM 0 HD21 LEU A 19 5.194 0.573 -2.690 1.00 45.50 H new ATOM 0 HD22 LEU A 19 6.661 -0.409 -2.914 1.00 45.50 H new ATOM 0 HD23 LEU A 19 5.355 -0.470 -4.122 1.00 45.50 H new ATOM 327 N LEU A 20 5.310 -5.542 -4.819 1.00 74.04 N ATOM 328 CA LEU A 20 5.786 -6.860 -5.295 1.00 0.12 C ATOM 329 C LEU A 20 6.149 -6.817 -6.791 1.00 74.12 C ATOM 330 O LEU A 20 6.984 -7.591 -7.250 1.00 60.15 O ATOM 331 CB LEU A 20 4.724 -7.961 -5.024 1.00 42.55 C ATOM 332 CG LEU A 20 4.581 -8.405 -3.534 1.00 23.01 C ATOM 333 CD1 LEU A 20 3.371 -9.329 -3.329 1.00 4.53 C ATOM 334 CD2 LEU A 20 5.873 -9.078 -3.034 1.00 75.44 C ATOM 0 H LEU A 20 4.313 -5.520 -4.606 1.00 74.04 H new ATOM 0 HA LEU A 20 6.689 -7.106 -4.737 1.00 0.12 H new ATOM 0 HB2 LEU A 20 3.756 -7.601 -5.372 1.00 42.55 H new ATOM 0 HB3 LEU A 20 4.973 -8.837 -5.624 1.00 42.55 H new ATOM 0 HG LEU A 20 4.411 -7.506 -2.942 1.00 23.01 H new ATOM 0 HD11 LEU A 20 3.306 -9.616 -2.279 1.00 4.53 H new ATOM 0 HD12 LEU A 20 2.460 -8.805 -3.619 1.00 4.53 H new ATOM 0 HD13 LEU A 20 3.487 -10.222 -3.943 1.00 4.53 H new ATOM 0 HD21 LEU A 20 5.748 -9.378 -1.994 1.00 75.44 H new ATOM 0 HD22 LEU A 20 6.084 -9.957 -3.642 1.00 75.44 H new ATOM 0 HD23 LEU A 20 6.703 -8.375 -3.112 1.00 75.44 H new ATOM 346 N GLU A 21 5.505 -5.910 -7.549 1.00 45.24 N ATOM 347 CA GLU A 21 5.844 -5.675 -8.968 1.00 54.12 C ATOM 348 C GLU A 21 7.214 -4.985 -9.087 1.00 32.41 C ATOM 349 O GLU A 21 7.978 -5.251 -10.014 1.00 51.12 O ATOM 350 CB GLU A 21 4.740 -4.845 -9.666 1.00 12.13 C ATOM 351 CG GLU A 21 3.400 -5.593 -9.815 1.00 73.31 C ATOM 352 CD GLU A 21 2.332 -4.775 -10.541 1.00 65.14 C ATOM 353 OE1 GLU A 21 2.135 -4.976 -11.763 1.00 32.24 O ATOM 354 OE2 GLU A 21 1.688 -3.918 -9.902 1.00 70.05 O ATOM 0 H GLU A 21 4.744 -5.325 -7.202 1.00 45.24 H new ATOM 0 HA GLU A 21 5.905 -6.639 -9.472 1.00 54.12 H new ATOM 0 HB2 GLU A 21 4.573 -3.929 -9.099 1.00 12.13 H new ATOM 0 HB3 GLU A 21 5.092 -4.548 -10.654 1.00 12.13 H new ATOM 0 HG2 GLU A 21 3.569 -6.523 -10.359 1.00 73.31 H new ATOM 0 HG3 GLU A 21 3.031 -5.865 -8.826 1.00 73.31 H new ATOM 361 N GLN A 22 7.508 -4.103 -8.113 1.00 50.55 N ATOM 362 CA GLN A 22 8.777 -3.355 -8.054 1.00 24.44 C ATOM 363 C GLN A 22 9.901 -4.190 -7.404 1.00 33.43 C ATOM 364 O GLN A 22 11.085 -3.943 -7.665 1.00 43.51 O ATOM 365 CB GLN A 22 8.561 -2.026 -7.289 1.00 42.01 C ATOM 366 CG GLN A 22 7.509 -1.091 -7.932 1.00 64.42 C ATOM 367 CD GLN A 22 7.330 0.255 -7.215 1.00 71.51 C ATOM 368 OE1 GLN A 22 7.472 0.275 -5.895 1.00 72.03 O flip ATOM 369 NE2 GLN A 22 7.033 1.274 -7.846 1.00 35.14 N flip ATOM 0 H GLN A 22 6.872 -3.889 -7.345 1.00 50.55 H new ATOM 0 HA GLN A 22 9.094 -3.134 -9.073 1.00 24.44 H new ATOM 0 HB2 GLN A 22 8.254 -2.253 -6.268 1.00 42.01 H new ATOM 0 HB3 GLN A 22 9.512 -1.497 -7.226 1.00 42.01 H new ATOM 0 HG2 GLN A 22 7.794 -0.902 -8.967 1.00 64.42 H new ATOM 0 HG3 GLN A 22 6.549 -1.607 -7.955 1.00 64.42 H new ATOM 0 HE21 GLN A 22 6.929 1.234 -8.860 1.00 35.14 H new ATOM 0 HE22 GLN A 22 6.891 2.156 -7.353 1.00 35.14 H new ATOM 378 N SER A 23 9.515 -5.166 -6.556 1.00 22.42 N ATOM 379 CA SER A 23 10.458 -6.061 -5.866 1.00 34.12 C ATOM 380 C SER A 23 9.717 -7.352 -5.429 1.00 42.25 C ATOM 381 O SER A 23 9.082 -7.374 -4.365 1.00 1.25 O ATOM 382 CB SER A 23 11.106 -5.350 -4.649 1.00 34.33 C ATOM 383 OG SER A 23 12.058 -6.184 -4.011 1.00 45.54 O ATOM 0 H SER A 23 8.538 -5.353 -6.332 1.00 22.42 H new ATOM 0 HA SER A 23 11.262 -6.330 -6.551 1.00 34.12 H new ATOM 0 HB2 SER A 23 11.588 -4.429 -4.978 1.00 34.33 H new ATOM 0 HB3 SER A 23 10.332 -5.067 -3.936 1.00 34.33 H new ATOM 0 HG SER A 23 11.658 -6.585 -3.212 1.00 45.54 H new ATOM 389 N PRO A 24 9.750 -8.438 -6.268 1.00 43.23 N ATOM 390 CA PRO A 24 9.058 -9.719 -5.967 1.00 74.11 C ATOM 391 C PRO A 24 9.851 -10.644 -5.025 1.00 14.41 C ATOM 392 O PRO A 24 9.330 -11.660 -4.570 1.00 51.40 O ATOM 393 CB PRO A 24 8.900 -10.342 -7.370 1.00 64.33 C ATOM 394 CG PRO A 24 10.118 -9.890 -8.123 1.00 3.42 C ATOM 395 CD PRO A 24 10.439 -8.496 -7.598 1.00 33.52 C ATOM 0 HA PRO A 24 8.120 -9.567 -5.433 1.00 74.11 H new ATOM 0 HB2 PRO A 24 8.847 -11.429 -7.317 1.00 64.33 H new ATOM 0 HB3 PRO A 24 7.985 -10.001 -7.855 1.00 64.33 H new ATOM 0 HG2 PRO A 24 10.953 -10.571 -7.960 1.00 3.42 H new ATOM 0 HG3 PRO A 24 9.929 -9.869 -9.196 1.00 3.42 H new ATOM 0 HD2 PRO A 24 11.514 -8.346 -7.497 1.00 33.52 H new ATOM 0 HD3 PRO A 24 10.071 -7.722 -8.272 1.00 33.52 H new ATOM 403 N ASN A 25 11.118 -10.289 -4.755 1.00 13.40 N ATOM 404 CA ASN A 25 12.018 -11.087 -3.896 1.00 25.24 C ATOM 405 C ASN A 25 11.837 -10.734 -2.412 1.00 61.41 C ATOM 406 O ASN A 25 12.411 -11.390 -1.538 1.00 54.41 O ATOM 407 CB ASN A 25 13.487 -10.878 -4.331 1.00 31.44 C ATOM 408 CG ASN A 25 13.723 -11.306 -5.783 1.00 12.45 C ATOM 409 OD1 ASN A 25 13.575 -10.507 -6.712 1.00 10.44 O ATOM 410 ND2 ASN A 25 14.091 -12.563 -5.993 1.00 41.20 N ATOM 0 H ASN A 25 11.550 -9.442 -5.124 1.00 13.40 H new ATOM 0 HA ASN A 25 11.758 -12.139 -4.016 1.00 25.24 H new ATOM 0 HB2 ASN A 25 13.753 -9.827 -4.215 1.00 31.44 H new ATOM 0 HB3 ASN A 25 14.144 -11.448 -3.674 1.00 31.44 H new ATOM 0 HD21 ASN A 25 14.260 -12.893 -6.943 1.00 41.20 H new ATOM 0 HD22 ASN A 25 14.205 -13.200 -5.204 1.00 41.20 H new ATOM 417 N SER A 26 11.021 -9.705 -2.140 1.00 23.11 N ATOM 418 CA SER A 26 10.793 -9.166 -0.793 1.00 4.13 C ATOM 419 C SER A 26 9.343 -9.393 -0.346 1.00 0.51 C ATOM 420 O SER A 26 8.419 -9.270 -1.153 1.00 74.10 O ATOM 421 CB SER A 26 11.101 -7.665 -0.815 1.00 72.15 C ATOM 422 OG SER A 26 10.324 -6.993 -1.781 1.00 24.21 O ATOM 0 H SER A 26 10.493 -9.216 -2.863 1.00 23.11 H new ATOM 0 HA SER A 26 11.444 -9.679 -0.085 1.00 4.13 H new ATOM 0 HB2 SER A 26 10.909 -7.238 0.169 1.00 72.15 H new ATOM 0 HB3 SER A 26 12.159 -7.513 -1.027 1.00 72.15 H new ATOM 0 HG SER A 26 9.431 -7.394 -1.819 1.00 24.21 H new ATOM 428 N LYS A 27 9.146 -9.737 0.938 1.00 21.30 N ATOM 429 CA LYS A 27 7.802 -9.796 1.541 1.00 55.50 C ATOM 430 C LYS A 27 7.362 -8.377 1.912 1.00 34.35 C ATOM 431 O LYS A 27 8.106 -7.655 2.594 1.00 22.20 O ATOM 432 CB LYS A 27 7.786 -10.700 2.800 1.00 51.00 C ATOM 433 CG LYS A 27 8.261 -12.153 2.566 1.00 21.33 C ATOM 434 CD LYS A 27 8.022 -13.060 3.799 1.00 1.12 C ATOM 435 CE LYS A 27 8.680 -12.527 5.088 1.00 11.24 C ATOM 436 NZ LYS A 27 8.415 -13.426 6.243 1.00 11.40 N ATOM 0 H LYS A 27 9.901 -9.979 1.580 1.00 21.30 H new ATOM 0 HA LYS A 27 7.112 -10.227 0.816 1.00 55.50 H new ATOM 0 HB2 LYS A 27 8.417 -10.246 3.563 1.00 51.00 H new ATOM 0 HB3 LYS A 27 6.772 -10.725 3.198 1.00 51.00 H new ATOM 0 HG2 LYS A 27 7.737 -12.569 1.706 1.00 21.33 H new ATOM 0 HG3 LYS A 27 9.323 -12.150 2.321 1.00 21.33 H new ATOM 0 HD2 LYS A 27 6.949 -13.162 3.963 1.00 1.12 H new ATOM 0 HD3 LYS A 27 8.409 -14.057 3.588 1.00 1.12 H new ATOM 0 HE2 LYS A 27 9.755 -12.433 4.937 1.00 11.24 H new ATOM 0 HE3 LYS A 27 8.300 -11.529 5.307 1.00 11.24 H new ATOM 0 HZ1 LYS A 27 8.871 -13.040 7.095 1.00 11.40 H new ATOM 0 HZ2 LYS A 27 7.389 -13.496 6.400 1.00 11.40 H new ATOM 0 HZ3 LYS A 27 8.800 -14.371 6.043 1.00 11.40 H new ATOM 450 N VAL A 28 6.166 -7.983 1.452 1.00 15.13 N ATOM 451 CA VAL A 28 5.609 -6.655 1.730 1.00 44.01 C ATOM 452 C VAL A 28 4.613 -6.746 2.893 1.00 2.22 C ATOM 453 O VAL A 28 3.551 -7.371 2.763 1.00 2.11 O ATOM 454 CB VAL A 28 4.886 -6.057 0.471 1.00 23.03 C ATOM 455 CG1 VAL A 28 4.423 -4.615 0.754 1.00 65.52 C ATOM 456 CG2 VAL A 28 5.794 -6.116 -0.776 1.00 21.41 C ATOM 0 H VAL A 28 5.562 -8.573 0.880 1.00 15.13 H new ATOM 0 HA VAL A 28 6.435 -5.994 1.994 1.00 44.01 H new ATOM 0 HB VAL A 28 4.006 -6.665 0.262 1.00 23.03 H new ATOM 0 HG11 VAL A 28 3.924 -4.214 -0.128 1.00 65.52 H new ATOM 0 HG12 VAL A 28 3.730 -4.614 1.596 1.00 65.52 H new ATOM 0 HG13 VAL A 28 5.287 -3.996 0.995 1.00 65.52 H new ATOM 0 HG21 VAL A 28 5.265 -5.695 -1.631 1.00 21.41 H new ATOM 0 HG22 VAL A 28 6.702 -5.542 -0.592 1.00 21.41 H new ATOM 0 HG23 VAL A 28 6.056 -7.153 -0.986 1.00 21.41 H new ATOM 466 N GLN A 29 4.971 -6.133 4.025 1.00 22.03 N ATOM 467 CA GLN A 29 4.103 -6.038 5.210 1.00 71.42 C ATOM 468 C GLN A 29 3.426 -4.660 5.237 1.00 1.22 C ATOM 469 O GLN A 29 3.738 -3.791 4.413 1.00 14.54 O ATOM 470 CB GLN A 29 4.942 -6.256 6.501 1.00 55.00 C ATOM 471 CG GLN A 29 5.787 -7.555 6.537 1.00 3.23 C ATOM 472 CD GLN A 29 4.998 -8.823 6.193 1.00 54.42 C ATOM 473 OE1 GLN A 29 4.983 -9.286 5.048 1.00 31.42 O ATOM 474 NE2 GLN A 29 4.303 -9.373 7.168 1.00 54.41 N ATOM 0 H GLN A 29 5.878 -5.684 4.149 1.00 22.03 H new ATOM 0 HA GLN A 29 3.335 -6.810 5.162 1.00 71.42 H new ATOM 0 HB2 GLN A 29 5.611 -5.405 6.627 1.00 55.00 H new ATOM 0 HB3 GLN A 29 4.266 -6.259 7.356 1.00 55.00 H new ATOM 0 HG2 GLN A 29 6.617 -7.455 5.838 1.00 3.23 H new ATOM 0 HG3 GLN A 29 6.219 -7.667 7.531 1.00 3.23 H new ATOM 0 HE21 GLN A 29 4.333 -8.971 8.105 1.00 54.41 H new ATOM 0 HE22 GLN A 29 3.735 -10.201 6.986 1.00 54.41 H new ATOM 483 N VAL A 30 2.487 -4.463 6.178 1.00 65.41 N ATOM 484 CA VAL A 30 1.890 -3.144 6.435 1.00 21.22 C ATOM 485 C VAL A 30 2.599 -2.501 7.646 1.00 4.20 C ATOM 486 O VAL A 30 2.847 -3.162 8.664 1.00 1.21 O ATOM 487 CB VAL A 30 0.331 -3.232 6.675 1.00 15.11 C ATOM 488 CG1 VAL A 30 -0.036 -4.086 7.917 1.00 3.55 C ATOM 489 CG2 VAL A 30 -0.301 -1.820 6.751 1.00 65.34 C ATOM 0 H VAL A 30 2.124 -5.206 6.776 1.00 65.41 H new ATOM 0 HA VAL A 30 2.031 -2.522 5.551 1.00 21.22 H new ATOM 0 HB VAL A 30 -0.092 -3.747 5.813 1.00 15.11 H new ATOM 0 HG11 VAL A 30 -1.119 -4.112 8.034 1.00 3.55 H new ATOM 0 HG12 VAL A 30 0.339 -5.101 7.784 1.00 3.55 H new ATOM 0 HG13 VAL A 30 0.414 -3.646 8.807 1.00 3.55 H new ATOM 0 HG21 VAL A 30 -1.375 -1.910 6.917 1.00 65.34 H new ATOM 0 HG22 VAL A 30 0.148 -1.264 7.574 1.00 65.34 H new ATOM 0 HG23 VAL A 30 -0.122 -1.290 5.815 1.00 65.34 H new ATOM 499 N ARG A 31 2.977 -1.228 7.499 1.00 73.25 N ATOM 500 CA ARG A 31 3.548 -0.421 8.590 1.00 50.41 C ATOM 501 C ARG A 31 2.405 0.279 9.360 1.00 3.10 C ATOM 502 O ARG A 31 2.366 0.240 10.597 1.00 23.24 O ATOM 503 CB ARG A 31 4.569 0.603 8.017 1.00 52.03 C ATOM 504 CG ARG A 31 5.294 1.453 9.087 1.00 41.01 C ATOM 505 CD ARG A 31 6.143 0.600 10.053 1.00 70.31 C ATOM 506 NE ARG A 31 6.647 1.379 11.196 1.00 62.50 N ATOM 507 CZ ARG A 31 7.650 1.004 12.008 1.00 15.02 C ATOM 508 NH1 ARG A 31 8.300 -0.146 11.812 1.00 43.42 N ATOM 509 NH2 ARG A 31 8.002 1.787 13.020 1.00 25.33 N ATOM 0 H ARG A 31 2.897 -0.722 6.617 1.00 73.25 H new ATOM 0 HA ARG A 31 4.085 -1.064 9.288 1.00 50.41 H new ATOM 0 HB2 ARG A 31 5.315 0.065 7.432 1.00 52.03 H new ATOM 0 HB3 ARG A 31 4.048 1.272 7.332 1.00 52.03 H new ATOM 0 HG2 ARG A 31 5.936 2.181 8.592 1.00 41.01 H new ATOM 0 HG3 ARG A 31 4.556 2.016 9.659 1.00 41.01 H new ATOM 0 HD2 ARG A 31 5.543 -0.233 10.421 1.00 70.31 H new ATOM 0 HD3 ARG A 31 6.985 0.171 9.510 1.00 70.31 H new ATOM 0 HE ARG A 31 6.199 2.275 11.387 1.00 62.50 H new ATOM 0 HH11 ARG A 31 8.037 -0.755 11.037 1.00 43.42 H new ATOM 0 HH12 ARG A 31 9.059 -0.416 12.438 1.00 43.42 H new ATOM 0 HH21 ARG A 31 7.512 2.668 13.178 1.00 25.33 H new ATOM 0 HH22 ARG A 31 8.762 1.508 13.640 1.00 25.33 H new ATOM 523 N ARG A 32 1.478 0.902 8.596 1.00 42.13 N ATOM 524 CA ARG A 32 0.254 1.550 9.128 1.00 23.43 C ATOM 525 C ARG A 32 -0.736 1.818 7.977 1.00 13.23 C ATOM 526 O ARG A 32 -0.346 1.872 6.811 1.00 64.13 O ATOM 527 CB ARG A 32 0.588 2.887 9.898 1.00 14.30 C ATOM 528 CG ARG A 32 0.545 2.757 11.441 1.00 31.02 C ATOM 529 CD ARG A 32 0.851 4.072 12.179 1.00 44.10 C ATOM 530 NE ARG A 32 0.697 3.923 13.639 1.00 23.53 N ATOM 531 CZ ARG A 32 1.124 4.790 14.571 1.00 44.50 C ATOM 532 NH1 ARG A 32 1.755 5.910 14.235 1.00 43.54 N ATOM 533 NH2 ARG A 32 0.908 4.521 15.850 1.00 3.43 N ATOM 0 H ARG A 32 1.559 0.970 7.581 1.00 42.13 H new ATOM 0 HA ARG A 32 -0.205 0.871 9.846 1.00 23.43 H new ATOM 0 HB2 ARG A 32 1.580 3.227 9.600 1.00 14.30 H new ATOM 0 HB3 ARG A 32 -0.119 3.657 9.589 1.00 14.30 H new ATOM 0 HG2 ARG A 32 -0.442 2.403 11.740 1.00 31.02 H new ATOM 0 HG3 ARG A 32 1.263 1.999 11.754 1.00 31.02 H new ATOM 0 HD2 ARG A 32 1.868 4.390 11.950 1.00 44.10 H new ATOM 0 HD3 ARG A 32 0.184 4.855 11.820 1.00 44.10 H new ATOM 0 HE ARG A 32 0.222 3.084 13.971 1.00 23.53 H new ATOM 0 HH11 ARG A 32 1.924 6.125 13.252 1.00 43.54 H new ATOM 0 HH12 ARG A 32 2.071 6.555 14.960 1.00 43.54 H new ATOM 0 HH21 ARG A 32 0.423 3.664 16.116 1.00 3.43 H new ATOM 0 HH22 ARG A 32 1.227 5.171 16.569 1.00 3.43 H new ATOM 547 N VAL A 33 -2.029 1.960 8.324 1.00 25.40 N ATOM 548 CA VAL A 33 -3.095 2.318 7.368 1.00 63.51 C ATOM 549 C VAL A 33 -3.683 3.677 7.773 1.00 21.12 C ATOM 550 O VAL A 33 -4.343 3.785 8.817 1.00 12.43 O ATOM 551 CB VAL A 33 -4.239 1.228 7.338 1.00 34.13 C ATOM 552 CG1 VAL A 33 -5.364 1.610 6.349 1.00 42.04 C ATOM 553 CG2 VAL A 33 -3.676 -0.173 7.010 1.00 41.12 C ATOM 0 H VAL A 33 -2.365 1.829 9.278 1.00 25.40 H new ATOM 0 HA VAL A 33 -2.664 2.371 6.368 1.00 63.51 H new ATOM 0 HB VAL A 33 -4.672 1.192 8.338 1.00 34.13 H new ATOM 0 HG11 VAL A 33 -6.132 0.837 6.356 1.00 42.04 H new ATOM 0 HG12 VAL A 33 -5.804 2.561 6.648 1.00 42.04 H new ATOM 0 HG13 VAL A 33 -4.950 1.701 5.345 1.00 42.04 H new ATOM 0 HG21 VAL A 33 -4.490 -0.898 6.998 1.00 41.12 H new ATOM 0 HG22 VAL A 33 -3.194 -0.152 6.033 1.00 41.12 H new ATOM 0 HG23 VAL A 33 -2.947 -0.459 7.768 1.00 41.12 H new ATOM 563 N GLN A 34 -3.421 4.710 6.965 1.00 62.51 N ATOM 564 CA GLN A 34 -3.864 6.084 7.246 1.00 75.13 C ATOM 565 C GLN A 34 -5.108 6.402 6.404 1.00 22.12 C ATOM 566 O GLN A 34 -5.025 6.514 5.178 1.00 72.25 O ATOM 567 CB GLN A 34 -2.714 7.087 6.942 1.00 21.43 C ATOM 568 CG GLN A 34 -1.393 6.794 7.689 1.00 24.45 C ATOM 569 CD GLN A 34 -1.502 6.805 9.222 1.00 21.23 C ATOM 570 OE1 GLN A 34 -0.798 6.058 9.907 1.00 73.42 O ATOM 571 NE2 GLN A 34 -2.342 7.668 9.783 1.00 20.23 N ATOM 0 H GLN A 34 -2.895 4.619 6.096 1.00 62.51 H new ATOM 0 HA GLN A 34 -4.124 6.177 8.301 1.00 75.13 H new ATOM 0 HB2 GLN A 34 -2.519 7.082 5.870 1.00 21.43 H new ATOM 0 HB3 GLN A 34 -3.048 8.092 7.201 1.00 21.43 H new ATOM 0 HG2 GLN A 34 -1.022 5.819 7.372 1.00 24.45 H new ATOM 0 HG3 GLN A 34 -0.650 7.532 7.387 1.00 24.45 H new ATOM 0 HE21 GLN A 34 -2.915 8.276 9.198 1.00 20.23 H new ATOM 0 HE22 GLN A 34 -2.414 7.722 10.799 1.00 20.23 H new ATOM 580 N LYS A 35 -6.259 6.513 7.080 1.00 74.44 N ATOM 581 CA LYS A 35 -7.550 6.845 6.455 1.00 43.21 C ATOM 582 C LYS A 35 -7.628 8.366 6.213 1.00 13.21 C ATOM 583 O LYS A 35 -7.270 9.160 7.086 1.00 74.21 O ATOM 584 CB LYS A 35 -8.725 6.351 7.369 1.00 33.43 C ATOM 585 CG LYS A 35 -9.639 5.283 6.739 1.00 14.50 C ATOM 586 CD LYS A 35 -10.505 5.820 5.575 1.00 12.04 C ATOM 587 CE LYS A 35 -11.483 4.761 5.047 1.00 54.44 C ATOM 588 NZ LYS A 35 -12.366 5.283 3.973 1.00 44.11 N ATOM 0 H LYS A 35 -6.323 6.373 8.088 1.00 74.44 H new ATOM 0 HA LYS A 35 -7.637 6.340 5.493 1.00 43.21 H new ATOM 0 HB2 LYS A 35 -8.303 5.949 8.290 1.00 33.43 H new ATOM 0 HB3 LYS A 35 -9.335 7.211 7.647 1.00 33.43 H new ATOM 0 HG2 LYS A 35 -9.025 4.460 6.374 1.00 14.50 H new ATOM 0 HG3 LYS A 35 -10.293 4.875 7.510 1.00 14.50 H new ATOM 0 HD2 LYS A 35 -11.064 6.693 5.912 1.00 12.04 H new ATOM 0 HD3 LYS A 35 -9.856 6.151 4.764 1.00 12.04 H new ATOM 0 HE2 LYS A 35 -10.919 3.909 4.667 1.00 54.44 H new ATOM 0 HE3 LYS A 35 -12.096 4.395 5.871 1.00 54.44 H new ATOM 0 HZ1 LYS A 35 -12.673 4.498 3.364 1.00 44.11 H new ATOM 0 HZ2 LYS A 35 -13.199 5.738 4.399 1.00 44.11 H new ATOM 0 HZ3 LYS A 35 -11.845 5.979 3.403 1.00 44.11 H new ATOM 602 N GLN A 36 -8.110 8.745 5.032 1.00 73.13 N ATOM 603 CA GLN A 36 -8.232 10.145 4.608 1.00 32.23 C ATOM 604 C GLN A 36 -9.418 10.243 3.634 1.00 10.54 C ATOM 605 O GLN A 36 -9.247 10.438 2.427 1.00 52.41 O ATOM 606 CB GLN A 36 -6.887 10.615 3.971 1.00 23.20 C ATOM 607 CG GLN A 36 -6.804 12.116 3.644 1.00 3.02 C ATOM 608 CD GLN A 36 -5.459 12.513 3.033 1.00 50.13 C ATOM 609 OE1 GLN A 36 -5.280 12.490 1.814 1.00 53.22 O ATOM 610 NE2 GLN A 36 -4.492 12.855 3.873 1.00 73.13 N ATOM 0 H GLN A 36 -8.433 8.081 4.329 1.00 73.13 H new ATOM 0 HA GLN A 36 -8.427 10.806 5.453 1.00 32.23 H new ATOM 0 HB2 GLN A 36 -6.074 10.363 4.652 1.00 23.20 H new ATOM 0 HB3 GLN A 36 -6.722 10.050 3.053 1.00 23.20 H new ATOM 0 HG2 GLN A 36 -7.604 12.378 2.952 1.00 3.02 H new ATOM 0 HG3 GLN A 36 -6.969 12.692 4.555 1.00 3.02 H new ATOM 0 HE21 GLN A 36 -4.669 12.865 4.877 1.00 73.13 H new ATOM 0 HE22 GLN A 36 -3.571 13.108 3.515 1.00 73.13 H new ATOM 619 N GLY A 37 -10.631 10.014 4.178 1.00 31.44 N ATOM 620 CA GLY A 37 -11.856 9.934 3.373 1.00 33.52 C ATOM 621 C GLY A 37 -11.866 8.702 2.476 1.00 32.44 C ATOM 622 O GLY A 37 -11.497 7.614 2.924 1.00 75.52 O ATOM 0 H GLY A 37 -10.783 9.881 5.178 1.00 31.44 H new ATOM 0 HA2 GLY A 37 -12.723 9.910 4.033 1.00 33.52 H new ATOM 0 HA3 GLY A 37 -11.947 10.831 2.760 1.00 33.52 H new ATOM 626 N ASN A 38 -12.259 8.877 1.201 1.00 2.22 N ATOM 627 CA ASN A 38 -12.239 7.788 0.190 1.00 32.52 C ATOM 628 C ASN A 38 -10.810 7.506 -0.323 1.00 32.24 C ATOM 629 O ASN A 38 -10.619 6.635 -1.167 1.00 31.13 O ATOM 630 CB ASN A 38 -13.196 8.107 -0.992 1.00 20.02 C ATOM 631 CG ASN A 38 -14.672 8.058 -0.593 1.00 33.32 C ATOM 632 OD1 ASN A 38 -15.323 7.011 -0.668 1.00 14.04 O ATOM 633 ND2 ASN A 38 -15.216 9.179 -0.165 1.00 30.24 N ATOM 0 H ASN A 38 -12.598 9.768 0.838 1.00 2.22 H new ATOM 0 HA ASN A 38 -12.594 6.883 0.684 1.00 32.52 H new ATOM 0 HB2 ASN A 38 -12.964 9.097 -1.384 1.00 20.02 H new ATOM 0 HB3 ASN A 38 -13.019 7.395 -1.798 1.00 20.02 H new ATOM 0 HD21 ASN A 38 -16.197 9.196 0.114 1.00 30.24 H new ATOM 0 HD22 ASN A 38 -14.656 10.030 -0.113 1.00 30.24 H new ATOM 640 N THR A 39 -9.822 8.267 0.174 1.00 24.03 N ATOM 641 CA THR A 39 -8.395 7.983 -0.038 1.00 44.50 C ATOM 642 C THR A 39 -7.825 7.284 1.217 1.00 34.44 C ATOM 643 O THR A 39 -8.210 7.602 2.344 1.00 62.31 O ATOM 644 CB THR A 39 -7.595 9.305 -0.317 1.00 71.12 C ATOM 645 OG1 THR A 39 -8.181 10.010 -1.436 1.00 52.30 O ATOM 646 CG2 THR A 39 -6.101 9.036 -0.611 1.00 12.31 C ATOM 0 H THR A 39 -9.992 9.100 0.737 1.00 24.03 H new ATOM 0 HA THR A 39 -8.292 7.333 -0.907 1.00 44.50 H new ATOM 0 HB THR A 39 -7.654 9.912 0.586 1.00 71.12 H new ATOM 0 HG1 THR A 39 -7.678 10.834 -1.603 1.00 52.30 H new ATOM 0 HG21 THR A 39 -5.591 9.981 -0.797 1.00 12.31 H new ATOM 0 HG22 THR A 39 -5.645 8.540 0.246 1.00 12.31 H new ATOM 0 HG23 THR A 39 -6.012 8.397 -1.489 1.00 12.31 H new ATOM 654 N ILE A 40 -6.934 6.307 1.006 1.00 12.55 N ATOM 655 CA ILE A 40 -6.172 5.660 2.081 1.00 30.14 C ATOM 656 C ILE A 40 -4.676 5.656 1.711 1.00 21.40 C ATOM 657 O ILE A 40 -4.283 5.067 0.695 1.00 53.32 O ATOM 658 CB ILE A 40 -6.663 4.181 2.350 1.00 35.23 C ATOM 659 CG1 ILE A 40 -8.138 4.161 2.870 1.00 25.32 C ATOM 660 CG2 ILE A 40 -5.718 3.456 3.338 1.00 32.35 C ATOM 661 CD1 ILE A 40 -8.701 2.782 3.182 1.00 34.04 C ATOM 0 H ILE A 40 -6.720 5.941 0.078 1.00 12.55 H new ATOM 0 HA ILE A 40 -6.333 6.228 2.997 1.00 30.14 H new ATOM 0 HB ILE A 40 -6.637 3.644 1.402 1.00 35.23 H new ATOM 0 HG12 ILE A 40 -8.196 4.771 3.771 1.00 25.32 H new ATOM 0 HG13 ILE A 40 -8.775 4.635 2.123 1.00 25.32 H new ATOM 0 HG21 ILE A 40 -6.077 2.441 3.507 1.00 32.35 H new ATOM 0 HG22 ILE A 40 -4.712 3.420 2.920 1.00 32.35 H new ATOM 0 HG23 ILE A 40 -5.698 3.996 4.285 1.00 32.35 H new ATOM 0 HD11 ILE A 40 -9.728 2.879 3.535 1.00 34.04 H new ATOM 0 HD12 ILE A 40 -8.684 2.169 2.281 1.00 34.04 H new ATOM 0 HD13 ILE A 40 -8.095 2.308 3.954 1.00 34.04 H new ATOM 673 N ARG A 41 -3.858 6.343 2.528 1.00 23.23 N ATOM 674 CA ARG A 41 -2.395 6.253 2.460 1.00 45.35 C ATOM 675 C ARG A 41 -1.945 5.004 3.220 1.00 70.01 C ATOM 676 O ARG A 41 -1.883 5.012 4.454 1.00 24.32 O ATOM 677 CB ARG A 41 -1.716 7.504 3.085 1.00 65.23 C ATOM 678 CG ARG A 41 -1.658 8.759 2.192 1.00 54.02 C ATOM 679 CD ARG A 41 -0.766 9.855 2.813 1.00 4.02 C ATOM 680 NE ARG A 41 0.561 9.332 3.212 1.00 33.23 N ATOM 681 CZ ARG A 41 1.744 9.938 3.016 1.00 45.34 C ATOM 682 NH1 ARG A 41 1.825 11.121 2.414 1.00 74.22 N ATOM 683 NH2 ARG A 41 2.854 9.329 3.416 1.00 24.13 N ATOM 0 H ARG A 41 -4.196 6.976 3.253 1.00 23.23 H new ATOM 0 HA ARG A 41 -2.100 6.198 1.412 1.00 45.35 H new ATOM 0 HB2 ARG A 41 -2.246 7.760 4.003 1.00 65.23 H new ATOM 0 HB3 ARG A 41 -0.698 7.237 3.368 1.00 65.23 H new ATOM 0 HG2 ARG A 41 -1.273 8.489 1.208 1.00 54.02 H new ATOM 0 HG3 ARG A 41 -2.665 9.149 2.044 1.00 54.02 H new ATOM 0 HD2 ARG A 41 -0.635 10.665 2.096 1.00 4.02 H new ATOM 0 HD3 ARG A 41 -1.266 10.278 3.684 1.00 4.02 H new ATOM 0 HE ARG A 41 0.578 8.426 3.680 1.00 33.23 H new ATOM 0 HH11 ARG A 41 0.978 11.587 2.090 1.00 74.22 H new ATOM 0 HH12 ARG A 41 2.734 11.562 2.276 1.00 74.22 H new ATOM 0 HH21 ARG A 41 2.801 8.415 3.865 1.00 24.13 H new ATOM 0 HH22 ARG A 41 3.760 9.776 3.275 1.00 24.13 H new ATOM 697 N VAL A 42 -1.698 3.916 2.490 1.00 11.32 N ATOM 698 CA VAL A 42 -1.142 2.706 3.091 1.00 65.25 C ATOM 699 C VAL A 42 0.364 2.899 3.230 1.00 11.53 C ATOM 700 O VAL A 42 1.068 3.073 2.233 1.00 52.33 O ATOM 701 CB VAL A 42 -1.429 1.406 2.260 1.00 43.31 C ATOM 702 CG1 VAL A 42 -1.056 0.134 3.065 1.00 73.03 C ATOM 703 CG2 VAL A 42 -2.894 1.354 1.819 1.00 74.33 C ATOM 0 H VAL A 42 -1.873 3.849 1.487 1.00 11.32 H new ATOM 0 HA VAL A 42 -1.625 2.562 4.058 1.00 65.25 H new ATOM 0 HB VAL A 42 -0.803 1.436 1.368 1.00 43.31 H new ATOM 0 HG11 VAL A 42 -1.266 -0.751 2.464 1.00 73.03 H new ATOM 0 HG12 VAL A 42 0.005 0.160 3.315 1.00 73.03 H new ATOM 0 HG13 VAL A 42 -1.645 0.098 3.982 1.00 73.03 H new ATOM 0 HG21 VAL A 42 -3.069 0.444 1.245 1.00 74.33 H new ATOM 0 HG22 VAL A 42 -3.539 1.358 2.698 1.00 74.33 H new ATOM 0 HG23 VAL A 42 -3.119 2.223 1.200 1.00 74.33 H new ATOM 713 N GLU A 43 0.831 2.952 4.466 1.00 54.43 N ATOM 714 CA GLU A 43 2.257 2.912 4.782 1.00 1.41 C ATOM 715 C GLU A 43 2.645 1.437 4.866 1.00 2.20 C ATOM 716 O GLU A 43 2.082 0.704 5.680 1.00 31.44 O ATOM 717 CB GLU A 43 2.515 3.633 6.127 1.00 3.13 C ATOM 718 CG GLU A 43 1.819 5.007 6.237 1.00 20.11 C ATOM 719 CD GLU A 43 2.267 6.028 5.178 1.00 0.03 C ATOM 720 OE1 GLU A 43 3.481 6.314 5.090 1.00 11.41 O ATOM 721 OE2 GLU A 43 1.406 6.602 4.471 1.00 10.33 O ATOM 0 H GLU A 43 0.231 3.025 5.287 1.00 54.43 H new ATOM 0 HA GLU A 43 2.853 3.419 4.023 1.00 1.41 H new ATOM 0 HB2 GLU A 43 2.173 2.996 6.942 1.00 3.13 H new ATOM 0 HB3 GLU A 43 3.589 3.768 6.257 1.00 3.13 H new ATOM 0 HG2 GLU A 43 0.742 4.864 6.154 1.00 20.11 H new ATOM 0 HG3 GLU A 43 2.010 5.420 7.227 1.00 20.11 H new ATOM 728 N LEU A 44 3.541 0.988 3.994 1.00 53.41 N ATOM 729 CA LEU A 44 3.983 -0.417 3.959 1.00 51.13 C ATOM 730 C LEU A 44 5.441 -0.519 4.393 1.00 50.05 C ATOM 731 O LEU A 44 6.131 0.494 4.553 1.00 61.20 O ATOM 732 CB LEU A 44 3.778 -1.046 2.553 1.00 41.24 C ATOM 733 CG LEU A 44 2.354 -0.846 1.918 1.00 31.03 C ATOM 734 CD1 LEU A 44 2.291 0.442 1.083 1.00 53.02 C ATOM 735 CD2 LEU A 44 1.897 -2.063 1.094 1.00 33.44 C ATOM 0 H LEU A 44 3.985 1.579 3.291 1.00 53.41 H new ATOM 0 HA LEU A 44 3.368 -0.982 4.659 1.00 51.13 H new ATOM 0 HB2 LEU A 44 4.520 -0.625 1.875 1.00 41.24 H new ATOM 0 HB3 LEU A 44 3.978 -2.115 2.621 1.00 41.24 H new ATOM 0 HG LEU A 44 1.655 -0.748 2.749 1.00 31.03 H new ATOM 0 HD11 LEU A 44 1.293 0.551 0.658 1.00 53.02 H new ATOM 0 HD12 LEU A 44 2.510 1.299 1.719 1.00 53.02 H new ATOM 0 HD13 LEU A 44 3.025 0.390 0.279 1.00 53.02 H new ATOM 0 HD21 LEU A 44 0.908 -1.871 0.679 1.00 33.44 H new ATOM 0 HD22 LEU A 44 2.603 -2.239 0.283 1.00 33.44 H new ATOM 0 HD23 LEU A 44 1.856 -2.943 1.736 1.00 33.44 H new ATOM 747 N GLU A 45 5.897 -1.755 4.606 1.00 13.50 N ATOM 748 CA GLU A 45 7.272 -2.028 5.013 1.00 20.04 C ATOM 749 C GLU A 45 7.768 -3.299 4.298 1.00 33.13 C ATOM 750 O GLU A 45 7.345 -4.415 4.596 1.00 61.14 O ATOM 751 CB GLU A 45 7.359 -2.141 6.549 1.00 11.33 C ATOM 752 CG GLU A 45 8.800 -2.166 7.090 1.00 1.41 C ATOM 753 CD GLU A 45 8.858 -2.044 8.613 1.00 41.12 C ATOM 754 OE1 GLU A 45 8.686 -3.060 9.296 1.00 32.55 O ATOM 755 OE2 GLU A 45 9.072 -0.930 9.133 1.00 44.45 O ATOM 0 H GLU A 45 5.323 -2.592 4.501 1.00 13.50 H new ATOM 0 HA GLU A 45 7.924 -1.205 4.721 1.00 20.04 H new ATOM 0 HB2 GLU A 45 6.828 -1.301 6.996 1.00 11.33 H new ATOM 0 HB3 GLU A 45 6.846 -3.049 6.867 1.00 11.33 H new ATOM 0 HG2 GLU A 45 9.283 -3.094 6.785 1.00 1.41 H new ATOM 0 HG3 GLU A 45 9.367 -1.350 6.642 1.00 1.41 H new ATOM 762 N LEU A 46 8.658 -3.077 3.333 1.00 12.21 N ATOM 763 CA LEU A 46 9.181 -4.088 2.406 1.00 72.31 C ATOM 764 C LEU A 46 10.680 -4.294 2.702 1.00 31.21 C ATOM 765 O LEU A 46 11.410 -3.315 2.880 1.00 70.33 O ATOM 766 CB LEU A 46 8.887 -3.558 0.959 1.00 23.34 C ATOM 767 CG LEU A 46 9.592 -4.237 -0.272 1.00 1.01 C ATOM 768 CD1 LEU A 46 8.787 -4.026 -1.572 1.00 51.31 C ATOM 769 CD2 LEU A 46 11.028 -3.702 -0.490 1.00 42.33 C ATOM 0 H LEU A 46 9.053 -2.151 3.166 1.00 12.21 H new ATOM 0 HA LEU A 46 8.712 -5.066 2.514 1.00 72.31 H new ATOM 0 HB2 LEU A 46 7.811 -3.627 0.798 1.00 23.34 H new ATOM 0 HB3 LEU A 46 9.145 -2.499 0.940 1.00 23.34 H new ATOM 0 HG LEU A 46 9.641 -5.301 -0.039 1.00 1.01 H new ATOM 0 HD11 LEU A 46 9.303 -4.508 -2.402 1.00 51.31 H new ATOM 0 HD12 LEU A 46 7.794 -4.462 -1.460 1.00 51.31 H new ATOM 0 HD13 LEU A 46 8.694 -2.959 -1.773 1.00 51.31 H new ATOM 0 HD21 LEU A 46 11.475 -4.200 -1.351 1.00 42.33 H new ATOM 0 HD22 LEU A 46 10.993 -2.628 -0.670 1.00 42.33 H new ATOM 0 HD23 LEU A 46 11.629 -3.901 0.397 1.00 42.33 H new ATOM 781 N ARG A 47 11.147 -5.564 2.750 1.00 35.20 N ATOM 782 CA ARG A 47 12.567 -5.880 3.054 1.00 64.52 C ATOM 783 C ARG A 47 13.240 -6.627 1.888 1.00 22.01 C ATOM 784 O ARG A 47 12.998 -7.819 1.694 1.00 72.21 O ATOM 785 CB ARG A 47 12.697 -6.697 4.372 1.00 23.21 C ATOM 786 CG ARG A 47 12.151 -5.985 5.637 1.00 60.41 C ATOM 787 CD ARG A 47 12.644 -6.622 6.949 1.00 71.41 C ATOM 788 NE ARG A 47 14.118 -6.556 7.069 1.00 42.13 N ATOM 789 CZ ARG A 47 14.852 -7.132 8.038 1.00 31.10 C ATOM 790 NH1 ARG A 47 14.279 -7.841 9.012 1.00 64.13 N ATOM 791 NH2 ARG A 47 16.172 -6.989 8.032 1.00 22.15 N ATOM 0 H ARG A 47 10.565 -6.385 2.583 1.00 35.20 H new ATOM 0 HA ARG A 47 13.085 -4.931 3.191 1.00 64.52 H new ATOM 0 HB2 ARG A 47 12.170 -7.643 4.249 1.00 23.21 H new ATOM 0 HB3 ARG A 47 13.748 -6.936 4.532 1.00 23.21 H new ATOM 0 HG2 ARG A 47 12.450 -4.937 5.614 1.00 60.41 H new ATOM 0 HG3 ARG A 47 11.061 -6.006 5.617 1.00 60.41 H new ATOM 0 HD2 ARG A 47 12.187 -6.111 7.796 1.00 71.41 H new ATOM 0 HD3 ARG A 47 12.321 -7.662 6.992 1.00 71.41 H new ATOM 0 HE ARG A 47 14.620 -6.028 6.355 1.00 42.13 H new ATOM 0 HH11 ARG A 47 13.266 -7.955 9.032 1.00 64.13 H new ATOM 0 HH12 ARG A 47 14.854 -8.269 9.737 1.00 64.13 H new ATOM 0 HH21 ARG A 47 16.623 -6.445 7.296 1.00 22.15 H new ATOM 0 HH22 ARG A 47 16.735 -7.423 8.763 1.00 22.15 H new ATOM 805 N THR A 48 14.070 -5.905 1.110 1.00 51.11 N ATOM 806 CA THR A 48 14.841 -6.481 -0.011 1.00 64.04 C ATOM 807 C THR A 48 16.326 -6.593 0.375 1.00 73.51 C ATOM 808 O THR A 48 16.927 -5.591 0.765 1.00 63.35 O ATOM 809 CB THR A 48 14.711 -5.603 -1.300 1.00 11.33 C ATOM 810 OG1 THR A 48 13.332 -5.390 -1.600 1.00 4.21 O ATOM 811 CG2 THR A 48 15.381 -6.250 -2.523 1.00 24.23 C ATOM 0 H THR A 48 14.225 -4.905 1.241 1.00 51.11 H new ATOM 0 HA THR A 48 14.435 -7.471 -0.221 1.00 64.04 H new ATOM 0 HB THR A 48 15.218 -4.660 -1.094 1.00 11.33 H new ATOM 0 HG1 THR A 48 13.138 -5.721 -2.502 1.00 4.21 H new ATOM 0 HG21 THR A 48 15.262 -5.600 -3.390 1.00 24.23 H new ATOM 0 HG22 THR A 48 16.442 -6.395 -2.322 1.00 24.23 H new ATOM 0 HG23 THR A 48 14.915 -7.214 -2.726 1.00 24.23 H new ATOM 819 N ASN A 49 16.886 -7.827 0.284 1.00 30.21 N ATOM 820 CA ASN A 49 18.326 -8.115 0.540 1.00 75.24 C ATOM 821 C ASN A 49 18.730 -7.805 2.001 1.00 71.23 C ATOM 822 O ASN A 49 19.916 -7.663 2.309 1.00 11.53 O ATOM 823 CB ASN A 49 19.241 -7.350 -0.474 1.00 53.22 C ATOM 824 CG ASN A 49 19.066 -7.782 -1.941 1.00 64.33 C ATOM 825 OD1 ASN A 49 18.007 -8.248 -2.359 1.00 3.04 O ATOM 826 ND2 ASN A 49 20.097 -7.601 -2.746 1.00 25.33 N ATOM 0 H ASN A 49 16.350 -8.657 0.030 1.00 30.21 H new ATOM 0 HA ASN A 49 18.472 -9.185 0.389 1.00 75.24 H new ATOM 0 HB2 ASN A 49 19.036 -6.282 -0.396 1.00 53.22 H new ATOM 0 HB3 ASN A 49 20.282 -7.496 -0.187 1.00 53.22 H new ATOM 0 HD21 ASN A 49 20.023 -7.849 -3.733 1.00 25.33 H new ATOM 0 HD22 ASN A 49 20.967 -7.213 -2.381 1.00 25.33 H new ATOM 833 N GLY A 50 17.724 -7.748 2.899 1.00 34.02 N ATOM 834 CA GLY A 50 17.925 -7.390 4.306 1.00 3.21 C ATOM 835 C GLY A 50 17.596 -5.935 4.595 1.00 12.55 C ATOM 836 O GLY A 50 17.309 -5.585 5.744 1.00 3.42 O ATOM 0 H GLY A 50 16.753 -7.950 2.662 1.00 34.02 H new ATOM 0 HA2 GLY A 50 17.303 -8.030 4.932 1.00 3.21 H new ATOM 0 HA3 GLY A 50 18.961 -7.585 4.582 1.00 3.21 H new ATOM 840 N LYS A 51 17.613 -5.089 3.545 1.00 62.01 N ATOM 841 CA LYS A 51 17.289 -3.656 3.653 1.00 72.13 C ATOM 842 C LYS A 51 15.788 -3.464 3.915 1.00 43.11 C ATOM 843 O LYS A 51 14.964 -3.916 3.123 1.00 42.51 O ATOM 844 CB LYS A 51 17.703 -2.934 2.337 1.00 51.43 C ATOM 845 CG LYS A 51 19.232 -2.821 2.127 1.00 32.34 C ATOM 846 CD LYS A 51 19.886 -1.813 3.105 1.00 24.15 C ATOM 847 CE LYS A 51 19.391 -0.370 2.865 1.00 75.45 C ATOM 848 NZ LYS A 51 19.790 0.557 3.952 1.00 22.21 N ATOM 0 H LYS A 51 17.852 -5.383 2.598 1.00 62.01 H new ATOM 0 HA LYS A 51 17.839 -3.226 4.490 1.00 72.13 H new ATOM 0 HB2 LYS A 51 17.270 -3.469 1.491 1.00 51.43 H new ATOM 0 HB3 LYS A 51 17.273 -1.933 2.335 1.00 51.43 H new ATOM 0 HG2 LYS A 51 19.688 -3.802 2.260 1.00 32.34 H new ATOM 0 HG3 LYS A 51 19.434 -2.512 1.101 1.00 32.34 H new ATOM 0 HD2 LYS A 51 19.663 -2.107 4.131 1.00 24.15 H new ATOM 0 HD3 LYS A 51 20.969 -1.848 2.991 1.00 24.15 H new ATOM 0 HE2 LYS A 51 19.789 -0.006 1.918 1.00 75.45 H new ATOM 0 HE3 LYS A 51 18.305 -0.373 2.775 1.00 75.45 H new ATOM 0 HZ1 LYS A 51 19.433 1.511 3.743 1.00 22.21 H new ATOM 0 HZ2 LYS A 51 19.390 0.228 4.854 1.00 22.21 H new ATOM 0 HZ3 LYS A 51 20.827 0.583 4.023 1.00 22.21 H new ATOM 862 N LYS A 52 15.451 -2.756 5.008 1.00 52.41 N ATOM 863 CA LYS A 52 14.058 -2.534 5.425 1.00 33.11 C ATOM 864 C LYS A 52 13.619 -1.116 5.027 1.00 43.41 C ATOM 865 O LYS A 52 13.963 -0.125 5.681 1.00 54.43 O ATOM 866 CB LYS A 52 13.905 -2.764 6.952 1.00 0.00 C ATOM 867 CG LYS A 52 12.447 -2.675 7.464 1.00 23.31 C ATOM 868 CD LYS A 52 12.312 -2.965 8.976 1.00 3.40 C ATOM 869 CE LYS A 52 12.974 -1.892 9.848 1.00 54.11 C ATOM 870 NZ LYS A 52 12.800 -2.171 11.296 1.00 71.52 N ATOM 0 H LYS A 52 16.137 -2.323 5.626 1.00 52.41 H new ATOM 0 HA LYS A 52 13.412 -3.250 4.918 1.00 33.11 H new ATOM 0 HB2 LYS A 52 14.307 -3.746 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.510 -2.028 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.056 -1.679 7.256 1.00 23.31 H new ATOM 0 HG3 LYS A 52 11.830 -3.382 6.909 1.00 23.31 H new ATOM 0 HD2 LYS A 52 11.256 -3.036 9.235 1.00 3.40 H new ATOM 0 HD3 LYS A 52 12.760 -3.934 9.197 1.00 3.40 H new ATOM 0 HE2 LYS A 52 14.037 -1.839 9.614 1.00 54.11 H new ATOM 0 HE3 LYS A 52 12.546 -0.918 9.612 1.00 54.11 H new ATOM 0 HZ1 LYS A 52 13.262 -1.423 11.852 1.00 71.52 H new ATOM 0 HZ2 LYS A 52 11.786 -2.197 11.525 1.00 71.52 H new ATOM 0 HZ3 LYS A 52 13.230 -3.089 11.527 1.00 71.52 H new ATOM 884 N GLU A 53 12.882 -1.037 3.919 1.00 43.25 N ATOM 885 CA GLU A 53 12.438 0.232 3.323 1.00 75.33 C ATOM 886 C GLU A 53 10.932 0.405 3.530 1.00 2.12 C ATOM 887 O GLU A 53 10.144 -0.481 3.183 1.00 73.43 O ATOM 888 CB GLU A 53 12.785 0.228 1.809 1.00 34.50 C ATOM 889 CG GLU A 53 14.280 -0.022 1.503 1.00 11.10 C ATOM 890 CD GLU A 53 15.206 1.106 1.992 1.00 62.31 C ATOM 891 OE1 GLU A 53 15.394 2.099 1.247 1.00 65.31 O ATOM 892 OE2 GLU A 53 15.770 1.001 3.102 1.00 21.42 O ATOM 0 H GLU A 53 12.571 -1.859 3.401 1.00 43.25 H new ATOM 0 HA GLU A 53 12.947 1.067 3.805 1.00 75.33 H new ATOM 0 HB2 GLU A 53 12.191 -0.540 1.313 1.00 34.50 H new ATOM 0 HB3 GLU A 53 12.492 1.185 1.378 1.00 34.50 H new ATOM 0 HG2 GLU A 53 14.586 -0.959 1.968 1.00 11.10 H new ATOM 0 HG3 GLU A 53 14.407 -0.144 0.427 1.00 11.10 H new ATOM 899 N ASN A 54 10.543 1.541 4.122 1.00 12.51 N ATOM 900 CA ASN A 54 9.132 1.948 4.224 1.00 23.15 C ATOM 901 C ASN A 54 8.665 2.538 2.885 1.00 54.30 C ATOM 902 O ASN A 54 9.445 3.155 2.150 1.00 54.10 O ATOM 903 CB ASN A 54 8.931 2.975 5.374 1.00 32.51 C ATOM 904 CG ASN A 54 9.078 2.374 6.772 1.00 51.32 C ATOM 905 OD1 ASN A 54 9.689 2.975 7.659 1.00 44.03 O ATOM 906 ND2 ASN A 54 8.470 1.218 7.006 1.00 63.02 N ATOM 0 H ASN A 54 11.194 2.204 4.543 1.00 12.51 H new ATOM 0 HA ASN A 54 8.531 1.069 4.455 1.00 23.15 H new ATOM 0 HB2 ASN A 54 9.654 3.782 5.258 1.00 32.51 H new ATOM 0 HB3 ASN A 54 7.940 3.419 5.282 1.00 32.51 H new ATOM 0 HD21 ASN A 54 8.501 0.805 7.938 1.00 63.02 H new ATOM 0 HD22 ASN A 54 7.972 0.742 6.254 1.00 63.02 H new ATOM 913 N TYR A 55 7.392 2.308 2.558 1.00 63.00 N ATOM 914 CA TYR A 55 6.754 2.834 1.338 1.00 10.05 C ATOM 915 C TYR A 55 5.404 3.450 1.694 1.00 73.35 C ATOM 916 O TYR A 55 4.914 3.305 2.819 1.00 52.01 O ATOM 917 CB TYR A 55 6.561 1.720 0.275 1.00 60.31 C ATOM 918 CG TYR A 55 7.857 1.156 -0.338 1.00 51.02 C ATOM 919 CD1 TYR A 55 8.300 1.560 -1.605 1.00 74.10 C ATOM 920 CD2 TYR A 55 8.618 0.207 0.333 1.00 5.33 C ATOM 921 CE1 TYR A 55 9.459 1.040 -2.160 1.00 15.22 C ATOM 922 CE2 TYR A 55 9.773 -0.305 -0.216 1.00 44.42 C ATOM 923 CZ TYR A 55 10.189 0.105 -1.460 1.00 14.11 C ATOM 924 OH TYR A 55 11.350 -0.415 -2.005 1.00 61.31 O ATOM 0 H TYR A 55 6.765 1.747 3.134 1.00 63.00 H new ATOM 0 HA TYR A 55 7.407 3.595 0.911 1.00 10.05 H new ATOM 0 HB2 TYR A 55 6.008 0.899 0.731 1.00 60.31 H new ATOM 0 HB3 TYR A 55 5.940 2.114 -0.530 1.00 60.31 H new ATOM 0 HD1 TYR A 55 7.728 2.290 -2.159 1.00 74.10 H new ATOM 0 HD2 TYR A 55 8.297 -0.137 1.305 1.00 5.33 H new ATOM 0 HE1 TYR A 55 9.788 1.366 -3.136 1.00 15.22 H new ATOM 0 HE2 TYR A 55 10.354 -1.031 0.333 1.00 44.42 H new ATOM 0 HH TYR A 55 11.972 -0.652 -1.285 1.00 61.31 H new ATOM 934 N THR A 56 4.813 4.123 0.710 1.00 2.21 N ATOM 935 CA THR A 56 3.501 4.740 0.825 1.00 55.32 C ATOM 936 C THR A 56 2.773 4.563 -0.506 1.00 14.23 C ATOM 937 O THR A 56 3.091 5.234 -1.495 1.00 15.22 O ATOM 938 CB THR A 56 3.615 6.258 1.159 1.00 22.44 C ATOM 939 OG1 THR A 56 4.364 6.444 2.367 1.00 34.53 O ATOM 940 CG2 THR A 56 2.233 6.917 1.276 1.00 41.24 C ATOM 0 H THR A 56 5.243 4.255 -0.205 1.00 2.21 H new ATOM 0 HA THR A 56 2.952 4.262 1.636 1.00 55.32 H new ATOM 0 HB THR A 56 4.141 6.743 0.336 1.00 22.44 H new ATOM 0 HG1 THR A 56 3.791 6.257 3.139 1.00 34.53 H new ATOM 0 HG21 THR A 56 2.353 7.975 1.510 1.00 41.24 H new ATOM 0 HG22 THR A 56 1.699 6.812 0.332 1.00 41.24 H new ATOM 0 HG23 THR A 56 1.665 6.432 2.070 1.00 41.24 H new ATOM 948 N VAL A 57 1.822 3.638 -0.545 1.00 20.54 N ATOM 949 CA VAL A 57 0.972 3.458 -1.720 1.00 65.24 C ATOM 950 C VAL A 57 -0.355 4.165 -1.447 1.00 45.24 C ATOM 951 O VAL A 57 -1.182 3.708 -0.645 1.00 70.35 O ATOM 952 CB VAL A 57 0.771 1.947 -2.096 1.00 72.04 C ATOM 953 CG1 VAL A 57 -0.197 1.797 -3.283 1.00 72.14 C ATOM 954 CG2 VAL A 57 2.129 1.274 -2.422 1.00 71.44 C ATOM 0 H VAL A 57 1.618 2.999 0.224 1.00 20.54 H new ATOM 0 HA VAL A 57 1.458 3.899 -2.590 1.00 65.24 H new ATOM 0 HB VAL A 57 0.334 1.446 -1.232 1.00 72.04 H new ATOM 0 HG11 VAL A 57 -0.318 0.741 -3.522 1.00 72.14 H new ATOM 0 HG12 VAL A 57 -1.165 2.223 -3.019 1.00 72.14 H new ATOM 0 HG13 VAL A 57 0.206 2.321 -4.149 1.00 72.14 H new ATOM 0 HG21 VAL A 57 1.964 0.228 -2.679 1.00 71.44 H new ATOM 0 HG22 VAL A 57 2.596 1.786 -3.264 1.00 71.44 H new ATOM 0 HG23 VAL A 57 2.783 1.335 -1.552 1.00 71.44 H new ATOM 964 N GLU A 58 -0.497 5.320 -2.095 1.00 61.52 N ATOM 965 CA GLU A 58 -1.645 6.212 -1.965 1.00 33.13 C ATOM 966 C GLU A 58 -2.765 5.705 -2.881 1.00 21.23 C ATOM 967 O GLU A 58 -2.728 5.905 -4.103 1.00 32.12 O ATOM 968 CB GLU A 58 -1.195 7.648 -2.346 1.00 5.13 C ATOM 969 CG GLU A 58 -0.026 8.176 -1.478 1.00 31.20 C ATOM 970 CD GLU A 58 0.651 9.431 -2.043 1.00 1.42 C ATOM 971 OE1 GLU A 58 1.830 9.365 -2.445 1.00 10.23 O ATOM 972 OE2 GLU A 58 0.010 10.493 -2.083 1.00 20.32 O ATOM 0 H GLU A 58 0.207 5.671 -2.745 1.00 61.52 H new ATOM 0 HA GLU A 58 -2.024 6.230 -0.943 1.00 33.13 H new ATOM 0 HB2 GLU A 58 -0.895 7.661 -3.394 1.00 5.13 H new ATOM 0 HB3 GLU A 58 -2.044 8.325 -2.250 1.00 5.13 H new ATOM 0 HG2 GLU A 58 -0.400 8.396 -0.478 1.00 31.20 H new ATOM 0 HG3 GLU A 58 0.720 7.388 -1.373 1.00 31.20 H new ATOM 979 N VAL A 59 -3.726 5.009 -2.276 1.00 74.40 N ATOM 980 CA VAL A 59 -4.858 4.386 -2.974 1.00 32.43 C ATOM 981 C VAL A 59 -6.104 5.273 -2.806 1.00 1.31 C ATOM 982 O VAL A 59 -6.235 5.977 -1.807 1.00 32.41 O ATOM 983 CB VAL A 59 -5.116 2.939 -2.405 1.00 41.12 C ATOM 984 CG1 VAL A 59 -6.203 2.188 -3.201 1.00 74.42 C ATOM 985 CG2 VAL A 59 -3.809 2.111 -2.366 1.00 72.31 C ATOM 0 H VAL A 59 -3.743 4.857 -1.267 1.00 74.40 H new ATOM 0 HA VAL A 59 -4.630 4.293 -4.036 1.00 32.43 H new ATOM 0 HB VAL A 59 -5.479 3.063 -1.385 1.00 41.12 H new ATOM 0 HG11 VAL A 59 -6.347 1.196 -2.773 1.00 74.42 H new ATOM 0 HG12 VAL A 59 -7.139 2.744 -3.152 1.00 74.42 H new ATOM 0 HG13 VAL A 59 -5.892 2.093 -4.241 1.00 74.42 H new ATOM 0 HG21 VAL A 59 -4.019 1.118 -1.969 1.00 72.31 H new ATOM 0 HG22 VAL A 59 -3.405 2.021 -3.374 1.00 72.31 H new ATOM 0 HG23 VAL A 59 -3.081 2.611 -1.727 1.00 72.31 H new ATOM 995 N GLU A 60 -7.013 5.230 -3.782 1.00 42.51 N ATOM 996 CA GLU A 60 -8.199 6.091 -3.820 1.00 22.55 C ATOM 997 C GLU A 60 -9.365 5.300 -4.439 1.00 23.43 C ATOM 998 O GLU A 60 -9.184 4.618 -5.454 1.00 63.23 O ATOM 999 CB GLU A 60 -7.897 7.352 -4.658 1.00 55.22 C ATOM 1000 CG GLU A 60 -9.010 8.417 -4.636 1.00 71.21 C ATOM 1001 CD GLU A 60 -8.811 9.507 -5.689 1.00 20.45 C ATOM 1002 OE1 GLU A 60 -7.772 10.202 -5.651 1.00 0.53 O ATOM 1003 OE2 GLU A 60 -9.667 9.647 -6.587 1.00 14.15 O ATOM 0 H GLU A 60 -6.947 4.592 -4.575 1.00 42.51 H new ATOM 0 HA GLU A 60 -8.470 6.403 -2.811 1.00 22.55 H new ATOM 0 HB2 GLU A 60 -6.974 7.802 -4.293 1.00 55.22 H new ATOM 0 HB3 GLU A 60 -7.719 7.052 -5.691 1.00 55.22 H new ATOM 0 HG2 GLU A 60 -9.973 7.933 -4.799 1.00 71.21 H new ATOM 0 HG3 GLU A 60 -9.047 8.876 -3.648 1.00 71.21 H new ATOM 1010 N ARG A 61 -10.553 5.399 -3.828 1.00 51.32 N ATOM 1011 CA ARG A 61 -11.721 4.591 -4.206 1.00 23.44 C ATOM 1012 C ARG A 61 -12.434 5.155 -5.436 1.00 73.13 C ATOM 1013 O ARG A 61 -12.691 6.357 -5.521 1.00 35.43 O ATOM 1014 CB ARG A 61 -12.696 4.489 -3.017 1.00 24.33 C ATOM 1015 CG ARG A 61 -13.973 3.649 -3.291 1.00 4.23 C ATOM 1016 CD ARG A 61 -14.550 3.031 -2.022 1.00 52.52 C ATOM 1017 NE ARG A 61 -14.897 4.030 -0.997 1.00 64.22 N ATOM 1018 CZ ARG A 61 -15.127 3.750 0.297 1.00 12.43 C ATOM 1019 NH1 ARG A 61 -15.051 2.501 0.746 1.00 33.04 N ATOM 1020 NH2 ARG A 61 -15.419 4.732 1.134 1.00 51.14 N ATOM 0 H ARG A 61 -10.732 6.042 -3.057 1.00 51.32 H new ATOM 0 HA ARG A 61 -11.365 3.595 -4.469 1.00 23.44 H new ATOM 0 HB2 ARG A 61 -12.168 4.054 -2.168 1.00 24.33 H new ATOM 0 HB3 ARG A 61 -12.996 5.495 -2.724 1.00 24.33 H new ATOM 0 HG2 ARG A 61 -14.727 4.282 -3.758 1.00 4.23 H new ATOM 0 HG3 ARG A 61 -13.737 2.857 -4.002 1.00 4.23 H new ATOM 0 HD2 ARG A 61 -15.441 2.457 -2.277 1.00 52.52 H new ATOM 0 HD3 ARG A 61 -13.827 2.329 -1.606 1.00 52.52 H new ATOM 0 HE ARG A 61 -14.968 5.004 -1.290 1.00 64.22 H new ATOM 0 HH11 ARG A 61 -14.816 1.742 0.106 1.00 33.04 H new ATOM 0 HH12 ARG A 61 -15.228 2.301 1.731 1.00 33.04 H new ATOM 0 HH21 ARG A 61 -15.468 5.693 0.796 1.00 51.14 H new ATOM 0 HH22 ARG A 61 -15.595 4.528 2.118 1.00 51.14 H new ATOM 1034 N GLN A 62 -12.744 4.256 -6.377 1.00 30.32 N ATOM 1035 CA GLN A 62 -13.511 4.555 -7.597 1.00 71.02 C ATOM 1036 C GLN A 62 -14.760 3.660 -7.589 1.00 21.10 C ATOM 1037 O GLN A 62 -14.646 2.432 -7.738 1.00 52.22 O ATOM 1038 CB GLN A 62 -12.635 4.286 -8.860 1.00 43.22 C ATOM 1039 CG GLN A 62 -11.240 4.941 -8.823 1.00 65.45 C ATOM 1040 CD GLN A 62 -11.257 6.454 -8.545 1.00 62.11 C ATOM 1041 OE1 GLN A 62 -12.170 7.178 -8.943 1.00 25.11 O ATOM 1042 NE2 GLN A 62 -10.257 6.940 -7.827 1.00 73.04 N ATOM 0 H GLN A 62 -12.463 3.278 -6.312 1.00 30.32 H new ATOM 0 HA GLN A 62 -13.806 5.604 -7.624 1.00 71.02 H new ATOM 0 HB2 GLN A 62 -12.514 3.209 -8.980 1.00 43.22 H new ATOM 0 HB3 GLN A 62 -13.168 4.646 -9.740 1.00 43.22 H new ATOM 0 HG2 GLN A 62 -10.641 4.449 -8.056 1.00 65.45 H new ATOM 0 HG3 GLN A 62 -10.743 4.765 -9.777 1.00 65.45 H new ATOM 0 HE21 GLN A 62 -9.511 6.322 -7.508 1.00 73.04 H new ATOM 0 HE22 GLN A 62 -10.232 7.932 -7.593 1.00 73.04 H new ATOM 1051 N GLY A 63 -15.937 4.273 -7.373 1.00 41.23 N ATOM 1052 CA GLY A 63 -17.173 3.528 -7.160 1.00 30.11 C ATOM 1053 C GLY A 63 -17.129 2.779 -5.835 1.00 43.45 C ATOM 1054 O GLY A 63 -17.215 3.397 -4.773 1.00 73.33 O ATOM 0 H GLY A 63 -16.050 5.286 -7.343 1.00 41.23 H new ATOM 0 HA2 GLY A 63 -18.022 4.212 -7.169 1.00 30.11 H new ATOM 0 HA3 GLY A 63 -17.324 2.823 -7.977 1.00 30.11 H new ATOM 1058 N ASN A 64 -16.958 1.450 -5.905 1.00 32.03 N ATOM 1059 CA ASN A 64 -16.728 0.588 -4.728 1.00 25.30 C ATOM 1060 C ASN A 64 -15.283 0.055 -4.739 1.00 50.44 C ATOM 1061 O ASN A 64 -14.698 -0.212 -3.682 1.00 1.12 O ATOM 1062 CB ASN A 64 -17.738 -0.589 -4.722 1.00 14.10 C ATOM 1063 CG ASN A 64 -17.636 -1.486 -3.475 1.00 44.54 C ATOM 1064 OD1 ASN A 64 -17.268 -1.038 -2.385 1.00 3.04 O ATOM 1065 ND2 ASN A 64 -17.973 -2.748 -3.617 1.00 24.40 N ATOM 0 H ASN A 64 -16.975 0.936 -6.786 1.00 32.03 H new ATOM 0 HA ASN A 64 -16.876 1.177 -3.823 1.00 25.30 H new ATOM 0 HB2 ASN A 64 -18.750 -0.188 -4.789 1.00 14.10 H new ATOM 0 HB3 ASN A 64 -17.577 -1.199 -5.611 1.00 14.10 H new ATOM 0 HD21 ASN A 64 -17.934 -3.380 -2.817 1.00 24.40 H new ATOM 0 HD22 ASN A 64 -18.274 -3.096 -4.527 1.00 24.40 H new ATOM 1072 N THR A 65 -14.699 -0.061 -5.949 1.00 14.33 N ATOM 1073 CA THR A 65 -13.342 -0.613 -6.142 1.00 73.12 C ATOM 1074 C THR A 65 -12.275 0.429 -5.773 1.00 71.42 C ATOM 1075 O THR A 65 -12.599 1.578 -5.494 1.00 71.34 O ATOM 1076 CB THR A 65 -13.135 -1.109 -7.613 1.00 73.13 C ATOM 1077 OG1 THR A 65 -13.489 -0.076 -8.547 1.00 24.14 O ATOM 1078 CG2 THR A 65 -13.961 -2.374 -7.904 1.00 51.22 C ATOM 0 H THR A 65 -15.153 0.224 -6.817 1.00 14.33 H new ATOM 0 HA THR A 65 -13.235 -1.471 -5.478 1.00 73.12 H new ATOM 0 HB THR A 65 -12.079 -1.355 -7.728 1.00 73.13 H new ATOM 0 HG1 THR A 65 -13.715 0.743 -8.059 1.00 24.14 H new ATOM 0 HG21 THR A 65 -13.793 -2.690 -8.934 1.00 51.22 H new ATOM 0 HG22 THR A 65 -13.657 -3.171 -7.226 1.00 51.22 H new ATOM 0 HG23 THR A 65 -15.020 -2.159 -7.759 1.00 51.22 H new ATOM 1086 N TRP A 66 -10.998 0.013 -5.753 1.00 71.14 N ATOM 1087 CA TRP A 66 -9.869 0.871 -5.331 1.00 14.35 C ATOM 1088 C TRP A 66 -8.790 0.911 -6.424 1.00 0.35 C ATOM 1089 O TRP A 66 -8.595 -0.075 -7.140 1.00 70.30 O ATOM 1090 CB TRP A 66 -9.285 0.333 -3.998 1.00 63.42 C ATOM 1091 CG TRP A 66 -10.236 0.457 -2.825 1.00 20.31 C ATOM 1092 CD1 TRP A 66 -11.208 -0.430 -2.440 1.00 13.41 C ATOM 1093 CD2 TRP A 66 -10.305 1.547 -1.893 1.00 42.41 C ATOM 1094 NE1 TRP A 66 -11.862 0.041 -1.332 1.00 3.14 N ATOM 1095 CE2 TRP A 66 -11.325 1.245 -0.976 1.00 23.31 C ATOM 1096 CE3 TRP A 66 -9.593 2.742 -1.736 1.00 65.43 C ATOM 1097 CZ2 TRP A 66 -11.656 2.092 0.070 1.00 61.31 C ATOM 1098 CZ3 TRP A 66 -9.926 3.585 -0.694 1.00 32.12 C ATOM 1099 CH2 TRP A 66 -10.947 3.254 0.203 1.00 53.10 C ATOM 0 H TRP A 66 -10.715 -0.927 -6.028 1.00 71.14 H new ATOM 0 HA TRP A 66 -10.226 1.889 -5.176 1.00 14.35 H new ATOM 0 HB2 TRP A 66 -9.014 -0.715 -4.126 1.00 63.42 H new ATOM 0 HB3 TRP A 66 -8.367 0.874 -3.769 1.00 63.42 H new ATOM 0 HD1 TRP A 66 -11.426 -1.363 -2.937 1.00 13.41 H new ATOM 0 HE1 TRP A 66 -12.627 -0.432 -0.851 1.00 3.14 H new ATOM 0 HE3 TRP A 66 -8.797 3.000 -2.418 1.00 65.43 H new ATOM 0 HZ2 TRP A 66 -12.449 1.842 0.759 1.00 61.31 H new ATOM 0 HZ3 TRP A 66 -9.390 4.514 -0.570 1.00 32.12 H new ATOM 0 HH2 TRP A 66 -11.179 3.928 1.015 1.00 53.10 H new ATOM 1110 N THR A 67 -8.102 2.061 -6.560 1.00 31.43 N ATOM 1111 CA THR A 67 -7.031 2.239 -7.554 1.00 0.10 C ATOM 1112 C THR A 67 -5.844 2.994 -6.924 1.00 62.30 C ATOM 1113 O THR A 67 -6.033 3.881 -6.091 1.00 64.15 O ATOM 1114 CB THR A 67 -7.549 3.000 -8.833 1.00 11.35 C ATOM 1115 OG1 THR A 67 -6.612 2.838 -9.911 1.00 53.21 O ATOM 1116 CG2 THR A 67 -7.766 4.508 -8.589 1.00 33.40 C ATOM 0 H THR A 67 -8.273 2.887 -5.987 1.00 31.43 H new ATOM 0 HA THR A 67 -6.699 1.250 -7.870 1.00 0.10 H new ATOM 0 HB THR A 67 -8.514 2.561 -9.086 1.00 11.35 H new ATOM 0 HG1 THR A 67 -6.940 3.312 -10.704 1.00 53.21 H new ATOM 0 HG21 THR A 67 -8.123 4.977 -9.506 1.00 33.40 H new ATOM 0 HG22 THR A 67 -8.505 4.646 -7.799 1.00 33.40 H new ATOM 0 HG23 THR A 67 -6.824 4.967 -8.289 1.00 33.40 H new ATOM 1124 N VAL A 68 -4.627 2.626 -7.325 1.00 52.41 N ATOM 1125 CA VAL A 68 -3.398 3.282 -6.861 1.00 53.05 C ATOM 1126 C VAL A 68 -3.139 4.546 -7.687 1.00 61.21 C ATOM 1127 O VAL A 68 -2.986 4.474 -8.911 1.00 43.12 O ATOM 1128 CB VAL A 68 -2.180 2.298 -6.958 1.00 4.22 C ATOM 1129 CG1 VAL A 68 -0.836 2.993 -6.615 1.00 61.14 C ATOM 1130 CG2 VAL A 68 -2.428 1.063 -6.063 1.00 15.41 C ATOM 0 H VAL A 68 -4.462 1.863 -7.982 1.00 52.41 H new ATOM 0 HA VAL A 68 -3.522 3.566 -5.816 1.00 53.05 H new ATOM 0 HB VAL A 68 -2.095 1.967 -7.993 1.00 4.22 H new ATOM 0 HG11 VAL A 68 -0.023 2.272 -6.696 1.00 61.14 H new ATOM 0 HG12 VAL A 68 -0.663 3.814 -7.310 1.00 61.14 H new ATOM 0 HG13 VAL A 68 -0.877 3.382 -5.597 1.00 61.14 H new ATOM 0 HG21 VAL A 68 -1.578 0.384 -6.136 1.00 15.41 H new ATOM 0 HG22 VAL A 68 -2.550 1.382 -5.028 1.00 15.41 H new ATOM 0 HG23 VAL A 68 -3.331 0.550 -6.393 1.00 15.41 H new ATOM 1140 N LYS A 69 -3.124 5.701 -7.008 1.00 31.52 N ATOM 1141 CA LYS A 69 -2.838 7.001 -7.643 1.00 2.41 C ATOM 1142 C LYS A 69 -1.334 7.306 -7.648 1.00 31.35 C ATOM 1143 O LYS A 69 -0.844 7.981 -8.565 1.00 24.04 O ATOM 1144 CB LYS A 69 -3.625 8.142 -6.940 1.00 55.33 C ATOM 1145 CG LYS A 69 -5.155 8.079 -7.139 1.00 21.33 C ATOM 1146 CD LYS A 69 -5.553 8.028 -8.634 1.00 75.40 C ATOM 1147 CE LYS A 69 -7.066 8.144 -8.861 1.00 54.11 C ATOM 1148 NZ LYS A 69 -7.578 9.507 -8.563 1.00 14.12 N ATOM 0 H LYS A 69 -3.309 5.764 -6.007 1.00 31.52 H new ATOM 0 HA LYS A 69 -3.168 6.940 -8.680 1.00 2.41 H new ATOM 0 HB2 LYS A 69 -3.408 8.112 -5.872 1.00 55.33 H new ATOM 0 HB3 LYS A 69 -3.262 9.100 -7.312 1.00 55.33 H new ATOM 0 HG2 LYS A 69 -5.549 7.199 -6.631 1.00 21.33 H new ATOM 0 HG3 LYS A 69 -5.616 8.950 -6.672 1.00 21.33 H new ATOM 0 HD2 LYS A 69 -5.049 8.836 -9.165 1.00 75.40 H new ATOM 0 HD3 LYS A 69 -5.198 7.092 -9.066 1.00 75.40 H new ATOM 0 HE2 LYS A 69 -7.296 7.890 -9.896 1.00 54.11 H new ATOM 0 HE3 LYS A 69 -7.582 7.419 -8.232 1.00 54.11 H new ATOM 0 HZ1 LYS A 69 -8.518 9.436 -8.123 1.00 14.12 H new ATOM 0 HZ2 LYS A 69 -6.926 9.988 -7.911 1.00 14.12 H new ATOM 0 HZ3 LYS A 69 -7.650 10.052 -9.446 1.00 14.12 H new ATOM 1162 N ARG A 70 -0.601 6.813 -6.625 1.00 62.25 N ATOM 1163 CA ARG A 70 0.848 7.068 -6.505 1.00 54.01 C ATOM 1164 C ARG A 70 1.528 6.016 -5.614 1.00 42.33 C ATOM 1165 O ARG A 70 0.985 5.628 -4.577 1.00 53.05 O ATOM 1166 CB ARG A 70 1.090 8.503 -5.943 1.00 42.23 C ATOM 1167 CG ARG A 70 2.551 9.002 -6.062 1.00 10.34 C ATOM 1168 CD ARG A 70 2.729 10.448 -5.566 1.00 51.11 C ATOM 1169 NE ARG A 70 4.054 11.000 -5.909 1.00 63.22 N ATOM 1170 CZ ARG A 70 5.133 10.999 -5.112 1.00 4.32 C ATOM 1171 NH1 ARG A 70 5.086 10.477 -3.893 1.00 35.21 N ATOM 1172 NH2 ARG A 70 6.268 11.531 -5.548 1.00 24.33 N ATOM 0 H ARG A 70 -0.988 6.240 -5.876 1.00 62.25 H new ATOM 0 HA ARG A 70 1.292 6.995 -7.498 1.00 54.01 H new ATOM 0 HB2 ARG A 70 0.438 9.200 -6.469 1.00 42.23 H new ATOM 0 HB3 ARG A 70 0.797 8.522 -4.893 1.00 42.23 H new ATOM 0 HG2 ARG A 70 3.203 8.343 -5.489 1.00 10.34 H new ATOM 0 HG3 ARG A 70 2.868 8.938 -7.103 1.00 10.34 H new ATOM 0 HD2 ARG A 70 1.952 11.077 -6.001 1.00 51.11 H new ATOM 0 HD3 ARG A 70 2.595 10.478 -4.485 1.00 51.11 H new ATOM 0 HE ARG A 70 4.158 11.419 -6.833 1.00 63.22 H new ATOM 0 HH11 ARG A 70 4.219 10.067 -3.547 1.00 35.21 H new ATOM 0 HH12 ARG A 70 5.917 10.486 -3.302 1.00 35.21 H new ATOM 0 HH21 ARG A 70 6.315 11.937 -6.483 1.00 24.33 H new ATOM 0 HH22 ARG A 70 7.093 11.534 -4.948 1.00 24.33 H new ATOM 1186 N ILE A 71 2.705 5.544 -6.054 1.00 4.11 N ATOM 1187 CA ILE A 71 3.615 4.734 -5.232 1.00 42.40 C ATOM 1188 C ILE A 71 4.769 5.643 -4.763 1.00 3.12 C ATOM 1189 O ILE A 71 5.371 6.365 -5.573 1.00 64.15 O ATOM 1190 CB ILE A 71 4.198 3.505 -6.027 1.00 12.03 C ATOM 1191 CG1 ILE A 71 3.053 2.602 -6.584 1.00 40.34 C ATOM 1192 CG2 ILE A 71 5.162 2.678 -5.136 1.00 61.13 C ATOM 1193 CD1 ILE A 71 3.524 1.481 -7.497 1.00 43.35 C ATOM 0 H ILE A 71 3.054 5.716 -6.997 1.00 4.11 H new ATOM 0 HA ILE A 71 3.059 4.332 -4.385 1.00 42.40 H new ATOM 0 HB ILE A 71 4.764 3.894 -6.874 1.00 12.03 H new ATOM 0 HG12 ILE A 71 2.510 2.167 -5.745 1.00 40.34 H new ATOM 0 HG13 ILE A 71 2.347 3.227 -7.131 1.00 40.34 H new ATOM 0 HG21 ILE A 71 5.552 1.835 -5.707 1.00 61.13 H new ATOM 0 HG22 ILE A 71 5.989 3.309 -4.811 1.00 61.13 H new ATOM 0 HG23 ILE A 71 4.624 2.308 -4.264 1.00 61.13 H new ATOM 0 HD11 ILE A 71 2.664 0.904 -7.838 1.00 43.35 H new ATOM 0 HD12 ILE A 71 4.041 1.906 -8.358 1.00 43.35 H new ATOM 0 HD13 ILE A 71 4.205 0.829 -6.951 1.00 43.35 H new ATOM 1205 N THR A 72 5.061 5.602 -3.464 1.00 24.22 N ATOM 1206 CA THR A 72 6.090 6.434 -2.821 1.00 32.23 C ATOM 1207 C THR A 72 7.033 5.527 -2.012 1.00 21.15 C ATOM 1208 O THR A 72 6.630 4.461 -1.560 1.00 22.42 O ATOM 1209 CB THR A 72 5.412 7.492 -1.884 1.00 42.54 C ATOM 1210 OG1 THR A 72 4.409 8.207 -2.620 1.00 35.01 O ATOM 1211 CG2 THR A 72 6.408 8.497 -1.275 1.00 43.13 C ATOM 0 H THR A 72 4.583 4.980 -2.812 1.00 24.22 H new ATOM 0 HA THR A 72 6.664 6.965 -3.580 1.00 32.23 H new ATOM 0 HB THR A 72 4.971 6.940 -1.054 1.00 42.54 H new ATOM 0 HG1 THR A 72 3.631 8.364 -2.045 1.00 35.01 H new ATOM 0 HG21 THR A 72 5.872 9.200 -0.638 1.00 43.13 H new ATOM 0 HG22 THR A 72 7.148 7.961 -0.681 1.00 43.13 H new ATOM 0 HG23 THR A 72 6.910 9.042 -2.075 1.00 43.13 H new ATOM 1219 N ARG A 73 8.296 5.941 -1.882 1.00 12.55 N ATOM 1220 CA ARG A 73 9.308 5.258 -1.057 1.00 34.31 C ATOM 1221 C ARG A 73 9.922 6.281 -0.085 1.00 73.12 C ATOM 1222 O ARG A 73 10.063 7.461 -0.446 1.00 22.12 O ATOM 1223 CB ARG A 73 10.399 4.657 -1.978 1.00 75.34 C ATOM 1224 CG ARG A 73 11.550 3.938 -1.241 1.00 5.33 C ATOM 1225 CD ARG A 73 12.646 3.450 -2.196 1.00 51.33 C ATOM 1226 NE ARG A 73 13.276 4.557 -2.943 1.00 14.10 N ATOM 1227 CZ ARG A 73 14.523 4.552 -3.443 1.00 24.13 C ATOM 1228 NH1 ARG A 73 15.325 3.499 -3.294 1.00 25.35 N ATOM 1229 NH2 ARG A 73 14.957 5.618 -4.096 1.00 23.50 N ATOM 0 H ARG A 73 8.654 6.772 -2.352 1.00 12.55 H new ATOM 0 HA ARG A 73 8.853 4.449 -0.486 1.00 34.31 H new ATOM 0 HB2 ARG A 73 9.928 3.951 -2.662 1.00 75.34 H new ATOM 0 HB3 ARG A 73 10.821 5.457 -2.587 1.00 75.34 H new ATOM 0 HG2 ARG A 73 11.987 4.616 -0.508 1.00 5.33 H new ATOM 0 HG3 ARG A 73 11.149 3.088 -0.689 1.00 5.33 H new ATOM 0 HD2 ARG A 73 13.409 2.918 -1.628 1.00 51.33 H new ATOM 0 HD3 ARG A 73 12.219 2.737 -2.901 1.00 51.33 H new ATOM 0 HE ARG A 73 12.717 5.397 -3.092 1.00 14.10 H new ATOM 0 HH11 ARG A 73 14.996 2.674 -2.792 1.00 25.35 H new ATOM 0 HH12 ARG A 73 16.268 3.517 -3.682 1.00 25.35 H new ATOM 0 HH21 ARG A 73 14.347 6.427 -4.213 1.00 23.50 H new ATOM 0 HH22 ARG A 73 15.901 5.630 -4.482 1.00 23.50 H new ATOM 1243 N THR A 74 10.274 5.842 1.139 1.00 12.34 N ATOM 1244 CA THR A 74 10.925 6.708 2.128 1.00 54.21 C ATOM 1245 C THR A 74 12.368 7.034 1.679 1.00 24.22 C ATOM 1246 O THR A 74 13.124 6.145 1.253 1.00 1.12 O ATOM 1247 CB THR A 74 10.931 6.073 3.569 1.00 34.44 C ATOM 1248 OG1 THR A 74 11.438 7.025 4.513 1.00 33.34 O ATOM 1249 CG2 THR A 74 11.765 4.778 3.669 1.00 20.00 C ATOM 0 H THR A 74 10.115 4.888 1.463 1.00 12.34 H new ATOM 0 HA THR A 74 10.345 7.629 2.186 1.00 54.21 H new ATOM 0 HB THR A 74 9.897 5.808 3.792 1.00 34.44 H new ATOM 0 HG1 THR A 74 11.439 6.628 5.409 1.00 33.34 H new ATOM 0 HG21 THR A 74 11.724 4.397 4.689 1.00 20.00 H new ATOM 0 HG22 THR A 74 11.361 4.031 2.986 1.00 20.00 H new ATOM 0 HG23 THR A 74 12.800 4.991 3.403 1.00 20.00 H new ATOM 1257 N VAL A 75 12.718 8.319 1.712 1.00 72.41 N ATOM 1258 CA VAL A 75 14.089 8.781 1.467 1.00 23.13 C ATOM 1259 C VAL A 75 14.746 9.088 2.828 1.00 42.31 C ATOM 1260 O VAL A 75 14.430 10.082 3.481 1.00 14.01 O ATOM 1261 CB VAL A 75 14.122 10.010 0.476 1.00 1.01 C ATOM 1262 CG1 VAL A 75 13.111 11.116 0.873 1.00 24.02 C ATOM 1263 CG2 VAL A 75 15.561 10.572 0.322 1.00 14.34 C ATOM 0 H VAL A 75 12.060 9.073 1.910 1.00 72.41 H new ATOM 0 HA VAL A 75 14.664 8.000 0.969 1.00 23.13 H new ATOM 0 HB VAL A 75 13.806 9.640 -0.500 1.00 1.01 H new ATOM 0 HG11 VAL A 75 13.173 11.938 0.160 1.00 24.02 H new ATOM 0 HG12 VAL A 75 12.101 10.705 0.866 1.00 24.02 H new ATOM 0 HG13 VAL A 75 13.347 11.483 1.872 1.00 24.02 H new ATOM 0 HG21 VAL A 75 15.550 11.417 -0.366 1.00 14.34 H new ATOM 0 HG22 VAL A 75 15.929 10.901 1.294 1.00 14.34 H new ATOM 0 HG23 VAL A 75 16.216 9.793 -0.070 1.00 14.34 H new ATOM 1273 N GLY A 76 15.622 8.173 3.278 1.00 52.42 N ATOM 1274 CA GLY A 76 16.343 8.316 4.553 1.00 10.13 C ATOM 1275 C GLY A 76 17.835 8.126 4.377 1.00 5.22 C ATOM 1276 O GLY A 76 18.522 7.674 5.296 1.00 41.54 O ATOM 0 H GLY A 76 15.849 7.318 2.770 1.00 52.42 H new ATOM 0 HA2 GLY A 76 16.149 9.303 4.972 1.00 10.13 H new ATOM 0 HA3 GLY A 76 15.965 7.586 5.269 1.00 10.13 H new ATOM 1280 N SER A 77 18.328 8.480 3.181 1.00 42.35 N ATOM 1281 CA SER A 77 19.736 8.301 2.793 1.00 74.30 C ATOM 1282 C SER A 77 20.233 9.550 2.063 1.00 64.04 C ATOM 1283 O SER A 77 19.442 10.249 1.412 1.00 24.11 O ATOM 1284 CB SER A 77 19.875 7.050 1.889 1.00 3.20 C ATOM 1285 OG SER A 77 19.420 5.879 2.556 1.00 71.40 O ATOM 0 H SER A 77 17.756 8.902 2.449 1.00 42.35 H new ATOM 0 HA SER A 77 20.344 8.154 3.686 1.00 74.30 H new ATOM 0 HB2 SER A 77 19.303 7.195 0.973 1.00 3.20 H new ATOM 0 HB3 SER A 77 20.918 6.923 1.597 1.00 3.20 H new ATOM 0 HG SER A 77 19.518 5.106 1.962 1.00 71.40 H new ATOM 1291 N LEU A 78 21.546 9.826 2.187 1.00 43.12 N ATOM 1292 CA LEU A 78 22.198 10.953 1.508 1.00 54.31 C ATOM 1293 C LEU A 78 22.345 10.638 0.008 1.00 21.51 C ATOM 1294 O LEU A 78 23.183 9.816 -0.392 1.00 51.54 O ATOM 1295 CB LEU A 78 23.585 11.258 2.140 1.00 2.50 C ATOM 1296 CG LEU A 78 24.370 12.460 1.503 1.00 14.44 C ATOM 1297 CD1 LEU A 78 23.587 13.780 1.637 1.00 31.11 C ATOM 1298 CD2 LEU A 78 25.785 12.585 2.100 1.00 4.42 C ATOM 0 H LEU A 78 22.181 9.271 2.762 1.00 43.12 H new ATOM 0 HA LEU A 78 21.576 11.840 1.628 1.00 54.31 H new ATOM 0 HB2 LEU A 78 23.444 11.461 3.202 1.00 2.50 H new ATOM 0 HB3 LEU A 78 24.203 10.363 2.066 1.00 2.50 H new ATOM 0 HG LEU A 78 24.479 12.251 0.439 1.00 14.44 H new ATOM 0 HD11 LEU A 78 24.160 14.590 1.186 1.00 31.11 H new ATOM 0 HD12 LEU A 78 22.627 13.687 1.129 1.00 31.11 H new ATOM 0 HD13 LEU A 78 23.419 13.998 2.692 1.00 31.11 H new ATOM 0 HD21 LEU A 78 26.302 13.426 1.638 1.00 4.42 H new ATOM 0 HD22 LEU A 78 25.713 12.749 3.175 1.00 4.42 H new ATOM 0 HD23 LEU A 78 26.342 11.668 1.910 1.00 4.42 H new ATOM 1310 N GLU A 79 21.487 11.266 -0.794 1.00 50.11 N ATOM 1311 CA GLU A 79 21.517 11.170 -2.257 1.00 2.40 C ATOM 1312 C GLU A 79 22.633 12.063 -2.816 1.00 31.32 C ATOM 1313 O GLU A 79 22.818 13.189 -2.340 1.00 40.34 O ATOM 1314 CB GLU A 79 20.136 11.594 -2.830 1.00 12.22 C ATOM 1315 CG GLU A 79 18.952 10.739 -2.328 1.00 64.11 C ATOM 1316 CD GLU A 79 19.068 9.257 -2.729 1.00 1.24 C ATOM 1317 OE1 GLU A 79 18.718 8.919 -3.884 1.00 65.22 O ATOM 1318 OE2 GLU A 79 19.498 8.423 -1.898 1.00 34.42 O ATOM 0 H GLU A 79 20.740 11.865 -0.443 1.00 50.11 H new ATOM 0 HA GLU A 79 21.720 10.141 -2.553 1.00 2.40 H new ATOM 0 HB2 GLU A 79 19.952 12.637 -2.570 1.00 12.22 H new ATOM 0 HB3 GLU A 79 20.174 11.538 -3.918 1.00 12.22 H new ATOM 0 HG2 GLU A 79 18.893 10.812 -1.242 1.00 64.11 H new ATOM 0 HG3 GLU A 79 18.023 11.146 -2.726 1.00 64.11 H new ATOM 1325 N HIS A 80 23.381 11.545 -3.803 1.00 35.51 N ATOM 1326 CA HIS A 80 24.404 12.323 -4.515 1.00 22.52 C ATOM 1327 C HIS A 80 23.725 13.179 -5.590 1.00 3.20 C ATOM 1328 O HIS A 80 22.809 12.698 -6.275 1.00 20.55 O ATOM 1329 CB HIS A 80 25.462 11.396 -5.171 1.00 61.13 C ATOM 1330 CG HIS A 80 26.295 10.605 -4.195 1.00 31.34 C ATOM 1331 ND1 HIS A 80 26.690 9.304 -4.427 1.00 52.11 N ATOM 1332 CD2 HIS A 80 26.847 10.948 -3.006 1.00 22.22 C ATOM 1333 CE1 HIS A 80 27.443 8.889 -3.431 1.00 15.25 C ATOM 1334 NE2 HIS A 80 27.556 9.865 -2.558 1.00 35.34 N ATOM 0 H HIS A 80 23.294 10.582 -4.127 1.00 35.51 H new ATOM 0 HA HIS A 80 24.918 12.962 -3.797 1.00 22.52 H new ATOM 0 HB2 HIS A 80 24.953 10.702 -5.840 1.00 61.13 H new ATOM 0 HB3 HIS A 80 26.126 12.003 -5.787 1.00 61.13 H new ATOM 0 HD2 HIS A 80 26.747 11.899 -2.504 1.00 22.22 H new ATOM 0 HE1 HIS A 80 27.893 7.911 -3.345 1.00 15.25 H new ATOM 0 HE2 HIS A 80 28.086 9.823 -1.688 1.00 35.34 H new ATOM 1343 N HIS A 81 24.160 14.447 -5.725 1.00 74.33 N ATOM 1344 CA HIS A 81 23.686 15.323 -6.808 1.00 31.42 C ATOM 1345 C HIS A 81 24.250 14.799 -8.142 1.00 33.40 C ATOM 1346 O HIS A 81 25.468 14.715 -8.310 1.00 14.32 O ATOM 1347 CB HIS A 81 24.134 16.796 -6.584 1.00 52.10 C ATOM 1348 CG HIS A 81 23.670 17.400 -5.283 1.00 34.12 C ATOM 1349 ND1 HIS A 81 24.509 17.625 -4.211 1.00 44.22 N ATOM 1350 CD2 HIS A 81 22.451 17.839 -4.889 1.00 53.43 C ATOM 1351 CE1 HIS A 81 23.828 18.169 -3.226 1.00 33.00 C ATOM 1352 NE2 HIS A 81 22.579 18.310 -3.612 1.00 61.34 N ATOM 0 H HIS A 81 24.836 14.884 -5.099 1.00 74.33 H new ATOM 0 HA HIS A 81 22.596 15.311 -6.824 1.00 31.42 H new ATOM 0 HB2 HIS A 81 25.222 16.841 -6.623 1.00 52.10 H new ATOM 0 HB3 HIS A 81 23.760 17.405 -7.407 1.00 52.10 H new ATOM 0 HD2 HIS A 81 21.544 17.820 -5.476 1.00 53.43 H new ATOM 0 HE1 HIS A 81 24.227 18.452 -2.263 1.00 33.00 H new ATOM 0 HE2 HIS A 81 21.827 18.707 -3.049 1.00 61.34 H new ATOM 1361 N HIS A 82 23.362 14.425 -9.070 1.00 73.12 N ATOM 1362 CA HIS A 82 23.766 13.982 -10.424 1.00 33.23 C ATOM 1363 C HIS A 82 23.526 15.118 -11.422 1.00 34.03 C ATOM 1364 O HIS A 82 22.612 15.937 -11.237 1.00 3.13 O ATOM 1365 CB HIS A 82 23.009 12.697 -10.855 1.00 2.15 C ATOM 1366 CG HIS A 82 21.517 12.858 -10.997 1.00 62.02 C ATOM 1367 ND1 HIS A 82 20.878 12.928 -12.221 1.00 53.34 N ATOM 1368 CD2 HIS A 82 20.536 12.946 -10.064 1.00 14.12 C ATOM 1369 CE1 HIS A 82 19.583 13.055 -12.031 1.00 1.03 C ATOM 1370 NE2 HIS A 82 19.353 13.069 -10.735 1.00 63.05 N ATOM 0 H HIS A 82 22.354 14.418 -8.914 1.00 73.12 H new ATOM 0 HA HIS A 82 24.828 13.735 -10.407 1.00 33.23 H new ATOM 0 HB2 HIS A 82 23.415 12.355 -11.807 1.00 2.15 H new ATOM 0 HB3 HIS A 82 23.207 11.913 -10.124 1.00 2.15 H new ATOM 0 HD2 HIS A 82 20.666 12.923 -8.992 1.00 14.12 H new ATOM 0 HE1 HIS A 82 18.835 13.134 -12.806 1.00 1.03 H new ATOM 0 HE2 HIS A 82 18.435 13.158 -10.300 1.00 63.05 H new ATOM 1379 N HIS A 83 24.359 15.164 -12.462 1.00 15.41 N ATOM 1380 CA HIS A 83 24.247 16.150 -13.539 1.00 74.12 C ATOM 1381 C HIS A 83 23.089 15.741 -14.467 1.00 33.31 C ATOM 1382 O HIS A 83 23.078 14.613 -14.966 1.00 2.24 O ATOM 1383 CB HIS A 83 25.581 16.214 -14.327 1.00 20.20 C ATOM 1384 CG HIS A 83 26.793 16.466 -13.459 1.00 2.31 C ATOM 1385 ND1 HIS A 83 27.761 15.514 -13.214 1.00 72.51 N ATOM 1386 CD2 HIS A 83 27.196 17.573 -12.788 1.00 71.34 C ATOM 1387 CE1 HIS A 83 28.693 16.024 -12.440 1.00 73.03 C ATOM 1388 NE2 HIS A 83 28.375 17.267 -12.169 1.00 53.11 N ATOM 0 H HIS A 83 25.136 14.514 -12.582 1.00 15.41 H new ATOM 0 HA HIS A 83 24.044 17.138 -13.126 1.00 74.12 H new ATOM 0 HB2 HIS A 83 25.720 15.276 -14.864 1.00 20.20 H new ATOM 0 HB3 HIS A 83 25.512 17.003 -15.076 1.00 20.20 H new ATOM 0 HD2 HIS A 83 26.680 18.521 -12.750 1.00 71.34 H new ATOM 0 HE1 HIS A 83 29.573 15.506 -12.087 1.00 73.03 H new ATOM 0 HE2 HIS A 83 28.921 17.904 -11.589 1.00 53.11 H new ATOM 1397 N HIS A 84 22.093 16.631 -14.654 1.00 12.21 N ATOM 1398 CA HIS A 84 20.998 16.391 -15.620 1.00 71.31 C ATOM 1399 C HIS A 84 21.540 16.506 -17.056 1.00 23.12 C ATOM 1400 O HIS A 84 21.012 15.886 -17.986 1.00 41.22 O ATOM 1401 CB HIS A 84 19.814 17.367 -15.404 1.00 14.23 C ATOM 1402 CG HIS A 84 18.669 17.118 -16.352 1.00 63.13 C ATOM 1403 ND1 HIS A 84 18.506 17.820 -17.529 1.00 13.21 N ATOM 1404 CD2 HIS A 84 17.662 16.216 -16.320 1.00 61.05 C ATOM 1405 CE1 HIS A 84 17.464 17.355 -18.173 1.00 31.54 C ATOM 1406 NE2 HIS A 84 16.934 16.385 -17.465 1.00 54.14 N ATOM 0 H HIS A 84 22.023 17.517 -14.153 1.00 12.21 H new ATOM 0 HA HIS A 84 20.617 15.383 -15.456 1.00 71.31 H new ATOM 0 HB2 HIS A 84 19.457 17.275 -14.378 1.00 14.23 H new ATOM 0 HB3 HIS A 84 20.166 18.391 -15.529 1.00 14.23 H new ATOM 0 HD2 HIS A 84 17.469 15.497 -15.537 1.00 61.05 H new ATOM 0 HE1 HIS A 84 17.102 17.710 -19.126 1.00 31.54 H new ATOM 0 HE2 HIS A 84 16.110 15.844 -17.727 1.00 54.14 H new ATOM 1415 N HIS A 85 22.585 17.337 -17.214 1.00 12.12 N ATOM 1416 CA HIS A 85 23.361 17.428 -18.456 1.00 23.33 C ATOM 1417 C HIS A 85 24.116 16.092 -18.687 1.00 43.11 C ATOM 1418 O HIS A 85 25.056 15.794 -17.920 1.00 22.34 O ATOM 1419 CB HIS A 85 24.340 18.634 -18.394 1.00 13.53 C ATOM 1420 CG HIS A 85 25.243 18.765 -19.600 1.00 52.45 C ATOM 1421 ND1 HIS A 85 26.453 18.112 -19.700 1.00 41.22 N ATOM 1422 CD2 HIS A 85 25.105 19.462 -20.757 1.00 1.22 C ATOM 1423 CE1 HIS A 85 27.012 18.399 -20.856 1.00 3.32 C ATOM 1424 NE2 HIS A 85 26.218 19.213 -21.515 1.00 32.21 N ATOM 1425 OXT HIS A 85 23.757 15.346 -19.620 1.00 37.37 O ATOM 0 H HIS A 85 22.913 17.965 -16.480 1.00 12.12 H new ATOM 0 HA HIS A 85 22.690 17.596 -19.298 1.00 23.33 H new ATOM 0 HB2 HIS A 85 23.761 19.551 -18.287 1.00 13.53 H new ATOM 0 HB3 HIS A 85 24.958 18.540 -17.501 1.00 13.53 H new ATOM 0 HD2 HIS A 85 24.273 20.095 -21.029 1.00 1.22 H new ATOM 0 HE1 HIS A 85 27.964 18.028 -21.205 1.00 3.32 H new ATOM 0 HE2 HIS A 85 26.401 19.597 -22.442 1.00 32.21 H new TER 1434 HIS A 85