USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 851 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 34 TYR OH : rot 30:sc= -1.41! USER MOD Set 1.2: A 88 ASN : amide:sc= 0.412 K(o=-1,f=-3.4) USER MOD Single : A 1 ARG N :NH3+ 158:sc= -0.242 (180deg=-1.23!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 5 HIS : no HD1:sc=0.000894 X(o=0.00089,f=-0.28) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 8 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.57) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 11 SER OG : rot 180:sc= 0.449 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 20 GLN : amide:sc=-0.00193 X(o=-0.0019,f=-0.0019) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 90:sc= -0.141 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 19:sc= 0.723 USER MOD Single : A 48 GLN : amide:sc= -3.84 X(o=-3.8,f=-4.1!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.52 F(o=-1.1,f=-0.52) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= -0.0107 (180deg=-1.04) USER MOD Single : A 62 ASN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= -2.23 (180deg=-5.01!) USER MOD Single : A 68 SER OG : rot 180:sc=0.000384 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.153 F(o=-1.4,f=-0.15) USER MOD Single : A 81 MET CE :methyl 154:sc= -2.44 (180deg=-4.74!) USER MOD Single : A 82 SER OG : rot 120:sc= -5.29! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -127:sc= -1.86! (180deg=-6.92!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -37.235 7.866 0.934 1.00 0.00 N ATOM 2 CA ARG A 1 -36.040 8.664 0.541 1.00 0.00 C ATOM 3 C ARG A 1 -34.809 8.138 1.283 1.00 0.00 C ATOM 4 O ARG A 1 -34.830 7.947 2.482 1.00 0.00 O ATOM 5 CB ARG A 1 -36.265 10.133 0.906 1.00 0.00 C ATOM 6 CG ARG A 1 -36.562 10.248 2.403 1.00 0.00 C ATOM 7 CD ARG A 1 -37.075 11.654 2.715 1.00 0.00 C ATOM 8 NE ARG A 1 -36.092 12.661 2.225 1.00 0.00 N ATOM 9 CZ ARG A 1 -35.902 13.767 2.892 1.00 0.00 C ATOM 10 NH1 ARG A 1 -36.925 14.459 3.312 1.00 0.00 N ATOM 11 NH2 ARG A 1 -34.689 14.179 3.139 1.00 0.00 N ATOM 0 H1 ARG A 1 -38.097 8.418 0.749 1.00 0.00 H new ATOM 0 H2 ARG A 1 -37.262 6.986 0.381 1.00 0.00 H new ATOM 0 H3 ARG A 1 -37.182 7.637 1.947 1.00 0.00 H new ATOM 0 HA ARG A 1 -35.882 8.576 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -35.382 10.721 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -37.095 10.539 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -37.304 9.505 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -35.661 10.042 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -38.043 11.813 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -37.225 11.768 3.789 1.00 0.00 H new ATOM 0 HE ARG A 1 -35.567 12.486 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -37.873 14.136 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -36.777 15.323 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -33.890 13.637 2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -34.540 15.043 3.660 1.00 0.00 H new ATOM 27 N GLY A 2 -33.736 7.903 0.578 1.00 0.00 N ATOM 28 CA GLY A 2 -32.506 7.390 1.243 1.00 0.00 C ATOM 29 C GLY A 2 -31.277 7.803 0.430 1.00 0.00 C ATOM 30 O GLY A 2 -31.390 8.399 -0.623 1.00 0.00 O ATOM 0 H GLY A 2 -33.659 8.044 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -32.435 7.786 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -32.551 6.304 1.328 1.00 0.00 H new ATOM 34 N SER A 3 -30.105 7.491 0.909 1.00 0.00 N ATOM 35 CA SER A 3 -28.871 7.867 0.162 1.00 0.00 C ATOM 36 C SER A 3 -27.880 6.702 0.196 1.00 0.00 C ATOM 37 O SER A 3 -27.916 5.868 1.078 1.00 0.00 O ATOM 38 CB SER A 3 -28.236 9.097 0.811 1.00 0.00 C ATOM 39 OG SER A 3 -29.164 10.172 0.799 1.00 0.00 O ATOM 0 H SER A 3 -29.948 6.992 1.785 1.00 0.00 H new ATOM 0 HA SER A 3 -29.128 8.095 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.941 8.869 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.331 9.378 0.273 1.00 0.00 H new ATOM 0 HG SER A 3 -28.757 10.960 1.217 1.00 0.00 H new ATOM 45 N HIS A 4 -26.991 6.641 -0.759 1.00 0.00 N ATOM 46 CA HIS A 4 -25.997 5.530 -0.780 1.00 0.00 C ATOM 47 C HIS A 4 -24.601 6.093 -0.504 1.00 0.00 C ATOM 48 O HIS A 4 -24.406 7.290 -0.430 1.00 0.00 O ATOM 49 CB HIS A 4 -26.013 4.857 -2.153 1.00 0.00 C ATOM 50 CG HIS A 4 -27.289 4.077 -2.315 1.00 0.00 C ATOM 51 ND1 HIS A 4 -28.488 4.684 -2.654 1.00 0.00 N ATOM 52 CD2 HIS A 4 -27.569 2.739 -2.187 1.00 0.00 C ATOM 53 CE1 HIS A 4 -29.426 3.721 -2.718 1.00 0.00 C ATOM 54 NE2 HIS A 4 -28.919 2.517 -2.441 1.00 0.00 N ATOM 0 H HIS A 4 -26.910 7.311 -1.524 1.00 0.00 H new ATOM 0 HA HIS A 4 -26.253 4.798 -0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -25.931 5.608 -2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -25.154 4.194 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -26.851 1.975 -1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -30.462 3.900 -2.963 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -29.415 1.626 -2.420 1.00 0.00 H new ATOM 62 N HIS A 5 -23.626 5.238 -0.351 1.00 0.00 N ATOM 63 CA HIS A 5 -22.244 5.726 -0.079 1.00 0.00 C ATOM 64 C HIS A 5 -21.703 6.439 -1.321 1.00 0.00 C ATOM 65 O HIS A 5 -22.107 6.163 -2.433 1.00 0.00 O ATOM 66 CB HIS A 5 -21.341 4.539 0.260 1.00 0.00 C ATOM 67 CG HIS A 5 -21.858 3.853 1.494 1.00 0.00 C ATOM 68 ND1 HIS A 5 -22.738 2.783 1.433 1.00 0.00 N ATOM 69 CD2 HIS A 5 -21.627 4.072 2.831 1.00 0.00 C ATOM 70 CE1 HIS A 5 -23.003 2.403 2.696 1.00 0.00 C ATOM 71 NE2 HIS A 5 -22.351 3.155 3.587 1.00 0.00 N ATOM 0 H HIS A 5 -23.727 4.224 -0.403 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.262 6.420 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.315 3.838 -0.575 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -20.319 4.881 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.982 4.839 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -23.663 1.589 2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.378 3.074 4.603 1.00 0.00 H new ATOM 79 N HIS A 6 -20.790 7.355 -1.139 1.00 0.00 N ATOM 80 CA HIS A 6 -20.224 8.084 -2.310 1.00 0.00 C ATOM 81 C HIS A 6 -18.978 7.351 -2.811 1.00 0.00 C ATOM 82 O HIS A 6 -18.181 6.859 -2.037 1.00 0.00 O ATOM 83 CB HIS A 6 -19.845 9.506 -1.890 1.00 0.00 C ATOM 84 CG HIS A 6 -21.074 10.371 -1.883 1.00 0.00 C ATOM 85 ND1 HIS A 6 -21.926 10.438 -0.791 1.00 0.00 N ATOM 86 CD2 HIS A 6 -21.610 11.212 -2.828 1.00 0.00 C ATOM 87 CE1 HIS A 6 -22.918 11.292 -1.102 1.00 0.00 C ATOM 88 NE2 HIS A 6 -22.775 11.792 -2.332 1.00 0.00 N ATOM 0 H HIS A 6 -20.412 7.629 -0.232 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.967 8.126 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.390 9.495 -0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.104 9.914 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.192 11.395 -3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.731 11.543 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.387 12.456 -2.806 1.00 0.00 H new ATOM 96 N HIS A 7 -18.804 7.272 -4.102 1.00 0.00 N ATOM 97 CA HIS A 7 -17.610 6.570 -4.653 1.00 0.00 C ATOM 98 C HIS A 7 -16.338 7.204 -4.086 1.00 0.00 C ATOM 99 O HIS A 7 -15.440 6.520 -3.635 1.00 0.00 O ATOM 100 CB HIS A 7 -17.603 6.692 -6.178 1.00 0.00 C ATOM 101 CG HIS A 7 -16.649 5.684 -6.757 1.00 0.00 C ATOM 102 ND1 HIS A 7 -16.878 4.319 -6.678 1.00 0.00 N ATOM 103 CD2 HIS A 7 -15.459 5.826 -7.426 1.00 0.00 C ATOM 104 CE1 HIS A 7 -15.848 3.700 -7.284 1.00 0.00 C ATOM 105 NE2 HIS A 7 -14.955 4.572 -7.758 1.00 0.00 N ATOM 0 H HIS A 7 -19.437 7.663 -4.799 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.648 5.517 -4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.606 6.527 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.307 7.699 -6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.985 6.768 -7.659 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.755 2.628 -7.376 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.090 4.364 -8.256 1.00 0.00 H new ATOM 113 N HIS A 8 -16.253 8.506 -4.104 1.00 0.00 N ATOM 114 CA HIS A 8 -15.039 9.181 -3.566 1.00 0.00 C ATOM 115 C HIS A 8 -15.366 10.639 -3.243 1.00 0.00 C ATOM 116 O HIS A 8 -15.262 11.510 -4.085 1.00 0.00 O ATOM 117 CB HIS A 8 -13.921 9.127 -4.610 1.00 0.00 C ATOM 118 CG HIS A 8 -12.623 8.773 -3.937 1.00 0.00 C ATOM 119 ND1 HIS A 8 -12.525 7.742 -3.016 1.00 0.00 N ATOM 120 CD2 HIS A 8 -11.362 9.306 -4.040 1.00 0.00 C ATOM 121 CE1 HIS A 8 -11.245 7.687 -2.605 1.00 0.00 C ATOM 122 NE2 HIS A 8 -10.492 8.617 -3.198 1.00 0.00 N ATOM 0 H HIS A 8 -16.972 9.131 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 8 -14.713 8.673 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.159 8.389 -5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.832 10.090 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.086 10.134 -4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.871 6.976 -1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.495 8.786 -3.063 1.00 0.00 H new ATOM 130 N HIS A 9 -15.763 10.914 -2.031 1.00 0.00 N ATOM 131 CA HIS A 9 -16.098 12.316 -1.655 1.00 0.00 C ATOM 132 C HIS A 9 -14.840 13.182 -1.743 1.00 0.00 C ATOM 133 O HIS A 9 -14.839 14.234 -2.351 1.00 0.00 O ATOM 134 CB HIS A 9 -16.639 12.346 -0.224 1.00 0.00 C ATOM 135 CG HIS A 9 -17.040 13.751 0.131 1.00 0.00 C ATOM 136 ND1 HIS A 9 -16.238 14.574 0.906 1.00 0.00 N ATOM 137 CD2 HIS A 9 -18.155 14.491 -0.174 1.00 0.00 C ATOM 138 CE1 HIS A 9 -16.877 15.752 1.039 1.00 0.00 C ATOM 139 NE2 HIS A 9 -18.050 15.756 0.401 1.00 0.00 N ATOM 0 H HIS A 9 -15.870 10.227 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.855 12.704 -2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.496 11.678 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.880 11.987 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.987 14.145 -0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.488 16.592 1.595 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.724 16.520 0.346 1.00 0.00 H new ATOM 147 N GLY A 10 -13.767 12.750 -1.137 1.00 0.00 N ATOM 148 CA GLY A 10 -12.511 13.551 -1.186 1.00 0.00 C ATOM 149 C GLY A 10 -11.563 12.953 -2.228 1.00 0.00 C ATOM 150 O GLY A 10 -11.195 11.798 -2.156 1.00 0.00 O ATOM 0 H GLY A 10 -13.706 11.878 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.738 14.587 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.033 13.558 -0.206 1.00 0.00 H new ATOM 154 N SER A 11 -11.164 13.733 -3.196 1.00 0.00 N ATOM 155 CA SER A 11 -10.239 13.211 -4.240 1.00 0.00 C ATOM 156 C SER A 11 -9.100 14.209 -4.457 1.00 0.00 C ATOM 157 O SER A 11 -8.809 15.027 -3.608 1.00 0.00 O ATOM 158 CB SER A 11 -11.007 13.019 -5.550 1.00 0.00 C ATOM 159 OG SER A 11 -10.170 12.372 -6.498 1.00 0.00 O ATOM 0 H SER A 11 -11.439 14.709 -3.308 1.00 0.00 H new ATOM 0 HA SER A 11 -9.827 12.255 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.904 12.424 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.335 13.984 -5.937 1.00 0.00 H new ATOM 0 HG SER A 11 -10.661 12.247 -7.337 1.00 0.00 H new ATOM 165 N ALA A 12 -8.451 14.147 -5.588 1.00 0.00 N ATOM 166 CA ALA A 12 -7.332 15.094 -5.857 1.00 0.00 C ATOM 167 C ALA A 12 -7.818 16.211 -6.784 1.00 0.00 C ATOM 168 O ALA A 12 -8.838 16.093 -7.432 1.00 0.00 O ATOM 169 CB ALA A 12 -6.177 14.343 -6.524 1.00 0.00 C ATOM 0 H ALA A 12 -8.647 13.482 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.989 15.527 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.358 15.035 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.830 13.549 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.519 13.909 -7.464 1.00 0.00 H new ATOM 175 N VAL A 13 -7.095 17.296 -6.849 1.00 0.00 N ATOM 176 CA VAL A 13 -7.519 18.419 -7.732 1.00 0.00 C ATOM 177 C VAL A 13 -6.345 18.847 -8.615 1.00 0.00 C ATOM 178 O VAL A 13 -5.202 18.806 -8.206 1.00 0.00 O ATOM 179 CB VAL A 13 -7.963 19.605 -6.871 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.769 20.582 -7.729 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.832 19.104 -5.717 1.00 0.00 C ATOM 0 H VAL A 13 -6.231 17.453 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.348 18.092 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.085 20.110 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.086 21.427 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.150 20.941 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.647 20.075 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.147 19.949 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.711 18.598 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.259 18.407 -5.105 1.00 0.00 H new ATOM 191 N GLN A 14 -6.618 19.260 -9.823 1.00 0.00 N ATOM 192 CA GLN A 14 -5.516 19.692 -10.728 1.00 0.00 C ATOM 193 C GLN A 14 -5.614 21.202 -10.957 1.00 0.00 C ATOM 194 O GLN A 14 -6.616 21.705 -11.425 1.00 0.00 O ATOM 195 CB GLN A 14 -5.639 18.961 -12.066 1.00 0.00 C ATOM 196 CG GLN A 14 -5.075 17.546 -11.926 1.00 0.00 C ATOM 197 CD GLN A 14 -5.256 16.790 -13.243 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.360 16.661 -13.735 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.213 16.281 -13.839 1.00 0.00 N ATOM 0 H GLN A 14 -7.555 19.317 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.554 19.454 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.683 18.919 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.099 19.505 -12.841 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.018 17.589 -11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.584 17.019 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.286 16.389 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.324 15.775 -14.718 1.00 0.00 H new ATOM 208 N VAL A 15 -4.583 21.931 -10.625 1.00 0.00 N ATOM 209 CA VAL A 15 -4.625 23.409 -10.817 1.00 0.00 C ATOM 210 C VAL A 15 -3.380 23.869 -11.584 1.00 0.00 C ATOM 211 O VAL A 15 -2.286 23.395 -11.350 1.00 0.00 O ATOM 212 CB VAL A 15 -4.661 24.094 -9.450 1.00 0.00 C ATOM 213 CG1 VAL A 15 -4.972 25.580 -9.629 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.741 23.446 -8.582 1.00 0.00 C ATOM 0 H VAL A 15 -3.715 21.568 -10.230 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.516 23.674 -11.386 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.691 23.984 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.997 26.066 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.200 26.042 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.941 25.693 -10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.766 23.934 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.711 23.554 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.516 22.387 -8.451 1.00 0.00 H new ATOM 224 N THR A 16 -3.540 24.791 -12.496 1.00 0.00 N ATOM 225 CA THR A 16 -2.366 25.283 -13.275 1.00 0.00 C ATOM 226 C THR A 16 -2.501 26.793 -13.504 1.00 0.00 C ATOM 227 O THR A 16 -3.588 27.312 -13.655 1.00 0.00 O ATOM 228 CB THR A 16 -2.314 24.566 -14.627 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.386 25.018 -15.442 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.435 23.057 -14.411 1.00 0.00 C ATOM 0 H THR A 16 -4.432 25.224 -12.735 1.00 0.00 H new ATOM 0 HA THR A 16 -1.451 25.079 -12.719 1.00 0.00 H new ATOM 0 HB THR A 16 -1.366 24.785 -15.119 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.353 24.561 -16.308 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.398 22.547 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.612 22.712 -13.786 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.382 22.835 -13.919 1.00 0.00 H new ATOM 238 N PHE A 17 -1.403 27.501 -13.526 1.00 0.00 N ATOM 239 CA PHE A 17 -1.470 28.977 -13.740 1.00 0.00 C ATOM 240 C PHE A 17 -0.723 29.353 -15.021 1.00 0.00 C ATOM 241 O PHE A 17 0.446 29.067 -15.171 1.00 0.00 O ATOM 242 CB PHE A 17 -0.812 29.697 -12.563 1.00 0.00 C ATOM 243 CG PHE A 17 -1.554 29.384 -11.289 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.234 28.236 -10.555 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.554 30.250 -10.835 1.00 0.00 C ATOM 246 CE1 PHE A 17 -1.918 27.953 -9.368 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.236 29.969 -9.647 1.00 0.00 C ATOM 248 CZ PHE A 17 -2.918 28.819 -8.913 1.00 0.00 C ATOM 0 H PHE A 17 -0.464 27.122 -13.405 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.516 29.272 -13.822 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.229 29.388 -12.473 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.811 30.773 -12.738 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.460 27.569 -10.905 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.799 31.136 -11.402 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.674 27.066 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.007 30.638 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.445 28.601 -7.996 1.00 0.00 H new ATOM 258 N THR A 18 -1.378 30.008 -15.939 1.00 0.00 N ATOM 259 CA THR A 18 -0.685 30.410 -17.194 1.00 0.00 C ATOM 260 C THR A 18 -0.727 31.936 -17.322 1.00 0.00 C ATOM 261 O THR A 18 -1.772 32.547 -17.221 1.00 0.00 O ATOM 262 CB THR A 18 -1.378 29.769 -18.399 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.465 28.365 -18.200 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.573 30.058 -19.667 1.00 0.00 C ATOM 0 H THR A 18 -2.359 30.281 -15.875 1.00 0.00 H new ATOM 0 HA THR A 18 0.351 30.073 -17.163 1.00 0.00 H new ATOM 0 HB THR A 18 -2.380 30.184 -18.506 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.910 27.952 -18.970 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.068 29.601 -20.524 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.507 31.135 -19.818 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.430 29.644 -19.564 1.00 0.00 H new ATOM 272 N VAL A 19 0.400 32.555 -17.540 1.00 0.00 N ATOM 273 CA VAL A 19 0.421 34.040 -17.670 1.00 0.00 C ATOM 274 C VAL A 19 -0.118 34.439 -19.044 1.00 0.00 C ATOM 275 O VAL A 19 0.271 33.888 -20.055 1.00 0.00 O ATOM 276 CB VAL A 19 1.857 34.547 -17.523 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.848 36.068 -17.365 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.499 33.909 -16.289 1.00 0.00 C ATOM 0 H VAL A 19 1.307 32.098 -17.634 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.202 34.480 -16.891 1.00 0.00 H new ATOM 0 HB VAL A 19 2.430 34.278 -18.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.871 36.429 -17.260 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.391 36.522 -18.244 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.275 36.338 -16.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.522 34.270 -16.184 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.926 34.177 -15.401 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.506 32.825 -16.402 1.00 0.00 H new ATOM 288 N GLN A 20 -1.010 35.390 -19.094 1.00 0.00 N ATOM 289 CA GLN A 20 -1.566 35.816 -20.408 1.00 0.00 C ATOM 290 C GLN A 20 -1.001 37.187 -20.785 1.00 0.00 C ATOM 291 O GLN A 20 -0.586 37.954 -19.939 1.00 0.00 O ATOM 292 CB GLN A 20 -3.091 35.904 -20.310 1.00 0.00 C ATOM 293 CG GLN A 20 -3.652 34.555 -19.852 1.00 0.00 C ATOM 294 CD GLN A 20 -3.711 33.597 -21.044 1.00 0.00 C ATOM 295 OE1 GLN A 20 -4.581 33.708 -21.885 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.817 32.653 -21.150 1.00 0.00 N ATOM 0 H GLN A 20 -1.377 35.889 -18.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.290 35.088 -21.171 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.376 36.686 -19.607 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.513 36.176 -21.277 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.024 34.136 -19.066 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.648 34.688 -19.429 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.087 32.560 -20.444 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.848 32.008 -21.939 1.00 0.00 H new ATOM 305 N LYS A 21 -0.986 37.498 -22.050 1.00 0.00 N ATOM 306 CA LYS A 21 -0.454 38.816 -22.496 1.00 0.00 C ATOM 307 C LYS A 21 -1.095 39.941 -21.678 1.00 0.00 C ATOM 308 O LYS A 21 -2.281 40.184 -21.771 1.00 0.00 O ATOM 309 CB LYS A 21 -0.796 39.017 -23.973 1.00 0.00 C ATOM 310 CG LYS A 21 -0.007 38.017 -24.821 1.00 0.00 C ATOM 311 CD LYS A 21 -0.230 38.317 -26.304 1.00 0.00 C ATOM 312 CE LYS A 21 0.364 37.188 -27.148 1.00 0.00 C ATOM 313 NZ LYS A 21 0.473 37.634 -28.567 1.00 0.00 N ATOM 0 H LYS A 21 -1.321 36.893 -22.799 1.00 0.00 H new ATOM 0 HA LYS A 21 0.626 38.836 -22.353 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.866 38.880 -24.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.557 40.036 -24.277 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.055 38.080 -24.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.326 37.000 -24.593 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.296 38.417 -26.509 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.236 39.266 -26.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.347 36.912 -26.766 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.265 36.300 -27.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.877 36.867 -29.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.472 37.877 -28.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.090 38.469 -28.622 1.00 0.00 H new ATOM 327 N GLY A 22 -0.325 40.643 -20.889 1.00 0.00 N ATOM 328 CA GLY A 22 -0.913 41.757 -20.091 1.00 0.00 C ATOM 329 C GLY A 22 -0.331 41.773 -18.675 1.00 0.00 C ATOM 330 O GLY A 22 -0.711 42.587 -17.856 1.00 0.00 O ATOM 0 H GLY A 22 0.676 40.495 -20.763 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.713 42.709 -20.583 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.996 41.645 -20.043 1.00 0.00 H new ATOM 334 N SER A 23 0.583 40.892 -18.367 1.00 0.00 N ATOM 335 CA SER A 23 1.162 40.891 -16.993 1.00 0.00 C ATOM 336 C SER A 23 1.889 42.218 -16.752 1.00 0.00 C ATOM 337 O SER A 23 2.516 42.761 -17.639 1.00 0.00 O ATOM 338 CB SER A 23 2.148 39.728 -16.850 1.00 0.00 C ATOM 339 OG SER A 23 3.315 40.000 -17.611 1.00 0.00 O ATOM 0 H SER A 23 0.950 40.181 -18.999 1.00 0.00 H new ATOM 0 HA SER A 23 0.364 40.774 -16.260 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.410 39.586 -15.801 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.686 38.802 -17.191 1.00 0.00 H new ATOM 0 HG SER A 23 3.965 40.478 -17.054 1.00 0.00 H new ATOM 345 N ASP A 24 1.805 42.749 -15.562 1.00 0.00 N ATOM 346 CA ASP A 24 2.487 44.045 -15.275 1.00 0.00 C ATOM 347 C ASP A 24 3.167 43.977 -13.905 1.00 0.00 C ATOM 348 O ASP A 24 3.024 43.015 -13.178 1.00 0.00 O ATOM 349 CB ASP A 24 1.456 45.179 -15.275 1.00 0.00 C ATOM 350 CG ASP A 24 0.176 44.714 -15.973 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.414 43.753 -15.506 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.193 45.327 -16.961 1.00 0.00 O ATOM 0 H ASP A 24 1.295 42.343 -14.777 1.00 0.00 H new ATOM 0 HA ASP A 24 3.237 44.234 -16.043 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.234 45.481 -14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.862 46.053 -15.784 1.00 0.00 H new ATOM 357 N PRO A 25 3.928 45.026 -13.553 1.00 0.00 N ATOM 358 CA PRO A 25 4.641 45.094 -12.270 1.00 0.00 C ATOM 359 C PRO A 25 3.680 45.292 -11.093 1.00 0.00 C ATOM 360 O PRO A 25 3.935 44.853 -9.989 1.00 0.00 O ATOM 361 CB PRO A 25 5.537 46.322 -12.423 1.00 0.00 C ATOM 362 CG PRO A 25 4.847 47.170 -13.437 1.00 0.00 C ATOM 363 CD PRO A 25 4.153 46.226 -14.378 1.00 0.00 C ATOM 0 HA PRO A 25 5.186 44.175 -12.057 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.650 46.850 -11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.537 46.043 -12.754 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.131 47.840 -12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.562 47.796 -13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.215 46.642 -14.746 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.767 46.004 -15.251 1.00 0.00 H new ATOM 371 N LYS A 26 2.573 45.944 -11.325 1.00 0.00 N ATOM 372 CA LYS A 26 1.589 46.165 -10.227 1.00 0.00 C ATOM 373 C LYS A 26 0.271 45.481 -10.593 1.00 0.00 C ATOM 374 O LYS A 26 -0.712 45.578 -9.886 1.00 0.00 O ATOM 375 CB LYS A 26 1.353 47.664 -10.042 1.00 0.00 C ATOM 376 CG LYS A 26 2.685 48.358 -9.749 1.00 0.00 C ATOM 377 CD LYS A 26 2.437 49.843 -9.474 1.00 0.00 C ATOM 378 CE LYS A 26 3.762 50.527 -9.131 1.00 0.00 C ATOM 379 NZ LYS A 26 3.918 51.755 -9.961 1.00 0.00 N ATOM 0 H LYS A 26 2.307 46.334 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 26 1.976 45.746 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.901 48.085 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.654 47.835 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.168 47.894 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.362 48.242 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.987 50.315 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.732 49.958 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.787 50.785 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.593 49.845 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.819 52.220 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.913 51.496 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.132 52.407 -9.767 1.00 0.00 H new ATOM 393 N LYS A 27 0.252 44.785 -11.695 1.00 0.00 N ATOM 394 CA LYS A 27 -0.988 44.082 -12.124 1.00 0.00 C ATOM 395 C LYS A 27 -0.595 42.749 -12.760 1.00 0.00 C ATOM 396 O LYS A 27 0.318 42.682 -13.561 1.00 0.00 O ATOM 397 CB LYS A 27 -1.735 44.938 -13.148 1.00 0.00 C ATOM 398 CG LYS A 27 -2.063 46.299 -12.529 1.00 0.00 C ATOM 399 CD LYS A 27 -2.839 47.147 -13.538 1.00 0.00 C ATOM 400 CE LYS A 27 -3.017 48.561 -12.984 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.317 49.119 -13.454 1.00 0.00 N ATOM 0 H LYS A 27 1.049 44.672 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.636 43.910 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.126 45.070 -14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.652 44.437 -13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.652 46.165 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.144 46.809 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.305 47.181 -14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.812 46.697 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.990 48.542 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.196 49.198 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.438 50.081 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.326 49.151 -14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.095 48.515 -13.119 1.00 0.00 H new ATOM 415 N LEU A 28 -1.258 41.684 -12.408 1.00 0.00 N ATOM 416 CA LEU A 28 -0.891 40.368 -12.997 1.00 0.00 C ATOM 417 C LEU A 28 -2.126 39.683 -13.582 1.00 0.00 C ATOM 418 O LEU A 28 -3.170 39.615 -12.963 1.00 0.00 O ATOM 419 CB LEU A 28 -0.281 39.478 -11.913 1.00 0.00 C ATOM 420 CG LEU A 28 1.048 38.908 -12.412 1.00 0.00 C ATOM 421 CD1 LEU A 28 1.991 38.699 -11.225 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.799 37.568 -13.107 1.00 0.00 C ATOM 0 H LEU A 28 -2.032 41.667 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.166 40.529 -13.795 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.123 40.053 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.966 38.668 -11.664 1.00 0.00 H new ATOM 0 HG LEU A 28 1.500 39.605 -13.117 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.938 38.293 -11.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.168 39.653 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.539 38.002 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.746 37.161 -13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.347 36.871 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.127 37.716 -13.952 1.00 0.00 H new ATOM 434 N VAL A 29 -1.997 39.158 -14.768 1.00 0.00 N ATOM 435 CA VAL A 29 -3.136 38.450 -15.412 1.00 0.00 C ATOM 436 C VAL A 29 -2.689 37.022 -15.723 1.00 0.00 C ATOM 437 O VAL A 29 -1.699 36.809 -16.393 1.00 0.00 O ATOM 438 CB VAL A 29 -3.520 39.165 -16.709 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.874 38.646 -17.199 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.616 40.671 -16.451 1.00 0.00 C ATOM 0 H VAL A 29 -1.142 39.190 -15.324 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.001 38.441 -14.749 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.761 38.972 -17.467 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.146 39.156 -18.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.808 37.574 -17.382 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.633 38.838 -16.441 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.890 41.182 -17.374 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.375 40.862 -15.692 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.652 41.043 -16.103 1.00 0.00 H new ATOM 450 N LEU A 30 -3.395 36.041 -15.236 1.00 0.00 N ATOM 451 CA LEU A 30 -2.980 34.636 -15.507 1.00 0.00 C ATOM 452 C LEU A 30 -4.213 33.756 -15.690 1.00 0.00 C ATOM 453 O LEU A 30 -5.216 33.926 -15.026 1.00 0.00 O ATOM 454 CB LEU A 30 -2.169 34.097 -14.323 1.00 0.00 C ATOM 455 CG LEU A 30 -1.026 35.055 -13.981 1.00 0.00 C ATOM 456 CD1 LEU A 30 -1.130 35.463 -12.509 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.313 34.355 -14.221 1.00 0.00 C ATOM 0 H LEU A 30 -4.235 36.149 -14.667 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.374 34.620 -16.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.818 33.971 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.767 33.113 -14.566 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.091 35.942 -14.612 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.317 36.146 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.085 35.959 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.062 34.576 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.128 35.036 -13.978 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.379 33.470 -13.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.387 34.060 -15.268 1.00 0.00 H new ATOM 469 N ASP A 31 -4.134 32.792 -16.563 1.00 0.00 N ATOM 470 CA ASP A 31 -5.288 31.878 -16.760 1.00 0.00 C ATOM 471 C ASP A 31 -5.168 30.756 -15.730 1.00 0.00 C ATOM 472 O ASP A 31 -4.098 30.228 -15.504 1.00 0.00 O ATOM 473 CB ASP A 31 -5.255 31.294 -18.174 1.00 0.00 C ATOM 474 CG ASP A 31 -6.491 30.419 -18.394 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.375 30.457 -17.554 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.532 29.727 -19.397 1.00 0.00 O ATOM 0 H ASP A 31 -3.321 32.599 -17.147 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.228 32.415 -16.634 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.229 32.097 -18.910 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.349 30.704 -18.314 1.00 0.00 H new ATOM 481 N ILE A 32 -6.241 30.391 -15.091 1.00 0.00 N ATOM 482 CA ILE A 32 -6.143 29.313 -14.070 1.00 0.00 C ATOM 483 C ILE A 32 -7.054 28.146 -14.442 1.00 0.00 C ATOM 484 O ILE A 32 -8.220 28.318 -14.737 1.00 0.00 O ATOM 485 CB ILE A 32 -6.555 29.857 -12.703 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.493 30.835 -12.199 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.695 28.695 -11.716 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.991 31.515 -10.923 1.00 0.00 C ATOM 0 H ILE A 32 -7.171 30.786 -15.228 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.111 28.963 -14.031 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.509 30.377 -12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.561 30.306 -12.002 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.280 31.583 -12.963 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.989 29.080 -10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.455 28.001 -12.076 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.741 28.175 -11.629 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.234 32.212 -10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.912 32.057 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.182 30.761 -10.159 1.00 0.00 H new ATOM 500 N LYS A 33 -6.531 26.953 -14.398 1.00 0.00 N ATOM 501 CA LYS A 33 -7.361 25.763 -14.714 1.00 0.00 C ATOM 502 C LYS A 33 -7.559 24.972 -13.422 1.00 0.00 C ATOM 503 O LYS A 33 -6.616 24.513 -12.810 1.00 0.00 O ATOM 504 CB LYS A 33 -6.658 24.895 -15.760 1.00 0.00 C ATOM 505 CG LYS A 33 -6.573 25.659 -17.085 1.00 0.00 C ATOM 506 CD LYS A 33 -5.935 24.766 -18.150 1.00 0.00 C ATOM 507 CE LYS A 33 -5.517 25.619 -19.350 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.629 25.662 -20.341 1.00 0.00 N ATOM 0 H LYS A 33 -5.561 26.752 -14.156 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.325 26.070 -15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.658 24.630 -15.416 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.204 23.962 -15.900 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.569 25.968 -17.403 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.984 26.567 -16.956 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.067 24.252 -17.736 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.641 23.997 -18.465 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.268 26.629 -19.023 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.621 25.203 -19.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.345 26.242 -21.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.846 24.697 -20.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.473 26.078 -19.898 1.00 0.00 H new ATOM 522 N TYR A 34 -8.781 24.824 -12.999 1.00 0.00 N ATOM 523 CA TYR A 34 -9.051 24.079 -11.737 1.00 0.00 C ATOM 524 C TYR A 34 -9.971 22.895 -12.035 1.00 0.00 C ATOM 525 O TYR A 34 -11.138 23.062 -12.332 1.00 0.00 O ATOM 526 CB TYR A 34 -9.723 25.021 -10.737 1.00 0.00 C ATOM 527 CG TYR A 34 -9.861 24.337 -9.398 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.776 24.309 -8.513 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.073 23.736 -9.040 1.00 0.00 C ATOM 530 CE1 TYR A 34 -8.904 23.680 -7.269 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.201 23.106 -7.795 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.116 23.078 -6.910 1.00 0.00 C ATOM 533 OH TYR A 34 -10.242 22.460 -5.683 1.00 0.00 O ATOM 0 H TYR A 34 -9.608 25.187 -13.473 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.117 23.708 -11.316 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.134 25.932 -10.631 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.705 25.317 -11.107 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.841 24.773 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.909 23.758 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.068 23.659 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.136 22.642 -7.518 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.660 22.905 -5.032 1.00 0.00 H new ATOM 543 N THR A 35 -9.453 21.698 -11.968 1.00 0.00 N ATOM 544 CA THR A 35 -10.300 20.506 -12.258 1.00 0.00 C ATOM 545 C THR A 35 -10.498 19.686 -10.983 1.00 0.00 C ATOM 546 O THR A 35 -9.559 19.164 -10.414 1.00 0.00 O ATOM 547 CB THR A 35 -9.616 19.642 -13.321 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.457 20.398 -14.513 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.476 18.409 -13.607 1.00 0.00 C ATOM 0 H THR A 35 -8.483 21.495 -11.726 1.00 0.00 H new ATOM 0 HA THR A 35 -11.272 20.836 -12.625 1.00 0.00 H new ATOM 0 HB THR A 35 -8.638 19.325 -12.959 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.018 19.847 -15.194 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.989 17.794 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.598 17.830 -12.692 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.454 18.724 -13.970 1.00 0.00 H new ATOM 557 N ARG A 36 -11.717 19.563 -10.535 1.00 0.00 N ATOM 558 CA ARG A 36 -11.988 18.771 -9.302 1.00 0.00 C ATOM 559 C ARG A 36 -13.228 17.902 -9.525 1.00 0.00 C ATOM 560 O ARG A 36 -14.196 18.329 -10.122 1.00 0.00 O ATOM 561 CB ARG A 36 -12.235 19.723 -8.127 1.00 0.00 C ATOM 562 CG ARG A 36 -12.132 18.945 -6.812 1.00 0.00 C ATOM 563 CD ARG A 36 -12.066 19.928 -5.640 1.00 0.00 C ATOM 564 NE ARG A 36 -11.596 19.213 -4.420 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.346 18.298 -3.870 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.568 18.583 -3.513 1.00 0.00 N ATOM 567 NH2 ARG A 36 -11.873 17.096 -3.678 1.00 0.00 N ATOM 0 H ARG A 36 -12.540 19.978 -10.971 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.131 18.136 -9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.506 20.533 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.221 20.180 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.992 18.286 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.244 18.312 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.389 20.749 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.048 20.366 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.688 19.439 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.938 19.522 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.154 17.867 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.918 16.873 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.459 16.380 -3.248 1.00 0.00 H new ATOM 581 N PRO A 37 -13.191 16.654 -9.036 1.00 0.00 N ATOM 582 CA PRO A 37 -14.308 15.711 -9.184 1.00 0.00 C ATOM 583 C PRO A 37 -15.520 16.117 -8.339 1.00 0.00 C ATOM 584 O PRO A 37 -15.504 16.025 -7.127 1.00 0.00 O ATOM 585 CB PRO A 37 -13.733 14.392 -8.669 1.00 0.00 C ATOM 586 CG PRO A 37 -12.638 14.797 -7.740 1.00 0.00 C ATOM 587 CD PRO A 37 -12.058 16.063 -8.302 1.00 0.00 C ATOM 0 HA PRO A 37 -14.667 15.666 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.492 13.803 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.353 13.779 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.022 14.958 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.879 14.018 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.698 16.726 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.213 15.862 -8.960 1.00 0.00 H new ATOM 595 N GLY A 38 -16.574 16.558 -8.971 1.00 0.00 N ATOM 596 CA GLY A 38 -17.789 16.962 -8.208 1.00 0.00 C ATOM 597 C GLY A 38 -17.591 18.359 -7.615 1.00 0.00 C ATOM 598 O GLY A 38 -18.426 18.856 -6.886 1.00 0.00 O ATOM 0 H GLY A 38 -16.646 16.656 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.660 16.956 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.985 16.244 -7.412 1.00 0.00 H new ATOM 602 N ASP A 39 -16.495 18.998 -7.919 1.00 0.00 N ATOM 603 CA ASP A 39 -16.253 20.360 -7.367 1.00 0.00 C ATOM 604 C ASP A 39 -15.752 21.287 -8.477 1.00 0.00 C ATOM 605 O ASP A 39 -15.488 20.862 -9.584 1.00 0.00 O ATOM 606 CB ASP A 39 -15.205 20.280 -6.258 1.00 0.00 C ATOM 607 CG ASP A 39 -15.869 19.818 -4.959 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.457 20.651 -4.289 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.779 18.639 -4.658 1.00 0.00 O ATOM 0 H ASP A 39 -15.758 18.637 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.184 20.755 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.413 19.586 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.738 21.254 -6.114 1.00 0.00 H new ATOM 614 N SER A 40 -15.622 22.553 -8.187 1.00 0.00 N ATOM 615 CA SER A 40 -15.140 23.511 -9.223 1.00 0.00 C ATOM 616 C SER A 40 -14.505 24.726 -8.540 1.00 0.00 C ATOM 617 O SER A 40 -14.714 24.969 -7.369 1.00 0.00 O ATOM 618 CB SER A 40 -16.323 23.969 -10.079 1.00 0.00 C ATOM 619 OG SER A 40 -16.622 22.972 -11.045 1.00 0.00 O ATOM 0 H SER A 40 -15.829 22.966 -7.277 1.00 0.00 H new ATOM 0 HA SER A 40 -14.399 23.022 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.193 24.152 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.085 24.910 -10.574 1.00 0.00 H new ATOM 0 HG SER A 40 -16.228 22.119 -10.767 1.00 0.00 H new ATOM 625 N LEU A 41 -13.731 25.488 -9.264 1.00 0.00 N ATOM 626 CA LEU A 41 -13.083 26.684 -8.655 1.00 0.00 C ATOM 627 C LEU A 41 -14.143 27.752 -8.374 1.00 0.00 C ATOM 628 O LEU A 41 -14.929 28.097 -9.233 1.00 0.00 O ATOM 629 CB LEU A 41 -12.041 27.248 -9.622 1.00 0.00 C ATOM 630 CG LEU A 41 -11.549 28.603 -9.110 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.223 28.497 -7.620 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.292 29.013 -9.880 1.00 0.00 C ATOM 0 H LEU A 41 -13.520 25.334 -10.250 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.598 26.397 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.203 26.557 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.474 27.359 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.327 29.352 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.872 29.462 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.119 28.205 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.445 27.748 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.941 29.978 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.514 28.264 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.525 29.089 -10.942 1.00 0.00 H new ATOM 644 N ALA A 42 -14.174 28.278 -7.179 1.00 0.00 N ATOM 645 CA ALA A 42 -15.187 29.320 -6.851 1.00 0.00 C ATOM 646 C ALA A 42 -14.488 30.643 -6.539 1.00 0.00 C ATOM 647 O ALA A 42 -14.919 31.698 -6.965 1.00 0.00 O ATOM 648 CB ALA A 42 -15.996 28.878 -5.632 1.00 0.00 C ATOM 0 H ALA A 42 -13.542 28.031 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.851 29.454 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.737 29.640 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.501 27.937 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.328 28.741 -4.782 1.00 0.00 H new ATOM 654 N GLU A 43 -13.417 30.603 -5.794 1.00 0.00 N ATOM 655 CA GLU A 43 -12.704 31.868 -5.453 1.00 0.00 C ATOM 656 C GLU A 43 -11.191 31.631 -5.446 1.00 0.00 C ATOM 657 O GLU A 43 -10.721 30.543 -5.177 1.00 0.00 O ATOM 658 CB GLU A 43 -13.148 32.345 -4.069 1.00 0.00 C ATOM 659 CG GLU A 43 -14.622 32.748 -4.116 1.00 0.00 C ATOM 660 CD GLU A 43 -15.044 33.296 -2.751 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.261 33.184 -1.822 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.143 33.817 -2.658 1.00 0.00 O ATOM 0 H GLU A 43 -13.006 29.753 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.945 32.625 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.000 31.553 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.539 33.191 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.780 33.502 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.237 31.888 -4.381 1.00 0.00 H new ATOM 669 N VAL A 44 -10.427 32.649 -5.743 1.00 0.00 N ATOM 670 CA VAL A 44 -8.944 32.496 -5.757 1.00 0.00 C ATOM 671 C VAL A 44 -8.297 33.742 -5.148 1.00 0.00 C ATOM 672 O VAL A 44 -8.692 34.855 -5.434 1.00 0.00 O ATOM 673 CB VAL A 44 -8.465 32.349 -7.203 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.979 31.988 -7.213 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.263 31.246 -7.896 1.00 0.00 C ATOM 0 H VAL A 44 -10.768 33.582 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.666 31.614 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.614 33.290 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.637 31.883 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.410 32.776 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.830 31.047 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.921 31.142 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.116 30.304 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.322 31.504 -7.889 1.00 0.00 H new ATOM 685 N GLU A 45 -7.299 33.577 -4.324 1.00 0.00 N ATOM 686 CA GLU A 45 -6.637 34.772 -3.730 1.00 0.00 C ATOM 687 C GLU A 45 -5.128 34.680 -3.964 1.00 0.00 C ATOM 688 O GLU A 45 -4.568 33.606 -4.069 1.00 0.00 O ATOM 689 CB GLU A 45 -6.935 34.851 -2.231 1.00 0.00 C ATOM 690 CG GLU A 45 -8.439 34.672 -2.000 1.00 0.00 C ATOM 691 CD GLU A 45 -8.729 34.687 -0.499 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.792 34.539 0.268 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.885 34.848 -0.141 1.00 0.00 O ATOM 0 H GLU A 45 -6.916 32.676 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.023 35.673 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.380 34.079 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.607 35.812 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.992 35.470 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.776 33.732 -2.437 1.00 0.00 H new ATOM 700 N LEU A 46 -4.470 35.801 -4.069 1.00 0.00 N ATOM 701 CA LEU A 46 -3.002 35.789 -4.320 1.00 0.00 C ATOM 702 C LEU A 46 -2.266 36.513 -3.191 1.00 0.00 C ATOM 703 O LEU A 46 -2.633 37.601 -2.793 1.00 0.00 O ATOM 704 CB LEU A 46 -2.726 36.506 -5.645 1.00 0.00 C ATOM 705 CG LEU A 46 -1.221 36.714 -5.815 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.486 35.415 -5.492 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.926 37.115 -7.261 1.00 0.00 C ATOM 0 H LEU A 46 -4.888 36.728 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.650 34.758 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.118 35.919 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.240 37.467 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.884 37.500 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.587 35.564 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.698 35.123 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.822 34.629 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.147 37.264 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.263 36.326 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.451 38.041 -7.496 1.00 0.00 H new ATOM 719 N ARG A 47 -1.221 35.923 -2.680 1.00 0.00 N ATOM 720 CA ARG A 47 -0.448 36.577 -1.586 1.00 0.00 C ATOM 721 C ARG A 47 0.946 36.937 -2.104 1.00 0.00 C ATOM 722 O ARG A 47 1.648 36.109 -2.650 1.00 0.00 O ATOM 723 CB ARG A 47 -0.315 35.619 -0.402 1.00 0.00 C ATOM 724 CG ARG A 47 0.188 36.385 0.822 1.00 0.00 C ATOM 725 CD ARG A 47 0.472 35.401 1.958 1.00 0.00 C ATOM 726 NE ARG A 47 1.761 34.702 1.699 1.00 0.00 N ATOM 727 CZ ARG A 47 2.853 35.106 2.288 1.00 0.00 C ATOM 728 NH1 ARG A 47 3.445 36.197 1.884 1.00 0.00 N ATOM 729 NH2 ARG A 47 3.353 34.420 3.278 1.00 0.00 N ATOM 0 H ARG A 47 -0.868 35.012 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.969 37.478 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.278 35.157 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.376 34.813 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.093 36.939 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.556 37.116 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.518 35.931 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.338 34.676 2.036 1.00 0.00 H new ATOM 0 HE ARG A 47 1.790 33.907 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.054 36.732 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.299 36.514 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.890 33.567 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.207 34.736 3.738 1.00 0.00 H new ATOM 743 N GLN A 48 1.350 38.166 -1.939 1.00 0.00 N ATOM 744 CA GLN A 48 2.698 38.576 -2.424 1.00 0.00 C ATOM 745 C GLN A 48 3.772 37.960 -1.526 1.00 0.00 C ATOM 746 O GLN A 48 3.545 37.696 -0.362 1.00 0.00 O ATOM 747 CB GLN A 48 2.811 40.101 -2.384 1.00 0.00 C ATOM 748 CG GLN A 48 1.803 40.714 -3.358 1.00 0.00 C ATOM 749 CD GLN A 48 1.870 39.975 -4.696 1.00 0.00 C ATOM 750 OE1 GLN A 48 2.937 39.609 -5.149 1.00 0.00 O ATOM 751 NE2 GLN A 48 0.767 39.738 -5.352 1.00 0.00 N ATOM 0 H GLN A 48 0.806 38.903 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 48 2.838 38.228 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.623 40.464 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.822 40.408 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.796 40.649 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.020 41.772 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.128 40.045 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.800 39.246 -6.245 1.00 0.00 H new ATOM 760 N HIS A 49 4.940 37.731 -2.059 1.00 0.00 N ATOM 761 CA HIS A 49 6.028 37.131 -1.237 1.00 0.00 C ATOM 762 C HIS A 49 6.497 38.144 -0.190 1.00 0.00 C ATOM 763 O HIS A 49 7.102 39.148 -0.511 1.00 0.00 O ATOM 764 CB HIS A 49 7.203 36.759 -2.141 1.00 0.00 C ATOM 765 CG HIS A 49 8.276 36.093 -1.321 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.304 34.900 -0.643 1.00 0.00 N flip ATOM 767 CD2 HIS A 49 9.520 36.670 -1.124 1.00 0.00 C flip ATOM 768 CE1 HIS A 49 9.545 34.737 -0.034 1.00 0.00 C flip ATOM 769 NE2 HIS A 49 10.239 35.832 -0.356 1.00 0.00 N flip ATOM 0 H HIS A 49 5.188 37.933 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 49 5.653 36.238 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.868 36.090 -2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.601 37.651 -2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.852 37.620 -1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.876 33.904 0.569 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.197 36.011 -0.056 1.00 0.00 H new ATOM 777 N GLY A 50 6.229 37.887 1.061 1.00 0.00 N ATOM 778 CA GLY A 50 6.665 38.834 2.126 1.00 0.00 C ATOM 779 C GLY A 50 5.453 39.595 2.669 1.00 0.00 C ATOM 780 O GLY A 50 5.579 40.451 3.522 1.00 0.00 O ATOM 0 H GLY A 50 5.727 37.063 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.155 38.288 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.397 39.535 1.725 1.00 0.00 H new ATOM 784 N SER A 51 4.281 39.293 2.184 1.00 0.00 N ATOM 785 CA SER A 51 3.068 40.003 2.678 1.00 0.00 C ATOM 786 C SER A 51 2.172 39.018 3.433 1.00 0.00 C ATOM 787 O SER A 51 2.204 37.828 3.195 1.00 0.00 O ATOM 788 CB SER A 51 2.298 40.587 1.492 1.00 0.00 C ATOM 789 OG SER A 51 1.187 41.332 1.970 1.00 0.00 O ATOM 0 H SER A 51 4.111 38.587 1.468 1.00 0.00 H new ATOM 0 HA SER A 51 3.368 40.809 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.952 41.228 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.957 39.786 0.836 1.00 0.00 H new ATOM 0 HG SER A 51 0.694 41.708 1.211 1.00 0.00 H new ATOM 795 N GLU A 52 1.373 39.507 4.341 1.00 0.00 N ATOM 796 CA GLU A 52 0.476 38.600 5.109 1.00 0.00 C ATOM 797 C GLU A 52 -0.980 38.895 4.742 1.00 0.00 C ATOM 798 O GLU A 52 -1.897 38.500 5.434 1.00 0.00 O ATOM 799 CB GLU A 52 0.679 38.829 6.608 1.00 0.00 C ATOM 800 CG GLU A 52 2.173 38.771 6.935 1.00 0.00 C ATOM 801 CD GLU A 52 2.614 37.310 7.049 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.754 36.446 6.992 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.803 37.080 7.192 1.00 0.00 O ATOM 0 H GLU A 52 1.303 40.495 4.584 1.00 0.00 H new ATOM 0 HA GLU A 52 0.712 37.564 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.270 39.797 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.141 38.072 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.746 39.275 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.372 39.296 7.869 1.00 0.00 H new ATOM 810 N GLU A 53 -1.199 39.588 3.658 1.00 0.00 N ATOM 811 CA GLU A 53 -2.595 39.907 3.248 1.00 0.00 C ATOM 812 C GLU A 53 -2.920 39.188 1.938 1.00 0.00 C ATOM 813 O GLU A 53 -2.350 39.471 0.903 1.00 0.00 O ATOM 814 CB GLU A 53 -2.737 41.417 3.050 1.00 0.00 C ATOM 815 CG GLU A 53 -2.393 42.139 4.356 1.00 0.00 C ATOM 816 CD GLU A 53 -2.802 43.609 4.248 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.205 44.014 3.170 1.00 0.00 O ATOM 818 OE2 GLU A 53 -2.703 44.305 5.245 1.00 0.00 O ATOM 0 H GLU A 53 -0.472 39.947 3.039 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.285 39.576 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.076 41.753 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.755 41.660 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.909 41.667 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.324 42.061 4.557 1.00 0.00 H new ATOM 825 N TRP A 54 -3.834 38.259 1.975 1.00 0.00 N ATOM 826 CA TRP A 54 -4.200 37.520 0.735 1.00 0.00 C ATOM 827 C TRP A 54 -5.158 38.366 -0.104 1.00 0.00 C ATOM 828 O TRP A 54 -6.235 38.723 0.330 1.00 0.00 O ATOM 829 CB TRP A 54 -4.878 36.201 1.109 1.00 0.00 C ATOM 830 CG TRP A 54 -3.835 35.178 1.426 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.247 35.017 2.632 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.250 34.176 0.546 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.337 33.979 2.551 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.303 33.428 1.284 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.447 33.846 -0.807 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.576 32.390 0.700 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.718 32.801 -1.398 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.784 32.075 -0.645 1.00 0.00 C ATOM 0 H TRP A 54 -4.344 37.979 2.813 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.299 37.315 0.157 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.533 36.347 1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.504 35.855 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.454 35.603 3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.762 33.659 3.330 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.164 34.400 -1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.857 31.834 1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.878 32.555 -2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.226 31.273 -1.105 1.00 0.00 H new ATOM 849 N GLU A 55 -4.769 38.686 -1.309 1.00 0.00 N ATOM 850 CA GLU A 55 -5.644 39.505 -2.191 1.00 0.00 C ATOM 851 C GLU A 55 -6.442 38.581 -3.112 1.00 0.00 C ATOM 852 O GLU A 55 -5.894 37.709 -3.753 1.00 0.00 O ATOM 853 CB GLU A 55 -4.777 40.438 -3.038 1.00 0.00 C ATOM 854 CG GLU A 55 -4.386 41.664 -2.210 1.00 0.00 C ATOM 855 CD GLU A 55 -5.421 42.771 -2.417 1.00 0.00 C ATOM 856 OE1 GLU A 55 -6.047 42.781 -3.465 1.00 0.00 O ATOM 857 OE2 GLU A 55 -5.572 43.588 -1.525 1.00 0.00 O ATOM 0 H GLU A 55 -3.877 38.413 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.329 40.094 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.883 39.914 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.321 40.747 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.327 41.399 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.398 42.016 -2.506 1.00 0.00 H new ATOM 864 N PRO A 56 -7.765 38.778 -3.177 1.00 0.00 N ATOM 865 CA PRO A 56 -8.646 37.959 -4.021 1.00 0.00 C ATOM 866 C PRO A 56 -8.416 38.224 -5.512 1.00 0.00 C ATOM 867 O PRO A 56 -8.063 39.316 -5.912 1.00 0.00 O ATOM 868 CB PRO A 56 -10.049 38.414 -3.620 1.00 0.00 C ATOM 869 CG PRO A 56 -9.859 39.797 -3.096 1.00 0.00 C ATOM 870 CD PRO A 56 -8.509 39.811 -2.435 1.00 0.00 C ATOM 0 HA PRO A 56 -8.471 36.892 -3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.728 38.403 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.477 37.758 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.906 40.529 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.644 40.056 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.031 40.787 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.577 39.575 -1.373 1.00 0.00 H new ATOM 878 N LEU A 57 -8.623 37.236 -6.340 1.00 0.00 N ATOM 879 CA LEU A 57 -8.429 37.431 -7.805 1.00 0.00 C ATOM 880 C LEU A 57 -9.801 37.609 -8.459 1.00 0.00 C ATOM 881 O LEU A 57 -10.784 37.063 -8.000 1.00 0.00 O ATOM 882 CB LEU A 57 -7.756 36.188 -8.402 1.00 0.00 C ATOM 883 CG LEU A 57 -6.262 36.166 -8.063 1.00 0.00 C ATOM 884 CD1 LEU A 57 -5.467 36.740 -9.238 1.00 0.00 C ATOM 885 CD2 LEU A 57 -6.000 36.995 -6.804 1.00 0.00 C ATOM 0 H LEU A 57 -8.919 36.300 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.804 38.307 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.235 35.288 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.889 36.181 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.948 35.138 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.404 36.726 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.647 36.138 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.783 37.766 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.936 36.974 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.314 38.025 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.563 36.577 -5.970 1.00 0.00 H new ATOM 897 N THR A 58 -9.885 38.354 -9.525 1.00 0.00 N ATOM 898 CA THR A 58 -11.210 38.530 -10.181 1.00 0.00 C ATOM 899 C THR A 58 -11.270 37.642 -11.425 1.00 0.00 C ATOM 900 O THR A 58 -10.406 37.696 -12.277 1.00 0.00 O ATOM 901 CB THR A 58 -11.403 39.997 -10.579 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.163 40.826 -9.451 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.834 40.208 -11.077 1.00 0.00 C ATOM 0 H THR A 58 -9.106 38.843 -9.966 1.00 0.00 H new ATOM 0 HA THR A 58 -12.003 38.247 -9.489 1.00 0.00 H new ATOM 0 HB THR A 58 -10.704 40.255 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.284 41.765 -9.704 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.971 41.252 -11.360 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.016 39.571 -11.942 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.537 39.952 -10.284 1.00 0.00 H new ATOM 911 N LYS A 59 -12.276 36.819 -11.537 1.00 0.00 N ATOM 912 CA LYS A 59 -12.372 35.930 -12.728 1.00 0.00 C ATOM 913 C LYS A 59 -12.702 36.774 -13.959 1.00 0.00 C ATOM 914 O LYS A 59 -13.797 37.286 -14.089 1.00 0.00 O ATOM 915 CB LYS A 59 -13.478 34.898 -12.501 1.00 0.00 C ATOM 916 CG LYS A 59 -13.402 33.817 -13.581 1.00 0.00 C ATOM 917 CD LYS A 59 -14.424 32.721 -13.275 1.00 0.00 C ATOM 918 CE LYS A 59 -13.949 31.397 -13.877 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.764 31.080 -15.083 1.00 0.00 N ATOM 0 H LYS A 59 -13.032 36.724 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.424 35.416 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.372 34.448 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.453 35.384 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.601 34.252 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.398 33.394 -13.618 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.551 32.618 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.397 32.991 -13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.895 31.464 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.041 30.597 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.442 30.180 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.765 30.999 -14.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.655 31.839 -15.785 1.00 0.00 H new ATOM 933 N LYS A 60 -11.775 36.939 -14.864 1.00 0.00 N ATOM 934 CA LYS A 60 -12.070 37.765 -16.066 1.00 0.00 C ATOM 935 C LYS A 60 -11.870 36.932 -17.335 1.00 0.00 C ATOM 936 O LYS A 60 -10.931 36.174 -17.443 1.00 0.00 O ATOM 937 CB LYS A 60 -11.127 38.969 -16.096 1.00 0.00 C ATOM 938 CG LYS A 60 -11.496 39.935 -14.969 1.00 0.00 C ATOM 939 CD LYS A 60 -10.995 41.338 -15.315 1.00 0.00 C ATOM 940 CE LYS A 60 -11.443 42.321 -14.231 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.457 42.308 -13.112 1.00 0.00 N ATOM 0 H LYS A 60 -10.836 36.542 -14.823 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.104 38.106 -16.022 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.095 38.638 -15.982 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.196 39.474 -17.059 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.577 39.948 -14.826 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.054 39.601 -14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.908 41.338 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.386 41.646 -16.285 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.525 43.325 -14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.432 42.047 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.948 42.495 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.995 41.377 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.739 43.043 -13.273 1.00 0.00 H new ATOM 955 N GLY A 61 -12.732 37.078 -18.298 1.00 0.00 N ATOM 956 CA GLY A 61 -12.581 36.306 -19.567 1.00 0.00 C ATOM 957 C GLY A 61 -12.090 34.881 -19.279 1.00 0.00 C ATOM 958 O GLY A 61 -11.174 34.394 -19.911 1.00 0.00 O ATOM 0 H GLY A 61 -13.539 37.700 -18.264 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.536 36.268 -20.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.876 36.813 -20.225 1.00 0.00 H new ATOM 962 N ASN A 62 -12.702 34.204 -18.346 1.00 0.00 N ATOM 963 CA ASN A 62 -12.287 32.801 -18.034 1.00 0.00 C ATOM 964 C ASN A 62 -10.895 32.771 -17.389 1.00 0.00 C ATOM 965 O ASN A 62 -10.301 31.722 -17.238 1.00 0.00 O ATOM 966 CB ASN A 62 -12.265 31.979 -19.323 1.00 0.00 C ATOM 967 CG ASN A 62 -13.664 31.967 -19.945 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.613 32.425 -19.341 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.831 31.460 -21.135 1.00 0.00 N ATOM 0 H ASN A 62 -13.474 34.561 -17.783 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.004 32.377 -17.331 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.547 32.403 -20.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.941 30.960 -19.112 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.759 31.448 -21.559 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.034 31.075 -21.642 1.00 0.00 H new ATOM 976 N VAL A 63 -10.373 33.898 -16.993 1.00 0.00 N ATOM 977 CA VAL A 63 -9.028 33.905 -16.344 1.00 0.00 C ATOM 978 C VAL A 63 -9.114 34.679 -15.030 1.00 0.00 C ATOM 979 O VAL A 63 -10.166 35.152 -14.648 1.00 0.00 O ATOM 980 CB VAL A 63 -7.997 34.569 -17.264 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.829 33.732 -18.532 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.465 35.976 -17.638 1.00 0.00 C ATOM 0 H VAL A 63 -10.815 34.812 -17.089 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.716 32.878 -16.153 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.042 34.636 -16.743 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.096 34.205 -19.186 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.486 32.732 -18.265 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.785 33.661 -19.051 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.728 36.443 -18.292 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.423 35.915 -18.155 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.578 36.574 -16.734 1.00 0.00 H new ATOM 992 N TRP A 64 -8.023 34.817 -14.330 1.00 0.00 N ATOM 993 CA TRP A 64 -8.069 35.566 -13.044 1.00 0.00 C ATOM 994 C TRP A 64 -7.074 36.725 -13.089 1.00 0.00 C ATOM 995 O TRP A 64 -5.985 36.605 -13.614 1.00 0.00 O ATOM 996 CB TRP A 64 -7.712 34.631 -11.888 1.00 0.00 C ATOM 997 CG TRP A 64 -8.826 33.658 -11.673 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.035 32.541 -12.408 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.884 33.696 -10.674 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.154 31.889 -11.920 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.712 32.563 -10.851 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.201 34.594 -9.641 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.816 32.329 -10.030 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.310 34.364 -8.813 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.116 33.233 -9.006 1.00 0.00 C ATOM 0 H TRP A 64 -7.109 34.447 -14.590 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.075 35.957 -12.893 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.787 34.098 -12.109 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.538 35.208 -10.980 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.428 32.212 -13.239 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.522 31.018 -12.303 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.586 35.468 -9.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.434 31.457 -10.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.544 35.062 -8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.968 33.060 -8.365 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.442 37.847 -12.538 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.526 39.018 -12.542 1.00 0.00 C ATOM 1018 C GLU A 65 -6.392 39.557 -11.117 1.00 0.00 C ATOM 1019 O GLU A 65 -7.343 39.587 -10.362 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.098 40.109 -13.449 1.00 0.00 C ATOM 1021 CG GLU A 65 -6.300 41.400 -13.260 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.787 42.452 -14.259 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.862 42.268 -14.805 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -6.076 43.422 -14.461 1.00 0.00 O ATOM 0 H GLU A 65 -8.342 38.003 -12.083 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.546 38.716 -12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.054 39.791 -14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.148 40.280 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.419 41.768 -12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.237 41.208 -13.407 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.220 39.988 -10.745 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.028 40.530 -9.372 1.00 0.00 C ATOM 1033 C VAL A 66 -4.188 41.803 -9.449 1.00 0.00 C ATOM 1034 O VAL A 66 -3.193 41.862 -10.143 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.311 39.498 -8.502 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.145 38.899 -9.286 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.779 40.175 -7.236 1.00 0.00 C ATOM 0 H VAL A 66 -4.386 39.988 -11.333 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.999 40.755 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.009 38.709 -8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.631 38.162 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.522 38.417 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.448 39.690 -9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.268 39.438 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.080 40.964 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.610 40.605 -6.677 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.584 42.822 -8.744 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.808 44.093 -8.781 1.00 0.00 C ATOM 1049 C LYS A 67 -3.366 44.473 -7.367 1.00 0.00 C ATOM 1050 O LYS A 67 -4.137 44.433 -6.429 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.678 45.209 -9.362 1.00 0.00 C ATOM 1052 CG LYS A 67 -3.966 46.552 -9.191 1.00 0.00 C ATOM 1053 CD LYS A 67 -4.620 47.596 -10.097 1.00 0.00 C ATOM 1054 CE LYS A 67 -5.918 48.088 -9.455 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.948 47.013 -9.530 1.00 0.00 N ATOM 0 H LYS A 67 -5.409 42.832 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.927 43.956 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.873 45.020 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.644 45.231 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.019 46.874 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.910 46.450 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.940 48.433 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.827 47.165 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.740 48.364 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.273 48.983 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.857 47.423 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.652 46.296 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.054 46.568 -8.596 1.00 0.00 H new ATOM 1069 N SER A 68 -2.123 44.841 -7.212 1.00 0.00 N ATOM 1070 CA SER A 68 -1.609 45.226 -5.869 1.00 0.00 C ATOM 1071 C SER A 68 -1.159 46.686 -5.904 1.00 0.00 C ATOM 1072 O SER A 68 -0.699 47.178 -6.916 1.00 0.00 O ATOM 1073 CB SER A 68 -0.418 44.337 -5.512 1.00 0.00 C ATOM 1074 OG SER A 68 0.033 44.654 -4.203 1.00 0.00 O ATOM 0 H SER A 68 -1.437 44.891 -7.965 1.00 0.00 H new ATOM 0 HA SER A 68 -2.394 45.102 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.705 43.287 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.388 44.484 -6.231 1.00 0.00 H new ATOM 0 HG SER A 68 0.796 44.083 -3.973 1.00 0.00 H new ATOM 1080 N SER A 69 -1.282 47.385 -4.811 1.00 0.00 N ATOM 1081 CA SER A 69 -0.854 48.811 -4.794 1.00 0.00 C ATOM 1082 C SER A 69 0.676 48.882 -4.810 1.00 0.00 C ATOM 1083 O SER A 69 1.258 49.946 -4.882 1.00 0.00 O ATOM 1084 CB SER A 69 -1.383 49.492 -3.530 1.00 0.00 C ATOM 1085 OG SER A 69 -0.724 48.956 -2.393 1.00 0.00 O ATOM 0 H SER A 69 -1.659 47.032 -3.931 1.00 0.00 H new ATOM 0 HA SER A 69 -1.253 49.320 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.216 50.568 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.459 49.340 -3.445 1.00 0.00 H new ATOM 0 HG SER A 69 -1.061 49.393 -1.583 1.00 0.00 H new ATOM 1091 N LYS A 70 1.329 47.754 -4.745 1.00 0.00 N ATOM 1092 CA LYS A 70 2.820 47.752 -4.757 1.00 0.00 C ATOM 1093 C LYS A 70 3.315 46.728 -5.782 1.00 0.00 C ATOM 1094 O LYS A 70 2.535 46.020 -6.388 1.00 0.00 O ATOM 1095 CB LYS A 70 3.336 47.376 -3.365 1.00 0.00 C ATOM 1096 CG LYS A 70 3.922 48.615 -2.686 1.00 0.00 C ATOM 1097 CD LYS A 70 3.761 48.490 -1.170 1.00 0.00 C ATOM 1098 CE LYS A 70 2.821 49.586 -0.665 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.574 50.865 -0.537 1.00 0.00 N ATOM 0 H LYS A 70 0.895 46.833 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 70 3.188 48.742 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.524 46.968 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.096 46.599 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.976 48.719 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.416 49.512 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.362 47.508 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.732 48.576 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.986 49.710 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.399 49.302 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.936 51.611 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.356 50.741 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.957 51.137 -1.465 1.00 0.00 H new ATOM 1113 N PRO A 71 4.641 46.651 -5.980 1.00 0.00 N ATOM 1114 CA PRO A 71 5.243 45.711 -6.936 1.00 0.00 C ATOM 1115 C PRO A 71 5.089 44.259 -6.476 1.00 0.00 C ATOM 1116 O PRO A 71 5.210 43.950 -5.308 1.00 0.00 O ATOM 1117 CB PRO A 71 6.719 46.109 -6.947 1.00 0.00 C ATOM 1118 CG PRO A 71 6.939 46.763 -5.625 1.00 0.00 C ATOM 1119 CD PRO A 71 5.655 47.468 -5.293 1.00 0.00 C ATOM 0 HA PRO A 71 4.770 45.761 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.364 45.239 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.940 46.790 -7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.188 46.026 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.770 47.467 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.482 47.506 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.655 48.497 -5.652 1.00 0.00 H new ATOM 1127 N LEU A 72 4.817 43.366 -7.388 1.00 0.00 N ATOM 1128 CA LEU A 72 4.648 41.935 -7.006 1.00 0.00 C ATOM 1129 C LEU A 72 6.013 41.313 -6.708 1.00 0.00 C ATOM 1130 O LEU A 72 6.980 41.540 -7.408 1.00 0.00 O ATOM 1131 CB LEU A 72 3.977 41.176 -8.152 1.00 0.00 C ATOM 1132 CG LEU A 72 2.748 41.951 -8.627 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.385 41.512 -10.047 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.573 41.667 -7.689 1.00 0.00 C ATOM 0 H LEU A 72 4.704 43.566 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 72 4.024 41.872 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.679 41.046 -8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.686 40.179 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 72 2.967 43.019 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.509 42.065 -10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.222 41.714 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.165 40.444 -10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.696 42.219 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.354 40.599 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.831 41.980 -6.677 1.00 0.00 H new ATOM 1146 N VAL A 73 6.093 40.526 -5.670 1.00 0.00 N ATOM 1147 CA VAL A 73 7.385 39.879 -5.313 1.00 0.00 C ATOM 1148 C VAL A 73 7.194 38.362 -5.266 1.00 0.00 C ATOM 1149 O VAL A 73 6.337 37.856 -4.569 1.00 0.00 O ATOM 1150 CB VAL A 73 7.841 40.377 -3.940 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.313 40.017 -3.729 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.672 41.895 -3.868 1.00 0.00 C ATOM 0 H VAL A 73 5.314 40.303 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 73 8.139 40.130 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 73 7.238 39.906 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.638 40.372 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.434 38.935 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.917 40.487 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.996 42.251 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.275 42.365 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.623 42.152 -4.018 1.00 0.00 H new ATOM 1162 N GLY A 74 7.985 37.632 -6.003 1.00 0.00 N ATOM 1163 CA GLY A 74 7.847 36.148 -5.999 1.00 0.00 C ATOM 1164 C GLY A 74 8.800 35.549 -4.962 1.00 0.00 C ATOM 1165 O GLY A 74 9.698 36.209 -4.479 1.00 0.00 O ATOM 0 H GLY A 74 8.720 37.998 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.819 35.868 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.071 35.749 -6.988 1.00 0.00 H new ATOM 1169 N PRO A 75 8.594 34.270 -4.617 1.00 0.00 N ATOM 1170 CA PRO A 75 7.515 33.456 -5.189 1.00 0.00 C ATOM 1171 C PRO A 75 6.136 33.913 -4.703 1.00 0.00 C ATOM 1172 O PRO A 75 5.972 34.361 -3.586 1.00 0.00 O ATOM 1173 CB PRO A 75 7.816 32.048 -4.679 1.00 0.00 C ATOM 1174 CG PRO A 75 8.599 32.263 -3.428 1.00 0.00 C ATOM 1175 CD PRO A 75 9.400 33.515 -3.640 1.00 0.00 C ATOM 0 HA PRO A 75 7.482 33.528 -6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.899 31.493 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.386 31.474 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.937 32.366 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.252 31.413 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.532 34.071 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.396 33.295 -4.024 1.00 0.00 H new ATOM 1183 N PHE A 76 5.148 33.813 -5.550 1.00 0.00 N ATOM 1184 CA PHE A 76 3.775 34.250 -5.169 1.00 0.00 C ATOM 1185 C PHE A 76 2.987 33.077 -4.578 1.00 0.00 C ATOM 1186 O PHE A 76 3.205 31.932 -4.923 1.00 0.00 O ATOM 1187 CB PHE A 76 3.052 34.749 -6.421 1.00 0.00 C ATOM 1188 CG PHE A 76 3.818 35.904 -7.020 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.824 37.148 -6.376 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.519 35.732 -8.220 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.534 38.219 -6.932 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.228 36.804 -8.775 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.236 38.047 -8.131 1.00 0.00 C ATOM 0 H PHE A 76 5.234 33.444 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 76 3.846 35.043 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.963 33.942 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.039 35.063 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.282 37.281 -5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.513 34.773 -8.717 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.540 39.178 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.769 36.672 -9.700 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.784 38.873 -8.559 1.00 0.00 H new ATOM 1203 N ASN A 77 2.058 33.359 -3.704 1.00 0.00 N ATOM 1204 CA ASN A 77 1.238 32.266 -3.106 1.00 0.00 C ATOM 1205 C ASN A 77 -0.194 32.382 -3.633 1.00 0.00 C ATOM 1206 O ASN A 77 -0.710 33.468 -3.810 1.00 0.00 O ATOM 1207 CB ASN A 77 1.232 32.401 -1.583 1.00 0.00 C ATOM 1208 CG ASN A 77 2.616 32.838 -1.101 1.00 0.00 C ATOM 1209 OD1 ASN A 77 2.865 34.109 -0.947 1.00 0.00 O flip ATOM 1210 ND2 ASN A 77 3.478 32.016 -0.863 1.00 0.00 N flip ATOM 0 H ASN A 77 1.832 34.299 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 77 1.659 31.298 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.482 33.130 -1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.960 31.450 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.282 31.022 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.398 32.319 -0.542 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.845 31.280 -3.891 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.242 31.354 -4.412 1.00 0.00 C ATOM 1219 C PHE A 78 -3.140 30.382 -3.641 1.00 0.00 C ATOM 1220 O PHE A 78 -2.851 29.206 -3.539 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.254 30.968 -5.893 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.553 32.027 -6.710 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.166 31.967 -6.892 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.291 33.063 -7.292 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.483 32.944 -7.657 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.643 34.041 -8.056 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.256 33.982 -8.239 1.00 0.00 C ATOM 0 H PHE A 78 -0.474 30.338 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.613 32.371 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.761 30.006 -6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.281 30.852 -6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.403 31.167 -6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.361 33.108 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.553 32.897 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.213 34.841 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.244 34.736 -8.829 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.239 30.854 -3.112 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.157 29.943 -2.371 1.00 0.00 C ATOM 1239 C ARG A 79 -6.441 29.772 -3.188 1.00 0.00 C ATOM 1240 O ARG A 79 -6.893 30.687 -3.846 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.482 30.527 -0.996 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.440 29.592 -0.256 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.802 30.201 1.099 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.248 29.123 2.026 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.404 29.378 3.295 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.838 30.549 3.677 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.129 28.463 4.183 1.00 0.00 N ATOM 0 H ARG A 79 -4.539 31.828 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.679 28.974 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.566 30.657 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.933 31.513 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.341 29.435 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.976 28.616 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.941 30.721 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.593 30.941 0.977 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.431 28.186 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.055 31.264 2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.960 30.749 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.792 27.548 3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.251 28.663 5.176 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.009 28.596 -3.184 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.236 28.361 -3.999 1.00 0.00 C ATOM 1263 C PHE A 80 -9.386 27.825 -3.145 1.00 0.00 C ATOM 1264 O PHE A 80 -9.196 27.030 -2.250 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.913 27.316 -5.063 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.257 27.986 -6.243 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.051 28.675 -6.070 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.851 27.920 -7.508 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.440 29.296 -7.162 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.238 28.542 -8.602 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.031 29.229 -8.428 1.00 0.00 C ATOM 0 H PHE A 80 -6.678 27.790 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.541 29.310 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.252 26.554 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.825 26.810 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.593 28.726 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.782 27.389 -7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.510 29.829 -7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.696 28.492 -9.579 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.556 29.708 -9.272 1.00 0.00 H new ATOM 1281 N MET A 81 -10.588 28.232 -3.449 1.00 0.00 N ATOM 1282 CA MET A 81 -11.768 27.722 -2.696 1.00 0.00 C ATOM 1283 C MET A 81 -12.760 27.152 -3.710 1.00 0.00 C ATOM 1284 O MET A 81 -13.158 27.817 -4.646 1.00 0.00 O ATOM 1285 CB MET A 81 -12.417 28.854 -1.896 1.00 0.00 C ATOM 1286 CG MET A 81 -13.828 28.440 -1.475 1.00 0.00 C ATOM 1287 SD MET A 81 -14.458 29.604 -0.243 1.00 0.00 S ATOM 1288 CE MET A 81 -15.034 28.376 0.954 1.00 0.00 C ATOM 0 H MET A 81 -10.804 28.899 -4.190 1.00 0.00 H new ATOM 0 HA MET A 81 -11.462 26.949 -1.991 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.816 29.082 -1.016 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.458 29.762 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.487 28.421 -2.343 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.814 27.431 -1.063 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.034 28.813 1.952 1.00 0.00 H new ATOM 0 HE2 MET A 81 -16.045 28.062 0.695 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.370 27.512 0.936 1.00 0.00 H new ATOM 1298 N SER A 82 -13.142 25.913 -3.549 1.00 0.00 N ATOM 1299 CA SER A 82 -14.080 25.295 -4.525 1.00 0.00 C ATOM 1300 C SER A 82 -15.503 25.780 -4.262 1.00 0.00 C ATOM 1301 O SER A 82 -15.881 26.028 -3.133 1.00 0.00 O ATOM 1302 CB SER A 82 -14.033 23.774 -4.385 1.00 0.00 C ATOM 1303 OG SER A 82 -14.815 23.380 -3.267 1.00 0.00 O ATOM 0 H SER A 82 -12.845 25.305 -2.786 1.00 0.00 H new ATOM 0 HA SER A 82 -13.783 25.583 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.411 23.302 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.003 23.441 -4.258 1.00 0.00 H new ATOM 0 HG SER A 82 -15.535 22.785 -3.565 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.294 25.898 -5.291 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.700 26.354 -5.103 1.00 0.00 C ATOM 1311 C LYS A 83 -18.326 25.581 -3.940 1.00 0.00 C ATOM 1312 O LYS A 83 -18.966 26.147 -3.077 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.501 26.097 -6.380 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.875 26.871 -7.542 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.658 26.586 -8.825 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.057 27.395 -9.977 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.152 28.030 -10.763 1.00 0.00 N ATOM 0 H LYS A 83 -16.028 25.698 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.712 27.422 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.514 25.031 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.537 26.406 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.884 27.940 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.832 26.580 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.623 25.521 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.707 26.849 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.385 28.159 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.463 26.746 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.744 28.580 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.777 27.292 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.701 28.662 -10.146 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.143 24.287 -3.910 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.721 23.473 -2.802 1.00 0.00 C ATOM 1333 C GLY A 84 -18.149 23.947 -1.462 1.00 0.00 C ATOM 1334 O GLY A 84 -18.589 23.535 -0.408 1.00 0.00 O ATOM 0 H GLY A 84 -17.617 23.759 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.807 23.565 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.491 22.418 -2.954 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.176 24.816 -1.497 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.583 25.324 -0.229 1.00 0.00 C ATOM 1340 C GLY A 85 -15.296 24.560 0.085 1.00 0.00 C ATOM 1341 O GLY A 85 -14.971 24.321 1.232 1.00 0.00 O ATOM 0 H GLY A 85 -16.766 25.196 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.372 26.390 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.295 25.207 0.588 1.00 0.00 H new ATOM 1345 N MET A 86 -14.551 24.180 -0.918 1.00 0.00 N ATOM 1346 CA MET A 86 -13.280 23.439 -0.653 1.00 0.00 C ATOM 1347 C MET A 86 -12.100 24.394 -0.833 1.00 0.00 C ATOM 1348 O MET A 86 -11.796 24.824 -1.926 1.00 0.00 O ATOM 1349 CB MET A 86 -13.146 22.264 -1.625 1.00 0.00 C ATOM 1350 CG MET A 86 -14.408 21.401 -1.559 1.00 0.00 C ATOM 1351 SD MET A 86 -14.313 20.302 -0.125 1.00 0.00 S ATOM 1352 CE MET A 86 -12.769 19.473 -0.576 1.00 0.00 C ATOM 0 H MET A 86 -14.763 24.348 -1.902 1.00 0.00 H new ATOM 0 HA MET A 86 -13.290 23.052 0.366 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.997 22.633 -2.640 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.270 21.667 -1.372 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.292 22.035 -1.487 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.509 20.816 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.918 18.393 -0.562 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.467 19.785 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 86 -11.990 19.741 0.138 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.439 24.739 0.236 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.292 25.681 0.128 1.00 0.00 C ATOM 1364 C ARG A 87 -8.983 24.911 -0.062 1.00 0.00 C ATOM 1365 O ARG A 87 -8.743 23.898 0.565 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.205 26.519 1.405 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.547 27.215 1.647 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.473 28.038 2.934 1.00 0.00 C ATOM 1369 NE ARG A 87 -12.792 28.683 3.186 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.845 29.872 3.722 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.619 30.024 4.998 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -13.126 30.909 2.982 1.00 0.00 N ATOM 0 H ARG A 87 -11.644 24.409 1.179 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.448 26.329 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.954 25.883 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.410 27.259 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.790 27.861 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.344 26.475 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.203 27.397 3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.695 28.797 2.849 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.654 28.196 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.401 29.213 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.661 30.953 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.304 30.791 1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.167 31.838 3.401 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.127 25.407 -0.913 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.816 24.744 -1.147 1.00 0.00 C ATOM 1388 C ASN A 88 -5.743 25.830 -1.211 1.00 0.00 C ATOM 1389 O ASN A 88 -5.969 26.902 -1.733 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.853 23.970 -2.467 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.083 23.060 -2.491 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.914 23.165 -3.371 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -8.235 22.164 -1.554 1.00 0.00 N ATOM 0 H ASN A 88 -8.283 26.253 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.597 24.043 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.884 24.664 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.946 23.376 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.051 21.552 -1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.538 22.076 -0.815 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.584 25.581 -0.670 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.528 26.630 -0.698 1.00 0.00 C ATOM 1402 C VAL A 89 -2.275 26.108 -1.398 1.00 0.00 C ATOM 1403 O VAL A 89 -1.833 25.001 -1.167 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.176 27.030 0.736 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.399 28.349 0.721 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.460 27.204 1.548 1.00 0.00 C ATOM 0 H VAL A 89 -4.324 24.706 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.904 27.494 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.563 26.251 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.148 28.635 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.483 28.225 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.012 29.127 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.209 27.489 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.074 27.982 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.014 26.265 1.559 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.691 26.913 -2.243 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.452 26.486 -2.951 1.00 0.00 C ATOM 1418 C PHE A 90 0.640 27.520 -2.681 1.00 0.00 C ATOM 1419 O PHE A 90 0.482 28.690 -2.966 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.712 26.402 -4.457 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.913 25.527 -4.722 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.749 24.150 -4.912 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.192 26.095 -4.782 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.863 23.340 -5.164 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.306 25.285 -5.033 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.142 23.907 -5.223 1.00 0.00 C ATOM 0 H PHE A 90 -2.020 27.851 -2.474 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.142 25.504 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.881 27.400 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.163 25.997 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.763 23.712 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.319 27.157 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.736 22.278 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.292 25.723 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.002 23.282 -5.415 1.00 0.00 H new ATOM 1436 N ASP A 91 1.745 27.103 -2.131 1.00 0.00 N ATOM 1437 CA ASP A 91 2.834 28.074 -1.843 1.00 0.00 C ATOM 1438 C ASP A 91 3.866 28.041 -2.970 1.00 0.00 C ATOM 1439 O ASP A 91 4.141 27.008 -3.549 1.00 0.00 O ATOM 1440 CB ASP A 91 3.511 27.711 -0.518 1.00 0.00 C ATOM 1441 CG ASP A 91 2.464 27.686 0.597 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.723 28.650 0.709 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.421 26.705 1.320 1.00 0.00 O ATOM 0 H ASP A 91 1.940 26.137 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 91 2.411 29.076 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.995 26.738 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.290 28.437 -0.284 1.00 0.00 H new ATOM 1448 N GLU A 92 4.442 29.169 -3.279 1.00 0.00 N ATOM 1449 CA GLU A 92 5.464 29.224 -4.359 1.00 0.00 C ATOM 1450 C GLU A 92 4.904 28.627 -5.652 1.00 0.00 C ATOM 1451 O GLU A 92 5.495 27.740 -6.236 1.00 0.00 O ATOM 1452 CB GLU A 92 6.698 28.428 -3.929 1.00 0.00 C ATOM 1453 CG GLU A 92 6.964 28.662 -2.442 1.00 0.00 C ATOM 1454 CD GLU A 92 8.346 28.114 -2.080 1.00 0.00 C ATOM 1455 OE1 GLU A 92 9.123 27.872 -2.988 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.604 27.947 -0.898 1.00 0.00 O ATOM 0 H GLU A 92 4.246 30.062 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 92 5.735 30.265 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.543 27.366 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.564 28.734 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.912 29.727 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.198 28.171 -1.843 1.00 0.00 H new ATOM 1463 N VAL A 93 3.781 29.104 -6.119 1.00 0.00 N ATOM 1464 CA VAL A 93 3.216 28.555 -7.385 1.00 0.00 C ATOM 1465 C VAL A 93 3.905 29.228 -8.573 1.00 0.00 C ATOM 1466 O VAL A 93 4.121 28.621 -9.604 1.00 0.00 O ATOM 1467 CB VAL A 93 1.712 28.833 -7.444 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.144 28.283 -8.754 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.014 28.152 -6.264 1.00 0.00 C ATOM 0 H VAL A 93 3.234 29.845 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 93 3.383 27.478 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 93 1.542 29.909 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.073 28.480 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.637 28.768 -9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.317 27.208 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.056 28.352 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.184 27.076 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.417 28.542 -5.329 1.00 0.00 H new ATOM 1479 N ILE A 94 4.256 30.478 -8.438 1.00 0.00 N ATOM 1480 CA ILE A 94 4.934 31.188 -9.558 1.00 0.00 C ATOM 1481 C ILE A 94 6.112 31.990 -9.003 1.00 0.00 C ATOM 1482 O ILE A 94 5.957 32.800 -8.110 1.00 0.00 O ATOM 1483 CB ILE A 94 3.941 32.132 -10.239 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.786 31.317 -10.825 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.650 32.894 -11.360 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.897 32.224 -11.679 1.00 0.00 C ATOM 0 H ILE A 94 4.102 31.038 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 94 5.298 30.464 -10.287 1.00 0.00 H new ATOM 0 HB ILE A 94 3.552 32.841 -9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.176 30.499 -11.431 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.200 30.869 -10.022 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.943 33.567 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.474 33.473 -10.942 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.039 32.186 -12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.075 31.641 -12.095 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.496 33.027 -11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.486 32.651 -12.491 1.00 0.00 H new ATOM 1498 N PRO A 95 7.319 31.750 -9.539 1.00 0.00 N ATOM 1499 CA PRO A 95 8.535 32.440 -9.091 1.00 0.00 C ATOM 1500 C PRO A 95 8.531 33.921 -9.483 1.00 0.00 C ATOM 1501 O PRO A 95 7.785 34.347 -10.342 1.00 0.00 O ATOM 1502 CB PRO A 95 9.655 31.703 -9.823 1.00 0.00 C ATOM 1503 CG PRO A 95 8.997 31.125 -11.031 1.00 0.00 C ATOM 1504 CD PRO A 95 7.590 30.788 -10.621 1.00 0.00 C ATOM 0 HA PRO A 95 8.637 32.425 -8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.463 32.381 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.092 30.924 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.002 31.838 -11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.526 30.236 -11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.890 30.904 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.507 29.758 -10.275 1.00 0.00 H new ATOM 1512 N THR A 96 9.358 34.708 -8.850 1.00 0.00 N ATOM 1513 CA THR A 96 9.405 36.162 -9.171 1.00 0.00 C ATOM 1514 C THR A 96 9.612 36.359 -10.674 1.00 0.00 C ATOM 1515 O THR A 96 8.964 37.179 -11.294 1.00 0.00 O ATOM 1516 CB THR A 96 10.559 36.815 -8.408 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.615 36.283 -7.092 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.339 38.327 -8.340 1.00 0.00 C ATOM 0 H THR A 96 10.005 34.405 -8.122 1.00 0.00 H new ATOM 0 HA THR A 96 8.463 36.624 -8.876 1.00 0.00 H new ATOM 0 HB THR A 96 11.497 36.610 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.355 36.699 -6.602 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.162 38.790 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.297 38.734 -9.350 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.401 38.535 -7.825 1.00 0.00 H new ATOM 1526 N ALA A 97 10.511 35.623 -11.268 1.00 0.00 N ATOM 1527 CA ALA A 97 10.751 35.788 -12.730 1.00 0.00 C ATOM 1528 C ALA A 97 9.794 34.884 -13.510 1.00 0.00 C ATOM 1529 O ALA A 97 10.021 33.699 -13.648 1.00 0.00 O ATOM 1530 CB ALA A 97 12.196 35.409 -13.060 1.00 0.00 C ATOM 0 H ALA A 97 11.087 34.918 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 97 10.578 36.827 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.369 35.530 -14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.877 36.055 -12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.373 34.371 -12.780 1.00 0.00 H new ATOM 1536 N PHE A 98 8.723 35.431 -14.018 1.00 0.00 N ATOM 1537 CA PHE A 98 7.755 34.595 -14.782 1.00 0.00 C ATOM 1538 C PHE A 98 7.823 34.954 -16.267 1.00 0.00 C ATOM 1539 O PHE A 98 8.078 36.085 -16.633 1.00 0.00 O ATOM 1540 CB PHE A 98 6.339 34.851 -14.262 1.00 0.00 C ATOM 1541 CG PHE A 98 6.023 36.325 -14.361 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.485 36.847 -15.543 1.00 0.00 C ATOM 1543 CD2 PHE A 98 6.267 37.168 -13.270 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.191 38.213 -15.634 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.973 38.534 -13.362 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.435 39.057 -14.544 1.00 0.00 C ATOM 0 H PHE A 98 8.477 36.418 -13.937 1.00 0.00 H new ATOM 0 HA PHE A 98 8.008 33.543 -14.653 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.618 34.274 -14.841 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.255 34.519 -13.227 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.297 36.197 -16.384 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.682 36.765 -12.358 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.776 38.616 -16.546 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.161 39.184 -12.521 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.208 40.111 -14.615 1.00 0.00 H new ATOM 1556 N SER A 99 7.593 33.999 -17.127 1.00 0.00 N ATOM 1557 CA SER A 99 7.639 34.282 -18.589 1.00 0.00 C ATOM 1558 C SER A 99 6.214 34.305 -19.142 1.00 0.00 C ATOM 1559 O SER A 99 5.270 33.957 -18.462 1.00 0.00 O ATOM 1560 CB SER A 99 8.445 33.192 -19.296 1.00 0.00 C ATOM 1561 OG SER A 99 9.832 33.432 -19.110 1.00 0.00 O ATOM 0 H SER A 99 7.375 33.034 -16.879 1.00 0.00 H new ATOM 0 HA SER A 99 8.113 35.248 -18.760 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.178 32.213 -18.899 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.207 33.181 -20.360 1.00 0.00 H new ATOM 0 HG SER A 99 10.349 32.732 -19.562 1.00 0.00 H new ATOM 1567 N ILE A 100 6.048 34.712 -20.370 1.00 0.00 N ATOM 1568 CA ILE A 100 4.678 34.753 -20.956 1.00 0.00 C ATOM 1569 C ILE A 100 4.520 33.613 -21.964 1.00 0.00 C ATOM 1570 O ILE A 100 5.409 33.334 -22.745 1.00 0.00 O ATOM 1571 CB ILE A 100 4.462 36.094 -21.660 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.448 37.220 -20.623 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.126 36.070 -22.405 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.196 37.097 -19.753 1.00 0.00 C ATOM 0 H ILE A 100 6.798 35.017 -20.991 1.00 0.00 H new ATOM 0 HA ILE A 100 3.940 34.639 -20.162 1.00 0.00 H new ATOM 0 HB ILE A 100 5.271 36.265 -22.370 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.342 37.168 -20.002 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.463 38.189 -21.122 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.972 37.025 -22.907 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.136 35.269 -23.145 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.317 35.898 -21.695 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.186 37.899 -19.015 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.308 37.171 -20.381 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.201 36.134 -19.243 1.00 0.00 H new ATOM 1586 N GLY A 101 3.397 32.950 -21.952 1.00 0.00 N ATOM 1587 CA GLY A 101 3.184 31.828 -22.909 1.00 0.00 C ATOM 1588 C GLY A 101 3.610 30.511 -22.257 1.00 0.00 C ATOM 1589 O GLY A 101 3.687 29.484 -22.902 1.00 0.00 O ATOM 0 H GLY A 101 2.618 33.136 -21.321 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.135 31.779 -23.200 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.760 31.998 -23.819 1.00 0.00 H new ATOM 1593 N LYS A 102 3.885 30.529 -20.981 1.00 0.00 N ATOM 1594 CA LYS A 102 4.302 29.273 -20.294 1.00 0.00 C ATOM 1595 C LYS A 102 3.314 28.963 -19.169 1.00 0.00 C ATOM 1596 O LYS A 102 2.808 29.854 -18.515 1.00 0.00 O ATOM 1597 CB LYS A 102 5.703 29.449 -19.707 1.00 0.00 C ATOM 1598 CG LYS A 102 6.207 28.102 -19.184 1.00 0.00 C ATOM 1599 CD LYS A 102 7.237 27.528 -20.159 1.00 0.00 C ATOM 1600 CE LYS A 102 7.997 26.386 -19.481 1.00 0.00 C ATOM 1601 NZ LYS A 102 7.198 25.131 -19.581 1.00 0.00 N ATOM 0 H LYS A 102 3.839 31.356 -20.386 1.00 0.00 H new ATOM 0 HA LYS A 102 4.312 28.452 -21.011 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.382 29.834 -20.468 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.682 30.181 -18.899 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.654 28.227 -18.198 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.373 27.409 -19.070 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.740 27.165 -21.059 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.932 28.307 -20.471 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.969 26.250 -19.955 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.183 26.629 -18.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.713 24.354 -19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.281 25.265 -19.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.042 24.898 -20.582 1.00 0.00 H new ATOM 1615 N THR A 103 3.031 27.711 -18.933 1.00 0.00 N ATOM 1616 CA THR A 103 2.073 27.368 -17.846 1.00 0.00 C ATOM 1617 C THR A 103 2.794 27.484 -16.502 1.00 0.00 C ATOM 1618 O THR A 103 3.998 27.638 -16.455 1.00 0.00 O ATOM 1619 CB THR A 103 1.575 25.934 -18.038 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.219 25.738 -19.399 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.355 25.693 -17.148 1.00 0.00 C ATOM 0 H THR A 103 3.419 26.917 -19.442 1.00 0.00 H new ATOM 0 HA THR A 103 1.222 28.048 -17.871 1.00 0.00 H new ATOM 0 HB THR A 103 2.364 25.234 -17.764 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.901 24.820 -19.525 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.001 24.671 -17.285 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.630 25.844 -16.104 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.437 26.391 -17.419 1.00 0.00 H new ATOM 1629 N TYR A 104 2.092 27.400 -15.406 1.00 0.00 N ATOM 1630 CA TYR A 104 2.778 27.498 -14.089 1.00 0.00 C ATOM 1631 C TYR A 104 1.907 26.837 -13.019 1.00 0.00 C ATOM 1632 O TYR A 104 0.977 27.427 -12.508 1.00 0.00 O ATOM 1633 CB TYR A 104 3.012 28.967 -13.738 1.00 0.00 C ATOM 1634 CG TYR A 104 4.284 29.437 -14.402 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.521 28.964 -13.950 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.227 30.340 -15.471 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.703 29.396 -14.566 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.409 30.771 -16.086 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.646 30.298 -15.634 1.00 0.00 C ATOM 1640 OH TYR A 104 7.811 30.723 -16.241 1.00 0.00 O ATOM 0 H TYR A 104 1.081 27.269 -15.365 1.00 0.00 H new ATOM 0 HA TYR A 104 3.741 26.990 -14.137 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.169 29.572 -14.071 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.085 29.088 -12.657 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.565 28.266 -13.127 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.272 30.704 -15.821 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.658 29.033 -14.216 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.366 31.469 -16.909 1.00 0.00 H new ATOM 0 HH TYR A 104 7.634 30.925 -17.184 1.00 0.00 H new ATOM 1650 N LYS A 105 2.196 25.609 -12.685 1.00 0.00 N ATOM 1651 CA LYS A 105 1.379 24.902 -11.657 1.00 0.00 C ATOM 1652 C LYS A 105 2.156 24.826 -10.341 1.00 0.00 C ATOM 1653 O LYS A 105 3.361 24.981 -10.311 1.00 0.00 O ATOM 1654 CB LYS A 105 1.067 23.486 -12.147 1.00 0.00 C ATOM 1655 CG LYS A 105 2.371 22.700 -12.293 1.00 0.00 C ATOM 1656 CD LYS A 105 2.289 21.417 -11.462 1.00 0.00 C ATOM 1657 CE LYS A 105 2.171 20.211 -12.397 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.118 20.476 -13.418 1.00 0.00 N ATOM 0 H LYS A 105 2.963 25.064 -13.079 1.00 0.00 H new ATOM 0 HA LYS A 105 0.450 25.448 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.404 22.984 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.545 23.527 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.546 22.457 -13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.213 23.307 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.175 21.320 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.429 21.458 -10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.127 20.021 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.922 19.317 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.725 19.574 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.360 21.048 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.534 20.992 -14.220 1.00 0.00 H new ATOM 1672 N PRO A 106 1.442 24.575 -9.233 1.00 0.00 N ATOM 1673 CA PRO A 106 2.053 24.472 -7.901 1.00 0.00 C ATOM 1674 C PRO A 106 2.922 23.217 -7.773 1.00 0.00 C ATOM 1675 O PRO A 106 2.603 22.171 -8.303 1.00 0.00 O ATOM 1676 CB PRO A 106 0.851 24.375 -6.963 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.244 23.823 -7.813 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.017 24.376 -9.190 1.00 0.00 C ATOM 0 HA PRO A 106 2.711 25.314 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.061 23.724 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.585 25.351 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.220 22.733 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.221 24.117 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.353 23.684 -9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.556 25.311 -9.343 1.00 0.00 H new ATOM 1686 N GLU A 107 4.020 23.314 -7.073 1.00 0.00 N ATOM 1687 CA GLU A 107 4.908 22.128 -6.915 1.00 0.00 C ATOM 1688 C GLU A 107 4.091 20.942 -6.397 1.00 0.00 C ATOM 1689 O GLU A 107 4.380 19.801 -6.694 1.00 0.00 O ATOM 1690 CB GLU A 107 6.021 22.453 -5.919 1.00 0.00 C ATOM 1691 CG GLU A 107 6.802 23.675 -6.406 1.00 0.00 C ATOM 1692 CD GLU A 107 7.887 24.027 -5.386 1.00 0.00 C ATOM 1693 OE1 GLU A 107 7.887 23.431 -4.322 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.700 24.885 -5.687 1.00 0.00 O ATOM 0 H GLU A 107 4.340 24.162 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 107 5.346 21.873 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.596 22.648 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.690 21.599 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.253 23.468 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.128 24.520 -6.542 1.00 0.00 H new ATOM 1701 N GLU A 108 3.072 21.203 -5.625 1.00 0.00 N ATOM 1702 CA GLU A 108 2.240 20.088 -5.090 1.00 0.00 C ATOM 1703 C GLU A 108 0.816 20.208 -5.636 1.00 0.00 C ATOM 1704 O GLU A 108 0.162 21.190 -5.322 1.00 0.00 O ATOM 1705 CB GLU A 108 2.209 20.161 -3.562 1.00 0.00 C ATOM 1706 CG GLU A 108 3.642 20.192 -3.025 1.00 0.00 C ATOM 1707 CD GLU A 108 4.386 18.937 -3.487 1.00 0.00 C ATOM 1708 OE1 GLU A 108 3.728 18.007 -3.918 1.00 0.00 O ATOM 1709 OE2 GLU A 108 5.603 18.930 -3.400 1.00 0.00 O ATOM 1710 OXT GLU A 108 0.402 19.316 -6.358 1.00 0.00 O ATOM 0 H GLU A 108 2.780 22.138 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 108 2.669 19.134 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.669 21.052 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.676 19.301 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.156 21.085 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.633 20.243 -1.936 1.00 0.00 H new TER 1717 GLU A 108