USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 817 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 15 HIS : no HE2:sc= -0.952 X(o=-1.5,f=-1.9) USER MOD Set 1.2: A 45 MET CE :methyl 164:sc= -0.579 (180deg=-1.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 0.63 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 27:sc= 0.757 USER MOD Single : A 48 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-4.4!) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 THR OG1 : rot 25:sc= 0.616 USER MOD Single : A 51 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.4!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.36 F(o=-1.9,f=-0.36) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 92:sc= 0.125 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.597 F(o=-1.4,f=-0.6) USER MOD Single : A 77 MET CE :methyl 150:sc= -0.366 (180deg=-0.844) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= 0.551 (180deg=-0.574) USER MOD Single : A 87 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.6) USER MOD Single : A 89 SER OG : rot 9:sc= 0.218 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.091) USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.081 USER MOD Single : A 94 ASN : amide:sc= -0.16 K(o=-0.16,f=-3.9!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.741 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.066 13.378 -18.646 1.00 0.00 N ATOM 2 CA GLY A 1 6.815 13.785 -19.258 1.00 0.00 C ATOM 3 C GLY A 1 5.611 13.137 -18.604 1.00 0.00 C ATOM 4 O GLY A 1 5.599 11.928 -18.370 1.00 0.00 O ATOM 0 H1 GLY A 1 8.858 13.848 -19.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.064 13.647 -17.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.174 12.347 -18.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.719 14.869 -19.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.832 13.528 -20.317 1.00 0.00 H new ATOM 8 N SER A 2 4.596 13.942 -18.305 1.00 0.00 N ATOM 9 CA SER A 2 3.385 13.440 -17.668 1.00 0.00 C ATOM 10 C SER A 2 2.291 13.188 -18.702 1.00 0.00 C ATOM 11 O SER A 2 1.838 14.111 -19.379 1.00 0.00 O ATOM 12 CB SER A 2 2.888 14.433 -16.616 1.00 0.00 C ATOM 13 OG SER A 2 3.464 14.165 -15.349 1.00 0.00 O ATOM 0 H SER A 2 4.589 14.944 -18.494 1.00 0.00 H new ATOM 0 HA SER A 2 3.625 12.495 -17.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.136 15.449 -16.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.802 14.378 -16.544 1.00 0.00 H new ATOM 0 HG SER A 2 3.132 14.814 -14.695 1.00 0.00 H new ATOM 19 N SER A 3 1.873 11.932 -18.818 1.00 0.00 N ATOM 20 CA SER A 3 0.836 11.557 -19.772 1.00 0.00 C ATOM 21 C SER A 3 -0.532 12.049 -19.309 1.00 0.00 C ATOM 22 O SER A 3 -1.286 11.314 -18.673 1.00 0.00 O ATOM 23 CB SER A 3 0.809 10.038 -19.956 1.00 0.00 C ATOM 24 OG SER A 3 0.615 9.377 -18.718 1.00 0.00 O ATOM 0 H SER A 3 2.236 11.157 -18.263 1.00 0.00 H new ATOM 0 HA SER A 3 1.068 12.028 -20.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.010 9.766 -20.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.745 9.706 -20.406 1.00 0.00 H new ATOM 0 HG SER A 3 -0.142 9.783 -18.246 1.00 0.00 H new ATOM 30 N GLY A 4 -0.845 13.300 -19.634 1.00 0.00 N ATOM 31 CA GLY A 4 -2.121 13.870 -19.244 1.00 0.00 C ATOM 32 C GLY A 4 -1.970 14.996 -18.240 1.00 0.00 C ATOM 33 O GLY A 4 -0.854 15.400 -17.913 1.00 0.00 O ATOM 0 H GLY A 4 -0.238 13.928 -20.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.635 14.244 -20.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.749 13.088 -18.817 1.00 0.00 H new ATOM 37 N SER A 5 -3.096 15.505 -17.751 1.00 0.00 N ATOM 38 CA SER A 5 -3.085 16.596 -16.783 1.00 0.00 C ATOM 39 C SER A 5 -2.394 16.168 -15.491 1.00 0.00 C ATOM 40 O SER A 5 -2.352 14.983 -15.160 1.00 0.00 O ATOM 41 CB SER A 5 -4.513 17.055 -16.483 1.00 0.00 C ATOM 42 OG SER A 5 -5.305 15.979 -16.010 1.00 0.00 O ATOM 0 H SER A 5 -4.028 15.180 -18.009 1.00 0.00 H new ATOM 0 HA SER A 5 -2.528 17.427 -17.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.494 17.851 -15.739 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.961 17.472 -17.385 1.00 0.00 H new ATOM 0 HG SER A 5 -6.213 16.298 -15.824 1.00 0.00 H new ATOM 48 N SER A 6 -1.853 17.142 -14.766 1.00 0.00 N ATOM 49 CA SER A 6 -1.160 16.868 -13.513 1.00 0.00 C ATOM 50 C SER A 6 -2.112 16.257 -12.489 1.00 0.00 C ATOM 51 O SER A 6 -2.834 16.970 -11.794 1.00 0.00 O ATOM 52 CB SER A 6 -0.546 18.152 -12.953 1.00 0.00 C ATOM 53 OG SER A 6 0.525 17.864 -12.072 1.00 0.00 O ATOM 0 H SER A 6 -1.881 18.128 -15.025 1.00 0.00 H new ATOM 0 HA SER A 6 -0.363 16.152 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.189 18.775 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.310 18.724 -12.427 1.00 0.00 H new ATOM 0 HG SER A 6 0.901 18.702 -11.729 1.00 0.00 H new ATOM 59 N GLY A 7 -2.106 14.930 -12.402 1.00 0.00 N ATOM 60 CA GLY A 7 -2.972 14.245 -11.460 1.00 0.00 C ATOM 61 C GLY A 7 -2.346 12.977 -10.914 1.00 0.00 C ATOM 62 O GLY A 7 -2.485 11.905 -11.504 1.00 0.00 O ATOM 0 H GLY A 7 -1.517 14.318 -12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.207 14.916 -10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.914 14.000 -11.950 1.00 0.00 H new ATOM 66 N ASP A 8 -1.655 13.098 -9.787 1.00 0.00 N ATOM 67 CA ASP A 8 -1.005 11.953 -9.161 1.00 0.00 C ATOM 68 C ASP A 8 -1.903 11.334 -8.094 1.00 0.00 C ATOM 69 O ASP A 8 -2.996 11.832 -7.823 1.00 0.00 O ATOM 70 CB ASP A 8 0.330 12.372 -8.542 1.00 0.00 C ATOM 71 CG ASP A 8 1.058 13.403 -9.381 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.829 14.612 -9.166 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.859 13.002 -10.251 1.00 0.00 O ATOM 0 H ASP A 8 -1.530 13.978 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.820 11.206 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.154 12.777 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.963 11.493 -8.421 1.00 0.00 H new ATOM 78 N VAL A 9 -1.434 10.245 -7.493 1.00 0.00 N ATOM 79 CA VAL A 9 -2.195 9.558 -6.455 1.00 0.00 C ATOM 80 C VAL A 9 -1.446 9.568 -5.127 1.00 0.00 C ATOM 81 O VAL A 9 -0.477 8.831 -4.943 1.00 0.00 O ATOM 82 CB VAL A 9 -2.494 8.100 -6.852 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.214 7.377 -5.724 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.313 8.055 -8.133 1.00 0.00 C ATOM 0 H VAL A 9 -0.532 9.820 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.136 10.097 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.548 7.589 -7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.417 6.348 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.587 7.379 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.154 7.885 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.515 7.018 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.255 8.581 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.756 8.534 -8.938 1.00 0.00 H new ATOM 94 N ARG A 10 -1.901 10.409 -4.204 1.00 0.00 N ATOM 95 CA ARG A 10 -1.274 10.515 -2.892 1.00 0.00 C ATOM 96 C ARG A 10 -1.492 9.242 -2.080 1.00 0.00 C ATOM 97 O ARG A 10 -2.617 8.928 -1.689 1.00 0.00 O ATOM 98 CB ARG A 10 -1.833 11.720 -2.133 1.00 0.00 C ATOM 99 CG ARG A 10 -0.884 12.272 -1.082 1.00 0.00 C ATOM 100 CD ARG A 10 -1.551 13.346 -0.237 1.00 0.00 C ATOM 101 NE ARG A 10 -1.487 14.659 -0.871 1.00 0.00 N ATOM 102 CZ ARG A 10 -0.449 15.480 -0.758 1.00 0.00 C ATOM 103 NH1 ARG A 10 0.606 15.125 -0.039 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.466 16.660 -1.366 1.00 0.00 N ATOM 0 H ARG A 10 -2.701 11.027 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.203 10.651 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.071 12.509 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.768 11.433 -1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.541 11.462 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.002 12.687 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.593 13.077 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.068 13.391 0.739 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.283 14.963 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.622 14.219 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.402 15.758 0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.276 16.937 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.331 17.290 -1.279 1.00 0.00 H new ATOM 118 N VAL A 11 -0.410 8.513 -1.830 1.00 0.00 N ATOM 119 CA VAL A 11 -0.482 7.275 -1.064 1.00 0.00 C ATOM 120 C VAL A 11 0.187 7.430 0.297 1.00 0.00 C ATOM 121 O VAL A 11 1.410 7.542 0.391 1.00 0.00 O ATOM 122 CB VAL A 11 0.181 6.108 -1.820 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.191 4.852 -0.961 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.531 5.855 -3.140 1.00 0.00 C ATOM 0 H VAL A 11 0.528 8.758 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.539 7.052 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 11 1.214 6.379 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.663 4.038 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.750 5.042 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.833 4.574 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.049 5.027 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.574 5.605 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.480 6.751 -3.758 1.00 0.00 H new ATOM 134 N LYS A 12 -0.622 7.436 1.351 1.00 0.00 N ATOM 135 CA LYS A 12 -0.110 7.576 2.708 1.00 0.00 C ATOM 136 C LYS A 12 0.281 6.219 3.285 1.00 0.00 C ATOM 137 O LYS A 12 -0.520 5.285 3.297 1.00 0.00 O ATOM 138 CB LYS A 12 -1.157 8.241 3.605 1.00 0.00 C ATOM 139 CG LYS A 12 -0.580 8.837 4.877 1.00 0.00 C ATOM 140 CD LYS A 12 -1.379 10.042 5.341 1.00 0.00 C ATOM 141 CE LYS A 12 -2.735 9.632 5.895 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.645 9.197 7.316 1.00 0.00 N ATOM 0 H LYS A 12 -1.636 7.345 1.291 1.00 0.00 H new ATOM 0 HA LYS A 12 0.779 8.205 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.659 9.027 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.916 7.505 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.571 8.081 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.456 9.130 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.819 10.578 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.518 10.730 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.428 10.469 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.143 8.821 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.590 8.926 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.003 8.382 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.279 9.979 7.896 1.00 0.00 H new ATOM 156 N PHE A 13 1.517 6.119 3.764 1.00 0.00 N ATOM 157 CA PHE A 13 2.013 4.876 4.342 1.00 0.00 C ATOM 158 C PHE A 13 1.941 4.918 5.866 1.00 0.00 C ATOM 159 O PHE A 13 1.885 5.992 6.465 1.00 0.00 O ATOM 160 CB PHE A 13 3.454 4.621 3.896 1.00 0.00 C ATOM 161 CG PHE A 13 3.563 4.088 2.496 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.751 3.050 2.071 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.477 4.627 1.605 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.849 2.557 0.783 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.580 4.139 0.316 1.00 0.00 C ATOM 166 CZ PHE A 13 3.764 3.103 -0.096 1.00 0.00 C ATOM 0 H PHE A 13 2.192 6.883 3.763 1.00 0.00 H new ATOM 0 HA PHE A 13 1.380 4.062 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.018 5.551 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.919 3.913 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.033 2.620 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.116 5.438 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.211 1.746 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.298 4.567 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.841 2.721 -1.103 1.00 0.00 H new ATOM 176 N GLU A 14 1.941 3.742 6.486 1.00 0.00 N ATOM 177 CA GLU A 14 1.874 3.645 7.939 1.00 0.00 C ATOM 178 C GLU A 14 2.679 2.450 8.442 1.00 0.00 C ATOM 179 O GLU A 14 2.408 1.306 8.076 1.00 0.00 O ATOM 180 CB GLU A 14 0.419 3.524 8.397 1.00 0.00 C ATOM 181 CG GLU A 14 -0.259 4.863 8.630 1.00 0.00 C ATOM 182 CD GLU A 14 -1.768 4.745 8.722 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.429 4.753 7.662 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.288 4.644 9.853 1.00 0.00 O ATOM 0 H GLU A 14 1.987 2.844 6.005 1.00 0.00 H new ATOM 0 HA GLU A 14 2.305 4.554 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.144 2.967 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.384 2.943 9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.124 5.305 9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.000 5.543 7.818 1.00 0.00 H new ATOM 191 N HIS A 15 3.671 2.724 9.284 1.00 0.00 N ATOM 192 CA HIS A 15 4.516 1.673 9.839 1.00 0.00 C ATOM 193 C HIS A 15 4.799 1.926 11.316 1.00 0.00 C ATOM 194 O HIS A 15 5.525 2.856 11.668 1.00 0.00 O ATOM 195 CB HIS A 15 5.830 1.584 9.063 1.00 0.00 C ATOM 196 CG HIS A 15 6.465 0.228 9.113 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.910 -0.351 10.283 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.726 -0.664 8.130 1.00 0.00 C ATOM 199 CE1 HIS A 15 7.420 -1.540 10.016 1.00 0.00 C ATOM 200 NE2 HIS A 15 7.320 -1.755 8.717 1.00 0.00 N ATOM 0 H HIS A 15 3.909 3.665 9.597 1.00 0.00 H new ATOM 0 HA HIS A 15 3.984 0.726 9.747 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.647 1.852 8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.529 2.318 9.463 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.854 0.072 11.209 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.508 -0.541 7.079 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.846 -2.221 10.738 1.00 0.00 H new ATOM 209 N ARG A 16 4.221 1.093 12.176 1.00 0.00 N ATOM 210 CA ARG A 16 4.411 1.229 13.615 1.00 0.00 C ATOM 211 C ARG A 16 4.338 2.693 14.038 1.00 0.00 C ATOM 212 O ARG A 16 5.244 3.206 14.692 1.00 0.00 O ATOM 213 CB ARG A 16 5.756 0.632 14.032 1.00 0.00 C ATOM 214 CG ARG A 16 5.687 -0.848 14.372 1.00 0.00 C ATOM 215 CD ARG A 16 7.061 -1.497 14.313 1.00 0.00 C ATOM 216 NE ARG A 16 7.782 -1.369 15.577 1.00 0.00 N ATOM 217 CZ ARG A 16 8.505 -0.304 15.906 1.00 0.00 C ATOM 218 NH1 ARG A 16 8.602 0.720 15.068 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.132 -0.261 17.074 1.00 0.00 N ATOM 0 H ARG A 16 3.618 0.318 11.901 1.00 0.00 H new ATOM 0 HA ARG A 16 3.610 0.685 14.115 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.474 0.778 13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.133 1.178 14.897 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.266 -0.974 15.370 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.015 -1.351 13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.953 -2.552 14.063 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.645 -1.038 13.515 1.00 0.00 H new ATOM 0 HE ARG A 16 7.727 -2.139 16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.121 0.691 14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.158 1.537 15.323 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.059 -1.046 17.721 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.687 0.557 17.325 1.00 0.00 H new ATOM 233 N GLY A 17 3.253 3.360 13.658 1.00 0.00 N ATOM 234 CA GLY A 17 3.082 4.759 14.005 1.00 0.00 C ATOM 235 C GLY A 17 3.674 5.691 12.967 1.00 0.00 C ATOM 236 O GLY A 17 3.153 6.781 12.734 1.00 0.00 O ATOM 0 H GLY A 17 2.489 2.957 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.020 4.975 14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.551 4.951 14.970 1.00 0.00 H new ATOM 240 N GLU A 18 4.767 5.262 12.343 1.00 0.00 N ATOM 241 CA GLU A 18 5.431 6.068 11.326 1.00 0.00 C ATOM 242 C GLU A 18 4.531 6.257 10.108 1.00 0.00 C ATOM 243 O GLU A 18 3.642 5.447 9.847 1.00 0.00 O ATOM 244 CB GLU A 18 6.748 5.413 10.904 1.00 0.00 C ATOM 245 CG GLU A 18 7.720 5.205 12.053 1.00 0.00 C ATOM 246 CD GLU A 18 7.739 6.374 13.020 1.00 0.00 C ATOM 247 OE1 GLU A 18 6.836 6.450 13.878 1.00 0.00 O ATOM 248 OE2 GLU A 18 8.659 7.213 12.917 1.00 0.00 O ATOM 0 H GLU A 18 5.211 4.362 12.524 1.00 0.00 H new ATOM 0 HA GLU A 18 5.642 7.047 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.533 4.449 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.224 6.032 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.451 4.297 12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.722 5.053 11.653 1.00 0.00 H new ATOM 255 N LYS A 19 4.769 7.332 9.365 1.00 0.00 N ATOM 256 CA LYS A 19 3.982 7.629 8.174 1.00 0.00 C ATOM 257 C LYS A 19 4.878 8.104 7.034 1.00 0.00 C ATOM 258 O LYS A 19 5.911 8.733 7.265 1.00 0.00 O ATOM 259 CB LYS A 19 2.929 8.695 8.486 1.00 0.00 C ATOM 260 CG LYS A 19 1.860 8.227 9.459 1.00 0.00 C ATOM 261 CD LYS A 19 2.253 8.513 10.899 1.00 0.00 C ATOM 262 CE LYS A 19 2.124 9.993 11.227 1.00 0.00 C ATOM 263 NZ LYS A 19 0.709 10.384 11.479 1.00 0.00 N ATOM 0 H LYS A 19 5.501 8.013 9.567 1.00 0.00 H new ATOM 0 HA LYS A 19 3.482 6.712 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.425 9.574 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.452 9.005 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.917 8.725 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.694 7.157 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.621 7.933 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.280 8.190 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.727 10.224 12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.523 10.584 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.663 11.399 11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.138 10.187 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.336 9.839 12.282 1.00 0.00 H new ATOM 277 N ARG A 20 4.475 7.799 5.805 1.00 0.00 N ATOM 278 CA ARG A 20 5.242 8.195 4.630 1.00 0.00 C ATOM 279 C ARG A 20 4.324 8.417 3.431 1.00 0.00 C ATOM 280 O ARG A 20 3.665 7.489 2.962 1.00 0.00 O ATOM 281 CB ARG A 20 6.288 7.131 4.295 1.00 0.00 C ATOM 282 CG ARG A 20 7.630 7.361 4.972 1.00 0.00 C ATOM 283 CD ARG A 20 8.322 8.601 4.429 1.00 0.00 C ATOM 284 NE ARG A 20 9.741 8.632 4.777 1.00 0.00 N ATOM 285 CZ ARG A 20 10.646 9.337 4.108 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.282 10.066 3.061 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.918 9.314 4.485 1.00 0.00 N ATOM 0 H ARG A 20 3.622 7.279 5.597 1.00 0.00 H new ATOM 0 HA ARG A 20 5.748 9.133 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.906 6.153 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.435 7.105 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.483 7.466 6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.269 6.491 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.214 8.631 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.832 9.491 4.823 1.00 0.00 H new ATOM 0 HE ARG A 20 10.053 8.082 5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.305 10.086 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.979 10.607 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.201 8.754 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.612 9.856 3.970 1.00 0.00 H new ATOM 301 N ILE A 21 4.286 9.652 2.942 1.00 0.00 N ATOM 302 CA ILE A 21 3.450 9.994 1.798 1.00 0.00 C ATOM 303 C ILE A 21 4.225 9.864 0.491 1.00 0.00 C ATOM 304 O ILE A 21 5.407 10.205 0.421 1.00 0.00 O ATOM 305 CB ILE A 21 2.898 11.427 1.914 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.753 11.476 2.927 1.00 0.00 C ATOM 307 CG2 ILE A 21 2.431 11.926 0.554 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.426 11.019 2.361 1.00 0.00 C ATOM 0 H ILE A 21 4.824 10.432 3.320 1.00 0.00 H new ATOM 0 HA ILE A 21 2.617 9.291 1.794 1.00 0.00 H new ATOM 0 HB ILE A 21 3.696 12.081 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.009 10.851 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.649 12.496 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.043 12.940 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.270 11.924 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.645 11.272 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.340 11.080 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.148 11.659 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.513 9.988 2.017 1.00 0.00 H new ATOM 320 N LEU A 22 3.553 9.370 -0.542 1.00 0.00 N ATOM 321 CA LEU A 22 4.178 9.196 -1.849 1.00 0.00 C ATOM 322 C LEU A 22 3.286 9.747 -2.957 1.00 0.00 C ATOM 323 O LEU A 22 2.124 10.081 -2.723 1.00 0.00 O ATOM 324 CB LEU A 22 4.471 7.717 -2.103 1.00 0.00 C ATOM 325 CG LEU A 22 5.786 7.185 -1.531 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.683 7.017 -0.023 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.161 5.867 -2.193 1.00 0.00 C ATOM 0 H LEU A 22 2.575 9.083 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 22 5.116 9.752 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.653 7.129 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.471 7.547 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 22 6.572 7.910 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.628 6.638 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.462 7.981 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.885 6.312 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.099 5.503 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.375 5.133 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.278 6.019 -3.266 1.00 0.00 H new ATOM 339 N GLN A 23 3.836 9.837 -4.163 1.00 0.00 N ATOM 340 CA GLN A 23 3.089 10.346 -5.307 1.00 0.00 C ATOM 341 C GLN A 23 3.320 9.476 -6.539 1.00 0.00 C ATOM 342 O GLN A 23 4.446 9.347 -7.018 1.00 0.00 O ATOM 343 CB GLN A 23 3.494 11.791 -5.606 1.00 0.00 C ATOM 344 CG GLN A 23 2.958 12.793 -4.597 1.00 0.00 C ATOM 345 CD GLN A 23 3.046 14.224 -5.092 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.998 14.942 -4.785 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.050 14.645 -5.863 1.00 0.00 N ATOM 0 H GLN A 23 4.796 9.564 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 23 2.028 10.317 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.582 11.857 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.137 12.062 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.919 12.554 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.517 12.700 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.281 14.015 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.054 15.598 -6.226 1.00 0.00 H new ATOM 356 N PHE A 24 2.245 8.881 -7.046 1.00 0.00 N ATOM 357 CA PHE A 24 2.331 8.022 -8.221 1.00 0.00 C ATOM 358 C PHE A 24 1.344 8.470 -9.295 1.00 0.00 C ATOM 359 O PHE A 24 0.127 8.355 -9.143 1.00 0.00 O ATOM 360 CB PHE A 24 2.057 6.567 -7.836 1.00 0.00 C ATOM 361 CG PHE A 24 3.009 6.030 -6.806 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.768 6.220 -5.455 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.145 5.335 -7.189 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.643 5.728 -4.505 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.024 4.841 -6.244 1.00 0.00 C ATOM 366 CZ PHE A 24 4.772 5.036 -4.900 1.00 0.00 C ATOM 0 H PHE A 24 1.305 8.978 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 24 3.341 8.100 -8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.039 6.486 -7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.114 5.946 -8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.886 6.759 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.346 5.178 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.445 5.884 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.907 4.303 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.456 4.648 -4.159 1.00 0.00 H new ATOM 376 N PRO A 25 1.879 8.993 -10.409 1.00 0.00 N ATOM 377 CA PRO A 25 1.064 9.469 -11.530 1.00 0.00 C ATOM 378 C PRO A 25 0.382 8.327 -12.277 1.00 0.00 C ATOM 379 O PRO A 25 1.043 7.514 -12.924 1.00 0.00 O ATOM 380 CB PRO A 25 2.081 10.168 -12.436 1.00 0.00 C ATOM 381 CG PRO A 25 3.382 9.517 -12.117 1.00 0.00 C ATOM 382 CD PRO A 25 3.320 9.160 -10.658 1.00 0.00 C ATOM 0 HA PRO A 25 0.252 10.116 -11.198 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.824 10.045 -13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.116 11.240 -12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.534 8.629 -12.730 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.215 10.190 -12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.873 8.246 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.747 9.945 -10.034 1.00 0.00 H new ATOM 390 N ARG A 26 -0.943 8.273 -12.184 1.00 0.00 N ATOM 391 CA ARG A 26 -1.713 7.230 -12.850 1.00 0.00 C ATOM 392 C ARG A 26 -1.303 7.103 -14.314 1.00 0.00 C ATOM 393 O ARG A 26 -0.904 8.073 -14.960 1.00 0.00 O ATOM 394 CB ARG A 26 -3.210 7.532 -12.753 1.00 0.00 C ATOM 395 CG ARG A 26 -3.819 7.168 -11.409 1.00 0.00 C ATOM 396 CD ARG A 26 -5.243 7.685 -11.284 1.00 0.00 C ATOM 397 NE ARG A 26 -5.701 7.698 -9.897 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.716 8.439 -9.466 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.375 9.222 -10.308 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.073 8.397 -8.188 1.00 0.00 N ATOM 0 H ARG A 26 -1.505 8.939 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.506 6.284 -12.349 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.371 8.594 -12.939 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.734 6.988 -13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.812 6.085 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.208 7.583 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.300 8.693 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.909 7.061 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.215 7.106 -9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.103 9.257 -11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.154 9.789 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.568 7.796 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.852 8.966 -7.857 1.00 0.00 H new ATOM 414 N PRO A 27 -1.402 5.878 -14.852 1.00 0.00 N ATOM 415 CA PRO A 27 -1.875 4.716 -14.094 1.00 0.00 C ATOM 416 C PRO A 27 -0.878 4.274 -13.028 1.00 0.00 C ATOM 417 O PRO A 27 0.319 4.161 -13.293 1.00 0.00 O ATOM 418 CB PRO A 27 -2.029 3.633 -15.164 1.00 0.00 C ATOM 419 CG PRO A 27 -1.083 4.030 -16.244 1.00 0.00 C ATOM 420 CD PRO A 27 -1.060 5.533 -16.242 1.00 0.00 C ATOM 0 HA PRO A 27 -2.795 4.931 -13.551 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.786 2.647 -14.767 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.053 3.584 -15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.088 3.624 -16.060 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.410 3.646 -17.210 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.080 5.920 -16.523 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.780 5.947 -16.948 1.00 0.00 H new ATOM 428 N VAL A 28 -1.378 4.026 -11.822 1.00 0.00 N ATOM 429 CA VAL A 28 -0.531 3.595 -10.717 1.00 0.00 C ATOM 430 C VAL A 28 -0.134 2.130 -10.867 1.00 0.00 C ATOM 431 O VAL A 28 -0.933 1.301 -11.303 1.00 0.00 O ATOM 432 CB VAL A 28 -1.236 3.788 -9.361 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.278 3.500 -8.215 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.804 5.195 -9.252 1.00 0.00 C ATOM 0 H VAL A 28 -2.366 4.116 -11.585 1.00 0.00 H new ATOM 0 HA VAL A 28 0.365 4.216 -10.744 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.063 3.081 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.794 3.642 -7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.076 2.471 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.572 4.180 -8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.299 5.314 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.996 5.921 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.525 5.359 -10.053 1.00 0.00 H new ATOM 444 N LYS A 29 1.105 1.818 -10.503 1.00 0.00 N ATOM 445 CA LYS A 29 1.609 0.453 -10.594 1.00 0.00 C ATOM 446 C LYS A 29 1.877 -0.122 -9.207 1.00 0.00 C ATOM 447 O LYS A 29 2.534 0.509 -8.379 1.00 0.00 O ATOM 448 CB LYS A 29 2.890 0.416 -11.430 1.00 0.00 C ATOM 449 CG LYS A 29 2.701 0.905 -12.855 1.00 0.00 C ATOM 450 CD LYS A 29 2.064 -0.161 -13.731 1.00 0.00 C ATOM 451 CE LYS A 29 1.330 0.454 -14.913 1.00 0.00 C ATOM 452 NZ LYS A 29 2.272 1.046 -15.904 1.00 0.00 N ATOM 0 H LYS A 29 1.779 2.493 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 29 0.848 -0.158 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.649 1.027 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.270 -0.606 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.076 1.798 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.666 1.192 -13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.833 -0.843 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.368 -0.753 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.723 -0.309 -15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.647 1.225 -14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.733 1.455 -16.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.834 1.792 -15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.907 0.306 -16.265 1.00 0.00 H new ATOM 466 N LEU A 30 1.366 -1.324 -8.962 1.00 0.00 N ATOM 467 CA LEU A 30 1.552 -1.985 -7.675 1.00 0.00 C ATOM 468 C LEU A 30 3.032 -2.077 -7.318 1.00 0.00 C ATOM 469 O LEU A 30 3.427 -1.790 -6.189 1.00 0.00 O ATOM 470 CB LEU A 30 0.935 -3.385 -7.705 1.00 0.00 C ATOM 471 CG LEU A 30 1.204 -4.264 -6.483 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.601 -3.641 -5.234 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.654 -5.665 -6.702 1.00 0.00 C ATOM 0 H LEU A 30 0.820 -1.860 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 30 1.050 -1.389 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.144 -3.282 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.305 -3.904 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 30 2.282 -4.337 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.803 -4.281 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.044 -2.659 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.476 -3.536 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.855 -6.276 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.422 -5.612 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.134 -6.113 -7.572 1.00 0.00 H new ATOM 485 N GLU A 31 3.846 -2.478 -8.290 1.00 0.00 N ATOM 486 CA GLU A 31 5.283 -2.606 -8.079 1.00 0.00 C ATOM 487 C GLU A 31 5.894 -1.267 -7.674 1.00 0.00 C ATOM 488 O GLU A 31 6.789 -1.211 -6.831 1.00 0.00 O ATOM 489 CB GLU A 31 5.963 -3.128 -9.346 1.00 0.00 C ATOM 490 CG GLU A 31 6.255 -2.045 -10.370 1.00 0.00 C ATOM 491 CD GLU A 31 7.173 -2.523 -11.479 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.660 -3.050 -12.488 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.404 -2.369 -11.337 1.00 0.00 O ATOM 0 H GLU A 31 3.535 -2.720 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 31 5.444 -3.319 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.897 -3.618 -9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.328 -3.887 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.317 -1.698 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.710 -1.190 -9.870 1.00 0.00 H new ATOM 500 N ASP A 32 5.405 -0.193 -8.283 1.00 0.00 N ATOM 501 CA ASP A 32 5.903 1.146 -7.987 1.00 0.00 C ATOM 502 C ASP A 32 5.675 1.498 -6.521 1.00 0.00 C ATOM 503 O ASP A 32 6.591 1.949 -5.830 1.00 0.00 O ATOM 504 CB ASP A 32 5.217 2.178 -8.885 1.00 0.00 C ATOM 505 CG ASP A 32 5.923 2.347 -10.216 1.00 0.00 C ATOM 506 OD1 ASP A 32 5.904 1.394 -11.023 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.494 3.432 -10.450 1.00 0.00 O ATOM 0 H ASP A 32 4.665 -0.223 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 32 6.975 1.160 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.185 1.874 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.183 3.138 -8.370 1.00 0.00 H new ATOM 512 N LEU A 33 4.450 1.292 -6.051 1.00 0.00 N ATOM 513 CA LEU A 33 4.101 1.588 -4.666 1.00 0.00 C ATOM 514 C LEU A 33 5.050 0.883 -3.702 1.00 0.00 C ATOM 515 O LEU A 33 5.582 1.498 -2.778 1.00 0.00 O ATOM 516 CB LEU A 33 2.659 1.165 -4.380 1.00 0.00 C ATOM 517 CG LEU A 33 1.573 2.158 -4.798 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.283 1.427 -5.135 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.336 3.182 -3.698 1.00 0.00 C ATOM 0 H LEU A 33 3.681 0.921 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 33 4.194 2.664 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.472 0.218 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.561 0.979 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 33 1.912 2.684 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.478 2.149 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.462 0.733 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.061 0.874 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.560 3.881 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.018 2.672 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.259 3.728 -3.504 1.00 0.00 H new ATOM 531 N ARG A 34 5.259 -0.410 -3.926 1.00 0.00 N ATOM 532 CA ARG A 34 6.145 -1.199 -3.079 1.00 0.00 C ATOM 533 C ARG A 34 7.586 -0.709 -3.194 1.00 0.00 C ATOM 534 O ARG A 34 8.226 -0.391 -2.192 1.00 0.00 O ATOM 535 CB ARG A 34 6.066 -2.678 -3.459 1.00 0.00 C ATOM 536 CG ARG A 34 4.647 -3.220 -3.505 1.00 0.00 C ATOM 537 CD ARG A 34 4.620 -4.673 -3.952 1.00 0.00 C ATOM 538 NE ARG A 34 5.235 -5.561 -2.969 1.00 0.00 N ATOM 539 CZ ARG A 34 4.652 -5.908 -1.826 1.00 0.00 C ATOM 540 NH1 ARG A 34 3.446 -5.446 -1.526 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.275 -6.720 -0.982 1.00 0.00 N ATOM 0 H ARG A 34 4.827 -0.934 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 34 5.820 -1.079 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.532 -2.819 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.645 -3.260 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.191 -3.133 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.048 -2.617 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.588 -4.980 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.143 -4.769 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 34 6.162 -5.935 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.963 -4.823 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.001 -5.714 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.202 -7.079 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.827 -6.986 -0.105 1.00 0.00 H new ATOM 555 N SER A 35 8.090 -0.652 -4.423 1.00 0.00 N ATOM 556 CA SER A 35 9.456 -0.206 -4.669 1.00 0.00 C ATOM 557 C SER A 35 9.794 1.008 -3.809 1.00 0.00 C ATOM 558 O SER A 35 10.718 0.970 -2.996 1.00 0.00 O ATOM 559 CB SER A 35 9.645 0.134 -6.148 1.00 0.00 C ATOM 560 OG SER A 35 11.008 0.039 -6.524 1.00 0.00 O ATOM 0 H SER A 35 7.573 -0.909 -5.264 1.00 0.00 H new ATOM 0 HA SER A 35 10.131 -1.019 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.048 -0.543 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.281 1.143 -6.342 1.00 0.00 H new ATOM 0 HG SER A 35 11.101 0.260 -7.474 1.00 0.00 H new ATOM 566 N LYS A 36 9.039 2.085 -3.994 1.00 0.00 N ATOM 567 CA LYS A 36 9.255 3.312 -3.236 1.00 0.00 C ATOM 568 C LYS A 36 9.271 3.029 -1.737 1.00 0.00 C ATOM 569 O LYS A 36 10.289 3.216 -1.072 1.00 0.00 O ATOM 570 CB LYS A 36 8.165 4.336 -3.561 1.00 0.00 C ATOM 571 CG LYS A 36 8.089 4.696 -5.035 1.00 0.00 C ATOM 572 CD LYS A 36 9.276 5.542 -5.464 1.00 0.00 C ATOM 573 CE LYS A 36 9.263 6.904 -4.786 1.00 0.00 C ATOM 574 NZ LYS A 36 10.090 7.898 -5.524 1.00 0.00 N ATOM 0 H LYS A 36 8.271 2.133 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 36 10.224 3.720 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.200 3.941 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.346 5.242 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.056 3.785 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.164 5.239 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.202 5.022 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.259 5.673 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.237 7.265 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.636 6.806 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.056 8.813 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.074 7.566 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.718 8.011 -6.489 1.00 0.00 H new ATOM 588 N ALA A 37 8.136 2.578 -1.213 1.00 0.00 N ATOM 589 CA ALA A 37 8.022 2.266 0.206 1.00 0.00 C ATOM 590 C ALA A 37 9.245 1.503 0.702 1.00 0.00 C ATOM 591 O ALA A 37 9.659 1.652 1.852 1.00 0.00 O ATOM 592 CB ALA A 37 6.755 1.465 0.470 1.00 0.00 C ATOM 0 H ALA A 37 7.283 2.421 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 37 7.966 3.206 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.683 1.239 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.886 2.047 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.788 0.535 -0.097 1.00 0.00 H new ATOM 598 N LYS A 38 9.821 0.685 -0.173 1.00 0.00 N ATOM 599 CA LYS A 38 10.998 -0.102 0.175 1.00 0.00 C ATOM 600 C LYS A 38 12.242 0.778 0.235 1.00 0.00 C ATOM 601 O LYS A 38 13.125 0.565 1.067 1.00 0.00 O ATOM 602 CB LYS A 38 11.205 -1.226 -0.843 1.00 0.00 C ATOM 603 CG LYS A 38 12.287 -2.214 -0.447 1.00 0.00 C ATOM 604 CD LYS A 38 12.572 -3.206 -1.562 1.00 0.00 C ATOM 605 CE LYS A 38 14.009 -3.704 -1.512 1.00 0.00 C ATOM 606 NZ LYS A 38 14.152 -5.048 -2.137 1.00 0.00 N ATOM 0 H LYS A 38 9.491 0.550 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 38 10.834 -0.538 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.265 -1.763 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.460 -0.788 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.200 -1.674 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.979 -2.752 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.890 -4.052 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.382 -2.735 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.658 -2.994 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.342 -3.748 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.145 -5.352 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.553 -5.731 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.858 -5.000 -3.134 1.00 0.00 H new ATOM 620 N ILE A 39 12.305 1.768 -0.649 1.00 0.00 N ATOM 621 CA ILE A 39 13.440 2.682 -0.693 1.00 0.00 C ATOM 622 C ILE A 39 13.365 3.706 0.434 1.00 0.00 C ATOM 623 O ILE A 39 14.382 4.069 1.024 1.00 0.00 O ATOM 624 CB ILE A 39 13.513 3.423 -2.041 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.633 2.422 -3.193 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.687 4.391 -2.050 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.015 2.911 -4.484 1.00 0.00 C ATOM 0 H ILE A 39 11.583 1.958 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 39 14.338 2.077 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 39 12.594 3.994 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.687 2.202 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.155 1.486 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.726 4.907 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.563 5.121 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.615 3.839 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.137 2.151 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.953 3.104 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.509 3.830 -4.798 1.00 0.00 H new ATOM 639 N ALA A 40 12.154 4.166 0.729 1.00 0.00 N ATOM 640 CA ALA A 40 11.946 5.146 1.788 1.00 0.00 C ATOM 641 C ALA A 40 12.377 4.591 3.141 1.00 0.00 C ATOM 642 O ALA A 40 13.106 5.244 3.888 1.00 0.00 O ATOM 643 CB ALA A 40 10.487 5.574 1.831 1.00 0.00 C ATOM 0 H ALA A 40 11.302 3.876 0.250 1.00 0.00 H new ATOM 0 HA ALA A 40 12.563 6.018 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.346 6.306 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.210 6.019 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.858 4.704 2.022 1.00 0.00 H new ATOM 649 N PHE A 41 11.921 3.382 3.452 1.00 0.00 N ATOM 650 CA PHE A 41 12.258 2.739 4.717 1.00 0.00 C ATOM 651 C PHE A 41 13.549 1.936 4.592 1.00 0.00 C ATOM 652 O PHE A 41 14.365 1.903 5.512 1.00 0.00 O ATOM 653 CB PHE A 41 11.118 1.826 5.169 1.00 0.00 C ATOM 654 CG PHE A 41 9.934 2.571 5.718 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.107 3.298 4.877 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.650 2.544 7.074 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.017 3.984 5.379 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.561 3.228 7.580 1.00 0.00 C ATOM 659 CZ PHE A 41 7.744 3.950 6.732 1.00 0.00 C ATOM 0 H PHE A 41 11.317 2.828 2.845 1.00 0.00 H new ATOM 0 HA PHE A 41 12.407 3.519 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.794 1.217 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.492 1.142 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.316 3.329 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.286 1.983 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.379 4.546 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.349 3.198 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.894 4.487 7.126 1.00 0.00 H new ATOM 669 N GLY A 42 13.727 1.288 3.444 1.00 0.00 N ATOM 670 CA GLY A 42 14.920 0.492 3.219 1.00 0.00 C ATOM 671 C GLY A 42 14.740 -0.954 3.636 1.00 0.00 C ATOM 672 O GLY A 42 15.717 -1.661 3.880 1.00 0.00 O ATOM 0 H GLY A 42 13.067 1.300 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.186 0.532 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.752 0.926 3.773 1.00 0.00 H new ATOM 676 N GLN A 43 13.488 -1.392 3.720 1.00 0.00 N ATOM 677 CA GLN A 43 13.184 -2.763 4.114 1.00 0.00 C ATOM 678 C GLN A 43 11.966 -3.288 3.362 1.00 0.00 C ATOM 679 O GLN A 43 11.087 -2.520 2.970 1.00 0.00 O ATOM 680 CB GLN A 43 12.940 -2.841 5.622 1.00 0.00 C ATOM 681 CG GLN A 43 14.213 -2.998 6.437 1.00 0.00 C ATOM 682 CD GLN A 43 14.037 -2.575 7.882 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.330 -1.436 8.248 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.556 -3.492 8.713 1.00 0.00 N ATOM 0 H GLN A 43 12.668 -0.818 3.521 1.00 0.00 H new ATOM 0 HA GLN A 43 14.042 -3.386 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.421 -1.939 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.278 -3.681 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.535 -4.039 6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.006 -2.404 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.326 -4.424 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.416 -3.265 9.697 1.00 0.00 H new ATOM 693 N SER A 44 11.920 -4.602 3.163 1.00 0.00 N ATOM 694 CA SER A 44 10.811 -5.229 2.453 1.00 0.00 C ATOM 695 C SER A 44 9.569 -5.294 3.336 1.00 0.00 C ATOM 696 O SER A 44 9.558 -5.975 4.361 1.00 0.00 O ATOM 697 CB SER A 44 11.201 -6.636 1.997 1.00 0.00 C ATOM 698 OG SER A 44 11.410 -7.492 3.107 1.00 0.00 O ATOM 0 H SER A 44 12.637 -5.252 3.483 1.00 0.00 H new ATOM 0 HA SER A 44 10.582 -4.622 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.417 -7.046 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.108 -6.588 1.395 1.00 0.00 H new ATOM 0 HG SER A 44 10.871 -7.183 3.865 1.00 0.00 H new ATOM 704 N MET A 45 8.524 -4.580 2.930 1.00 0.00 N ATOM 705 CA MET A 45 7.276 -4.557 3.684 1.00 0.00 C ATOM 706 C MET A 45 6.074 -4.647 2.748 1.00 0.00 C ATOM 707 O MET A 45 6.105 -4.130 1.631 1.00 0.00 O ATOM 708 CB MET A 45 7.186 -3.283 4.526 1.00 0.00 C ATOM 709 CG MET A 45 7.563 -2.023 3.763 1.00 0.00 C ATOM 710 SD MET A 45 7.971 -0.646 4.854 1.00 0.00 S ATOM 711 CE MET A 45 9.281 -1.371 5.837 1.00 0.00 C ATOM 0 H MET A 45 8.517 -4.010 2.084 1.00 0.00 H new ATOM 0 HA MET A 45 7.265 -5.423 4.346 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.169 -3.178 4.904 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.840 -3.383 5.392 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.415 -2.235 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.736 -1.735 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.827 -0.582 6.354 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.851 -2.054 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.963 -1.919 5.187 1.00 0.00 H new ATOM 721 N ASP A 46 5.018 -5.307 3.210 1.00 0.00 N ATOM 722 CA ASP A 46 3.806 -5.464 2.414 1.00 0.00 C ATOM 723 C ASP A 46 2.973 -4.186 2.435 1.00 0.00 C ATOM 724 O ASP A 46 3.173 -3.316 3.283 1.00 0.00 O ATOM 725 CB ASP A 46 2.976 -6.637 2.937 1.00 0.00 C ATOM 726 CG ASP A 46 3.366 -7.954 2.295 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.273 -8.628 2.827 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.764 -8.311 1.261 1.00 0.00 O ATOM 0 H ASP A 46 4.976 -5.742 4.132 1.00 0.00 H new ATOM 0 HA ASP A 46 4.100 -5.668 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.099 -6.712 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.920 -6.443 2.749 1.00 0.00 H new ATOM 733 N LEU A 47 2.040 -4.079 1.495 1.00 0.00 N ATOM 734 CA LEU A 47 1.177 -2.907 1.404 1.00 0.00 C ATOM 735 C LEU A 47 -0.278 -3.280 1.672 1.00 0.00 C ATOM 736 O LEU A 47 -0.940 -3.886 0.829 1.00 0.00 O ATOM 737 CB LEU A 47 1.304 -2.262 0.023 1.00 0.00 C ATOM 738 CG LEU A 47 2.413 -1.221 -0.132 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.780 -1.871 0.015 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.298 -0.514 -1.474 1.00 0.00 C ATOM 0 H LEU A 47 1.862 -4.790 0.785 1.00 0.00 H new ATOM 0 HA LEU A 47 1.495 -2.192 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.469 -3.051 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.353 -1.790 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 47 2.300 -0.478 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.557 -1.115 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.861 -2.329 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.904 -2.636 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.096 0.223 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.384 -1.244 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.332 -0.014 -1.540 1.00 0.00 H new ATOM 752 N HIS A 48 -0.770 -2.912 2.851 1.00 0.00 N ATOM 753 CA HIS A 48 -2.148 -3.205 3.229 1.00 0.00 C ATOM 754 C HIS A 48 -2.974 -1.925 3.311 1.00 0.00 C ATOM 755 O HIS A 48 -2.771 -1.100 4.202 1.00 0.00 O ATOM 756 CB HIS A 48 -2.186 -3.937 4.571 1.00 0.00 C ATOM 757 CG HIS A 48 -1.688 -5.348 4.498 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.521 -5.701 3.854 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.203 -6.496 4.995 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.342 -7.006 3.956 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.349 -7.512 4.645 1.00 0.00 N ATOM 0 H HIS A 48 -0.235 -2.411 3.560 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.580 -3.846 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.585 -3.385 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.210 -3.941 4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.117 -6.595 5.562 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.487 -7.564 3.546 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.472 -8.497 4.879 1.00 0.00 H new ATOM 770 N TYR A 49 -3.903 -1.765 2.376 1.00 0.00 N ATOM 771 CA TYR A 49 -4.757 -0.584 2.341 1.00 0.00 C ATOM 772 C TYR A 49 -6.176 -0.924 2.785 1.00 0.00 C ATOM 773 O TYR A 49 -6.747 -1.932 2.367 1.00 0.00 O ATOM 774 CB TYR A 49 -4.780 0.013 0.932 1.00 0.00 C ATOM 775 CG TYR A 49 -5.919 -0.497 0.078 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.873 -1.763 -0.493 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.041 0.288 -0.159 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.910 -2.232 -1.275 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.084 -0.174 -0.939 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.014 -1.435 -1.494 1.00 0.00 C ATOM 781 OH TYR A 49 -9.050 -1.898 -2.272 1.00 0.00 O ATOM 0 H TYR A 49 -4.084 -2.439 1.632 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.346 0.151 3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.851 1.098 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.836 -0.211 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.011 -2.391 -0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.099 1.276 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.857 -3.218 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.949 0.449 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.839 -1.332 -2.137 1.00 0.00 H new ATOM 791 N THR A 50 -6.743 -0.074 3.636 1.00 0.00 N ATOM 792 CA THR A 50 -8.095 -0.282 4.138 1.00 0.00 C ATOM 793 C THR A 50 -9.104 0.559 3.366 1.00 0.00 C ATOM 794 O THR A 50 -8.984 1.782 3.298 1.00 0.00 O ATOM 795 CB THR A 50 -8.197 0.061 5.637 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.018 1.469 5.830 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.154 -0.702 6.439 1.00 0.00 C ATOM 0 H THR A 50 -6.286 0.766 3.992 1.00 0.00 H new ATOM 0 HA THR A 50 -8.325 -1.338 3.998 1.00 0.00 H new ATOM 0 HB THR A 50 -9.187 -0.231 5.988 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.266 1.946 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.246 -0.444 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.310 -1.773 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.158 -0.437 6.086 1.00 0.00 H new ATOM 805 N ASN A 51 -10.100 -0.103 2.786 1.00 0.00 N ATOM 806 CA ASN A 51 -11.131 0.585 2.018 1.00 0.00 C ATOM 807 C ASN A 51 -12.030 1.412 2.933 1.00 0.00 C ATOM 808 O ASN A 51 -12.120 2.631 2.794 1.00 0.00 O ATOM 809 CB ASN A 51 -11.973 -0.425 1.235 1.00 0.00 C ATOM 810 CG ASN A 51 -13.397 0.050 1.023 1.00 0.00 C ATOM 811 OD1 ASN A 51 -14.289 -0.253 1.816 1.00 0.00 O ATOM 812 ND2 ASN A 51 -13.617 0.799 -0.051 1.00 0.00 N ATOM 0 H ASN A 51 -10.215 -1.115 2.833 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.638 1.258 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.507 -0.610 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.986 -1.375 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.555 1.148 -0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.848 1.025 -0.681 1.00 0.00 H new ATOM 819 N ASN A 52 -12.692 0.739 3.868 1.00 0.00 N ATOM 820 CA ASN A 52 -13.584 1.411 4.807 1.00 0.00 C ATOM 821 C ASN A 52 -13.309 0.958 6.237 1.00 0.00 C ATOM 822 O ASN A 52 -12.847 1.740 7.068 1.00 0.00 O ATOM 823 CB ASN A 52 -15.044 1.133 4.443 1.00 0.00 C ATOM 824 CG ASN A 52 -15.979 2.220 4.937 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.988 2.556 6.121 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.773 2.775 4.028 1.00 0.00 N ATOM 0 H ASN A 52 -12.628 -0.271 3.996 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.399 2.483 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.135 1.043 3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.346 0.176 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.424 3.511 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.732 2.465 3.057 1.00 0.00 H new ATOM 833 N GLU A 53 -13.598 -0.309 6.517 1.00 0.00 N ATOM 834 CA GLU A 53 -13.382 -0.865 7.847 1.00 0.00 C ATOM 835 C GLU A 53 -12.507 -2.114 7.780 1.00 0.00 C ATOM 836 O GLU A 53 -11.852 -2.481 8.757 1.00 0.00 O ATOM 837 CB GLU A 53 -14.721 -1.202 8.507 1.00 0.00 C ATOM 838 CG GLU A 53 -15.752 -1.761 7.540 1.00 0.00 C ATOM 839 CD GLU A 53 -16.721 -2.716 8.209 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.261 -3.584 8.981 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.939 -2.598 7.960 1.00 0.00 O ATOM 0 H GLU A 53 -13.982 -0.969 5.841 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.868 -0.114 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.552 -1.927 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.123 -0.303 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.309 -0.938 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.240 -2.278 6.728 1.00 0.00 H new ATOM 848 N LEU A 54 -12.502 -2.763 6.621 1.00 0.00 N ATOM 849 CA LEU A 54 -11.709 -3.972 6.425 1.00 0.00 C ATOM 850 C LEU A 54 -10.322 -3.631 5.887 1.00 0.00 C ATOM 851 O LEU A 54 -10.018 -2.470 5.615 1.00 0.00 O ATOM 852 CB LEU A 54 -12.422 -4.923 5.463 1.00 0.00 C ATOM 853 CG LEU A 54 -13.560 -5.753 6.059 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.202 -6.623 4.991 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.050 -6.607 7.211 1.00 0.00 C ATOM 0 H LEU A 54 -13.038 -2.473 5.803 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.594 -4.463 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.821 -4.338 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.683 -5.605 5.044 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.317 -5.071 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.009 -7.206 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.603 -5.990 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.454 -7.297 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.873 -7.191 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.273 -7.280 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.638 -5.962 7.987 1.00 0.00 H new ATOM 867 N VAL A 55 -9.486 -4.653 5.734 1.00 0.00 N ATOM 868 CA VAL A 55 -8.132 -4.463 5.225 1.00 0.00 C ATOM 869 C VAL A 55 -7.874 -5.345 4.008 1.00 0.00 C ATOM 870 O VAL A 55 -8.091 -6.556 4.050 1.00 0.00 O ATOM 871 CB VAL A 55 -7.078 -4.774 6.304 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.681 -4.458 5.793 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.377 -4.000 7.579 1.00 0.00 C ATOM 0 H VAL A 55 -9.722 -5.620 5.955 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.046 -3.416 4.936 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.122 -5.839 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.950 -4.684 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.471 -5.062 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.619 -3.401 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.622 -4.232 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.362 -2.931 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.361 -4.282 7.954 1.00 0.00 H new ATOM 883 N ILE A 56 -7.409 -4.729 2.926 1.00 0.00 N ATOM 884 CA ILE A 56 -7.120 -5.458 1.698 1.00 0.00 C ATOM 885 C ILE A 56 -5.632 -5.411 1.368 1.00 0.00 C ATOM 886 O ILE A 56 -5.098 -4.387 0.941 1.00 0.00 O ATOM 887 CB ILE A 56 -7.916 -4.894 0.507 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.370 -4.641 0.912 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.849 -5.849 -0.675 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.608 -3.257 1.475 1.00 0.00 C ATOM 0 H ILE A 56 -7.225 -3.727 2.875 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.420 -6.492 1.868 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.471 -3.945 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.011 -4.786 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.666 -5.382 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.417 -5.436 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.810 -5.984 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.273 -6.812 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.660 -3.148 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.993 -3.115 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.343 -2.510 0.727 1.00 0.00 H new ATOM 902 N PRO A 57 -4.944 -6.545 1.569 1.00 0.00 N ATOM 903 CA PRO A 57 -3.508 -6.659 1.297 1.00 0.00 C ATOM 904 C PRO A 57 -3.196 -6.618 -0.195 1.00 0.00 C ATOM 905 O PRO A 57 -3.373 -7.609 -0.905 1.00 0.00 O ATOM 906 CB PRO A 57 -3.144 -8.026 1.882 1.00 0.00 C ATOM 907 CG PRO A 57 -4.415 -8.802 1.850 1.00 0.00 C ATOM 908 CD PRO A 57 -5.516 -7.804 2.075 1.00 0.00 C ATOM 0 HA PRO A 57 -2.944 -5.832 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.367 -8.514 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.763 -7.933 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.538 -9.310 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.422 -9.571 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.423 -8.078 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.782 -7.730 3.130 1.00 0.00 H new ATOM 916 N LEU A 58 -2.730 -5.466 -0.666 1.00 0.00 N ATOM 917 CA LEU A 58 -2.392 -5.296 -2.074 1.00 0.00 C ATOM 918 C LEU A 58 -1.311 -6.284 -2.498 1.00 0.00 C ATOM 919 O LEU A 58 -0.119 -6.041 -2.302 1.00 0.00 O ATOM 920 CB LEU A 58 -1.921 -3.864 -2.337 1.00 0.00 C ATOM 921 CG LEU A 58 -3.018 -2.802 -2.421 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.497 -1.457 -1.938 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.544 -2.691 -3.845 1.00 0.00 C ATOM 0 H LEU A 58 -2.578 -4.636 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.288 -5.491 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.228 -3.580 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.360 -3.853 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.840 -3.104 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.291 -0.714 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.169 -1.545 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.657 -1.147 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.324 -1.931 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.729 -2.412 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.956 -3.651 -4.157 1.00 0.00 H new ATOM 935 N THR A 59 -1.733 -7.401 -3.083 1.00 0.00 N ATOM 936 CA THR A 59 -0.802 -8.426 -3.536 1.00 0.00 C ATOM 937 C THR A 59 -0.720 -8.461 -5.058 1.00 0.00 C ATOM 938 O THR A 59 0.358 -8.630 -5.629 1.00 0.00 O ATOM 939 CB THR A 59 -1.208 -9.821 -3.023 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.531 -10.140 -3.467 1.00 0.00 O ATOM 941 CG2 THR A 59 -1.151 -9.876 -1.504 1.00 0.00 C ATOM 0 H THR A 59 -2.715 -7.618 -3.254 1.00 0.00 H new ATOM 0 HA THR A 59 0.175 -8.167 -3.128 1.00 0.00 H new ATOM 0 HB THR A 59 -0.505 -10.551 -3.424 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.781 -11.029 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.442 -10.870 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.136 -9.661 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.834 -9.136 -1.087 1.00 0.00 H new ATOM 949 N THR A 60 -1.866 -8.299 -5.712 1.00 0.00 N ATOM 950 CA THR A 60 -1.925 -8.313 -7.168 1.00 0.00 C ATOM 951 C THR A 60 -2.470 -6.996 -7.708 1.00 0.00 C ATOM 952 O THR A 60 -3.148 -6.256 -6.996 1.00 0.00 O ATOM 953 CB THR A 60 -2.801 -9.469 -7.684 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.155 -9.288 -7.253 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.280 -10.808 -7.185 1.00 0.00 C ATOM 0 H THR A 60 -2.767 -8.156 -5.255 1.00 0.00 H new ATOM 0 HA THR A 60 -0.905 -8.454 -7.525 1.00 0.00 H new ATOM 0 HB THR A 60 -2.763 -9.466 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.706 -10.027 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.915 -11.609 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.260 -10.956 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.291 -10.819 -6.095 1.00 0.00 H new ATOM 963 N GLN A 61 -2.169 -6.711 -8.971 1.00 0.00 N ATOM 964 CA GLN A 61 -2.631 -5.482 -9.607 1.00 0.00 C ATOM 965 C GLN A 61 -4.123 -5.273 -9.370 1.00 0.00 C ATOM 966 O GLN A 61 -4.553 -4.189 -8.976 1.00 0.00 O ATOM 967 CB GLN A 61 -2.341 -5.519 -11.108 1.00 0.00 C ATOM 968 CG GLN A 61 -0.992 -4.927 -11.482 1.00 0.00 C ATOM 969 CD GLN A 61 -1.082 -3.459 -11.851 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.739 -2.675 -11.005 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.566 -3.034 -12.885 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.608 -7.313 -9.574 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.091 -4.647 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.383 -6.552 -11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.125 -4.976 -11.635 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.303 -5.046 -10.646 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.575 -5.484 -12.321 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.070 -3.672 -13.507 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.634 -2.044 -13.119 1.00 0.00 H new ATOM 980 N ASP A 62 -4.907 -6.318 -9.612 1.00 0.00 N ATOM 981 CA ASP A 62 -6.351 -6.250 -9.424 1.00 0.00 C ATOM 982 C ASP A 62 -6.699 -5.448 -8.174 1.00 0.00 C ATOM 983 O ASP A 62 -7.619 -4.630 -8.185 1.00 0.00 O ATOM 984 CB ASP A 62 -6.941 -7.657 -9.323 1.00 0.00 C ATOM 985 CG ASP A 62 -8.388 -7.712 -9.774 1.00 0.00 C ATOM 986 OD1 ASP A 62 -9.220 -6.991 -9.185 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.687 -8.478 -10.714 1.00 0.00 O ATOM 0 H ASP A 62 -4.566 -7.222 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.782 -5.746 -10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.348 -8.341 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.871 -8.004 -8.292 1.00 0.00 H new ATOM 992 N ASP A 63 -5.959 -5.689 -7.098 1.00 0.00 N ATOM 993 CA ASP A 63 -6.189 -4.990 -5.839 1.00 0.00 C ATOM 994 C ASP A 63 -5.896 -3.500 -5.984 1.00 0.00 C ATOM 995 O ASP A 63 -6.712 -2.656 -5.608 1.00 0.00 O ATOM 996 CB ASP A 63 -5.320 -5.588 -4.732 1.00 0.00 C ATOM 997 CG ASP A 63 -5.806 -6.954 -4.288 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.014 -7.821 -5.162 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.979 -7.154 -3.068 1.00 0.00 O ATOM 0 H ASP A 63 -5.194 -6.363 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.239 -5.112 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.292 -5.668 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.311 -4.913 -3.876 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.727 -3.182 -6.529 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.325 -1.793 -6.723 1.00 0.00 C ATOM 1006 C LEU A 64 -5.309 -1.063 -7.632 1.00 0.00 C ATOM 1007 O LEU A 64 -5.882 -0.043 -7.250 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.918 -1.727 -7.318 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.478 -0.363 -7.851 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.504 0.677 -6.742 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.089 -0.454 -8.467 1.00 0.00 C ATOM 0 H LEU A 64 -4.041 -3.867 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.325 -1.302 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.207 -2.043 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.855 -2.450 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.178 -0.054 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.188 1.641 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.516 0.762 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.827 0.374 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.792 0.526 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.377 -0.785 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.102 -1.168 -9.290 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.501 -1.594 -8.834 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.418 -0.995 -9.797 1.00 0.00 C ATOM 1025 C ASP A 65 -7.775 -0.720 -9.156 1.00 0.00 C ATOM 1026 O ASP A 65 -8.417 0.290 -9.445 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.589 -1.912 -11.009 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.875 -1.141 -12.283 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.794 -0.295 -12.271 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.179 -1.382 -13.291 1.00 0.00 O ATOM 0 H ASP A 65 -5.034 -2.438 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.993 -0.047 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.685 -2.506 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.404 -2.611 -10.820 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.207 -1.625 -8.285 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.487 -1.482 -7.602 1.00 0.00 C ATOM 1037 C LYS A 66 -9.395 -0.446 -6.486 1.00 0.00 C ATOM 1038 O LYS A 66 -10.388 0.188 -6.131 1.00 0.00 O ATOM 1039 CB LYS A 66 -9.936 -2.827 -7.028 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.775 -3.649 -7.991 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.591 -4.703 -7.261 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.872 -5.035 -8.011 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.766 -5.921 -7.216 1.00 0.00 N ATOM 0 H LYS A 66 -7.688 -2.467 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.223 -1.142 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.056 -3.403 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.510 -2.651 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.443 -2.991 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.125 -4.132 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.994 -5.607 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.836 -4.346 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.399 -4.113 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.625 -5.521 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.628 -6.124 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.273 -6.812 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.023 -5.447 -6.327 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.196 -0.280 -5.937 1.00 0.00 N ATOM 1058 CA ALA A 67 -7.974 0.681 -4.863 1.00 0.00 C ATOM 1059 C ALA A 67 -7.824 2.095 -5.414 1.00 0.00 C ATOM 1060 O ALA A 67 -8.215 3.068 -4.769 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.744 0.295 -4.055 1.00 0.00 C ATOM 0 H ALA A 67 -7.364 -0.798 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.845 0.664 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.590 1.021 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.889 -0.695 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.870 0.282 -4.706 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.256 2.202 -6.611 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.055 3.497 -7.249 1.00 0.00 C ATOM 1069 C VAL A 68 -8.342 3.997 -7.896 1.00 0.00 C ATOM 1070 O VAL A 68 -8.621 5.195 -7.900 1.00 0.00 O ATOM 1071 CB VAL A 68 -5.949 3.430 -8.319 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.693 4.808 -8.910 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.672 2.849 -7.729 1.00 0.00 C ATOM 0 H VAL A 68 -6.927 1.407 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.752 4.192 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.284 2.773 -9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.909 4.741 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.607 5.182 -9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.379 5.490 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.901 2.809 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.332 3.479 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.867 1.843 -7.358 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.123 3.069 -8.441 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.381 3.417 -9.090 1.00 0.00 C ATOM 1085 C GLU A 69 -11.446 3.777 -8.058 1.00 0.00 C ATOM 1086 O GLU A 69 -12.234 4.702 -8.258 1.00 0.00 O ATOM 1087 CB GLU A 69 -10.870 2.256 -9.959 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.426 1.090 -9.159 1.00 0.00 C ATOM 1089 CD GLU A 69 -11.759 -0.108 -10.028 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -10.979 -0.399 -10.959 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.799 -0.753 -9.778 1.00 0.00 O ATOM 0 H GLU A 69 -8.907 2.072 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.205 4.287 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.641 2.621 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.044 1.902 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.700 0.794 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.324 1.412 -8.631 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.463 3.039 -6.953 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.430 3.280 -5.888 1.00 0.00 C ATOM 1100 C LEU A 70 -12.110 4.571 -5.142 1.00 0.00 C ATOM 1101 O LEU A 70 -13.007 5.249 -4.639 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.445 2.103 -4.910 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.458 2.187 -3.745 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.996 3.101 -2.655 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.173 0.800 -3.188 1.00 0.00 C ATOM 0 H LEU A 70 -10.819 2.269 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.416 3.380 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.451 2.008 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.240 1.190 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.523 2.608 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.280 3.149 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.149 4.101 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.944 2.710 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.469 0.878 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.102 0.352 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.744 0.175 -3.971 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.826 4.907 -5.077 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.387 6.120 -4.395 1.00 0.00 C ATOM 1119 C LEU A 71 -10.922 7.364 -5.096 1.00 0.00 C ATOM 1120 O LEU A 71 -11.589 8.196 -4.481 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.859 6.171 -4.337 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.240 7.556 -4.146 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.653 8.144 -2.805 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.724 7.482 -4.254 1.00 0.00 C ATOM 0 H LEU A 71 -10.071 4.357 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.783 6.100 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.525 5.530 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.466 5.744 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.609 8.210 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.203 9.130 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.739 8.233 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.313 7.491 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.300 8.477 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.337 6.813 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.447 7.104 -5.238 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.628 7.482 -6.386 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.082 8.623 -7.172 1.00 0.00 C ATOM 1138 C ASP A 72 -12.585 8.830 -7.012 1.00 0.00 C ATOM 1139 O ASP A 72 -13.034 9.896 -6.592 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.737 8.422 -8.649 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.633 9.733 -9.403 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.290 10.710 -8.987 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.895 9.782 -10.410 1.00 0.00 O ATOM 0 H ASP A 72 -10.077 6.802 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.570 9.512 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.792 7.885 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.499 7.798 -9.115 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.358 7.802 -7.349 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.810 7.872 -7.245 1.00 0.00 C ATOM 1150 C ARG A 73 -15.236 8.246 -5.828 1.00 0.00 C ATOM 1151 O ARG A 73 -16.143 9.055 -5.635 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.436 6.533 -7.640 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.107 5.400 -6.682 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.806 4.111 -7.083 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.253 4.195 -6.909 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.077 3.171 -7.098 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.599 1.990 -7.465 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.383 3.326 -6.919 1.00 0.00 N ATOM 0 H ARG A 73 -13.002 6.911 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.161 8.645 -7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.518 6.649 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.095 6.263 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.029 5.240 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.406 5.678 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.579 3.885 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.417 3.287 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.653 5.090 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.596 1.866 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.234 1.205 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.755 4.233 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.015 2.539 -7.065 1.00 0.00 H new ATOM 1172 N SER A 74 -14.575 7.651 -4.841 1.00 0.00 N ATOM 1173 CA SER A 74 -14.888 7.918 -3.442 1.00 0.00 C ATOM 1174 C SER A 74 -14.628 9.382 -3.097 1.00 0.00 C ATOM 1175 O SER A 74 -13.519 9.885 -3.275 1.00 0.00 O ATOM 1176 CB SER A 74 -14.058 7.013 -2.529 1.00 0.00 C ATOM 1177 OG SER A 74 -14.720 5.783 -2.292 1.00 0.00 O ATOM 0 H SER A 74 -13.819 6.981 -4.984 1.00 0.00 H new ATOM 0 HA SER A 74 -15.946 7.707 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.086 6.825 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.873 7.519 -1.581 1.00 0.00 H new ATOM 0 HG SER A 74 -14.431 5.123 -2.956 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.659 10.058 -2.602 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.544 11.463 -2.231 1.00 0.00 C ATOM 1185 C ILE A 75 -14.993 11.615 -0.817 1.00 0.00 C ATOM 1186 O ILE A 75 -14.003 12.312 -0.597 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.902 12.183 -2.321 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.493 12.031 -3.725 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.748 13.653 -1.963 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -16.740 12.804 -4.784 1.00 0.00 C ATOM 0 H ILE A 75 -16.584 9.656 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.853 11.920 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.586 11.725 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.501 10.975 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -18.531 12.365 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.717 14.148 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.366 13.742 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.050 14.125 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.214 12.650 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -16.754 13.866 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.708 12.454 -4.825 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.641 10.955 0.138 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.215 11.015 1.532 1.00 0.00 C ATOM 1204 C HIS A 76 -13.720 10.738 1.655 1.00 0.00 C ATOM 1205 O HIS A 76 -12.986 11.509 2.272 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.003 10.008 2.371 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.186 8.682 1.699 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.068 8.283 0.753 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.407 7.580 1.983 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.807 6.962 0.484 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.800 6.562 1.239 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.462 10.373 -0.028 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.412 12.020 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.489 9.857 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.982 10.427 2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.601 7.554 2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.339 6.350 -0.229 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.395 5.626 1.246 1.00 0.00 H new ATOM 1220 N MET A 77 -13.276 9.634 1.064 1.00 0.00 N ATOM 1221 CA MET A 77 -11.868 9.257 1.108 1.00 0.00 C ATOM 1222 C MET A 77 -11.003 10.308 0.421 1.00 0.00 C ATOM 1223 O MET A 77 -11.275 10.707 -0.712 1.00 0.00 O ATOM 1224 CB MET A 77 -11.662 7.894 0.442 1.00 0.00 C ATOM 1225 CG MET A 77 -10.455 7.136 0.971 1.00 0.00 C ATOM 1226 SD MET A 77 -10.611 5.352 0.764 1.00 0.00 S ATOM 1227 CE MET A 77 -9.409 5.055 -0.530 1.00 0.00 C ATOM 0 H MET A 77 -13.871 8.985 0.549 1.00 0.00 H new ATOM 0 HA MET A 77 -11.567 9.191 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.555 7.287 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.549 8.037 -0.633 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.559 7.481 0.455 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.322 7.365 2.028 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.994 4.053 -0.418 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.893 5.141 -1.503 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.607 5.790 -0.458 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.959 10.752 1.112 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.052 11.756 0.569 1.00 0.00 C ATOM 1239 C LYS A 78 -7.897 11.098 -0.180 1.00 0.00 C ATOM 1240 O LYS A 78 -7.550 11.507 -1.288 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.506 12.641 1.692 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.423 13.796 2.056 1.00 0.00 C ATOM 1243 CD LYS A 78 -10.433 13.393 3.117 1.00 0.00 C ATOM 1244 CE LYS A 78 -11.449 14.497 3.367 1.00 0.00 C ATOM 1245 NZ LYS A 78 -12.294 14.213 4.560 1.00 0.00 N ATOM 0 H LYS A 78 -9.720 10.432 2.050 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.613 12.374 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.338 12.028 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.537 13.038 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.828 14.634 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.948 14.140 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.950 12.486 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.913 13.159 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.929 15.444 3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.086 14.610 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.973 14.988 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.810 13.322 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.689 14.130 5.402 1.00 0.00 H new ATOM 1259 N SER A 79 -7.307 10.076 0.431 1.00 0.00 N ATOM 1260 CA SER A 79 -6.191 9.362 -0.177 1.00 0.00 C ATOM 1261 C SER A 79 -6.287 7.865 0.099 1.00 0.00 C ATOM 1262 O SER A 79 -7.152 7.415 0.852 1.00 0.00 O ATOM 1263 CB SER A 79 -4.862 9.906 0.351 1.00 0.00 C ATOM 1264 OG SER A 79 -4.810 9.839 1.766 1.00 0.00 O ATOM 0 H SER A 79 -7.584 9.724 1.347 1.00 0.00 H new ATOM 0 HA SER A 79 -6.237 9.518 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.037 9.334 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.734 10.939 0.028 1.00 0.00 H new ATOM 0 HG SER A 79 -3.950 10.191 2.079 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.393 7.098 -0.515 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.375 5.650 -0.336 1.00 0.00 C ATOM 1272 C LEU A 80 -4.575 5.264 0.904 1.00 0.00 C ATOM 1273 O LEU A 80 -3.349 5.162 0.858 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.782 4.971 -1.571 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.929 3.451 -1.638 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.357 3.068 -1.995 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.950 2.863 -2.643 1.00 0.00 C ATOM 0 H LEU A 80 -4.671 7.454 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.403 5.313 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.250 5.400 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.721 5.216 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.699 3.040 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.443 1.982 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.038 3.456 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.615 3.491 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.070 1.780 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.147 3.281 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.931 3.106 -2.343 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.277 5.050 2.012 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.635 4.672 3.264 1.00 0.00 C ATOM 1291 C LYS A 81 -3.909 3.338 3.123 1.00 0.00 C ATOM 1292 O LYS A 81 -4.519 2.321 2.788 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.671 4.584 4.387 1.00 0.00 C ATOM 1294 CG LYS A 81 -5.059 4.523 5.776 1.00 0.00 C ATOM 1295 CD LYS A 81 -6.097 4.789 6.854 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.726 4.110 8.164 1.00 0.00 C ATOM 1297 NZ LYS A 81 -4.897 4.992 9.031 1.00 0.00 N ATOM 0 H LYS A 81 -6.292 5.132 2.067 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.903 5.440 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.332 5.448 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.288 3.699 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.611 3.542 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.256 5.256 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.191 5.863 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.071 4.430 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.634 3.827 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.180 3.190 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.074 4.461 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.572 5.813 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.465 5.319 9.838 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.605 3.348 3.379 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.798 2.139 3.282 1.00 0.00 C ATOM 1313 C ILE A 82 -1.182 1.780 4.630 1.00 0.00 C ATOM 1314 O ILE A 82 -0.940 2.651 5.467 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.674 2.294 2.241 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.251 2.752 0.900 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.082 0.983 2.079 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.319 1.831 0.355 1.00 0.00 C ATOM 0 H ILE A 82 -2.085 4.181 3.655 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.466 1.338 2.966 1.00 0.00 H new ATOM 0 HB ILE A 82 0.025 3.053 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.670 3.752 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.443 2.828 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.873 1.108 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.520 0.695 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.605 0.205 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.682 2.218 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.900 0.836 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.146 1.774 1.063 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.927 0.492 4.834 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.336 0.016 6.080 1.00 0.00 C ATOM 1332 C LEU A 83 0.848 -0.905 5.804 1.00 0.00 C ATOM 1333 O LEU A 83 0.672 -2.063 5.424 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.384 -0.719 6.917 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.430 0.160 7.605 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.779 1.034 8.665 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.164 1.015 6.583 1.00 0.00 C ATOM 0 H LEU A 83 -1.120 -0.242 4.152 1.00 0.00 H new ATOM 0 HA LEU A 83 0.023 0.882 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.902 -1.429 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.868 -1.300 7.681 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.156 -0.489 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.539 1.652 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.301 0.403 9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.031 1.675 8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.904 1.634 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.450 1.655 6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.664 0.370 5.861 1.00 0.00 H new ATOM 1349 N LEU A 84 2.054 -0.383 6.000 1.00 0.00 N ATOM 1350 CA LEU A 84 3.269 -1.160 5.775 1.00 0.00 C ATOM 1351 C LEU A 84 3.488 -2.167 6.899 1.00 0.00 C ATOM 1352 O LEU A 84 3.458 -1.814 8.078 1.00 0.00 O ATOM 1353 CB LEU A 84 4.479 -0.230 5.665 1.00 0.00 C ATOM 1354 CG LEU A 84 4.409 0.837 4.572 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.476 1.897 4.791 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.559 0.202 3.197 1.00 0.00 C ATOM 0 H LEU A 84 2.217 0.574 6.314 1.00 0.00 H new ATOM 0 HA LEU A 84 3.153 -1.708 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.616 0.270 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.366 -0.840 5.493 1.00 0.00 H new ATOM 0 HG LEU A 84 3.433 1.319 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.410 2.648 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.323 2.373 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.461 1.432 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.507 0.976 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.521 -0.306 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.757 -0.519 3.040 1.00 0.00 H new ATOM 1368 N VAL A 85 3.709 -3.424 6.526 1.00 0.00 N ATOM 1369 CA VAL A 85 3.937 -4.482 7.502 1.00 0.00 C ATOM 1370 C VAL A 85 5.171 -5.303 7.146 1.00 0.00 C ATOM 1371 O VAL A 85 5.261 -5.865 6.054 1.00 0.00 O ATOM 1372 CB VAL A 85 2.721 -5.422 7.604 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.939 -6.461 8.694 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.452 -4.625 7.862 1.00 0.00 C ATOM 0 H VAL A 85 3.735 -3.734 5.555 1.00 0.00 H new ATOM 0 HA VAL A 85 4.094 -3.996 8.465 1.00 0.00 H new ATOM 0 HB VAL A 85 2.607 -5.945 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.070 -7.116 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.824 -7.053 8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.079 -5.960 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.603 -5.305 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.552 -4.074 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.290 -3.924 7.043 1.00 0.00 H new ATOM 1384 N ILE A 86 6.120 -5.367 8.074 1.00 0.00 N ATOM 1385 CA ILE A 86 7.349 -6.120 7.858 1.00 0.00 C ATOM 1386 C ILE A 86 7.057 -7.483 7.239 1.00 0.00 C ATOM 1387 O ILE A 86 6.016 -8.083 7.498 1.00 0.00 O ATOM 1388 CB ILE A 86 8.124 -6.322 9.173 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.665 -4.985 9.683 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.258 -7.317 8.973 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.638 -4.325 8.731 1.00 0.00 C ATOM 0 H ILE A 86 6.061 -4.907 8.982 1.00 0.00 H new ATOM 0 HA ILE A 86 7.961 -5.535 7.171 1.00 0.00 H new ATOM 0 HB ILE A 86 7.441 -6.725 9.921 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.829 -4.309 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.158 -5.144 10.642 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.796 -7.449 9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.849 -8.275 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.942 -6.941 8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.981 -3.382 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.492 -4.982 8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.143 -4.134 7.779 1.00 0.00 H new ATOM 1403 N ASN A 87 7.986 -7.965 6.419 1.00 0.00 N ATOM 1404 CA ASN A 87 7.829 -9.259 5.763 1.00 0.00 C ATOM 1405 C ASN A 87 9.063 -10.130 5.976 1.00 0.00 C ATOM 1406 O ASN A 87 8.981 -11.209 6.560 1.00 0.00 O ATOM 1407 CB ASN A 87 7.578 -9.067 4.266 1.00 0.00 C ATOM 1408 CG ASN A 87 7.205 -10.363 3.572 1.00 0.00 C ATOM 1409 OD1 ASN A 87 7.082 -11.409 4.210 1.00 0.00 O ATOM 1410 ND2 ASN A 87 7.024 -10.300 2.258 1.00 0.00 N ATOM 0 H ASN A 87 8.854 -7.480 6.193 1.00 0.00 H new ATOM 0 HA ASN A 87 6.970 -9.762 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.779 -8.339 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.472 -8.653 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.773 -11.140 1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.136 -9.412 1.770 1.00 0.00 H new ATOM 1417 N GLY A 88 10.208 -9.652 5.497 1.00 0.00 N ATOM 1418 CA GLY A 88 11.443 -10.399 5.645 1.00 0.00 C ATOM 1419 C GLY A 88 12.277 -10.397 4.380 1.00 0.00 C ATOM 1420 O GLY A 88 13.290 -9.701 4.296 1.00 0.00 O ATOM 0 H GLY A 88 10.302 -8.761 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.026 -9.973 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.211 -11.427 5.922 1.00 0.00 H new ATOM 1424 N SER A 89 11.853 -11.178 3.392 1.00 0.00 N ATOM 1425 CA SER A 89 12.571 -11.268 2.126 1.00 0.00 C ATOM 1426 C SER A 89 11.607 -11.520 0.971 1.00 0.00 C ATOM 1427 O SER A 89 10.469 -11.945 1.177 1.00 0.00 O ATOM 1428 CB SER A 89 13.616 -12.384 2.186 1.00 0.00 C ATOM 1429 OG SER A 89 14.745 -11.985 2.944 1.00 0.00 O ATOM 0 H SER A 89 11.015 -11.758 3.444 1.00 0.00 H new ATOM 0 HA SER A 89 13.075 -10.317 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.174 -13.277 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.928 -12.649 1.176 1.00 0.00 H new ATOM 0 HG SER A 89 14.557 -11.131 3.386 1.00 0.00 H new ATOM 1435 N THR A 90 12.070 -11.257 -0.247 1.00 0.00 N ATOM 1436 CA THR A 90 11.250 -11.454 -1.436 1.00 0.00 C ATOM 1437 C THR A 90 11.247 -12.916 -1.866 1.00 0.00 C ATOM 1438 O THR A 90 12.121 -13.689 -1.474 1.00 0.00 O ATOM 1439 CB THR A 90 11.744 -10.586 -2.609 1.00 0.00 C ATOM 1440 OG1 THR A 90 11.939 -9.236 -2.172 1.00 0.00 O ATOM 1441 CG2 THR A 90 10.748 -10.613 -3.759 1.00 0.00 C ATOM 0 H THR A 90 13.009 -10.907 -0.436 1.00 0.00 H new ATOM 0 HA THR A 90 10.236 -11.154 -1.174 1.00 0.00 H new ATOM 0 HB THR A 90 12.692 -10.994 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.255 -8.691 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.118 -9.993 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.624 -11.638 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.787 -10.227 -3.417 1.00 0.00 H new ATOM 1449 N GLN A 91 10.261 -13.289 -2.675 1.00 0.00 N ATOM 1450 CA GLN A 91 10.146 -14.659 -3.158 1.00 0.00 C ATOM 1451 C GLN A 91 10.391 -14.729 -4.662 1.00 0.00 C ATOM 1452 O GLN A 91 11.205 -15.524 -5.131 1.00 0.00 O ATOM 1453 CB GLN A 91 8.763 -15.225 -2.828 1.00 0.00 C ATOM 1454 CG GLN A 91 8.598 -16.688 -3.206 1.00 0.00 C ATOM 1455 CD GLN A 91 9.560 -17.594 -2.464 1.00 0.00 C ATOM 1456 OE1 GLN A 91 9.270 -18.057 -1.360 1.00 0.00 O ATOM 1457 NE2 GLN A 91 10.714 -17.854 -3.068 1.00 0.00 N ATOM 0 H GLN A 91 9.530 -12.661 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 91 10.905 -15.259 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.579 -15.111 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.006 -14.637 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.575 -17.001 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.752 -16.802 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.913 -17.449 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.401 -18.458 -2.617 1.00 0.00 H new ATOM 1466 N ALA A 92 9.682 -13.892 -5.411 1.00 0.00 N ATOM 1467 CA ALA A 92 9.824 -13.858 -6.862 1.00 0.00 C ATOM 1468 C ALA A 92 10.309 -12.491 -7.333 1.00 0.00 C ATOM 1469 O ALA A 92 9.735 -11.898 -8.248 1.00 0.00 O ATOM 1470 CB ALA A 92 8.503 -14.211 -7.530 1.00 0.00 C ATOM 0 H ALA A 92 9.003 -13.228 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 92 10.571 -14.598 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.624 -14.182 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.198 -15.212 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.740 -13.492 -7.230 1.00 0.00 H new ATOM 1476 N THR A 93 11.370 -11.995 -6.704 1.00 0.00 N ATOM 1477 CA THR A 93 11.931 -10.698 -7.058 1.00 0.00 C ATOM 1478 C THR A 93 12.121 -10.574 -8.566 1.00 0.00 C ATOM 1479 O THR A 93 12.230 -9.470 -9.098 1.00 0.00 O ATOM 1480 CB THR A 93 13.284 -10.462 -6.361 1.00 0.00 C ATOM 1481 OG1 THR A 93 13.803 -9.177 -6.720 1.00 0.00 O ATOM 1482 CG2 THR A 93 14.285 -11.543 -6.742 1.00 0.00 C ATOM 0 H THR A 93 11.858 -12.473 -5.946 1.00 0.00 H new ATOM 0 HA THR A 93 11.220 -9.944 -6.721 1.00 0.00 H new ATOM 0 HB THR A 93 13.124 -10.500 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.480 -8.931 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.233 -11.355 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.900 -12.517 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.440 -11.532 -7.821 1.00 0.00 H new ATOM 1490 N ASN A 94 12.158 -11.713 -9.248 1.00 0.00 N ATOM 1491 CA ASN A 94 12.334 -11.731 -10.696 1.00 0.00 C ATOM 1492 C ASN A 94 10.986 -11.695 -11.409 1.00 0.00 C ATOM 1493 O ASN A 94 10.378 -12.735 -11.665 1.00 0.00 O ATOM 1494 CB ASN A 94 13.114 -12.978 -11.120 1.00 0.00 C ATOM 1495 CG ASN A 94 12.443 -14.261 -10.669 1.00 0.00 C ATOM 1496 OD1 ASN A 94 12.282 -14.502 -9.472 1.00 0.00 O ATOM 1497 ND2 ASN A 94 12.050 -15.091 -11.627 1.00 0.00 N ATOM 0 H ASN A 94 12.069 -12.636 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 94 12.899 -10.843 -10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.217 -12.987 -12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.121 -12.932 -10.705 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.594 -15.970 -11.384 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.204 -14.850 -12.606 1.00 0.00 H new ATOM 1504 N LEU A 95 10.524 -10.490 -11.726 1.00 0.00 N ATOM 1505 CA LEU A 95 9.247 -10.317 -12.410 1.00 0.00 C ATOM 1506 C LEU A 95 9.123 -11.282 -13.585 1.00 0.00 C ATOM 1507 O LEU A 95 10.109 -11.592 -14.252 1.00 0.00 O ATOM 1508 CB LEU A 95 9.102 -8.876 -12.903 1.00 0.00 C ATOM 1509 CG LEU A 95 9.807 -8.541 -14.218 1.00 0.00 C ATOM 1510 CD1 LEU A 95 9.184 -7.311 -14.859 1.00 0.00 C ATOM 1511 CD2 LEU A 95 11.295 -8.328 -13.985 1.00 0.00 C ATOM 0 H LEU A 95 11.014 -9.619 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 95 8.450 -10.534 -11.699 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.040 -8.658 -13.018 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.483 -8.209 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 95 9.683 -9.382 -14.900 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.699 -7.088 -15.794 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.130 -7.501 -15.061 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.276 -6.462 -14.182 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.781 -8.091 -14.931 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.440 -7.504 -13.286 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.732 -9.236 -13.571 1.00 0.00 H new ATOM 1523 N GLU A 96 7.904 -11.752 -13.832 1.00 0.00 N ATOM 1524 CA GLU A 96 7.651 -12.681 -14.927 1.00 0.00 C ATOM 1525 C GLU A 96 6.246 -12.490 -15.489 1.00 0.00 C ATOM 1526 O GLU A 96 5.306 -12.142 -14.774 1.00 0.00 O ATOM 1527 CB GLU A 96 7.831 -14.124 -14.452 1.00 0.00 C ATOM 1528 CG GLU A 96 9.284 -14.520 -14.244 1.00 0.00 C ATOM 1529 CD GLU A 96 10.014 -14.768 -15.550 1.00 0.00 C ATOM 1530 OE1 GLU A 96 10.505 -13.790 -16.151 1.00 0.00 O ATOM 1531 OE2 GLU A 96 10.093 -15.942 -15.971 1.00 0.00 O ATOM 0 H GLU A 96 7.077 -11.505 -13.289 1.00 0.00 H new ATOM 0 HA GLU A 96 8.371 -12.474 -15.719 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.289 -14.260 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.381 -14.797 -15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.795 -13.733 -13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.327 -15.420 -13.631 1.00 0.00 H new ATOM 1538 N PRO A 97 6.097 -12.723 -16.802 1.00 0.00 N ATOM 1539 CA PRO A 97 4.810 -12.584 -17.490 1.00 0.00 C ATOM 1540 C PRO A 97 3.816 -13.667 -17.085 1.00 0.00 C ATOM 1541 O PRO A 97 4.086 -14.467 -16.190 1.00 0.00 O ATOM 1542 CB PRO A 97 5.181 -12.723 -18.968 1.00 0.00 C ATOM 1543 CG PRO A 97 6.438 -13.524 -18.969 1.00 0.00 C ATOM 1544 CD PRO A 97 7.174 -13.141 -17.715 1.00 0.00 C ATOM 0 HA PRO A 97 4.318 -11.642 -17.247 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.392 -13.224 -19.529 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.332 -11.748 -19.432 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.220 -14.592 -18.983 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.037 -13.309 -19.854 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.741 -13.979 -17.310 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.883 -12.334 -17.896 1.00 0.00 H new ATOM 1552 N SER A 98 2.666 -13.687 -17.751 1.00 0.00 N ATOM 1553 CA SER A 98 1.630 -14.670 -17.459 1.00 0.00 C ATOM 1554 C SER A 98 0.533 -14.636 -18.518 1.00 0.00 C ATOM 1555 O SER A 98 0.133 -13.568 -18.980 1.00 0.00 O ATOM 1556 CB SER A 98 1.028 -14.412 -16.076 1.00 0.00 C ATOM 1557 OG SER A 98 0.084 -15.412 -15.736 1.00 0.00 O ATOM 0 H SER A 98 2.428 -13.033 -18.497 1.00 0.00 H new ATOM 0 HA SER A 98 2.089 -15.658 -17.469 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.822 -14.388 -15.329 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.547 -13.434 -16.062 1.00 0.00 H new ATOM 0 HG SER A 98 -0.285 -15.225 -14.847 1.00 0.00 H new ATOM 1563 N GLY A 99 0.051 -15.815 -18.900 1.00 0.00 N ATOM 1564 CA GLY A 99 -0.995 -15.899 -19.903 1.00 0.00 C ATOM 1565 C GLY A 99 -2.253 -16.559 -19.375 1.00 0.00 C ATOM 1566 O GLY A 99 -2.661 -17.625 -19.837 1.00 0.00 O ATOM 0 H GLY A 99 0.366 -16.713 -18.533 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.236 -14.897 -20.257 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.627 -16.461 -20.761 1.00 0.00 H new ATOM 1570 N PRO A 100 -2.889 -15.920 -18.382 1.00 0.00 N ATOM 1571 CA PRO A 100 -4.117 -16.435 -17.768 1.00 0.00 C ATOM 1572 C PRO A 100 -5.312 -16.362 -18.712 1.00 0.00 C ATOM 1573 O PRO A 100 -5.982 -15.334 -18.803 1.00 0.00 O ATOM 1574 CB PRO A 100 -4.328 -15.510 -16.566 1.00 0.00 C ATOM 1575 CG PRO A 100 -3.637 -14.244 -16.938 1.00 0.00 C ATOM 1576 CD PRO A 100 -2.460 -14.646 -17.782 1.00 0.00 C ATOM 0 HA PRO A 100 -4.029 -17.488 -17.502 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.388 -15.342 -16.377 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.906 -15.939 -15.657 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.305 -13.583 -17.490 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.313 -13.701 -16.050 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.237 -13.898 -18.543 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.558 -14.768 -17.182 1.00 0.00 H new ATOM 1584 N SER A 101 -5.574 -17.461 -19.413 1.00 0.00 N ATOM 1585 CA SER A 101 -6.687 -17.520 -20.354 1.00 0.00 C ATOM 1586 C SER A 101 -6.891 -18.943 -20.865 1.00 0.00 C ATOM 1587 O SER A 101 -5.950 -19.590 -21.325 1.00 0.00 O ATOM 1588 CB SER A 101 -6.440 -16.573 -21.530 1.00 0.00 C ATOM 1589 OG SER A 101 -7.660 -16.172 -22.126 1.00 0.00 O ATOM 0 H SER A 101 -5.031 -18.322 -19.347 1.00 0.00 H new ATOM 0 HA SER A 101 -7.590 -17.208 -19.830 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.894 -15.695 -21.185 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.814 -17.066 -22.273 1.00 0.00 H new ATOM 0 HG SER A 101 -7.475 -15.566 -22.874 1.00 0.00 H new ATOM 1595 N SER A 102 -8.127 -19.424 -20.782 1.00 0.00 N ATOM 1596 CA SER A 102 -8.455 -20.771 -21.232 1.00 0.00 C ATOM 1597 C SER A 102 -8.841 -20.771 -22.708 1.00 0.00 C ATOM 1598 O SER A 102 -9.988 -20.498 -23.062 1.00 0.00 O ATOM 1599 CB SER A 102 -9.598 -21.348 -20.394 1.00 0.00 C ATOM 1600 OG SER A 102 -10.102 -22.540 -20.971 1.00 0.00 O ATOM 0 H SER A 102 -8.918 -18.900 -20.407 1.00 0.00 H new ATOM 0 HA SER A 102 -7.571 -21.395 -21.105 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.245 -21.551 -19.383 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.399 -20.613 -20.311 1.00 0.00 H new ATOM 0 HG SER A 102 -10.830 -22.890 -20.416 1.00 0.00 H new ATOM 1606 N GLY A 103 -7.874 -21.081 -23.567 1.00 0.00 N ATOM 1607 CA GLY A 103 -8.132 -21.111 -24.995 1.00 0.00 C ATOM 1608 C GLY A 103 -8.312 -19.724 -25.581 1.00 0.00 C ATOM 1609 O GLY A 103 -9.309 -19.450 -26.248 1.00 0.00 O ATOM 0 H GLY A 103 -6.917 -21.312 -23.299 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.306 -21.611 -25.500 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.027 -21.702 -25.187 1.00 0.00 H new TER 1613 GLY A 103