USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= 0.793 K(o=1.5,f=-1.6!) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.737 K(o=1.5,f=-4.9!) USER MOD Set 2.1: A 28 THR OG1 : rot -127:sc= 0.0618 USER MOD Set 2.2: A 40 SER OG : rot -140:sc= -0.0426 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -122:sc=-0.00464 (180deg=-0.0241) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.986 F(o=-2.2,f=-0.99) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.27) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.67 K(o=-1.7,f=-7.3!) USER MOD Single : A 51 CYS SG : rot 104:sc= -0.543 USER MOD Single : A 55 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-4.5) USER MOD Single : A 67 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.155 (180deg=-0.563) USER MOD Single : A 73 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0904 (180deg=-0.476) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.17) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.202 -0.650 2.766 1.00 0.00 N ATOM 2 CA PRO A 9 -16.160 -0.571 1.280 1.00 0.00 C ATOM 3 C PRO A 9 -14.736 -0.725 0.742 1.00 0.00 C ATOM 4 O PRO A 9 -13.898 0.161 0.918 1.00 0.00 O ATOM 5 CB PRO A 9 -16.736 0.784 0.875 1.00 0.00 C ATOM 6 CG PRO A 9 -17.212 1.383 2.158 1.00 0.00 C ATOM 7 CD PRO A 9 -16.421 0.719 3.260 1.00 0.00 C ATOM 0 HA PRO A 9 -16.745 -1.387 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.981 1.411 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.553 0.672 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.056 2.462 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.281 1.215 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.477 1.234 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.970 0.720 4.202 1.00 0.00 H new ATOM 17 N ILE A 10 -14.472 -1.856 0.090 1.00 0.00 N ATOM 18 CA ILE A 10 -13.151 -2.130 -0.473 1.00 0.00 C ATOM 19 C ILE A 10 -12.952 -1.395 -1.797 1.00 0.00 C ATOM 20 O ILE A 10 -13.869 -1.314 -2.617 1.00 0.00 O ATOM 21 CB ILE A 10 -12.930 -3.645 -0.695 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.090 -4.406 0.624 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.553 -3.906 -1.293 1.00 0.00 C ATOM 24 CD1 ILE A 10 -14.415 -5.126 0.754 1.00 0.00 C ATOM 0 H ILE A 10 -15.156 -2.598 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.420 -1.770 0.251 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.683 -4.002 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.282 -5.132 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.984 -3.706 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.418 -4.977 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.470 -3.394 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.785 -3.534 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.456 -5.642 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.229 -4.403 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.516 -5.852 -0.053 1.00 0.00 H new ATOM 36 N ARG A 11 -11.745 -0.867 -1.998 1.00 0.00 N ATOM 37 CA ARG A 11 -11.414 -0.142 -3.222 1.00 0.00 C ATOM 38 C ARG A 11 -10.222 -0.781 -3.931 1.00 0.00 C ATOM 39 O ARG A 11 -9.203 -1.083 -3.304 1.00 0.00 O ATOM 40 CB ARG A 11 -11.111 1.328 -2.914 1.00 0.00 C ATOM 41 CG ARG A 11 -11.762 2.298 -3.890 1.00 0.00 C ATOM 42 CD ARG A 11 -10.886 3.519 -4.138 1.00 0.00 C ATOM 43 NE ARG A 11 -11.646 4.768 -4.062 1.00 0.00 N ATOM 44 CZ ARG A 11 -11.230 5.931 -4.572 1.00 0.00 C ATOM 45 NH1 ARG A 11 -10.062 6.015 -5.205 1.00 0.00 N ATOM 46 NH2 ARG A 11 -11.988 7.016 -4.449 1.00 0.00 N ATOM 0 H ARG A 11 -10.979 -0.929 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.279 -0.193 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.451 1.557 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.032 1.479 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.954 1.790 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.728 2.616 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.080 3.541 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.421 3.437 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.550 4.749 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.475 5.187 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.754 6.908 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.885 6.960 -3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.673 7.905 -4.837 1.00 0.00 H new ATOM 60 N LYS A 12 -10.360 -0.980 -5.242 1.00 0.00 N ATOM 61 CA LYS A 12 -9.302 -1.580 -6.050 1.00 0.00 C ATOM 62 C LYS A 12 -8.616 -0.521 -6.909 1.00 0.00 C ATOM 63 O LYS A 12 -9.253 0.109 -7.757 1.00 0.00 O ATOM 64 CB LYS A 12 -9.875 -2.684 -6.947 1.00 0.00 C ATOM 65 CG LYS A 12 -10.146 -3.991 -6.217 1.00 0.00 C ATOM 66 CD LYS A 12 -11.417 -3.917 -5.380 1.00 0.00 C ATOM 67 CE LYS A 12 -12.516 -4.800 -5.952 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.194 -4.165 -7.118 1.00 0.00 N ATOM 0 H LYS A 12 -11.199 -0.733 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.566 -2.017 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.803 -2.330 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.179 -2.873 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.234 -4.801 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.300 -4.230 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.198 -4.224 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.765 -2.885 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.091 -5.756 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.252 -5.011 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.935 -4.800 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.623 -3.265 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.498 -3.987 -7.870 1.00 0.00 H new ATOM 82 N VAL A 13 -7.317 -0.326 -6.684 1.00 0.00 N ATOM 83 CA VAL A 13 -6.545 0.661 -7.437 1.00 0.00 C ATOM 84 C VAL A 13 -5.270 0.047 -8.018 1.00 0.00 C ATOM 85 O VAL A 13 -4.622 -0.783 -7.378 1.00 0.00 O ATOM 86 CB VAL A 13 -6.169 1.876 -6.561 1.00 0.00 C ATOM 87 CG1 VAL A 13 -7.405 2.700 -6.228 1.00 0.00 C ATOM 88 CG2 VAL A 13 -5.458 1.430 -5.289 1.00 0.00 C ATOM 0 H VAL A 13 -6.778 -0.839 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.183 0.998 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.482 2.504 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.119 3.551 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.863 3.058 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.119 2.081 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.204 2.304 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.114 0.775 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.547 0.892 -5.551 1.00 0.00 H new ATOM 98 N LEU A 14 -4.916 0.464 -9.235 1.00 0.00 N ATOM 99 CA LEU A 14 -3.720 -0.041 -9.904 1.00 0.00 C ATOM 100 C LEU A 14 -2.601 1.001 -9.894 1.00 0.00 C ATOM 101 O LEU A 14 -2.775 2.117 -10.389 1.00 0.00 O ATOM 102 CB LEU A 14 -4.047 -0.448 -11.344 1.00 0.00 C ATOM 103 CG LEU A 14 -4.183 -1.955 -11.577 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.988 -2.230 -12.838 1.00 0.00 C ATOM 105 CD2 LEU A 14 -2.811 -2.608 -11.663 1.00 0.00 C ATOM 0 H LEU A 14 -5.442 1.150 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.374 -0.918 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.978 0.035 -11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.266 -0.063 -12.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.716 -2.388 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.074 -3.306 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.983 -1.797 -12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.484 -1.784 -13.696 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.928 -3.679 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.252 -2.171 -12.490 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.270 -2.442 -10.731 1.00 0.00 H new ATOM 117 N LEU A 15 -1.454 0.624 -9.331 1.00 0.00 N ATOM 118 CA LEU A 15 -0.298 1.513 -9.251 1.00 0.00 C ATOM 119 C LEU A 15 0.819 1.043 -10.184 1.00 0.00 C ATOM 120 O LEU A 15 1.082 -0.155 -10.297 1.00 0.00 O ATOM 121 CB LEU A 15 0.218 1.580 -7.810 1.00 0.00 C ATOM 122 CG LEU A 15 0.935 2.880 -7.434 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.037 3.867 -6.804 1.00 0.00 C ATOM 124 CD2 LEU A 15 2.096 2.594 -6.492 1.00 0.00 C ATOM 0 H LEU A 15 -1.301 -0.297 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.612 2.508 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.624 1.439 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.901 0.747 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 15 1.333 3.329 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.493 4.784 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.833 4.096 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.468 3.429 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.595 3.529 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.720 2.121 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.806 1.927 -6.981 1.00 0.00 H new ATOM 136 N LEU A 16 1.473 1.996 -10.847 1.00 0.00 N ATOM 137 CA LEU A 16 2.564 1.684 -11.767 1.00 0.00 C ATOM 138 C LEU A 16 3.898 2.182 -11.214 1.00 0.00 C ATOM 139 O LEU A 16 4.077 3.382 -10.994 1.00 0.00 O ATOM 140 CB LEU A 16 2.300 2.308 -13.140 1.00 0.00 C ATOM 141 CG LEU A 16 1.242 1.594 -13.989 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.006 2.345 -15.292 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.657 0.155 -14.267 1.00 0.00 C ATOM 0 H LEU A 16 1.265 2.991 -10.763 1.00 0.00 H new ATOM 0 HA LEU A 16 2.617 0.601 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.990 3.343 -12.997 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.236 2.330 -13.698 1.00 0.00 H new ATOM 0 HG LEU A 16 0.307 1.577 -13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.252 1.823 -15.881 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.660 3.355 -15.072 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.937 2.395 -15.857 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.893 -0.334 -14.871 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.605 0.147 -14.805 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.771 -0.379 -13.324 1.00 0.00 H new ATOM 155 N LYS A 17 4.830 1.255 -10.990 1.00 0.00 N ATOM 156 CA LYS A 17 6.148 1.600 -10.462 1.00 0.00 C ATOM 157 C LYS A 17 7.220 1.474 -11.542 1.00 0.00 C ATOM 158 O LYS A 17 7.301 0.458 -12.235 1.00 0.00 O ATOM 159 CB LYS A 17 6.493 0.707 -9.268 1.00 0.00 C ATOM 160 CG LYS A 17 7.334 1.401 -8.206 1.00 0.00 C ATOM 161 CD LYS A 17 8.787 0.947 -8.249 1.00 0.00 C ATOM 162 CE LYS A 17 9.270 0.474 -6.884 1.00 0.00 C ATOM 163 NZ LYS A 17 9.244 1.565 -5.866 1.00 0.00 N ATOM 0 H LYS A 17 4.695 0.259 -11.166 1.00 0.00 H new ATOM 0 HA LYS A 17 6.119 2.638 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.569 0.352 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.029 -0.172 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.286 2.480 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.918 1.194 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.895 0.139 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.415 1.769 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.644 -0.351 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.285 0.088 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.198 1.697 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.927 2.449 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.588 1.310 -5.100 1.00 0.00 H new ATOM 177 N GLU A 18 8.039 2.517 -11.676 1.00 0.00 N ATOM 178 CA GLU A 18 9.111 2.541 -12.669 1.00 0.00 C ATOM 179 C GLU A 18 10.478 2.668 -11.995 1.00 0.00 C ATOM 180 O GLU A 18 10.567 3.037 -10.825 1.00 0.00 O ATOM 181 CB GLU A 18 8.902 3.708 -13.640 1.00 0.00 C ATOM 182 CG GLU A 18 8.675 3.277 -15.082 1.00 0.00 C ATOM 183 CD GLU A 18 9.883 2.580 -15.679 1.00 0.00 C ATOM 184 OE1 GLU A 18 9.984 1.343 -15.539 1.00 0.00 O ATOM 185 OE2 GLU A 18 10.731 3.273 -16.277 1.00 0.00 O ATOM 0 H GLU A 18 7.979 3.360 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 18 9.084 1.601 -13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.046 4.296 -13.308 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.773 4.362 -13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.815 2.608 -15.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.430 4.152 -15.685 1.00 0.00 H new ATOM 192 N ASP A 19 11.541 2.367 -12.745 1.00 0.00 N ATOM 193 CA ASP A 19 12.907 2.456 -12.219 1.00 0.00 C ATOM 194 C ASP A 19 13.203 3.857 -11.685 1.00 0.00 C ATOM 195 O ASP A 19 13.875 4.012 -10.665 1.00 0.00 O ATOM 196 CB ASP A 19 13.927 2.097 -13.306 1.00 0.00 C ATOM 197 CG ASP A 19 14.549 0.730 -13.093 1.00 0.00 C ATOM 198 OD1 ASP A 19 15.154 0.511 -12.022 1.00 0.00 O ATOM 199 OD2 ASP A 19 14.436 -0.121 -13.999 1.00 0.00 O ATOM 0 H ASP A 19 11.483 2.060 -13.716 1.00 0.00 H new ATOM 0 HA ASP A 19 12.990 1.745 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.438 2.122 -14.280 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.714 2.851 -13.324 1.00 0.00 H new ATOM 204 N HIS A 20 12.699 4.871 -12.386 1.00 0.00 N ATOM 205 CA HIS A 20 12.907 6.262 -11.992 1.00 0.00 C ATOM 206 C HIS A 20 11.852 6.732 -10.982 1.00 0.00 C ATOM 207 O HIS A 20 12.091 7.678 -10.230 1.00 0.00 O ATOM 208 CB HIS A 20 12.901 7.171 -13.228 1.00 0.00 C ATOM 209 CG HIS A 20 11.570 7.264 -13.914 1.00 0.00 C ATOM 210 ND1 HIS A 20 10.908 6.374 -14.694 1.00 0.00 N flip ATOM 211 CD2 HIS A 20 10.760 8.378 -13.837 1.00 0.00 C flip ATOM 212 CE1 HIS A 20 9.725 6.962 -15.068 1.00 0.00 C flip ATOM 213 NE2 HIS A 20 9.659 8.169 -14.538 1.00 0.00 N flip ATOM 0 H HIS A 20 12.142 4.754 -13.232 1.00 0.00 H new ATOM 0 HA HIS A 20 13.880 6.324 -11.505 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.215 8.172 -12.931 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.640 6.803 -13.940 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.990 9.280 -13.289 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.970 6.510 -15.695 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.889 8.829 -14.650 1.00 0.00 H new ATOM 222 N GLU A 21 10.687 6.075 -10.968 1.00 0.00 N ATOM 223 CA GLU A 21 9.610 6.442 -10.049 1.00 0.00 C ATOM 224 C GLU A 21 9.687 5.633 -8.755 1.00 0.00 C ATOM 225 O GLU A 21 10.335 4.586 -8.700 1.00 0.00 O ATOM 226 CB GLU A 21 8.246 6.239 -10.716 1.00 0.00 C ATOM 227 CG GLU A 21 7.959 7.236 -11.829 1.00 0.00 C ATOM 228 CD GLU A 21 6.942 8.291 -11.432 1.00 0.00 C ATOM 229 OE1 GLU A 21 5.782 7.924 -11.145 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.306 9.485 -11.410 1.00 0.00 O ATOM 0 H GLU A 21 10.469 5.290 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 21 9.730 7.496 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.196 5.229 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.465 6.317 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.888 7.726 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.595 6.699 -12.705 1.00 0.00 H new ATOM 237 N GLY A 22 9.023 6.129 -7.711 1.00 0.00 N ATOM 238 CA GLY A 22 9.031 5.445 -6.429 1.00 0.00 C ATOM 239 C GLY A 22 7.635 5.188 -5.887 1.00 0.00 C ATOM 240 O GLY A 22 6.660 5.178 -6.642 1.00 0.00 O ATOM 0 H GLY A 22 8.480 6.992 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.555 4.495 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.591 6.041 -5.708 1.00 0.00 H new ATOM 244 N LEU A 23 7.543 4.978 -4.573 1.00 0.00 N ATOM 245 CA LEU A 23 6.260 4.716 -3.919 1.00 0.00 C ATOM 246 C LEU A 23 5.405 5.983 -3.863 1.00 0.00 C ATOM 247 O LEU A 23 4.365 6.067 -4.519 1.00 0.00 O ATOM 248 CB LEU A 23 6.483 4.167 -2.503 1.00 0.00 C ATOM 249 CG LEU A 23 6.092 2.701 -2.306 1.00 0.00 C ATOM 250 CD1 LEU A 23 7.004 2.036 -1.284 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.636 2.596 -1.875 1.00 0.00 C ATOM 0 H LEU A 23 8.343 4.984 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 23 5.728 3.969 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.536 4.284 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.914 4.776 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 23 6.209 2.180 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.710 0.994 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.036 2.082 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.920 2.555 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.372 1.547 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.495 3.131 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.997 3.034 -2.642 1.00 0.00 H new ATOM 263 N GLY A 24 5.853 6.964 -3.077 1.00 0.00 N ATOM 264 CA GLY A 24 5.121 8.215 -2.949 1.00 0.00 C ATOM 265 C GLY A 24 4.122 8.225 -1.799 1.00 0.00 C ATOM 266 O GLY A 24 3.379 9.192 -1.638 1.00 0.00 O ATOM 0 H GLY A 24 6.710 6.913 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.832 9.029 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.591 8.413 -3.881 1.00 0.00 H new ATOM 270 N ILE A 25 4.092 7.154 -0.999 1.00 0.00 N ATOM 271 CA ILE A 25 3.166 7.068 0.130 1.00 0.00 C ATOM 272 C ILE A 25 3.856 6.512 1.373 1.00 0.00 C ATOM 273 O ILE A 25 4.711 5.628 1.276 1.00 0.00 O ATOM 274 CB ILE A 25 1.940 6.187 -0.197 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.383 4.826 -0.742 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.025 6.889 -1.191 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.545 3.671 -0.241 1.00 0.00 C ATOM 0 H ILE A 25 4.696 6.340 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 25 2.828 8.085 0.327 1.00 0.00 H new ATOM 0 HB ILE A 25 1.383 6.022 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.341 4.849 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.424 4.655 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.167 6.252 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.679 7.831 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.573 7.087 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.917 2.740 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.607 3.621 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.507 3.818 -0.539 1.00 0.00 H new ATOM 289 N SER A 26 3.473 7.031 2.539 1.00 0.00 N ATOM 290 CA SER A 26 4.044 6.587 3.807 1.00 0.00 C ATOM 291 C SER A 26 3.055 5.703 4.565 1.00 0.00 C ATOM 292 O SER A 26 1.861 6.010 4.633 1.00 0.00 O ATOM 293 CB SER A 26 4.434 7.794 4.664 1.00 0.00 C ATOM 294 OG SER A 26 5.315 8.656 3.961 1.00 0.00 O ATOM 0 H SER A 26 2.767 7.762 2.630 1.00 0.00 H new ATOM 0 HA SER A 26 4.938 6.001 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.538 8.343 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.910 7.453 5.583 1.00 0.00 H new ATOM 0 HG SER A 26 5.548 9.420 4.529 1.00 0.00 H new ATOM 300 N ILE A 27 3.560 4.606 5.129 1.00 0.00 N ATOM 301 CA ILE A 27 2.726 3.667 5.880 1.00 0.00 C ATOM 302 C ILE A 27 3.226 3.498 7.315 1.00 0.00 C ATOM 303 O ILE A 27 4.403 3.726 7.604 1.00 0.00 O ATOM 304 CB ILE A 27 2.678 2.283 5.195 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.091 1.709 5.036 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.988 2.382 3.840 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.114 0.288 4.513 1.00 0.00 C ATOM 0 H ILE A 27 4.545 4.345 5.080 1.00 0.00 H new ATOM 0 HA ILE A 27 1.722 4.090 5.901 1.00 0.00 H new ATOM 0 HB ILE A 27 2.102 1.608 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.658 2.346 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.597 1.740 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.963 1.398 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.969 2.745 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.537 3.074 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.146 -0.051 4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.575 -0.362 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.637 0.253 3.533 1.00 0.00 H new ATOM 319 N THR A 28 2.321 3.100 8.211 1.00 0.00 N ATOM 320 CA THR A 28 2.665 2.902 9.620 1.00 0.00 C ATOM 321 C THR A 28 1.989 1.651 10.189 1.00 0.00 C ATOM 322 O THR A 28 1.170 1.016 9.519 1.00 0.00 O ATOM 323 CB THR A 28 2.266 4.137 10.437 1.00 0.00 C ATOM 324 OG1 THR A 28 0.855 4.238 10.543 1.00 0.00 O ATOM 325 CG2 THR A 28 2.774 5.436 9.845 1.00 0.00 C ATOM 0 H THR A 28 1.345 2.909 7.986 1.00 0.00 H new ATOM 0 HA THR A 28 3.744 2.759 9.687 1.00 0.00 H new ATOM 0 HB THR A 28 2.726 3.995 11.415 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.568 5.130 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.457 6.270 10.471 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.863 5.412 9.796 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.368 5.562 8.841 1.00 0.00 H new ATOM 333 N GLY A 29 2.337 1.308 11.432 1.00 0.00 N ATOM 334 CA GLY A 29 1.760 0.140 12.080 1.00 0.00 C ATOM 335 C GLY A 29 2.688 -1.062 12.054 1.00 0.00 C ATOM 336 O GLY A 29 3.900 -0.913 11.879 1.00 0.00 O ATOM 0 H GLY A 29 3.010 1.821 12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.519 0.385 13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.823 -0.119 11.587 1.00 0.00 H new ATOM 340 N GLY A 30 2.120 -2.258 12.227 1.00 0.00 N ATOM 341 CA GLY A 30 2.922 -3.470 12.217 1.00 0.00 C ATOM 342 C GLY A 30 2.142 -4.697 12.654 1.00 0.00 C ATOM 343 O GLY A 30 1.561 -4.717 13.741 1.00 0.00 O ATOM 0 H GLY A 30 1.121 -2.406 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.313 -3.633 11.213 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.780 -3.337 12.876 1.00 0.00 H new ATOM 347 N LYS A 31 2.139 -5.727 11.805 1.00 0.00 N ATOM 348 CA LYS A 31 1.433 -6.974 12.103 1.00 0.00 C ATOM 349 C LYS A 31 1.987 -7.638 13.365 1.00 0.00 C ATOM 350 O LYS A 31 1.231 -8.204 14.156 1.00 0.00 O ATOM 351 CB LYS A 31 1.536 -7.943 10.922 1.00 0.00 C ATOM 352 CG LYS A 31 0.329 -8.854 10.772 1.00 0.00 C ATOM 353 CD LYS A 31 0.506 -10.151 11.549 1.00 0.00 C ATOM 354 CE LYS A 31 -0.829 -10.709 12.017 1.00 0.00 C ATOM 355 NZ LYS A 31 -0.662 -11.789 13.032 1.00 0.00 N ATOM 0 H LYS A 31 2.618 -5.722 10.905 1.00 0.00 H new ATOM 0 HA LYS A 31 0.385 -6.727 12.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.664 -7.370 10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.430 -8.555 11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.564 -8.337 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.171 -9.080 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.009 -10.887 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.150 -9.975 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.429 -9.904 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.378 -11.099 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.597 -12.140 13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.112 -12.570 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.161 -11.411 13.861 1.00 0.00 H new ATOM 369 N GLU A 32 3.309 -7.563 13.546 1.00 0.00 N ATOM 370 CA GLU A 32 3.962 -8.154 14.716 1.00 0.00 C ATOM 371 C GLU A 32 3.511 -7.467 16.008 1.00 0.00 C ATOM 372 O GLU A 32 3.444 -8.099 17.063 1.00 0.00 O ATOM 373 CB GLU A 32 5.487 -8.062 14.583 1.00 0.00 C ATOM 374 CG GLU A 32 6.003 -6.644 14.361 1.00 0.00 C ATOM 375 CD GLU A 32 7.504 -6.590 14.143 1.00 0.00 C ATOM 376 OE1 GLU A 32 8.001 -7.306 13.246 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.181 -5.829 14.865 1.00 0.00 O ATOM 0 H GLU A 32 3.946 -7.100 12.898 1.00 0.00 H new ATOM 0 HA GLU A 32 3.670 -9.203 14.764 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.946 -8.468 15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.808 -8.689 13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.499 -6.210 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.744 -6.029 15.223 1.00 0.00 H new ATOM 384 N HIS A 33 3.195 -6.174 15.913 1.00 0.00 N ATOM 385 CA HIS A 33 2.742 -5.406 17.070 1.00 0.00 C ATOM 386 C HIS A 33 1.273 -5.695 17.382 1.00 0.00 C ATOM 387 O HIS A 33 0.851 -5.608 18.535 1.00 0.00 O ATOM 388 CB HIS A 33 2.930 -3.906 16.823 1.00 0.00 C ATOM 389 CG HIS A 33 4.316 -3.417 17.112 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.979 -3.684 18.292 1.00 0.00 N ATOM 391 CD2 HIS A 33 5.164 -2.667 16.368 1.00 0.00 C ATOM 392 CE1 HIS A 33 6.172 -3.118 18.263 1.00 0.00 C ATOM 393 NE2 HIS A 33 6.309 -2.496 17.107 1.00 0.00 N ATOM 0 H HIS A 33 3.245 -5.639 15.046 1.00 0.00 H new ATOM 0 HA HIS A 33 3.345 -5.708 17.926 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.685 -3.684 15.784 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.223 -3.353 17.442 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.975 -2.277 15.379 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.910 -3.157 19.051 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.133 -1.973 16.810 1.00 0.00 H new ATOM 402 N GLY A 34 0.502 -6.034 16.348 1.00 0.00 N ATOM 403 CA GLY A 34 -0.910 -6.328 16.530 1.00 0.00 C ATOM 404 C GLY A 34 -1.818 -5.261 15.940 1.00 0.00 C ATOM 405 O GLY A 34 -2.924 -5.041 16.438 1.00 0.00 O ATOM 0 H GLY A 34 0.832 -6.110 15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.138 -7.288 16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.121 -6.429 17.595 1.00 0.00 H new ATOM 409 N VAL A 35 -1.359 -4.601 14.875 1.00 0.00 N ATOM 410 CA VAL A 35 -2.145 -3.558 14.219 1.00 0.00 C ATOM 411 C VAL A 35 -1.932 -3.578 12.706 1.00 0.00 C ATOM 412 O VAL A 35 -0.794 -3.636 12.233 1.00 0.00 O ATOM 413 CB VAL A 35 -1.799 -2.151 14.753 1.00 0.00 C ATOM 414 CG1 VAL A 35 -2.312 -1.973 16.173 1.00 0.00 C ATOM 415 CG2 VAL A 35 -0.300 -1.895 14.684 1.00 0.00 C ATOM 0 H VAL A 35 -0.448 -4.771 14.450 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.190 -3.772 14.446 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.295 -1.418 14.117 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.057 -0.975 16.529 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.395 -2.098 16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.852 -2.718 16.822 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.083 -0.897 15.066 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.224 -2.636 15.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.034 -1.968 13.649 1.00 0.00 H new ATOM 425 N PRO A 36 -3.028 -3.524 11.922 1.00 0.00 N ATOM 426 CA PRO A 36 -2.953 -3.529 10.454 1.00 0.00 C ATOM 427 C PRO A 36 -2.180 -2.326 9.912 1.00 0.00 C ATOM 428 O PRO A 36 -2.060 -1.303 10.588 1.00 0.00 O ATOM 429 CB PRO A 36 -4.421 -3.468 10.008 1.00 0.00 C ATOM 430 CG PRO A 36 -5.214 -3.880 11.202 1.00 0.00 C ATOM 431 CD PRO A 36 -4.420 -3.448 12.400 1.00 0.00 C ATOM 0 HA PRO A 36 -2.423 -4.405 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.692 -2.463 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.604 -4.135 9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.198 -3.411 11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.375 -4.958 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.683 -2.439 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.590 -4.104 13.254 1.00 0.00 H new ATOM 439 N ILE A 37 -1.654 -2.455 8.694 1.00 0.00 N ATOM 440 CA ILE A 37 -0.895 -1.374 8.073 1.00 0.00 C ATOM 441 C ILE A 37 -1.833 -0.376 7.400 1.00 0.00 C ATOM 442 O ILE A 37 -2.699 -0.760 6.610 1.00 0.00 O ATOM 443 CB ILE A 37 0.118 -1.905 7.034 1.00 0.00 C ATOM 444 CG1 ILE A 37 0.951 -3.049 7.626 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.025 -0.780 6.551 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.602 -2.712 8.953 1.00 0.00 C ATOM 0 H ILE A 37 -1.740 -3.295 8.121 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.341 -0.876 8.869 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.438 -2.292 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.311 -3.921 7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.726 -3.328 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.732 -1.171 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.421 0.001 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.571 -0.364 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.173 -3.571 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.270 -1.860 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.832 -2.463 9.683 1.00 0.00 H new ATOM 458 N LEU A 38 -1.664 0.904 7.729 1.00 0.00 N ATOM 459 CA LEU A 38 -2.504 1.957 7.167 1.00 0.00 C ATOM 460 C LEU A 38 -1.661 3.107 6.611 1.00 0.00 C ATOM 461 O LEU A 38 -0.568 3.385 7.111 1.00 0.00 O ATOM 462 CB LEU A 38 -3.469 2.485 8.234 1.00 0.00 C ATOM 463 CG LEU A 38 -4.500 1.471 8.745 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.962 0.726 9.958 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.812 2.165 9.086 1.00 0.00 C ATOM 0 H LEU A 38 -0.953 1.235 8.381 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.074 1.527 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.886 2.844 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.001 3.345 7.826 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.689 0.748 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.708 0.011 10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.050 0.195 9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.742 1.438 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.530 1.429 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.638 2.912 9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.208 2.652 8.195 1.00 0.00 H new ATOM 477 N ILE A 39 -2.184 3.777 5.581 1.00 0.00 N ATOM 478 CA ILE A 39 -1.493 4.906 4.959 1.00 0.00 C ATOM 479 C ILE A 39 -1.602 6.151 5.836 1.00 0.00 C ATOM 480 O ILE A 39 -2.698 6.680 6.040 1.00 0.00 O ATOM 481 CB ILE A 39 -2.063 5.236 3.559 1.00 0.00 C ATOM 482 CG1 ILE A 39 -2.158 3.974 2.694 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.205 6.291 2.870 1.00 0.00 C ATOM 484 CD1 ILE A 39 -0.821 3.323 2.413 1.00 0.00 C ATOM 0 H ILE A 39 -3.086 3.555 5.160 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.449 4.612 4.850 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.069 5.635 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.806 3.252 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.633 4.229 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.620 6.512 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.194 7.200 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.187 5.917 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.970 2.437 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.177 4.027 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.352 3.035 3.354 1.00 0.00 H new ATOM 496 N SER A 40 -0.464 6.616 6.349 1.00 0.00 N ATOM 497 CA SER A 40 -0.439 7.801 7.202 1.00 0.00 C ATOM 498 C SER A 40 -0.394 9.083 6.373 1.00 0.00 C ATOM 499 O SER A 40 -1.132 10.030 6.651 1.00 0.00 O ATOM 500 CB SER A 40 0.759 7.754 8.154 1.00 0.00 C ATOM 501 OG SER A 40 0.387 7.218 9.413 1.00 0.00 O ATOM 0 H SER A 40 0.449 6.191 6.189 1.00 0.00 H new ATOM 0 HA SER A 40 -1.359 7.804 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.552 7.148 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.162 8.758 8.287 1.00 0.00 H new ATOM 0 HG SER A 40 0.835 7.718 10.127 1.00 0.00 H new ATOM 507 N GLU A 41 0.473 9.114 5.359 1.00 0.00 N ATOM 508 CA GLU A 41 0.604 10.292 4.502 1.00 0.00 C ATOM 509 C GLU A 41 0.906 9.896 3.058 1.00 0.00 C ATOM 510 O GLU A 41 1.346 8.776 2.788 1.00 0.00 O ATOM 511 CB GLU A 41 1.706 11.216 5.027 1.00 0.00 C ATOM 512 CG GLU A 41 1.210 12.269 6.008 1.00 0.00 C ATOM 513 CD GLU A 41 2.198 13.406 6.200 1.00 0.00 C ATOM 514 OE1 GLU A 41 3.380 13.125 6.494 1.00 0.00 O ATOM 515 OE2 GLU A 41 1.790 14.578 6.059 1.00 0.00 O ATOM 0 H GLU A 41 1.091 8.341 5.113 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.348 10.822 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.472 10.612 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.182 11.715 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.263 12.673 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.014 11.798 6.971 1.00 0.00 H new ATOM 522 N ILE A 42 0.671 10.828 2.135 1.00 0.00 N ATOM 523 CA ILE A 42 0.917 10.591 0.716 1.00 0.00 C ATOM 524 C ILE A 42 1.699 11.753 0.102 1.00 0.00 C ATOM 525 O ILE A 42 1.214 12.886 0.059 1.00 0.00 O ATOM 526 CB ILE A 42 -0.405 10.396 -0.062 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.286 9.346 0.625 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.122 9.993 -1.503 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.321 9.941 1.554 1.00 0.00 C ATOM 0 H ILE A 42 0.309 11.758 2.348 1.00 0.00 H new ATOM 0 HA ILE A 42 1.505 9.677 0.638 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.942 11.345 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.792 8.753 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.651 8.664 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.064 9.860 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.464 10.772 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.437 9.057 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.908 9.141 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.822 10.511 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.980 10.601 0.990 1.00 0.00 H new ATOM 541 N HIS A 43 2.913 11.463 -0.371 1.00 0.00 N ATOM 542 CA HIS A 43 3.768 12.478 -0.984 1.00 0.00 C ATOM 543 C HIS A 43 3.160 12.994 -2.288 1.00 0.00 C ATOM 544 O HIS A 43 2.708 12.210 -3.124 1.00 0.00 O ATOM 545 CB HIS A 43 5.165 11.909 -1.251 1.00 0.00 C ATOM 546 CG HIS A 43 6.030 11.838 -0.030 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.850 12.871 0.372 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.199 10.850 0.882 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.487 12.522 1.476 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.109 11.300 1.806 1.00 0.00 N ATOM 0 H HIS A 43 3.326 10.531 -0.340 1.00 0.00 H new ATOM 0 HA HIS A 43 3.849 13.312 -0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.066 10.909 -1.674 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.661 12.525 -2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.709 9.888 0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.196 13.132 2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.440 10.776 2.616 1.00 0.00 H new ATOM 559 N PRO A 44 3.137 14.330 -2.474 1.00 0.00 N ATOM 560 CA PRO A 44 2.577 14.956 -3.679 1.00 0.00 C ATOM 561 C PRO A 44 3.477 14.793 -4.902 1.00 0.00 C ATOM 562 O PRO A 44 4.696 14.661 -4.775 1.00 0.00 O ATOM 563 CB PRO A 44 2.467 16.430 -3.290 1.00 0.00 C ATOM 564 CG PRO A 44 3.541 16.632 -2.278 1.00 0.00 C ATOM 565 CD PRO A 44 3.652 15.336 -1.522 1.00 0.00 C ATOM 0 HA PRO A 44 1.630 14.501 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.609 17.080 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.485 16.659 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.486 16.885 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.294 17.455 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.683 15.126 -1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.065 15.356 -0.604 1.00 0.00 H new ATOM 573 N GLY A 45 2.864 14.808 -6.086 1.00 0.00 N ATOM 574 CA GLY A 45 3.617 14.663 -7.323 1.00 0.00 C ATOM 575 C GLY A 45 4.123 13.247 -7.538 1.00 0.00 C ATOM 576 O GLY A 45 5.181 13.045 -8.137 1.00 0.00 O ATOM 0 H GLY A 45 1.858 14.918 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.986 14.951 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.464 15.349 -7.311 1.00 0.00 H new ATOM 580 N GLN A 46 3.367 12.264 -7.049 1.00 0.00 N ATOM 581 CA GLN A 46 3.739 10.861 -7.187 1.00 0.00 C ATOM 582 C GLN A 46 2.571 10.050 -7.750 1.00 0.00 C ATOM 583 O GLN A 46 1.447 10.550 -7.829 1.00 0.00 O ATOM 584 CB GLN A 46 4.174 10.300 -5.828 1.00 0.00 C ATOM 585 CG GLN A 46 5.681 10.138 -5.693 1.00 0.00 C ATOM 586 CD GLN A 46 6.303 11.175 -4.776 1.00 0.00 C ATOM 587 OE1 GLN A 46 6.642 10.883 -3.630 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.459 12.395 -5.276 1.00 0.00 N ATOM 0 H GLN A 46 2.490 12.418 -6.552 1.00 0.00 H new ATOM 0 HA GLN A 46 4.574 10.786 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.815 10.961 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.697 9.332 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.902 9.142 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.140 10.210 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.165 12.596 -6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.873 13.131 -4.704 1.00 0.00 H new ATOM 597 N PRO A 47 2.815 8.780 -8.144 1.00 0.00 N ATOM 598 CA PRO A 47 1.770 7.905 -8.694 1.00 0.00 C ATOM 599 C PRO A 47 0.551 7.791 -7.776 1.00 0.00 C ATOM 600 O PRO A 47 -0.563 7.546 -8.244 1.00 0.00 O ATOM 601 CB PRO A 47 2.457 6.537 -8.835 1.00 0.00 C ATOM 602 CG PRO A 47 3.731 6.643 -8.065 1.00 0.00 C ATOM 603 CD PRO A 47 4.116 8.094 -8.084 1.00 0.00 C ATOM 0 HA PRO A 47 1.385 8.298 -9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.827 5.740 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.651 6.302 -9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.598 6.290 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.510 6.028 -8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.679 8.374 -7.194 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.740 8.335 -8.945 1.00 0.00 H new ATOM 611 N ALA A 48 0.768 7.975 -6.470 1.00 0.00 N ATOM 612 CA ALA A 48 -0.313 7.898 -5.490 1.00 0.00 C ATOM 613 C ALA A 48 -1.426 8.895 -5.815 1.00 0.00 C ATOM 614 O ALA A 48 -2.607 8.544 -5.794 1.00 0.00 O ATOM 615 CB ALA A 48 0.226 8.146 -4.089 1.00 0.00 C ATOM 0 H ALA A 48 1.684 8.178 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.737 6.895 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.590 8.086 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.977 7.393 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.678 9.137 -4.043 1.00 0.00 H new ATOM 621 N ASP A 49 -1.039 10.134 -6.125 1.00 0.00 N ATOM 622 CA ASP A 49 -2.004 11.180 -6.465 1.00 0.00 C ATOM 623 C ASP A 49 -2.639 10.912 -7.828 1.00 0.00 C ATOM 624 O ASP A 49 -3.834 11.143 -8.018 1.00 0.00 O ATOM 625 CB ASP A 49 -1.328 12.554 -6.466 1.00 0.00 C ATOM 626 CG ASP A 49 -1.369 13.222 -5.105 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.477 13.584 -4.654 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.294 13.385 -4.493 1.00 0.00 O ATOM 0 H ASP A 49 -0.065 10.437 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.789 11.172 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.291 12.445 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.819 13.196 -7.197 1.00 0.00 H new ATOM 633 N ARG A 50 -1.832 10.424 -8.772 1.00 0.00 N ATOM 634 CA ARG A 50 -2.314 10.120 -10.118 1.00 0.00 C ATOM 635 C ARG A 50 -3.479 9.129 -10.079 1.00 0.00 C ATOM 636 O ARG A 50 -4.437 9.260 -10.841 1.00 0.00 O ATOM 637 CB ARG A 50 -1.180 9.549 -10.972 1.00 0.00 C ATOM 638 CG ARG A 50 -0.124 10.577 -11.346 1.00 0.00 C ATOM 639 CD ARG A 50 0.417 10.336 -12.747 1.00 0.00 C ATOM 640 NE ARG A 50 1.590 9.460 -12.745 1.00 0.00 N ATOM 641 CZ ARG A 50 2.031 8.801 -13.821 1.00 0.00 C ATOM 642 NH1 ARG A 50 1.401 8.914 -14.987 1.00 0.00 N ATOM 643 NH2 ARG A 50 3.109 8.028 -13.730 1.00 0.00 N ATOM 0 H ARG A 50 -0.841 10.231 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.668 11.050 -10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.704 8.732 -10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.601 9.124 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.552 11.578 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.694 10.538 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.364 9.893 -13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.680 11.291 -13.202 1.00 0.00 H new ATOM 0 HE ARG A 50 2.101 9.346 -11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.575 9.507 -15.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.744 8.408 -15.803 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.599 7.938 -12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.446 7.525 -14.551 1.00 0.00 H new ATOM 657 N CYS A 51 -3.389 8.140 -9.188 1.00 0.00 N ATOM 658 CA CYS A 51 -4.437 7.129 -9.052 1.00 0.00 C ATOM 659 C CYS A 51 -5.710 7.711 -8.430 1.00 0.00 C ATOM 660 O CYS A 51 -6.809 7.213 -8.681 1.00 0.00 O ATOM 661 CB CYS A 51 -3.939 5.958 -8.200 1.00 0.00 C ATOM 662 SG CYS A 51 -4.495 4.339 -8.778 1.00 0.00 S ATOM 0 H CYS A 51 -2.602 8.018 -8.551 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.680 6.776 -10.054 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.849 5.972 -8.184 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.275 6.101 -7.173 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.517 3.736 -9.386 1.00 0.00 H new ATOM 668 N GLY A 52 -5.559 8.758 -7.613 1.00 0.00 N ATOM 669 CA GLY A 52 -6.708 9.372 -6.966 1.00 0.00 C ATOM 670 C GLY A 52 -7.327 8.479 -5.896 1.00 0.00 C ATOM 671 O GLY A 52 -8.487 8.666 -5.522 1.00 0.00 O ATOM 0 H GLY A 52 -4.662 9.189 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.404 10.316 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.461 9.606 -7.718 1.00 0.00 H new ATOM 675 N GLY A 53 -6.551 7.504 -5.408 1.00 0.00 N ATOM 676 CA GLY A 53 -7.040 6.589 -4.387 1.00 0.00 C ATOM 677 C GLY A 53 -6.228 6.637 -3.102 1.00 0.00 C ATOM 678 O GLY A 53 -6.772 6.424 -2.017 1.00 0.00 O ATOM 0 H GLY A 53 -5.590 7.334 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.079 6.828 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.025 5.573 -4.781 1.00 0.00 H new ATOM 682 N LEU A 54 -4.927 6.915 -3.220 1.00 0.00 N ATOM 683 CA LEU A 54 -4.048 6.989 -2.056 1.00 0.00 C ATOM 684 C LEU A 54 -4.376 8.227 -1.217 1.00 0.00 C ATOM 685 O LEU A 54 -3.820 9.306 -1.430 1.00 0.00 O ATOM 686 CB LEU A 54 -2.579 7.004 -2.501 1.00 0.00 C ATOM 687 CG LEU A 54 -1.924 5.625 -2.642 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.787 4.957 -1.282 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.719 4.740 -3.594 1.00 0.00 C ATOM 0 H LEU A 54 -4.462 7.092 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.210 6.107 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.512 7.520 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.005 7.589 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.927 5.765 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.320 3.979 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.169 5.577 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.774 4.835 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.234 3.767 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.731 4.609 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.762 5.209 -4.577 1.00 0.00 H new ATOM 701 N HIS A 55 -5.303 8.054 -0.274 1.00 0.00 N ATOM 702 CA HIS A 55 -5.747 9.140 0.601 1.00 0.00 C ATOM 703 C HIS A 55 -5.290 8.915 2.043 1.00 0.00 C ATOM 704 O HIS A 55 -5.023 7.782 2.449 1.00 0.00 O ATOM 705 CB HIS A 55 -7.277 9.258 0.552 1.00 0.00 C ATOM 706 CG HIS A 55 -7.990 7.962 0.820 1.00 0.00 C ATOM 707 ND1 HIS A 55 -7.829 7.238 1.986 1.00 0.00 N ATOM 708 CD2 HIS A 55 -8.854 7.249 0.056 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.559 6.141 1.926 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.190 6.122 0.767 1.00 0.00 N ATOM 0 H HIS A 55 -5.765 7.162 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.297 10.066 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.599 9.998 1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.573 9.630 -0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.211 7.517 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.629 5.386 2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.825 5.389 0.450 1.00 0.00 H new ATOM 719 N VAL A 56 -5.216 10.000 2.816 1.00 0.00 N ATOM 720 CA VAL A 56 -4.807 9.915 4.219 1.00 0.00 C ATOM 721 C VAL A 56 -5.812 9.080 5.015 1.00 0.00 C ATOM 722 O VAL A 56 -7.022 9.177 4.793 1.00 0.00 O ATOM 723 CB VAL A 56 -4.673 11.315 4.866 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.047 11.220 6.251 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.854 12.241 3.978 1.00 0.00 C ATOM 0 H VAL A 56 -5.433 10.944 2.496 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.829 9.435 4.242 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.675 11.731 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.965 12.218 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.673 10.598 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.055 10.776 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.772 13.220 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.858 11.822 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.345 12.346 3.011 1.00 0.00 H new ATOM 735 N GLY A 57 -5.304 8.250 5.928 1.00 0.00 N ATOM 736 CA GLY A 57 -6.170 7.396 6.730 1.00 0.00 C ATOM 737 C GLY A 57 -6.741 6.248 5.918 1.00 0.00 C ATOM 738 O GLY A 57 -7.958 6.050 5.875 1.00 0.00 O ATOM 0 H GLY A 57 -4.308 8.154 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.607 6.999 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.986 7.990 7.142 1.00 0.00 H new ATOM 742 N ASP A 58 -5.855 5.504 5.259 1.00 0.00 N ATOM 743 CA ASP A 58 -6.254 4.377 4.424 1.00 0.00 C ATOM 744 C ASP A 58 -5.791 3.049 5.028 1.00 0.00 C ATOM 745 O ASP A 58 -4.676 2.956 5.534 1.00 0.00 O ATOM 746 CB ASP A 58 -5.673 4.565 3.022 1.00 0.00 C ATOM 747 CG ASP A 58 -6.121 3.497 2.046 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.328 3.161 2.036 1.00 0.00 O ATOM 749 OD2 ASP A 58 -5.264 3.002 1.288 1.00 0.00 O ATOM 0 H ASP A 58 -4.848 5.665 5.289 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.342 4.345 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.967 5.543 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.585 4.560 3.082 1.00 0.00 H new ATOM 754 N ALA A 59 -6.648 2.024 4.973 1.00 0.00 N ATOM 755 CA ALA A 59 -6.307 0.707 5.523 1.00 0.00 C ATOM 756 C ALA A 59 -6.046 -0.317 4.418 1.00 0.00 C ATOM 757 O ALA A 59 -6.877 -0.506 3.531 1.00 0.00 O ATOM 758 CB ALA A 59 -7.412 0.212 6.447 1.00 0.00 C ATOM 0 H ALA A 59 -7.577 2.080 4.556 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.387 0.821 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.142 -0.766 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.541 0.916 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.344 0.131 5.888 1.00 0.00 H new ATOM 764 N ILE A 60 -4.890 -0.982 4.485 1.00 0.00 N ATOM 765 CA ILE A 60 -4.519 -1.996 3.492 1.00 0.00 C ATOM 766 C ILE A 60 -4.966 -3.394 3.920 1.00 0.00 C ATOM 767 O ILE A 60 -4.993 -3.712 5.110 1.00 0.00 O ATOM 768 CB ILE A 60 -2.993 -2.035 3.245 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.437 -0.629 3.013 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.670 -2.938 2.061 1.00 0.00 C ATOM 771 CD1 ILE A 60 -1.219 -0.323 3.857 1.00 0.00 C ATOM 0 H ILE A 60 -4.194 -0.837 5.216 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.029 -1.709 2.572 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.516 -2.443 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.179 -0.517 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.215 0.103 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.592 -2.955 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.022 -3.949 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.164 -2.557 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.874 0.689 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.478 -0.404 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.426 -1.033 3.622 1.00 0.00 H new ATOM 783 N LEU A 61 -5.296 -4.229 2.934 1.00 0.00 N ATOM 784 CA LEU A 61 -5.722 -5.603 3.193 1.00 0.00 C ATOM 785 C LEU A 61 -4.999 -6.581 2.263 1.00 0.00 C ATOM 786 O LEU A 61 -4.395 -7.551 2.724 1.00 0.00 O ATOM 787 CB LEU A 61 -7.239 -5.737 3.029 1.00 0.00 C ATOM 788 CG LEU A 61 -8.074 -5.078 4.134 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.555 -5.146 3.795 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.803 -5.739 5.480 1.00 0.00 C ATOM 0 H LEU A 61 -5.276 -3.976 1.946 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.460 -5.850 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.525 -5.303 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.492 -6.796 2.987 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.784 -4.030 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.132 -4.674 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.737 -4.625 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.858 -6.188 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.405 -5.257 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.063 -6.796 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.747 -5.638 5.729 1.00 0.00 H new ATOM 802 N ALA A 62 -5.061 -6.318 0.953 1.00 0.00 N ATOM 803 CA ALA A 62 -4.408 -7.176 -0.036 1.00 0.00 C ATOM 804 C ALA A 62 -3.696 -6.350 -1.107 1.00 0.00 C ATOM 805 O ALA A 62 -4.140 -5.257 -1.461 1.00 0.00 O ATOM 806 CB ALA A 62 -5.424 -8.112 -0.678 1.00 0.00 C ATOM 0 H ALA A 62 -5.556 -5.519 0.556 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.656 -7.771 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.924 -8.744 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.879 -8.738 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.198 -7.525 -1.173 1.00 0.00 H new ATOM 812 N VAL A 63 -2.589 -6.886 -1.621 1.00 0.00 N ATOM 813 CA VAL A 63 -1.811 -6.213 -2.657 1.00 0.00 C ATOM 814 C VAL A 63 -1.399 -7.204 -3.741 1.00 0.00 C ATOM 815 O VAL A 63 -0.641 -8.142 -3.480 1.00 0.00 O ATOM 816 CB VAL A 63 -0.546 -5.542 -2.077 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.142 -4.686 -3.133 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.891 -4.710 -0.849 1.00 0.00 C ATOM 0 H VAL A 63 -2.211 -7.789 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.447 -5.439 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 63 0.146 -6.327 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.030 -4.223 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.431 -5.312 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.543 -3.910 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.015 -4.247 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.606 -3.934 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.329 -5.353 -0.085 1.00 0.00 H new ATOM 828 N ASN A 64 -1.906 -6.990 -4.957 1.00 0.00 N ATOM 829 CA ASN A 64 -1.604 -7.861 -6.092 1.00 0.00 C ATOM 830 C ASN A 64 -2.006 -9.310 -5.801 1.00 0.00 C ATOM 831 O ASN A 64 -1.353 -10.251 -6.259 1.00 0.00 O ATOM 832 CB ASN A 64 -0.113 -7.781 -6.445 1.00 0.00 C ATOM 833 CG ASN A 64 0.124 -7.651 -7.940 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.777 -7.879 -8.747 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.342 -7.280 -8.319 1.00 0.00 N ATOM 0 H ASN A 64 -2.531 -6.216 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.187 -7.515 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.333 -6.928 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.393 -8.673 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.558 -7.175 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.061 -7.100 -7.619 1.00 0.00 H new ATOM 842 N GLY A 65 -3.084 -9.484 -5.030 1.00 0.00 N ATOM 843 CA GLY A 65 -3.549 -10.818 -4.687 1.00 0.00 C ATOM 844 C GLY A 65 -2.923 -11.363 -3.408 1.00 0.00 C ATOM 845 O GLY A 65 -3.426 -12.332 -2.835 1.00 0.00 O ATOM 0 H GLY A 65 -3.640 -8.724 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.633 -10.800 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.326 -11.496 -5.511 1.00 0.00 H new ATOM 849 N VAL A 66 -1.828 -10.744 -2.955 1.00 0.00 N ATOM 850 CA VAL A 66 -1.142 -11.179 -1.741 1.00 0.00 C ATOM 851 C VAL A 66 -1.725 -10.488 -0.507 1.00 0.00 C ATOM 852 O VAL A 66 -2.000 -9.288 -0.530 1.00 0.00 O ATOM 853 CB VAL A 66 0.374 -10.898 -1.823 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.111 -11.547 -0.659 1.00 0.00 C ATOM 855 CG2 VAL A 66 0.934 -11.385 -3.154 1.00 0.00 C ATOM 0 H VAL A 66 -1.400 -9.940 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.293 -12.255 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 66 0.526 -9.821 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.177 -11.335 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.731 -11.146 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.953 -12.625 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.004 -11.179 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.767 -12.458 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.433 -10.866 -3.971 1.00 0.00 H new ATOM 865 N ASN A 67 -1.914 -11.257 0.566 1.00 0.00 N ATOM 866 CA ASN A 67 -2.471 -10.725 1.810 1.00 0.00 C ATOM 867 C ASN A 67 -1.429 -9.919 2.585 1.00 0.00 C ATOM 868 O ASN A 67 -0.281 -10.345 2.725 1.00 0.00 O ATOM 869 CB ASN A 67 -3.004 -11.865 2.690 1.00 0.00 C ATOM 870 CG ASN A 67 -3.996 -11.380 3.734 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.616 -10.328 3.578 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.153 -12.145 4.809 1.00 0.00 N ATOM 0 H ASN A 67 -1.689 -12.251 0.598 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.293 -10.060 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.483 -12.613 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.168 -12.356 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.806 -11.867 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.621 -13.010 4.902 1.00 0.00 H new ATOM 879 N LEU A 68 -1.841 -8.755 3.092 1.00 0.00 N ATOM 880 CA LEU A 68 -0.946 -7.890 3.862 1.00 0.00 C ATOM 881 C LEU A 68 -1.118 -8.107 5.368 1.00 0.00 C ATOM 882 O LEU A 68 -0.186 -7.881 6.140 1.00 0.00 O ATOM 883 CB LEU A 68 -1.184 -6.417 3.515 1.00 0.00 C ATOM 884 CG LEU A 68 0.033 -5.504 3.715 1.00 0.00 C ATOM 885 CD1 LEU A 68 0.120 -4.468 2.603 1.00 0.00 C ATOM 886 CD2 LEU A 68 -0.023 -4.824 5.077 1.00 0.00 C ATOM 0 H LEU A 68 -2.787 -8.390 2.983 1.00 0.00 H new ATOM 0 HA LEU A 68 0.076 -8.156 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.504 -6.350 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.006 -6.043 4.126 1.00 0.00 H new ATOM 0 HG LEU A 68 0.930 -6.122 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.990 -3.832 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.214 -4.973 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.782 -3.856 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.849 -4.181 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.930 -4.223 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.028 -5.581 5.862 1.00 0.00 H new ATOM 898 N ARG A 69 -2.310 -8.548 5.784 1.00 0.00 N ATOM 899 CA ARG A 69 -2.582 -8.795 7.202 1.00 0.00 C ATOM 900 C ARG A 69 -1.820 -10.017 7.718 1.00 0.00 C ATOM 901 O ARG A 69 -1.659 -10.184 8.927 1.00 0.00 O ATOM 902 CB ARG A 69 -4.081 -8.988 7.445 1.00 0.00 C ATOM 903 CG ARG A 69 -4.612 -8.172 8.614 1.00 0.00 C ATOM 904 CD ARG A 69 -5.446 -9.021 9.564 1.00 0.00 C ATOM 905 NE ARG A 69 -4.699 -9.419 10.760 1.00 0.00 N ATOM 906 CZ ARG A 69 -4.308 -8.571 11.719 1.00 0.00 C ATOM 907 NH1 ARG A 69 -4.546 -7.267 11.605 1.00 0.00 N ATOM 908 NH2 ARG A 69 -3.672 -9.030 12.792 1.00 0.00 N ATOM 0 H ARG A 69 -3.096 -8.740 5.163 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.239 -7.917 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.626 -8.714 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.279 -10.044 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.777 -7.731 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.217 -7.348 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.333 -8.462 9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.792 -9.913 9.041 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.462 -10.405 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.030 -6.907 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.245 -6.627 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.482 -10.028 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.374 -8.384 13.523 1.00 0.00 H new ATOM 922 N ASP A 70 -1.355 -10.869 6.802 1.00 0.00 N ATOM 923 CA ASP A 70 -0.613 -12.069 7.178 1.00 0.00 C ATOM 924 C ASP A 70 0.905 -11.853 7.081 1.00 0.00 C ATOM 925 O ASP A 70 1.677 -12.811 7.151 1.00 0.00 O ATOM 926 CB ASP A 70 -1.035 -13.246 6.294 1.00 0.00 C ATOM 927 CG ASP A 70 -0.696 -14.591 6.910 1.00 0.00 C ATOM 928 OD1 ASP A 70 -0.981 -14.788 8.111 1.00 0.00 O ATOM 929 OD2 ASP A 70 -0.144 -15.449 6.190 1.00 0.00 O ATOM 0 H ASP A 70 -1.480 -10.749 5.797 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.850 -12.293 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.109 -13.193 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.545 -13.161 5.324 1.00 0.00 H new ATOM 934 N THR A 71 1.333 -10.594 6.921 1.00 0.00 N ATOM 935 CA THR A 71 2.758 -10.274 6.818 1.00 0.00 C ATOM 936 C THR A 71 3.123 -9.085 7.714 1.00 0.00 C ATOM 937 O THR A 71 2.293 -8.213 7.972 1.00 0.00 O ATOM 938 CB THR A 71 3.133 -9.983 5.357 1.00 0.00 C ATOM 939 OG1 THR A 71 4.463 -9.503 5.263 1.00 0.00 O ATOM 940 CG2 THR A 71 2.230 -8.967 4.688 1.00 0.00 C ATOM 0 H THR A 71 0.714 -9.785 6.861 1.00 0.00 H new ATOM 0 HA THR A 71 3.327 -11.138 7.161 1.00 0.00 H new ATOM 0 HB THR A 71 3.019 -10.937 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.681 -9.326 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.556 -8.813 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.204 -9.334 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.280 -8.023 5.230 1.00 0.00 H new ATOM 948 N LYS A 72 4.373 -9.066 8.185 1.00 0.00 N ATOM 949 CA LYS A 72 4.863 -7.994 9.058 1.00 0.00 C ATOM 950 C LYS A 72 5.140 -6.714 8.267 1.00 0.00 C ATOM 951 O LYS A 72 5.287 -6.751 7.046 1.00 0.00 O ATOM 952 CB LYS A 72 6.139 -8.443 9.781 1.00 0.00 C ATOM 953 CG LYS A 72 5.883 -9.162 11.099 1.00 0.00 C ATOM 954 CD LYS A 72 5.156 -10.483 10.892 1.00 0.00 C ATOM 955 CE LYS A 72 5.087 -11.297 12.179 1.00 0.00 C ATOM 956 NZ LYS A 72 6.438 -11.554 12.758 1.00 0.00 N ATOM 0 H LYS A 72 5.067 -9.784 7.976 1.00 0.00 H new ATOM 0 HA LYS A 72 4.086 -7.780 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.704 -9.103 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.764 -7.570 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.832 -9.345 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.292 -8.521 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.146 -10.290 10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.666 -11.062 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.476 -10.767 12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.593 -12.248 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.388 -12.364 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.109 -11.766 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.759 -10.712 13.277 1.00 0.00 H new ATOM 970 N HIS A 73 5.212 -5.582 8.976 1.00 0.00 N ATOM 971 CA HIS A 73 5.474 -4.285 8.343 1.00 0.00 C ATOM 972 C HIS A 73 6.746 -4.333 7.495 1.00 0.00 C ATOM 973 O HIS A 73 6.728 -3.963 6.321 1.00 0.00 O ATOM 974 CB HIS A 73 5.596 -3.183 9.404 1.00 0.00 C ATOM 975 CG HIS A 73 5.201 -1.818 8.919 1.00 0.00 C ATOM 976 ND1 HIS A 73 4.276 -1.605 7.916 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.607 -0.588 9.316 1.00 0.00 C ATOM 978 CE1 HIS A 73 4.134 -0.308 7.718 1.00 0.00 C ATOM 979 NE2 HIS A 73 4.929 0.332 8.554 1.00 0.00 N ATOM 0 H HIS A 73 5.093 -5.538 9.988 1.00 0.00 H new ATOM 0 HA HIS A 73 4.632 -4.058 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.974 -3.447 10.259 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.626 -3.147 9.758 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.330 -0.371 10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.478 0.152 6.994 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.025 1.345 8.623 1.00 0.00 H new ATOM 988 N LYS A 74 7.846 -4.795 8.095 1.00 0.00 N ATOM 989 CA LYS A 74 9.122 -4.897 7.385 1.00 0.00 C ATOM 990 C LYS A 74 9.014 -5.859 6.203 1.00 0.00 C ATOM 991 O LYS A 74 9.522 -5.577 5.117 1.00 0.00 O ATOM 992 CB LYS A 74 10.234 -5.359 8.332 1.00 0.00 C ATOM 993 CG LYS A 74 10.995 -4.214 8.983 1.00 0.00 C ATOM 994 CD LYS A 74 11.089 -4.389 10.492 1.00 0.00 C ATOM 995 CE LYS A 74 10.945 -3.061 11.220 1.00 0.00 C ATOM 996 NZ LYS A 74 9.592 -2.462 11.033 1.00 0.00 N ATOM 0 H LYS A 74 7.878 -5.103 9.067 1.00 0.00 H new ATOM 0 HA LYS A 74 9.371 -3.906 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.799 -5.985 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.936 -5.982 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.998 -4.156 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.498 -3.271 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.312 -5.075 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.047 -4.843 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.131 -3.209 12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.702 -2.366 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.372 -1.843 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.577 -1.905 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.882 -3.220 10.974 1.00 0.00 H new ATOM 1010 N GLU A 75 8.342 -6.991 6.420 1.00 0.00 N ATOM 1011 CA GLU A 75 8.159 -7.991 5.369 1.00 0.00 C ATOM 1012 C GLU A 75 7.313 -7.437 4.224 1.00 0.00 C ATOM 1013 O GLU A 75 7.580 -7.719 3.056 1.00 0.00 O ATOM 1014 CB GLU A 75 7.498 -9.248 5.935 1.00 0.00 C ATOM 1015 CG GLU A 75 8.484 -10.271 6.478 1.00 0.00 C ATOM 1016 CD GLU A 75 8.813 -11.365 5.476 1.00 0.00 C ATOM 1017 OE1 GLU A 75 7.887 -11.841 4.781 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.997 -11.746 5.385 1.00 0.00 O ATOM 0 H GLU A 75 7.916 -7.237 7.314 1.00 0.00 H new ATOM 0 HA GLU A 75 9.144 -8.248 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.813 -8.959 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.898 -9.715 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.404 -9.763 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.071 -10.723 7.380 1.00 0.00 H new ATOM 1025 N ALA A 76 6.292 -6.648 4.567 1.00 0.00 N ATOM 1026 CA ALA A 76 5.407 -6.058 3.565 1.00 0.00 C ATOM 1027 C ALA A 76 6.164 -5.097 2.651 1.00 0.00 C ATOM 1028 O ALA A 76 5.850 -4.985 1.466 1.00 0.00 O ATOM 1029 CB ALA A 76 4.246 -5.343 4.238 1.00 0.00 C ATOM 0 H ALA A 76 6.059 -6.404 5.530 1.00 0.00 H new ATOM 0 HA ALA A 76 5.014 -6.867 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.596 -4.909 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.678 -6.055 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.630 -4.552 4.882 1.00 0.00 H new ATOM 1035 N VAL A 77 7.169 -4.413 3.203 1.00 0.00 N ATOM 1036 CA VAL A 77 7.973 -3.475 2.423 1.00 0.00 C ATOM 1037 C VAL A 77 8.699 -4.207 1.297 1.00 0.00 C ATOM 1038 O VAL A 77 8.732 -3.737 0.158 1.00 0.00 O ATOM 1039 CB VAL A 77 9.008 -2.736 3.301 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.735 -1.670 2.492 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.336 -2.122 4.522 1.00 0.00 C ATOM 0 H VAL A 77 7.443 -4.492 4.182 1.00 0.00 H new ATOM 0 HA VAL A 77 7.290 -2.736 2.004 1.00 0.00 H new ATOM 0 HB VAL A 77 9.744 -3.462 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.459 -1.161 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.253 -2.139 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.014 -0.946 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.082 -1.606 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.575 -1.411 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.869 -2.909 5.114 1.00 0.00 H new ATOM 1051 N THR A 78 9.266 -5.369 1.623 1.00 0.00 N ATOM 1052 CA THR A 78 9.978 -6.181 0.641 1.00 0.00 C ATOM 1053 C THR A 78 9.042 -6.596 -0.494 1.00 0.00 C ATOM 1054 O THR A 78 9.412 -6.529 -1.667 1.00 0.00 O ATOM 1055 CB THR A 78 10.577 -7.421 1.307 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.356 -7.058 2.433 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.458 -8.233 0.381 1.00 0.00 C ATOM 0 H THR A 78 9.245 -5.768 2.562 1.00 0.00 H new ATOM 0 HA THR A 78 10.787 -5.581 0.224 1.00 0.00 H new ATOM 0 HB THR A 78 9.723 -8.033 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.729 -7.864 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.850 -9.097 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.873 -8.571 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.286 -7.616 0.033 1.00 0.00 H new ATOM 1065 N ILE A 79 7.824 -7.013 -0.135 1.00 0.00 N ATOM 1066 CA ILE A 79 6.829 -7.426 -1.125 1.00 0.00 C ATOM 1067 C ILE A 79 6.539 -6.289 -2.103 1.00 0.00 C ATOM 1068 O ILE A 79 6.446 -6.510 -3.311 1.00 0.00 O ATOM 1069 CB ILE A 79 5.505 -7.876 -0.463 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.765 -8.981 0.568 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.517 -8.357 -1.519 1.00 0.00 C ATOM 1072 CD1 ILE A 79 4.549 -9.337 1.397 1.00 0.00 C ATOM 0 H ILE A 79 7.505 -7.073 0.832 1.00 0.00 H new ATOM 0 HA ILE A 79 7.251 -8.276 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 79 5.072 -7.019 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.115 -9.874 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.568 -8.663 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.591 -8.670 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.306 -7.546 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.946 -9.200 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.809 -10.125 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.211 -8.457 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.751 -9.686 0.741 1.00 0.00 H new ATOM 1084 N LEU A 80 6.409 -5.070 -1.572 1.00 0.00 N ATOM 1085 CA LEU A 80 6.143 -3.895 -2.400 1.00 0.00 C ATOM 1086 C LEU A 80 7.226 -3.723 -3.463 1.00 0.00 C ATOM 1087 O LEU A 80 6.928 -3.395 -4.612 1.00 0.00 O ATOM 1088 CB LEU A 80 6.055 -2.634 -1.536 1.00 0.00 C ATOM 1089 CG LEU A 80 4.654 -2.032 -1.414 1.00 0.00 C ATOM 1090 CD1 LEU A 80 3.933 -2.597 -0.199 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.734 -0.515 -1.336 1.00 0.00 C ATOM 0 H LEU A 80 6.484 -4.873 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 80 5.186 -4.047 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.421 -2.870 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.724 -1.880 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 80 4.083 -2.300 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.938 -2.157 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.845 -3.679 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.499 -2.361 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.729 -0.102 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.322 -0.226 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.209 -0.129 -2.238 1.00 0.00 H new ATOM 1103 N SER A 81 8.483 -3.955 -3.075 1.00 0.00 N ATOM 1104 CA SER A 81 9.606 -3.836 -4.005 1.00 0.00 C ATOM 1105 C SER A 81 9.479 -4.852 -5.142 1.00 0.00 C ATOM 1106 O SER A 81 9.824 -4.555 -6.287 1.00 0.00 O ATOM 1107 CB SER A 81 10.936 -4.033 -3.274 1.00 0.00 C ATOM 1108 OG SER A 81 12.020 -3.564 -4.057 1.00 0.00 O ATOM 0 H SER A 81 8.747 -4.225 -2.127 1.00 0.00 H new ATOM 0 HA SER A 81 9.585 -2.833 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.914 -3.502 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.077 -5.090 -3.047 1.00 0.00 H new ATOM 0 HG SER A 81 12.859 -3.699 -3.569 1.00 0.00 H new ATOM 1114 N GLN A 82 8.972 -6.046 -4.818 1.00 0.00 N ATOM 1115 CA GLN A 82 8.786 -7.104 -5.814 1.00 0.00 C ATOM 1116 C GLN A 82 7.740 -6.706 -6.858 1.00 0.00 C ATOM 1117 O GLN A 82 7.759 -7.212 -7.982 1.00 0.00 O ATOM 1118 CB GLN A 82 8.367 -8.420 -5.143 1.00 0.00 C ATOM 1119 CG GLN A 82 9.313 -8.886 -4.045 1.00 0.00 C ATOM 1120 CD GLN A 82 10.714 -9.171 -4.556 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.891 -9.786 -5.608 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.722 -8.725 -3.813 1.00 0.00 N ATOM 0 H GLN A 82 8.683 -6.303 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 82 9.743 -7.248 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.369 -8.299 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.299 -9.198 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.363 -8.124 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.910 -9.787 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.533 -8.219 -2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.685 -8.888 -4.108 1.00 0.00 H new ATOM 1131 N GLN A 83 6.826 -5.803 -6.481 1.00 0.00 N ATOM 1132 CA GLN A 83 5.776 -5.345 -7.390 1.00 0.00 C ATOM 1133 C GLN A 83 6.376 -4.573 -8.566 1.00 0.00 C ATOM 1134 O GLN A 83 6.576 -3.358 -8.491 1.00 0.00 O ATOM 1135 CB GLN A 83 4.755 -4.471 -6.645 1.00 0.00 C ATOM 1136 CG GLN A 83 4.282 -5.054 -5.319 1.00 0.00 C ATOM 1137 CD GLN A 83 3.717 -6.454 -5.459 1.00 0.00 C ATOM 1138 OE1 GLN A 83 2.580 -6.633 -5.886 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.512 -7.456 -5.098 1.00 0.00 N ATOM 0 H GLN A 83 6.795 -5.378 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 83 5.261 -6.223 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.197 -3.492 -6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.890 -4.314 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.116 -5.073 -4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.521 -4.401 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.450 -7.262 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.184 -8.419 -5.171 1.00 0.00 H new ATOM 1148 N ARG A 84 6.670 -5.294 -9.648 1.00 0.00 N ATOM 1149 CA ARG A 84 7.256 -4.695 -10.843 1.00 0.00 C ATOM 1150 C ARG A 84 6.209 -4.528 -11.940 1.00 0.00 C ATOM 1151 O ARG A 84 5.261 -5.313 -12.031 1.00 0.00 O ATOM 1152 CB ARG A 84 8.415 -5.555 -11.354 1.00 0.00 C ATOM 1153 CG ARG A 84 9.787 -5.016 -10.982 1.00 0.00 C ATOM 1154 CD ARG A 84 10.747 -5.071 -12.161 1.00 0.00 C ATOM 1155 NE ARG A 84 11.740 -3.998 -12.115 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.438 -3.576 -13.174 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.274 -4.148 -14.365 1.00 0.00 N ATOM 1158 NH2 ARG A 84 13.307 -2.581 -13.038 1.00 0.00 N ATOM 0 H ARG A 84 6.510 -6.299 -9.719 1.00 0.00 H new ATOM 0 HA ARG A 84 7.634 -3.708 -10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.310 -6.564 -10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.347 -5.633 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.693 -3.987 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.194 -5.595 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.256 -6.035 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.182 -5.002 -13.091 1.00 0.00 H new ATOM 0 HE ARG A 84 11.911 -3.543 -11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.611 -4.915 -14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.811 -3.819 -15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.440 -2.141 -12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.841 -2.257 -13.844 1.00 0.00 H new ATOM 1172 N GLY A 85 6.390 -3.500 -12.772 1.00 0.00 N ATOM 1173 CA GLY A 85 5.459 -3.239 -13.857 1.00 0.00 C ATOM 1174 C GLY A 85 4.076 -2.874 -13.353 1.00 0.00 C ATOM 1175 O GLY A 85 3.831 -1.727 -12.972 1.00 0.00 O ATOM 0 H GLY A 85 7.168 -2.843 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.844 -2.428 -14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.390 -4.121 -14.494 1.00 0.00 H new ATOM 1179 N GLU A 86 3.178 -3.857 -13.341 1.00 0.00 N ATOM 1180 CA GLU A 86 1.814 -3.648 -12.870 1.00 0.00 C ATOM 1181 C GLU A 86 1.702 -3.989 -11.387 1.00 0.00 C ATOM 1182 O GLU A 86 2.259 -4.988 -10.927 1.00 0.00 O ATOM 1183 CB GLU A 86 0.832 -4.499 -13.680 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.629 -4.194 -13.380 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.591 -5.096 -14.134 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.352 -6.322 -14.179 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.587 -4.574 -14.678 1.00 0.00 O ATOM 0 H GLU A 86 3.373 -4.808 -13.653 1.00 0.00 H new ATOM 0 HA GLU A 86 1.562 -2.596 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.017 -4.340 -14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.024 -5.553 -13.477 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.804 -4.300 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.837 -3.155 -13.636 1.00 0.00 H new ATOM 1194 N ILE A 87 0.984 -3.150 -10.644 1.00 0.00 N ATOM 1195 CA ILE A 87 0.804 -3.359 -9.211 1.00 0.00 C ATOM 1196 C ILE A 87 -0.638 -3.086 -8.792 1.00 0.00 C ATOM 1197 O ILE A 87 -1.166 -2.000 -9.029 1.00 0.00 O ATOM 1198 CB ILE A 87 1.737 -2.453 -8.379 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.154 -2.446 -8.962 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.757 -2.908 -6.926 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.102 -1.529 -8.222 1.00 0.00 C ATOM 0 H ILE A 87 0.518 -2.320 -11.011 1.00 0.00 H new ATOM 0 HA ILE A 87 1.053 -4.402 -9.018 1.00 0.00 H new ATOM 0 HB ILE A 87 1.351 -1.434 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.552 -3.461 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.107 -2.142 -10.008 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.419 -2.260 -6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.749 -2.855 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.117 -3.935 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.087 -1.572 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.726 -0.507 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.177 -1.846 -7.182 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.263 -4.074 -8.158 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.640 -3.936 -7.694 1.00 0.00 C ATOM 1215 C GLU A 88 -2.678 -3.651 -6.197 1.00 0.00 C ATOM 1216 O GLU A 88 -2.045 -4.353 -5.408 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.436 -5.206 -8.001 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.323 -5.089 -9.232 1.00 0.00 C ATOM 1219 CD GLU A 88 -4.871 -6.428 -9.691 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.441 -7.159 -8.851 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -4.732 -6.744 -10.890 1.00 0.00 O ATOM 0 H GLU A 88 -0.838 -4.979 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.093 -3.097 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.742 -6.034 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.056 -5.453 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.153 -4.417 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.753 -4.637 -10.044 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.423 -2.620 -5.808 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.542 -2.254 -4.403 1.00 0.00 C ATOM 1230 C PHE A 89 -4.993 -2.354 -3.938 1.00 0.00 C ATOM 1231 O PHE A 89 -5.897 -1.799 -4.567 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.015 -0.833 -4.183 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.761 -0.774 -3.358 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.515 -0.848 -3.960 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.830 -0.640 -1.981 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.639 -0.790 -3.203 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.680 -0.582 -1.219 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.557 -0.656 -1.830 1.00 0.00 C ATOM 0 H PHE A 89 -3.952 -2.025 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.944 -2.950 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.824 -0.372 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.788 -0.240 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.445 -0.952 -5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.794 -0.580 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.604 -0.849 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.747 -0.479 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.458 -0.609 -1.236 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.205 -3.058 -2.826 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.539 -3.230 -2.261 1.00 0.00 C ATOM 1250 C GLU A 90 -6.587 -2.652 -0.850 1.00 0.00 C ATOM 1251 O GLU A 90 -5.880 -3.121 0.047 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.928 -4.712 -2.245 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.407 -4.961 -2.512 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.665 -6.196 -3.361 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.818 -7.116 -3.359 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.720 -6.245 -4.026 1.00 0.00 O ATOM 0 H GLU A 90 -4.464 -3.520 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.255 -2.695 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.339 -5.241 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.667 -5.136 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.928 -5.067 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.831 -4.090 -3.012 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.407 -1.618 -0.667 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.530 -0.953 0.628 1.00 0.00 C ATOM 1265 C VAL A 91 -8.986 -0.604 0.958 1.00 0.00 C ATOM 1266 O VAL A 91 -9.875 -0.741 0.113 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.680 0.335 0.666 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.197 -0.001 0.754 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.967 1.204 -0.551 1.00 0.00 C ATOM 0 H VAL A 91 -7.996 -1.223 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.165 -1.656 1.377 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.953 0.899 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.616 0.921 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.007 -0.575 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.905 -0.590 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.358 2.107 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.727 0.650 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.022 1.478 -0.562 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.216 -0.152 2.195 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.554 0.223 2.657 1.00 0.00 C ATOM 1281 C VAL A 92 -10.504 1.523 3.463 1.00 0.00 C ATOM 1282 O VAL A 92 -9.669 1.675 4.357 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.182 -0.888 3.535 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.641 -0.581 3.847 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -11.057 -2.246 2.860 1.00 0.00 C ATOM 0 H VAL A 92 -8.486 -0.037 2.898 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.171 0.364 1.770 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.633 -0.919 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.056 -1.377 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.707 0.366 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.205 -0.511 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.505 -3.010 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.573 -2.224 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.004 -2.478 2.701 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.405 2.457 3.144 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.467 3.746 3.841 1.00 0.00 C ATOM 1297 C TYR A 93 -11.965 3.562 5.277 1.00 0.00 C ATOM 1298 O TYR A 93 -13.011 2.951 5.504 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.392 4.713 3.089 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.844 6.120 2.935 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.126 6.736 3.957 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.053 6.835 1.762 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.635 8.020 3.809 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.566 8.117 1.608 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.857 8.706 2.634 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.368 9.983 2.482 1.00 0.00 O ATOM 0 H TYR A 93 -12.102 2.345 2.408 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.461 4.165 3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.594 4.305 2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.346 4.764 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.950 6.203 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.607 6.379 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.080 8.484 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.739 8.656 0.689 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.611 10.323 1.596 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.208 4.090 6.242 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.572 3.979 7.655 1.00 0.00 C ATOM 1318 C VAL A 94 -11.883 5.348 8.259 1.00 0.00 C ATOM 1319 O VAL A 94 -11.151 6.315 8.036 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.442 3.317 8.475 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.906 3.011 9.892 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.947 2.052 7.787 1.00 0.00 C ATOM 0 H VAL A 94 -10.340 4.598 6.070 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.464 3.355 7.701 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.612 4.021 8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.093 2.546 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.201 3.937 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.757 2.331 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.152 1.602 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.771 1.345 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.564 2.302 6.798 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.971 5.421 9.028 1.00 0.00 N ATOM 1333 CA ALA A 95 -13.379 6.667 9.669 1.00 0.00 C ATOM 1334 C ALA A 95 -14.257 6.396 10.890 1.00 0.00 C ATOM 1335 O ALA A 95 -15.386 5.887 10.711 1.00 0.00 O ATOM 1336 CB ALA A 95 -14.104 7.561 8.673 1.00 0.00 C ATOM 0 H ALA A 95 -13.585 4.629 9.221 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.482 7.183 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.402 8.487 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.440 7.791 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.990 7.047 8.300 1.00 0.00 H new