USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 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 66 ASN :FLIP amide:sc= -9.37! C(o=-9.3!,f=-8.6!) USER MOD Set 1.2: A 80 ASN : amide:sc= 0.772 K(o=-8.6,f=-12!) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.23 X(o=-0.98,f=-0.79) USER MOD Set 2.2: A 70 THR OG1 : rot 24:sc= 0.247 USER MOD Set 3.1: A 36 SER OG : rot 56:sc= 1.11 USER MOD Set 3.2: A 58 GLN : amide:sc= -0.143 K(o=0.97,f=0.33) USER MOD Set 4.1: A 34 HIS :FLIP no HE2:sc= -5.17! C(o=-6.9!,f=-5.4!) USER MOD Set 4.2: A 115 HIS : no HD1:sc= -0.258 X(o=-5.4,f=-5.6) USER MOD Set 5.1: A 3 TYR OH : rot 120:sc= 0.0623 USER MOD Set 5.2: A 11 THR OG1 : rot -167:sc= 0.0662 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0152 (180deg=-0.156) USER MOD Single : A 15 ASN : amide:sc=-0.00321 X(o=-0.0032,f=0) USER MOD Single : A 17 MET CE :methyl -169:sc= -0.298 (180deg=-0.622) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.937 F(o=-1.7,f=-0.94) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.65! C(o=-7.6!,f=-3.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0792 K(o=-0.079,f=-0.87) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -96:sc= 0.854 USER MOD Single : A 44 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.052) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.36 K(o=-2.4,f=-4.2) USER MOD Single : A 61 SER OG : rot 93:sc= 0.78 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.604 K(o=-0.6,f=-4.5!) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.798 K(o=0.8,f=-0.25) USER MOD Single : A 124 TYR OH : rot 30:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -4.14! C(o=-4.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -4.269 6.636 11.719 1.00 0.00 N ATOM 24 CA VAL A 2 -3.174 5.710 11.952 1.00 0.00 C ATOM 25 C VAL A 2 -3.664 4.279 11.721 1.00 0.00 C ATOM 26 O VAL A 2 -4.797 3.944 12.064 1.00 0.00 O ATOM 27 CB VAL A 2 -2.595 5.925 13.351 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.250 4.589 14.013 1.00 0.00 C ATOM 29 CG2 VAL A 2 -1.373 6.845 13.305 1.00 0.00 C ATOM 0 HA VAL A 2 -2.363 5.894 11.248 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.358 6.413 13.957 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.840 4.770 15.007 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.151 3.981 14.097 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.513 4.062 13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.982 6.981 14.313 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.604 6.398 12.674 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.661 7.813 12.894 1.00 0.00 H new ATOM 39 N TYR A 3 -2.787 3.473 11.140 1.00 0.00 N ATOM 40 CA TYR A 3 -3.117 2.086 10.860 1.00 0.00 C ATOM 41 C TYR A 3 -1.934 1.168 11.171 1.00 0.00 C ATOM 42 O TYR A 3 -0.884 1.265 10.537 1.00 0.00 O ATOM 43 CB TYR A 3 -3.419 2.019 9.362 1.00 0.00 C ATOM 44 CG TYR A 3 -4.901 1.829 9.034 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.777 2.889 9.159 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.363 0.599 8.611 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.172 2.710 8.850 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.757 0.421 8.302 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.594 1.485 8.437 1.00 0.00 C ATOM 50 OH TYR A 3 -8.911 1.316 8.146 1.00 0.00 O ATOM 0 H TYR A 3 -1.849 3.754 10.856 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.959 1.761 11.471 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.068 2.936 8.890 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.852 1.197 8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.416 3.852 9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.678 -0.230 8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.868 3.531 8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.131 -0.536 7.970 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.007 1.041 7.210 1.00 0.00 H new ATOM 60 N GLU A 4 -2.142 0.296 12.147 1.00 0.00 N ATOM 61 CA GLU A 4 -1.106 -0.639 12.550 1.00 0.00 C ATOM 62 C GLU A 4 -1.375 -2.020 11.948 1.00 0.00 C ATOM 63 O GLU A 4 -2.456 -2.271 11.418 1.00 0.00 O ATOM 64 CB GLU A 4 -0.998 -0.715 14.073 1.00 0.00 C ATOM 65 CG GLU A 4 -2.235 -1.385 14.677 1.00 0.00 C ATOM 66 CD GLU A 4 -2.290 -1.171 16.192 1.00 0.00 C ATOM 67 OE1 GLU A 4 -2.035 -0.021 16.611 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.585 -2.161 16.895 1.00 0.00 O ATOM 0 H GLU A 4 -3.014 0.218 12.671 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.150 -0.279 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.105 -1.275 14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.886 0.288 14.484 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.135 -0.978 14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.219 -2.452 14.457 1.00 0.00 H new ATOM 75 N ARG A 5 -0.372 -2.881 12.052 1.00 0.00 N ATOM 76 CA ARG A 5 -0.487 -4.230 11.526 1.00 0.00 C ATOM 77 C ARG A 5 -1.869 -4.807 11.839 1.00 0.00 C ATOM 78 O ARG A 5 -2.583 -5.243 10.937 1.00 0.00 O ATOM 79 CB ARG A 5 0.587 -5.146 12.118 1.00 0.00 C ATOM 80 CG ARG A 5 0.640 -5.013 13.641 1.00 0.00 C ATOM 81 CD ARG A 5 2.056 -5.267 14.164 1.00 0.00 C ATOM 82 NE ARG A 5 2.485 -4.145 15.027 1.00 0.00 N ATOM 83 CZ ARG A 5 1.905 -3.830 16.193 1.00 0.00 C ATOM 84 NH1 ARG A 5 0.869 -4.550 16.642 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.363 -2.793 16.910 1.00 0.00 N ATOM 0 H ARG A 5 0.523 -2.670 12.493 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.348 -4.177 10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.378 -6.181 11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.559 -4.895 11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.314 -4.015 13.934 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.052 -5.721 14.096 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.083 -6.200 14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.747 -5.379 13.328 1.00 0.00 H new ATOM 0 HE ARG A 5 3.272 -3.575 14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.521 -5.338 16.096 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.428 -4.310 17.530 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.152 -2.245 16.567 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.922 -2.552 17.798 1.00 0.00 H new ATOM 99 N CYS A 6 -2.205 -4.789 13.121 1.00 0.00 N ATOM 100 CA CYS A 6 -3.489 -5.306 13.565 1.00 0.00 C ATOM 101 C CYS A 6 -4.589 -4.622 12.751 1.00 0.00 C ATOM 102 O CYS A 6 -5.179 -5.233 11.861 1.00 0.00 O ATOM 103 CB CYS A 6 -3.687 -5.110 15.070 1.00 0.00 C ATOM 104 SG CYS A 6 -3.511 -6.633 16.071 1.00 0.00 S ATOM 0 H CYS A 6 -1.611 -4.425 13.866 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.529 -6.382 13.396 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.966 -4.373 15.424 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.679 -4.692 15.241 1.00 0.00 H new ATOM 109 N GLU A 7 -4.831 -3.362 13.084 1.00 0.00 N ATOM 110 CA GLU A 7 -5.850 -2.589 12.395 1.00 0.00 C ATOM 111 C GLU A 7 -5.876 -2.951 10.909 1.00 0.00 C ATOM 112 O GLU A 7 -6.859 -3.505 10.418 1.00 0.00 O ATOM 113 CB GLU A 7 -5.624 -1.088 12.590 1.00 0.00 C ATOM 114 CG GLU A 7 -6.556 -0.529 13.667 1.00 0.00 C ATOM 115 CD GLU A 7 -6.332 -1.234 15.007 1.00 0.00 C ATOM 116 OE1 GLU A 7 -6.688 -2.429 15.085 1.00 0.00 O ATOM 117 OE2 GLU A 7 -5.810 -0.561 15.921 1.00 0.00 O ATOM 0 H GLU A 7 -4.339 -2.858 13.822 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.820 -2.836 12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.587 -0.906 12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.795 -0.565 11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.384 0.541 13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.593 -0.653 13.356 1.00 0.00 H new ATOM 124 N PHE A 8 -4.785 -2.622 10.233 1.00 0.00 N ATOM 125 CA PHE A 8 -4.672 -2.906 8.813 1.00 0.00 C ATOM 126 C PHE A 8 -5.144 -4.327 8.497 1.00 0.00 C ATOM 127 O PHE A 8 -5.925 -4.533 7.569 1.00 0.00 O ATOM 128 CB PHE A 8 -3.190 -2.781 8.449 1.00 0.00 C ATOM 129 CG PHE A 8 -2.934 -2.074 7.117 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.691 -2.379 6.029 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.948 -1.142 7.020 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.453 -1.722 4.792 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.710 -0.486 5.783 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.468 -0.791 4.695 1.00 0.00 C ATOM 0 H PHE A 8 -3.972 -2.162 10.642 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.292 -2.212 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.676 -2.237 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.751 -3.778 8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.473 -3.120 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.346 -0.901 7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.055 -1.963 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.928 0.255 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.287 -0.293 3.754 1.00 0.00 H new ATOM 144 N ALA A 9 -4.649 -5.269 9.287 1.00 0.00 N ATOM 145 CA ALA A 9 -5.011 -6.665 9.103 1.00 0.00 C ATOM 146 C ALA A 9 -6.530 -6.811 9.210 1.00 0.00 C ATOM 147 O ALA A 9 -7.169 -7.360 8.313 1.00 0.00 O ATOM 148 CB ALA A 9 -4.270 -7.523 10.129 1.00 0.00 C ATOM 0 H ALA A 9 -4.001 -5.094 10.055 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.715 -7.012 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.541 -8.570 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.195 -7.406 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.545 -7.206 11.135 1.00 0.00 H new ATOM 154 N ARG A 10 -7.066 -6.311 10.314 1.00 0.00 N ATOM 155 CA ARG A 10 -8.497 -6.379 10.548 1.00 0.00 C ATOM 156 C ARG A 10 -9.260 -5.851 9.332 1.00 0.00 C ATOM 157 O ARG A 10 -10.097 -6.553 8.766 1.00 0.00 O ATOM 158 CB ARG A 10 -8.893 -5.566 11.783 1.00 0.00 C ATOM 159 CG ARG A 10 -10.191 -6.096 12.396 1.00 0.00 C ATOM 160 CD ARG A 10 -10.483 -5.413 13.734 1.00 0.00 C ATOM 161 NE ARG A 10 -10.819 -3.989 13.511 1.00 0.00 N ATOM 162 CZ ARG A 10 -11.058 -3.111 14.495 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.001 -3.506 15.774 1.00 0.00 N ATOM 164 NH2 ARG A 10 -11.354 -1.837 14.200 1.00 0.00 N ATOM 0 H ARG A 10 -6.534 -5.857 11.056 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.755 -7.424 10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.093 -5.609 12.523 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.018 -4.518 11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.019 -5.925 11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.115 -7.173 12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.309 -5.916 14.236 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.616 -5.493 14.390 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.872 -3.655 12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.776 -4.475 15.999 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.183 -2.838 16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.397 -1.536 13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.536 -1.169 14.949 1.00 0.00 H new ATOM 178 N THR A 11 -8.946 -4.617 8.967 1.00 0.00 N ATOM 179 CA THR A 11 -9.592 -3.986 7.828 1.00 0.00 C ATOM 180 C THR A 11 -9.490 -4.883 6.593 1.00 0.00 C ATOM 181 O THR A 11 -10.505 -5.241 5.996 1.00 0.00 O ATOM 182 CB THR A 11 -8.961 -2.606 7.630 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.492 -1.825 8.696 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.466 -1.907 6.367 1.00 0.00 C ATOM 0 H THR A 11 -8.253 -4.037 9.440 1.00 0.00 H new ATOM 0 HA THR A 11 -10.659 -3.849 8.005 1.00 0.00 H new ATOM 0 HB THR A 11 -7.877 -2.707 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.299 -0.878 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.987 -0.932 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.225 -2.514 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.546 -1.776 6.431 1.00 0.00 H new ATOM 192 N LEU A 12 -8.257 -5.222 6.247 1.00 0.00 N ATOM 193 CA LEU A 12 -8.010 -6.070 5.093 1.00 0.00 C ATOM 194 C LEU A 12 -8.973 -7.259 5.125 1.00 0.00 C ATOM 195 O LEU A 12 -9.685 -7.512 4.154 1.00 0.00 O ATOM 196 CB LEU A 12 -6.536 -6.475 5.031 1.00 0.00 C ATOM 197 CG LEU A 12 -5.830 -6.234 3.695 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.390 -4.775 3.563 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.661 -7.205 3.510 1.00 0.00 C ATOM 0 H LEU A 12 -7.418 -4.925 6.745 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.206 -5.524 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.997 -5.931 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.460 -7.535 5.273 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.541 -6.429 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.891 -4.631 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.263 -4.125 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.702 -4.528 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.176 -7.013 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.941 -7.065 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.033 -8.230 3.529 1.00 0.00 H new ATOM 211 N LYS A 13 -8.964 -7.958 6.250 1.00 0.00 N ATOM 212 CA LYS A 13 -9.828 -9.114 6.421 1.00 0.00 C ATOM 213 C LYS A 13 -11.289 -8.660 6.403 1.00 0.00 C ATOM 214 O LYS A 13 -12.177 -9.427 6.033 1.00 0.00 O ATOM 215 CB LYS A 13 -9.441 -9.890 7.681 1.00 0.00 C ATOM 216 CG LYS A 13 -9.959 -11.328 7.620 1.00 0.00 C ATOM 217 CD LYS A 13 -9.092 -12.261 8.468 1.00 0.00 C ATOM 218 CE LYS A 13 -8.310 -13.237 7.586 1.00 0.00 C ATOM 219 NZ LYS A 13 -9.229 -14.198 6.937 1.00 0.00 N ATOM 0 H LYS A 13 -8.372 -7.746 7.053 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.700 -9.811 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.357 -9.895 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.848 -9.390 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.989 -11.362 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.965 -11.672 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.398 -11.673 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.722 -12.817 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.755 -12.686 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.578 -13.775 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.698 -15.043 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.975 -14.473 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.661 -13.755 6.102 1.00 0.00 H new ATOM 233 N ARG A 14 -11.494 -7.415 6.809 1.00 0.00 N ATOM 234 CA ARG A 14 -12.833 -6.850 6.843 1.00 0.00 C ATOM 235 C ARG A 14 -13.291 -6.483 5.431 1.00 0.00 C ATOM 236 O ARG A 14 -14.488 -6.455 5.150 1.00 0.00 O ATOM 237 CB ARG A 14 -12.881 -5.604 7.729 1.00 0.00 C ATOM 238 CG ARG A 14 -14.325 -5.165 7.980 1.00 0.00 C ATOM 239 CD ARG A 14 -14.613 -3.819 7.311 1.00 0.00 C ATOM 240 NE ARG A 14 -16.029 -3.758 6.887 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.494 -2.935 5.936 1.00 0.00 C ATOM 242 NH1 ARG A 14 -15.657 -2.100 5.305 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.795 -2.948 5.616 1.00 0.00 N ATOM 0 H ARG A 14 -10.756 -6.782 7.117 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.501 -7.604 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.389 -5.810 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.328 -4.794 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.011 -5.920 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.504 -5.088 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.397 -3.006 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.960 -3.685 6.448 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.693 -4.381 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.666 -2.091 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.010 -1.474 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.432 -3.584 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.149 -2.322 4.893 1.00 0.00 H new ATOM 257 N ASN A 15 -12.314 -6.209 4.579 1.00 0.00 N ATOM 258 CA ASN A 15 -12.602 -5.845 3.202 1.00 0.00 C ATOM 259 C ASN A 15 -12.647 -7.109 2.343 1.00 0.00 C ATOM 260 O ASN A 15 -13.519 -7.252 1.487 1.00 0.00 O ATOM 261 CB ASN A 15 -11.515 -4.926 2.637 1.00 0.00 C ATOM 262 CG ASN A 15 -12.125 -3.834 1.755 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.731 -2.886 2.227 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.932 -4.020 0.453 1.00 0.00 N ATOM 0 H ASN A 15 -11.322 -6.232 4.816 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.560 -5.325 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.958 -4.469 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.803 -5.513 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.301 -3.347 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.415 -4.836 0.126 1.00 0.00 H new ATOM 271 N GLY A 16 -11.695 -7.994 2.600 1.00 0.00 N ATOM 272 CA GLY A 16 -11.615 -9.243 1.859 1.00 0.00 C ATOM 273 C GLY A 16 -10.373 -9.272 0.968 1.00 0.00 C ATOM 274 O GLY A 16 -10.477 -9.472 -0.242 1.00 0.00 O ATOM 0 H GLY A 16 -10.973 -7.872 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.588 -10.082 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.509 -9.365 1.247 1.00 0.00 H new ATOM 278 N MET A 17 -9.225 -9.070 1.598 1.00 0.00 N ATOM 279 CA MET A 17 -7.964 -9.072 0.877 1.00 0.00 C ATOM 280 C MET A 17 -6.935 -9.964 1.573 1.00 0.00 C ATOM 281 O MET A 17 -6.191 -10.690 0.916 1.00 0.00 O ATOM 282 CB MET A 17 -7.425 -7.642 0.788 1.00 0.00 C ATOM 283 CG MET A 17 -7.693 -7.040 -0.592 1.00 0.00 C ATOM 284 SD MET A 17 -6.547 -7.711 -1.785 1.00 0.00 S ATOM 285 CE MET A 17 -5.662 -6.228 -2.233 1.00 0.00 C ATOM 0 H MET A 17 -9.142 -8.904 2.601 1.00 0.00 H new ATOM 0 HA MET A 17 -8.140 -9.467 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.893 -7.025 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.353 -7.640 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.717 -7.254 -0.899 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.593 -5.955 -0.550 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.042 -6.425 -3.108 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.374 -5.435 -2.464 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.029 -5.917 -1.402 1.00 0.00 H new ATOM 295 N ALA A 18 -6.925 -9.881 2.895 1.00 0.00 N ATOM 296 CA ALA A 18 -5.999 -10.672 3.689 1.00 0.00 C ATOM 297 C ALA A 18 -6.030 -12.122 3.205 1.00 0.00 C ATOM 298 O ALA A 18 -7.043 -12.807 3.349 1.00 0.00 O ATOM 299 CB ALA A 18 -6.357 -10.543 5.171 1.00 0.00 C ATOM 0 H ALA A 18 -7.544 -9.278 3.437 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.979 -10.306 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.663 -11.136 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.291 -9.497 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.373 -10.903 5.333 1.00 0.00 H new ATOM 305 N GLY A 19 -4.910 -12.550 2.641 1.00 0.00 N ATOM 306 CA GLY A 19 -4.797 -13.907 2.135 1.00 0.00 C ATOM 307 C GLY A 19 -5.300 -13.999 0.694 1.00 0.00 C ATOM 308 O GLY A 19 -5.785 -15.045 0.266 1.00 0.00 O ATOM 0 H GLY A 19 -4.072 -11.980 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.757 -14.231 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.371 -14.584 2.768 1.00 0.00 H new ATOM 312 N TYR A 20 -5.168 -12.888 -0.018 1.00 0.00 N ATOM 313 CA TYR A 20 -5.604 -12.830 -1.403 1.00 0.00 C ATOM 314 C TYR A 20 -5.080 -14.032 -2.193 1.00 0.00 C ATOM 315 O TYR A 20 -4.367 -14.873 -1.650 1.00 0.00 O ATOM 316 CB TYR A 20 -4.998 -11.550 -1.982 1.00 0.00 C ATOM 317 CG TYR A 20 -5.659 -11.081 -3.279 1.00 0.00 C ATOM 318 CD1 TYR A 20 -7.029 -10.922 -3.337 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.886 -10.816 -4.391 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.652 -10.479 -4.558 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.509 -10.374 -5.612 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.861 -10.227 -5.635 1.00 0.00 C ATOM 323 OH TYR A 20 -7.449 -9.810 -6.788 1.00 0.00 O ATOM 0 H TYR A 20 -4.765 -12.021 0.339 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.692 -12.842 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.074 -10.756 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.936 -11.714 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.634 -11.130 -2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.814 -10.940 -4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.723 -10.350 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.916 -10.164 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.762 -9.668 -7.472 1.00 0.00 H new ATOM 333 N TYR A 21 -5.456 -14.074 -3.463 1.00 0.00 N ATOM 334 CA TYR A 21 -5.034 -15.158 -4.333 1.00 0.00 C ATOM 335 C TYR A 21 -3.612 -15.609 -3.995 1.00 0.00 C ATOM 336 O TYR A 21 -3.353 -16.803 -3.854 1.00 0.00 O ATOM 337 CB TYR A 21 -5.052 -14.589 -5.753 1.00 0.00 C ATOM 338 CG TYR A 21 -6.167 -15.155 -6.636 1.00 0.00 C ATOM 339 CD1 TYR A 21 -6.334 -16.521 -6.747 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.005 -14.299 -7.320 1.00 0.00 C ATOM 341 CE1 TYR A 21 -7.383 -17.053 -7.577 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.055 -14.832 -8.151 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.191 -16.182 -8.238 1.00 0.00 C ATOM 344 OH TYR A 21 -9.183 -16.684 -9.022 1.00 0.00 O ATOM 0 H TYR A 21 -6.048 -13.374 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.691 -16.020 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.160 -13.506 -5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.091 -14.790 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.678 -17.191 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.874 -13.230 -7.233 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.525 -18.119 -7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.719 -14.174 -8.692 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.681 -15.946 -9.432 1.00 0.00 H new ATOM 354 N GLY A 22 -2.727 -14.631 -3.876 1.00 0.00 N ATOM 355 CA GLY A 22 -1.338 -14.912 -3.558 1.00 0.00 C ATOM 356 C GLY A 22 -0.867 -14.075 -2.367 1.00 0.00 C ATOM 357 O GLY A 22 -0.486 -14.621 -1.332 1.00 0.00 O ATOM 0 H GLY A 22 -2.945 -13.642 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.221 -15.972 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.713 -14.700 -4.425 1.00 0.00 H new ATOM 361 N VAL A 23 -0.911 -12.765 -2.552 1.00 0.00 N ATOM 362 CA VAL A 23 -0.493 -11.846 -1.506 1.00 0.00 C ATOM 363 C VAL A 23 -1.065 -12.313 -0.166 1.00 0.00 C ATOM 364 O VAL A 23 -2.281 -12.424 -0.011 1.00 0.00 O ATOM 365 CB VAL A 23 -0.905 -10.418 -1.868 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.237 -9.403 -0.938 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.591 -10.111 -3.333 1.00 0.00 C ATOM 0 H VAL A 23 -1.230 -12.317 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 23 0.593 -11.841 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.984 -10.336 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.546 -8.396 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.534 -9.602 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.846 -9.487 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.894 -9.090 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.480 -10.220 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.135 -10.804 -3.975 1.00 0.00 H new ATOM 377 N SER A 24 -0.163 -12.574 0.769 1.00 0.00 N ATOM 378 CA SER A 24 -0.564 -13.026 2.090 1.00 0.00 C ATOM 379 C SER A 24 -0.763 -11.824 3.015 1.00 0.00 C ATOM 380 O SER A 24 -0.117 -10.792 2.845 1.00 0.00 O ATOM 381 CB SER A 24 0.471 -13.985 2.681 1.00 0.00 C ATOM 382 OG SER A 24 -0.125 -14.945 3.550 1.00 0.00 O ATOM 0 H SER A 24 0.844 -12.481 0.638 1.00 0.00 H new ATOM 0 HA SER A 24 -1.507 -13.565 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.990 -14.501 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.221 -13.416 3.230 1.00 0.00 H new ATOM 0 HG SER A 24 0.568 -15.540 3.905 1.00 0.00 H new ATOM 388 N LEU A 25 -1.659 -12.000 3.976 1.00 0.00 N ATOM 389 CA LEU A 25 -1.952 -10.943 4.928 1.00 0.00 C ATOM 390 C LEU A 25 -0.640 -10.395 5.494 1.00 0.00 C ATOM 391 O LEU A 25 -0.471 -9.183 5.618 1.00 0.00 O ATOM 392 CB LEU A 25 -2.923 -11.440 6.000 1.00 0.00 C ATOM 393 CG LEU A 25 -3.060 -10.560 7.244 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.308 -9.101 6.858 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.143 -11.098 8.180 1.00 0.00 C ATOM 0 H LEU A 25 -2.191 -12.859 4.115 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.458 -10.114 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.908 -11.549 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.606 -12.434 6.316 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.118 -10.593 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.402 -8.497 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.472 -8.735 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.227 -9.030 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.220 -10.454 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.100 -11.115 7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.883 -12.109 8.494 1.00 0.00 H new ATOM 407 N ALA A 26 0.255 -11.314 5.823 1.00 0.00 N ATOM 408 CA ALA A 26 1.546 -10.939 6.373 1.00 0.00 C ATOM 409 C ALA A 26 2.273 -10.026 5.382 1.00 0.00 C ATOM 410 O ALA A 26 2.871 -9.027 5.777 1.00 0.00 O ATOM 411 CB ALA A 26 2.349 -12.200 6.699 1.00 0.00 C ATOM 0 H ALA A 26 0.111 -12.318 5.719 1.00 0.00 H new ATOM 0 HA ALA A 26 1.419 -10.383 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.318 -11.918 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.805 -12.800 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.498 -12.782 5.789 1.00 0.00 H new ATOM 417 N ASP A 27 2.195 -10.404 4.114 1.00 0.00 N ATOM 418 CA ASP A 27 2.837 -9.631 3.064 1.00 0.00 C ATOM 419 C ASP A 27 2.129 -8.283 2.923 1.00 0.00 C ATOM 420 O ASP A 27 2.761 -7.274 2.615 1.00 0.00 O ATOM 421 CB ASP A 27 2.750 -10.354 1.718 1.00 0.00 C ATOM 422 CG ASP A 27 2.764 -11.882 1.802 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.122 -12.386 2.889 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.416 -12.509 0.779 1.00 0.00 O ATOM 0 H ASP A 27 1.698 -11.234 3.791 1.00 0.00 H new ATOM 0 HA ASP A 27 3.884 -9.497 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.836 -10.041 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.584 -10.032 1.095 1.00 0.00 H new ATOM 429 N TRP A 28 0.824 -8.308 3.154 1.00 0.00 N ATOM 430 CA TRP A 28 0.023 -7.100 3.055 1.00 0.00 C ATOM 431 C TRP A 28 0.435 -6.166 4.195 1.00 0.00 C ATOM 432 O TRP A 28 0.877 -5.044 3.953 1.00 0.00 O ATOM 433 CB TRP A 28 -1.471 -7.431 3.065 1.00 0.00 C ATOM 434 CG TRP A 28 -2.019 -7.869 1.705 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.690 -8.991 1.408 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.918 -7.142 0.462 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.025 -9.040 0.070 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.541 -7.880 -0.523 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.318 -5.901 0.180 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.626 -7.462 -1.856 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.411 -5.498 -1.157 1.00 0.00 C ATOM 442 CH2 TRP A 28 -2.035 -6.230 -2.161 1.00 0.00 C ATOM 0 H TRP A 28 0.302 -9.146 3.409 1.00 0.00 H new ATOM 0 HA TRP A 28 0.203 -6.594 2.107 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.653 -8.223 3.791 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.025 -6.555 3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.937 -9.760 2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.534 -9.790 -0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.825 -5.307 0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.121 -8.058 -2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.967 -4.552 -1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.064 -5.850 -3.172 1.00 0.00 H new ATOM 453 N VAL A 29 0.274 -6.663 5.413 1.00 0.00 N ATOM 454 CA VAL A 29 0.624 -5.887 6.589 1.00 0.00 C ATOM 455 C VAL A 29 2.081 -5.434 6.482 1.00 0.00 C ATOM 456 O VAL A 29 2.369 -4.238 6.531 1.00 0.00 O ATOM 457 CB VAL A 29 0.343 -6.700 7.855 1.00 0.00 C ATOM 458 CG1 VAL A 29 0.608 -5.867 9.112 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.086 -7.246 7.850 1.00 0.00 C ATOM 0 H VAL A 29 -0.094 -7.594 5.610 1.00 0.00 H new ATOM 0 HA VAL A 29 0.008 -4.990 6.651 1.00 0.00 H new ATOM 0 HB VAL A 29 1.026 -7.549 7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.401 -6.468 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.651 -5.550 9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.038 -4.989 9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.259 -7.820 8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.792 -6.417 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.226 -7.891 6.983 1.00 0.00 H new ATOM 469 N CYS A 30 2.963 -6.411 6.338 1.00 0.00 N ATOM 470 CA CYS A 30 4.384 -6.129 6.223 1.00 0.00 C ATOM 471 C CYS A 30 4.577 -5.083 5.122 1.00 0.00 C ATOM 472 O CYS A 30 5.319 -4.118 5.301 1.00 0.00 O ATOM 473 CB CYS A 30 5.194 -7.398 5.953 1.00 0.00 C ATOM 474 SG CYS A 30 6.989 -7.245 6.275 1.00 0.00 S ATOM 0 H CYS A 30 2.721 -7.401 6.298 1.00 0.00 H new ATOM 0 HA CYS A 30 4.757 -5.735 7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.796 -8.204 6.569 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.049 -7.690 4.913 1.00 0.00 H new ATOM 479 N LEU A 31 3.897 -5.311 4.008 1.00 0.00 N ATOM 480 CA LEU A 31 3.985 -4.402 2.879 1.00 0.00 C ATOM 481 C LEU A 31 3.703 -2.975 3.354 1.00 0.00 C ATOM 482 O LEU A 31 4.565 -2.103 3.257 1.00 0.00 O ATOM 483 CB LEU A 31 3.067 -4.864 1.745 1.00 0.00 C ATOM 484 CG LEU A 31 2.719 -3.811 0.691 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.976 -3.327 -0.037 1.00 0.00 C ATOM 486 CD2 LEU A 31 1.661 -4.336 -0.281 1.00 0.00 C ATOM 0 H LEU A 31 3.283 -6.112 3.864 1.00 0.00 H new ATOM 0 HA LEU A 31 4.993 -4.408 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.539 -5.709 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.139 -5.231 2.183 1.00 0.00 H new ATOM 0 HG LEU A 31 2.289 -2.948 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.701 -2.579 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.666 -2.886 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.457 -4.171 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.432 -3.568 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.040 -5.224 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.756 -4.591 0.270 1.00 0.00 H new ATOM 498 N ALA A 32 2.493 -2.782 3.860 1.00 0.00 N ATOM 499 CA ALA A 32 2.087 -1.476 4.351 1.00 0.00 C ATOM 500 C ALA A 32 3.082 -1.004 5.414 1.00 0.00 C ATOM 501 O ALA A 32 3.289 0.196 5.585 1.00 0.00 O ATOM 502 CB ALA A 32 0.656 -1.554 4.885 1.00 0.00 C ATOM 0 H ALA A 32 1.781 -3.508 3.940 1.00 0.00 H new ATOM 0 HA ALA A 32 2.094 -0.743 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.351 -0.574 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.015 -1.865 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.610 -2.278 5.699 1.00 0.00 H new ATOM 508 N GLN A 33 3.672 -1.974 6.098 1.00 0.00 N ATOM 509 CA GLN A 33 4.639 -1.671 7.139 1.00 0.00 C ATOM 510 C GLN A 33 5.919 -1.099 6.525 1.00 0.00 C ATOM 511 O GLN A 33 6.373 -0.025 6.916 1.00 0.00 O ATOM 512 CB GLN A 33 4.943 -2.913 7.981 1.00 0.00 C ATOM 513 CG GLN A 33 5.516 -2.522 9.345 1.00 0.00 C ATOM 514 CD GLN A 33 7.010 -2.207 9.241 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.291 -0.906 9.253 1.00 0.00 O flip ATOM 516 NE2 GLN A 33 7.852 -3.086 9.158 1.00 0.00 N flip ATOM 0 H GLN A 33 3.499 -2.969 5.952 1.00 0.00 H new ATOM 0 HA GLN A 33 4.209 -0.919 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.032 -3.496 8.118 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.653 -3.550 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.983 -1.653 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.360 -3.334 10.055 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.568 -4.066 9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.840 -2.841 9.092 1.00 0.00 H new ATOM 525 N HIS A 34 6.463 -1.842 5.573 1.00 0.00 N ATOM 526 CA HIS A 34 7.682 -1.422 4.900 1.00 0.00 C ATOM 527 C HIS A 34 7.417 -0.135 4.115 1.00 0.00 C ATOM 528 O HIS A 34 8.324 0.671 3.915 1.00 0.00 O ATOM 529 CB HIS A 34 8.234 -2.548 4.025 1.00 0.00 C ATOM 530 CG HIS A 34 9.720 -2.456 3.771 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.505 -1.389 3.447 1.00 0.00 N flip ATOM 532 CD2 HIS A 34 10.562 -3.552 3.842 1.00 0.00 C flip ATOM 533 CE1 HIS A 34 11.758 -1.809 3.327 1.00 0.00 C flip ATOM 534 NE2 HIS A 34 11.795 -3.150 3.571 1.00 0.00 N flip ATOM 0 H HIS A 34 6.083 -2.732 5.251 1.00 0.00 H new ATOM 0 HA HIS A 34 8.453 -1.203 5.638 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.016 -3.504 4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.711 -2.541 3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.183 -0.430 3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.265 -4.563 4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.608 -1.191 3.077 1.00 0.00 H new ATOM 543 N GLU A 35 6.170 0.015 3.694 1.00 0.00 N ATOM 544 CA GLU A 35 5.775 1.191 2.935 1.00 0.00 C ATOM 545 C GLU A 35 5.745 2.423 3.841 1.00 0.00 C ATOM 546 O GLU A 35 6.455 3.395 3.597 1.00 0.00 O ATOM 547 CB GLU A 35 4.420 0.975 2.257 1.00 0.00 C ATOM 548 CG GLU A 35 4.551 0.034 1.058 1.00 0.00 C ATOM 549 CD GLU A 35 5.631 0.523 0.091 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.802 0.146 0.310 1.00 0.00 O ATOM 551 OE2 GLU A 35 5.261 1.265 -0.844 1.00 0.00 O ATOM 0 H GLU A 35 5.421 -0.656 3.863 1.00 0.00 H new ATOM 0 HA GLU A 35 6.514 1.359 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.712 0.559 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.016 1.933 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.796 -0.970 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.596 -0.033 0.538 1.00 0.00 H new ATOM 558 N SER A 36 4.914 2.340 4.870 1.00 0.00 N ATOM 559 CA SER A 36 4.781 3.436 5.815 1.00 0.00 C ATOM 560 C SER A 36 3.463 3.309 6.582 1.00 0.00 C ATOM 561 O SER A 36 2.690 4.263 6.654 1.00 0.00 O ATOM 562 CB SER A 36 4.854 4.788 5.104 1.00 0.00 C ATOM 563 OG SER A 36 6.175 5.323 5.107 1.00 0.00 O ATOM 0 H SER A 36 4.326 1.531 5.070 1.00 0.00 H new ATOM 0 HA SER A 36 5.610 3.382 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.511 4.676 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.177 5.490 5.591 1.00 0.00 H new ATOM 0 HG SER A 36 6.792 4.673 4.711 1.00 0.00 H new ATOM 569 N ASN A 37 3.248 2.125 7.133 1.00 0.00 N ATOM 570 CA ASN A 37 2.036 1.862 7.892 1.00 0.00 C ATOM 571 C ASN A 37 1.975 2.810 9.091 1.00 0.00 C ATOM 572 O ASN A 37 2.511 3.915 9.042 1.00 0.00 O ATOM 573 CB ASN A 37 2.019 0.427 8.423 1.00 0.00 C ATOM 574 CG ASN A 37 2.972 0.269 9.610 1.00 0.00 C ATOM 575 OD1 ASN A 37 3.985 1.130 9.607 1.00 0.00 O flip ATOM 576 ND2 ASN A 37 2.797 -0.577 10.471 1.00 0.00 N flip ATOM 0 H ASN A 37 3.892 1.336 7.070 1.00 0.00 H new ATOM 0 HA ASN A 37 1.184 2.011 7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.007 0.160 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.305 -0.262 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.997 -1.207 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.451 -0.654 11.250 1.00 0.00 H new ATOM 583 N TYR A 38 1.316 2.343 10.142 1.00 0.00 N ATOM 584 CA TYR A 38 1.176 3.135 11.352 1.00 0.00 C ATOM 585 C TYR A 38 0.422 4.435 11.072 1.00 0.00 C ATOM 586 O TYR A 38 -0.666 4.654 11.604 1.00 0.00 O ATOM 587 CB TYR A 38 2.600 3.471 11.800 1.00 0.00 C ATOM 588 CG TYR A 38 3.166 2.511 12.848 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.375 2.089 13.897 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.468 2.066 12.743 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.908 1.184 14.882 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.001 1.160 13.728 1.00 0.00 C ATOM 593 CZ TYR A 38 4.195 0.764 14.749 1.00 0.00 C ATOM 594 OH TYR A 38 4.698 -0.090 15.680 1.00 0.00 O ATOM 0 H TYR A 38 0.873 1.425 10.180 1.00 0.00 H new ATOM 0 HA TYR A 38 0.617 2.585 12.109 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.254 3.468 10.928 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.613 4.483 12.205 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.356 2.438 13.979 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.087 2.397 11.922 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.300 0.846 15.708 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.018 0.803 13.657 1.00 0.00 H new ATOM 0 HH TYR A 38 5.628 -0.306 15.457 1.00 0.00 H new ATOM 604 N ASN A 39 1.028 5.267 10.236 1.00 0.00 N ATOM 605 CA ASN A 39 0.426 6.540 9.879 1.00 0.00 C ATOM 606 C ASN A 39 -0.161 6.444 8.469 1.00 0.00 C ATOM 607 O ASN A 39 0.433 5.827 7.586 1.00 0.00 O ATOM 608 CB ASN A 39 1.467 7.661 9.882 1.00 0.00 C ATOM 609 CG ASN A 39 2.302 7.630 11.164 1.00 0.00 C ATOM 610 OD1 ASN A 39 3.159 6.783 11.357 1.00 0.00 O ATOM 611 ND2 ASN A 39 2.006 8.598 12.026 1.00 0.00 N ATOM 0 H ASN A 39 1.930 5.084 9.796 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.348 6.765 10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.120 7.558 9.016 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.968 8.626 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.508 8.664 12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.277 9.275 11.802 1.00 0.00 H new ATOM 618 N THR A 40 -1.320 7.063 8.302 1.00 0.00 N ATOM 619 CA THR A 40 -1.994 7.056 7.015 1.00 0.00 C ATOM 620 C THR A 40 -1.818 8.404 6.313 1.00 0.00 C ATOM 621 O THR A 40 -2.717 8.863 5.610 1.00 0.00 O ATOM 622 CB THR A 40 -3.458 6.680 7.250 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.995 7.798 7.953 1.00 0.00 O ATOM 624 CG2 THR A 40 -3.613 5.515 8.229 1.00 0.00 C ATOM 0 H THR A 40 -1.810 7.573 9.037 1.00 0.00 H new ATOM 0 HA THR A 40 -1.557 6.316 6.344 1.00 0.00 H new ATOM 0 HB THR A 40 -3.923 6.420 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.943 7.639 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.671 5.289 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.100 4.638 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.178 5.788 9.191 1.00 0.00 H new ATOM 632 N ARG A 41 -0.654 9.000 6.529 1.00 0.00 N ATOM 633 CA ARG A 41 -0.349 10.287 5.926 1.00 0.00 C ATOM 634 C ARG A 41 0.850 10.160 4.986 1.00 0.00 C ATOM 635 O ARG A 41 1.408 11.164 4.545 1.00 0.00 O ATOM 636 CB ARG A 41 -0.042 11.337 6.994 1.00 0.00 C ATOM 637 CG ARG A 41 -0.264 12.751 6.453 1.00 0.00 C ATOM 638 CD ARG A 41 -0.213 13.784 7.581 1.00 0.00 C ATOM 639 NE ARG A 41 -0.855 15.044 7.142 1.00 0.00 N ATOM 640 CZ ARG A 41 -0.933 16.149 7.895 1.00 0.00 C ATOM 641 NH1 ARG A 41 -0.411 16.156 9.129 1.00 0.00 N ATOM 642 NH2 ARG A 41 -1.533 17.247 7.415 1.00 0.00 N ATOM 0 H ARG A 41 0.089 8.616 7.113 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.226 10.606 5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.678 11.173 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.990 11.230 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.497 12.983 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.229 12.804 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.721 13.396 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.822 13.973 7.866 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.263 15.072 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.045 15.320 9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.470 16.997 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.931 17.242 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.592 18.088 7.989 1.00 0.00 H new ATOM 656 N ALA A 42 1.214 8.917 4.705 1.00 0.00 N ATOM 657 CA ALA A 42 2.338 8.646 3.825 1.00 0.00 C ATOM 658 C ALA A 42 2.249 9.554 2.596 1.00 0.00 C ATOM 659 O ALA A 42 1.429 9.322 1.707 1.00 0.00 O ATOM 660 CB ALA A 42 2.351 7.163 3.454 1.00 0.00 C ATOM 0 H ALA A 42 0.750 8.086 5.072 1.00 0.00 H new ATOM 0 HA ALA A 42 3.280 8.864 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.194 6.960 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.446 6.562 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.422 6.907 2.945 1.00 0.00 H new ATOM 666 N THR A 43 3.101 10.568 2.584 1.00 0.00 N ATOM 667 CA THR A 43 3.128 11.511 1.479 1.00 0.00 C ATOM 668 C THR A 43 4.544 12.052 1.276 1.00 0.00 C ATOM 669 O THR A 43 5.133 12.620 2.194 1.00 0.00 O ATOM 670 CB THR A 43 2.095 12.603 1.764 1.00 0.00 C ATOM 671 OG1 THR A 43 2.271 12.895 3.148 1.00 0.00 O ATOM 672 CG2 THR A 43 0.658 12.087 1.673 1.00 0.00 C ATOM 0 H THR A 43 3.779 10.757 3.323 1.00 0.00 H new ATOM 0 HA THR A 43 2.860 11.028 0.539 1.00 0.00 H new ATOM 0 HB THR A 43 2.232 13.424 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.615 12.392 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.035 12.901 1.884 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.472 11.703 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.511 11.288 2.400 1.00 0.00 H new ATOM 680 N ASN A 44 5.049 11.859 0.066 1.00 0.00 N ATOM 681 CA ASN A 44 6.385 12.321 -0.270 1.00 0.00 C ATOM 682 C ASN A 44 6.443 12.659 -1.761 1.00 0.00 C ATOM 683 O ASN A 44 6.605 11.770 -2.597 1.00 0.00 O ATOM 684 CB ASN A 44 7.429 11.239 0.010 1.00 0.00 C ATOM 685 CG ASN A 44 8.347 11.648 1.164 1.00 0.00 C ATOM 686 OD1 ASN A 44 9.003 12.676 1.134 1.00 0.00 O ATOM 687 ND2 ASN A 44 8.356 10.788 2.178 1.00 0.00 N ATOM 0 H ASN A 44 4.557 11.389 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 44 6.602 13.198 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.930 10.301 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.023 11.061 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.937 10.970 2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.782 9.946 2.138 1.00 0.00 H new ATOM 694 N TYR A 45 6.306 13.945 -2.050 1.00 0.00 N ATOM 695 CA TYR A 45 6.340 14.411 -3.426 1.00 0.00 C ATOM 696 C TYR A 45 7.773 14.729 -3.861 1.00 0.00 C ATOM 697 O TYR A 45 8.648 14.941 -3.023 1.00 0.00 O ATOM 698 CB TYR A 45 5.514 15.698 -3.456 1.00 0.00 C ATOM 699 CG TYR A 45 5.986 16.765 -2.466 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.144 17.473 -2.716 1.00 0.00 C ATOM 701 CD2 TYR A 45 5.255 17.019 -1.324 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.589 18.476 -1.785 1.00 0.00 C ATOM 703 CE2 TYR A 45 5.700 18.023 -0.393 1.00 0.00 C ATOM 704 CZ TYR A 45 6.846 18.702 -0.669 1.00 0.00 C ATOM 705 OH TYR A 45 7.266 19.651 0.210 1.00 0.00 O ATOM 0 H TYR A 45 6.171 14.679 -1.355 1.00 0.00 H new ATOM 0 HA TYR A 45 5.950 13.648 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.544 16.113 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.473 15.454 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.716 17.274 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.349 16.465 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.493 19.037 -1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.137 18.232 0.504 1.00 0.00 H new ATOM 0 HH TYR A 45 6.637 19.704 0.959 1.00 0.00 H new ATOM 715 N ASN A 46 7.967 14.751 -5.171 1.00 0.00 N ATOM 716 CA ASN A 46 9.278 15.039 -5.729 1.00 0.00 C ATOM 717 C ASN A 46 9.131 15.400 -7.209 1.00 0.00 C ATOM 718 O ASN A 46 8.888 14.529 -8.042 1.00 0.00 O ATOM 719 CB ASN A 46 10.199 13.822 -5.628 1.00 0.00 C ATOM 720 CG ASN A 46 10.635 13.582 -4.182 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.091 12.753 -3.471 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.646 14.351 -3.787 1.00 0.00 N ATOM 0 H ASN A 46 7.239 14.574 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 46 9.710 15.866 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.684 12.939 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.077 13.973 -6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.011 14.266 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.056 15.025 -4.433 1.00 0.00 H new ATOM 729 N ARG A 47 9.283 16.687 -7.488 1.00 0.00 N ATOM 730 CA ARG A 47 9.170 17.173 -8.853 1.00 0.00 C ATOM 731 C ARG A 47 10.421 16.804 -9.653 1.00 0.00 C ATOM 732 O ARG A 47 10.347 16.588 -10.863 1.00 0.00 O ATOM 733 CB ARG A 47 8.983 18.691 -8.882 1.00 0.00 C ATOM 734 CG ARG A 47 8.064 19.109 -10.033 1.00 0.00 C ATOM 735 CD ARG A 47 8.753 20.127 -10.942 1.00 0.00 C ATOM 736 NE ARG A 47 7.744 20.842 -11.757 1.00 0.00 N ATOM 737 CZ ARG A 47 7.941 22.047 -12.309 1.00 0.00 C ATOM 738 NH1 ARG A 47 9.109 22.679 -12.137 1.00 0.00 N ATOM 739 NH2 ARG A 47 6.968 22.619 -13.033 1.00 0.00 N ATOM 0 H ARG A 47 9.483 17.407 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 47 8.296 16.702 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.561 19.027 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.952 19.178 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.780 18.231 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.145 19.537 -9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.318 20.839 -10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.467 19.622 -11.593 1.00 0.00 H new ATOM 0 HE ARG A 47 6.843 20.389 -11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.848 22.243 -11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.259 23.596 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.079 22.137 -13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.117 23.536 -13.453 1.00 0.00 H new ATOM 753 N GLY A 48 11.540 16.745 -8.947 1.00 0.00 N ATOM 754 CA GLY A 48 12.805 16.407 -9.577 1.00 0.00 C ATOM 755 C GLY A 48 12.609 15.355 -10.671 1.00 0.00 C ATOM 756 O GLY A 48 13.260 15.410 -11.713 1.00 0.00 O ATOM 0 H GLY A 48 11.597 16.926 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.253 17.304 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.500 16.031 -8.826 1.00 0.00 H new ATOM 760 N ASP A 49 11.711 14.421 -10.395 1.00 0.00 N ATOM 761 CA ASP A 49 11.421 13.359 -11.343 1.00 0.00 C ATOM 762 C ASP A 49 9.908 13.270 -11.556 1.00 0.00 C ATOM 763 O ASP A 49 9.372 12.186 -11.777 1.00 0.00 O ATOM 764 CB ASP A 49 11.903 12.006 -10.817 1.00 0.00 C ATOM 765 CG ASP A 49 12.447 11.054 -11.885 1.00 0.00 C ATOM 766 OD1 ASP A 49 12.860 11.568 -12.947 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.438 9.833 -11.614 1.00 0.00 O ATOM 0 H ASP A 49 11.175 14.378 -9.528 1.00 0.00 H new ATOM 0 HA ASP A 49 11.936 13.589 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.682 12.178 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.075 11.517 -10.303 1.00 0.00 H new ATOM 772 N GLN A 50 9.264 14.426 -11.485 1.00 0.00 N ATOM 773 CA GLN A 50 7.825 14.493 -11.668 1.00 0.00 C ATOM 774 C GLN A 50 7.157 13.241 -11.094 1.00 0.00 C ATOM 775 O GLN A 50 6.368 12.586 -11.774 1.00 0.00 O ATOM 776 CB GLN A 50 7.467 14.677 -13.144 1.00 0.00 C ATOM 777 CG GLN A 50 6.152 15.442 -13.299 1.00 0.00 C ATOM 778 CD GLN A 50 6.401 16.866 -13.801 1.00 0.00 C ATOM 779 OE1 GLN A 50 6.067 17.846 -13.157 1.00 0.00 O ATOM 780 NE2 GLN A 50 7.004 16.923 -14.985 1.00 0.00 N ATOM 0 H GLN A 50 9.713 15.324 -11.303 1.00 0.00 H new ATOM 0 HA GLN A 50 7.451 15.362 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.267 15.216 -13.651 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.384 13.703 -13.626 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.501 14.915 -13.997 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.632 15.476 -12.342 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.257 16.062 -15.471 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.214 17.827 -15.407 1.00 0.00 H new ATOM 789 N SER A 51 7.499 12.945 -9.849 1.00 0.00 N ATOM 790 CA SER A 51 6.944 11.783 -9.176 1.00 0.00 C ATOM 791 C SER A 51 6.646 12.117 -7.713 1.00 0.00 C ATOM 792 O SER A 51 7.280 12.999 -7.133 1.00 0.00 O ATOM 793 CB SER A 51 7.895 10.588 -9.264 1.00 0.00 C ATOM 794 OG SER A 51 9.160 10.867 -8.669 1.00 0.00 O ATOM 0 H SER A 51 8.154 13.490 -9.288 1.00 0.00 H new ATOM 0 HA SER A 51 6.015 11.511 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.443 9.728 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.038 10.315 -10.309 1.00 0.00 H new ATOM 0 HG SER A 51 9.738 10.079 -8.744 1.00 0.00 H new ATOM 800 N THR A 52 5.683 11.398 -7.159 1.00 0.00 N ATOM 801 CA THR A 52 5.294 11.606 -5.775 1.00 0.00 C ATOM 802 C THR A 52 4.892 10.280 -5.127 1.00 0.00 C ATOM 803 O THR A 52 4.137 9.503 -5.710 1.00 0.00 O ATOM 804 CB THR A 52 4.181 12.657 -5.750 1.00 0.00 C ATOM 805 OG1 THR A 52 4.866 13.893 -5.928 1.00 0.00 O ATOM 806 CG2 THR A 52 3.529 12.787 -4.371 1.00 0.00 C ATOM 0 H THR A 52 5.159 10.669 -7.644 1.00 0.00 H new ATOM 0 HA THR A 52 6.129 11.980 -5.182 1.00 0.00 H new ATOM 0 HB THR A 52 3.421 12.398 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.219 14.629 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.747 13.545 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.093 11.830 -4.083 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.282 13.078 -3.639 1.00 0.00 H new ATOM 814 N ASP A 53 5.414 10.061 -3.929 1.00 0.00 N ATOM 815 CA ASP A 53 5.120 8.842 -3.196 1.00 0.00 C ATOM 816 C ASP A 53 4.091 9.145 -2.104 1.00 0.00 C ATOM 817 O ASP A 53 4.434 9.698 -1.060 1.00 0.00 O ATOM 818 CB ASP A 53 6.376 8.287 -2.522 1.00 0.00 C ATOM 819 CG ASP A 53 7.591 8.139 -3.440 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.365 7.909 -4.648 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.718 8.260 -2.914 1.00 0.00 O ATOM 0 H ASP A 53 6.039 10.708 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 53 4.737 8.107 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.644 8.941 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.141 7.312 -2.096 1.00 0.00 H new ATOM 826 N TYR A 54 2.852 8.768 -2.382 1.00 0.00 N ATOM 827 CA TYR A 54 1.772 8.993 -1.436 1.00 0.00 C ATOM 828 C TYR A 54 1.006 7.697 -1.161 1.00 0.00 C ATOM 829 O TYR A 54 1.052 6.762 -1.960 1.00 0.00 O ATOM 830 CB TYR A 54 0.830 9.997 -2.102 1.00 0.00 C ATOM 831 CG TYR A 54 1.130 11.456 -1.755 1.00 0.00 C ATOM 832 CD1 TYR A 54 2.394 11.969 -1.959 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.134 12.261 -1.236 1.00 0.00 C ATOM 834 CE1 TYR A 54 2.676 13.342 -1.631 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.416 13.634 -0.909 1.00 0.00 C ATOM 836 CZ TYR A 54 1.673 14.107 -1.123 1.00 0.00 C ATOM 837 OH TYR A 54 1.940 15.405 -0.813 1.00 0.00 O ATOM 0 H TYR A 54 2.572 8.308 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 54 2.163 9.355 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.888 9.872 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.195 9.768 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.173 11.340 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.856 11.860 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.662 13.755 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.353 14.274 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 54 1.130 15.830 -0.461 1.00 0.00 H new ATOM 847 N GLY A 55 0.318 7.683 -0.028 1.00 0.00 N ATOM 848 CA GLY A 55 -0.457 6.516 0.361 1.00 0.00 C ATOM 849 C GLY A 55 0.311 5.658 1.368 1.00 0.00 C ATOM 850 O GLY A 55 1.537 5.578 1.312 1.00 0.00 O ATOM 0 H GLY A 55 0.281 8.460 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.405 6.833 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.694 5.922 -0.522 1.00 0.00 H new ATOM 854 N ILE A 56 -0.441 5.038 2.265 1.00 0.00 N ATOM 855 CA ILE A 56 0.154 4.189 3.282 1.00 0.00 C ATOM 856 C ILE A 56 1.071 3.164 2.612 1.00 0.00 C ATOM 857 O ILE A 56 2.080 2.758 3.187 1.00 0.00 O ATOM 858 CB ILE A 56 -0.931 3.561 4.158 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.349 3.074 5.487 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.665 2.447 3.410 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.430 3.001 6.566 1.00 0.00 C ATOM 0 H ILE A 56 -1.458 5.107 2.308 1.00 0.00 H new ATOM 0 HA ILE A 56 0.774 4.780 3.956 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.668 4.329 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.102 2.091 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.446 3.747 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.431 2.018 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.133 2.857 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.955 1.671 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.989 2.652 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.862 3.991 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.211 2.308 6.252 1.00 0.00 H new ATOM 873 N PHE A 57 0.688 2.774 1.405 1.00 0.00 N ATOM 874 CA PHE A 57 1.464 1.805 0.650 1.00 0.00 C ATOM 875 C PHE A 57 2.513 2.499 -0.221 1.00 0.00 C ATOM 876 O PHE A 57 2.976 1.935 -1.210 1.00 0.00 O ATOM 877 CB PHE A 57 0.483 1.055 -0.255 1.00 0.00 C ATOM 878 CG PHE A 57 -0.392 0.040 0.483 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.175 -0.855 1.336 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.737 0.032 0.286 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.637 -1.797 2.021 1.00 0.00 C ATOM 882 CE2 PHE A 57 -2.550 -0.910 0.970 1.00 0.00 C ATOM 883 CZ PHE A 57 -1.982 -1.805 1.824 1.00 0.00 C ATOM 0 H PHE A 57 -0.150 3.112 0.931 1.00 0.00 H new ATOM 0 HA PHE A 57 1.985 1.133 1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.161 1.779 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.045 0.538 -1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.244 -0.849 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.187 0.743 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.186 -2.507 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.618 -0.916 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.600 -2.521 2.345 1.00 0.00 H new ATOM 893 N GLN A 58 2.856 3.714 0.180 1.00 0.00 N ATOM 894 CA GLN A 58 3.842 4.492 -0.552 1.00 0.00 C ATOM 895 C GLN A 58 3.695 4.256 -2.056 1.00 0.00 C ATOM 896 O GLN A 58 4.587 3.692 -2.690 1.00 0.00 O ATOM 897 CB GLN A 58 5.260 4.162 -0.081 1.00 0.00 C ATOM 898 CG GLN A 58 6.140 5.414 -0.069 1.00 0.00 C ATOM 899 CD GLN A 58 6.582 5.759 1.355 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.510 5.184 1.901 1.00 0.00 O ATOM 901 NE2 GLN A 58 5.868 6.726 1.924 1.00 0.00 N ATOM 0 H GLN A 58 2.469 4.179 1.001 1.00 0.00 H new ATOM 0 HA GLN A 58 3.664 5.548 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.223 3.730 0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.699 3.411 -0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.016 5.253 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.591 6.253 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.104 7.165 1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.084 7.028 2.874 1.00 0.00 H new ATOM 910 N ILE A 59 2.564 4.700 -2.585 1.00 0.00 N ATOM 911 CA ILE A 59 2.288 4.543 -4.003 1.00 0.00 C ATOM 912 C ILE A 59 2.830 5.758 -4.760 1.00 0.00 C ATOM 913 O ILE A 59 2.617 6.896 -4.346 1.00 0.00 O ATOM 914 CB ILE A 59 0.798 4.289 -4.234 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.461 2.807 -4.057 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.358 4.818 -5.601 1.00 0.00 C ATOM 917 CD1 ILE A 59 -1.049 2.600 -3.925 1.00 0.00 C ATOM 0 H ILE A 59 1.828 5.169 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 59 2.801 3.666 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 59 0.236 4.839 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.836 2.241 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.964 2.419 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.706 4.625 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.542 5.891 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.924 4.315 -6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.261 1.538 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.417 3.148 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.546 2.966 -4.823 1.00 0.00 H new ATOM 929 N ASN A 60 3.520 5.473 -5.854 1.00 0.00 N ATOM 930 CA ASN A 60 4.094 6.528 -6.673 1.00 0.00 C ATOM 931 C ASN A 60 3.002 7.131 -7.559 1.00 0.00 C ATOM 932 O ASN A 60 2.332 6.414 -8.301 1.00 0.00 O ATOM 933 CB ASN A 60 5.194 5.982 -7.585 1.00 0.00 C ATOM 934 CG ASN A 60 6.579 6.379 -7.070 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.055 7.483 -7.282 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.197 5.421 -6.386 1.00 0.00 N ATOM 0 H ASN A 60 3.695 4.527 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 60 4.518 7.278 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.120 4.896 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.055 6.363 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.127 5.588 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.741 4.519 -6.245 1.00 0.00 H new ATOM 943 N SER A 61 2.855 8.444 -7.452 1.00 0.00 N ATOM 944 CA SER A 61 1.856 9.151 -8.234 1.00 0.00 C ATOM 945 C SER A 61 2.394 9.435 -9.637 1.00 0.00 C ATOM 946 O SER A 61 1.758 10.139 -10.420 1.00 0.00 O ATOM 947 CB SER A 61 1.443 10.456 -7.550 1.00 0.00 C ATOM 948 OG SER A 61 0.765 11.335 -8.443 1.00 0.00 O ATOM 0 H SER A 61 3.411 9.036 -6.835 1.00 0.00 H new ATOM 0 HA SER A 61 0.972 8.518 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.797 10.232 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.328 10.954 -7.154 1.00 0.00 H new ATOM 0 HG SER A 61 -0.202 11.194 -8.370 1.00 0.00 H new ATOM 954 N ARG A 62 3.562 8.872 -9.914 1.00 0.00 N ATOM 955 CA ARG A 62 4.193 9.056 -11.209 1.00 0.00 C ATOM 956 C ARG A 62 3.711 7.987 -12.191 1.00 0.00 C ATOM 957 O ARG A 62 4.280 7.827 -13.270 1.00 0.00 O ATOM 958 CB ARG A 62 5.717 8.982 -11.095 1.00 0.00 C ATOM 959 CG ARG A 62 6.170 7.577 -10.692 1.00 0.00 C ATOM 960 CD ARG A 62 7.345 7.112 -11.555 1.00 0.00 C ATOM 961 NE ARG A 62 7.624 5.681 -11.301 1.00 0.00 N ATOM 962 CZ ARG A 62 8.164 5.211 -10.168 1.00 0.00 C ATOM 963 NH1 ARG A 62 8.488 6.055 -9.180 1.00 0.00 N ATOM 964 NH2 ARG A 62 8.383 3.896 -10.026 1.00 0.00 N ATOM 0 H ARG A 62 4.087 8.288 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 62 3.914 10.044 -11.575 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.170 9.254 -12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.066 9.706 -10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.461 7.572 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.339 6.879 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.115 7.265 -12.610 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.229 7.709 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 62 7.391 5.011 -12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.324 7.056 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.899 5.697 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.139 3.254 -10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.794 3.538 -9.164 1.00 0.00 H new ATOM 978 N TYR A 63 2.666 7.281 -11.783 1.00 0.00 N ATOM 979 CA TYR A 63 2.100 6.232 -12.613 1.00 0.00 C ATOM 980 C TYR A 63 0.650 5.944 -12.221 1.00 0.00 C ATOM 981 O TYR A 63 -0.190 5.681 -13.081 1.00 0.00 O ATOM 982 CB TYR A 63 2.945 4.984 -12.350 1.00 0.00 C ATOM 983 CG TYR A 63 3.614 4.410 -13.599 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.842 3.978 -14.659 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.990 4.324 -13.668 1.00 0.00 C ATOM 986 CE1 TYR A 63 3.472 3.438 -15.836 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.620 3.784 -14.845 1.00 0.00 C ATOM 988 CZ TYR A 63 4.830 3.367 -15.870 1.00 0.00 C ATOM 989 OH TYR A 63 5.424 2.857 -16.982 1.00 0.00 O ATOM 0 H TYR A 63 2.197 7.416 -10.887 1.00 0.00 H new ATOM 0 HA TYR A 63 2.106 6.528 -13.662 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.715 5.227 -11.617 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.312 4.217 -11.905 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.765 4.045 -14.605 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.594 4.662 -12.839 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.880 3.097 -16.672 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.696 3.712 -14.912 1.00 0.00 H new ATOM 0 HH TYR A 63 6.397 2.868 -16.867 1.00 0.00 H new ATOM 999 N TRP A 64 0.399 6.004 -10.921 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.936 5.752 -10.404 1.00 0.00 C ATOM 1001 C TRP A 64 -1.440 7.041 -9.751 1.00 0.00 C ATOM 1002 O TRP A 64 -0.667 7.970 -9.524 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.937 4.558 -9.448 1.00 0.00 C ATOM 1004 CG TRP A 64 -0.434 3.257 -10.076 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.638 2.533 -9.728 1.00 0.00 C ATOM 1006 CD2 TRP A 64 -1.032 2.549 -11.183 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.775 1.416 -10.527 1.00 0.00 N ATOM 1008 CE2 TRP A 64 -0.273 1.426 -11.440 1.00 0.00 C ATOM 1009 CE3 TRP A 64 -2.177 2.849 -11.942 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 -0.575 0.512 -12.457 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 -2.465 1.926 -12.955 1.00 0.00 C ATOM 1012 CH2 TRP A 64 -1.711 0.790 -13.226 1.00 0.00 C ATOM 0 H TRP A 64 1.097 6.223 -10.211 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.617 5.480 -11.210 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.316 4.797 -8.585 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.951 4.403 -9.078 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.311 2.791 -8.923 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.510 0.712 -10.460 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.786 3.722 -11.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.036 -0.360 -12.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.334 2.110 -13.569 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.000 0.125 -14.026 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.735 7.056 -9.468 1.00 0.00 N ATOM 1024 CA CYS A 65 -3.352 8.215 -8.847 1.00 0.00 C ATOM 1025 C CYS A 65 -3.137 9.423 -9.763 1.00 0.00 C ATOM 1026 O CYS A 65 -2.183 9.456 -10.538 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.803 8.462 -7.440 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.690 9.907 -7.293 1.00 0.00 S ATOM 0 H CYS A 65 -3.373 6.283 -9.658 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.421 8.039 -8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.641 8.596 -6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.265 7.572 -7.114 1.00 0.00 H new ATOM 1033 N ASN A 66 -4.041 10.384 -9.642 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.963 11.590 -10.449 1.00 0.00 C ATOM 1035 C ASN A 66 -3.501 12.756 -9.573 1.00 0.00 C ATOM 1036 O ASN A 66 -3.134 12.559 -8.416 1.00 0.00 O ATOM 1037 CB ASN A 66 -5.331 11.950 -11.034 1.00 0.00 C ATOM 1038 CG ASN A 66 -6.229 12.590 -9.974 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -7.314 11.879 -9.684 1.00 0.00 O flip ATOM 1040 ND2 ASN A 66 -5.954 13.659 -9.454 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.831 10.352 -8.998 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.260 11.408 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.203 12.637 -11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.809 11.053 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.103 14.153 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.575 14.058 -8.750 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.535 13.944 -10.160 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.125 15.141 -9.446 1.00 0.00 C ATOM 1049 C ASP A 67 -3.668 16.374 -10.173 1.00 0.00 C ATOM 1050 O ASP A 67 -4.204 17.284 -9.544 1.00 0.00 O ATOM 1051 CB ASP A 67 -1.600 15.257 -9.396 1.00 0.00 C ATOM 1052 CG ASP A 67 -1.069 16.600 -8.892 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -1.792 17.230 -8.089 1.00 0.00 O ATOM 1054 OD2 ASP A 67 0.046 16.967 -9.320 1.00 0.00 O ATOM 0 H ASP A 67 -3.840 14.103 -11.120 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.516 15.079 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.212 14.466 -8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.204 15.079 -10.396 1.00 0.00 H new ATOM 1059 N GLY A 68 -3.511 16.363 -11.488 1.00 0.00 N ATOM 1060 CA GLY A 68 -3.978 17.467 -12.308 1.00 0.00 C ATOM 1061 C GLY A 68 -3.073 18.690 -12.147 1.00 0.00 C ATOM 1062 O GLY A 68 -3.331 19.740 -12.735 1.00 0.00 O ATOM 0 H GLY A 68 -3.066 15.606 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.002 17.163 -13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.999 17.726 -12.028 1.00 0.00 H new ATOM 1066 N LYS A 69 -2.031 18.515 -11.348 1.00 0.00 N ATOM 1067 CA LYS A 69 -1.086 19.592 -11.103 1.00 0.00 C ATOM 1068 C LYS A 69 0.184 19.345 -11.919 1.00 0.00 C ATOM 1069 O LYS A 69 1.126 20.134 -11.864 1.00 0.00 O ATOM 1070 CB LYS A 69 -0.832 19.750 -9.602 1.00 0.00 C ATOM 1071 CG LYS A 69 -0.857 21.224 -9.195 1.00 0.00 C ATOM 1072 CD LYS A 69 0.557 21.804 -9.145 1.00 0.00 C ATOM 1073 CE LYS A 69 0.925 22.229 -7.721 1.00 0.00 C ATOM 1074 NZ LYS A 69 2.329 22.694 -7.665 1.00 0.00 N ATOM 0 H LYS A 69 -1.820 17.644 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.499 20.545 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.589 19.201 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.133 19.314 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.461 21.790 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.331 21.327 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.271 21.062 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.626 22.662 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.259 23.025 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.786 21.391 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.562 22.978 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.962 21.924 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.451 23.507 -8.302 1.00 0.00 H new ATOM 1088 N THR A 70 0.170 18.245 -12.658 1.00 0.00 N ATOM 1089 CA THR A 70 1.309 17.884 -13.485 1.00 0.00 C ATOM 1090 C THR A 70 0.838 17.238 -14.789 1.00 0.00 C ATOM 1091 O THR A 70 0.400 16.089 -14.793 1.00 0.00 O ATOM 1092 CB THR A 70 2.228 16.983 -12.657 1.00 0.00 C ATOM 1093 OG1 THR A 70 3.039 17.896 -11.921 1.00 0.00 O ATOM 1094 CG2 THR A 70 3.226 16.211 -13.522 1.00 0.00 C ATOM 0 H THR A 70 -0.612 17.592 -12.701 1.00 0.00 H new ATOM 0 HA THR A 70 1.877 18.766 -13.783 1.00 0.00 H new ATOM 0 HB THR A 70 1.625 16.279 -12.083 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.573 18.754 -11.838 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.853 15.588 -12.885 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.685 15.580 -14.227 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.852 16.914 -14.071 1.00 0.00 H new ATOM 1102 N PRO A 71 0.949 18.024 -15.893 1.00 0.00 N ATOM 1103 CA PRO A 71 0.540 17.540 -17.200 1.00 0.00 C ATOM 1104 C PRO A 71 1.561 16.548 -17.762 1.00 0.00 C ATOM 1105 O PRO A 71 2.077 16.738 -18.863 1.00 0.00 O ATOM 1106 CB PRO A 71 0.393 18.789 -18.054 1.00 0.00 C ATOM 1107 CG PRO A 71 1.171 19.879 -17.334 1.00 0.00 C ATOM 1108 CD PRO A 71 1.465 19.389 -15.926 1.00 0.00 C ATOM 0 HA PRO A 71 -0.396 16.983 -17.168 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.787 18.625 -19.057 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.656 19.065 -18.165 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.098 20.099 -17.863 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.594 20.803 -17.304 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.534 19.413 -15.713 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.977 20.015 -15.179 1.00 0.00 H new ATOM 1116 N ARG A 72 1.822 15.510 -16.981 1.00 0.00 N ATOM 1117 CA ARG A 72 2.772 14.488 -17.386 1.00 0.00 C ATOM 1118 C ARG A 72 2.397 13.139 -16.767 1.00 0.00 C ATOM 1119 O ARG A 72 2.414 12.115 -17.446 1.00 0.00 O ATOM 1120 CB ARG A 72 4.194 14.859 -16.963 1.00 0.00 C ATOM 1121 CG ARG A 72 5.228 14.038 -17.736 1.00 0.00 C ATOM 1122 CD ARG A 72 6.371 13.593 -16.820 1.00 0.00 C ATOM 1123 NE ARG A 72 7.642 13.562 -17.576 1.00 0.00 N ATOM 1124 CZ ARG A 72 7.908 12.696 -18.564 1.00 0.00 C ATOM 1125 NH1 ARG A 72 6.993 11.784 -18.920 1.00 0.00 N ATOM 1126 NH2 ARG A 72 9.089 12.741 -19.194 1.00 0.00 N ATOM 0 H ARG A 72 1.392 15.355 -16.069 1.00 0.00 H new ATOM 0 HA ARG A 72 2.737 14.415 -18.473 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.364 15.921 -17.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.315 14.689 -15.893 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.748 13.164 -18.176 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.627 14.631 -18.559 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.458 14.276 -15.975 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.157 12.605 -16.411 1.00 0.00 H new ATOM 0 HE ARG A 72 8.361 14.242 -17.330 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.094 11.749 -18.439 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.195 11.125 -19.672 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.786 13.434 -18.922 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.291 12.082 -19.946 1.00 0.00 H new ATOM 1140 N ALA A 73 2.067 13.185 -15.484 1.00 0.00 N ATOM 1141 CA ALA A 73 1.689 11.980 -14.766 1.00 0.00 C ATOM 1142 C ALA A 73 0.627 11.225 -15.567 1.00 0.00 C ATOM 1143 O ALA A 73 0.218 11.673 -16.637 1.00 0.00 O ATOM 1144 CB ALA A 73 1.206 12.353 -13.362 1.00 0.00 C ATOM 0 H ALA A 73 2.054 14.037 -14.924 1.00 0.00 H new ATOM 0 HA ALA A 73 2.547 11.317 -14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.922 11.449 -12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.007 12.860 -12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.344 13.016 -13.438 1.00 0.00 H new ATOM 1150 N VAL A 74 0.212 10.094 -15.019 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.795 9.272 -15.670 1.00 0.00 C ATOM 1152 C VAL A 74 -1.608 8.531 -14.607 1.00 0.00 C ATOM 1153 O VAL A 74 -1.200 7.470 -14.135 1.00 0.00 O ATOM 1154 CB VAL A 74 -0.131 8.331 -16.678 1.00 0.00 C ATOM 1155 CG1 VAL A 74 -0.602 8.634 -18.102 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.394 8.408 -16.578 1.00 0.00 C ATOM 0 H VAL A 74 0.554 9.726 -14.131 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.489 9.895 -16.235 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.432 7.312 -16.434 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.116 7.952 -18.799 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.683 8.505 -18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.344 9.661 -18.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.841 7.730 -17.305 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.721 9.427 -16.784 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.708 8.122 -15.574 1.00 0.00 H new ATOM 1166 N ASN A 75 -2.744 9.117 -14.260 1.00 0.00 N ATOM 1167 CA ASN A 75 -3.618 8.526 -13.261 1.00 0.00 C ATOM 1168 C ASN A 75 -4.217 7.233 -13.816 1.00 0.00 C ATOM 1169 O ASN A 75 -5.432 7.126 -13.977 1.00 0.00 O ATOM 1170 CB ASN A 75 -4.771 9.470 -12.911 1.00 0.00 C ATOM 1171 CG ASN A 75 -5.717 9.644 -14.100 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -5.324 9.587 -15.253 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -6.984 9.859 -13.756 1.00 0.00 N ATOM 0 H ASN A 75 -3.080 9.996 -14.653 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.026 8.332 -12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.323 9.075 -12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.374 10.440 -12.613 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.693 9.988 -14.477 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.246 9.895 -12.771 1.00 0.00 H new ATOM 1180 N ALA A 76 -3.337 6.281 -14.092 1.00 0.00 N ATOM 1181 CA ALA A 76 -3.764 4.999 -14.626 1.00 0.00 C ATOM 1182 C ALA A 76 -4.714 4.329 -13.631 1.00 0.00 C ATOM 1183 O ALA A 76 -5.425 3.388 -13.983 1.00 0.00 O ATOM 1184 CB ALA A 76 -2.536 4.139 -14.931 1.00 0.00 C ATOM 0 H ALA A 76 -2.330 6.372 -13.956 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.308 5.133 -15.561 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.856 3.177 -15.332 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.909 4.647 -15.664 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.967 3.979 -14.015 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.694 4.838 -12.408 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.544 4.300 -11.360 1.00 0.00 C ATOM 1192 C CYS A 77 -6.882 5.043 -11.397 1.00 0.00 C ATOM 1193 O CYS A 77 -7.924 4.466 -11.093 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.877 4.395 -9.986 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.424 3.134 -8.777 1.00 0.00 S ATOM 0 H CYS A 77 -4.102 5.617 -12.120 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.714 3.238 -11.536 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.798 4.310 -10.115 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.071 5.384 -9.571 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.806 6.311 -11.771 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.999 7.139 -11.852 1.00 0.00 C ATOM 1202 C GLY A 78 -8.589 7.387 -10.462 1.00 0.00 C ATOM 1203 O GLY A 78 -9.780 7.172 -10.243 1.00 0.00 O ATOM 0 H GLY A 78 -5.939 6.786 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.754 8.091 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.741 6.653 -12.485 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.729 7.836 -9.561 1.00 0.00 N ATOM 1208 CA ILE A 79 -8.150 8.116 -8.199 1.00 0.00 C ATOM 1209 C ILE A 79 -7.268 9.220 -7.613 1.00 0.00 C ATOM 1210 O ILE A 79 -6.054 9.053 -7.497 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.163 6.832 -7.368 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.882 6.701 -6.541 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.401 5.607 -8.253 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.672 6.445 -7.443 1.00 0.00 C ATOM 0 H ILE A 79 -6.742 8.013 -9.747 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.175 8.487 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.995 6.889 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.723 7.611 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.987 5.884 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.405 4.708 -7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.361 5.705 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.606 5.534 -8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.774 6.356 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.824 5.521 -8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.555 7.275 -8.139 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.910 10.323 -7.259 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.199 11.453 -6.688 1.00 0.00 C ATOM 1228 C ASN A 80 -6.320 10.967 -5.534 1.00 0.00 C ATOM 1229 O ASN A 80 -6.811 10.343 -4.595 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.174 12.495 -6.133 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.451 13.590 -7.165 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -7.555 14.256 -7.658 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.738 13.737 -7.464 1.00 0.00 N ATOM 0 H ASN A 80 -8.916 10.458 -7.357 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.598 11.906 -7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.109 12.010 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.761 12.940 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.027 14.441 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.437 13.146 -7.014 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.035 11.272 -5.641 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.083 10.873 -4.619 1.00 0.00 C ATOM 1242 C CYS A 81 -4.660 11.249 -3.253 1.00 0.00 C ATOM 1243 O CYS A 81 -4.344 10.617 -2.246 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.708 11.503 -4.849 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.400 10.328 -5.354 1.00 0.00 S ATOM 0 H CYS A 81 -4.631 11.791 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.928 9.795 -4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.800 12.273 -5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.394 12.002 -3.932 1.00 0.00 H new ATOM 1250 N SER A 82 -5.498 12.276 -3.262 1.00 0.00 N ATOM 1251 CA SER A 82 -6.123 12.743 -2.035 1.00 0.00 C ATOM 1252 C SER A 82 -6.912 11.606 -1.385 1.00 0.00 C ATOM 1253 O SER A 82 -7.030 11.549 -0.161 1.00 0.00 O ATOM 1254 CB SER A 82 -7.038 13.940 -2.305 1.00 0.00 C ATOM 1255 OG SER A 82 -6.825 14.996 -1.372 1.00 0.00 O ATOM 0 H SER A 82 -5.759 12.798 -4.099 1.00 0.00 H new ATOM 0 HA SER A 82 -5.338 13.068 -1.352 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.864 14.309 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.079 13.619 -2.258 1.00 0.00 H new ATOM 0 HG SER A 82 -7.426 15.742 -1.579 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.432 10.730 -2.230 1.00 0.00 N ATOM 1262 CA ALA A 83 -8.207 9.597 -1.753 1.00 0.00 C ATOM 1263 C ALA A 83 -7.315 8.700 -0.893 1.00 0.00 C ATOM 1264 O ALA A 83 -7.809 7.948 -0.054 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.808 8.850 -2.945 1.00 0.00 C ATOM 0 H ALA A 83 -7.332 10.781 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.035 9.935 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.389 8.000 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.457 9.522 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.007 8.494 -3.593 1.00 0.00 H new ATOM 1271 N LEU A 84 -6.015 8.810 -1.130 1.00 0.00 N ATOM 1272 CA LEU A 84 -5.050 8.017 -0.387 1.00 0.00 C ATOM 1273 C LEU A 84 -4.422 8.883 0.707 1.00 0.00 C ATOM 1274 O LEU A 84 -3.410 8.506 1.296 1.00 0.00 O ATOM 1275 CB LEU A 84 -4.028 7.390 -1.338 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.598 6.729 -2.594 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -4.190 7.498 -3.852 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.197 5.255 -2.669 1.00 0.00 C ATOM 0 H LEU A 84 -5.608 9.436 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.543 7.182 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.325 8.164 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.458 6.643 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.686 6.764 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.608 7.007 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.567 8.519 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.103 7.517 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.616 4.810 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.110 5.174 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.579 4.729 -1.794 1.00 0.00 H new ATOM 1290 N LEU A 85 -5.047 10.026 0.946 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.562 10.947 1.958 1.00 0.00 C ATOM 1292 C LEU A 85 -5.602 11.067 3.075 1.00 0.00 C ATOM 1293 O LEU A 85 -5.459 11.890 3.976 1.00 0.00 O ATOM 1294 CB LEU A 85 -4.183 12.288 1.326 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.889 12.928 1.835 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -2.498 14.132 0.976 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -3.006 13.294 3.316 1.00 0.00 C ATOM 0 H LEU A 85 -5.886 10.335 0.455 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.648 10.565 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.096 12.148 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.001 12.989 1.491 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.087 12.196 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.575 14.568 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.347 13.810 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.293 14.877 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.074 13.747 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.824 14.002 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.204 12.394 3.899 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.626 10.231 2.977 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.690 10.232 3.966 1.00 0.00 C ATOM 1311 C GLN A 86 -7.572 9.006 4.873 1.00 0.00 C ATOM 1312 O GLN A 86 -6.494 8.429 5.006 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.063 10.287 3.294 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.391 8.960 2.607 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.819 8.966 2.056 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.648 9.783 2.419 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -11.057 8.010 1.162 1.00 0.00 N ATOM 0 H GLN A 86 -6.741 9.549 2.228 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.587 11.126 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.827 10.514 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.081 11.094 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.685 8.782 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.274 8.141 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.316 7.358 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.980 7.929 0.735 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.696 8.645 5.475 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.731 7.498 6.367 1.00 0.00 C ATOM 1328 C ASP A 87 -9.083 6.245 5.564 1.00 0.00 C ATOM 1329 O ASP A 87 -8.316 5.282 5.542 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.796 7.678 7.452 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.766 8.838 7.221 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -11.312 8.907 6.100 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -10.938 9.630 8.172 1.00 0.00 O ATOM 0 H ASP A 87 -9.588 9.126 5.363 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.751 7.403 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.370 6.755 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.296 7.827 8.409 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.241 6.296 4.923 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.703 5.175 4.121 1.00 0.00 C ATOM 1340 C ASP A 88 -9.580 4.730 3.181 1.00 0.00 C ATOM 1341 O ASP A 88 -9.233 5.443 2.242 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.907 5.572 3.264 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.913 6.498 3.951 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.921 6.500 5.201 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.651 7.182 3.209 1.00 0.00 O ATOM 0 H ASP A 88 -10.874 7.096 4.942 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.991 4.371 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.545 6.061 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.425 4.666 2.951 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.044 3.552 3.468 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.968 3.003 2.661 1.00 0.00 C ATOM 1352 C ILE A 89 -8.561 2.318 1.428 1.00 0.00 C ATOM 1353 O ILE A 89 -7.832 1.729 0.631 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.078 2.089 3.505 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.813 0.800 3.877 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.550 2.825 4.739 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.827 -0.289 4.305 1.00 0.00 C ATOM 0 H ILE A 89 -9.335 2.963 4.248 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.316 3.799 2.301 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.213 1.805 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.515 0.998 4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.398 0.452 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.920 2.153 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.965 3.689 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.389 3.158 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.375 -1.195 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.141 -0.502 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.261 0.053 5.171 1.00 0.00 H new ATOM 1369 N THR A 90 -9.877 2.417 1.310 1.00 0.00 N ATOM 1370 CA THR A 90 -10.575 1.814 0.188 1.00 0.00 C ATOM 1371 C THR A 90 -9.839 2.111 -1.120 1.00 0.00 C ATOM 1372 O THR A 90 -9.804 1.274 -2.021 1.00 0.00 O ATOM 1373 CB THR A 90 -12.018 2.320 0.201 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.609 1.718 -0.946 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.115 3.822 -0.074 1.00 0.00 C ATOM 0 H THR A 90 -10.478 2.906 1.973 1.00 0.00 H new ATOM 0 HA THR A 90 -10.596 0.728 0.273 1.00 0.00 H new ATOM 0 HB THR A 90 -12.470 2.098 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.547 1.992 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.161 4.129 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.561 4.368 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.692 4.040 -1.055 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.269 3.306 -1.183 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.536 3.724 -2.366 1.00 0.00 C ATOM 1385 C ALA A 91 -7.200 2.980 -2.423 1.00 0.00 C ATOM 1386 O ALA A 91 -6.748 2.590 -3.499 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.356 5.244 -2.344 1.00 0.00 C ATOM 0 H ALA A 91 -9.300 3.998 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.091 3.474 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.806 5.558 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.334 5.726 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.800 5.532 -1.452 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.606 2.804 -1.251 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.332 2.114 -1.154 1.00 0.00 C ATOM 1395 C ALA A 92 -5.511 0.657 -1.590 1.00 0.00 C ATOM 1396 O ALA A 92 -4.663 0.106 -2.289 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.793 2.234 0.273 1.00 0.00 C ATOM 0 H ALA A 92 -6.984 3.128 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.598 2.569 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.837 1.716 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.656 3.286 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.502 1.786 0.969 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.621 0.077 -1.157 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.922 -1.305 -1.492 1.00 0.00 C ATOM 1405 C ILE A 93 -7.289 -1.395 -2.975 1.00 0.00 C ATOM 1406 O ILE A 93 -6.773 -2.249 -3.695 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.997 -1.861 -0.557 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.693 -1.507 0.900 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -8.171 -3.367 -0.757 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.668 -2.207 1.849 1.00 0.00 C ATOM 0 H ILE A 93 -7.322 0.538 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.045 -1.935 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.947 -1.391 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.671 -1.798 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.758 -0.428 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.941 -3.737 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.467 -3.565 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.229 -3.873 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.430 -1.938 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.687 -1.895 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.583 -3.287 1.727 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.179 -0.504 -3.387 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.621 -0.474 -4.771 1.00 0.00 C ATOM 1424 C GLN A 94 -7.423 -0.299 -5.707 1.00 0.00 C ATOM 1425 O GLN A 94 -7.275 -1.043 -6.676 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.655 0.632 -4.991 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.318 0.497 -6.364 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.492 1.468 -6.504 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -12.588 1.229 -6.025 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -11.202 2.574 -7.184 1.00 0.00 N ATOM 0 H GLN A 94 -8.606 0.202 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.100 -1.426 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.414 0.586 -4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.173 1.606 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.585 0.692 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -10.669 -0.526 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.263 2.711 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.918 3.285 -7.331 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.600 0.688 -5.386 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.421 0.969 -6.186 1.00 0.00 C ATOM 1441 C CYS A 95 -4.435 -0.188 -6.011 1.00 0.00 C ATOM 1442 O CYS A 95 -3.821 -0.636 -6.978 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.794 2.314 -5.815 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.037 3.220 -7.215 1.00 0.00 S ATOM 0 H CYS A 95 -6.727 1.303 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.701 1.050 -7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.561 2.944 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.032 2.146 -5.054 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.314 -0.638 -4.771 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.412 -1.734 -4.457 1.00 0.00 C ATOM 1451 C ALA A 96 -3.677 -2.897 -5.416 1.00 0.00 C ATOM 1452 O ALA A 96 -2.749 -3.426 -6.026 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.588 -2.136 -2.991 1.00 0.00 C ATOM 0 H ALA A 96 -4.825 -0.264 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.374 -1.427 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.912 -2.958 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.361 -1.284 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.617 -2.453 -2.822 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.947 -3.259 -5.518 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.345 -4.350 -6.393 1.00 0.00 C ATOM 1461 C LYS A 97 -5.210 -3.904 -7.850 1.00 0.00 C ATOM 1462 O LYS A 97 -4.768 -4.675 -8.701 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.746 -4.845 -6.029 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.797 -3.767 -6.301 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.183 -4.386 -6.485 1.00 0.00 C ATOM 1466 CE LYS A 97 -10.284 -3.365 -6.188 1.00 0.00 C ATOM 1467 NZ LYS A 97 -11.524 -3.713 -6.918 1.00 0.00 N ATOM 0 H LYS A 97 -5.713 -2.817 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.685 -5.207 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.980 -5.740 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.774 -5.127 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.819 -3.058 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.524 -3.205 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.289 -4.753 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.292 -5.246 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.482 -3.336 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.952 -2.368 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.261 -3.010 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.335 -3.718 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.849 -4.655 -6.621 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.600 -2.662 -8.095 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.528 -2.104 -9.434 1.00 0.00 C ATOM 1483 C ARG A 98 -4.071 -2.014 -9.895 1.00 0.00 C ATOM 1484 O ARG A 98 -3.798 -1.940 -11.092 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.159 -0.711 -9.486 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.286 -0.219 -10.929 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.633 0.470 -11.156 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.769 0.858 -12.579 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.036 -0.003 -13.570 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -8.199 -1.305 -13.301 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.142 0.440 -14.830 1.00 0.00 N ATOM 0 H ARG A 98 -5.967 -2.026 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.083 -2.766 -10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.144 -0.736 -9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.552 -0.011 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.476 0.475 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.184 -1.060 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.446 -0.199 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.711 1.352 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.652 1.842 -12.819 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.120 -1.641 -12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.402 -1.960 -14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.019 1.432 -15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.345 -0.215 -15.585 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.174 -2.023 -8.919 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.752 -1.944 -9.210 1.00 0.00 C ATOM 1507 C VAL A 99 -1.195 -3.357 -9.389 1.00 0.00 C ATOM 1508 O VAL A 99 -0.630 -3.678 -10.434 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.038 -1.153 -8.113 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.478 -1.336 -8.204 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.417 0.329 -8.170 1.00 0.00 C ATOM 0 H VAL A 99 -3.404 -2.084 -7.927 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.581 -1.407 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.365 -1.545 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.962 -0.763 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.725 -2.392 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.829 -0.984 -9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.896 0.869 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.133 0.740 -9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.493 0.435 -8.033 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.370 -4.164 -8.353 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.889 -5.535 -8.383 1.00 0.00 C ATOM 1523 C VAL A 100 -1.490 -6.256 -9.592 1.00 0.00 C ATOM 1524 O VAL A 100 -0.867 -7.153 -10.155 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.206 -6.230 -7.055 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -2.489 -7.056 -7.162 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.031 -7.096 -6.597 1.00 0.00 C ATOM 0 H VAL A 100 -1.838 -3.895 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 100 0.195 -5.557 -8.497 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.367 -5.459 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.692 -7.539 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.322 -6.403 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.369 -7.816 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.281 -7.578 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.175 -7.857 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.851 -6.470 -6.462 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.692 -5.834 -9.954 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.384 -6.427 -11.086 1.00 0.00 C ATOM 1539 C ARG A 101 -2.474 -6.439 -12.316 1.00 0.00 C ATOM 1540 O ARG A 101 -2.641 -7.270 -13.208 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.664 -5.657 -11.415 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.904 -6.459 -11.013 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.180 -5.793 -11.534 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.913 -6.726 -12.416 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.679 -6.858 -13.729 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -6.730 -6.118 -14.318 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -8.395 -7.730 -14.453 1.00 0.00 N ATOM 0 H ARG A 101 -3.205 -5.088 -9.484 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.649 -7.449 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.661 -4.700 -10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.698 -5.439 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.830 -7.472 -11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.951 -6.544 -9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.813 -5.497 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.929 -4.884 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.642 -7.305 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.186 -5.454 -13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.552 -6.218 -15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.118 -8.293 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.217 -7.831 -15.452 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.531 -5.508 -12.325 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.596 -5.401 -13.431 1.00 0.00 C ATOM 1563 C ASP A 102 0.419 -6.543 -13.348 1.00 0.00 C ATOM 1564 O ASP A 102 0.381 -7.345 -12.416 1.00 0.00 O ATOM 1565 CB ASP A 102 0.174 -4.080 -13.376 1.00 0.00 C ATOM 1566 CG ASP A 102 -0.023 -3.165 -14.586 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.952 -3.454 -15.371 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.761 -2.198 -14.700 1.00 0.00 O ATOM 0 H ASP A 102 -1.395 -4.821 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.166 -5.448 -14.359 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.126 -3.539 -12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.237 -4.300 -13.275 1.00 0.00 H new ATOM 1573 N PRO A 103 1.326 -6.582 -14.361 1.00 0.00 N ATOM 1574 CA PRO A 103 2.349 -7.612 -14.410 1.00 0.00 C ATOM 1575 C PRO A 103 3.452 -7.339 -13.386 1.00 0.00 C ATOM 1576 O PRO A 103 4.419 -8.094 -13.294 1.00 0.00 O ATOM 1577 CB PRO A 103 2.852 -7.598 -15.845 1.00 0.00 C ATOM 1578 CG PRO A 103 2.428 -6.257 -16.422 1.00 0.00 C ATOM 1579 CD PRO A 103 1.401 -5.649 -15.481 1.00 0.00 C ATOM 0 HA PRO A 103 1.967 -8.598 -14.146 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.935 -7.713 -15.880 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.425 -8.422 -16.417 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.289 -5.597 -16.526 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.004 -6.387 -17.418 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.706 -4.656 -15.150 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.433 -5.538 -15.970 1.00 0.00 H new ATOM 1587 N GLN A 104 3.271 -6.258 -12.643 1.00 0.00 N ATOM 1588 CA GLN A 104 4.239 -5.877 -11.629 1.00 0.00 C ATOM 1589 C GLN A 104 4.240 -6.892 -10.485 1.00 0.00 C ATOM 1590 O GLN A 104 5.251 -7.545 -10.230 1.00 0.00 O ATOM 1591 CB GLN A 104 3.960 -4.465 -11.108 1.00 0.00 C ATOM 1592 CG GLN A 104 3.862 -3.464 -12.260 1.00 0.00 C ATOM 1593 CD GLN A 104 5.186 -2.721 -12.455 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.007 -3.070 -13.288 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.348 -1.681 -11.642 1.00 0.00 N ATOM 0 H GLN A 104 2.468 -5.634 -12.723 1.00 0.00 H new ATOM 0 HA GLN A 104 5.229 -5.873 -12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.031 -4.461 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.754 -4.162 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.595 -3.986 -13.179 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.065 -2.748 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.621 -1.443 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.199 -1.121 -11.693 1.00 0.00 H new ATOM 1604 N GLY A 105 3.094 -6.996 -9.828 1.00 0.00 N ATOM 1605 CA GLY A 105 2.950 -7.922 -8.717 1.00 0.00 C ATOM 1606 C GLY A 105 3.587 -7.358 -7.445 1.00 0.00 C ATOM 1607 O GLY A 105 4.392 -6.430 -7.510 1.00 0.00 O ATOM 0 H GLY A 105 2.257 -6.455 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.893 -8.122 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.417 -8.874 -8.970 1.00 0.00 H new ATOM 1611 N ILE A 106 3.202 -7.942 -6.320 1.00 0.00 N ATOM 1612 CA ILE A 106 3.726 -7.509 -5.036 1.00 0.00 C ATOM 1613 C ILE A 106 5.238 -7.302 -5.149 1.00 0.00 C ATOM 1614 O ILE A 106 5.816 -6.504 -4.414 1.00 0.00 O ATOM 1615 CB ILE A 106 3.320 -8.489 -3.933 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.942 -8.139 -3.369 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.388 -8.557 -2.840 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.992 -6.835 -2.569 1.00 0.00 C ATOM 0 H ILE A 106 2.534 -8.711 -6.271 1.00 0.00 H new ATOM 0 HA ILE A 106 3.293 -6.549 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 106 3.244 -9.484 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.225 -8.042 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.590 -8.949 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.075 -9.260 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.331 -8.890 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.520 -7.569 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.000 -6.609 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.692 -6.943 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.321 -6.023 -3.217 1.00 0.00 H new ATOM 1630 N ARG A 107 5.835 -8.036 -6.076 1.00 0.00 N ATOM 1631 CA ARG A 107 7.269 -7.945 -6.296 1.00 0.00 C ATOM 1632 C ARG A 107 7.716 -6.481 -6.269 1.00 0.00 C ATOM 1633 O ARG A 107 8.801 -6.170 -5.779 1.00 0.00 O ATOM 1634 CB ARG A 107 7.662 -8.566 -7.637 1.00 0.00 C ATOM 1635 CG ARG A 107 9.143 -8.948 -7.651 1.00 0.00 C ATOM 1636 CD ARG A 107 9.998 -7.807 -8.208 1.00 0.00 C ATOM 1637 NE ARG A 107 11.009 -8.343 -9.145 1.00 0.00 N ATOM 1638 CZ ARG A 107 11.868 -7.584 -9.839 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.843 -6.250 -9.705 1.00 0.00 N ATOM 1640 NH2 ARG A 107 12.752 -8.158 -10.668 1.00 0.00 N ATOM 0 H ARG A 107 5.352 -8.697 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 107 7.763 -8.496 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.053 -9.450 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.457 -7.861 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.469 -9.192 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.286 -9.843 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.364 -7.083 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 107 10.491 -7.279 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 107 11.055 -9.354 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.170 -5.813 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.497 -5.672 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.771 -9.173 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.406 -7.580 -11.196 1.00 0.00 H new ATOM 1654 N ALA A 108 6.858 -5.623 -6.802 1.00 0.00 N ATOM 1655 CA ALA A 108 7.153 -4.201 -6.846 1.00 0.00 C ATOM 1656 C ALA A 108 7.663 -3.748 -5.476 1.00 0.00 C ATOM 1657 O ALA A 108 8.501 -2.852 -5.387 1.00 0.00 O ATOM 1658 CB ALA A 108 5.903 -3.435 -7.285 1.00 0.00 C ATOM 0 H ALA A 108 5.959 -5.885 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 108 7.936 -3.993 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.123 -2.368 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.598 -3.774 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.097 -3.617 -6.575 1.00 0.00 H new ATOM 1664 N TRP A 109 7.136 -4.387 -4.443 1.00 0.00 N ATOM 1665 CA TRP A 109 7.527 -4.061 -3.082 1.00 0.00 C ATOM 1666 C TRP A 109 8.588 -5.071 -2.641 1.00 0.00 C ATOM 1667 O TRP A 109 8.539 -5.580 -1.522 1.00 0.00 O ATOM 1668 CB TRP A 109 6.311 -4.029 -2.154 1.00 0.00 C ATOM 1669 CG TRP A 109 5.364 -2.855 -2.411 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.532 -1.569 -2.077 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.084 -2.913 -3.077 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.460 -0.797 -2.475 1.00 0.00 N ATOM 1673 CE2 TRP A 109 3.552 -1.641 -3.103 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.399 -4.006 -3.638 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.311 -1.340 -3.679 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.161 -3.688 -4.209 1.00 0.00 C ATOM 1677 CH2 TRP A 109 1.610 -2.413 -4.244 1.00 0.00 C ATOM 0 H TRP A 109 6.441 -5.129 -4.521 1.00 0.00 H new ATOM 0 HA TRP A 109 7.956 -3.060 -3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 109 5.757 -4.961 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.656 -3.985 -1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.399 -1.184 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.354 0.208 -2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.796 -5.010 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 1.916 -0.335 -3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 1.593 -4.492 -4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.647 -2.250 -4.704 1.00 0.00 H new ATOM 1688 N VAL A 110 9.524 -5.330 -3.541 1.00 0.00 N ATOM 1689 CA VAL A 110 10.596 -6.269 -3.260 1.00 0.00 C ATOM 1690 C VAL A 110 11.080 -6.067 -1.822 1.00 0.00 C ATOM 1691 O VAL A 110 11.573 -7.001 -1.193 1.00 0.00 O ATOM 1692 CB VAL A 110 11.713 -6.115 -4.294 1.00 0.00 C ATOM 1693 CG1 VAL A 110 12.404 -4.757 -4.157 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.724 -7.259 -4.183 1.00 0.00 C ATOM 0 H VAL A 110 9.562 -4.905 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 110 10.236 -7.295 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 110 11.261 -6.162 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.194 -4.674 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 110 11.675 -3.961 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.836 -4.668 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.508 -7.126 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.167 -7.258 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.218 -8.209 -4.354 1.00 0.00 H new ATOM 1704 N ALA A 111 10.922 -4.841 -1.346 1.00 0.00 N ATOM 1705 CA ALA A 111 11.336 -4.505 0.006 1.00 0.00 C ATOM 1706 C ALA A 111 10.867 -5.598 0.967 1.00 0.00 C ATOM 1707 O ALA A 111 11.657 -6.125 1.748 1.00 0.00 O ATOM 1708 CB ALA A 111 10.789 -3.126 0.380 1.00 0.00 C ATOM 0 H ALA A 111 10.513 -4.068 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 111 12.423 -4.454 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.100 -2.874 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.177 -2.380 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.700 -3.140 0.327 1.00 0.00 H new ATOM 1714 N TRP A 112 9.581 -5.909 0.876 1.00 0.00 N ATOM 1715 CA TRP A 112 8.997 -6.931 1.728 1.00 0.00 C ATOM 1716 C TRP A 112 9.741 -8.242 1.472 1.00 0.00 C ATOM 1717 O TRP A 112 9.927 -9.044 2.386 1.00 0.00 O ATOM 1718 CB TRP A 112 7.489 -7.043 1.494 1.00 0.00 C ATOM 1719 CG TRP A 112 7.015 -8.458 1.156 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.962 -9.045 -0.048 1.00 0.00 C ATOM 1721 CD2 TRP A 112 6.527 -9.446 2.087 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.478 -10.333 0.039 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.204 -10.586 1.379 1.00 0.00 C ATOM 1724 CE3 TRP A 112 6.363 -9.380 3.481 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 5.698 -11.744 1.979 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 5.855 -10.546 4.066 1.00 0.00 C ATOM 1727 CH2 TRP A 112 5.526 -11.702 3.368 1.00 0.00 C ATOM 0 H TRP A 112 8.928 -5.471 0.226 1.00 0.00 H new ATOM 0 HA TRP A 112 9.110 -6.667 2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.967 -6.700 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.207 -6.373 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 112 7.261 -8.569 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.345 -10.981 -0.737 1.00 0.00 H new ATOM 0 HE3 TRP A 112 6.609 -8.499 4.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 5.453 -12.623 1.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 5.708 -10.547 5.136 1.00 0.00 H new ATOM 0 HH2 TRP A 112 5.140 -12.563 3.894 1.00 0.00 H new ATOM 1738 N ARG A 113 10.145 -8.421 0.222 1.00 0.00 N ATOM 1739 CA ARG A 113 10.866 -9.622 -0.166 1.00 0.00 C ATOM 1740 C ARG A 113 12.315 -9.554 0.320 1.00 0.00 C ATOM 1741 O ARG A 113 13.034 -10.550 0.282 1.00 0.00 O ATOM 1742 CB ARG A 113 10.853 -9.805 -1.686 1.00 0.00 C ATOM 1743 CG ARG A 113 10.985 -11.282 -2.061 1.00 0.00 C ATOM 1744 CD ARG A 113 11.367 -11.441 -3.533 1.00 0.00 C ATOM 1745 NE ARG A 113 10.670 -12.610 -4.115 1.00 0.00 N ATOM 1746 CZ ARG A 113 10.992 -13.883 -3.851 1.00 0.00 C ATOM 1747 NH1 ARG A 113 12.002 -14.161 -3.015 1.00 0.00 N ATOM 1748 NH2 ARG A 113 10.303 -14.881 -4.424 1.00 0.00 N ATOM 0 H ARG A 113 9.987 -7.755 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 113 10.365 -10.473 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.927 -9.403 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.671 -9.238 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.740 -11.754 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.043 -11.795 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.104 -10.539 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.446 -11.568 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 113 9.897 -12.435 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.527 -13.403 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.246 -15.131 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.534 -14.670 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.548 -15.851 -4.223 1.00 0.00 H new ATOM 1762 N ALA A 114 12.700 -8.368 0.767 1.00 0.00 N ATOM 1763 CA ALA A 114 14.050 -8.156 1.261 1.00 0.00 C ATOM 1764 C ALA A 114 13.986 -7.593 2.682 1.00 0.00 C ATOM 1765 O ALA A 114 14.869 -6.843 3.097 1.00 0.00 O ATOM 1766 CB ALA A 114 14.806 -7.233 0.302 1.00 0.00 C ATOM 0 H ALA A 114 12.100 -7.543 0.797 1.00 0.00 H new ATOM 0 HA ALA A 114 14.595 -9.099 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.819 -7.074 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.849 -7.691 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.289 -6.275 0.236 1.00 0.00 H new ATOM 1772 N HIS A 115 12.934 -7.977 3.389 1.00 0.00 N ATOM 1773 CA HIS A 115 12.744 -7.521 4.756 1.00 0.00 C ATOM 1774 C HIS A 115 11.948 -8.566 5.540 1.00 0.00 C ATOM 1775 O HIS A 115 12.334 -8.945 6.644 1.00 0.00 O ATOM 1776 CB HIS A 115 12.092 -6.136 4.780 1.00 0.00 C ATOM 1777 CG HIS A 115 12.704 -5.186 5.780 1.00 0.00 C ATOM 1778 ND1 HIS A 115 14.051 -4.868 5.785 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.141 -4.487 6.808 1.00 0.00 C ATOM 1780 CE1 HIS A 115 14.278 -4.017 6.774 1.00 0.00 C ATOM 1781 NE2 HIS A 115 13.092 -3.782 7.408 1.00 0.00 N ATOM 0 H HIS A 115 12.204 -8.599 3.041 1.00 0.00 H new ATOM 0 HA HIS A 115 13.712 -7.412 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.163 -5.695 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.031 -6.249 5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 115 11.098 -4.505 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.233 -3.585 7.033 1.00 0.00 H new ATOM 0 HE2 HIS A 115 12.959 -3.166 8.210 1.00 0.00 H new ATOM 1790 N CYS A 116 10.851 -9.000 4.938 1.00 0.00 N ATOM 1791 CA CYS A 116 9.997 -9.994 5.567 1.00 0.00 C ATOM 1792 C CYS A 116 10.486 -11.381 5.147 1.00 0.00 C ATOM 1793 O CYS A 116 10.821 -12.208 5.995 1.00 0.00 O ATOM 1794 CB CYS A 116 8.524 -9.778 5.215 1.00 0.00 C ATOM 1795 SG CYS A 116 7.494 -9.135 6.584 1.00 0.00 S ATOM 0 H CYS A 116 10.534 -8.682 4.022 1.00 0.00 H new ATOM 0 HA CYS A 116 10.061 -9.899 6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 116 8.463 -9.084 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 116 8.103 -10.725 4.876 1.00 0.00 H new ATOM 1800 N GLN A 117 10.511 -11.596 3.840 1.00 0.00 N ATOM 1801 CA GLN A 117 10.954 -12.868 3.298 1.00 0.00 C ATOM 1802 C GLN A 117 12.123 -13.417 4.119 1.00 0.00 C ATOM 1803 O GLN A 117 12.294 -14.631 4.229 1.00 0.00 O ATOM 1804 CB GLN A 117 11.336 -12.734 1.823 1.00 0.00 C ATOM 1805 CG GLN A 117 11.455 -14.108 1.159 1.00 0.00 C ATOM 1806 CD GLN A 117 12.915 -14.559 1.091 1.00 0.00 C ATOM 1807 OE1 GLN A 117 13.762 -14.128 1.857 1.00 0.00 O ATOM 1808 NE2 GLN A 117 13.162 -15.448 0.133 1.00 0.00 N ATOM 0 H GLN A 117 10.231 -10.909 3.140 1.00 0.00 H new ATOM 0 HA GLN A 117 10.126 -13.575 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.586 -12.138 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 117 12.283 -12.201 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.871 -14.838 1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 117 11.036 -14.068 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 117 12.407 -15.767 -0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 117 14.107 -15.811 0.005 1.00 0.00 H new ATOM 1817 N ASN A 118 12.898 -12.498 4.674 1.00 0.00 N ATOM 1818 CA ASN A 118 14.046 -12.874 5.481 1.00 0.00 C ATOM 1819 C ASN A 118 13.627 -13.948 6.487 1.00 0.00 C ATOM 1820 O ASN A 118 14.216 -15.027 6.530 1.00 0.00 O ATOM 1821 CB ASN A 118 14.585 -11.675 6.266 1.00 0.00 C ATOM 1822 CG ASN A 118 16.087 -11.813 6.515 1.00 0.00 C ATOM 1823 OD1 ASN A 118 16.534 -12.183 7.588 1.00 0.00 O ATOM 1824 ND2 ASN A 118 16.841 -11.495 5.466 1.00 0.00 N ATOM 0 H ASN A 118 12.754 -11.493 4.581 1.00 0.00 H new ATOM 0 HA ASN A 118 14.822 -13.244 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 118 14.387 -10.756 5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 118 14.061 -11.594 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 118 17.857 -11.554 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 118 16.403 -11.192 4.596 1.00 0.00 H new ATOM 1831 N ARG A 119 12.613 -13.615 7.271 1.00 0.00 N ATOM 1832 CA ARG A 119 12.108 -14.538 8.274 1.00 0.00 C ATOM 1833 C ARG A 119 10.590 -14.684 8.144 1.00 0.00 C ATOM 1834 O ARG A 119 10.001 -14.233 7.163 1.00 0.00 O ATOM 1835 CB ARG A 119 12.448 -14.058 9.686 1.00 0.00 C ATOM 1836 CG ARG A 119 12.697 -15.242 10.623 1.00 0.00 C ATOM 1837 CD ARG A 119 13.967 -15.031 11.448 1.00 0.00 C ATOM 1838 NE ARG A 119 13.621 -14.885 12.880 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.508 -14.587 13.841 1.00 0.00 C ATOM 1840 NH1 ARG A 119 15.798 -14.401 13.528 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.104 -14.475 15.114 1.00 0.00 N ATOM 0 H ARG A 119 12.127 -12.719 7.233 1.00 0.00 H new ATOM 0 HA ARG A 119 12.586 -15.503 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 119 13.333 -13.422 9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.631 -13.449 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.843 -15.369 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.786 -16.159 10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.643 -15.875 11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 119 14.493 -14.142 11.100 1.00 0.00 H new ATOM 0 HE ARG A 119 12.647 -15.019 13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 119 16.105 -14.486 12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 119 16.473 -14.174 14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 119 13.122 -14.616 15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 119 14.778 -14.248 15.845 1.00 0.00 H new ATOM 1855 N ASP A 120 10.001 -15.317 9.148 1.00 0.00 N ATOM 1856 CA ASP A 120 8.563 -15.529 9.159 1.00 0.00 C ATOM 1857 C ASP A 120 7.887 -14.363 9.883 1.00 0.00 C ATOM 1858 O ASP A 120 7.894 -14.302 11.112 1.00 0.00 O ATOM 1859 CB ASP A 120 8.202 -16.819 9.898 1.00 0.00 C ATOM 1860 CG ASP A 120 6.756 -17.284 9.716 1.00 0.00 C ATOM 1861 OD1 ASP A 120 6.453 -17.771 8.606 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.987 -17.142 10.691 1.00 0.00 O ATOM 0 H ASP A 120 10.493 -15.690 9.960 1.00 0.00 H new ATOM 0 HA ASP A 120 8.224 -15.600 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.868 -17.613 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.391 -16.676 10.962 1.00 0.00 H new ATOM 1867 N LEU A 121 7.317 -13.466 9.091 1.00 0.00 N ATOM 1868 CA LEU A 121 6.637 -12.306 9.641 1.00 0.00 C ATOM 1869 C LEU A 121 5.136 -12.592 9.723 1.00 0.00 C ATOM 1870 O LEU A 121 4.330 -11.669 9.828 1.00 0.00 O ATOM 1871 CB LEU A 121 6.981 -11.052 8.836 1.00 0.00 C ATOM 1872 CG LEU A 121 6.696 -9.714 9.523 1.00 0.00 C ATOM 1873 CD1 LEU A 121 7.959 -8.853 9.587 1.00 0.00 C ATOM 1874 CD2 LEU A 121 5.537 -8.984 8.843 1.00 0.00 C ATOM 0 H LEU A 121 7.312 -13.520 8.072 1.00 0.00 H new ATOM 0 HA LEU A 121 6.980 -12.109 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.040 -11.088 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.425 -11.082 7.899 1.00 0.00 H new ATOM 0 HG LEU A 121 6.390 -9.914 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.730 -7.908 10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.730 -9.379 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.318 -8.658 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.356 -8.037 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.789 -8.794 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.639 -9.600 8.893 1.00 0.00 H new ATOM 1886 N SER A 122 4.807 -13.874 9.674 1.00 0.00 N ATOM 1887 CA SER A 122 3.418 -14.293 9.742 1.00 0.00 C ATOM 1888 C SER A 122 2.875 -14.081 11.157 1.00 0.00 C ATOM 1889 O SER A 122 1.664 -14.002 11.356 1.00 0.00 O ATOM 1890 CB SER A 122 3.262 -15.758 9.329 1.00 0.00 C ATOM 1891 OG SER A 122 2.721 -15.887 8.017 1.00 0.00 O ATOM 0 H SER A 122 5.479 -14.637 9.588 1.00 0.00 H new ATOM 0 HA SER A 122 2.844 -13.684 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.233 -16.252 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.613 -16.268 10.041 1.00 0.00 H new ATOM 0 HG SER A 122 2.638 -16.837 7.789 1.00 0.00 H new ATOM 1897 N GLN A 123 3.798 -13.995 12.104 1.00 0.00 N ATOM 1898 CA GLN A 123 3.429 -13.794 13.494 1.00 0.00 C ATOM 1899 C GLN A 123 3.030 -12.335 13.731 1.00 0.00 C ATOM 1900 O GLN A 123 2.513 -11.995 14.795 1.00 0.00 O ATOM 1901 CB GLN A 123 4.565 -14.210 14.430 1.00 0.00 C ATOM 1902 CG GLN A 123 4.103 -14.210 15.888 1.00 0.00 C ATOM 1903 CD GLN A 123 4.849 -13.150 16.700 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.960 -13.353 17.162 1.00 0.00 O ATOM 1905 NE2 GLN A 123 4.178 -12.012 16.850 1.00 0.00 N ATOM 0 H GLN A 123 4.802 -14.061 11.935 1.00 0.00 H new ATOM 0 HA GLN A 123 2.570 -14.427 13.716 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.920 -15.204 14.157 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.407 -13.528 14.312 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.031 -14.020 15.933 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.271 -15.194 16.326 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.251 -11.908 16.437 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.590 -11.243 17.378 1.00 0.00 H new ATOM 1914 N TYR A 124 3.285 -11.513 12.723 1.00 0.00 N ATOM 1915 CA TYR A 124 2.958 -10.100 12.809 1.00 0.00 C ATOM 1916 C TYR A 124 1.452 -9.876 12.667 1.00 0.00 C ATOM 1917 O TYR A 124 0.924 -8.869 13.137 1.00 0.00 O ATOM 1918 CB TYR A 124 3.675 -9.431 11.635 1.00 0.00 C ATOM 1919 CG TYR A 124 4.156 -8.008 11.930 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.841 -7.740 13.098 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.906 -6.994 11.027 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.294 -6.401 13.374 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.358 -5.656 11.305 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.031 -5.425 12.464 1.00 0.00 C ATOM 1925 OH TYR A 124 5.458 -4.161 12.726 1.00 0.00 O ATOM 0 H TYR A 124 3.714 -11.799 11.843 1.00 0.00 H new ATOM 0 HA TYR A 124 3.263 -9.693 13.773 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.532 -10.042 11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.002 -9.406 10.778 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.037 -8.533 13.804 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.372 -7.205 10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.831 -6.177 14.284 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.167 -4.853 10.608 1.00 0.00 H new ATOM 0 HH TYR A 124 6.272 -4.197 13.270 1.00 0.00 H new ATOM 1935 N ILE A 125 0.803 -10.830 12.016 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.633 -10.749 11.807 1.00 0.00 C ATOM 1937 C ILE A 125 -1.336 -11.749 12.727 1.00 0.00 C ATOM 1938 O ILE A 125 -2.475 -11.527 13.137 1.00 0.00 O ATOM 1939 CB ILE A 125 -0.969 -10.935 10.325 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.301 -12.192 9.765 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.608 -9.685 9.520 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.228 -12.918 8.789 1.00 0.00 C ATOM 0 H ILE A 125 1.245 -11.663 11.626 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.002 -9.758 12.073 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.046 -11.076 10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.625 -11.921 9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.033 -12.861 10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.857 -9.844 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.170 -8.832 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.460 -9.488 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.728 -13.808 8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.143 -13.209 9.305 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.474 -12.255 7.960 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.629 -12.829 13.025 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.170 -13.864 13.888 1.00 0.00 C ATOM 1956 C ARG A 126 -1.148 -13.403 15.347 1.00 0.00 C ATOM 1957 O ARG A 126 -1.568 -14.137 16.240 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.373 -15.164 13.759 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.111 -16.328 14.421 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.675 -17.288 13.371 1.00 0.00 C ATOM 1961 NE ARG A 126 -2.427 -18.378 14.033 1.00 0.00 N ATOM 1962 CZ ARG A 126 -2.921 -19.446 13.392 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -2.746 -19.575 12.071 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -3.591 -20.386 14.075 1.00 0.00 N ATOM 0 H ARG A 126 0.315 -13.009 12.683 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.198 -14.050 13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.204 -15.388 12.706 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.607 -15.041 14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.431 -16.865 15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.921 -15.944 15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.329 -16.748 12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.864 -17.705 12.775 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.578 -18.312 15.040 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.236 -18.860 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.122 -20.388 11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.724 -20.288 15.081 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.967 -21.199 13.588 1.00 0.00 H new ATOM 1978 N ASN A 127 -0.654 -12.190 15.544 1.00 0.00 N ATOM 1979 CA ASN A 127 -0.570 -11.622 16.879 1.00 0.00 C ATOM 1980 C ASN A 127 -1.907 -10.969 17.235 1.00 0.00 C ATOM 1981 O ASN A 127 -2.220 -10.791 18.411 1.00 0.00 O ATOM 1982 CB ASN A 127 0.515 -10.547 16.953 1.00 0.00 C ATOM 1983 CG ASN A 127 0.340 -9.513 15.840 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -0.722 -9.360 15.259 1.00 0.00 O ATOM 1985 ND2 ASN A 127 1.440 -8.812 15.574 1.00 0.00 N ATOM 0 H ASN A 127 -0.307 -11.584 14.801 1.00 0.00 H new ATOM 0 HA ASN A 127 -0.328 -12.427 17.573 1.00 0.00 H new ATOM 0 HB2 ASN A 127 0.476 -10.052 17.923 1.00 0.00 H new ATOM 0 HB3 ASN A 127 1.498 -11.011 16.872 1.00 0.00 H new ATOM 0 HD21 ASN A 127 1.426 -8.097 14.847 1.00 0.00 H new ATOM 0 HD22 ASN A 127 2.297 -8.990 16.098 1.00 0.00 H new ATOM 1992 N CYS A 128 -2.660 -10.633 16.198 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.956 -10.005 16.386 1.00 0.00 C ATOM 1994 C CYS A 128 -4.943 -11.072 16.863 1.00 0.00 C ATOM 1995 O CYS A 128 -5.931 -10.758 17.524 1.00 0.00 O ATOM 1996 CB CYS A 128 -4.439 -9.309 15.112 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.208 -7.670 15.376 1.00 0.00 S ATOM 0 H CYS A 128 -2.397 -10.784 15.224 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.876 -9.222 17.140 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -3.592 -9.192 14.435 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.160 -9.956 14.612 1.00 0.00 H new ATOM 2002 N GLY A 129 -4.641 -12.312 16.508 1.00 0.00 N ATOM 2003 CA GLY A 129 -5.488 -13.429 16.891 1.00 0.00 C ATOM 2004 C GLY A 129 -6.352 -13.890 15.715 1.00 0.00 C ATOM 2005 O GLY A 129 -7.460 -14.387 15.911 1.00 0.00 O ATOM 0 H GLY A 129 -3.821 -12.568 15.959 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.870 -14.256 17.239 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.127 -13.137 17.724 1.00 0.00 H new ATOM 2009 N VAL A 130 -5.812 -13.708 14.519 1.00 0.00 N ATOM 2010 CA VAL A 130 -6.519 -14.100 13.311 1.00 0.00 C ATOM 2011 C VAL A 130 -6.166 -15.547 12.964 1.00 0.00 C ATOM 2012 O VAL A 130 -7.038 -16.414 12.938 1.00 0.00 O ATOM 2013 CB VAL A 130 -6.204 -13.120 12.179 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -6.434 -13.768 10.812 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.022 -11.835 12.322 1.00 0.00 C ATOM 0 H VAL A 130 -4.893 -13.294 14.360 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.597 -14.058 13.469 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.149 -12.855 12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.203 -13.050 10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -5.788 -14.640 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.476 -14.077 10.726 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.779 -11.156 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.085 -12.075 12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.786 -11.357 13.273 1.00 0.00 H new