USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 MET CE :methyl -177:sc= 0 (180deg=-0.00492) USER MOD Set 2.1: A 36 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc=-0.00515 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0889 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.23) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0315 X(o=-0.031,f=-0.48) USER MOD Single : A 16 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.36) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.912) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.306 F(o=-2.4!,f=-0.31) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.13) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.017 F(o=-2.2!,f=-0.017) USER MOD Single : A 54 ASN : amide:sc= 0.736 K(o=0.74,f=-0.0034) USER MOD Single : A 56 GLN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -166:sc= -0.0069 (180deg=-0.248) USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= 0.282 (180deg=-0.0237) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.184 (180deg=0.171) USER MOD Single : A 66 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.32) USER MOD Single : A 68 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 74 THR OG1 : rot -72:sc= 0.704 USER MOD Single : A 77 GLN : amide:sc= 0.115 K(o=0.12,f=-0.7) USER MOD Single : A 80 TYR OH : rot 109:sc= 0.43 USER MOD Single : A 82 GLN : amide:sc= 0.433 X(o=0.43,f=-0.0059) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.48 F(o=-4.5!,f=-1.5) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 87 ASN :FLIP amide:sc= -1.27 F(o=-2.6,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 1.35 K(o=1.4,f=-5.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= 2.24 (180deg=0.961) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0161 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.364 2.236 16.143 1.00 10.14 N ATOM 2 CA GLY A 1 -15.905 2.316 16.228 1.00 14.42 C ATOM 3 C GLY A 1 -15.301 1.190 15.419 1.00 32.52 C ATOM 4 O GLY A 1 -15.325 1.262 14.196 1.00 3.34 O ATOM 0 H1 GLY A 1 -17.787 3.008 16.697 1.00 10.14 H new ATOM 0 H2 GLY A 1 -17.659 2.321 15.149 1.00 10.14 H new ATOM 0 H3 GLY A 1 -17.684 1.322 16.522 1.00 10.14 H new ATOM 0 HA2 GLY A 1 -15.558 3.278 15.851 1.00 14.42 H new ATOM 0 HA3 GLY A 1 -15.584 2.247 17.267 1.00 14.42 H new ATOM 8 N THR A 2 -14.773 0.156 16.071 1.00 72.24 N ATOM 9 CA THR A 2 -14.172 -1.007 15.436 1.00 44.32 C ATOM 10 C THR A 2 -15.233 -1.791 14.651 1.00 53.30 C ATOM 11 O THR A 2 -15.973 -2.587 15.237 1.00 64.42 O ATOM 12 CB THR A 2 -13.486 -1.867 16.523 1.00 34.13 C ATOM 13 OG1 THR A 2 -14.187 -1.791 17.758 1.00 32.32 O ATOM 14 CG2 THR A 2 -12.054 -1.411 16.794 1.00 45.02 C ATOM 0 H THR A 2 -14.753 0.107 17.090 1.00 72.24 H new ATOM 0 HA THR A 2 -13.414 -0.700 14.715 1.00 44.32 H new ATOM 0 HB THR A 2 -13.487 -2.887 16.138 1.00 34.13 H new ATOM 0 HG1 THR A 2 -13.733 -2.345 18.427 1.00 32.32 H new ATOM 0 HG21 THR A 2 -11.611 -2.043 17.564 1.00 45.02 H new ATOM 0 HG22 THR A 2 -11.468 -1.489 15.878 1.00 45.02 H new ATOM 0 HG23 THR A 2 -12.060 -0.375 17.134 1.00 45.02 H new ATOM 22 N ASP A 3 -15.324 -1.584 13.337 1.00 50.11 N ATOM 23 CA ASP A 3 -16.113 -2.416 12.425 1.00 63.22 C ATOM 24 C ASP A 3 -15.186 -3.315 11.605 1.00 5.23 C ATOM 25 O ASP A 3 -13.959 -3.176 11.660 1.00 53.40 O ATOM 26 CB ASP A 3 -16.991 -1.561 11.497 1.00 63.10 C ATOM 27 CG ASP A 3 -16.244 -1.095 10.242 1.00 34.55 C ATOM 28 OD1 ASP A 3 -15.571 -0.047 10.314 1.00 70.41 O ATOM 29 OD2 ASP A 3 -16.386 -1.739 9.173 1.00 44.32 O ATOM 0 H ASP A 3 -14.842 -0.818 12.866 1.00 50.11 H new ATOM 0 HA ASP A 3 -16.778 -3.038 13.025 1.00 63.22 H new ATOM 0 HB2 ASP A 3 -17.868 -2.137 11.201 1.00 63.10 H new ATOM 0 HB3 ASP A 3 -17.352 -0.690 12.045 1.00 63.10 H new ATOM 33 N PHE A 4 -15.764 -4.240 10.846 1.00 64.43 N ATOM 34 CA PHE A 4 -15.126 -4.983 9.768 1.00 12.41 C ATOM 35 C PHE A 4 -16.236 -5.591 8.910 1.00 42.03 C ATOM 36 O PHE A 4 -17.362 -5.762 9.391 1.00 23.41 O ATOM 37 CB PHE A 4 -14.218 -6.090 10.332 1.00 34.25 C ATOM 38 CG PHE A 4 -14.879 -6.989 11.364 1.00 24.45 C ATOM 39 CD1 PHE A 4 -15.626 -8.111 10.959 1.00 34.24 C ATOM 40 CD2 PHE A 4 -14.767 -6.686 12.735 1.00 21.42 C ATOM 41 CE1 PHE A 4 -16.261 -8.920 11.917 1.00 10.35 C ATOM 42 CE2 PHE A 4 -15.387 -7.506 13.694 1.00 72.52 C ATOM 43 CZ PHE A 4 -16.138 -8.621 13.285 1.00 74.33 C ATOM 0 H PHE A 4 -16.741 -4.504 10.974 1.00 64.43 H new ATOM 0 HA PHE A 4 -14.499 -4.320 9.172 1.00 12.41 H new ATOM 0 HB2 PHE A 4 -13.864 -6.707 9.506 1.00 34.25 H new ATOM 0 HB3 PHE A 4 -13.340 -5.627 10.783 1.00 34.25 H new ATOM 0 HD1 PHE A 4 -15.711 -8.351 9.909 1.00 34.24 H new ATOM 0 HD2 PHE A 4 -14.203 -5.821 13.051 1.00 21.42 H new ATOM 0 HE1 PHE A 4 -16.844 -9.773 11.602 1.00 10.35 H new ATOM 0 HE2 PHE A 4 -15.286 -7.279 14.745 1.00 72.52 H new ATOM 0 HZ PHE A 4 -16.620 -9.248 14.021 1.00 74.33 H new ATOM 52 N GLY A 5 -15.907 -5.989 7.680 1.00 71.32 N ATOM 53 CA GLY A 5 -16.793 -6.766 6.822 1.00 22.51 C ATOM 54 C GLY A 5 -16.859 -6.169 5.428 1.00 24.23 C ATOM 55 O GLY A 5 -17.895 -5.641 5.024 1.00 71.42 O ATOM 0 H GLY A 5 -15.007 -5.777 7.250 1.00 71.32 H new ATOM 0 HA2 GLY A 5 -16.439 -7.795 6.765 1.00 22.51 H new ATOM 0 HA3 GLY A 5 -17.792 -6.796 7.257 1.00 22.51 H new ATOM 59 N THR A 6 -15.757 -6.249 4.692 1.00 43.12 N ATOM 60 CA THR A 6 -15.521 -5.531 3.443 1.00 42.02 C ATOM 61 C THR A 6 -15.324 -6.503 2.267 1.00 44.23 C ATOM 62 O THR A 6 -14.682 -6.177 1.267 1.00 23.32 O ATOM 63 CB THR A 6 -14.351 -4.548 3.676 1.00 61.44 C ATOM 64 OG1 THR A 6 -13.383 -5.164 4.511 1.00 73.40 O ATOM 65 CG2 THR A 6 -14.840 -3.276 4.377 1.00 61.31 C ATOM 0 H THR A 6 -14.970 -6.840 4.959 1.00 43.12 H new ATOM 0 HA THR A 6 -16.392 -4.944 3.152 1.00 42.02 H new ATOM 0 HB THR A 6 -13.925 -4.288 2.707 1.00 61.44 H new ATOM 0 HG1 THR A 6 -12.638 -4.545 4.660 1.00 73.40 H new ATOM 0 HG21 THR A 6 -14.000 -2.599 4.531 1.00 61.31 H new ATOM 0 HG22 THR A 6 -15.592 -2.786 3.759 1.00 61.31 H new ATOM 0 HG23 THR A 6 -15.277 -3.537 5.341 1.00 61.31 H new ATOM 73 N THR A 7 -15.828 -7.728 2.387 1.00 11.43 N ATOM 74 CA THR A 7 -15.376 -8.897 1.645 1.00 74.13 C ATOM 75 C THR A 7 -16.071 -9.075 0.274 1.00 42.13 C ATOM 76 O THR A 7 -16.065 -10.187 -0.262 1.00 63.21 O ATOM 77 CB THR A 7 -15.565 -10.125 2.570 1.00 25.34 C ATOM 78 OG1 THR A 7 -15.444 -9.778 3.948 1.00 70.22 O ATOM 79 CG2 THR A 7 -14.538 -11.230 2.305 1.00 4.25 C ATOM 0 H THR A 7 -16.592 -7.940 3.029 1.00 11.43 H new ATOM 0 HA THR A 7 -14.326 -8.772 1.382 1.00 74.13 H new ATOM 0 HB THR A 7 -16.569 -10.485 2.346 1.00 25.34 H new ATOM 0 HG1 THR A 7 -15.571 -10.578 4.499 1.00 70.22 H new ATOM 0 HG21 THR A 7 -14.719 -12.065 2.982 1.00 4.25 H new ATOM 0 HG22 THR A 7 -14.630 -11.572 1.274 1.00 4.25 H new ATOM 0 HG23 THR A 7 -13.534 -10.840 2.470 1.00 4.25 H new ATOM 87 N ASN A 8 -16.729 -8.045 -0.290 1.00 73.34 N ATOM 88 CA ASN A 8 -17.603 -8.248 -1.458 1.00 22.14 C ATOM 89 C ASN A 8 -17.567 -7.167 -2.545 1.00 11.44 C ATOM 90 O ASN A 8 -18.410 -7.203 -3.438 1.00 2.22 O ATOM 91 CB ASN A 8 -19.051 -8.503 -0.996 1.00 3.02 C ATOM 92 CG ASN A 8 -19.761 -9.419 -1.990 1.00 10.05 C ATOM 93 OD1 ASN A 8 -19.275 -10.519 -2.267 1.00 33.43 O ATOM 94 ND2 ASN A 8 -20.918 -9.035 -2.494 1.00 73.32 N ATOM 0 H ASN A 8 -16.674 -7.081 0.038 1.00 73.34 H new ATOM 0 HA ASN A 8 -17.186 -9.124 -1.955 1.00 22.14 H new ATOM 0 HB2 ASN A 8 -19.051 -8.958 -0.005 1.00 3.02 H new ATOM 0 HB3 ASN A 8 -19.587 -7.558 -0.913 1.00 3.02 H new ATOM 0 HD21 ASN A 8 -21.429 -9.652 -3.126 1.00 73.32 H new ATOM 0 HD22 ASN A 8 -21.302 -8.121 -2.252 1.00 73.32 H new ATOM 100 N ASN A 9 -16.630 -6.215 -2.504 1.00 72.22 N ATOM 101 CA ASN A 9 -16.544 -5.126 -3.474 1.00 51.32 C ATOM 102 C ASN A 9 -15.273 -5.358 -4.271 1.00 40.41 C ATOM 103 O ASN A 9 -14.178 -5.396 -3.702 1.00 42.10 O ATOM 104 CB ASN A 9 -16.529 -3.724 -2.846 1.00 62.12 C ATOM 105 CG ASN A 9 -17.651 -3.479 -1.854 1.00 22.32 C ATOM 106 OD1 ASN A 9 -17.598 -3.989 -0.740 1.00 1.04 O ATOM 107 ND2 ASN A 9 -18.670 -2.710 -2.197 1.00 1.45 N ATOM 0 H ASN A 9 -15.904 -6.181 -1.788 1.00 72.22 H new ATOM 0 HA ASN A 9 -17.439 -5.142 -4.096 1.00 51.32 H new ATOM 0 HB2 ASN A 9 -15.574 -3.573 -2.343 1.00 62.12 H new ATOM 0 HB3 ASN A 9 -16.592 -2.981 -3.641 1.00 62.12 H new ATOM 0 HD21 ASN A 9 -19.423 -2.535 -1.532 1.00 1.45 H new ATOM 0 HD22 ASN A 9 -18.703 -2.291 -3.127 1.00 1.45 H new ATOM 113 N PHE A 10 -15.442 -5.565 -5.567 1.00 1.34 N ATOM 114 CA PHE A 10 -14.403 -5.884 -6.541 1.00 75.42 C ATOM 115 C PHE A 10 -14.506 -4.939 -7.747 1.00 75.43 C ATOM 116 O PHE A 10 -14.387 -5.357 -8.898 1.00 54.34 O ATOM 117 CB PHE A 10 -14.515 -7.368 -6.920 1.00 54.31 C ATOM 118 CG PHE A 10 -14.213 -8.318 -5.777 1.00 43.34 C ATOM 119 CD1 PHE A 10 -12.886 -8.723 -5.549 1.00 24.31 C ATOM 120 CD2 PHE A 10 -15.244 -8.809 -4.953 1.00 21.12 C ATOM 121 CE1 PHE A 10 -12.592 -9.638 -4.525 1.00 31.21 C ATOM 122 CE2 PHE A 10 -14.950 -9.730 -3.930 1.00 60.34 C ATOM 123 CZ PHE A 10 -13.625 -10.154 -3.725 1.00 71.31 C ATOM 0 H PHE A 10 -16.366 -5.512 -5.997 1.00 1.34 H new ATOM 0 HA PHE A 10 -13.411 -5.730 -6.116 1.00 75.42 H new ATOM 0 HB2 PHE A 10 -15.523 -7.564 -7.286 1.00 54.31 H new ATOM 0 HB3 PHE A 10 -13.831 -7.576 -7.743 1.00 54.31 H new ATOM 0 HD1 PHE A 10 -12.090 -8.329 -6.164 1.00 24.31 H new ATOM 0 HD2 PHE A 10 -16.261 -8.479 -5.106 1.00 21.12 H new ATOM 0 HE1 PHE A 10 -11.571 -9.945 -4.352 1.00 31.21 H new ATOM 0 HE2 PHE A 10 -15.742 -10.111 -3.302 1.00 60.34 H new ATOM 0 HZ PHE A 10 -13.402 -10.876 -2.953 1.00 71.31 H new ATOM 132 N VAL A 11 -14.798 -3.660 -7.504 1.00 40.44 N ATOM 133 CA VAL A 11 -15.019 -2.654 -8.533 1.00 55.54 C ATOM 134 C VAL A 11 -14.267 -1.379 -8.155 1.00 15.25 C ATOM 135 O VAL A 11 -14.314 -0.954 -6.999 1.00 14.24 O ATOM 136 CB VAL A 11 -16.537 -2.424 -8.729 1.00 22.23 C ATOM 137 CG1 VAL A 11 -17.237 -3.697 -9.233 1.00 12.51 C ATOM 138 CG2 VAL A 11 -17.287 -1.947 -7.475 1.00 51.22 C ATOM 0 H VAL A 11 -14.889 -3.290 -6.558 1.00 40.44 H new ATOM 0 HA VAL A 11 -14.629 -2.993 -9.493 1.00 55.54 H new ATOM 0 HB VAL A 11 -16.582 -1.624 -9.468 1.00 22.23 H new ATOM 0 HG11 VAL A 11 -18.302 -3.501 -9.360 1.00 12.51 H new ATOM 0 HG12 VAL A 11 -16.806 -3.995 -10.189 1.00 12.51 H new ATOM 0 HG13 VAL A 11 -17.100 -4.499 -8.508 1.00 12.51 H new ATOM 0 HG21 VAL A 11 -18.343 -1.814 -7.711 1.00 51.22 H new ATOM 0 HG22 VAL A 11 -17.183 -2.690 -6.684 1.00 51.22 H new ATOM 0 HG23 VAL A 11 -16.868 -0.998 -7.139 1.00 51.22 H new ATOM 148 N SER A 12 -13.623 -0.727 -9.121 1.00 72.03 N ATOM 149 CA SER A 12 -12.956 0.554 -8.926 1.00 11.14 C ATOM 150 C SER A 12 -13.483 1.564 -9.955 1.00 41.22 C ATOM 151 O SER A 12 -12.762 1.917 -10.890 1.00 60.00 O ATOM 152 CB SER A 12 -11.427 0.363 -8.930 1.00 31.32 C ATOM 153 OG SER A 12 -10.969 -0.515 -9.951 1.00 15.34 O ATOM 0 H SER A 12 -13.550 -1.081 -10.075 1.00 72.03 H new ATOM 0 HA SER A 12 -13.188 0.973 -7.947 1.00 11.14 H new ATOM 0 HB2 SER A 12 -10.948 1.334 -9.054 1.00 31.32 H new ATOM 0 HB3 SER A 12 -11.114 -0.025 -7.961 1.00 31.32 H new ATOM 0 HG SER A 12 -9.993 -0.593 -9.902 1.00 15.34 H new ATOM 158 N PRO A 13 -14.743 2.032 -9.836 1.00 3.12 N ATOM 159 CA PRO A 13 -15.227 3.132 -10.659 1.00 44.51 C ATOM 160 C PRO A 13 -14.443 4.406 -10.334 1.00 73.14 C ATOM 161 O PRO A 13 -13.862 4.531 -9.251 1.00 21.34 O ATOM 162 CB PRO A 13 -16.712 3.290 -10.337 1.00 33.44 C ATOM 163 CG PRO A 13 -16.842 2.692 -8.937 1.00 40.42 C ATOM 164 CD PRO A 13 -15.779 1.595 -8.913 1.00 35.02 C ATOM 0 HA PRO A 13 -15.090 2.938 -11.723 1.00 44.51 H new ATOM 0 HB2 PRO A 13 -17.017 4.336 -10.356 1.00 33.44 H new ATOM 0 HB3 PRO A 13 -17.337 2.763 -11.058 1.00 33.44 H new ATOM 0 HG2 PRO A 13 -16.664 3.439 -8.164 1.00 40.42 H new ATOM 0 HG3 PRO A 13 -17.839 2.287 -8.765 1.00 40.42 H new ATOM 0 HD2 PRO A 13 -15.377 1.461 -7.909 1.00 35.02 H new ATOM 0 HD3 PRO A 13 -16.198 0.637 -9.220 1.00 35.02 H new ATOM 169 N ASN A 14 -14.486 5.375 -11.248 1.00 60.44 N ATOM 170 CA ASN A 14 -13.529 6.480 -11.389 1.00 71.24 C ATOM 171 C ASN A 14 -13.601 7.570 -10.301 1.00 14.34 C ATOM 172 O ASN A 14 -13.145 8.695 -10.504 1.00 31.32 O ATOM 173 CB ASN A 14 -13.715 7.094 -12.791 1.00 55.51 C ATOM 174 CG ASN A 14 -12.417 7.689 -13.318 1.00 42.12 C ATOM 175 OD1 ASN A 14 -11.358 7.079 -13.199 1.00 52.40 O ATOM 176 ND2 ASN A 14 -12.430 8.862 -13.920 1.00 22.34 N ATOM 0 H ASN A 14 -15.227 5.415 -11.948 1.00 60.44 H new ATOM 0 HA ASN A 14 -12.535 6.052 -11.258 1.00 71.24 H new ATOM 0 HB2 ASN A 14 -14.071 6.328 -13.480 1.00 55.51 H new ATOM 0 HB3 ASN A 14 -14.481 7.868 -12.751 1.00 55.51 H new ATOM 0 HD21 ASN A 14 -11.563 9.258 -14.284 1.00 22.34 H new ATOM 0 HD22 ASN A 14 -13.307 9.373 -14.022 1.00 22.34 H new ATOM 182 N LEU A 15 -14.231 7.287 -9.163 1.00 72.31 N ATOM 183 CA LEU A 15 -14.617 8.223 -8.117 1.00 34.05 C ATOM 184 C LEU A 15 -13.468 8.447 -7.118 1.00 72.13 C ATOM 185 O LEU A 15 -13.439 7.794 -6.073 1.00 42.23 O ATOM 186 CB LEU A 15 -15.870 7.634 -7.436 1.00 22.02 C ATOM 187 CG LEU A 15 -16.548 8.587 -6.433 1.00 4.45 C ATOM 188 CD1 LEU A 15 -17.477 9.554 -7.168 1.00 75.11 C ATOM 189 CD2 LEU A 15 -17.386 7.795 -5.426 1.00 61.21 C ATOM 0 H LEU A 15 -14.503 6.331 -8.935 1.00 72.31 H new ATOM 0 HA LEU A 15 -14.840 9.206 -8.533 1.00 34.05 H new ATOM 0 HB2 LEU A 15 -16.592 7.359 -8.204 1.00 22.02 H new ATOM 0 HB3 LEU A 15 -15.591 6.717 -6.918 1.00 22.02 H new ATOM 0 HG LEU A 15 -15.765 9.139 -5.914 1.00 4.45 H new ATOM 0 HD11 LEU A 15 -17.950 10.222 -6.448 1.00 75.11 H new ATOM 0 HD12 LEU A 15 -16.900 10.141 -7.883 1.00 75.11 H new ATOM 0 HD13 LEU A 15 -18.244 8.990 -7.698 1.00 75.11 H new ATOM 0 HD21 LEU A 15 -17.858 8.483 -4.725 1.00 61.21 H new ATOM 0 HD22 LEU A 15 -18.155 7.232 -5.955 1.00 61.21 H new ATOM 0 HD23 LEU A 15 -16.743 7.105 -4.880 1.00 61.21 H new ATOM 200 N GLN A 16 -12.546 9.379 -7.385 1.00 13.52 N ATOM 201 CA GLN A 16 -11.430 9.700 -6.472 1.00 20.21 C ATOM 202 C GLN A 16 -11.835 10.614 -5.299 1.00 52.10 C ATOM 203 O GLN A 16 -11.014 11.017 -4.479 1.00 34.11 O ATOM 204 CB GLN A 16 -10.282 10.336 -7.285 1.00 35.31 C ATOM 205 CG GLN A 16 -8.880 10.237 -6.637 1.00 20.12 C ATOM 206 CD GLN A 16 -7.923 11.325 -7.138 1.00 12.31 C ATOM 207 OE1 GLN A 16 -8.288 12.495 -7.210 1.00 33.31 O ATOM 208 NE2 GLN A 16 -6.681 11.007 -7.463 1.00 21.03 N ATOM 0 H GLN A 16 -12.548 9.936 -8.240 1.00 13.52 H new ATOM 0 HA GLN A 16 -11.104 8.765 -6.017 1.00 20.21 H new ATOM 0 HB2 GLN A 16 -10.246 9.860 -8.265 1.00 35.31 H new ATOM 0 HB3 GLN A 16 -10.515 11.388 -7.450 1.00 35.31 H new ATOM 0 HG2 GLN A 16 -8.978 10.314 -5.554 1.00 20.12 H new ATOM 0 HG3 GLN A 16 -8.454 9.257 -6.850 1.00 20.12 H new ATOM 0 HE21 GLN A 16 -6.371 10.037 -7.405 1.00 21.03 H new ATOM 0 HE22 GLN A 16 -6.033 11.732 -7.771 1.00 21.03 H new ATOM 215 N LEU A 17 -13.119 10.928 -5.189 1.00 34.35 N ATOM 216 CA LEU A 17 -13.681 11.961 -4.311 1.00 60.43 C ATOM 217 C LEU A 17 -14.587 11.387 -3.228 1.00 34.45 C ATOM 218 O LEU A 17 -15.718 11.805 -2.993 1.00 72.23 O ATOM 219 CB LEU A 17 -14.220 13.187 -5.052 1.00 43.14 C ATOM 220 CG LEU A 17 -15.278 13.123 -6.177 1.00 44.20 C ATOM 221 CD1 LEU A 17 -14.833 12.266 -7.366 1.00 75.00 C ATOM 222 CD2 LEU A 17 -16.661 12.664 -5.722 1.00 43.41 C ATOM 0 H LEU A 17 -13.837 10.449 -5.734 1.00 34.35 H new ATOM 0 HA LEU A 17 -12.840 12.378 -3.756 1.00 60.43 H new ATOM 0 HB2 LEU A 17 -14.628 13.849 -4.288 1.00 43.14 H new ATOM 0 HB3 LEU A 17 -13.352 13.690 -5.479 1.00 43.14 H new ATOM 0 HG LEU A 17 -15.366 14.162 -6.494 1.00 44.20 H new ATOM 0 HD11 LEU A 17 -15.617 12.259 -8.123 1.00 75.00 H new ATOM 0 HD12 LEU A 17 -13.920 12.682 -7.793 1.00 75.00 H new ATOM 0 HD13 LEU A 17 -14.645 11.246 -7.029 1.00 75.00 H new ATOM 0 HD21 LEU A 17 -17.339 12.649 -6.576 1.00 43.41 H new ATOM 0 HD22 LEU A 17 -16.591 11.663 -5.297 1.00 43.41 H new ATOM 0 HD23 LEU A 17 -17.043 13.352 -4.968 1.00 43.41 H new ATOM 233 N LYS A 18 -14.077 10.335 -2.614 1.00 52.33 N ATOM 234 CA LYS A 18 -14.667 9.656 -1.462 1.00 22.41 C ATOM 235 C LYS A 18 -14.242 10.366 -0.176 1.00 53.04 C ATOM 236 O LYS A 18 -13.280 11.137 -0.189 1.00 41.04 O ATOM 237 CB LYS A 18 -14.209 8.191 -1.429 1.00 72.51 C ATOM 238 CG LYS A 18 -14.481 7.450 -2.746 1.00 2.41 C ATOM 239 CD LYS A 18 -14.260 5.944 -2.578 1.00 40.11 C ATOM 240 CE LYS A 18 -14.331 5.196 -3.910 1.00 64.33 C ATOM 241 NZ LYS A 18 -13.111 5.378 -4.724 1.00 20.01 N ATOM 0 H LYS A 18 -13.201 9.907 -2.914 1.00 52.33 H new ATOM 0 HA LYS A 18 -15.754 9.684 -1.544 1.00 22.41 H new ATOM 0 HB2 LYS A 18 -13.142 8.154 -1.211 1.00 72.51 H new ATOM 0 HB3 LYS A 18 -14.719 7.675 -0.615 1.00 72.51 H new ATOM 0 HG2 LYS A 18 -15.505 7.638 -3.070 1.00 2.41 H new ATOM 0 HG3 LYS A 18 -13.824 7.834 -3.527 1.00 2.41 H new ATOM 0 HD2 LYS A 18 -13.287 5.771 -2.118 1.00 40.11 H new ATOM 0 HD3 LYS A 18 -15.011 5.542 -1.898 1.00 40.11 H new ATOM 0 HE2 LYS A 18 -14.482 4.134 -3.719 1.00 64.33 H new ATOM 0 HE3 LYS A 18 -15.196 5.545 -4.474 1.00 64.33 H new ATOM 0 HZ1 LYS A 18 -13.030 4.598 -5.407 1.00 20.01 H new ATOM 0 HZ2 LYS A 18 -13.167 6.282 -5.236 1.00 20.01 H new ATOM 0 HZ3 LYS A 18 -12.277 5.383 -4.103 1.00 20.01 H new ATOM 251 N GLN A 19 -14.906 10.084 0.946 1.00 22.24 N ATOM 252 CA GLN A 19 -14.490 10.576 2.249 1.00 23.45 C ATOM 253 C GLN A 19 -13.185 9.915 2.715 1.00 44.10 C ATOM 254 O GLN A 19 -12.713 8.925 2.155 1.00 23.55 O ATOM 255 CB GLN A 19 -15.644 10.368 3.250 1.00 52.24 C ATOM 256 CG GLN A 19 -16.484 11.639 3.402 1.00 74.10 C ATOM 257 CD GLN A 19 -17.965 11.362 3.650 1.00 41.41 C ATOM 258 OE1 GLN A 19 -18.816 11.645 2.805 1.00 41.32 O ATOM 259 NE2 GLN A 19 -18.319 10.786 4.784 1.00 4.22 N ATOM 0 H GLN A 19 -15.747 9.507 0.971 1.00 22.24 H new ATOM 0 HA GLN A 19 -14.272 11.642 2.183 1.00 23.45 H new ATOM 0 HB2 GLN A 19 -16.278 9.549 2.912 1.00 52.24 H new ATOM 0 HB3 GLN A 19 -15.239 10.079 4.220 1.00 52.24 H new ATOM 0 HG2 GLN A 19 -16.089 12.230 4.229 1.00 74.10 H new ATOM 0 HG3 GLN A 19 -16.381 12.243 2.501 1.00 74.10 H new ATOM 0 HE21 GLN A 19 -17.611 10.553 5.481 1.00 4.22 H new ATOM 0 HE22 GLN A 19 -19.300 10.573 4.963 1.00 4.22 H new ATOM 266 N ASN A 20 -12.612 10.501 3.760 1.00 3.44 N ATOM 267 CA ASN A 20 -11.395 10.135 4.467 1.00 34.14 C ATOM 268 C ASN A 20 -11.625 8.823 5.203 1.00 72.41 C ATOM 269 O ASN A 20 -12.026 8.800 6.365 1.00 51.34 O ATOM 270 CB ASN A 20 -11.007 11.245 5.461 1.00 11.33 C ATOM 271 CG ASN A 20 -9.619 11.072 6.079 1.00 60.50 C ATOM 272 OD1 ASN A 20 -9.241 9.883 6.523 1.00 14.35 O flip ATOM 273 ND2 ASN A 20 -8.872 12.039 6.181 1.00 2.32 N flip ATOM 0 H ASN A 20 -13.035 11.331 4.174 1.00 3.44 H new ATOM 0 HA ASN A 20 -10.579 10.013 3.754 1.00 34.14 H new ATOM 0 HB2 ASN A 20 -11.048 12.207 4.949 1.00 11.33 H new ATOM 0 HB3 ASN A 20 -11.747 11.277 6.260 1.00 11.33 H new ATOM 0 HD21 ASN A 20 -9.170 12.952 5.837 1.00 2.32 H new ATOM 0 HD22 ASN A 20 -7.953 11.930 6.610 1.00 2.32 H new ATOM 279 N VAL A 21 -11.345 7.715 4.547 1.00 21.21 N ATOM 280 CA VAL A 21 -11.309 6.397 5.173 1.00 62.13 C ATOM 281 C VAL A 21 -10.192 5.569 4.530 1.00 73.42 C ATOM 282 O VAL A 21 -9.772 5.841 3.400 1.00 35.35 O ATOM 283 CB VAL A 21 -12.722 5.775 5.125 1.00 73.42 C ATOM 284 CG1 VAL A 21 -13.306 5.737 3.708 1.00 3.05 C ATOM 285 CG2 VAL A 21 -12.792 4.388 5.779 1.00 51.22 C ATOM 0 H VAL A 21 -11.132 7.698 3.550 1.00 21.21 H new ATOM 0 HA VAL A 21 -11.056 6.445 6.232 1.00 62.13 H new ATOM 0 HB VAL A 21 -13.344 6.444 5.720 1.00 73.42 H new ATOM 0 HG11 VAL A 21 -14.300 5.290 3.736 1.00 3.05 H new ATOM 0 HG12 VAL A 21 -13.375 6.752 3.316 1.00 3.05 H new ATOM 0 HG13 VAL A 21 -12.659 5.142 3.063 1.00 3.05 H new ATOM 0 HG21 VAL A 21 -13.810 4.005 5.713 1.00 51.22 H new ATOM 0 HG22 VAL A 21 -12.114 3.708 5.263 1.00 51.22 H new ATOM 0 HG23 VAL A 21 -12.501 4.465 6.827 1.00 51.22 H new ATOM 295 N LEU A 22 -9.679 4.578 5.263 1.00 71.24 N ATOM 296 CA LEU A 22 -8.625 3.696 4.778 1.00 54.02 C ATOM 297 C LEU A 22 -9.184 2.738 3.717 1.00 53.32 C ATOM 298 O LEU A 22 -10.364 2.366 3.784 1.00 3.31 O ATOM 299 CB LEU A 22 -8.040 2.868 5.938 1.00 65.32 C ATOM 300 CG LEU A 22 -7.191 3.660 6.948 1.00 43.13 C ATOM 301 CD1 LEU A 22 -6.681 2.721 8.046 1.00 25.34 C ATOM 302 CD2 LEU A 22 -6.000 4.360 6.278 1.00 54.03 C ATOM 0 H LEU A 22 -9.987 4.367 6.212 1.00 71.24 H new ATOM 0 HA LEU A 22 -7.840 4.313 4.340 1.00 54.02 H new ATOM 0 HB2 LEU A 22 -8.862 2.392 6.473 1.00 65.32 H new ATOM 0 HB3 LEU A 22 -7.427 2.070 5.520 1.00 65.32 H new ATOM 0 HG LEU A 22 -7.830 4.431 7.379 1.00 43.13 H new ATOM 0 HD11 LEU A 22 -6.080 3.287 8.758 1.00 25.34 H new ATOM 0 HD12 LEU A 22 -7.529 2.271 8.563 1.00 25.34 H new ATOM 0 HD13 LEU A 22 -6.070 1.936 7.599 1.00 25.34 H new ATOM 0 HD21 LEU A 22 -5.430 4.906 7.029 1.00 54.03 H new ATOM 0 HD22 LEU A 22 -5.359 3.615 5.806 1.00 54.03 H new ATOM 0 HD23 LEU A 22 -6.365 5.056 5.522 1.00 54.03 H new ATOM 313 N PRO A 23 -8.362 2.291 2.756 1.00 62.41 N ATOM 314 CA PRO A 23 -8.663 1.114 1.947 1.00 23.22 C ATOM 315 C PRO A 23 -8.705 -0.169 2.808 1.00 22.13 C ATOM 316 O PRO A 23 -8.338 -0.143 3.991 1.00 54.44 O ATOM 317 CB PRO A 23 -7.588 1.077 0.852 1.00 55.43 C ATOM 318 CG PRO A 23 -6.451 1.932 1.386 1.00 4.45 C ATOM 319 CD PRO A 23 -7.099 2.897 2.366 1.00 53.03 C ATOM 0 HA PRO A 23 -9.655 1.168 1.498 1.00 23.22 H new ATOM 0 HB2 PRO A 23 -7.257 0.057 0.659 1.00 55.43 H new ATOM 0 HB3 PRO A 23 -7.970 1.472 -0.089 1.00 55.43 H new ATOM 0 HG2 PRO A 23 -5.696 1.319 1.879 1.00 4.45 H new ATOM 0 HG3 PRO A 23 -5.950 2.468 0.580 1.00 4.45 H new ATOM 0 HD2 PRO A 23 -6.460 3.058 3.234 1.00 53.03 H new ATOM 0 HD3 PRO A 23 -7.261 3.871 1.904 1.00 53.03 H new ATOM 324 N PRO A 24 -9.196 -1.291 2.255 1.00 4.11 N ATOM 325 CA PRO A 24 -9.264 -2.571 2.960 1.00 22.33 C ATOM 326 C PRO A 24 -7.869 -3.186 3.197 1.00 53.14 C ATOM 327 O PRO A 24 -6.871 -2.705 2.665 1.00 21.41 O ATOM 328 CB PRO A 24 -10.170 -3.449 2.085 1.00 54.34 C ATOM 329 CG PRO A 24 -10.046 -2.858 0.682 1.00 73.41 C ATOM 330 CD PRO A 24 -9.815 -1.378 0.939 1.00 12.33 C ATOM 0 HA PRO A 24 -9.668 -2.464 3.967 1.00 22.33 H new ATOM 0 HB2 PRO A 24 -9.851 -4.491 2.105 1.00 54.34 H new ATOM 0 HB3 PRO A 24 -11.202 -3.425 2.435 1.00 54.34 H new ATOM 0 HG2 PRO A 24 -9.218 -3.304 0.131 1.00 73.41 H new ATOM 0 HG3 PRO A 24 -10.948 -3.027 0.094 1.00 73.41 H new ATOM 0 HD2 PRO A 24 -9.169 -0.945 0.175 1.00 12.33 H new ATOM 0 HD3 PRO A 24 -10.755 -0.826 0.912 1.00 12.33 H new ATOM 335 N THR A 25 -7.778 -4.289 3.940 1.00 31.52 N ATOM 336 CA THR A 25 -6.534 -5.036 4.175 1.00 51.42 C ATOM 337 C THR A 25 -6.779 -6.539 4.002 1.00 30.14 C ATOM 338 O THR A 25 -7.934 -6.971 4.049 1.00 72.13 O ATOM 339 CB THR A 25 -5.944 -4.719 5.571 1.00 23.25 C ATOM 340 OG1 THR A 25 -6.905 -4.370 6.560 1.00 74.31 O ATOM 341 CG2 THR A 25 -4.896 -3.611 5.481 1.00 14.01 C ATOM 0 H THR A 25 -8.585 -4.701 4.408 1.00 31.52 H new ATOM 0 HA THR A 25 -5.798 -4.721 3.435 1.00 51.42 H new ATOM 0 HB THR A 25 -5.491 -5.656 5.895 1.00 23.25 H new ATOM 0 HG1 THR A 25 -6.450 -4.188 7.409 1.00 74.31 H new ATOM 0 HG21 THR A 25 -4.496 -3.407 6.474 1.00 14.01 H new ATOM 0 HG22 THR A 25 -4.087 -3.928 4.823 1.00 14.01 H new ATOM 0 HG23 THR A 25 -5.356 -2.707 5.082 1.00 14.01 H new ATOM 349 N PRO A 26 -5.728 -7.360 3.796 1.00 73.43 N ATOM 350 CA PRO A 26 -5.892 -8.804 3.692 1.00 2.42 C ATOM 351 C PRO A 26 -6.409 -9.351 5.018 1.00 65.40 C ATOM 352 O PRO A 26 -6.028 -8.868 6.090 1.00 45.03 O ATOM 353 CB PRO A 26 -4.520 -9.392 3.342 1.00 4.43 C ATOM 354 CG PRO A 26 -3.526 -8.285 3.674 1.00 13.13 C ATOM 355 CD PRO A 26 -4.325 -6.985 3.708 1.00 50.10 C ATOM 0 HA PRO A 26 -6.615 -9.073 2.921 1.00 2.42 H new ATOM 0 HB2 PRO A 26 -4.316 -10.293 3.921 1.00 4.43 H new ATOM 0 HB3 PRO A 26 -4.466 -9.670 2.289 1.00 4.43 H new ATOM 0 HG2 PRO A 26 -3.045 -8.470 4.634 1.00 13.13 H new ATOM 0 HG3 PRO A 26 -2.735 -8.236 2.925 1.00 13.13 H new ATOM 0 HD2 PRO A 26 -4.033 -6.374 4.562 1.00 50.10 H new ATOM 0 HD3 PRO A 26 -4.138 -6.392 2.813 1.00 50.10 H new ATOM 360 N LYS A 27 -7.210 -10.416 4.945 1.00 45.41 N ATOM 361 CA LYS A 27 -7.795 -11.114 6.090 1.00 54.33 C ATOM 362 C LYS A 27 -6.755 -11.958 6.829 1.00 41.21 C ATOM 363 O LYS A 27 -6.993 -13.135 7.115 1.00 41.42 O ATOM 364 CB LYS A 27 -9.019 -11.940 5.659 1.00 45.21 C ATOM 365 CG LYS A 27 -8.711 -12.910 4.509 1.00 13.31 C ATOM 366 CD LYS A 27 -9.640 -14.131 4.514 1.00 23.24 C ATOM 367 CE LYS A 27 -8.902 -15.415 4.925 1.00 63.34 C ATOM 368 NZ LYS A 27 -8.451 -15.403 6.332 1.00 11.23 N ATOM 0 H LYS A 27 -7.479 -10.831 4.053 1.00 45.41 H new ATOM 0 HA LYS A 27 -8.143 -10.364 6.801 1.00 54.33 H new ATOM 0 HB2 LYS A 27 -9.389 -12.505 6.515 1.00 45.21 H new ATOM 0 HB3 LYS A 27 -9.818 -11.264 5.353 1.00 45.21 H new ATOM 0 HG2 LYS A 27 -8.808 -12.386 3.558 1.00 13.31 H new ATOM 0 HG3 LYS A 27 -7.676 -13.243 4.585 1.00 13.31 H new ATOM 0 HD2 LYS A 27 -10.468 -13.954 5.200 1.00 23.24 H new ATOM 0 HD3 LYS A 27 -10.071 -14.263 3.522 1.00 23.24 H new ATOM 0 HE2 LYS A 27 -9.560 -16.270 4.768 1.00 63.34 H new ATOM 0 HE3 LYS A 27 -8.038 -15.554 4.275 1.00 63.34 H new ATOM 0 HZ1 LYS A 27 -7.741 -16.150 6.475 1.00 11.23 H new ATOM 0 HZ2 LYS A 27 -8.030 -14.478 6.554 1.00 11.23 H new ATOM 0 HZ3 LYS A 27 -9.264 -15.573 6.958 1.00 11.23 H new ATOM 378 N ASN A 28 -5.573 -11.407 7.087 1.00 31.15 N ATOM 379 CA ASN A 28 -4.444 -12.095 7.656 1.00 2.11 C ATOM 380 C ASN A 28 -3.894 -11.253 8.797 1.00 34.14 C ATOM 381 O ASN A 28 -3.687 -11.798 9.879 1.00 54.01 O ATOM 382 CB ASN A 28 -3.398 -12.398 6.570 1.00 71.12 C ATOM 383 CG ASN A 28 -3.710 -13.677 5.816 1.00 2.10 C ATOM 384 OD1 ASN A 28 -3.197 -14.740 6.150 1.00 13.21 O ATOM 385 ND2 ASN A 28 -4.494 -13.640 4.759 1.00 65.12 N ATOM 0 H ASN A 28 -5.379 -10.425 6.893 1.00 31.15 H new ATOM 0 HA ASN A 28 -4.742 -13.061 8.063 1.00 2.11 H new ATOM 0 HB2 ASN A 28 -3.354 -11.566 5.868 1.00 71.12 H new ATOM 0 HB3 ASN A 28 -2.413 -12.480 7.029 1.00 71.12 H new ATOM 0 HD21 ASN A 28 -4.671 -14.491 4.225 1.00 65.12 H new ATOM 0 HD22 ASN A 28 -4.925 -12.760 4.474 1.00 65.12 H new ATOM 391 N ILE A 29 -3.650 -9.950 8.601 1.00 10.41 N ATOM 392 CA ILE A 29 -2.986 -9.100 9.593 1.00 3.23 C ATOM 393 C ILE A 29 -3.540 -7.662 9.486 1.00 10.33 C ATOM 394 O ILE A 29 -4.109 -7.316 8.445 1.00 1.45 O ATOM 395 CB ILE A 29 -1.442 -9.139 9.406 1.00 63.33 C ATOM 396 CG1 ILE A 29 -0.885 -8.319 8.229 1.00 71.13 C ATOM 397 CG2 ILE A 29 -0.893 -10.564 9.301 1.00 63.20 C ATOM 398 CD1 ILE A 29 -1.177 -8.858 6.836 1.00 74.24 C ATOM 0 H ILE A 29 -3.909 -9.456 7.747 1.00 10.41 H new ATOM 0 HA ILE A 29 -3.195 -9.477 10.594 1.00 3.23 H new ATOM 0 HB ILE A 29 -1.093 -8.660 10.321 1.00 63.33 H new ATOM 0 HG12 ILE A 29 -1.286 -7.308 8.296 1.00 71.13 H new ATOM 0 HG13 ILE A 29 0.196 -8.242 8.347 1.00 71.13 H new ATOM 0 HG21 ILE A 29 0.189 -10.529 9.172 1.00 63.20 H new ATOM 0 HG22 ILE A 29 -1.132 -11.114 10.211 1.00 63.20 H new ATOM 0 HG23 ILE A 29 -1.344 -11.066 8.445 1.00 63.20 H new ATOM 0 HD11 ILE A 29 -0.735 -8.197 6.090 1.00 74.24 H new ATOM 0 HD12 ILE A 29 -0.750 -9.856 6.735 1.00 74.24 H new ATOM 0 HD13 ILE A 29 -2.255 -8.907 6.684 1.00 74.24 H new ATOM 409 N PRO A 30 -3.366 -6.803 10.510 1.00 41.41 N ATOM 410 CA PRO A 30 -3.861 -5.422 10.501 1.00 5.13 C ATOM 411 C PRO A 30 -2.974 -4.497 9.662 1.00 33.11 C ATOM 412 O PRO A 30 -1.868 -4.879 9.279 1.00 11.13 O ATOM 413 CB PRO A 30 -3.848 -5.002 11.974 1.00 33.53 C ATOM 414 CG PRO A 30 -2.656 -5.772 12.532 1.00 33.44 C ATOM 415 CD PRO A 30 -2.755 -7.105 11.798 1.00 30.31 C ATOM 0 HA PRO A 30 -4.852 -5.354 10.051 1.00 5.13 H new ATOM 0 HB2 PRO A 30 -3.723 -3.925 12.087 1.00 33.53 H new ATOM 0 HB3 PRO A 30 -4.776 -5.270 12.480 1.00 33.53 H new ATOM 0 HG2 PRO A 30 -1.713 -5.265 12.328 1.00 33.44 H new ATOM 0 HG3 PRO A 30 -2.723 -5.897 13.613 1.00 33.44 H new ATOM 0 HD2 PRO A 30 -1.770 -7.554 11.668 1.00 30.31 H new ATOM 0 HD3 PRO A 30 -3.359 -7.817 12.360 1.00 30.31 H new ATOM 420 N LEU A 31 -3.414 -3.248 9.449 1.00 34.52 N ATOM 421 CA LEU A 31 -2.610 -2.191 8.825 1.00 52.40 C ATOM 422 C LEU A 31 -1.214 -2.104 9.464 1.00 41.30 C ATOM 423 O LEU A 31 -0.243 -2.317 8.741 1.00 70.51 O ATOM 424 CB LEU A 31 -3.377 -0.847 8.795 1.00 64.54 C ATOM 425 CG LEU A 31 -2.692 0.330 8.060 1.00 71.33 C ATOM 426 CD1 LEU A 31 -1.483 0.946 8.773 1.00 25.43 C ATOM 427 CD2 LEU A 31 -2.248 -0.071 6.656 1.00 43.40 C ATOM 0 H LEU A 31 -4.351 -2.941 9.709 1.00 34.52 H new ATOM 0 HA LEU A 31 -2.437 -2.451 7.781 1.00 52.40 H new ATOM 0 HB2 LEU A 31 -4.347 -1.020 8.330 1.00 64.54 H new ATOM 0 HB3 LEU A 31 -3.567 -0.541 9.824 1.00 64.54 H new ATOM 0 HG LEU A 31 -3.472 1.091 8.035 1.00 71.33 H new ATOM 0 HD11 LEU A 31 -1.081 1.761 8.170 1.00 25.43 H new ATOM 0 HD12 LEU A 31 -1.791 1.331 9.745 1.00 25.43 H new ATOM 0 HD13 LEU A 31 -0.715 0.185 8.911 1.00 25.43 H new ATOM 0 HD21 LEU A 31 -1.771 0.779 6.169 1.00 43.40 H new ATOM 0 HD22 LEU A 31 -1.539 -0.897 6.720 1.00 43.40 H new ATOM 0 HD23 LEU A 31 -3.116 -0.382 6.075 1.00 43.40 H new ATOM 438 N PRO A 32 -1.058 -1.901 10.788 1.00 34.21 N ATOM 439 CA PRO A 32 0.242 -1.894 11.464 1.00 73.23 C ATOM 440 C PRO A 32 1.067 -3.197 11.404 1.00 70.22 C ATOM 441 O PRO A 32 2.072 -3.315 12.110 1.00 42.24 O ATOM 442 CB PRO A 32 0.012 -1.342 12.870 1.00 12.11 C ATOM 443 CG PRO A 32 -1.469 -1.615 13.119 1.00 45.24 C ATOM 444 CD PRO A 32 -2.073 -1.444 11.730 1.00 32.22 C ATOM 0 HA PRO A 32 0.913 -1.243 10.904 1.00 73.23 H new ATOM 0 HB2 PRO A 32 0.642 -1.842 13.606 1.00 12.11 H new ATOM 0 HB3 PRO A 32 0.239 -0.277 12.926 1.00 12.11 H new ATOM 0 HG2 PRO A 32 -1.636 -2.617 13.514 1.00 45.24 H new ATOM 0 HG3 PRO A 32 -1.896 -0.914 13.836 1.00 45.24 H new ATOM 0 HD2 PRO A 32 -2.989 -2.026 11.629 1.00 32.22 H new ATOM 0 HD3 PRO A 32 -2.336 -0.402 11.545 1.00 32.22 H new ATOM 449 N ALA A 33 0.638 -4.211 10.647 1.00 70.11 N ATOM 450 CA ALA A 33 1.443 -5.375 10.294 1.00 33.44 C ATOM 451 C ALA A 33 1.608 -5.533 8.779 1.00 14.03 C ATOM 452 O ALA A 33 2.674 -5.974 8.357 1.00 54.00 O ATOM 453 CB ALA A 33 0.821 -6.618 10.917 1.00 34.33 C ATOM 0 H ALA A 33 -0.303 -4.242 10.255 1.00 70.11 H new ATOM 0 HA ALA A 33 2.448 -5.232 10.692 1.00 33.44 H new ATOM 0 HB1 ALA A 33 1.418 -7.493 10.657 1.00 34.33 H new ATOM 0 HB2 ALA A 33 0.793 -6.507 12.001 1.00 34.33 H new ATOM 0 HB3 ALA A 33 -0.193 -6.746 10.539 1.00 34.33 H new ATOM 459 N PHE A 34 0.601 -5.177 7.970 1.00 22.23 N ATOM 460 CA PHE A 34 0.527 -5.451 6.532 1.00 24.45 C ATOM 461 C PHE A 34 1.659 -4.818 5.725 1.00 51.02 C ATOM 462 O PHE A 34 1.911 -5.225 4.596 1.00 32.52 O ATOM 463 CB PHE A 34 -0.850 -5.052 5.970 1.00 50.04 C ATOM 464 CG PHE A 34 -1.016 -5.245 4.462 1.00 23.43 C ATOM 465 CD1 PHE A 34 -0.654 -6.460 3.835 1.00 3.35 C ATOM 466 CD2 PHE A 34 -1.478 -4.178 3.667 1.00 14.22 C ATOM 467 CE1 PHE A 34 -0.753 -6.591 2.439 1.00 1.11 C ATOM 468 CE2 PHE A 34 -1.606 -4.324 2.277 1.00 54.20 C ATOM 469 CZ PHE A 34 -1.242 -5.529 1.660 1.00 21.31 C ATOM 0 H PHE A 34 -0.215 -4.671 8.314 1.00 22.23 H new ATOM 0 HA PHE A 34 0.656 -6.528 6.422 1.00 24.45 H new ATOM 0 HB2 PHE A 34 -1.616 -5.634 6.482 1.00 50.04 H new ATOM 0 HB3 PHE A 34 -1.033 -4.004 6.209 1.00 50.04 H new ATOM 0 HD1 PHE A 34 -0.301 -7.289 4.430 1.00 3.35 H new ATOM 0 HD2 PHE A 34 -1.736 -3.238 4.132 1.00 14.22 H new ATOM 0 HE1 PHE A 34 -0.452 -7.512 1.963 1.00 1.11 H new ATOM 0 HE2 PHE A 34 -1.986 -3.507 1.682 1.00 54.20 H new ATOM 0 HZ PHE A 34 -1.337 -5.641 0.590 1.00 21.31 H new ATOM 478 N GLY A 35 2.388 -3.862 6.284 1.00 73.42 N ATOM 479 CA GLY A 35 3.592 -3.309 5.696 1.00 52.04 C ATOM 480 C GLY A 35 4.774 -3.604 6.593 1.00 42.43 C ATOM 481 O GLY A 35 5.770 -4.159 6.131 1.00 52.20 O ATOM 0 H GLY A 35 2.149 -3.441 7.182 1.00 73.42 H new ATOM 0 HA2 GLY A 35 3.756 -3.738 4.707 1.00 52.04 H new ATOM 0 HA3 GLY A 35 3.483 -2.233 5.563 1.00 52.04 H new ATOM 485 N GLN A 36 4.638 -3.270 7.878 1.00 73.33 N ATOM 486 CA GLN A 36 5.635 -3.417 8.922 1.00 64.12 C ATOM 487 C GLN A 36 6.362 -4.773 8.921 1.00 73.42 C ATOM 488 O GLN A 36 7.558 -4.791 9.192 1.00 61.44 O ATOM 489 CB GLN A 36 4.933 -3.176 10.270 1.00 61.41 C ATOM 490 CG GLN A 36 4.945 -1.732 10.782 1.00 61.44 C ATOM 491 CD GLN A 36 4.082 -0.701 10.082 1.00 74.23 C ATOM 492 OE1 GLN A 36 2.897 -0.569 10.334 1.00 1.01 O ATOM 493 NE2 GLN A 36 4.637 0.130 9.230 1.00 61.21 N ATOM 0 H GLN A 36 3.771 -2.865 8.232 1.00 73.33 H new ATOM 0 HA GLN A 36 6.422 -2.685 8.739 1.00 64.12 H new ATOM 0 HB2 GLN A 36 3.896 -3.501 10.181 1.00 61.41 H new ATOM 0 HB3 GLN A 36 5.403 -3.811 11.021 1.00 61.41 H new ATOM 0 HG2 GLN A 36 4.650 -1.752 11.831 1.00 61.44 H new ATOM 0 HG3 GLN A 36 5.975 -1.378 10.747 1.00 61.44 H new ATOM 0 HE21 GLN A 36 5.627 0.041 9.002 1.00 61.21 H new ATOM 0 HE22 GLN A 36 4.078 0.865 8.796 1.00 61.21 H new ATOM 500 N ARG A 37 5.681 -5.893 8.637 1.00 21.12 N ATOM 501 CA ARG A 37 6.269 -7.239 8.651 1.00 51.14 C ATOM 502 C ARG A 37 6.066 -7.999 7.334 1.00 74.42 C ATOM 503 O ARG A 37 6.146 -9.228 7.310 1.00 72.22 O ATOM 504 CB ARG A 37 5.735 -8.014 9.870 1.00 54.24 C ATOM 505 CG ARG A 37 6.412 -7.569 11.175 1.00 52.31 C ATOM 506 CD ARG A 37 6.194 -8.615 12.291 1.00 72.25 C ATOM 507 NE ARG A 37 7.133 -8.480 13.423 1.00 30.30 N ATOM 508 CZ ARG A 37 7.483 -9.474 14.261 1.00 12.02 C ATOM 509 NH1 ARG A 37 6.846 -10.645 14.259 1.00 24.40 N ATOM 510 NH2 ARG A 37 8.482 -9.317 15.124 1.00 43.24 N ATOM 0 H ARG A 37 4.692 -5.888 8.388 1.00 21.12 H new ATOM 0 HA ARG A 37 7.350 -7.138 8.745 1.00 51.14 H new ATOM 0 HB2 ARG A 37 4.658 -7.865 9.951 1.00 54.24 H new ATOM 0 HB3 ARG A 37 5.899 -9.081 9.722 1.00 54.24 H new ATOM 0 HG2 ARG A 37 7.480 -7.428 11.006 1.00 52.31 H new ATOM 0 HG3 ARG A 37 6.009 -6.606 11.489 1.00 52.31 H new ATOM 0 HD2 ARG A 37 5.174 -8.528 12.664 1.00 72.25 H new ATOM 0 HD3 ARG A 37 6.293 -9.614 11.865 1.00 72.25 H new ATOM 0 HE ARG A 37 7.549 -7.562 13.582 1.00 30.30 H new ATOM 0 HH11 ARG A 37 6.074 -10.804 13.612 1.00 24.40 H new ATOM 0 HH12 ARG A 37 7.131 -11.382 14.904 1.00 24.40 H new ATOM 0 HH21 ARG A 37 8.994 -8.435 15.157 1.00 43.24 H new ATOM 0 HH22 ARG A 37 8.737 -10.078 15.753 1.00 43.24 H new ATOM 521 N ILE A 38 5.748 -7.311 6.239 1.00 14.44 N ATOM 522 CA ILE A 38 5.394 -7.948 4.961 1.00 73.11 C ATOM 523 C ILE A 38 6.103 -7.247 3.792 1.00 54.24 C ATOM 524 O ILE A 38 6.534 -7.905 2.842 1.00 52.41 O ATOM 525 CB ILE A 38 3.856 -7.928 4.773 1.00 62.53 C ATOM 526 CG1 ILE A 38 3.014 -8.343 6.005 1.00 42.02 C ATOM 527 CG2 ILE A 38 3.394 -8.701 3.525 1.00 24.52 C ATOM 528 CD1 ILE A 38 2.907 -9.820 6.356 1.00 31.33 C ATOM 0 H ILE A 38 5.727 -6.292 6.208 1.00 14.44 H new ATOM 0 HA ILE A 38 5.728 -8.985 4.977 1.00 73.11 H new ATOM 0 HB ILE A 38 3.654 -6.866 4.630 1.00 62.53 H new ATOM 0 HG12 ILE A 38 3.423 -7.826 6.873 1.00 42.02 H new ATOM 0 HG13 ILE A 38 2.003 -7.965 5.856 1.00 42.02 H new ATOM 0 HG21 ILE A 38 2.308 -8.651 3.447 1.00 24.52 H new ATOM 0 HG22 ILE A 38 3.842 -8.258 2.636 1.00 24.52 H new ATOM 0 HG23 ILE A 38 3.704 -9.743 3.607 1.00 24.52 H new ATOM 0 HD11 ILE A 38 2.284 -9.939 7.242 1.00 31.33 H new ATOM 0 HD12 ILE A 38 2.459 -10.361 5.522 1.00 31.33 H new ATOM 0 HD13 ILE A 38 3.901 -10.220 6.555 1.00 31.33 H new ATOM 539 N ILE A 39 6.201 -5.917 3.852 1.00 22.14 N ATOM 540 CA ILE A 39 6.672 -5.042 2.780 1.00 10.55 C ATOM 541 C ILE A 39 8.077 -4.516 3.145 1.00 74.41 C ATOM 542 O ILE A 39 8.745 -3.890 2.327 1.00 65.02 O ATOM 543 CB ILE A 39 5.612 -3.923 2.557 1.00 5.52 C ATOM 544 CG1 ILE A 39 4.178 -4.461 2.324 1.00 5.42 C ATOM 545 CG2 ILE A 39 5.924 -2.937 1.422 1.00 32.44 C ATOM 546 CD1 ILE A 39 3.936 -5.267 1.052 1.00 21.42 C ATOM 0 H ILE A 39 5.941 -5.398 4.691 1.00 22.14 H new ATOM 0 HA ILE A 39 6.778 -5.570 1.832 1.00 10.55 H new ATOM 0 HB ILE A 39 5.665 -3.386 3.504 1.00 5.52 H new ATOM 0 HG12 ILE A 39 3.908 -5.085 3.176 1.00 5.42 H new ATOM 0 HG13 ILE A 39 3.494 -3.612 2.322 1.00 5.42 H new ATOM 0 HG21 ILE A 39 5.125 -2.199 1.351 1.00 32.44 H new ATOM 0 HG22 ILE A 39 6.867 -2.431 1.628 1.00 32.44 H new ATOM 0 HG23 ILE A 39 6.002 -3.480 0.480 1.00 32.44 H new ATOM 0 HD11 ILE A 39 2.893 -5.582 1.014 1.00 21.42 H new ATOM 0 HD12 ILE A 39 4.161 -4.650 0.182 1.00 21.42 H new ATOM 0 HD13 ILE A 39 4.581 -6.146 1.050 1.00 21.42 H new ATOM 557 N GLY A 40 8.569 -4.758 4.367 1.00 74.25 N ATOM 558 CA GLY A 40 9.888 -4.305 4.793 1.00 43.25 C ATOM 559 C GLY A 40 9.998 -2.784 4.874 1.00 64.05 C ATOM 560 O GLY A 40 11.096 -2.254 5.011 1.00 10.24 O ATOM 0 H GLY A 40 8.059 -5.274 5.084 1.00 74.25 H new ATOM 0 HA2 GLY A 40 10.115 -4.733 5.769 1.00 43.25 H new ATOM 0 HA3 GLY A 40 10.638 -4.682 4.097 1.00 43.25 H new ATOM 564 N TRP A 41 8.875 -2.061 4.817 1.00 13.54 N ATOM 565 CA TRP A 41 8.840 -0.603 4.748 1.00 52.33 C ATOM 566 C TRP A 41 9.016 0.061 6.119 1.00 2.02 C ATOM 567 O TRP A 41 8.618 1.217 6.299 1.00 73.23 O ATOM 568 CB TRP A 41 7.571 -0.171 3.989 1.00 24.22 C ATOM 569 CG TRP A 41 6.254 -0.165 4.700 1.00 13.21 C ATOM 570 CD1 TRP A 41 6.027 -0.585 5.964 1.00 22.55 C ATOM 571 CD2 TRP A 41 4.966 0.324 4.204 1.00 73.21 C ATOM 572 NE1 TRP A 41 4.740 -0.282 6.322 1.00 14.32 N ATOM 573 CE2 TRP A 41 4.036 0.281 5.285 1.00 61.20 C ATOM 574 CE3 TRP A 41 4.476 0.794 2.960 1.00 30.21 C ATOM 575 CZ2 TRP A 41 2.713 0.716 5.161 1.00 32.35 C ATOM 576 CZ3 TRP A 41 3.139 1.206 2.816 1.00 22.45 C ATOM 577 CH2 TRP A 41 2.274 1.191 3.921 1.00 45.01 C ATOM 0 H TRP A 41 7.947 -2.485 4.818 1.00 13.54 H new ATOM 0 HA TRP A 41 9.701 -0.245 4.184 1.00 52.33 H new ATOM 0 HB2 TRP A 41 7.743 0.837 3.612 1.00 24.22 H new ATOM 0 HB3 TRP A 41 7.471 -0.823 3.122 1.00 24.22 H new ATOM 0 HD1 TRP A 41 6.749 -1.083 6.595 1.00 22.55 H new ATOM 0 HE1 TRP A 41 4.350 -0.454 7.249 1.00 14.32 H new ATOM 0 HE3 TRP A 41 5.140 0.836 2.109 1.00 30.21 H new ATOM 0 HZ2 TRP A 41 2.042 0.686 6.007 1.00 32.35 H new ATOM 0 HZ3 TRP A 41 2.777 1.535 1.853 1.00 22.45 H new ATOM 0 HH2 TRP A 41 1.261 1.549 3.813 1.00 45.01 H new ATOM 587 N GLY A 42 9.552 -0.692 7.086 1.00 63.12 N ATOM 588 CA GLY A 42 9.735 -0.334 8.480 1.00 5.11 C ATOM 589 C GLY A 42 8.455 0.265 8.996 1.00 24.31 C ATOM 590 O GLY A 42 7.389 -0.350 8.918 1.00 42.32 O ATOM 0 H GLY A 42 9.891 -1.634 6.891 1.00 63.12 H new ATOM 0 HA2 GLY A 42 10.003 -1.214 9.064 1.00 5.11 H new ATOM 0 HA3 GLY A 42 10.554 0.378 8.583 1.00 5.11 H new ATOM 594 N THR A 43 8.564 1.515 9.412 1.00 22.13 N ATOM 595 CA THR A 43 7.428 2.360 9.682 1.00 2.44 C ATOM 596 C THR A 43 7.877 3.787 9.420 1.00 74.44 C ATOM 597 O THR A 43 8.814 4.262 10.064 1.00 4.45 O ATOM 598 CB THR A 43 6.945 2.217 11.132 1.00 45.43 C ATOM 599 OG1 THR A 43 6.841 0.879 11.564 1.00 44.02 O ATOM 600 CG2 THR A 43 5.594 2.902 11.254 1.00 74.43 C ATOM 0 H THR A 43 9.461 1.973 9.572 1.00 22.13 H new ATOM 0 HA THR A 43 6.590 2.077 9.045 1.00 2.44 H new ATOM 0 HB THR A 43 7.692 2.684 11.775 1.00 45.43 H new ATOM 0 HG1 THR A 43 6.531 0.858 12.493 1.00 44.02 H new ATOM 0 HG21 THR A 43 5.232 2.812 12.278 1.00 74.43 H new ATOM 0 HG22 THR A 43 5.696 3.956 10.996 1.00 74.43 H new ATOM 0 HG23 THR A 43 4.884 2.430 10.575 1.00 74.43 H new ATOM 608 N GLY A 44 7.192 4.456 8.499 1.00 52.02 N ATOM 609 CA GLY A 44 7.425 5.843 8.171 1.00 25.53 C ATOM 610 C GLY A 44 8.061 5.973 6.798 1.00 41.04 C ATOM 611 O GLY A 44 8.005 5.060 5.964 1.00 62.30 O ATOM 0 H GLY A 44 6.443 4.032 7.951 1.00 52.02 H new ATOM 0 HA2 GLY A 44 6.482 6.390 8.193 1.00 25.53 H new ATOM 0 HA3 GLY A 44 8.074 6.295 8.921 1.00 25.53 H new ATOM 615 N ALA A 45 8.601 7.164 6.562 1.00 11.05 N ATOM 616 CA ALA A 45 9.152 7.608 5.287 1.00 21.12 C ATOM 617 C ALA A 45 10.442 6.844 4.979 1.00 35.22 C ATOM 618 O ALA A 45 10.582 6.251 3.912 1.00 31.13 O ATOM 619 CB ALA A 45 9.408 9.117 5.363 1.00 53.32 C ATOM 0 H ALA A 45 8.669 7.878 7.287 1.00 11.05 H new ATOM 0 HA ALA A 45 8.447 7.406 4.481 1.00 21.12 H new ATOM 0 HB1 ALA A 45 9.821 9.464 4.416 1.00 53.32 H new ATOM 0 HB2 ALA A 45 8.470 9.636 5.562 1.00 53.32 H new ATOM 0 HB3 ALA A 45 10.116 9.326 6.165 1.00 53.32 H new ATOM 625 N GLU A 46 11.371 6.858 5.935 1.00 23.45 N ATOM 626 CA GLU A 46 12.656 6.179 5.923 1.00 64.20 C ATOM 627 C GLU A 46 12.495 4.719 5.531 1.00 30.14 C ATOM 628 O GLU A 46 13.056 4.275 4.527 1.00 13.22 O ATOM 629 CB GLU A 46 13.229 6.300 7.339 1.00 44.43 C ATOM 630 CG GLU A 46 14.315 7.365 7.429 1.00 74.44 C ATOM 631 CD GLU A 46 14.556 7.683 8.897 1.00 70.32 C ATOM 632 OE1 GLU A 46 15.245 6.895 9.590 1.00 11.04 O ATOM 633 OE2 GLU A 46 13.963 8.670 9.380 1.00 30.45 O ATOM 0 H GLU A 46 11.230 7.383 6.798 1.00 23.45 H new ATOM 0 HA GLU A 46 13.326 6.629 5.190 1.00 64.20 H new ATOM 0 HB2 GLU A 46 12.426 6.542 8.035 1.00 44.43 H new ATOM 0 HB3 GLU A 46 13.639 5.338 7.647 1.00 44.43 H new ATOM 0 HG2 GLU A 46 15.234 7.010 6.962 1.00 74.44 H new ATOM 0 HG3 GLU A 46 14.011 8.263 6.891 1.00 74.44 H new ATOM 638 N GLY A 47 11.699 3.992 6.318 1.00 23.43 N ATOM 639 CA GLY A 47 11.526 2.569 6.156 1.00 65.30 C ATOM 640 C GLY A 47 11.123 2.228 4.724 1.00 1.53 C ATOM 641 O GLY A 47 11.716 1.343 4.102 1.00 50.10 O ATOM 0 H GLY A 47 11.158 4.388 7.087 1.00 23.43 H new ATOM 0 HA2 GLY A 47 12.453 2.055 6.409 1.00 65.30 H new ATOM 0 HA3 GLY A 47 10.764 2.210 6.848 1.00 65.30 H new ATOM 645 N ALA A 48 10.145 2.962 4.185 1.00 13.15 N ATOM 646 CA ALA A 48 9.688 2.778 2.821 1.00 23.13 C ATOM 647 C ALA A 48 10.773 3.127 1.799 1.00 23.15 C ATOM 648 O ALA A 48 10.878 2.431 0.792 1.00 0.13 O ATOM 649 CB ALA A 48 8.411 3.594 2.589 1.00 55.10 C ATOM 0 H ALA A 48 9.653 3.699 4.690 1.00 13.15 H new ATOM 0 HA ALA A 48 9.461 1.722 2.676 1.00 23.13 H new ATOM 0 HB1 ALA A 48 8.071 3.453 1.563 1.00 55.10 H new ATOM 0 HB2 ALA A 48 7.635 3.259 3.278 1.00 55.10 H new ATOM 0 HB3 ALA A 48 8.618 4.650 2.761 1.00 55.10 H new ATOM 655 N ARG A 49 11.578 4.174 2.014 1.00 55.20 N ATOM 656 CA ARG A 49 12.567 4.627 1.046 1.00 55.21 C ATOM 657 C ARG A 49 13.633 3.556 0.875 1.00 53.53 C ATOM 658 O ARG A 49 13.893 3.120 -0.246 1.00 55.40 O ATOM 659 CB ARG A 49 13.186 5.946 1.535 1.00 20.45 C ATOM 660 CG ARG A 49 14.178 6.497 0.506 1.00 0.34 C ATOM 661 CD ARG A 49 14.914 7.707 1.074 1.00 3.25 C ATOM 662 NE ARG A 49 15.869 8.262 0.111 1.00 52.11 N ATOM 663 CZ ARG A 49 16.668 9.314 0.333 1.00 74.23 C ATOM 664 NH1 ARG A 49 16.712 9.894 1.531 1.00 33.03 N ATOM 665 NH2 ARG A 49 17.402 9.783 -0.663 1.00 43.14 N ATOM 0 H ARG A 49 11.557 4.729 2.870 1.00 55.20 H new ATOM 0 HA ARG A 49 12.095 4.802 0.079 1.00 55.21 H new ATOM 0 HB2 ARG A 49 12.398 6.678 1.715 1.00 20.45 H new ATOM 0 HB3 ARG A 49 13.694 5.784 2.486 1.00 20.45 H new ATOM 0 HG2 ARG A 49 14.895 5.723 0.231 1.00 0.34 H new ATOM 0 HG3 ARG A 49 13.649 6.779 -0.404 1.00 0.34 H new ATOM 0 HD2 ARG A 49 14.192 8.474 1.353 1.00 3.25 H new ATOM 0 HD3 ARG A 49 15.441 7.419 1.984 1.00 3.25 H new ATOM 0 HE ARG A 49 15.930 7.811 -0.802 1.00 52.11 H new ATOM 0 HH11 ARG A 49 16.133 9.538 2.292 1.00 33.03 H new ATOM 0 HH12 ARG A 49 17.324 10.694 1.688 1.00 33.03 H new ATOM 0 HH21 ARG A 49 17.354 9.344 -1.583 1.00 43.14 H new ATOM 0 HH22 ARG A 49 18.016 10.583 -0.511 1.00 43.14 H new ATOM 676 N GLN A 50 14.233 3.135 1.987 1.00 32.44 N ATOM 677 CA GLN A 50 15.389 2.268 2.014 1.00 64.10 C ATOM 678 C GLN A 50 15.055 0.894 1.446 1.00 3.20 C ATOM 679 O GLN A 50 15.974 0.197 1.027 1.00 71.13 O ATOM 680 CB GLN A 50 15.925 2.209 3.451 1.00 5.53 C ATOM 681 CG GLN A 50 17.001 3.274 3.718 1.00 23.45 C ATOM 682 CD GLN A 50 16.608 4.727 3.439 1.00 62.03 C ATOM 683 OE1 GLN A 50 16.723 5.176 2.201 1.00 71.21 O flip ATOM 684 NE2 GLN A 50 16.239 5.498 4.321 1.00 0.45 N flip ATOM 0 H GLN A 50 13.911 3.401 2.918 1.00 32.44 H new ATOM 0 HA GLN A 50 16.176 2.668 1.374 1.00 64.10 H new ATOM 0 HB2 GLN A 50 15.100 2.347 4.150 1.00 5.53 H new ATOM 0 HB3 GLN A 50 16.342 1.220 3.640 1.00 5.53 H new ATOM 0 HG2 GLN A 50 17.305 3.197 4.762 1.00 23.45 H new ATOM 0 HG3 GLN A 50 17.875 3.035 3.113 1.00 23.45 H new ATOM 0 HE21 GLN A 50 16.145 5.167 5.281 1.00 0.45 H new ATOM 0 HE22 GLN A 50 16.026 6.469 4.093 1.00 0.45 H new ATOM 691 N ARG A 51 13.774 0.514 1.355 1.00 60.33 N ATOM 692 CA ARG A 51 13.383 -0.737 0.722 1.00 43.31 C ATOM 693 C ARG A 51 13.000 -0.547 -0.737 1.00 42.13 C ATOM 694 O ARG A 51 13.475 -1.311 -1.574 1.00 40.11 O ATOM 695 CB ARG A 51 12.272 -1.402 1.557 1.00 23.44 C ATOM 696 CG ARG A 51 12.206 -2.930 1.436 1.00 45.11 C ATOM 697 CD ARG A 51 13.465 -3.607 1.996 1.00 50.42 C ATOM 698 NE ARG A 51 13.236 -5.027 2.321 1.00 64.35 N ATOM 699 CZ ARG A 51 13.737 -5.700 3.366 1.00 12.31 C ATOM 700 NH1 ARG A 51 14.445 -5.096 4.316 1.00 64.02 N ATOM 701 NH2 ARG A 51 13.528 -7.001 3.493 1.00 45.25 N ATOM 0 H ARG A 51 12.993 1.063 1.716 1.00 60.33 H new ATOM 0 HA ARG A 51 14.240 -1.410 0.701 1.00 43.31 H new ATOM 0 HB2 ARG A 51 12.418 -1.140 2.605 1.00 23.44 H new ATOM 0 HB3 ARG A 51 11.311 -0.985 1.255 1.00 23.44 H new ATOM 0 HG2 ARG A 51 11.329 -3.298 1.969 1.00 45.11 H new ATOM 0 HG3 ARG A 51 12.082 -3.206 0.389 1.00 45.11 H new ATOM 0 HD2 ARG A 51 14.272 -3.528 1.268 1.00 50.42 H new ATOM 0 HD3 ARG A 51 13.791 -3.079 2.892 1.00 50.42 H new ATOM 0 HE ARG A 51 12.635 -5.551 1.685 1.00 64.35 H new ATOM 0 HH11 ARG A 51 14.620 -4.093 4.262 1.00 64.02 H new ATOM 0 HH12 ARG A 51 14.813 -5.636 5.099 1.00 64.02 H new ATOM 0 HH21 ARG A 51 12.981 -7.501 2.792 1.00 45.25 H new ATOM 0 HH22 ARG A 51 13.914 -7.504 4.292 1.00 45.25 H new ATOM 712 N LEU A 52 12.198 0.478 -1.032 1.00 60.42 N ATOM 713 CA LEU A 52 11.709 0.848 -2.355 1.00 3.24 C ATOM 714 C LEU A 52 12.812 0.934 -3.366 1.00 40.43 C ATOM 715 O LEU A 52 12.750 0.250 -4.389 1.00 73.02 O ATOM 716 CB LEU A 52 11.029 2.215 -2.254 1.00 43.43 C ATOM 717 CG LEU A 52 10.497 2.905 -3.540 1.00 75.42 C ATOM 718 CD1 LEU A 52 11.176 4.221 -3.906 1.00 53.40 C ATOM 719 CD2 LEU A 52 10.282 2.073 -4.808 1.00 12.45 C ATOM 0 H LEU A 52 11.854 1.108 -0.307 1.00 60.42 H new ATOM 0 HA LEU A 52 11.015 0.076 -2.686 1.00 3.24 H new ATOM 0 HB2 LEU A 52 10.188 2.111 -1.568 1.00 43.43 H new ATOM 0 HB3 LEU A 52 11.738 2.898 -1.787 1.00 43.43 H new ATOM 0 HG LEU A 52 9.491 3.099 -3.167 1.00 75.42 H new ATOM 0 HD11 LEU A 52 10.731 4.619 -4.818 1.00 53.40 H new ATOM 0 HD12 LEU A 52 11.043 4.937 -3.095 1.00 53.40 H new ATOM 0 HD13 LEU A 52 12.240 4.049 -4.067 1.00 53.40 H new ATOM 0 HD21 LEU A 52 9.908 2.715 -5.605 1.00 12.45 H new ATOM 0 HD22 LEU A 52 11.228 1.626 -5.115 1.00 12.45 H new ATOM 0 HD23 LEU A 52 9.557 1.284 -4.607 1.00 12.45 H new ATOM 730 N GLU A 53 13.732 1.879 -3.149 1.00 74.34 N ATOM 731 CA GLU A 53 14.412 2.462 -4.293 1.00 31.11 C ATOM 732 C GLU A 53 15.222 1.392 -5.027 1.00 34.22 C ATOM 733 O GLU A 53 15.465 1.521 -6.220 1.00 62.04 O ATOM 734 CB GLU A 53 15.309 3.655 -3.872 1.00 54.50 C ATOM 735 CG GLU A 53 14.508 4.870 -3.370 1.00 22.05 C ATOM 736 CD GLU A 53 15.350 6.130 -3.158 1.00 61.42 C ATOM 737 OE1 GLU A 53 15.458 6.932 -4.109 1.00 54.10 O ATOM 738 OE2 GLU A 53 15.848 6.380 -2.036 1.00 32.13 O ATOM 0 H GLU A 53 14.009 2.239 -2.236 1.00 74.34 H new ATOM 0 HA GLU A 53 13.657 2.853 -4.976 1.00 31.11 H new ATOM 0 HB2 GLU A 53 15.991 3.329 -3.087 1.00 54.50 H new ATOM 0 HB3 GLU A 53 15.922 3.958 -4.721 1.00 54.50 H new ATOM 0 HG2 GLU A 53 13.717 5.091 -4.087 1.00 22.05 H new ATOM 0 HG3 GLU A 53 14.023 4.608 -2.430 1.00 22.05 H new ATOM 743 N ASN A 54 15.538 0.295 -4.343 1.00 62.02 N ATOM 744 CA ASN A 54 16.534 -0.698 -4.670 1.00 43.45 C ATOM 745 C ASN A 54 15.969 -2.127 -4.596 1.00 3.12 C ATOM 746 O ASN A 54 16.730 -3.093 -4.575 1.00 51.44 O ATOM 747 CB ASN A 54 17.748 -0.497 -3.730 1.00 51.53 C ATOM 748 CG ASN A 54 17.380 0.111 -2.372 1.00 24.40 C ATOM 749 OD1 ASN A 54 17.806 1.217 -2.042 1.00 13.44 O ATOM 750 ND2 ASN A 54 16.455 -0.492 -1.640 1.00 1.43 N ATOM 0 H ASN A 54 15.057 0.067 -3.473 1.00 62.02 H new ATOM 0 HA ASN A 54 16.854 -0.567 -5.704 1.00 43.45 H new ATOM 0 HB2 ASN A 54 18.234 -1.459 -3.568 1.00 51.53 H new ATOM 0 HB3 ASN A 54 18.475 0.149 -4.223 1.00 51.53 H new ATOM 0 HD21 ASN A 54 16.094 -0.039 -0.800 1.00 1.43 H new ATOM 0 HD22 ASN A 54 16.104 -1.409 -1.916 1.00 1.43 H new ATOM 756 N ILE A 55 14.647 -2.278 -4.513 1.00 11.30 N ATOM 757 CA ILE A 55 13.921 -3.537 -4.335 1.00 62.43 C ATOM 758 C ILE A 55 14.218 -4.548 -5.454 1.00 60.42 C ATOM 759 O ILE A 55 14.642 -4.163 -6.544 1.00 54.13 O ATOM 760 CB ILE A 55 12.430 -3.160 -4.235 1.00 22.04 C ATOM 761 CG1 ILE A 55 11.624 -4.210 -3.452 1.00 64.43 C ATOM 762 CG2 ILE A 55 11.803 -2.846 -5.600 1.00 14.52 C ATOM 763 CD1 ILE A 55 10.594 -3.532 -2.549 1.00 74.03 C ATOM 0 H ILE A 55 14.017 -1.478 -4.572 1.00 11.30 H new ATOM 0 HA ILE A 55 14.242 -4.052 -3.430 1.00 62.43 H new ATOM 0 HB ILE A 55 12.385 -2.233 -3.664 1.00 22.04 H new ATOM 0 HG12 ILE A 55 11.120 -4.882 -4.147 1.00 64.43 H new ATOM 0 HG13 ILE A 55 12.298 -4.820 -2.850 1.00 64.43 H new ATOM 0 HG21 ILE A 55 10.753 -2.587 -5.467 1.00 14.52 H new ATOM 0 HG22 ILE A 55 12.328 -2.007 -6.057 1.00 14.52 H new ATOM 0 HG23 ILE A 55 11.882 -3.720 -6.247 1.00 14.52 H new ATOM 0 HD11 ILE A 55 10.033 -4.291 -2.003 1.00 74.03 H new ATOM 0 HD12 ILE A 55 11.104 -2.879 -1.841 1.00 74.03 H new ATOM 0 HD13 ILE A 55 9.909 -2.942 -3.158 1.00 74.03 H new ATOM 774 N GLN A 56 13.962 -5.835 -5.210 1.00 41.13 N ATOM 775 CA GLN A 56 14.200 -6.906 -6.178 1.00 32.04 C ATOM 776 C GLN A 56 12.864 -7.543 -6.584 1.00 53.24 C ATOM 777 O GLN A 56 11.877 -7.395 -5.862 1.00 73.44 O ATOM 778 CB GLN A 56 15.100 -7.960 -5.516 1.00 0.34 C ATOM 779 CG GLN A 56 16.554 -7.494 -5.383 1.00 31.04 C ATOM 780 CD GLN A 56 16.868 -7.062 -3.950 1.00 62.04 C ATOM 781 OE1 GLN A 56 17.139 -7.912 -3.101 1.00 22.03 O ATOM 782 NE2 GLN A 56 16.861 -5.776 -3.632 1.00 35.03 N ATOM 0 H GLN A 56 13.579 -6.166 -4.324 1.00 41.13 H new ATOM 0 HA GLN A 56 14.682 -6.508 -7.071 1.00 32.04 H new ATOM 0 HB2 GLN A 56 14.707 -8.199 -4.528 1.00 0.34 H new ATOM 0 HB3 GLN A 56 15.069 -8.879 -6.102 1.00 0.34 H new ATOM 0 HG2 GLN A 56 17.225 -8.300 -5.678 1.00 31.04 H new ATOM 0 HG3 GLN A 56 16.736 -6.663 -6.064 1.00 31.04 H new ATOM 0 HE21 GLN A 56 16.636 -5.077 -4.340 1.00 35.03 H new ATOM 0 HE22 GLN A 56 17.081 -5.485 -2.679 1.00 35.03 H new ATOM 789 N PRO A 57 12.817 -8.332 -7.672 1.00 40.44 N ATOM 790 CA PRO A 57 11.633 -9.110 -8.015 1.00 21.44 C ATOM 791 C PRO A 57 11.302 -10.135 -6.924 1.00 2.52 C ATOM 792 O PRO A 57 10.128 -10.372 -6.641 1.00 61.35 O ATOM 793 CB PRO A 57 11.957 -9.786 -9.351 1.00 32.30 C ATOM 794 CG PRO A 57 13.485 -9.854 -9.365 1.00 14.22 C ATOM 795 CD PRO A 57 13.888 -8.577 -8.629 1.00 20.12 C ATOM 0 HA PRO A 57 10.748 -8.479 -8.097 1.00 21.44 H new ATOM 0 HB2 PRO A 57 11.512 -10.779 -9.415 1.00 32.30 H new ATOM 0 HB3 PRO A 57 11.575 -9.210 -10.194 1.00 32.30 H new ATOM 0 HG2 PRO A 57 13.855 -10.746 -8.859 1.00 14.22 H new ATOM 0 HG3 PRO A 57 13.879 -9.877 -10.381 1.00 14.22 H new ATOM 0 HD2 PRO A 57 14.846 -8.699 -8.124 1.00 20.12 H new ATOM 0 HD3 PRO A 57 13.996 -7.742 -9.321 1.00 20.12 H new ATOM 800 N ALA A 58 12.310 -10.732 -6.274 1.00 42.44 N ATOM 801 CA ALA A 58 12.030 -11.732 -5.249 1.00 14.21 C ATOM 802 C ALA A 58 11.328 -11.116 -4.037 1.00 31.00 C ATOM 803 O ALA A 58 10.520 -11.795 -3.401 1.00 74.02 O ATOM 804 CB ALA A 58 13.315 -12.418 -4.813 1.00 45.22 C ATOM 0 H ALA A 58 13.299 -10.544 -6.437 1.00 42.44 H new ATOM 0 HA ALA A 58 11.359 -12.471 -5.686 1.00 14.21 H new ATOM 0 HB1 ALA A 58 13.089 -13.161 -4.048 1.00 45.22 H new ATOM 0 HB2 ALA A 58 13.775 -12.908 -5.671 1.00 45.22 H new ATOM 0 HB3 ALA A 58 14.003 -11.677 -4.407 1.00 45.22 H new ATOM 810 N ASP A 59 11.594 -9.832 -3.762 1.00 52.45 N ATOM 811 CA ASP A 59 10.969 -9.074 -2.679 1.00 12.32 C ATOM 812 C ASP A 59 9.475 -8.877 -2.947 1.00 3.34 C ATOM 813 O ASP A 59 8.729 -8.494 -2.044 1.00 62.32 O ATOM 814 CB ASP A 59 11.615 -7.683 -2.510 1.00 51.25 C ATOM 815 CG ASP A 59 13.057 -7.693 -2.020 1.00 31.24 C ATOM 816 OD1 ASP A 59 13.397 -8.492 -1.122 1.00 51.24 O ATOM 817 OD2 ASP A 59 13.843 -6.845 -2.505 1.00 15.51 O ATOM 0 H ASP A 59 12.265 -9.283 -4.300 1.00 52.45 H new ATOM 0 HA ASP A 59 11.116 -9.653 -1.767 1.00 12.32 H new ATOM 0 HB2 ASP A 59 11.577 -7.164 -3.468 1.00 51.25 H new ATOM 0 HB3 ASP A 59 11.014 -7.104 -1.809 1.00 51.25 H new ATOM 821 N VAL A 60 9.013 -9.076 -4.182 1.00 21.10 N ATOM 822 CA VAL A 60 7.608 -8.994 -4.560 1.00 4.32 C ATOM 823 C VAL A 60 6.966 -10.368 -4.396 1.00 23.00 C ATOM 824 O VAL A 60 5.938 -10.486 -3.729 1.00 23.40 O ATOM 825 CB VAL A 60 7.503 -8.392 -5.974 1.00 75.01 C ATOM 826 CG1 VAL A 60 6.075 -8.406 -6.520 1.00 20.41 C ATOM 827 CG2 VAL A 60 8.028 -6.954 -5.895 1.00 22.00 C ATOM 0 H VAL A 60 9.625 -9.305 -4.965 1.00 21.10 H new ATOM 0 HA VAL A 60 7.046 -8.325 -3.908 1.00 4.32 H new ATOM 0 HB VAL A 60 8.092 -8.997 -6.663 1.00 75.01 H new ATOM 0 HG11 VAL A 60 6.063 -7.970 -7.519 1.00 20.41 H new ATOM 0 HG12 VAL A 60 5.714 -9.433 -6.568 1.00 20.41 H new ATOM 0 HG13 VAL A 60 5.428 -7.825 -5.863 1.00 20.41 H new ATOM 0 HG21 VAL A 60 7.970 -6.491 -6.880 1.00 22.00 H new ATOM 0 HG22 VAL A 60 7.423 -6.384 -5.190 1.00 22.00 H new ATOM 0 HG23 VAL A 60 9.065 -6.963 -5.559 1.00 22.00 H new ATOM 837 N SER A 61 7.599 -11.424 -4.901 1.00 64.42 N ATOM 838 CA SER A 61 7.178 -12.819 -4.770 1.00 11.30 C ATOM 839 C SER A 61 7.300 -13.396 -3.344 1.00 44.42 C ATOM 840 O SER A 61 7.259 -14.616 -3.176 1.00 62.03 O ATOM 841 CB SER A 61 8.010 -13.651 -5.744 1.00 40.23 C ATOM 842 OG SER A 61 8.049 -13.077 -7.041 1.00 3.10 O ATOM 0 H SER A 61 8.460 -11.327 -5.438 1.00 64.42 H new ATOM 0 HA SER A 61 6.113 -12.860 -5.000 1.00 11.30 H new ATOM 0 HB2 SER A 61 9.026 -13.748 -5.361 1.00 40.23 H new ATOM 0 HB3 SER A 61 7.595 -14.657 -5.806 1.00 40.23 H new ATOM 0 HG SER A 61 8.592 -13.639 -7.631 1.00 3.10 H new ATOM 847 N MET A 62 7.332 -12.563 -2.306 1.00 43.35 N ATOM 848 CA MET A 62 7.095 -12.904 -0.912 1.00 2.10 C ATOM 849 C MET A 62 5.701 -12.408 -0.483 1.00 4.22 C ATOM 850 O MET A 62 5.006 -13.044 0.295 1.00 54.41 O ATOM 851 CB MET A 62 8.233 -12.313 -0.072 1.00 11.54 C ATOM 852 CG MET A 62 8.170 -10.792 0.072 1.00 10.34 C ATOM 853 SD MET A 62 9.719 -10.014 0.581 1.00 3.10 S ATOM 854 CE MET A 62 10.097 -11.014 2.022 1.00 74.04 C ATOM 0 H MET A 62 7.537 -11.571 -2.427 1.00 43.35 H new ATOM 0 HA MET A 62 7.095 -13.983 -0.761 1.00 2.10 H new ATOM 0 HB2 MET A 62 8.211 -12.763 0.920 1.00 11.54 H new ATOM 0 HB3 MET A 62 9.186 -12.586 -0.525 1.00 11.54 H new ATOM 0 HG2 MET A 62 7.861 -10.363 -0.881 1.00 10.34 H new ATOM 0 HG3 MET A 62 7.398 -10.542 0.800 1.00 10.34 H new ATOM 0 HE1 MET A 62 10.878 -10.529 2.607 1.00 74.04 H new ATOM 0 HE2 MET A 62 9.201 -11.124 2.633 1.00 74.04 H new ATOM 0 HE3 MET A 62 10.441 -11.997 1.702 1.00 74.04 H new ATOM 862 N ILE A 63 5.239 -11.276 -1.012 1.00 62.32 N ATOM 863 CA ILE A 63 4.061 -10.565 -0.532 1.00 34.03 C ATOM 864 C ILE A 63 2.795 -11.388 -0.785 1.00 32.21 C ATOM 865 O ILE A 63 1.872 -11.369 0.034 1.00 45.44 O ATOM 866 CB ILE A 63 4.004 -9.166 -1.198 1.00 43.55 C ATOM 867 CG1 ILE A 63 5.276 -8.354 -0.855 1.00 52.55 C ATOM 868 CG2 ILE A 63 2.746 -8.388 -0.772 1.00 11.54 C ATOM 869 CD1 ILE A 63 5.423 -7.076 -1.681 1.00 45.51 C ATOM 0 H ILE A 63 5.687 -10.819 -1.806 1.00 62.32 H new ATOM 0 HA ILE A 63 4.126 -10.421 0.547 1.00 34.03 H new ATOM 0 HB ILE A 63 3.956 -9.315 -2.277 1.00 43.55 H new ATOM 0 HG12 ILE A 63 5.257 -8.093 0.203 1.00 52.55 H new ATOM 0 HG13 ILE A 63 6.153 -8.982 -1.013 1.00 52.55 H new ATOM 0 HG21 ILE A 63 2.740 -7.412 -1.258 1.00 11.54 H new ATOM 0 HG22 ILE A 63 1.857 -8.946 -1.066 1.00 11.54 H new ATOM 0 HG23 ILE A 63 2.750 -8.254 0.310 1.00 11.54 H new ATOM 0 HD11 ILE A 63 6.336 -6.557 -1.389 1.00 45.51 H new ATOM 0 HD12 ILE A 63 5.474 -7.331 -2.740 1.00 45.51 H new ATOM 0 HD13 ILE A 63 4.564 -6.428 -1.505 1.00 45.51 H new ATOM 880 N LYS A 64 2.724 -12.116 -1.901 1.00 62.25 N ATOM 881 CA LYS A 64 1.541 -12.904 -2.233 1.00 70.01 C ATOM 882 C LYS A 64 1.406 -14.088 -1.291 1.00 41.25 C ATOM 883 O LYS A 64 0.283 -14.435 -0.929 1.00 73.45 O ATOM 884 CB LYS A 64 1.539 -13.366 -3.697 1.00 53.13 C ATOM 885 CG LYS A 64 1.859 -12.269 -4.720 1.00 31.40 C ATOM 886 CD LYS A 64 3.325 -12.313 -5.172 1.00 51.14 C ATOM 887 CE LYS A 64 3.570 -11.332 -6.318 1.00 32.24 C ATOM 888 NZ LYS A 64 3.085 -11.883 -7.598 1.00 55.14 N ATOM 0 H LYS A 64 3.474 -12.175 -2.590 1.00 62.25 H new ATOM 0 HA LYS A 64 0.675 -12.254 -2.106 1.00 70.01 H new ATOM 0 HB2 LYS A 64 2.265 -14.171 -3.810 1.00 53.13 H new ATOM 0 HB3 LYS A 64 0.560 -13.785 -3.929 1.00 53.13 H new ATOM 0 HG2 LYS A 64 1.209 -12.382 -5.588 1.00 31.40 H new ATOM 0 HG3 LYS A 64 1.643 -11.293 -4.285 1.00 31.40 H new ATOM 0 HD2 LYS A 64 3.976 -12.069 -4.333 1.00 51.14 H new ATOM 0 HD3 LYS A 64 3.582 -13.323 -5.491 1.00 51.14 H new ATOM 0 HE2 LYS A 64 3.064 -10.389 -6.109 1.00 32.24 H new ATOM 0 HE3 LYS A 64 4.635 -11.113 -6.393 1.00 32.24 H new ATOM 0 HZ1 LYS A 64 2.600 -11.137 -8.136 1.00 55.14 H new ATOM 0 HZ2 LYS A 64 3.891 -12.239 -8.150 1.00 55.14 H new ATOM 0 HZ3 LYS A 64 2.422 -12.662 -7.412 1.00 55.14 H new ATOM 898 N LYS A 65 2.521 -14.638 -0.801 1.00 45.35 N ATOM 899 CA LYS A 65 2.499 -15.725 0.166 1.00 30.24 C ATOM 900 C LYS A 65 1.827 -15.289 1.469 1.00 74.45 C ATOM 901 O LYS A 65 1.258 -16.117 2.190 1.00 13.41 O ATOM 902 CB LYS A 65 3.934 -16.239 0.409 1.00 30.10 C ATOM 903 CG LYS A 65 4.468 -17.113 -0.744 1.00 11.32 C ATOM 904 CD LYS A 65 5.651 -16.479 -1.489 1.00 22.31 C ATOM 905 CE LYS A 65 7.026 -16.962 -1.006 1.00 54.54 C ATOM 906 NZ LYS A 65 7.893 -17.400 -2.125 1.00 13.44 N ATOM 0 H LYS A 65 3.459 -14.339 -1.067 1.00 45.35 H new ATOM 0 HA LYS A 65 1.906 -16.545 -0.238 1.00 30.24 H new ATOM 0 HB2 LYS A 65 4.600 -15.387 0.549 1.00 30.10 H new ATOM 0 HB3 LYS A 65 3.955 -16.816 1.334 1.00 30.10 H new ATOM 0 HG2 LYS A 65 4.775 -18.080 -0.346 1.00 11.32 H new ATOM 0 HG3 LYS A 65 3.661 -17.301 -1.452 1.00 11.32 H new ATOM 0 HD2 LYS A 65 5.555 -16.695 -2.553 1.00 22.31 H new ATOM 0 HD3 LYS A 65 5.598 -15.396 -1.378 1.00 22.31 H new ATOM 0 HE2 LYS A 65 7.520 -16.158 -0.460 1.00 54.54 H new ATOM 0 HE3 LYS A 65 6.894 -17.788 -0.307 1.00 54.54 H new ATOM 0 HZ1 LYS A 65 8.843 -17.621 -1.763 1.00 13.44 H new ATOM 0 HZ2 LYS A 65 7.486 -18.248 -2.568 1.00 13.44 H new ATOM 0 HZ3 LYS A 65 7.960 -16.639 -2.831 1.00 13.44 H new ATOM 916 N GLN A 66 1.785 -13.984 1.745 1.00 70.22 N ATOM 917 CA GLN A 66 1.161 -13.456 2.943 1.00 53.05 C ATOM 918 C GLN A 66 -0.341 -13.204 2.744 1.00 14.00 C ATOM 919 O GLN A 66 -0.991 -12.710 3.669 1.00 62.13 O ATOM 920 CB GLN A 66 1.954 -12.243 3.450 1.00 21.14 C ATOM 921 CG GLN A 66 3.137 -12.687 4.332 1.00 23.13 C ATOM 922 CD GLN A 66 4.243 -13.420 3.594 1.00 72.33 C ATOM 923 OE1 GLN A 66 4.198 -14.635 3.435 1.00 34.23 O ATOM 924 NE2 GLN A 66 5.268 -12.699 3.175 1.00 51.23 N ATOM 0 H GLN A 66 2.186 -13.269 1.138 1.00 70.22 H new ATOM 0 HA GLN A 66 1.200 -14.204 3.735 1.00 53.05 H new ATOM 0 HB2 GLN A 66 2.324 -11.666 2.603 1.00 21.14 H new ATOM 0 HB3 GLN A 66 1.297 -11.587 4.020 1.00 21.14 H new ATOM 0 HG2 GLN A 66 3.563 -11.807 4.814 1.00 23.13 H new ATOM 0 HG3 GLN A 66 2.759 -13.333 5.124 1.00 23.13 H new ATOM 0 HE21 GLN A 66 5.276 -11.690 3.322 1.00 51.23 H new ATOM 0 HE22 GLN A 66 6.051 -13.152 2.704 1.00 51.23 H new ATOM 931 N GLY A 67 -0.921 -13.614 1.609 1.00 54.42 N ATOM 932 CA GLY A 67 -2.364 -13.613 1.408 1.00 22.23 C ATOM 933 C GLY A 67 -2.863 -12.394 0.640 1.00 70.13 C ATOM 934 O GLY A 67 -4.028 -12.018 0.773 1.00 62.13 O ATOM 0 H GLY A 67 -0.395 -13.956 0.805 1.00 54.42 H new ATOM 0 HA2 GLY A 67 -2.650 -14.516 0.869 1.00 22.23 H new ATOM 0 HA3 GLY A 67 -2.859 -13.651 2.378 1.00 22.23 H new ATOM 938 N THR A 68 -1.979 -11.768 -0.133 1.00 33.04 N ATOM 939 CA THR A 68 -2.195 -10.485 -0.794 1.00 21.04 C ATOM 940 C THR A 68 -2.591 -10.720 -2.263 1.00 51.22 C ATOM 941 O THR A 68 -2.366 -11.815 -2.787 1.00 30.23 O ATOM 942 CB THR A 68 -0.879 -9.688 -0.666 1.00 50.44 C ATOM 943 OG1 THR A 68 -0.308 -9.851 0.622 1.00 1.25 O ATOM 944 CG2 THR A 68 -1.062 -8.189 -0.895 1.00 24.03 C ATOM 0 H THR A 68 -1.056 -12.157 -0.323 1.00 33.04 H new ATOM 0 HA THR A 68 -3.008 -9.921 -0.336 1.00 21.04 H new ATOM 0 HB THR A 68 -0.226 -10.090 -1.441 1.00 50.44 H new ATOM 0 HG1 THR A 68 0.468 -10.447 0.563 1.00 1.25 H new ATOM 0 HG21 THR A 68 -0.101 -7.685 -0.791 1.00 24.03 H new ATOM 0 HG22 THR A 68 -1.454 -8.019 -1.898 1.00 24.03 H new ATOM 0 HG23 THR A 68 -1.761 -7.791 -0.160 1.00 24.03 H new ATOM 952 N THR A 69 -3.122 -9.711 -2.960 1.00 32.15 N ATOM 953 CA THR A 69 -3.331 -9.719 -4.408 1.00 74.31 C ATOM 954 C THR A 69 -2.979 -8.346 -4.993 1.00 11.31 C ATOM 955 O THR A 69 -2.805 -7.373 -4.257 1.00 20.03 O ATOM 956 CB THR A 69 -4.776 -10.129 -4.758 1.00 63.21 C ATOM 957 OG1 THR A 69 -5.716 -9.436 -3.961 1.00 61.02 O ATOM 958 CG2 THR A 69 -4.988 -11.635 -4.591 1.00 12.53 C ATOM 0 H THR A 69 -3.426 -8.843 -2.519 1.00 32.15 H new ATOM 0 HA THR A 69 -2.670 -10.462 -4.854 1.00 74.31 H new ATOM 0 HB THR A 69 -4.931 -9.864 -5.804 1.00 63.21 H new ATOM 0 HG1 THR A 69 -6.623 -9.715 -4.207 1.00 61.02 H new ATOM 0 HG21 THR A 69 -6.017 -11.888 -4.846 1.00 12.53 H new ATOM 0 HG22 THR A 69 -4.308 -12.174 -5.251 1.00 12.53 H new ATOM 0 HG23 THR A 69 -4.791 -11.918 -3.557 1.00 12.53 H new ATOM 966 N LEU A 70 -2.889 -8.268 -6.323 1.00 20.15 N ATOM 967 CA LEU A 70 -2.577 -7.059 -7.087 1.00 4.11 C ATOM 968 C LEU A 70 -3.570 -5.919 -6.816 1.00 72.43 C ATOM 969 O LEU A 70 -3.179 -4.753 -6.724 1.00 32.04 O ATOM 970 CB LEU A 70 -2.544 -7.483 -8.562 1.00 51.44 C ATOM 971 CG LEU A 70 -2.320 -6.389 -9.614 1.00 75.21 C ATOM 972 CD1 LEU A 70 -0.997 -5.657 -9.403 1.00 2.31 C ATOM 973 CD2 LEU A 70 -2.314 -7.072 -10.986 1.00 14.25 C ATOM 0 H LEU A 70 -3.038 -9.080 -6.922 1.00 20.15 H new ATOM 0 HA LEU A 70 -1.614 -6.646 -6.786 1.00 4.11 H new ATOM 0 HB2 LEU A 70 -1.756 -8.227 -8.679 1.00 51.44 H new ATOM 0 HB3 LEU A 70 -3.488 -7.979 -8.790 1.00 51.44 H new ATOM 0 HG LEU A 70 -3.113 -5.645 -9.536 1.00 75.21 H new ATOM 0 HD11 LEU A 70 -0.879 -4.891 -10.170 1.00 2.31 H new ATOM 0 HD12 LEU A 70 -0.993 -5.189 -8.419 1.00 2.31 H new ATOM 0 HD13 LEU A 70 -0.173 -6.368 -9.470 1.00 2.31 H new ATOM 0 HD21 LEU A 70 -2.157 -6.325 -11.764 1.00 14.25 H new ATOM 0 HD22 LEU A 70 -1.511 -7.808 -11.022 1.00 14.25 H new ATOM 0 HD23 LEU A 70 -3.270 -7.570 -11.149 1.00 14.25 H new ATOM 984 N GLU A 71 -4.843 -6.265 -6.612 1.00 14.54 N ATOM 985 CA GLU A 71 -5.899 -5.342 -6.209 1.00 55.20 C ATOM 986 C GLU A 71 -5.594 -4.633 -4.889 1.00 21.33 C ATOM 987 O GLU A 71 -6.032 -3.508 -4.657 1.00 52.23 O ATOM 988 CB GLU A 71 -7.189 -6.135 -5.994 1.00 72.10 C ATOM 989 CG GLU A 71 -7.895 -6.573 -7.278 1.00 1.31 C ATOM 990 CD GLU A 71 -9.405 -6.674 -7.034 1.00 43.50 C ATOM 991 OE1 GLU A 71 -9.817 -7.250 -6.001 1.00 74.32 O ATOM 992 OE2 GLU A 71 -10.176 -6.081 -7.820 1.00 74.32 O ATOM 0 H GLU A 71 -5.174 -7.223 -6.727 1.00 14.54 H new ATOM 0 HA GLU A 71 -5.985 -4.596 -6.999 1.00 55.20 H new ATOM 0 HB2 GLU A 71 -6.960 -7.021 -5.402 1.00 72.10 H new ATOM 0 HB3 GLU A 71 -7.878 -5.528 -5.406 1.00 72.10 H new ATOM 0 HG2 GLU A 71 -7.694 -5.858 -8.076 1.00 1.31 H new ATOM 0 HG3 GLU A 71 -7.506 -7.536 -7.607 1.00 1.31 H new ATOM 997 N MET A 72 -4.899 -5.315 -3.983 1.00 1.52 N ATOM 998 CA MET A 72 -4.611 -4.789 -2.658 1.00 24.11 C ATOM 999 C MET A 72 -3.567 -3.685 -2.786 1.00 63.11 C ATOM 1000 O MET A 72 -3.658 -2.629 -2.166 1.00 62.42 O ATOM 1001 CB MET A 72 -4.150 -5.945 -1.760 1.00 12.14 C ATOM 1002 CG MET A 72 -4.846 -5.983 -0.409 1.00 63.44 C ATOM 1003 SD MET A 72 -4.541 -7.552 0.425 1.00 23.12 S ATOM 1004 CE MET A 72 -5.795 -8.588 -0.359 1.00 22.13 C ATOM 0 H MET A 72 -4.521 -6.248 -4.150 1.00 1.52 H new ATOM 0 HA MET A 72 -5.496 -4.350 -2.197 1.00 24.11 H new ATOM 0 HB2 MET A 72 -4.327 -6.888 -2.277 1.00 12.14 H new ATOM 0 HB3 MET A 72 -3.074 -5.865 -1.603 1.00 12.14 H new ATOM 0 HG2 MET A 72 -4.490 -5.161 0.212 1.00 63.44 H new ATOM 0 HG3 MET A 72 -5.918 -5.840 -0.543 1.00 63.44 H new ATOM 0 HE1 MET A 72 -5.775 -9.583 0.086 1.00 22.13 H new ATOM 0 HE2 MET A 72 -6.779 -8.143 -0.210 1.00 22.13 H new ATOM 0 HE3 MET A 72 -5.589 -8.664 -1.427 1.00 22.13 H new ATOM 1012 N ILE A 73 -2.564 -3.929 -3.625 1.00 31.33 N ATOM 1013 CA ILE A 73 -1.432 -3.039 -3.787 1.00 35.14 C ATOM 1014 C ILE A 73 -1.891 -1.758 -4.473 1.00 4.14 C ATOM 1015 O ILE A 73 -1.539 -0.677 -4.007 1.00 61.12 O ATOM 1016 CB ILE A 73 -0.320 -3.795 -4.538 1.00 54.23 C ATOM 1017 CG1 ILE A 73 0.035 -5.137 -3.839 1.00 52.53 C ATOM 1018 CG2 ILE A 73 0.936 -2.930 -4.732 1.00 63.23 C ATOM 1019 CD1 ILE A 73 0.022 -5.145 -2.301 1.00 13.15 C ATOM 0 H ILE A 73 -2.519 -4.760 -4.215 1.00 31.33 H new ATOM 0 HA ILE A 73 -1.014 -2.732 -2.828 1.00 35.14 H new ATOM 0 HB ILE A 73 -0.714 -4.027 -5.527 1.00 54.23 H new ATOM 0 HG12 ILE A 73 -0.664 -5.897 -4.188 1.00 52.53 H new ATOM 0 HG13 ILE A 73 1.028 -5.441 -4.171 1.00 52.53 H new ATOM 0 HG21 ILE A 73 1.694 -3.503 -5.266 1.00 63.23 H new ATOM 0 HG22 ILE A 73 0.680 -2.041 -5.309 1.00 63.23 H new ATOM 0 HG23 ILE A 73 1.326 -2.631 -3.759 1.00 63.23 H new ATOM 0 HD11 ILE A 73 0.286 -6.139 -1.940 1.00 13.15 H new ATOM 0 HD12 ILE A 73 0.744 -4.419 -1.927 1.00 13.15 H new ATOM 0 HD13 ILE A 73 -0.974 -4.883 -1.944 1.00 13.15 H new ATOM 1030 N THR A 74 -2.695 -1.878 -5.528 1.00 11.12 N ATOM 1031 CA THR A 74 -3.232 -0.741 -6.263 1.00 60.24 C ATOM 1032 C THR A 74 -4.122 0.141 -5.378 1.00 55.54 C ATOM 1033 O THR A 74 -3.999 1.364 -5.445 1.00 24.11 O ATOM 1034 CB THR A 74 -3.915 -1.231 -7.558 1.00 20.44 C ATOM 1035 OG1 THR A 74 -4.610 -2.462 -7.406 1.00 52.31 O ATOM 1036 CG2 THR A 74 -2.872 -1.460 -8.653 1.00 1.43 C ATOM 0 H THR A 74 -2.994 -2.780 -5.899 1.00 11.12 H new ATOM 0 HA THR A 74 -2.415 -0.087 -6.567 1.00 60.24 H new ATOM 0 HB THR A 74 -4.628 -0.448 -7.816 1.00 20.44 H new ATOM 0 HG1 THR A 74 -3.964 -3.193 -7.311 1.00 52.31 H new ATOM 0 HG21 THR A 74 -3.367 -1.805 -9.561 1.00 1.43 H new ATOM 0 HG22 THR A 74 -2.349 -0.526 -8.858 1.00 1.43 H new ATOM 0 HG23 THR A 74 -2.156 -2.212 -8.322 1.00 1.43 H new ATOM 1044 N ALA A 75 -4.954 -0.432 -4.498 1.00 64.02 N ATOM 1045 CA ALA A 75 -5.755 0.362 -3.569 1.00 34.25 C ATOM 1046 C ALA A 75 -4.866 1.195 -2.635 1.00 63.43 C ATOM 1047 O ALA A 75 -5.064 2.404 -2.503 1.00 15.14 O ATOM 1048 CB ALA A 75 -6.692 -0.551 -2.770 1.00 44.44 C ATOM 0 H ALA A 75 -5.087 -1.440 -4.413 1.00 64.02 H new ATOM 0 HA ALA A 75 -6.360 1.061 -4.148 1.00 34.25 H new ATOM 0 HB1 ALA A 75 -7.285 0.050 -2.080 1.00 44.44 H new ATOM 0 HB2 ALA A 75 -7.356 -1.079 -3.454 1.00 44.44 H new ATOM 0 HB3 ALA A 75 -6.102 -1.274 -2.206 1.00 44.44 H new ATOM 1054 N TRP A 76 -3.892 0.554 -1.981 1.00 61.11 N ATOM 1055 CA TRP A 76 -3.009 1.230 -1.037 1.00 24.22 C ATOM 1056 C TRP A 76 -2.093 2.242 -1.715 1.00 35.45 C ATOM 1057 O TRP A 76 -1.812 3.287 -1.129 1.00 73.02 O ATOM 1058 CB TRP A 76 -2.196 0.200 -0.246 1.00 14.22 C ATOM 1059 CG TRP A 76 -2.972 -0.347 0.904 1.00 13.15 C ATOM 1060 CD1 TRP A 76 -3.639 -1.520 0.938 1.00 24.51 C ATOM 1061 CD2 TRP A 76 -3.333 0.348 2.131 1.00 24.12 C ATOM 1062 NE1 TRP A 76 -4.362 -1.608 2.104 1.00 61.44 N ATOM 1063 CE2 TRP A 76 -4.213 -0.483 2.882 1.00 14.15 C ATOM 1064 CE3 TRP A 76 -3.064 1.638 2.639 1.00 60.41 C ATOM 1065 CZ2 TRP A 76 -4.801 -0.045 4.077 1.00 13.02 C ATOM 1066 CZ3 TRP A 76 -3.614 2.068 3.860 1.00 44.31 C ATOM 1067 CH2 TRP A 76 -4.482 1.226 4.576 1.00 65.22 C ATOM 0 H TRP A 76 -3.698 -0.441 -2.093 1.00 61.11 H new ATOM 0 HA TRP A 76 -3.638 1.794 -0.349 1.00 24.22 H new ATOM 0 HB2 TRP A 76 -1.900 -0.615 -0.906 1.00 14.22 H new ATOM 0 HB3 TRP A 76 -1.279 0.663 0.120 1.00 14.22 H new ATOM 0 HD1 TRP A 76 -3.609 -2.275 0.166 1.00 24.51 H new ATOM 0 HE1 TRP A 76 -4.938 -2.409 2.361 1.00 61.44 H new ATOM 0 HE3 TRP A 76 -2.425 2.306 2.080 1.00 60.41 H new ATOM 0 HZ2 TRP A 76 -5.494 -0.681 4.608 1.00 13.02 H new ATOM 0 HZ3 TRP A 76 -3.369 3.046 4.248 1.00 44.31 H new ATOM 0 HH2 TRP A 76 -4.904 1.559 5.513 1.00 65.22 H new ATOM 1077 N GLN A 77 -1.620 1.939 -2.922 1.00 3.15 N ATOM 1078 CA GLN A 77 -0.840 2.848 -3.739 1.00 72.12 C ATOM 1079 C GLN A 77 -1.604 4.154 -3.903 1.00 12.42 C ATOM 1080 O GLN A 77 -1.097 5.206 -3.513 1.00 64.03 O ATOM 1081 CB GLN A 77 -0.553 2.173 -5.084 1.00 72.44 C ATOM 1082 CG GLN A 77 0.044 3.125 -6.118 1.00 63.30 C ATOM 1083 CD GLN A 77 0.398 2.416 -7.414 1.00 20.31 C ATOM 1084 OE1 GLN A 77 0.212 1.215 -7.608 1.00 11.53 O ATOM 1085 NE2 GLN A 77 0.980 3.146 -8.337 1.00 22.05 N ATOM 0 H GLN A 77 -1.775 1.033 -3.363 1.00 3.15 H new ATOM 0 HA GLN A 77 0.114 3.082 -3.267 1.00 72.12 H new ATOM 0 HB2 GLN A 77 0.133 1.341 -4.927 1.00 72.44 H new ATOM 0 HB3 GLN A 77 -1.479 1.753 -5.478 1.00 72.44 H new ATOM 0 HG2 GLN A 77 -0.667 3.925 -6.326 1.00 63.30 H new ATOM 0 HG3 GLN A 77 0.938 3.592 -5.706 1.00 63.30 H new ATOM 0 HE21 GLN A 77 1.135 4.141 -8.177 1.00 22.05 H new ATOM 0 HE22 GLN A 77 1.277 2.718 -9.214 1.00 22.05 H new ATOM 1092 N ASP A 78 -2.808 4.072 -4.468 1.00 32.32 N ATOM 1093 CA ASP A 78 -3.630 5.226 -4.803 1.00 24.33 C ATOM 1094 C ASP A 78 -3.926 6.042 -3.551 1.00 44.53 C ATOM 1095 O ASP A 78 -3.729 7.253 -3.556 1.00 11.45 O ATOM 1096 CB ASP A 78 -4.922 4.762 -5.490 1.00 75.30 C ATOM 1097 CG ASP A 78 -4.975 5.251 -6.929 1.00 54.44 C ATOM 1098 OD1 ASP A 78 -5.143 6.473 -7.132 1.00 3.11 O ATOM 1099 OD2 ASP A 78 -4.892 4.402 -7.850 1.00 13.21 O ATOM 0 H ASP A 78 -3.245 3.182 -4.709 1.00 32.32 H new ATOM 0 HA ASP A 78 -3.089 5.869 -5.497 1.00 24.33 H new ATOM 0 HB2 ASP A 78 -4.980 3.674 -5.469 1.00 75.30 H new ATOM 0 HB3 ASP A 78 -5.786 5.138 -4.942 1.00 75.30 H new ATOM 1103 N PHE A 79 -4.308 5.389 -2.450 1.00 44.33 N ATOM 1104 CA PHE A 79 -4.562 6.073 -1.187 1.00 51.30 C ATOM 1105 C PHE A 79 -3.358 6.922 -0.745 1.00 55.53 C ATOM 1106 O PHE A 79 -3.541 8.058 -0.288 1.00 22.33 O ATOM 1107 CB PHE A 79 -4.952 5.042 -0.121 1.00 61.50 C ATOM 1108 CG PHE A 79 -4.999 5.606 1.285 1.00 4.15 C ATOM 1109 CD1 PHE A 79 -6.143 6.286 1.747 1.00 14.41 C ATOM 1110 CD2 PHE A 79 -3.863 5.504 2.112 1.00 42.13 C ATOM 1111 CE1 PHE A 79 -6.154 6.860 3.032 1.00 73.11 C ATOM 1112 CE2 PHE A 79 -3.863 6.101 3.382 1.00 74.51 C ATOM 1113 CZ PHE A 79 -5.004 6.781 3.835 1.00 51.24 C ATOM 0 H PHE A 79 -4.448 4.379 -2.412 1.00 44.33 H new ATOM 0 HA PHE A 79 -5.390 6.768 -1.325 1.00 51.30 H new ATOM 0 HB2 PHE A 79 -5.929 4.628 -0.369 1.00 61.50 H new ATOM 0 HB3 PHE A 79 -4.240 4.217 -0.148 1.00 61.50 H new ATOM 0 HD1 PHE A 79 -7.014 6.367 1.113 1.00 14.41 H new ATOM 0 HD2 PHE A 79 -2.992 4.966 1.768 1.00 42.13 H new ATOM 0 HE1 PHE A 79 -7.040 7.358 3.398 1.00 73.11 H new ATOM 0 HE2 PHE A 79 -2.986 6.037 4.010 1.00 74.51 H new ATOM 0 HZ PHE A 79 -4.998 7.247 4.809 1.00 51.24 H new ATOM 1122 N TYR A 80 -2.132 6.402 -0.875 1.00 60.04 N ATOM 1123 CA TYR A 80 -0.942 7.176 -0.547 1.00 53.54 C ATOM 1124 C TYR A 80 -0.675 8.258 -1.592 1.00 41.50 C ATOM 1125 O TYR A 80 -0.230 9.346 -1.240 1.00 41.43 O ATOM 1126 CB TYR A 80 0.276 6.264 -0.340 1.00 3.41 C ATOM 1127 CG TYR A 80 0.213 5.464 0.948 1.00 51.33 C ATOM 1128 CD1 TYR A 80 0.017 6.123 2.175 1.00 3.32 C ATOM 1129 CD2 TYR A 80 0.280 4.060 0.920 1.00 52.44 C ATOM 1130 CE1 TYR A 80 -0.211 5.390 3.347 1.00 23.35 C ATOM 1131 CE2 TYR A 80 0.045 3.315 2.088 1.00 60.54 C ATOM 1132 CZ TYR A 80 -0.240 3.977 3.305 1.00 2.22 C ATOM 1133 OH TYR A 80 -0.508 3.277 4.441 1.00 14.22 O ATOM 0 H TYR A 80 -1.944 5.455 -1.203 1.00 60.04 H new ATOM 0 HA TYR A 80 -1.127 7.685 0.399 1.00 53.54 H new ATOM 0 HB2 TYR A 80 0.355 5.577 -1.183 1.00 3.41 H new ATOM 0 HB3 TYR A 80 1.181 6.872 -0.338 1.00 3.41 H new ATOM 0 HD1 TYR A 80 0.042 7.202 2.214 1.00 3.32 H new ATOM 0 HD2 TYR A 80 0.513 3.552 -0.004 1.00 52.44 H new ATOM 0 HE1 TYR A 80 -0.365 5.905 4.284 1.00 23.35 H new ATOM 0 HE2 TYR A 80 0.082 2.236 2.056 1.00 60.54 H new ATOM 0 HH TYR A 80 -1.401 2.879 4.377 1.00 14.22 H new ATOM 1142 N GLU A 81 -0.941 8.025 -2.871 1.00 12.54 N ATOM 1143 CA GLU A 81 -0.862 9.060 -3.903 1.00 13.33 C ATOM 1144 C GLU A 81 -1.803 10.224 -3.560 1.00 34.44 C ATOM 1145 O GLU A 81 -1.416 11.393 -3.633 1.00 74.12 O ATOM 1146 CB GLU A 81 -1.066 8.399 -5.286 1.00 52.52 C ATOM 1147 CG GLU A 81 0.187 7.569 -5.630 1.00 20.34 C ATOM 1148 CD GLU A 81 0.178 6.776 -6.945 1.00 60.40 C ATOM 1149 OE1 GLU A 81 -0.742 6.938 -7.779 1.00 72.33 O ATOM 1150 OE2 GLU A 81 1.135 5.995 -7.162 1.00 44.22 O ATOM 0 H GLU A 81 -1.219 7.110 -3.227 1.00 12.54 H new ATOM 0 HA GLU A 81 0.123 9.524 -3.945 1.00 13.33 H new ATOM 0 HB2 GLU A 81 -1.949 7.761 -5.273 1.00 52.52 H new ATOM 0 HB3 GLU A 81 -1.235 9.161 -6.047 1.00 52.52 H new ATOM 0 HG2 GLU A 81 1.042 8.245 -5.652 1.00 20.34 H new ATOM 0 HG3 GLU A 81 0.358 6.866 -4.815 1.00 20.34 H new ATOM 1155 N GLN A 82 -2.969 9.909 -3.011 1.00 54.41 N ATOM 1156 CA GLN A 82 -3.944 10.899 -2.560 1.00 75.23 C ATOM 1157 C GLN A 82 -3.445 11.700 -1.347 1.00 41.24 C ATOM 1158 O GLN A 82 -3.636 12.920 -1.331 1.00 72.02 O ATOM 1159 CB GLN A 82 -5.325 10.272 -2.278 1.00 51.30 C ATOM 1160 CG GLN A 82 -6.228 10.160 -3.522 1.00 42.21 C ATOM 1161 CD GLN A 82 -6.378 8.736 -4.052 1.00 3.24 C ATOM 1162 OE1 GLN A 82 -6.974 7.878 -3.403 1.00 32.32 O ATOM 1163 NE2 GLN A 82 -5.914 8.476 -5.258 1.00 44.11 N ATOM 0 H GLN A 82 -3.270 8.946 -2.863 1.00 54.41 H new ATOM 0 HA GLN A 82 -4.065 11.600 -3.386 1.00 75.23 H new ATOM 0 HB2 GLN A 82 -5.182 9.278 -1.855 1.00 51.30 H new ATOM 0 HB3 GLN A 82 -5.836 10.869 -1.523 1.00 51.30 H new ATOM 0 HG2 GLN A 82 -7.215 10.552 -3.279 1.00 42.21 H new ATOM 0 HG3 GLN A 82 -5.821 10.790 -4.312 1.00 42.21 H new ATOM 0 HE21 GLN A 82 -5.422 9.200 -5.782 1.00 44.11 H new ATOM 0 HE22 GLN A 82 -6.047 7.551 -5.667 1.00 44.11 H new ATOM 1170 N GLU A 83 -2.801 11.087 -0.341 1.00 60.24 N ATOM 1171 CA GLU A 83 -2.299 11.845 0.812 1.00 75.31 C ATOM 1172 C GLU A 83 -0.947 12.517 0.520 1.00 61.42 C ATOM 1173 O GLU A 83 -0.432 13.226 1.387 1.00 22.13 O ATOM 1174 CB GLU A 83 -2.344 11.081 2.160 1.00 1.12 C ATOM 1175 CG GLU A 83 -1.682 9.700 2.283 1.00 31.21 C ATOM 1176 CD GLU A 83 -1.112 9.437 3.697 1.00 34.42 C ATOM 1177 OE1 GLU A 83 -0.207 10.181 4.138 1.00 23.51 O ATOM 1178 OE2 GLU A 83 -1.471 8.436 4.367 1.00 12.02 O ATOM 0 H GLU A 83 -2.618 10.084 -0.303 1.00 60.24 H new ATOM 0 HA GLU A 83 -3.016 12.652 0.961 1.00 75.31 H new ATOM 0 HB2 GLU A 83 -1.891 11.726 2.913 1.00 1.12 H new ATOM 0 HB3 GLU A 83 -3.393 10.963 2.431 1.00 1.12 H new ATOM 0 HG2 GLU A 83 -2.412 8.928 2.040 1.00 31.21 H new ATOM 0 HG3 GLU A 83 -0.879 9.620 1.551 1.00 31.21 H new ATOM 1183 N GLN A 84 -0.386 12.374 -0.691 1.00 75.33 N ATOM 1184 CA GLN A 84 0.882 13.000 -1.055 1.00 4.43 C ATOM 1185 C GLN A 84 0.644 14.181 -1.977 1.00 72.11 C ATOM 1186 O GLN A 84 1.168 15.261 -1.749 1.00 13.14 O ATOM 1187 CB GLN A 84 1.847 11.972 -1.655 1.00 33.32 C ATOM 1188 CG GLN A 84 1.962 11.807 -3.180 1.00 22.22 C ATOM 1189 CD GLN A 84 2.644 10.496 -3.544 1.00 33.42 C ATOM 1190 OE1 GLN A 84 2.243 9.418 -2.897 1.00 61.02 O flip ATOM 1191 NE2 GLN A 84 3.527 10.423 -4.390 1.00 32.23 N flip ATOM 0 H GLN A 84 -0.803 11.821 -1.440 1.00 75.33 H new ATOM 0 HA GLN A 84 1.357 13.386 -0.153 1.00 4.43 H new ATOM 0 HB2 GLN A 84 2.843 12.209 -1.281 1.00 33.32 H new ATOM 0 HB3 GLN A 84 1.576 10.999 -1.246 1.00 33.32 H new ATOM 0 HG2 GLN A 84 0.969 11.839 -3.627 1.00 22.22 H new ATOM 0 HG3 GLN A 84 2.526 12.641 -3.597 1.00 22.22 H new ATOM 0 HE21 GLN A 84 3.830 11.262 -4.885 1.00 32.23 H new ATOM 0 HE22 GLN A 84 3.959 9.523 -4.600 1.00 32.23 H new ATOM 1198 N GLN A 85 -0.170 13.992 -3.013 1.00 21.35 N ATOM 1199 CA GLN A 85 -0.364 15.010 -4.041 1.00 52.53 C ATOM 1200 C GLN A 85 -0.899 16.317 -3.435 1.00 23.03 C ATOM 1201 O GLN A 85 -0.556 17.401 -3.903 1.00 61.42 O ATOM 1202 CB GLN A 85 -1.244 14.460 -5.172 1.00 62.04 C ATOM 1203 CG GLN A 85 -2.715 14.289 -4.778 1.00 13.21 C ATOM 1204 CD GLN A 85 -3.585 13.582 -5.816 1.00 20.35 C ATOM 1205 OE1 GLN A 85 -3.153 13.198 -6.904 1.00 72.42 O ATOM 1206 NE2 GLN A 85 -4.852 13.425 -5.466 1.00 3.43 N ATOM 0 H GLN A 85 -0.708 13.138 -3.162 1.00 21.35 H new ATOM 0 HA GLN A 85 0.600 15.261 -4.483 1.00 52.53 H new ATOM 0 HB2 GLN A 85 -1.182 15.131 -6.028 1.00 62.04 H new ATOM 0 HB3 GLN A 85 -0.848 13.496 -5.493 1.00 62.04 H new ATOM 0 HG2 GLN A 85 -2.762 13.729 -3.844 1.00 13.21 H new ATOM 0 HG3 GLN A 85 -3.139 15.273 -4.581 1.00 13.21 H new ATOM 0 HE21 GLN A 85 -5.175 13.756 -4.557 1.00 3.43 H new ATOM 0 HE22 GLN A 85 -5.506 12.973 -6.106 1.00 3.43 H new ATOM 1213 N ARG A 86 -1.660 16.223 -2.333 1.00 71.31 N ATOM 1214 CA ARG A 86 -2.136 17.384 -1.584 1.00 75.22 C ATOM 1215 C ARG A 86 -0.989 18.272 -1.090 1.00 35.31 C ATOM 1216 O ARG A 86 -1.166 19.489 -1.112 1.00 74.31 O ATOM 1217 CB ARG A 86 -3.091 16.985 -0.436 1.00 13.14 C ATOM 1218 CG ARG A 86 -2.486 15.986 0.566 1.00 75.31 C ATOM 1219 CD ARG A 86 -3.443 15.569 1.702 1.00 15.45 C ATOM 1220 NE ARG A 86 -3.786 16.703 2.583 1.00 64.40 N ATOM 1221 CZ ARG A 86 -4.217 16.688 3.853 1.00 72.41 C ATOM 1222 NH1 ARG A 86 -4.355 15.565 4.544 1.00 42.14 N ATOM 1223 NH2 ARG A 86 -4.515 17.827 4.460 1.00 1.31 N ATOM 0 H ARG A 86 -1.961 15.332 -1.939 1.00 71.31 H new ATOM 0 HA ARG A 86 -2.715 17.985 -2.285 1.00 75.22 H new ATOM 0 HB2 ARG A 86 -3.392 17.885 0.101 1.00 13.14 H new ATOM 0 HB3 ARG A 86 -3.995 16.552 -0.864 1.00 13.14 H new ATOM 0 HG2 ARG A 86 -2.171 15.093 0.026 1.00 75.31 H new ATOM 0 HG3 ARG A 86 -1.590 16.426 1.004 1.00 75.31 H new ATOM 0 HD2 ARG A 86 -4.355 15.155 1.273 1.00 15.45 H new ATOM 0 HD3 ARG A 86 -2.981 14.778 2.293 1.00 15.45 H new ATOM 0 HE ARG A 86 -3.680 17.628 2.167 1.00 64.40 H new ATOM 0 HH11 ARG A 86 -4.130 14.669 4.111 1.00 42.14 H new ATOM 0 HH12 ARG A 86 -4.686 15.597 5.508 1.00 42.14 H new ATOM 0 HH21 ARG A 86 -4.416 18.711 3.962 1.00 1.31 H new ATOM 0 HH22 ARG A 86 -4.843 17.820 5.426 1.00 1.31 H new ATOM 1234 N ASN A 87 0.156 17.729 -0.649 1.00 22.01 N ATOM 1235 CA ASN A 87 1.242 18.521 -0.093 1.00 32.35 C ATOM 1236 C ASN A 87 2.601 17.877 -0.339 1.00 22.42 C ATOM 1237 O ASN A 87 2.822 16.712 -0.017 1.00 22.14 O ATOM 1238 CB ASN A 87 1.024 18.797 1.398 1.00 63.14 C ATOM 1239 CG ASN A 87 1.497 17.719 2.364 1.00 75.33 C ATOM 1240 OD1 ASN A 87 0.762 16.629 2.496 1.00 74.40 O flip ATOM 1241 ND2 ASN A 87 2.496 17.890 3.053 1.00 40.20 N flip ATOM 0 H ASN A 87 0.346 16.727 -0.672 1.00 22.01 H new ATOM 0 HA ASN A 87 1.238 19.478 -0.615 1.00 32.35 H new ATOM 0 HB2 ASN A 87 1.531 19.728 1.651 1.00 63.14 H new ATOM 0 HB3 ASN A 87 -0.041 18.960 1.563 1.00 63.14 H new ATOM 0 HD21 ASN A 87 3.054 18.736 2.941 1.00 40.20 H new ATOM 0 HD22 ASN A 87 2.769 17.186 3.739 1.00 40.20 H new ATOM 1247 N GLU A 88 3.537 18.657 -0.876 1.00 60.14 N ATOM 1248 CA GLU A 88 4.910 18.221 -1.128 1.00 24.14 C ATOM 1249 C GLU A 88 5.576 17.717 0.161 1.00 55.34 C ATOM 1250 O GLU A 88 6.424 16.825 0.105 1.00 35.34 O ATOM 1251 CB GLU A 88 5.726 19.380 -1.747 1.00 35.21 C ATOM 1252 CG GLU A 88 5.896 19.259 -3.270 1.00 41.23 C ATOM 1253 CD GLU A 88 6.944 18.205 -3.642 1.00 31.33 C ATOM 1254 OE1 GLU A 88 6.628 16.993 -3.602 1.00 41.51 O ATOM 1255 OE2 GLU A 88 8.119 18.548 -3.930 1.00 20.02 O ATOM 0 H GLU A 88 3.361 19.623 -1.152 1.00 60.14 H new ATOM 0 HA GLU A 88 4.884 17.391 -1.834 1.00 24.14 H new ATOM 0 HB2 GLU A 88 5.233 20.325 -1.517 1.00 35.21 H new ATOM 0 HB3 GLU A 88 6.710 19.412 -1.280 1.00 35.21 H new ATOM 0 HG2 GLU A 88 4.940 18.997 -3.723 1.00 41.23 H new ATOM 0 HG3 GLU A 88 6.190 20.225 -3.681 1.00 41.23 H new ATOM 1260 N ASN A 89 5.172 18.245 1.319 1.00 62.30 N ATOM 1261 CA ASN A 89 5.803 17.977 2.609 1.00 64.00 C ATOM 1262 C ASN A 89 5.391 16.629 3.213 1.00 60.02 C ATOM 1263 O ASN A 89 5.666 16.401 4.393 1.00 55.31 O ATOM 1264 CB ASN A 89 5.538 19.116 3.615 1.00 32.44 C ATOM 1265 CG ASN A 89 5.731 20.517 3.062 1.00 63.00 C ATOM 1266 OD1 ASN A 89 4.879 21.389 3.254 1.00 22.41 O ATOM 1267 ND2 ASN A 89 6.805 20.783 2.335 1.00 64.02 N ATOM 0 H ASN A 89 4.380 18.884 1.385 1.00 62.30 H new ATOM 0 HA ASN A 89 6.873 17.924 2.409 1.00 64.00 H new ATOM 0 HB2 ASN A 89 4.516 19.025 3.984 1.00 32.44 H new ATOM 0 HB3 ASN A 89 6.199 18.985 4.472 1.00 32.44 H new ATOM 0 HD21 ASN A 89 6.931 21.711 1.931 1.00 64.02 H new ATOM 0 HD22 ASN A 89 7.507 20.060 2.179 1.00 64.02 H new ATOM 1273 N ASN A 90 4.730 15.729 2.472 1.00 60.31 N ATOM 1274 CA ASN A 90 4.450 14.373 2.950 1.00 40.14 C ATOM 1275 C ASN A 90 5.339 13.342 2.262 1.00 31.34 C ATOM 1276 O ASN A 90 4.913 12.716 1.291 1.00 0.31 O ATOM 1277 CB ASN A 90 2.982 13.982 2.792 1.00 1.32 C ATOM 1278 CG ASN A 90 2.690 12.642 3.453 1.00 13.23 C ATOM 1279 OD1 ASN A 90 3.513 12.068 4.167 1.00 72.44 O ATOM 1280 ND2 ASN A 90 1.493 12.144 3.261 1.00 71.12 N ATOM 0 H ASN A 90 4.378 15.920 1.534 1.00 60.31 H new ATOM 0 HA ASN A 90 4.677 14.380 4.016 1.00 40.14 H new ATOM 0 HB2 ASN A 90 2.349 14.752 3.233 1.00 1.32 H new ATOM 0 HB3 ASN A 90 2.730 13.930 1.733 1.00 1.32 H new ATOM 0 HD21 ASN A 90 1.229 11.265 3.707 1.00 71.12 H new ATOM 0 HD22 ASN A 90 0.826 12.635 2.666 1.00 71.12 H new ATOM 1286 N PRO A 91 6.561 13.108 2.758 1.00 60.31 N ATOM 1287 CA PRO A 91 7.444 12.083 2.219 1.00 11.31 C ATOM 1288 C PRO A 91 6.958 10.667 2.552 1.00 40.22 C ATOM 1289 O PRO A 91 7.312 9.732 1.838 1.00 71.00 O ATOM 1290 CB PRO A 91 8.798 12.369 2.875 1.00 32.43 C ATOM 1291 CG PRO A 91 8.407 12.953 4.231 1.00 41.51 C ATOM 1292 CD PRO A 91 7.173 13.769 3.900 1.00 55.31 C ATOM 0 HA PRO A 91 7.486 12.118 1.130 1.00 11.31 H new ATOM 0 HB2 PRO A 91 9.394 11.463 2.983 1.00 32.43 H new ATOM 0 HB3 PRO A 91 9.390 13.072 2.289 1.00 32.43 H new ATOM 0 HG2 PRO A 91 8.192 12.173 4.961 1.00 41.51 H new ATOM 0 HG3 PRO A 91 9.201 13.571 4.650 1.00 41.51 H new ATOM 0 HD2 PRO A 91 6.487 13.803 4.747 1.00 55.31 H new ATOM 0 HD3 PRO A 91 7.437 14.799 3.661 1.00 55.31 H new ATOM 1297 N THR A 92 6.158 10.489 3.608 1.00 32.14 N ATOM 1298 CA THR A 92 5.739 9.189 4.105 1.00 20.45 C ATOM 1299 C THR A 92 4.915 8.503 3.028 1.00 52.11 C ATOM 1300 O THR A 92 5.317 7.462 2.504 1.00 41.13 O ATOM 1301 CB THR A 92 4.981 9.392 5.426 1.00 13.21 C ATOM 1302 OG1 THR A 92 5.840 10.037 6.346 1.00 40.30 O ATOM 1303 CG2 THR A 92 4.406 8.107 6.009 1.00 3.43 C ATOM 0 H THR A 92 5.779 11.267 4.148 1.00 32.14 H new ATOM 0 HA THR A 92 6.586 8.537 4.321 1.00 20.45 H new ATOM 0 HB THR A 92 4.112 10.016 5.218 1.00 13.21 H new ATOM 0 HG1 THR A 92 5.368 10.174 7.194 1.00 40.30 H new ATOM 0 HG21 THR A 92 3.886 8.331 6.940 1.00 3.43 H new ATOM 0 HG22 THR A 92 3.706 7.667 5.299 1.00 3.43 H new ATOM 0 HG23 THR A 92 5.215 7.403 6.205 1.00 3.43 H new ATOM 1311 N ALA A 93 3.792 9.119 2.656 1.00 61.40 N ATOM 1312 CA ALA A 93 2.960 8.620 1.581 1.00 21.32 C ATOM 1313 C ALA A 93 3.754 8.522 0.283 1.00 13.31 C ATOM 1314 O ALA A 93 3.631 7.540 -0.439 1.00 75.33 O ATOM 1315 CB ALA A 93 1.802 9.570 1.389 1.00 35.31 C ATOM 0 H ALA A 93 3.443 9.972 3.093 1.00 61.40 H new ATOM 0 HA ALA A 93 2.600 7.624 1.840 1.00 21.32 H new ATOM 0 HB1 ALA A 93 1.165 9.208 0.582 1.00 35.31 H new ATOM 0 HB2 ALA A 93 1.223 9.628 2.310 1.00 35.31 H new ATOM 0 HB3 ALA A 93 2.182 10.560 1.136 1.00 35.31 H new ATOM 1321 N LYS A 94 4.588 9.524 -0.004 1.00 24.23 N ATOM 1322 CA LYS A 94 5.391 9.557 -1.223 1.00 42.50 C ATOM 1323 C LYS A 94 6.185 8.267 -1.444 1.00 1.12 C ATOM 1324 O LYS A 94 6.025 7.616 -2.479 1.00 15.35 O ATOM 1325 CB LYS A 94 6.273 10.813 -1.200 1.00 75.00 C ATOM 1326 CG LYS A 94 6.374 11.499 -2.563 1.00 55.44 C ATOM 1327 CD LYS A 94 6.186 13.018 -2.474 1.00 74.10 C ATOM 1328 CE LYS A 94 7.393 13.646 -1.756 1.00 15.24 C ATOM 1329 NZ LYS A 94 7.413 15.125 -1.801 1.00 75.24 N ATOM 0 H LYS A 94 4.724 10.333 0.602 1.00 24.23 H new ATOM 0 HA LYS A 94 4.727 9.614 -2.085 1.00 42.50 H new ATOM 0 HB2 LYS A 94 5.871 11.519 -0.473 1.00 75.00 H new ATOM 0 HB3 LYS A 94 7.273 10.542 -0.861 1.00 75.00 H new ATOM 0 HG2 LYS A 94 7.347 11.282 -3.003 1.00 55.44 H new ATOM 0 HG3 LYS A 94 5.621 11.082 -3.232 1.00 55.44 H new ATOM 0 HD2 LYS A 94 6.084 13.441 -3.473 1.00 74.10 H new ATOM 0 HD3 LYS A 94 5.268 13.250 -1.934 1.00 74.10 H new ATOM 0 HE2 LYS A 94 7.392 13.324 -0.715 1.00 15.24 H new ATOM 0 HE3 LYS A 94 8.310 13.266 -2.207 1.00 15.24 H new ATOM 0 HZ1 LYS A 94 8.393 15.462 -1.716 1.00 75.24 H new ATOM 0 HZ2 LYS A 94 7.012 15.450 -2.704 1.00 75.24 H new ATOM 0 HZ3 LYS A 94 6.847 15.504 -1.015 1.00 75.24 H new ATOM 1339 N TYR A 95 7.026 7.879 -0.482 1.00 4.12 N ATOM 1340 CA TYR A 95 7.816 6.658 -0.601 1.00 44.41 C ATOM 1341 C TYR A 95 6.914 5.418 -0.601 1.00 44.54 C ATOM 1342 O TYR A 95 7.148 4.507 -1.392 1.00 4.12 O ATOM 1343 CB TYR A 95 8.865 6.583 0.516 1.00 41.33 C ATOM 1344 CG TYR A 95 9.943 7.657 0.474 1.00 3.25 C ATOM 1345 CD1 TYR A 95 10.818 7.769 -0.628 1.00 33.11 C ATOM 1346 CD2 TYR A 95 10.101 8.523 1.573 1.00 13.54 C ATOM 1347 CE1 TYR A 95 11.826 8.756 -0.628 1.00 14.35 C ATOM 1348 CE2 TYR A 95 11.124 9.484 1.594 1.00 33.14 C ATOM 1349 CZ TYR A 95 11.999 9.604 0.495 1.00 64.43 C ATOM 1350 OH TYR A 95 12.996 10.535 0.517 1.00 35.23 O ATOM 0 H TYR A 95 7.175 8.394 0.386 1.00 4.12 H new ATOM 0 HA TYR A 95 8.342 6.682 -1.556 1.00 44.41 H new ATOM 0 HB2 TYR A 95 8.353 6.644 1.476 1.00 41.33 H new ATOM 0 HB3 TYR A 95 9.347 5.606 0.473 1.00 41.33 H new ATOM 0 HD1 TYR A 95 10.716 7.100 -1.470 1.00 33.11 H new ATOM 0 HD2 TYR A 95 9.425 8.447 2.412 1.00 13.54 H new ATOM 0 HE1 TYR A 95 12.470 8.866 -1.488 1.00 14.35 H new ATOM 0 HE2 TYR A 95 11.241 10.131 2.451 1.00 33.14 H new ATOM 0 HH TYR A 95 12.965 11.028 1.364 1.00 35.23 H new ATOM 1359 N ARG A 96 5.879 5.366 0.246 1.00 42.41 N ATOM 1360 CA ARG A 96 4.914 4.269 0.315 1.00 44.21 C ATOM 1361 C ARG A 96 4.264 3.974 -1.025 1.00 31.34 C ATOM 1362 O ARG A 96 4.303 2.839 -1.481 1.00 72.24 O ATOM 1363 CB ARG A 96 3.826 4.622 1.333 1.00 41.32 C ATOM 1364 CG ARG A 96 4.353 4.436 2.743 1.00 20.42 C ATOM 1365 CD ARG A 96 3.274 4.768 3.768 1.00 31.23 C ATOM 1366 NE ARG A 96 3.626 4.279 5.107 1.00 71.44 N ATOM 1367 CZ ARG A 96 2.855 4.398 6.191 1.00 25.45 C ATOM 1368 NH1 ARG A 96 1.717 5.080 6.147 1.00 2.45 N ATOM 1369 NH2 ARG A 96 3.247 3.826 7.319 1.00 53.23 N ATOM 0 H ARG A 96 5.687 6.108 0.920 1.00 42.41 H new ATOM 0 HA ARG A 96 5.459 3.374 0.616 1.00 44.21 H new ATOM 0 HB2 ARG A 96 3.504 5.653 1.190 1.00 41.32 H new ATOM 0 HB3 ARG A 96 2.952 3.990 1.177 1.00 41.32 H new ATOM 0 HG2 ARG A 96 4.687 3.408 2.879 1.00 20.42 H new ATOM 0 HG3 ARG A 96 5.221 5.077 2.900 1.00 20.42 H new ATOM 0 HD2 ARG A 96 3.125 5.847 3.803 1.00 31.23 H new ATOM 0 HD3 ARG A 96 2.328 4.325 3.456 1.00 31.23 H new ATOM 0 HE ARG A 96 4.527 3.814 5.218 1.00 71.44 H new ATOM 0 HH11 ARG A 96 1.421 5.522 5.277 1.00 2.45 H new ATOM 0 HH12 ARG A 96 1.139 5.162 6.983 1.00 2.45 H new ATOM 0 HH21 ARG A 96 4.124 3.306 7.349 1.00 53.23 H new ATOM 0 HH22 ARG A 96 2.672 3.905 8.158 1.00 53.23 H new ATOM 1380 N ALA A 97 3.665 4.984 -1.635 1.00 52.42 N ATOM 1381 CA ALA A 97 3.015 4.905 -2.932 1.00 41.44 C ATOM 1382 C ALA A 97 3.991 4.316 -3.932 1.00 21.14 C ATOM 1383 O ALA A 97 3.694 3.310 -4.565 1.00 51.24 O ATOM 1384 CB ALA A 97 2.610 6.302 -3.391 1.00 2.51 C ATOM 0 H ALA A 97 3.617 5.916 -1.224 1.00 52.42 H new ATOM 0 HA ALA A 97 2.126 4.278 -2.859 1.00 41.44 H new ATOM 0 HB1 ALA A 97 2.123 6.238 -4.364 1.00 2.51 H new ATOM 0 HB2 ALA A 97 1.920 6.737 -2.668 1.00 2.51 H new ATOM 0 HB3 ALA A 97 3.497 6.931 -3.470 1.00 2.51 H new ATOM 1390 N ARG A 98 5.174 4.926 -4.038 1.00 44.40 N ATOM 1391 CA ARG A 98 6.194 4.481 -4.970 1.00 64.04 C ATOM 1392 C ARG A 98 6.592 3.028 -4.743 1.00 31.11 C ATOM 1393 O ARG A 98 6.840 2.303 -5.702 1.00 11.14 O ATOM 1394 CB ARG A 98 7.416 5.393 -4.865 1.00 52.42 C ATOM 1395 CG ARG A 98 7.385 6.512 -5.908 1.00 32.33 C ATOM 1396 CD ARG A 98 8.461 7.528 -5.532 1.00 20.41 C ATOM 1397 NE ARG A 98 9.003 8.234 -6.704 1.00 32.42 N ATOM 1398 CZ ARG A 98 10.227 8.092 -7.219 1.00 4.13 C ATOM 1399 NH1 ARG A 98 10.977 7.048 -6.868 1.00 63.32 N ATOM 1400 NH2 ARG A 98 10.702 9.008 -8.049 1.00 62.34 N ATOM 0 H ARG A 98 5.444 5.737 -3.481 1.00 44.40 H new ATOM 0 HA ARG A 98 5.776 4.540 -5.975 1.00 64.04 H new ATOM 0 HB2 ARG A 98 7.459 5.829 -3.867 1.00 52.42 H new ATOM 0 HB3 ARG A 98 8.322 4.802 -4.994 1.00 52.42 H new ATOM 0 HG2 ARG A 98 7.569 6.111 -6.905 1.00 32.33 H new ATOM 0 HG3 ARG A 98 6.404 6.986 -5.932 1.00 32.33 H new ATOM 0 HD2 ARG A 98 8.043 8.255 -4.835 1.00 20.41 H new ATOM 0 HD3 ARG A 98 9.272 7.018 -5.012 1.00 20.41 H new ATOM 0 HE ARG A 98 8.383 8.897 -7.169 1.00 32.42 H new ATOM 0 HH11 ARG A 98 10.616 6.360 -6.208 1.00 63.32 H new ATOM 0 HH12 ARG A 98 11.912 6.937 -7.260 1.00 63.32 H new ATOM 0 HH21 ARG A 98 10.133 9.819 -8.293 1.00 62.34 H new ATOM 0 HH22 ARG A 98 11.636 8.903 -8.444 1.00 62.34 H new ATOM 1411 N LEU A 99 6.683 2.609 -3.483 1.00 2.13 N ATOM 1412 CA LEU A 99 6.964 1.234 -3.114 1.00 61.10 C ATOM 1413 C LEU A 99 5.868 0.332 -3.685 1.00 2.33 C ATOM 1414 O LEU A 99 6.165 -0.520 -4.510 1.00 42.30 O ATOM 1415 CB LEU A 99 7.148 1.158 -1.588 1.00 73.41 C ATOM 1416 CG LEU A 99 7.400 -0.230 -0.980 1.00 3.22 C ATOM 1417 CD1 LEU A 99 8.420 -1.063 -1.741 1.00 43.51 C ATOM 1418 CD2 LEU A 99 7.941 -0.015 0.440 1.00 11.45 C ATOM 0 H LEU A 99 6.561 3.228 -2.682 1.00 2.13 H new ATOM 0 HA LEU A 99 7.897 0.870 -3.544 1.00 61.10 H new ATOM 0 HB2 LEU A 99 7.984 1.803 -1.316 1.00 73.41 H new ATOM 0 HB3 LEU A 99 6.257 1.576 -1.119 1.00 73.41 H new ATOM 0 HG LEU A 99 6.456 -0.775 -1.012 1.00 3.22 H new ATOM 0 HD11 LEU A 99 8.542 -2.028 -1.249 1.00 43.51 H new ATOM 0 HD12 LEU A 99 8.074 -1.218 -2.763 1.00 43.51 H new ATOM 0 HD13 LEU A 99 9.377 -0.541 -1.757 1.00 43.51 H new ATOM 0 HD21 LEU A 99 8.133 -0.981 0.906 1.00 11.45 H new ATOM 0 HD22 LEU A 99 8.868 0.556 0.393 1.00 11.45 H new ATOM 0 HD23 LEU A 99 7.207 0.533 1.030 1.00 11.45 H new ATOM 1429 N MET A 100 4.607 0.564 -3.315 1.00 22.11 N ATOM 1430 CA MET A 100 3.457 -0.197 -3.813 1.00 52.23 C ATOM 1431 C MET A 100 3.409 -0.236 -5.350 1.00 21.24 C ATOM 1432 O MET A 100 3.264 -1.308 -5.931 1.00 14.45 O ATOM 1433 CB MET A 100 2.145 0.356 -3.231 1.00 55.31 C ATOM 1434 CG MET A 100 2.062 0.377 -1.698 1.00 73.31 C ATOM 1435 SD MET A 100 2.699 -1.079 -0.820 1.00 3.34 S ATOM 1436 CE MET A 100 1.156 -1.697 -0.111 1.00 1.43 C ATOM 0 H MET A 100 4.351 1.296 -2.652 1.00 22.11 H new ATOM 0 HA MET A 100 3.577 -1.226 -3.474 1.00 52.23 H new ATOM 0 HB2 MET A 100 2.004 1.372 -3.600 1.00 55.31 H new ATOM 0 HB3 MET A 100 1.317 -0.240 -3.615 1.00 55.31 H new ATOM 0 HG2 MET A 100 2.604 1.252 -1.341 1.00 73.31 H new ATOM 0 HG3 MET A 100 1.018 0.513 -1.417 1.00 73.31 H new ATOM 0 HE1 MET A 100 1.357 -2.598 0.468 1.00 1.43 H new ATOM 0 HE2 MET A 100 0.724 -0.936 0.539 1.00 1.43 H new ATOM 0 HE3 MET A 100 0.455 -1.930 -0.912 1.00 1.43 H new ATOM 1444 N LYS A 101 3.605 0.904 -6.010 1.00 44.40 N ATOM 1445 CA LYS A 101 3.693 1.041 -7.461 1.00 62.14 C ATOM 1446 C LYS A 101 4.671 0.033 -8.056 1.00 1.23 C ATOM 1447 O LYS A 101 4.292 -0.809 -8.865 1.00 35.34 O ATOM 1448 CB LYS A 101 4.073 2.485 -7.766 1.00 15.51 C ATOM 1449 CG LYS A 101 4.114 2.800 -9.264 1.00 20.11 C ATOM 1450 CD LYS A 101 4.014 4.318 -9.411 1.00 15.34 C ATOM 1451 CE LYS A 101 4.843 4.843 -10.577 1.00 64.34 C ATOM 1452 NZ LYS A 101 4.718 6.308 -10.676 1.00 1.23 N ATOM 0 H LYS A 101 3.711 1.796 -5.526 1.00 44.40 H new ATOM 0 HA LYS A 101 2.733 0.818 -7.927 1.00 62.14 H new ATOM 0 HB2 LYS A 101 3.359 3.151 -7.282 1.00 15.51 H new ATOM 0 HB3 LYS A 101 5.050 2.695 -7.331 1.00 15.51 H new ATOM 0 HG2 LYS A 101 5.038 2.431 -9.709 1.00 20.11 H new ATOM 0 HG3 LYS A 101 3.291 2.308 -9.783 1.00 20.11 H new ATOM 0 HD2 LYS A 101 2.971 4.599 -9.555 1.00 15.34 H new ATOM 0 HD3 LYS A 101 4.348 4.793 -8.488 1.00 15.34 H new ATOM 0 HE2 LYS A 101 5.889 4.569 -10.440 1.00 64.34 H new ATOM 0 HE3 LYS A 101 4.511 4.379 -11.506 1.00 64.34 H new ATOM 0 HZ1 LYS A 101 5.288 6.652 -11.475 1.00 1.23 H new ATOM 0 HZ2 LYS A 101 3.721 6.562 -10.828 1.00 1.23 H new ATOM 0 HZ3 LYS A 101 5.057 6.746 -9.795 1.00 1.23 H new ATOM 1462 N LYS A 102 5.925 0.100 -7.614 1.00 4.14 N ATOM 1463 CA LYS A 102 6.999 -0.779 -8.077 1.00 54.51 C ATOM 1464 C LYS A 102 6.705 -2.245 -7.801 1.00 44.52 C ATOM 1465 O LYS A 102 7.294 -3.122 -8.432 1.00 12.42 O ATOM 1466 CB LYS A 102 8.303 -0.392 -7.374 1.00 62.34 C ATOM 1467 CG LYS A 102 9.547 -0.763 -8.194 1.00 34.45 C ATOM 1468 CD LYS A 102 10.770 -0.021 -7.648 1.00 51.34 C ATOM 1469 CE LYS A 102 12.024 -0.469 -8.396 1.00 42.23 C ATOM 1470 NZ LYS A 102 13.225 0.286 -7.975 1.00 74.32 N ATOM 0 H LYS A 102 6.229 0.776 -6.914 1.00 4.14 H new ATOM 0 HA LYS A 102 7.084 -0.654 -9.156 1.00 54.51 H new ATOM 0 HB2 LYS A 102 8.304 0.681 -7.184 1.00 62.34 H new ATOM 0 HB3 LYS A 102 8.350 -0.888 -6.404 1.00 62.34 H new ATOM 0 HG2 LYS A 102 9.714 -1.839 -8.151 1.00 34.45 H new ATOM 0 HG3 LYS A 102 9.393 -0.506 -9.242 1.00 34.45 H new ATOM 0 HD2 LYS A 102 10.634 1.055 -7.760 1.00 51.34 H new ATOM 0 HD3 LYS A 102 10.881 -0.219 -6.582 1.00 51.34 H new ATOM 0 HE2 LYS A 102 12.187 -1.533 -8.224 1.00 42.23 H new ATOM 0 HE3 LYS A 102 11.872 -0.339 -9.467 1.00 42.23 H new ATOM 0 HZ1 LYS A 102 14.052 -0.051 -8.508 1.00 74.32 H new ATOM 0 HZ2 LYS A 102 13.082 1.299 -8.162 1.00 74.32 H new ATOM 0 HZ3 LYS A 102 13.387 0.142 -6.958 1.00 74.32 H new ATOM 1480 N ILE A 103 5.860 -2.544 -6.821 1.00 34.05 N ATOM 1481 CA ILE A 103 5.546 -3.915 -6.487 1.00 1.25 C ATOM 1482 C ILE A 103 4.653 -4.499 -7.589 1.00 32.02 C ATOM 1483 O ILE A 103 4.921 -5.610 -8.042 1.00 74.31 O ATOM 1484 CB ILE A 103 5.018 -3.990 -5.035 1.00 15.45 C ATOM 1485 CG1 ILE A 103 6.188 -3.723 -4.060 1.00 55.11 C ATOM 1486 CG2 ILE A 103 4.392 -5.352 -4.740 1.00 61.14 C ATOM 1487 CD1 ILE A 103 5.778 -3.414 -2.622 1.00 2.34 C ATOM 0 H ILE A 103 5.383 -1.849 -6.247 1.00 34.05 H new ATOM 0 HA ILE A 103 6.424 -4.561 -6.474 1.00 1.25 H new ATOM 0 HB ILE A 103 4.243 -3.235 -4.905 1.00 15.45 H new ATOM 0 HG12 ILE A 103 6.842 -4.595 -4.055 1.00 55.11 H new ATOM 0 HG13 ILE A 103 6.774 -2.887 -4.441 1.00 55.11 H new ATOM 0 HG21 ILE A 103 4.031 -5.371 -3.712 1.00 61.14 H new ATOM 0 HG22 ILE A 103 3.558 -5.524 -5.421 1.00 61.14 H new ATOM 0 HG23 ILE A 103 5.140 -6.133 -4.877 1.00 61.14 H new ATOM 0 HD11 ILE A 103 6.669 -3.242 -2.018 1.00 2.34 H new ATOM 0 HD12 ILE A 103 5.151 -2.522 -2.606 1.00 2.34 H new ATOM 0 HD13 ILE A 103 5.220 -4.257 -2.214 1.00 2.34 H new ATOM 1498 N ALA A 104 3.656 -3.761 -8.086 1.00 2.14 N ATOM 1499 CA ALA A 104 2.833 -4.214 -9.207 1.00 71.00 C ATOM 1500 C ALA A 104 3.622 -4.318 -10.519 1.00 4.22 C ATOM 1501 O ALA A 104 3.262 -5.095 -11.403 1.00 21.31 O ATOM 1502 CB ALA A 104 1.654 -3.257 -9.381 1.00 4.34 C ATOM 0 H ALA A 104 3.400 -2.842 -7.726 1.00 2.14 H new ATOM 0 HA ALA A 104 2.480 -5.218 -8.973 1.00 71.00 H new ATOM 0 HB1 ALA A 104 1.036 -3.589 -10.215 1.00 4.34 H new ATOM 0 HB2 ALA A 104 1.057 -3.246 -8.469 1.00 4.34 H new ATOM 0 HB3 ALA A 104 2.027 -2.253 -9.583 1.00 4.34 H new ATOM 1508 N ASP A 105 4.726 -3.581 -10.641 1.00 52.22 N ATOM 1509 CA ASP A 105 5.564 -3.596 -11.843 1.00 22.43 C ATOM 1510 C ASP A 105 6.324 -4.915 -11.944 1.00 2.41 C ATOM 1511 O ASP A 105 6.788 -5.285 -13.018 1.00 1.12 O ATOM 1512 CB ASP A 105 6.584 -2.445 -11.828 1.00 40.33 C ATOM 1513 CG ASP A 105 6.102 -1.213 -12.582 1.00 1.13 C ATOM 1514 OD1 ASP A 105 5.665 -1.330 -13.753 1.00 53.40 O ATOM 1515 OD2 ASP A 105 6.210 -0.091 -12.035 1.00 43.34 O ATOM 0 H ASP A 105 5.066 -2.956 -9.910 1.00 52.22 H new ATOM 0 HA ASP A 105 4.902 -3.477 -12.701 1.00 22.43 H new ATOM 0 HB2 ASP A 105 6.799 -2.171 -10.795 1.00 40.33 H new ATOM 0 HB3 ASP A 105 7.520 -2.790 -12.268 1.00 40.33 H new ATOM 1519 N LEU A 106 6.481 -5.623 -10.828 1.00 60.41 N ATOM 1520 CA LEU A 106 7.313 -6.811 -10.684 1.00 74.12 C ATOM 1521 C LEU A 106 6.473 -8.021 -10.300 1.00 35.24 C ATOM 1522 O LEU A 106 7.040 -9.039 -9.892 1.00 41.35 O ATOM 1523 CB LEU A 106 8.407 -6.506 -9.648 1.00 41.25 C ATOM 1524 CG LEU A 106 9.493 -5.517 -10.105 1.00 63.04 C ATOM 1525 CD1 LEU A 106 10.273 -5.016 -8.889 1.00 4.14 C ATOM 1526 CD2 LEU A 106 10.486 -6.168 -11.065 1.00 2.30 C ATOM 0 H LEU A 106 6.009 -5.371 -9.960 1.00 60.41 H new ATOM 0 HA LEU A 106 7.785 -7.062 -11.634 1.00 74.12 H new ATOM 0 HB2 LEU A 106 7.933 -6.109 -8.750 1.00 41.25 H new ATOM 0 HB3 LEU A 106 8.888 -7.443 -9.367 1.00 41.25 H new ATOM 0 HG LEU A 106 8.990 -4.697 -10.618 1.00 63.04 H new ATOM 0 HD11 LEU A 106 11.042 -4.315 -9.214 1.00 4.14 H new ATOM 0 HD12 LEU A 106 9.592 -4.514 -8.201 1.00 4.14 H new ATOM 0 HD13 LEU A 106 10.741 -5.861 -8.384 1.00 4.14 H new ATOM 0 HD21 LEU A 106 11.236 -5.436 -11.364 1.00 2.30 H new ATOM 0 HD22 LEU A 106 10.975 -7.007 -10.569 1.00 2.30 H new ATOM 0 HD23 LEU A 106 9.957 -6.526 -11.948 1.00 2.30 H new ATOM 1537 N TRP A 107 5.148 -7.903 -10.424 1.00 21.14 N ATOM 1538 CA TRP A 107 4.208 -8.879 -9.916 1.00 42.55 C ATOM 1539 C TRP A 107 4.499 -10.252 -10.503 1.00 35.14 C ATOM 1540 O TRP A 107 4.795 -10.374 -11.709 1.00 22.13 O ATOM 1541 CB TRP A 107 2.757 -8.401 -10.123 1.00 53.43 C ATOM 1542 CG TRP A 107 1.755 -8.955 -9.152 1.00 62.03 C ATOM 1543 CD1 TRP A 107 0.617 -9.629 -9.445 1.00 74.44 C ATOM 1544 CD2 TRP A 107 1.737 -8.777 -7.705 1.00 74.30 C ATOM 1545 NE1 TRP A 107 -0.024 -9.992 -8.279 1.00 74.20 N ATOM 1546 CE2 TRP A 107 0.592 -9.444 -7.180 1.00 20.44 C ATOM 1547 CE3 TRP A 107 2.543 -8.068 -6.788 1.00 41.31 C ATOM 1548 CZ2 TRP A 107 0.267 -9.419 -5.819 1.00 21.43 C ATOM 1549 CZ3 TRP A 107 2.220 -8.039 -5.414 1.00 32.31 C ATOM 1550 CH2 TRP A 107 1.081 -8.705 -4.929 1.00 3.21 C ATOM 0 H TRP A 107 4.702 -7.112 -10.888 1.00 21.14 H new ATOM 0 HA TRP A 107 4.332 -8.980 -8.838 1.00 42.55 H new ATOM 0 HB2 TRP A 107 2.738 -7.313 -10.059 1.00 53.43 H new ATOM 0 HB3 TRP A 107 2.445 -8.666 -11.133 1.00 53.43 H new ATOM 0 HD1 TRP A 107 0.265 -9.849 -10.442 1.00 74.44 H new ATOM 0 HE1 TRP A 107 -0.849 -10.590 -8.238 1.00 74.20 H new ATOM 0 HE3 TRP A 107 3.417 -7.542 -7.142 1.00 41.31 H new ATOM 0 HZ2 TRP A 107 -0.604 -9.946 -5.457 1.00 21.43 H new ATOM 0 HZ3 TRP A 107 2.855 -7.499 -4.728 1.00 32.31 H new ATOM 0 HH2 TRP A 107 0.835 -8.667 -3.878 1.00 3.21 H new TER 1560 TRP A 107