USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.227 X(o=-2.9,f=-3) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.68! C(o=-2.9!,f=-10!) USER MOD Set 2.1: A 43 ASN : amide:sc= -4.44! C(o=-3.7!,f=-5.5!) USER MOD Set 2.2: A 59 SER OG : rot 65:sc= 1.78 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -1.05 USER MOD Set 3.1: A 54 ASN : amide:sc= 0.598 X(o=1.3,f=1.7) USER MOD Set 3.2: A 57 HIS : no HE2:sc= 0.673 K(o=1.3,f=-4.1!) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.16 K(o=3.5,f=0.64) USER MOD Set 4.2: A 18 THR OG1 : rot -103:sc= 2.35 USER MOD Set 5.1: A 7 SER OG : rot 34:sc= 1.13 USER MOD Set 5.2: A 23 CYS SG : rot 66:sc= -2.87! USER MOD Single : A 1 MET CE :methyl 156:sc= -0.191 (180deg=-0.814) USER MOD Single : A 1 MET N :NH3+ -110:sc= 1.43 (180deg=-0.0407) USER MOD Single : A 2 SER OG : rot 176:sc= -2.99! USER MOD Single : A 3 TYR OH : rot 33:sc= 0.107 USER MOD Single : A 6 SER OG : rot 58:sc= 0.0882 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0219 F(o=-1.6!,f=-0.022) USER MOD Single : A 13 THR OG1 : rot -159:sc= -1.5! USER MOD Single : A 25 ASN : amide:sc= -1.6! C(o=-1.6!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.255 K(o=0.26,f=-6.6!) USER MOD Single : A 32 THR OG1 : rot -18:sc= 0.782 USER MOD Single : A 33 SER OG : rot 162:sc= 1.18 USER MOD Single : A 39 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 40 CYS SG : rot 178:sc= -0.63! USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 176:sc= -0.95 USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.195) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 86 GLN :FLIP amide:sc= -1.57 F(o=-4.3!,f=-1.6) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0967 F(o=-0.99!,f=-0.097) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.502 15.664 0.755 1.00 0.00 N ATOM 2 CA MET A 1 1.326 14.875 -0.190 1.00 0.00 C ATOM 3 C MET A 1 1.592 13.495 0.384 1.00 0.00 C ATOM 4 O MET A 1 1.275 13.222 1.539 1.00 0.00 O ATOM 5 CB MET A 1 2.661 15.575 -0.470 1.00 0.00 C ATOM 6 CG MET A 1 2.519 16.981 -1.037 1.00 0.00 C ATOM 7 SD MET A 1 2.109 18.204 0.225 1.00 0.00 S ATOM 8 CE MET A 1 3.612 18.195 1.203 1.00 0.00 C ATOM 0 H1 MET A 1 -0.452 15.793 0.360 1.00 0.00 H new ATOM 0 H2 MET A 1 0.436 15.160 1.662 1.00 0.00 H new ATOM 0 H3 MET A 1 0.942 16.594 0.907 1.00 0.00 H new ATOM 0 HA MET A 1 0.776 14.785 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.234 15.624 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.237 14.969 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.451 17.267 -1.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.744 16.982 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.708 19.144 1.731 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.571 17.380 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.472 18.055 0.548 1.00 0.00 H new ATOM 16 N SER A 2 2.147 12.624 -0.439 1.00 0.00 N ATOM 17 CA SER A 2 2.469 11.272 -0.019 1.00 0.00 C ATOM 18 C SER A 2 3.970 11.050 -0.091 1.00 0.00 C ATOM 19 O SER A 2 4.696 11.913 -0.585 1.00 0.00 O ATOM 20 CB SER A 2 1.749 10.264 -0.909 1.00 0.00 C ATOM 21 OG SER A 2 0.418 10.675 -1.147 1.00 0.00 O ATOM 0 H SER A 2 2.386 12.831 -1.409 1.00 0.00 H new ATOM 0 HA SER A 2 2.140 11.133 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.279 10.162 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.753 9.283 -0.434 1.00 0.00 H new ATOM 0 HG SER A 2 -0.010 10.053 -1.772 1.00 0.00 H new ATOM 26 N TYR A 3 4.438 9.908 0.386 1.00 0.00 N ATOM 27 CA TYR A 3 5.864 9.603 0.364 1.00 0.00 C ATOM 28 C TYR A 3 6.421 9.639 -1.058 1.00 0.00 C ATOM 29 O TYR A 3 7.530 10.123 -1.283 1.00 0.00 O ATOM 30 CB TYR A 3 6.134 8.235 0.995 1.00 0.00 C ATOM 31 CG TYR A 3 5.631 7.054 0.186 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.281 6.731 0.148 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.516 6.261 -0.537 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.826 5.656 -0.588 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.067 5.184 -1.275 1.00 0.00 C ATOM 36 CZ TYR A 3 4.723 4.885 -1.297 1.00 0.00 C ATOM 37 OH TYR A 3 4.274 3.812 -2.028 1.00 0.00 O ATOM 0 H TYR A 3 3.855 9.177 0.793 1.00 0.00 H new ATOM 0 HA TYR A 3 6.371 10.371 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.208 8.125 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.670 8.207 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.576 7.331 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.571 6.491 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.772 5.420 -0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.767 4.579 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 3 3.380 4.007 -2.379 1.00 0.00 H new ATOM 46 N ALA A 4 5.616 9.162 -2.009 1.00 0.00 N ATOM 47 CA ALA A 4 5.996 9.096 -3.420 1.00 0.00 C ATOM 48 C ALA A 4 6.436 10.452 -3.975 1.00 0.00 C ATOM 49 O ALA A 4 7.100 10.510 -5.009 1.00 0.00 O ATOM 50 CB ALA A 4 4.840 8.539 -4.236 1.00 0.00 C ATOM 0 H ALA A 4 4.678 8.809 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 4 6.857 8.432 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.126 8.491 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.593 7.538 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.971 9.188 -4.126 1.00 0.00 H new ATOM 56 N ASP A 5 6.060 11.534 -3.295 1.00 0.00 N ATOM 57 CA ASP A 5 6.438 12.879 -3.722 1.00 0.00 C ATOM 58 C ASP A 5 7.960 13.003 -3.768 1.00 0.00 C ATOM 59 O ASP A 5 8.525 13.628 -4.664 1.00 0.00 O ATOM 60 CB ASP A 5 5.851 13.919 -2.764 1.00 0.00 C ATOM 61 CG ASP A 5 6.294 15.332 -3.083 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.638 15.993 -3.917 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.290 15.798 -2.492 1.00 0.00 O ATOM 0 H ASP A 5 5.494 11.505 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 5 6.040 13.059 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.763 13.868 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.146 13.673 -1.744 1.00 0.00 H new ATOM 67 N SER A 6 8.609 12.378 -2.798 1.00 0.00 N ATOM 68 CA SER A 6 10.059 12.378 -2.704 1.00 0.00 C ATOM 69 C SER A 6 10.544 10.954 -2.445 1.00 0.00 C ATOM 70 O SER A 6 11.375 10.708 -1.565 1.00 0.00 O ATOM 71 CB SER A 6 10.528 13.318 -1.585 1.00 0.00 C ATOM 72 OG SER A 6 10.092 14.651 -1.811 1.00 0.00 O ATOM 0 H SER A 6 8.145 11.857 -2.054 1.00 0.00 H new ATOM 0 HA SER A 6 10.480 12.739 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.145 12.966 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.616 13.295 -1.521 1.00 0.00 H new ATOM 0 HG SER A 6 9.114 14.668 -1.879 1.00 0.00 H new ATOM 77 N SER A 7 10.002 10.017 -3.211 1.00 0.00 N ATOM 78 CA SER A 7 10.352 8.616 -3.073 1.00 0.00 C ATOM 79 C SER A 7 10.252 7.913 -4.421 1.00 0.00 C ATOM 80 O SER A 7 9.481 8.326 -5.289 1.00 0.00 O ATOM 81 CB SER A 7 9.436 7.942 -2.049 1.00 0.00 C ATOM 82 OG SER A 7 9.884 6.639 -1.728 1.00 0.00 O ATOM 0 H SER A 7 9.313 10.207 -3.939 1.00 0.00 H new ATOM 0 HA SER A 7 11.381 8.543 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.395 8.547 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.422 7.891 -2.445 1.00 0.00 H new ATOM 0 HG SER A 7 10.863 6.614 -1.756 1.00 0.00 H new ATOM 87 N ARG A 8 11.042 6.864 -4.587 1.00 0.00 N ATOM 88 CA ARG A 8 11.060 6.094 -5.822 1.00 0.00 C ATOM 89 C ARG A 8 11.404 4.635 -5.532 1.00 0.00 C ATOM 90 O ARG A 8 11.786 4.299 -4.409 1.00 0.00 O ATOM 91 CB ARG A 8 12.070 6.692 -6.804 1.00 0.00 C ATOM 92 CG ARG A 8 13.456 6.885 -6.213 1.00 0.00 C ATOM 93 CD ARG A 8 14.459 7.320 -7.266 1.00 0.00 C ATOM 94 NE ARG A 8 14.092 8.589 -7.888 1.00 0.00 N ATOM 95 CZ ARG A 8 14.975 9.466 -8.359 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.280 9.211 -8.276 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.550 10.594 -8.911 1.00 0.00 N ATOM 0 H ARG A 8 11.686 6.523 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 8 10.068 6.135 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.144 6.042 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.697 7.654 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.413 7.632 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.790 5.954 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.445 7.413 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.534 6.550 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 8 13.101 8.817 -7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.604 8.342 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.955 9.885 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.550 10.786 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.223 11.270 -9.274 1.00 0.00 H new ATOM 108 N ASN A 9 11.286 3.785 -6.555 1.00 0.00 N ATOM 109 CA ASN A 9 11.564 2.349 -6.436 1.00 0.00 C ATOM 110 C ASN A 9 10.600 1.701 -5.454 1.00 0.00 C ATOM 111 O ASN A 9 11.001 0.918 -4.591 1.00 0.00 O ATOM 112 CB ASN A 9 13.011 2.074 -5.997 1.00 0.00 C ATOM 113 CG ASN A 9 14.041 2.572 -6.991 1.00 0.00 C ATOM 114 OD1 ASN A 9 14.552 3.768 -6.760 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 14.397 1.874 -7.939 1.00 0.00 N flip ATOM 0 H ASN A 9 10.995 4.072 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 9 11.426 1.914 -7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.188 2.549 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.143 1.002 -5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.977 0.956 -8.082 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.112 2.214 -8.582 1.00 0.00 H new ATOM 121 N ALA A 10 9.326 2.035 -5.597 1.00 0.00 N ATOM 122 CA ALA A 10 8.294 1.499 -4.727 1.00 0.00 C ATOM 123 C ALA A 10 7.839 0.126 -5.202 1.00 0.00 C ATOM 124 O ALA A 10 7.326 -0.023 -6.315 1.00 0.00 O ATOM 125 CB ALA A 10 7.114 2.455 -4.651 1.00 0.00 C ATOM 0 H ALA A 10 8.983 2.678 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 10 8.716 1.388 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.350 2.038 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.448 3.414 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.697 2.599 -5.648 1.00 0.00 H new ATOM 131 N VAL A 11 8.043 -0.870 -4.357 1.00 0.00 N ATOM 132 CA VAL A 11 7.654 -2.239 -4.661 1.00 0.00 C ATOM 133 C VAL A 11 6.775 -2.796 -3.547 1.00 0.00 C ATOM 134 O VAL A 11 6.637 -2.179 -2.487 1.00 0.00 O ATOM 135 CB VAL A 11 8.885 -3.156 -4.854 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.703 -2.714 -6.058 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.746 -3.180 -3.601 1.00 0.00 C ATOM 0 H VAL A 11 8.481 -0.755 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 11 7.095 -2.219 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 11 8.525 -4.168 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.564 -3.373 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.085 -2.761 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.047 -1.691 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.605 -3.832 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.093 -2.171 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.158 -3.555 -2.763 1.00 0.00 H new ATOM 147 N LEU A 12 6.193 -3.963 -3.781 1.00 0.00 N ATOM 148 CA LEU A 12 5.319 -4.592 -2.802 1.00 0.00 C ATOM 149 C LEU A 12 6.031 -5.756 -2.139 1.00 0.00 C ATOM 150 O LEU A 12 6.402 -6.724 -2.804 1.00 0.00 O ATOM 151 CB LEU A 12 4.020 -5.097 -3.449 1.00 0.00 C ATOM 152 CG LEU A 12 3.065 -4.022 -3.981 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.845 -2.946 -2.930 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.584 -3.418 -5.279 1.00 0.00 C ATOM 0 H LEU A 12 6.311 -4.495 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 12 5.064 -3.839 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.283 -5.759 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.484 -5.699 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 12 2.107 -4.494 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.165 -2.189 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.413 -3.394 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.799 -2.482 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.886 -2.659 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.558 -2.961 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.680 -4.201 -6.032 1.00 0.00 H new ATOM 165 N THR A 13 6.226 -5.659 -0.837 1.00 0.00 N ATOM 166 CA THR A 13 6.900 -6.709 -0.103 1.00 0.00 C ATOM 167 C THR A 13 5.957 -7.398 0.882 1.00 0.00 C ATOM 168 O THR A 13 4.874 -6.882 1.196 1.00 0.00 O ATOM 169 CB THR A 13 8.139 -6.164 0.637 1.00 0.00 C ATOM 170 OG1 THR A 13 7.795 -5.008 1.408 1.00 0.00 O ATOM 171 CG2 THR A 13 9.236 -5.804 -0.354 1.00 0.00 C ATOM 0 H THR A 13 5.928 -4.866 -0.269 1.00 0.00 H new ATOM 0 HA THR A 13 7.230 -7.450 -0.831 1.00 0.00 H new ATOM 0 HB THR A 13 8.503 -6.944 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.604 -4.486 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.102 -5.421 0.185 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.523 -6.692 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.870 -5.041 -1.041 1.00 0.00 H new ATOM 179 N ASN A 14 6.362 -8.588 1.323 1.00 0.00 N ATOM 180 CA ASN A 14 5.589 -9.388 2.277 1.00 0.00 C ATOM 181 C ASN A 14 4.250 -9.824 1.687 1.00 0.00 C ATOM 182 O ASN A 14 3.262 -9.985 2.404 1.00 0.00 O ATOM 183 CB ASN A 14 5.369 -8.620 3.587 1.00 0.00 C ATOM 184 CG ASN A 14 6.610 -8.574 4.461 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.420 -9.502 4.465 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.772 -7.490 5.200 1.00 0.00 N ATOM 0 H ASN A 14 7.235 -9.026 1.030 1.00 0.00 H new ATOM 0 HA ASN A 14 6.170 -10.285 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.055 -7.602 3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.556 -9.086 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.591 -7.401 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.078 -6.743 5.169 1.00 0.00 H new ATOM 192 N GLY A 15 4.219 -10.005 0.373 1.00 0.00 N ATOM 193 CA GLY A 15 3.000 -10.431 -0.292 1.00 0.00 C ATOM 194 C GLY A 15 2.208 -9.273 -0.861 1.00 0.00 C ATOM 195 O GLY A 15 1.358 -9.461 -1.727 1.00 0.00 O ATOM 0 H GLY A 15 5.017 -9.864 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.252 -11.123 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.377 -10.978 0.416 1.00 0.00 H new ATOM 199 N GLY A 16 2.484 -8.075 -0.371 1.00 0.00 N ATOM 200 CA GLY A 16 1.784 -6.905 -0.854 1.00 0.00 C ATOM 201 C GLY A 16 1.104 -6.157 0.267 1.00 0.00 C ATOM 202 O GLY A 16 -0.035 -5.716 0.138 1.00 0.00 O ATOM 0 H GLY A 16 3.180 -7.892 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.488 -6.243 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.042 -7.205 -1.594 1.00 0.00 H new ATOM 206 N ARG A 17 1.813 -6.023 1.373 1.00 0.00 N ATOM 207 CA ARG A 17 1.293 -5.328 2.542 1.00 0.00 C ATOM 208 C ARG A 17 2.260 -4.243 2.992 1.00 0.00 C ATOM 209 O ARG A 17 1.856 -3.225 3.560 1.00 0.00 O ATOM 210 CB ARG A 17 1.053 -6.319 3.684 1.00 0.00 C ATOM 211 CG ARG A 17 2.177 -7.324 3.858 1.00 0.00 C ATOM 212 CD ARG A 17 2.055 -8.098 5.158 1.00 0.00 C ATOM 213 NE ARG A 17 2.406 -7.278 6.314 1.00 0.00 N ATOM 214 CZ ARG A 17 3.309 -7.622 7.231 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.917 -8.799 7.172 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.592 -6.796 8.220 1.00 0.00 N ATOM 0 H ARG A 17 2.758 -6.389 1.489 1.00 0.00 H new ATOM 0 HA ARG A 17 0.346 -4.862 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.924 -5.765 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.122 -6.855 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.172 -8.021 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.135 -6.804 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.034 -8.464 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.705 -8.973 5.122 1.00 0.00 H new ATOM 0 HE ARG A 17 1.929 -6.384 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.695 -9.451 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.607 -9.053 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.119 -5.894 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.283 -7.059 8.922 1.00 0.00 H new ATOM 227 N THR A 18 3.534 -4.466 2.729 1.00 0.00 N ATOM 228 CA THR A 18 4.565 -3.525 3.100 1.00 0.00 C ATOM 229 C THR A 18 5.055 -2.757 1.876 1.00 0.00 C ATOM 230 O THR A 18 5.288 -3.341 0.814 1.00 0.00 O ATOM 231 CB THR A 18 5.749 -4.263 3.746 1.00 0.00 C ATOM 232 OG1 THR A 18 5.258 -5.255 4.660 1.00 0.00 O ATOM 233 CG2 THR A 18 6.661 -3.298 4.484 1.00 0.00 C ATOM 0 H THR A 18 3.878 -5.301 2.255 1.00 0.00 H new ATOM 0 HA THR A 18 4.142 -2.821 3.816 1.00 0.00 H new ATOM 0 HB THR A 18 6.326 -4.741 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.364 -4.934 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.489 -3.849 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.052 -2.559 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.097 -2.792 5.268 1.00 0.00 H new ATOM 241 N LEU A 19 5.180 -1.449 2.027 1.00 0.00 N ATOM 242 CA LEU A 19 5.656 -0.593 0.954 1.00 0.00 C ATOM 243 C LEU A 19 7.148 -0.382 1.080 1.00 0.00 C ATOM 244 O LEU A 19 7.611 0.237 2.037 1.00 0.00 O ATOM 245 CB LEU A 19 4.973 0.775 0.988 1.00 0.00 C ATOM 246 CG LEU A 19 3.525 0.813 0.515 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.010 2.242 0.543 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.398 0.231 -0.884 1.00 0.00 C ATOM 0 H LEU A 19 4.956 -0.954 2.890 1.00 0.00 H new ATOM 0 HA LEU A 19 5.419 -1.089 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.010 1.152 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.553 1.463 0.373 1.00 0.00 H new ATOM 0 HG LEU A 19 2.923 0.205 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.974 2.262 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.066 2.629 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.620 2.861 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.356 0.269 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.009 0.811 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.739 -0.804 -0.880 1.00 0.00 H new ATOM 259 N ARG A 20 7.900 -0.902 0.131 1.00 0.00 N ATOM 260 CA ARG A 20 9.338 -0.733 0.149 1.00 0.00 C ATOM 261 C ARG A 20 9.740 0.257 -0.930 1.00 0.00 C ATOM 262 O ARG A 20 9.485 0.027 -2.112 1.00 0.00 O ATOM 263 CB ARG A 20 10.032 -2.075 -0.076 1.00 0.00 C ATOM 264 CG ARG A 20 11.545 -1.966 -0.117 1.00 0.00 C ATOM 265 CD ARG A 20 12.205 -3.313 -0.340 1.00 0.00 C ATOM 266 NE ARG A 20 13.637 -3.172 -0.581 1.00 0.00 N ATOM 267 CZ ARG A 20 14.551 -4.081 -0.257 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.196 -5.210 0.343 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.828 -3.851 -0.531 1.00 0.00 N ATOM 0 H ARG A 20 7.542 -1.442 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 20 9.644 -0.349 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.745 -2.763 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.680 -2.506 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.838 -1.282 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.903 -1.537 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.042 -3.948 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.739 -3.812 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 20 13.960 -2.315 -1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.215 -5.386 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.904 -5.902 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.103 -2.981 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.535 -4.544 -0.285 1.00 0.00 H new ATOM 280 N ALA A 21 10.356 1.354 -0.525 1.00 0.00 N ATOM 281 CA ALA A 21 10.784 2.377 -1.467 1.00 0.00 C ATOM 282 C ALA A 21 11.958 3.170 -0.919 1.00 0.00 C ATOM 283 O ALA A 21 12.270 3.098 0.274 1.00 0.00 O ATOM 284 CB ALA A 21 9.624 3.311 -1.783 1.00 0.00 C ATOM 0 H ALA A 21 10.572 1.561 0.450 1.00 0.00 H new ATOM 0 HA ALA A 21 11.108 1.882 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.953 4.074 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.806 2.740 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.282 3.789 -0.865 1.00 0.00 H new ATOM 290 N GLU A 22 12.602 3.928 -1.793 1.00 0.00 N ATOM 291 CA GLU A 22 13.719 4.766 -1.398 1.00 0.00 C ATOM 292 C GLU A 22 13.159 6.121 -1.020 1.00 0.00 C ATOM 293 O GLU A 22 12.604 6.822 -1.867 1.00 0.00 O ATOM 294 CB GLU A 22 14.729 4.922 -2.541 1.00 0.00 C ATOM 295 CG GLU A 22 15.151 3.604 -3.165 1.00 0.00 C ATOM 296 CD GLU A 22 15.814 2.659 -2.182 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.668 3.105 -1.392 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.489 1.452 -2.205 1.00 0.00 O ATOM 0 H GLU A 22 12.367 3.979 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 22 14.244 4.308 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.295 5.557 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.614 5.436 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.275 3.116 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.839 3.803 -3.987 1.00 0.00 H new ATOM 303 N CYS A 23 13.259 6.472 0.244 1.00 0.00 N ATOM 304 CA CYS A 23 12.735 7.737 0.712 1.00 0.00 C ATOM 305 C CYS A 23 13.853 8.751 0.852 1.00 0.00 C ATOM 306 O CYS A 23 14.843 8.496 1.532 1.00 0.00 O ATOM 307 CB CYS A 23 12.028 7.543 2.052 1.00 0.00 C ATOM 308 SG CYS A 23 10.719 6.298 2.011 1.00 0.00 S ATOM 0 H CYS A 23 13.698 5.900 0.965 1.00 0.00 H new ATOM 0 HA CYS A 23 12.017 8.112 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.765 7.258 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.602 8.495 2.369 1.00 0.00 H new ATOM 0 HG CYS A 23 11.240 5.127 1.794 1.00 0.00 H new ATOM 313 N ARG A 24 13.721 9.882 0.179 1.00 0.00 N ATOM 314 CA ARG A 24 14.719 10.915 0.264 1.00 0.00 C ATOM 315 C ARG A 24 14.644 11.597 1.622 1.00 0.00 C ATOM 316 O ARG A 24 13.646 12.244 1.949 1.00 0.00 O ATOM 317 CB ARG A 24 14.508 11.918 -0.855 1.00 0.00 C ATOM 318 CG ARG A 24 15.769 12.647 -1.241 1.00 0.00 C ATOM 319 CD ARG A 24 15.543 13.477 -2.481 1.00 0.00 C ATOM 320 NE ARG A 24 14.841 14.722 -2.182 1.00 0.00 N ATOM 321 CZ ARG A 24 15.074 15.874 -2.805 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.974 15.935 -3.784 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.397 16.959 -2.460 1.00 0.00 N ATOM 0 H ARG A 24 12.932 10.100 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 24 15.710 10.475 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.113 11.400 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.756 12.644 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.090 13.289 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.571 11.930 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.502 13.704 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.967 12.900 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 24 14.129 14.707 -1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.487 15.097 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.151 16.820 -4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.699 16.910 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.574 17.843 -2.936 1.00 0.00 H new ATOM 334 N ASN A 25 15.692 11.439 2.411 1.00 0.00 N ATOM 335 CA ASN A 25 15.738 12.026 3.741 1.00 0.00 C ATOM 336 C ASN A 25 16.049 13.513 3.666 1.00 0.00 C ATOM 337 O ASN A 25 16.416 14.012 2.595 1.00 0.00 O ATOM 338 CB ASN A 25 16.755 11.305 4.645 1.00 0.00 C ATOM 339 CG ASN A 25 18.187 11.366 4.134 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.587 12.313 3.467 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.976 10.353 4.455 1.00 0.00 N ATOM 0 H ASN A 25 16.525 10.908 2.154 1.00 0.00 H new ATOM 0 HA ASN A 25 14.751 11.901 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.716 11.745 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.460 10.261 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.948 10.346 4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.612 9.580 5.012 1.00 0.00 H new ATOM 347 N ALA A 26 15.937 14.200 4.800 1.00 0.00 N ATOM 348 CA ALA A 26 16.179 15.642 4.874 1.00 0.00 C ATOM 349 C ALA A 26 17.561 16.015 4.348 1.00 0.00 C ATOM 350 O ALA A 26 17.738 17.071 3.736 1.00 0.00 O ATOM 351 CB ALA A 26 16.016 16.126 6.307 1.00 0.00 C ATOM 0 H ALA A 26 15.677 13.777 5.691 1.00 0.00 H new ATOM 0 HA ALA A 26 15.442 16.133 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.198 17.200 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.003 15.915 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.730 15.610 6.949 1.00 0.00 H new ATOM 357 N ASP A 27 18.530 15.134 4.563 1.00 0.00 N ATOM 358 CA ASP A 27 19.896 15.381 4.109 1.00 0.00 C ATOM 359 C ASP A 27 19.968 15.358 2.585 1.00 0.00 C ATOM 360 O ASP A 27 20.896 15.895 1.979 1.00 0.00 O ATOM 361 CB ASP A 27 20.850 14.337 4.698 1.00 0.00 C ATOM 362 CG ASP A 27 22.279 14.528 4.234 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.962 15.427 4.761 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.727 13.774 3.341 1.00 0.00 O ATOM 0 H ASP A 27 18.398 14.246 5.046 1.00 0.00 H new ATOM 0 HA ASP A 27 20.199 16.369 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.815 14.391 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.511 13.340 4.417 1.00 0.00 H new ATOM 368 N GLY A 28 18.958 14.764 1.974 1.00 0.00 N ATOM 369 CA GLY A 28 18.910 14.664 0.535 1.00 0.00 C ATOM 370 C GLY A 28 19.496 13.357 0.062 1.00 0.00 C ATOM 371 O GLY A 28 20.124 13.290 -0.994 1.00 0.00 O ATOM 0 H GLY A 28 18.163 14.345 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.877 14.747 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.459 15.494 0.091 1.00 0.00 H new ATOM 375 N ASN A 29 19.306 12.320 0.863 1.00 0.00 N ATOM 376 CA ASN A 29 19.833 10.994 0.540 1.00 0.00 C ATOM 377 C ASN A 29 18.689 10.000 0.394 1.00 0.00 C ATOM 378 O ASN A 29 17.595 10.233 0.898 1.00 0.00 O ATOM 379 CB ASN A 29 20.779 10.516 1.650 1.00 0.00 C ATOM 380 CG ASN A 29 21.848 9.558 1.150 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.660 8.850 0.161 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.977 9.522 1.842 1.00 0.00 N ATOM 0 H ASN A 29 18.791 12.366 1.742 1.00 0.00 H new ATOM 0 HA ASN A 29 20.382 11.058 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.260 11.381 2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.196 10.026 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.728 8.892 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.095 10.125 2.656 1.00 0.00 H new ATOM 388 N TRP A 30 18.946 8.892 -0.281 1.00 0.00 N ATOM 389 CA TRP A 30 17.930 7.873 -0.481 1.00 0.00 C ATOM 390 C TRP A 30 18.092 6.752 0.529 1.00 0.00 C ATOM 391 O TRP A 30 19.118 6.077 0.562 1.00 0.00 O ATOM 392 CB TRP A 30 18.005 7.288 -1.889 1.00 0.00 C ATOM 393 CG TRP A 30 17.635 8.254 -2.968 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.468 8.818 -3.886 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.329 8.771 -3.242 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.758 9.643 -4.720 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.444 9.633 -4.343 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.075 8.583 -2.666 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.352 10.306 -4.880 1.00 0.00 C ATOM 400 CZ3 TRP A 30 13.993 9.255 -3.196 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.136 10.106 -4.294 1.00 0.00 C ATOM 0 H TRP A 30 19.850 8.675 -0.700 1.00 0.00 H new ATOM 0 HA TRP A 30 16.959 8.350 -0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.018 6.929 -2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.345 6.423 -1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.532 8.641 -3.948 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.147 10.178 -5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.952 7.923 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.462 10.963 -5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.017 9.120 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.268 10.615 -4.687 1.00 0.00 H new ATOM 411 N VAL A 31 17.083 6.570 1.359 1.00 0.00 N ATOM 412 CA VAL A 31 17.101 5.515 2.355 1.00 0.00 C ATOM 413 C VAL A 31 15.947 4.549 2.125 1.00 0.00 C ATOM 414 O VAL A 31 14.808 4.966 1.914 1.00 0.00 O ATOM 415 CB VAL A 31 17.040 6.071 3.796 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.355 6.738 4.166 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.892 7.050 3.969 1.00 0.00 C ATOM 0 H VAL A 31 16.238 7.141 1.363 1.00 0.00 H new ATOM 0 HA VAL A 31 18.048 4.986 2.244 1.00 0.00 H new ATOM 0 HB VAL A 31 16.867 5.228 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.294 7.124 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.163 6.009 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.552 7.560 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.881 7.420 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.021 7.887 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.949 6.547 3.754 1.00 0.00 H new ATOM 427 N THR A 32 16.248 3.263 2.142 1.00 0.00 N ATOM 428 CA THR A 32 15.234 2.248 1.927 1.00 0.00 C ATOM 429 C THR A 32 14.360 2.106 3.166 1.00 0.00 C ATOM 430 O THR A 32 14.811 1.634 4.210 1.00 0.00 O ATOM 431 CB THR A 32 15.877 0.892 1.588 1.00 0.00 C ATOM 432 OG1 THR A 32 16.804 1.054 0.506 1.00 0.00 O ATOM 433 CG2 THR A 32 14.821 -0.136 1.205 1.00 0.00 C ATOM 0 H THR A 32 17.187 2.897 2.303 1.00 0.00 H new ATOM 0 HA THR A 32 14.617 2.560 1.084 1.00 0.00 H new ATOM 0 HB THR A 32 16.401 0.532 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.622 1.898 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.305 -1.084 0.971 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.131 -0.276 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.270 0.216 0.333 1.00 0.00 H new ATOM 441 N SER A 33 13.116 2.534 3.048 1.00 0.00 N ATOM 442 CA SER A 33 12.184 2.463 4.157 1.00 0.00 C ATOM 443 C SER A 33 10.967 1.631 3.781 1.00 0.00 C ATOM 444 O SER A 33 10.536 1.632 2.626 1.00 0.00 O ATOM 445 CB SER A 33 11.769 3.871 4.585 1.00 0.00 C ATOM 446 OG SER A 33 12.894 4.624 5.015 1.00 0.00 O ATOM 0 H SER A 33 12.728 2.935 2.194 1.00 0.00 H new ATOM 0 HA SER A 33 12.677 1.977 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.283 4.380 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.038 3.809 5.391 1.00 0.00 H new ATOM 0 HG SER A 33 12.672 5.578 5.005 1.00 0.00 H new ATOM 451 N GLU A 34 10.430 0.908 4.758 1.00 0.00 N ATOM 452 CA GLU A 34 9.269 0.059 4.532 1.00 0.00 C ATOM 453 C GLU A 34 8.182 0.335 5.567 1.00 0.00 C ATOM 454 O GLU A 34 8.448 0.356 6.771 1.00 0.00 O ATOM 455 CB GLU A 34 9.669 -1.422 4.587 1.00 0.00 C ATOM 456 CG GLU A 34 10.689 -1.822 3.535 1.00 0.00 C ATOM 457 CD GLU A 34 11.077 -3.283 3.626 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.844 -3.639 4.548 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.623 -4.083 2.781 1.00 0.00 O ATOM 0 H GLU A 34 10.782 0.894 5.715 1.00 0.00 H new ATOM 0 HA GLU A 34 8.875 0.288 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.074 -1.643 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.776 -2.035 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.282 -1.619 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.581 -1.205 3.646 1.00 0.00 H new ATOM 464 N LEU A 35 6.960 0.534 5.093 1.00 0.00 N ATOM 465 CA LEU A 35 5.825 0.796 5.971 1.00 0.00 C ATOM 466 C LEU A 35 4.735 -0.223 5.677 1.00 0.00 C ATOM 467 O LEU A 35 4.391 -0.456 4.516 1.00 0.00 O ATOM 468 CB LEU A 35 5.300 2.230 5.774 1.00 0.00 C ATOM 469 CG LEU A 35 4.406 2.795 6.897 1.00 0.00 C ATOM 470 CD1 LEU A 35 3.001 2.218 6.827 1.00 0.00 C ATOM 471 CD2 LEU A 35 5.020 2.517 8.261 1.00 0.00 C ATOM 0 H LEU A 35 6.727 0.519 4.100 1.00 0.00 H new ATOM 0 HA LEU A 35 6.140 0.704 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.156 2.893 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.737 2.262 4.841 1.00 0.00 H new ATOM 0 HG LEU A 35 4.337 3.873 6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.396 2.636 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.552 2.470 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.047 1.134 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.375 2.923 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.124 1.441 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.001 2.987 8.321 1.00 0.00 H new ATOM 482 N ASP A 36 4.203 -0.833 6.721 1.00 0.00 N ATOM 483 CA ASP A 36 3.165 -1.842 6.567 1.00 0.00 C ATOM 484 C ASP A 36 1.790 -1.189 6.590 1.00 0.00 C ATOM 485 O ASP A 36 1.324 -0.733 7.637 1.00 0.00 O ATOM 486 CB ASP A 36 3.266 -2.879 7.691 1.00 0.00 C ATOM 487 CG ASP A 36 4.661 -3.454 7.828 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.985 -4.422 7.114 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.443 -2.934 8.652 1.00 0.00 O ATOM 0 H ASP A 36 4.472 -0.648 7.687 1.00 0.00 H new ATOM 0 HA ASP A 36 3.304 -2.342 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.973 -2.417 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.561 -3.688 7.499 1.00 0.00 H new ATOM 493 N LEU A 37 1.137 -1.161 5.437 1.00 0.00 N ATOM 494 CA LEU A 37 -0.185 -0.553 5.326 1.00 0.00 C ATOM 495 C LEU A 37 -1.270 -1.512 5.785 1.00 0.00 C ATOM 496 O LEU A 37 -2.386 -1.094 6.090 1.00 0.00 O ATOM 497 CB LEU A 37 -0.480 -0.142 3.886 1.00 0.00 C ATOM 498 CG LEU A 37 0.727 0.257 3.048 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.284 0.572 1.633 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.436 1.448 3.664 1.00 0.00 C ATOM 0 H LEU A 37 1.498 -1.551 4.566 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.183 0.329 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.986 -0.970 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.179 0.694 3.903 1.00 0.00 H new ATOM 0 HG LEU A 37 1.430 -0.575 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.150 0.857 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.185 -0.308 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.432 1.394 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.295 1.717 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.749 2.293 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.774 1.191 4.668 1.00 0.00 H new ATOM 511 N ASP A 38 -0.936 -2.798 5.849 1.00 0.00 N ATOM 512 CA ASP A 38 -1.893 -3.827 6.262 1.00 0.00 C ATOM 513 C ASP A 38 -2.364 -3.597 7.690 1.00 0.00 C ATOM 514 O ASP A 38 -3.304 -4.235 8.152 1.00 0.00 O ATOM 515 CB ASP A 38 -1.272 -5.221 6.148 1.00 0.00 C ATOM 516 CG ASP A 38 -0.135 -5.431 7.127 1.00 0.00 C ATOM 517 OD1 ASP A 38 1.007 -5.047 6.804 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.376 -5.986 8.217 1.00 0.00 O ATOM 0 H ASP A 38 -0.009 -3.155 5.620 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.752 -3.761 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.041 -5.973 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.905 -5.370 5.132 1.00 0.00 H new ATOM 522 N THR A 39 -1.706 -2.678 8.377 1.00 0.00 N ATOM 523 CA THR A 39 -2.049 -2.347 9.743 1.00 0.00 C ATOM 524 C THR A 39 -3.267 -1.426 9.799 1.00 0.00 C ATOM 525 O THR A 39 -3.944 -1.340 10.823 1.00 0.00 O ATOM 526 CB THR A 39 -0.857 -1.668 10.446 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.447 -0.505 9.709 1.00 0.00 O ATOM 528 CG2 THR A 39 0.313 -2.629 10.564 1.00 0.00 C ATOM 0 H THR A 39 -0.922 -2.144 8.002 1.00 0.00 H new ATOM 0 HA THR A 39 -2.292 -3.276 10.258 1.00 0.00 H new ATOM 0 HB THR A 39 -1.174 -1.372 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.222 -0.761 9.040 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.144 -2.131 11.063 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.011 -3.500 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.625 -2.947 9.569 1.00 0.00 H new ATOM 536 N CYS A 40 -3.556 -0.748 8.692 1.00 0.00 N ATOM 537 CA CYS A 40 -4.689 0.168 8.657 1.00 0.00 C ATOM 538 C CYS A 40 -5.567 -0.035 7.417 1.00 0.00 C ATOM 539 O CYS A 40 -6.641 0.556 7.315 1.00 0.00 O ATOM 540 CB CYS A 40 -4.198 1.616 8.732 1.00 0.00 C ATOM 541 SG CYS A 40 -5.511 2.825 9.025 1.00 0.00 S ATOM 0 H CYS A 40 -3.030 -0.814 7.821 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.309 -0.050 9.526 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.459 1.697 9.529 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.690 1.865 7.800 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.994 4.014 9.116 1.00 0.00 H new ATOM 546 N ILE A 41 -5.118 -0.854 6.471 1.00 0.00 N ATOM 547 CA ILE A 41 -5.906 -1.123 5.269 1.00 0.00 C ATOM 548 C ILE A 41 -6.536 -2.509 5.351 1.00 0.00 C ATOM 549 O ILE A 41 -5.863 -3.487 5.694 1.00 0.00 O ATOM 550 CB ILE A 41 -5.069 -1.038 3.970 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.423 0.339 3.830 1.00 0.00 C ATOM 552 CG2 ILE A 41 -5.942 -1.334 2.754 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.623 0.504 2.555 1.00 0.00 C ATOM 0 H ILE A 41 -4.222 -1.340 6.510 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.674 -0.351 5.227 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.278 -1.786 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.201 1.102 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.770 0.514 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.338 -1.270 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.360 -2.337 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.752 -0.607 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.193 1.505 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.823 -0.236 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.277 0.362 1.694 1.00 0.00 H new ATOM 564 N GLY A 42 -7.819 -2.590 5.031 1.00 0.00 N ATOM 565 CA GLY A 42 -8.516 -3.855 5.072 1.00 0.00 C ATOM 566 C GLY A 42 -9.599 -3.934 4.021 1.00 0.00 C ATOM 567 O GLY A 42 -10.037 -2.901 3.503 1.00 0.00 O ATOM 0 H GLY A 42 -8.391 -1.796 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.804 -4.667 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.957 -3.995 6.059 1.00 0.00 H new ATOM 571 N ASN A 43 -10.019 -5.153 3.696 1.00 0.00 N ATOM 572 CA ASN A 43 -11.058 -5.364 2.691 1.00 0.00 C ATOM 573 C ASN A 43 -11.685 -6.764 2.782 1.00 0.00 C ATOM 574 O ASN A 43 -11.765 -7.472 1.779 1.00 0.00 O ATOM 575 CB ASN A 43 -10.476 -5.145 1.287 1.00 0.00 C ATOM 576 CG ASN A 43 -9.196 -5.928 1.035 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.966 -6.989 1.608 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.346 -5.396 0.174 1.00 0.00 N ATOM 0 H ASN A 43 -9.656 -6.010 4.113 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.849 -4.640 2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.221 -5.431 0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.277 -4.083 1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.466 -5.869 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.570 -4.513 -0.284 1.00 0.00 H new ATOM 584 N PRO A 44 -12.193 -7.174 3.964 1.00 0.00 N ATOM 585 CA PRO A 44 -12.793 -8.504 4.132 1.00 0.00 C ATOM 586 C PRO A 44 -14.150 -8.620 3.439 1.00 0.00 C ATOM 587 O PRO A 44 -14.643 -9.723 3.182 1.00 0.00 O ATOM 588 CB PRO A 44 -12.946 -8.635 5.647 1.00 0.00 C ATOM 589 CG PRO A 44 -13.079 -7.234 6.137 1.00 0.00 C ATOM 590 CD PRO A 44 -12.249 -6.383 5.212 1.00 0.00 C ATOM 0 HA PRO A 44 -12.182 -9.288 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.822 -9.230 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.082 -9.129 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.122 -6.916 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.728 -7.147 7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.706 -5.407 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.253 -6.204 5.618 1.00 0.00 H new ATOM 595 N ASN A 45 -14.746 -7.472 3.136 1.00 0.00 N ATOM 596 CA ASN A 45 -16.042 -7.429 2.470 1.00 0.00 C ATOM 597 C ASN A 45 -15.862 -7.329 0.966 1.00 0.00 C ATOM 598 O ASN A 45 -16.787 -7.598 0.198 1.00 0.00 O ATOM 599 CB ASN A 45 -16.862 -6.234 2.964 1.00 0.00 C ATOM 600 CG ASN A 45 -17.271 -6.362 4.417 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.525 -7.459 4.912 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.325 -5.238 5.114 1.00 0.00 N ATOM 0 H ASN A 45 -14.350 -6.555 3.342 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.574 -8.350 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.280 -5.322 2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.755 -6.133 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.585 -5.261 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.107 -4.349 4.665 1.00 0.00 H new ATOM 608 N GLY A 46 -14.663 -6.962 0.547 1.00 0.00 N ATOM 609 CA GLY A 46 -14.392 -6.823 -0.862 1.00 0.00 C ATOM 610 C GLY A 46 -14.204 -5.380 -1.277 1.00 0.00 C ATOM 611 O GLY A 46 -14.163 -5.073 -2.467 1.00 0.00 O ATOM 0 H GLY A 46 -13.873 -6.758 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.496 -7.390 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.214 -7.257 -1.431 1.00 0.00 H new ATOM 615 N PHE A 47 -14.113 -4.486 -0.300 1.00 0.00 N ATOM 616 CA PHE A 47 -13.925 -3.071 -0.583 1.00 0.00 C ATOM 617 C PHE A 47 -12.706 -2.535 0.152 1.00 0.00 C ATOM 618 O PHE A 47 -12.514 -2.805 1.336 1.00 0.00 O ATOM 619 CB PHE A 47 -15.182 -2.283 -0.215 1.00 0.00 C ATOM 620 CG PHE A 47 -16.387 -2.741 -0.987 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.413 -2.640 -2.371 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.484 -3.285 -0.339 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.510 -3.072 -3.090 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.584 -3.715 -1.053 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.597 -3.610 -2.431 1.00 0.00 C ATOM 0 H PHE A 47 -14.166 -4.716 0.692 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.750 -2.949 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.375 -2.389 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.013 -1.223 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.566 -2.219 -2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.478 -3.374 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.517 -2.989 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.434 -4.133 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.456 -3.948 -2.991 1.00 0.00 H new ATOM 634 N LEU A 48 -11.892 -1.770 -0.558 1.00 0.00 N ATOM 635 CA LEU A 48 -10.670 -1.211 0.005 1.00 0.00 C ATOM 636 C LEU A 48 -10.934 0.079 0.758 1.00 0.00 C ATOM 637 O LEU A 48 -11.762 0.899 0.355 1.00 0.00 O ATOM 638 CB LEU A 48 -9.649 -0.935 -1.100 1.00 0.00 C ATOM 639 CG LEU A 48 -8.720 -2.098 -1.447 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.513 -3.299 -1.904 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.730 -1.684 -2.518 1.00 0.00 C ATOM 0 H LEU A 48 -12.056 -1.520 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.276 -1.949 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.187 -0.642 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.039 -0.083 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.168 -2.372 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.831 -4.115 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.188 -3.614 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.093 -3.037 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.076 -2.524 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.270 -1.382 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.131 -0.848 -2.156 1.00 0.00 H new ATOM 652 N GLY A 49 -10.213 0.251 1.848 1.00 0.00 N ATOM 653 CA GLY A 49 -10.350 1.443 2.642 1.00 0.00 C ATOM 654 C GLY A 49 -9.486 1.391 3.874 1.00 0.00 C ATOM 655 O GLY A 49 -8.898 0.349 4.180 1.00 0.00 O ATOM 0 H GLY A 49 -9.530 -0.420 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.079 2.313 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.393 1.569 2.933 1.00 0.00 H new ATOM 659 N TRP A 50 -9.405 2.506 4.574 1.00 0.00 N ATOM 660 CA TRP A 50 -8.611 2.589 5.781 1.00 0.00 C ATOM 661 C TRP A 50 -9.509 2.361 6.996 1.00 0.00 C ATOM 662 O TRP A 50 -10.521 3.042 7.168 1.00 0.00 O ATOM 663 CB TRP A 50 -7.918 3.957 5.870 1.00 0.00 C ATOM 664 CG TRP A 50 -6.916 4.207 4.770 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.151 4.777 3.547 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.520 3.897 4.798 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.979 4.836 2.820 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.970 4.299 3.566 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.679 3.319 5.746 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.621 4.137 3.260 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.343 3.156 5.443 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.825 3.563 4.210 1.00 0.00 C ATOM 0 H TRP A 50 -9.883 3.371 4.324 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.840 1.819 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.676 4.740 5.843 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.413 4.036 6.833 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.112 5.129 3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.883 5.218 1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.067 3.003 6.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.220 4.453 2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.685 2.706 6.172 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.774 3.421 4.004 1.00 0.00 H new ATOM 682 N GLY A 51 -9.143 1.391 7.821 1.00 0.00 N ATOM 683 CA GLY A 51 -9.920 1.078 9.004 1.00 0.00 C ATOM 684 C GLY A 51 -9.624 -0.312 9.521 1.00 0.00 C ATOM 685 O GLY A 51 -9.195 -0.487 10.665 1.00 0.00 O ATOM 0 H GLY A 51 -8.315 0.810 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.705 1.809 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.982 1.161 8.773 1.00 0.00 H new ATOM 689 N MET A 52 -9.851 -1.298 8.668 1.00 0.00 N ATOM 690 CA MET A 52 -9.621 -2.695 9.006 1.00 0.00 C ATOM 691 C MET A 52 -8.156 -3.046 8.735 1.00 0.00 C ATOM 692 O MET A 52 -7.411 -2.213 8.233 1.00 0.00 O ATOM 693 CB MET A 52 -10.573 -3.568 8.176 1.00 0.00 C ATOM 694 CG MET A 52 -10.574 -5.044 8.551 1.00 0.00 C ATOM 695 SD MET A 52 -10.912 -5.322 10.301 1.00 0.00 S ATOM 696 CE MET A 52 -10.860 -7.111 10.382 1.00 0.00 C ATOM 0 H MET A 52 -10.200 -1.153 7.721 1.00 0.00 H new ATOM 0 HA MET A 52 -9.820 -2.875 10.062 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.586 -3.180 8.282 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.305 -3.475 7.124 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.323 -5.565 7.954 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.607 -5.479 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.051 -7.435 11.405 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.620 -7.527 9.721 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.876 -7.461 10.069 1.00 0.00 H new ATOM 704 N GLN A 53 -7.734 -4.255 9.076 1.00 0.00 N ATOM 705 CA GLN A 53 -6.354 -4.650 8.852 1.00 0.00 C ATOM 706 C GLN A 53 -6.278 -5.978 8.111 1.00 0.00 C ATOM 707 O GLN A 53 -7.281 -6.688 7.990 1.00 0.00 O ATOM 708 CB GLN A 53 -5.612 -4.755 10.186 1.00 0.00 C ATOM 709 CG GLN A 53 -6.191 -5.798 11.126 1.00 0.00 C ATOM 710 CD GLN A 53 -5.371 -5.951 12.389 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.744 -5.001 12.851 1.00 0.00 O ATOM 712 NE2 GLN A 53 -5.367 -7.145 12.954 1.00 0.00 N ATOM 0 H GLN A 53 -8.321 -4.971 9.504 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.880 -3.886 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.566 -4.994 9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.631 -3.783 10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.211 -5.520 11.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.245 -6.758 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.901 -7.908 12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.829 -7.304 13.806 1.00 0.00 H new ATOM 719 N ASN A 54 -5.079 -6.295 7.621 1.00 0.00 N ATOM 720 CA ASN A 54 -4.817 -7.544 6.898 1.00 0.00 C ATOM 721 C ASN A 54 -5.589 -7.630 5.585 1.00 0.00 C ATOM 722 O ASN A 54 -6.243 -8.636 5.303 1.00 0.00 O ATOM 723 CB ASN A 54 -5.135 -8.759 7.776 1.00 0.00 C ATOM 724 CG ASN A 54 -3.940 -9.220 8.587 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.156 -10.053 8.132 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.797 -8.694 9.793 1.00 0.00 N ATOM 0 H ASN A 54 -4.260 -5.694 7.713 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.755 -7.547 6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.954 -8.511 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.479 -9.578 7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.014 -8.976 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.469 -8.006 10.132 1.00 0.00 H new ATOM 732 N PHE A 55 -5.507 -6.582 4.778 1.00 0.00 N ATOM 733 CA PHE A 55 -6.189 -6.568 3.488 1.00 0.00 C ATOM 734 C PHE A 55 -5.542 -7.574 2.539 1.00 0.00 C ATOM 735 O PHE A 55 -6.208 -8.177 1.708 1.00 0.00 O ATOM 736 CB PHE A 55 -6.158 -5.164 2.866 1.00 0.00 C ATOM 737 CG PHE A 55 -4.802 -4.728 2.371 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.812 -4.334 3.257 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.524 -4.711 1.012 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.573 -3.931 2.797 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.288 -4.309 0.549 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.310 -3.918 1.443 1.00 0.00 C ATOM 0 H PHE A 55 -4.979 -5.735 4.990 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.230 -6.849 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.861 -5.134 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.509 -4.445 3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.011 -4.342 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.284 -5.016 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.810 -3.626 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.085 -4.300 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.342 -3.603 1.083 1.00 0.00 H new ATOM 751 N SER A 56 -4.242 -7.770 2.713 1.00 0.00 N ATOM 752 CA SER A 56 -3.456 -8.673 1.881 1.00 0.00 C ATOM 753 C SER A 56 -4.010 -10.100 1.876 1.00 0.00 C ATOM 754 O SER A 56 -4.001 -10.773 0.846 1.00 0.00 O ATOM 755 CB SER A 56 -2.020 -8.664 2.388 1.00 0.00 C ATOM 756 OG SER A 56 -2.002 -8.657 3.806 1.00 0.00 O ATOM 0 H SER A 56 -3.699 -7.304 3.440 1.00 0.00 H new ATOM 0 HA SER A 56 -3.504 -8.322 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.489 -9.540 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.497 -7.787 2.006 1.00 0.00 H new ATOM 0 HG SER A 56 -1.074 -8.653 4.121 1.00 0.00 H new ATOM 761 N HIS A 57 -4.491 -10.561 3.024 1.00 0.00 N ATOM 762 CA HIS A 57 -5.033 -11.914 3.127 1.00 0.00 C ATOM 763 C HIS A 57 -6.383 -12.026 2.425 1.00 0.00 C ATOM 764 O HIS A 57 -6.718 -13.075 1.872 1.00 0.00 O ATOM 765 CB HIS A 57 -5.148 -12.348 4.591 1.00 0.00 C ATOM 766 CG HIS A 57 -3.844 -12.787 5.187 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.216 -12.125 6.222 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.047 -13.840 4.885 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.095 -12.752 6.526 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.969 -13.794 5.731 1.00 0.00 N ATOM 0 H HIS A 57 -4.518 -10.025 3.891 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.337 -12.586 2.625 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.546 -11.520 5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.866 -13.165 4.665 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.564 -11.283 6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.228 -14.580 4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.398 -12.459 7.297 1.00 0.00 H new ATOM 778 N SER A 58 -7.130 -10.935 2.414 1.00 0.00 N ATOM 779 CA SER A 58 -8.443 -10.916 1.786 1.00 0.00 C ATOM 780 C SER A 58 -8.364 -10.352 0.368 1.00 0.00 C ATOM 781 O SER A 58 -9.373 -9.946 -0.206 1.00 0.00 O ATOM 782 CB SER A 58 -9.404 -10.082 2.631 1.00 0.00 C ATOM 783 OG SER A 58 -9.365 -10.486 3.992 1.00 0.00 O ATOM 0 H SER A 58 -6.850 -10.048 2.833 1.00 0.00 H new ATOM 0 HA SER A 58 -8.811 -11.940 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.141 -9.027 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.418 -10.187 2.245 1.00 0.00 H new ATOM 0 HG SER A 58 -9.987 -9.937 4.514 1.00 0.00 H new ATOM 788 N SER A 59 -7.165 -10.331 -0.202 1.00 0.00 N ATOM 789 CA SER A 59 -6.978 -9.810 -1.547 1.00 0.00 C ATOM 790 C SER A 59 -6.177 -10.771 -2.410 1.00 0.00 C ATOM 791 O SER A 59 -5.555 -11.713 -1.910 1.00 0.00 O ATOM 792 CB SER A 59 -6.261 -8.460 -1.500 1.00 0.00 C ATOM 793 OG SER A 59 -6.976 -7.530 -0.717 1.00 0.00 O ATOM 0 H SER A 59 -6.312 -10.668 0.245 1.00 0.00 H new ATOM 0 HA SER A 59 -7.967 -9.687 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.260 -8.591 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.143 -8.073 -2.512 1.00 0.00 H new ATOM 0 HG SER A 59 -6.992 -7.831 0.215 1.00 0.00 H new ATOM 798 N GLU A 60 -6.217 -10.529 -3.711 1.00 0.00 N ATOM 799 CA GLU A 60 -5.490 -11.323 -4.685 1.00 0.00 C ATOM 800 C GLU A 60 -4.862 -10.390 -5.715 1.00 0.00 C ATOM 801 O GLU A 60 -5.509 -9.436 -6.157 1.00 0.00 O ATOM 802 CB GLU A 60 -6.431 -12.325 -5.365 1.00 0.00 C ATOM 803 CG GLU A 60 -6.917 -13.428 -4.435 1.00 0.00 C ATOM 804 CD GLU A 60 -7.976 -14.310 -5.060 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.689 -14.962 -6.084 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.102 -14.363 -4.522 1.00 0.00 O ATOM 0 H GLU A 60 -6.760 -9.770 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.704 -11.888 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.293 -11.790 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.917 -12.776 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.068 -14.044 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.317 -12.978 -3.526 1.00 0.00 H new ATOM 811 N ASP A 61 -3.600 -10.652 -6.062 1.00 0.00 N ATOM 812 CA ASP A 61 -2.859 -9.841 -7.035 1.00 0.00 C ATOM 813 C ASP A 61 -2.776 -8.382 -6.578 1.00 0.00 C ATOM 814 O ASP A 61 -3.537 -7.523 -7.032 1.00 0.00 O ATOM 815 CB ASP A 61 -3.496 -9.946 -8.425 1.00 0.00 C ATOM 816 CG ASP A 61 -2.685 -9.240 -9.492 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.547 -9.676 -9.769 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.184 -8.250 -10.071 1.00 0.00 O ATOM 0 H ASP A 61 -3.063 -11.430 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.843 -10.230 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.605 -10.997 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.499 -9.520 -8.394 1.00 0.00 H new ATOM 822 N ILE A 62 -1.845 -8.117 -5.670 1.00 0.00 N ATOM 823 CA ILE A 62 -1.654 -6.780 -5.122 1.00 0.00 C ATOM 824 C ILE A 62 -0.468 -6.077 -5.778 1.00 0.00 C ATOM 825 O ILE A 62 0.655 -6.580 -5.743 1.00 0.00 O ATOM 826 CB ILE A 62 -1.415 -6.841 -3.597 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.553 -7.602 -2.911 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.288 -5.437 -3.023 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.348 -7.799 -1.426 1.00 0.00 C ATOM 0 H ILE A 62 -1.205 -8.817 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.564 -6.216 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.482 -7.373 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.486 -7.062 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.663 -8.577 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.120 -5.497 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.448 -4.926 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.205 -4.881 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.195 -8.345 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.432 -8.366 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.269 -6.828 -0.938 1.00 0.00 H new ATOM 840 N LYS A 63 -0.718 -4.918 -6.377 1.00 0.00 N ATOM 841 CA LYS A 63 0.338 -4.153 -7.026 1.00 0.00 C ATOM 842 C LYS A 63 0.020 -2.658 -6.940 1.00 0.00 C ATOM 843 O LYS A 63 -1.093 -2.277 -6.612 1.00 0.00 O ATOM 844 CB LYS A 63 0.496 -4.604 -8.483 1.00 0.00 C ATOM 845 CG LYS A 63 1.805 -4.168 -9.120 1.00 0.00 C ATOM 846 CD LYS A 63 2.085 -4.931 -10.401 1.00 0.00 C ATOM 847 CE LYS A 63 3.430 -4.543 -10.990 1.00 0.00 C ATOM 848 NZ LYS A 63 3.826 -5.442 -12.107 1.00 0.00 N ATOM 0 H LYS A 63 -1.642 -4.489 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 63 1.284 -4.332 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.425 -5.691 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.333 -4.207 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.768 -3.100 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.623 -4.325 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.069 -6.002 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.296 -4.731 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.386 -3.515 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.191 -4.576 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.749 -5.144 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.893 -6.420 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.113 -5.392 -12.863 1.00 0.00 H new ATOM 858 N LEU A 64 1.006 -1.816 -7.205 1.00 0.00 N ATOM 859 CA LEU A 64 0.814 -0.372 -7.144 1.00 0.00 C ATOM 860 C LEU A 64 0.386 0.182 -8.499 1.00 0.00 C ATOM 861 O LEU A 64 1.039 -0.054 -9.518 1.00 0.00 O ATOM 862 CB LEU A 64 2.101 0.299 -6.670 1.00 0.00 C ATOM 863 CG LEU A 64 2.460 0.021 -5.209 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.898 0.426 -4.927 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.514 0.755 -4.275 1.00 0.00 C ATOM 0 H LEU A 64 1.949 -2.106 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 64 0.017 -0.156 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.924 -0.034 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.007 1.376 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 64 2.359 -1.050 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.136 0.221 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.569 -0.143 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.022 1.491 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.787 0.544 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.583 1.828 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.492 0.421 -4.456 1.00 0.00 H new ATOM 876 N GLU A 65 -0.714 0.930 -8.489 1.00 0.00 N ATOM 877 CA GLU A 65 -1.274 1.524 -9.697 1.00 0.00 C ATOM 878 C GLU A 65 -0.461 2.737 -10.126 1.00 0.00 C ATOM 879 O GLU A 65 0.065 2.787 -11.232 1.00 0.00 O ATOM 880 CB GLU A 65 -2.723 1.943 -9.440 1.00 0.00 C ATOM 881 CG GLU A 65 -3.441 2.479 -10.667 1.00 0.00 C ATOM 882 CD GLU A 65 -3.726 1.410 -11.699 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.767 0.729 -11.582 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.923 1.253 -12.640 1.00 0.00 O ATOM 0 H GLU A 65 -1.242 1.141 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.242 0.783 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.275 1.086 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.737 2.706 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.380 2.939 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.836 3.263 -11.122 1.00 0.00 H new ATOM 889 N GLU A 66 -0.354 3.709 -9.230 1.00 0.00 N ATOM 890 CA GLU A 66 0.385 4.933 -9.506 1.00 0.00 C ATOM 891 C GLU A 66 1.867 4.747 -9.213 1.00 0.00 C ATOM 892 O GLU A 66 2.625 5.713 -9.148 1.00 0.00 O ATOM 893 CB GLU A 66 -0.163 6.073 -8.657 1.00 0.00 C ATOM 894 CG GLU A 66 -1.646 6.312 -8.841 1.00 0.00 C ATOM 895 CD GLU A 66 -1.989 6.870 -10.206 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.863 8.098 -10.391 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.390 6.086 -11.090 1.00 0.00 O ATOM 0 H GLU A 66 -0.772 3.672 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 66 0.265 5.174 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.034 5.859 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.376 6.988 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.181 5.374 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.995 7.003 -8.074 1.00 0.00 H new ATOM 902 N GLY A 67 2.261 3.501 -9.011 1.00 0.00 N ATOM 903 CA GLY A 67 3.648 3.198 -8.724 1.00 0.00 C ATOM 904 C GLY A 67 4.060 3.642 -7.336 1.00 0.00 C ATOM 905 O GLY A 67 5.222 3.968 -7.104 1.00 0.00 O ATOM 0 H GLY A 67 1.643 2.690 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.811 2.125 -8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.284 3.686 -9.463 1.00 0.00 H new ATOM 909 N GLY A 68 3.101 3.682 -6.415 1.00 0.00 N ATOM 910 CA GLY A 68 3.410 4.084 -5.058 1.00 0.00 C ATOM 911 C GLY A 68 2.376 5.026 -4.480 1.00 0.00 C ATOM 912 O GLY A 68 2.077 4.976 -3.290 1.00 0.00 O ATOM 0 H GLY A 68 2.123 3.445 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.481 3.198 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.387 4.567 -5.040 1.00 0.00 H new ATOM 916 N ARG A 69 1.817 5.877 -5.328 1.00 0.00 N ATOM 917 CA ARG A 69 0.813 6.844 -4.895 1.00 0.00 C ATOM 918 C ARG A 69 -0.535 6.155 -4.667 1.00 0.00 C ATOM 919 O ARG A 69 -1.408 6.679 -3.977 1.00 0.00 O ATOM 920 CB ARG A 69 0.665 7.938 -5.958 1.00 0.00 C ATOM 921 CG ARG A 69 0.011 9.223 -5.469 1.00 0.00 C ATOM 922 CD ARG A 69 1.006 10.111 -4.735 1.00 0.00 C ATOM 923 NE ARG A 69 2.164 10.444 -5.572 1.00 0.00 N ATOM 924 CZ ARG A 69 2.755 11.640 -5.609 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.278 12.652 -4.890 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.825 11.818 -6.375 1.00 0.00 N ATOM 0 H ARG A 69 2.041 5.919 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 69 1.136 7.290 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.653 8.177 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.079 7.542 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.406 9.766 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.820 8.980 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.510 11.029 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.345 9.606 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 69 2.545 9.709 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.454 12.518 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.736 13.563 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.190 11.044 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.282 12.729 -6.409 1.00 0.00 H new ATOM 937 N LYS A 70 -0.688 4.962 -5.236 1.00 0.00 N ATOM 938 CA LYS A 70 -1.932 4.212 -5.118 1.00 0.00 C ATOM 939 C LYS A 70 -1.677 2.712 -5.199 1.00 0.00 C ATOM 940 O LYS A 70 -0.837 2.263 -5.982 1.00 0.00 O ATOM 941 CB LYS A 70 -2.882 4.621 -6.241 1.00 0.00 C ATOM 942 CG LYS A 70 -4.291 4.073 -6.096 1.00 0.00 C ATOM 943 CD LYS A 70 -5.126 4.325 -7.343 1.00 0.00 C ATOM 944 CE LYS A 70 -5.324 5.812 -7.609 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.098 6.053 -8.856 1.00 0.00 N ATOM 0 H LYS A 70 0.035 4.495 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.376 4.437 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.930 5.709 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.469 4.284 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.246 3.002 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.774 4.535 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.640 3.865 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.098 3.845 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.844 6.266 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.352 6.300 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.211 7.076 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.590 5.642 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.035 5.609 -8.774 1.00 0.00 H new ATOM 955 N LEU A 71 -2.411 1.951 -4.401 1.00 0.00 N ATOM 956 CA LEU A 71 -2.293 0.498 -4.381 1.00 0.00 C ATOM 957 C LEU A 71 -3.559 -0.118 -4.976 1.00 0.00 C ATOM 958 O LEU A 71 -4.670 0.234 -4.582 1.00 0.00 O ATOM 959 CB LEU A 71 -2.071 0.013 -2.937 1.00 0.00 C ATOM 960 CG LEU A 71 -1.805 -1.487 -2.756 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.978 -1.721 -1.503 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.112 -2.262 -2.662 1.00 0.00 C ATOM 0 H LEU A 71 -3.104 2.321 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.437 0.186 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.228 0.563 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.949 0.278 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.253 -1.843 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.794 -2.789 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.027 -1.197 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.519 -1.346 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.897 -3.323 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.688 -1.903 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.688 -2.116 -3.576 1.00 0.00 H new ATOM 973 N THR A 72 -3.390 -1.014 -5.937 1.00 0.00 N ATOM 974 CA THR A 72 -4.517 -1.668 -6.582 1.00 0.00 C ATOM 975 C THR A 72 -4.419 -3.186 -6.463 1.00 0.00 C ATOM 976 O THR A 72 -3.398 -3.789 -6.793 1.00 0.00 O ATOM 977 CB THR A 72 -4.614 -1.274 -8.067 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.301 -1.111 -8.620 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.411 0.009 -8.234 1.00 0.00 C ATOM 0 H THR A 72 -2.478 -1.305 -6.288 1.00 0.00 H new ATOM 0 HA THR A 72 -5.418 -1.333 -6.068 1.00 0.00 H new ATOM 0 HB THR A 72 -5.130 -2.072 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.371 -0.925 -9.580 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.466 0.268 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.418 -0.135 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.921 0.815 -7.688 1.00 0.00 H new ATOM 987 N CYS A 73 -5.489 -3.793 -5.987 1.00 0.00 N ATOM 988 CA CYS A 73 -5.548 -5.236 -5.818 1.00 0.00 C ATOM 989 C CYS A 73 -6.987 -5.702 -5.938 1.00 0.00 C ATOM 990 O CYS A 73 -7.901 -4.879 -5.986 1.00 0.00 O ATOM 991 CB CYS A 73 -4.978 -5.627 -4.454 1.00 0.00 C ATOM 992 SG CYS A 73 -5.761 -4.795 -3.054 1.00 0.00 S ATOM 0 H CYS A 73 -6.339 -3.304 -5.707 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.952 -5.715 -6.595 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.082 -6.704 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.911 -5.406 -4.442 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.209 -5.196 -1.947 1.00 0.00 H new ATOM 997 N ARG A 74 -7.204 -7.003 -6.014 1.00 0.00 N ATOM 998 CA ARG A 74 -8.556 -7.513 -6.111 1.00 0.00 C ATOM 999 C ARG A 74 -8.982 -8.141 -4.798 1.00 0.00 C ATOM 1000 O ARG A 74 -8.608 -9.273 -4.486 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.696 -8.512 -7.259 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.062 -9.177 -7.324 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.063 -10.358 -8.281 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.335 -11.080 -8.265 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.450 -12.382 -7.990 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.380 -13.089 -7.641 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.637 -12.979 -8.053 1.00 0.00 N ATOM 0 H ARG A 74 -6.473 -7.714 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.215 -6.672 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.506 -7.999 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.931 -9.282 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.351 -9.514 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.807 -8.449 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.860 -10.005 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.256 -11.041 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.185 -10.558 -8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.467 -12.637 -7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.472 -14.083 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.465 -12.442 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.719 -13.974 -7.842 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.748 -7.393 -3.999 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.254 -7.874 -2.722 1.00 0.00 C ATOM 1020 C PRO A 75 -11.336 -8.910 -2.943 1.00 0.00 C ATOM 1021 O PRO A 75 -12.164 -8.763 -3.847 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.838 -6.621 -2.075 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.220 -5.761 -3.224 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.193 -6.021 -4.287 1.00 0.00 C ATOM 0 HA PRO A 75 -9.489 -8.351 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.700 -6.859 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.108 -6.127 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.221 -6.005 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.230 -4.709 -2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.619 -5.938 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.368 -5.311 -4.232 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.296 -9.968 -2.159 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.263 -11.037 -2.259 1.00 0.00 C ATOM 1031 C LYS A 76 -13.003 -11.233 -0.941 1.00 0.00 C ATOM 1032 O LYS A 76 -12.407 -11.135 0.129 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.561 -12.321 -2.701 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.242 -12.584 -1.979 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.403 -13.527 -0.798 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.520 -14.970 -1.254 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.347 -15.395 -2.066 1.00 0.00 N ATOM 0 H LYS A 76 -10.591 -10.109 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.009 -10.771 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.230 -13.165 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.373 -12.270 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.525 -13.007 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.827 -11.638 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.549 -13.423 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.290 -13.251 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.612 -15.619 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.430 -15.092 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.175 -16.411 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.538 -15.215 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.507 -14.857 -1.771 1.00 0.00 H new ATOM 1047 N THR A 77 -14.303 -11.499 -1.015 1.00 0.00 N ATOM 1048 CA THR A 77 -15.087 -11.716 0.186 1.00 0.00 C ATOM 1049 C THR A 77 -14.787 -13.093 0.737 1.00 0.00 C ATOM 1050 O THR A 77 -14.672 -14.060 -0.024 1.00 0.00 O ATOM 1051 CB THR A 77 -16.610 -11.599 -0.055 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.300 -11.695 1.193 1.00 0.00 O ATOM 1053 CG2 THR A 77 -17.121 -12.700 -0.974 1.00 0.00 C ATOM 0 H THR A 77 -14.828 -11.568 -1.887 1.00 0.00 H new ATOM 0 HA THR A 77 -14.806 -10.935 0.893 1.00 0.00 H new ATOM 0 HB THR A 77 -16.795 -10.635 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.265 -11.619 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.195 -12.584 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.615 -12.634 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.919 -13.672 -0.524 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.670 -13.166 2.052 1.00 0.00 N ATOM 1062 CA VAL A 78 -14.380 -14.412 2.738 1.00 0.00 C ATOM 1063 C VAL A 78 -15.593 -15.334 2.742 1.00 0.00 C ATOM 1064 O VAL A 78 -15.492 -16.504 3.114 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.925 -14.153 4.186 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -12.648 -13.328 4.198 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -15.021 -13.458 4.987 1.00 0.00 C ATOM 0 H VAL A 78 -14.773 -12.363 2.673 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.571 -14.899 2.194 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.723 -15.115 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.338 -13.152 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.862 -13.867 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.828 -12.372 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.674 -13.287 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.263 -12.503 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.911 -14.087 5.008 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.738 -14.803 2.324 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.971 -15.579 2.272 1.00 0.00 C ATOM 1079 C ASP A 79 -17.882 -16.678 1.221 1.00 0.00 C ATOM 1080 O ASP A 79 -18.487 -17.738 1.373 1.00 0.00 O ATOM 1081 CB ASP A 79 -19.172 -14.677 1.982 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.554 -13.819 3.170 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -20.025 -14.379 4.183 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.393 -12.585 3.097 1.00 0.00 O ATOM 0 H ASP A 79 -16.837 -13.836 2.016 1.00 0.00 H new ATOM 0 HA ASP A 79 -18.109 -16.043 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.942 -14.034 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.024 -15.293 1.694 1.00 0.00 H new ATOM 1088 N GLY A 80 -17.132 -16.422 0.155 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.983 -17.413 -0.898 1.00 0.00 C ATOM 1090 C GLY A 80 -15.692 -17.264 -1.688 1.00 0.00 C ATOM 1091 O GLY A 80 -15.320 -18.157 -2.449 1.00 0.00 O ATOM 0 H GLY A 80 -16.626 -15.550 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.018 -18.409 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.829 -17.337 -1.581 1.00 0.00 H new ATOM 1095 N GLY A 81 -15.005 -16.141 -1.512 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.764 -15.906 -2.225 1.00 0.00 C ATOM 1097 C GLY A 81 -13.989 -15.186 -3.536 1.00 0.00 C ATOM 1098 O GLY A 81 -13.114 -15.155 -4.399 1.00 0.00 O ATOM 0 H GLY A 81 -15.287 -15.387 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.093 -15.318 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.270 -16.859 -2.415 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.165 -14.598 -3.676 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.532 -13.885 -4.901 1.00 0.00 C ATOM 1104 C PHE A 82 -15.631 -12.400 -4.615 1.00 0.00 C ATOM 1105 O PHE A 82 -15.803 -12.034 -3.459 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.861 -14.415 -5.455 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.978 -14.446 -4.444 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.783 -13.336 -4.237 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.216 -15.588 -3.697 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.802 -13.366 -3.303 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.235 -15.624 -2.766 1.00 0.00 C ATOM 1112 CZ PHE A 82 -20.027 -14.512 -2.568 1.00 0.00 C ATOM 0 H PHE A 82 -15.889 -14.597 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.761 -14.052 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.165 -13.794 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.706 -15.423 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.612 -12.438 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.597 -16.461 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.421 -12.494 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.412 -16.522 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.823 -14.538 -1.838 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.517 -11.549 -5.645 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.614 -10.100 -5.451 1.00 0.00 C ATOM 1123 C ARG A 83 -15.249 -9.312 -6.708 1.00 0.00 C ATOM 1124 O ARG A 83 -15.471 -9.764 -7.832 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.701 -9.677 -4.321 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.304 -8.667 -3.367 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.333 -9.320 -2.463 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.634 -9.456 -3.105 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.795 -9.275 -2.481 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.821 -8.856 -1.222 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.933 -9.475 -3.128 1.00 0.00 N ATOM 0 H ARG A 83 -15.359 -11.838 -6.610 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.654 -9.878 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.410 -10.562 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.790 -9.257 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.516 -8.217 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.771 -7.861 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.975 -10.305 -2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.440 -8.729 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.656 -9.705 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.948 -8.671 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.714 -8.719 -0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.920 -9.768 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.823 -9.336 -2.649 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.684 -8.128 -6.494 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.307 -7.228 -7.574 1.00 0.00 C ATOM 1144 C GLU A 84 -13.006 -6.523 -7.217 1.00 0.00 C ATOM 1145 O GLU A 84 -12.710 -6.331 -6.041 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.426 -6.201 -7.795 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.101 -5.110 -8.805 1.00 0.00 C ATOM 1148 CD GLU A 84 -14.868 -5.644 -10.205 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -13.721 -6.019 -10.524 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -15.835 -5.683 -10.997 1.00 0.00 O ATOM 0 H GLU A 84 -14.475 -7.766 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.160 -7.795 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.322 -6.727 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.664 -5.733 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.919 -4.390 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.212 -4.572 -8.476 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.245 -6.135 -8.230 1.00 0.00 N ATOM 1156 CA ARG A 85 -10.976 -5.455 -8.012 1.00 0.00 C ATOM 1157 C ARG A 85 -11.218 -3.998 -7.658 1.00 0.00 C ATOM 1158 O ARG A 85 -12.201 -3.399 -8.097 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.075 -5.557 -9.245 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.686 -4.978 -9.033 1.00 0.00 C ATOM 1161 CD ARG A 85 -7.762 -5.253 -10.205 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.403 -4.783 -9.940 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.344 -5.590 -9.819 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.479 -6.903 -9.964 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.148 -5.080 -9.541 1.00 0.00 N ATOM 0 H ARG A 85 -12.484 -6.279 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.468 -5.945 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.983 -6.605 -9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.552 -5.039 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.763 -3.902 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.254 -5.400 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.744 -6.323 -10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.150 -4.763 -11.098 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.254 -3.779 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.395 -7.302 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.667 -7.513 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.039 -4.073 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.340 -5.696 -9.449 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.313 -3.433 -6.878 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.441 -2.046 -6.443 1.00 0.00 C ATOM 1178 C GLN A 86 -9.080 -1.446 -6.092 1.00 0.00 C ATOM 1179 O GLN A 86 -8.121 -2.171 -5.831 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.383 -1.976 -5.235 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.681 -0.563 -4.755 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.669 -0.523 -3.608 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.602 -1.463 -3.588 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.600 0.351 -2.747 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.481 -3.910 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.856 -1.461 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.322 -2.465 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.944 -2.541 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.751 -0.088 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.074 0.022 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.867 1.058 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.276 0.369 -1.983 1.00 0.00 H new ATOM 1191 N GLY A 87 -8.999 -0.122 -6.107 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.761 0.549 -5.778 1.00 0.00 C ATOM 1193 C GLY A 87 -7.930 1.527 -4.636 1.00 0.00 C ATOM 1194 O GLY A 87 -8.976 2.166 -4.507 1.00 0.00 O ATOM 0 H GLY A 87 -9.773 0.499 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.007 -0.192 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.391 1.078 -6.656 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.910 1.632 -3.804 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.931 2.538 -2.670 1.00 0.00 C ATOM 1200 C ILE A 88 -5.735 3.481 -2.744 1.00 0.00 C ATOM 1201 O ILE A 88 -4.613 3.060 -3.047 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.922 1.768 -1.323 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.974 2.744 -0.145 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.698 0.865 -1.216 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.028 2.060 1.204 1.00 0.00 C ATOM 0 H ILE A 88 -6.048 1.095 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.855 3.114 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.810 1.137 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.098 3.391 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.848 3.386 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.717 0.338 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.707 0.141 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.793 1.470 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.063 2.812 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.919 1.435 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.141 1.440 1.333 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.977 4.758 -2.506 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.915 5.749 -2.551 1.00 0.00 C ATOM 1218 C ASP A 89 -4.075 5.670 -1.285 1.00 0.00 C ATOM 1219 O ASP A 89 -4.598 5.459 -0.184 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.484 7.157 -2.722 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.059 7.721 -1.437 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.221 7.412 -1.113 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.349 8.491 -0.754 1.00 0.00 O ATOM 0 H ASP A 89 -6.898 5.133 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.283 5.534 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.698 7.820 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.262 7.139 -3.485 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.774 5.828 -1.442 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.860 5.762 -0.311 1.00 0.00 C ATOM 1229 C LEU A 90 -1.354 7.145 0.053 1.00 0.00 C ATOM 1230 O LEU A 90 -0.182 7.332 0.383 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.687 4.860 -0.640 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.057 3.522 -1.259 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.201 2.771 -1.614 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.929 2.714 -0.308 1.00 0.00 C ATOM 0 H LEU A 90 -2.324 6.003 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.402 5.353 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.023 5.388 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.122 4.676 0.274 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.634 3.692 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.062 1.811 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.784 3.354 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.792 2.605 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.183 1.760 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.386 2.535 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.843 3.268 -0.093 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.256 8.104 0.018 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.922 9.489 0.342 1.00 0.00 C ATOM 1247 C ASN A 91 -1.753 9.666 1.844 1.00 0.00 C ATOM 1248 O ASN A 91 -1.516 10.771 2.332 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.992 10.450 -0.190 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.851 10.716 -1.679 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.484 9.888 -2.496 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.180 11.665 -2.087 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.234 7.955 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.976 9.727 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.980 10.034 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.929 11.394 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.708 12.279 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.096 11.837 -3.089 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.873 8.563 2.568 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.734 8.568 4.013 1.00 0.00 C ATOM 1260 C ARG A 92 -0.326 8.169 4.431 1.00 0.00 C ATOM 1261 O ARG A 92 0.078 8.393 5.567 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.729 7.601 4.643 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.172 8.050 4.556 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.001 7.389 5.638 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.642 7.883 6.965 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.519 8.112 7.938 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.816 7.920 7.725 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.093 8.540 9.118 1.00 0.00 N ATOM 0 H ARG A 92 -2.069 7.644 2.171 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.933 9.582 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.633 6.630 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.467 7.460 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.228 9.134 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.578 7.801 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.059 7.576 5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.857 6.309 5.599 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.657 8.064 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.141 7.596 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.487 8.096 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.097 8.692 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.761 8.717 9.868 1.00 0.00 H new ATOM 1279 N ILE A 93 0.418 7.572 3.517 1.00 0.00 N ATOM 1280 CA ILE A 93 1.769 7.130 3.823 1.00 0.00 C ATOM 1281 C ILE A 93 2.762 8.222 3.452 1.00 0.00 C ATOM 1282 O ILE A 93 2.914 8.570 2.278 1.00 0.00 O ATOM 1283 CB ILE A 93 2.101 5.808 3.091 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.950 4.814 3.268 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.394 5.199 3.621 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.590 4.558 4.719 1.00 0.00 C ATOM 0 H ILE A 93 0.113 7.382 2.562 1.00 0.00 H new ATOM 0 HA ILE A 93 1.841 6.937 4.893 1.00 0.00 H new ATOM 0 HB ILE A 93 2.235 6.028 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.071 5.191 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.221 3.869 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.604 4.271 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.215 5.899 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.289 4.991 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.233 3.845 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.455 4.151 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.288 5.494 5.190 1.00 0.00 H new ATOM 1297 N GLN A 94 3.422 8.773 4.459 1.00 0.00 N ATOM 1298 CA GLN A 94 4.371 9.854 4.251 1.00 0.00 C ATOM 1299 C GLN A 94 5.743 9.514 4.827 1.00 0.00 C ATOM 1300 O GLN A 94 5.858 8.891 5.881 1.00 0.00 O ATOM 1301 CB GLN A 94 3.838 11.134 4.911 1.00 0.00 C ATOM 1302 CG GLN A 94 4.696 12.375 4.686 1.00 0.00 C ATOM 1303 CD GLN A 94 4.533 12.970 3.300 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.658 13.803 3.075 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.393 12.580 2.371 1.00 0.00 N ATOM 0 H GLN A 94 3.317 8.487 5.432 1.00 0.00 H new ATOM 0 HA GLN A 94 4.485 10.004 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.835 11.330 4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.747 10.962 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.437 13.128 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.744 12.118 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.106 11.886 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.342 12.974 1.431 1.00 0.00 H new ATOM 1312 N ASN A 95 6.777 9.915 4.110 1.00 0.00 N ATOM 1313 CA ASN A 95 8.148 9.705 4.537 1.00 0.00 C ATOM 1314 C ASN A 95 8.653 10.944 5.271 1.00 0.00 C ATOM 1315 O ASN A 95 9.005 11.953 4.661 1.00 0.00 O ATOM 1316 CB ASN A 95 9.050 9.390 3.330 1.00 0.00 C ATOM 1317 CG ASN A 95 8.965 10.427 2.214 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.926 11.059 2.002 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.057 10.605 1.488 1.00 0.00 N ATOM 0 H ASN A 95 6.690 10.396 3.215 1.00 0.00 H new ATOM 0 HA ASN A 95 8.180 8.852 5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.083 9.318 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.777 8.414 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.057 11.282 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.898 10.065 1.691 1.00 0.00 H new ATOM 1325 N VAL A 96 8.687 10.863 6.587 1.00 0.00 N ATOM 1326 CA VAL A 96 9.133 11.975 7.405 1.00 0.00 C ATOM 1327 C VAL A 96 10.636 11.887 7.653 1.00 0.00 C ATOM 1328 O VAL A 96 11.118 10.977 8.328 1.00 0.00 O ATOM 1329 CB VAL A 96 8.349 12.048 8.740 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.374 10.717 9.480 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.883 13.165 9.627 1.00 0.00 C ATOM 0 H VAL A 96 8.410 10.035 7.115 1.00 0.00 H new ATOM 0 HA VAL A 96 8.929 12.896 6.860 1.00 0.00 H new ATOM 0 HB VAL A 96 7.311 12.271 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.814 10.808 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.920 9.946 8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.405 10.444 9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.315 13.194 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.934 12.982 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.782 14.120 9.110 1.00 0.00 H new ATOM 1341 N ASN A 97 11.376 12.814 7.044 1.00 0.00 N ATOM 1342 CA ASN A 97 12.835 12.866 7.179 1.00 0.00 C ATOM 1343 C ASN A 97 13.481 11.583 6.666 1.00 0.00 C ATOM 1344 O ASN A 97 14.559 11.198 7.108 1.00 0.00 O ATOM 1345 CB ASN A 97 13.258 13.114 8.637 1.00 0.00 C ATOM 1346 CG ASN A 97 13.169 14.570 9.058 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.225 15.311 8.496 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 13.947 15.029 9.892 1.00 0.00 N flip ATOM 0 H ASN A 97 10.987 13.545 6.448 1.00 0.00 H new ATOM 0 HA ASN A 97 13.182 13.702 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.629 12.515 9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.282 12.767 8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.663 14.431 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.877 16.008 10.171 1.00 0.00 H new ATOM 1354 N GLY A 98 12.813 10.923 5.727 1.00 0.00 N ATOM 1355 CA GLY A 98 13.341 9.695 5.167 1.00 0.00 C ATOM 1356 C GLY A 98 12.710 8.449 5.757 1.00 0.00 C ATOM 1357 O GLY A 98 12.807 7.368 5.176 1.00 0.00 O ATOM 0 H GLY A 98 11.915 11.217 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.184 9.698 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.418 9.662 5.332 1.00 0.00 H new ATOM 1361 N ARG A 99 12.053 8.585 6.900 1.00 0.00 N ATOM 1362 CA ARG A 99 11.423 7.439 7.545 1.00 0.00 C ATOM 1363 C ARG A 99 9.981 7.311 7.078 1.00 0.00 C ATOM 1364 O ARG A 99 9.207 8.263 7.159 1.00 0.00 O ATOM 1365 CB ARG A 99 11.475 7.555 9.076 1.00 0.00 C ATOM 1366 CG ARG A 99 12.885 7.694 9.645 1.00 0.00 C ATOM 1367 CD ARG A 99 13.348 9.145 9.641 1.00 0.00 C ATOM 1368 NE ARG A 99 14.773 9.284 9.951 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.270 10.203 10.781 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.453 10.980 11.489 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.587 10.330 10.921 1.00 0.00 N ATOM 0 H ARG A 99 11.942 9.469 7.397 1.00 0.00 H new ATOM 0 HA ARG A 99 11.978 6.545 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.884 8.418 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.004 6.674 9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.907 7.307 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.576 7.089 9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.149 9.583 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.765 9.710 10.368 1.00 0.00 H new ATOM 0 HE ARG A 99 15.425 8.639 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.443 10.874 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.837 11.681 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.217 9.725 10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.967 11.032 11.555 1.00 0.00 H new ATOM 1382 N LEU A 100 9.626 6.141 6.583 1.00 0.00 N ATOM 1383 CA LEU A 100 8.278 5.912 6.091 1.00 0.00 C ATOM 1384 C LEU A 100 7.346 5.571 7.247 1.00 0.00 C ATOM 1385 O LEU A 100 7.498 4.530 7.884 1.00 0.00 O ATOM 1386 CB LEU A 100 8.280 4.782 5.065 1.00 0.00 C ATOM 1387 CG LEU A 100 7.173 4.860 4.020 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.333 6.115 3.191 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.192 3.630 3.127 1.00 0.00 C ATOM 0 H LEU A 100 10.248 5.336 6.510 1.00 0.00 H new ATOM 0 HA LEU A 100 7.920 6.823 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.242 4.777 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.195 3.832 5.593 1.00 0.00 H new ATOM 0 HG LEU A 100 6.212 4.895 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.538 6.163 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.276 6.989 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.300 6.098 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.394 3.705 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.154 3.565 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.042 2.737 3.734 1.00 0.00 H new ATOM 1400 N VAL A 101 6.389 6.446 7.518 1.00 0.00 N ATOM 1401 CA VAL A 101 5.445 6.239 8.608 1.00 0.00 C ATOM 1402 C VAL A 101 4.017 6.469 8.123 1.00 0.00 C ATOM 1403 O VAL A 101 3.777 7.299 7.242 1.00 0.00 O ATOM 1404 CB VAL A 101 5.735 7.201 9.790 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.835 6.895 10.979 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.197 7.137 10.204 1.00 0.00 C ATOM 0 H VAL A 101 6.245 7.310 6.996 1.00 0.00 H new ATOM 0 HA VAL A 101 5.559 5.211 8.951 1.00 0.00 H new ATOM 0 HB VAL A 101 5.520 8.213 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.060 7.584 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.792 7.009 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.008 5.872 11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.370 7.822 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.443 6.121 10.514 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.827 7.422 9.361 1.00 0.00 H new ATOM 1416 N PHE A 102 3.075 5.719 8.680 1.00 0.00 N ATOM 1417 CA PHE A 102 1.679 5.868 8.317 1.00 0.00 C ATOM 1418 C PHE A 102 1.096 7.082 9.024 1.00 0.00 C ATOM 1419 O PHE A 102 1.310 7.276 10.220 1.00 0.00 O ATOM 1420 CB PHE A 102 0.874 4.616 8.682 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.595 4.884 8.846 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.403 5.111 7.744 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.161 4.936 10.110 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.744 5.380 7.900 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.503 5.211 10.271 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.295 5.431 9.164 1.00 0.00 C ATOM 0 H PHE A 102 3.256 5.003 9.384 1.00 0.00 H new ATOM 0 HA PHE A 102 1.618 6.006 7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.015 3.863 7.907 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.266 4.197 9.609 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.977 5.077 6.752 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.544 4.759 10.979 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.365 5.551 7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.932 5.254 11.261 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.347 5.643 9.286 1.00 0.00 H new ATOM 1435 N GLN A 103 0.370 7.893 8.279 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.246 9.084 8.830 1.00 0.00 C ATOM 1437 C GLN A 103 -1.760 9.017 8.659 1.00 0.00 C ATOM 1438 O GLN A 103 -2.235 9.086 7.508 1.00 0.00 O ATOM 1439 CB GLN A 103 0.317 10.331 8.145 1.00 0.00 C ATOM 1440 CG GLN A 103 0.209 11.598 8.977 1.00 0.00 C ATOM 1441 CD GLN A 103 1.033 11.521 10.248 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.542 11.097 11.296 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.298 11.916 10.161 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.473 8.903 9.678 1.00 0.00 O ATOM 0 H GLN A 103 0.192 7.747 7.285 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.020 9.141 9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.365 10.157 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.208 10.483 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.540 12.450 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.836 11.774 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.665 12.261 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.903 11.875 10.981 1.00 0.00 H new TER 1451 GLN A 103