USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN :FLIP amide:sc= -2.19! C(o=-5.1!,f=-1.5!) USER MOD Set 1.2: A 68 SER OG : rot 179:sc= 0.737 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -143:sc= -0.0315 (180deg=-0.77) USER MOD Single : A 1 ARG N :NH3+ -164:sc= -0.0321 (180deg=-0.425) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0.0975 K(o=0.097,f=-0.87) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 6 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.75!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 8 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-4.1) USER MOD Single : A 9 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=-0.28) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00542 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 20 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.54) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 50:sc= -3.73! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0544) USER MOD Single : A 34 TYR OH : rot 120:sc= -2.11! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 15:sc= 0.748 USER MOD Single : A 49 HIS :FLIP no HD1:sc= -4.91 F(o=-5.6!,f=-4.9) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.18) USER MOD Single : A 62 ASN : amide:sc= -0.984 K(o=-0.98,f=-9.1!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 MET CE :methyl 142:sc= -1.54 (180deg=-3.7!) USER MOD Single : A 82 SER OG : rot 120:sc= -3.18! USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 0.286 (180deg=-0.188) USER MOD Single : A 86 MET CE :methyl 150:sc= -0.614 (180deg=-2.53!) USER MOD Single : A 88 ASN : amide:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 96 THR OG1 : rot 180:sc= -3.73! USER MOD Single : A 99 SER OG : rot 160:sc= -0.0662 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -112:sc= -0.484 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.564 8.397 -24.666 1.00 0.00 N ATOM 2 CA ARG A 1 -1.163 8.810 -24.366 1.00 0.00 C ATOM 3 C ARG A 1 -0.465 7.703 -23.575 1.00 0.00 C ATOM 4 O ARG A 1 -0.566 7.632 -22.366 1.00 0.00 O ATOM 5 CB ARG A 1 -1.177 10.097 -23.541 1.00 0.00 C ATOM 6 CG ARG A 1 -1.842 11.214 -24.348 1.00 0.00 C ATOM 7 CD ARG A 1 -1.732 12.533 -23.580 1.00 0.00 C ATOM 8 NE ARG A 1 -2.310 12.364 -22.216 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.474 13.402 -21.445 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.357 14.313 -21.752 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.755 13.530 -20.363 1.00 0.00 N ATOM 0 H1 ARG A 1 -2.951 9.003 -25.417 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.574 7.406 -24.981 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.145 8.493 -23.809 1.00 0.00 H new ATOM 0 HA ARG A 1 -0.626 8.983 -25.299 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -1.717 9.937 -22.608 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.159 10.382 -23.275 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -1.363 11.307 -25.323 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.889 10.972 -24.529 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.688 12.839 -23.509 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.260 13.323 -24.115 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.577 11.436 -21.886 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.920 14.213 -22.597 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.484 15.125 -21.147 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.066 12.818 -20.122 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.883 14.342 -19.759 1.00 0.00 H new ATOM 27 N GLY A 2 0.245 6.837 -24.247 1.00 0.00 N ATOM 28 CA GLY A 2 0.949 5.736 -23.531 1.00 0.00 C ATOM 29 C GLY A 2 -0.071 4.695 -23.068 1.00 0.00 C ATOM 30 O GLY A 2 -0.846 4.180 -23.849 1.00 0.00 O ATOM 0 H GLY A 2 0.367 6.845 -25.260 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.685 5.273 -24.188 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.493 6.134 -22.674 1.00 0.00 H new ATOM 34 N SER A 3 -0.078 4.381 -21.801 1.00 0.00 N ATOM 35 CA SER A 3 -1.049 3.374 -21.287 1.00 0.00 C ATOM 36 C SER A 3 -1.591 3.835 -19.934 1.00 0.00 C ATOM 37 O SER A 3 -1.086 4.763 -19.335 1.00 0.00 O ATOM 38 CB SER A 3 -0.346 2.024 -21.124 1.00 0.00 C ATOM 39 OG SER A 3 0.771 2.174 -20.260 1.00 0.00 O ATOM 0 H SER A 3 0.547 4.778 -21.100 1.00 0.00 H new ATOM 0 HA SER A 3 -1.874 3.270 -21.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.039 1.288 -20.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.021 1.652 -22.095 1.00 0.00 H new ATOM 0 HG SER A 3 1.221 1.310 -20.154 1.00 0.00 H new ATOM 45 N HIS A 4 -2.619 3.195 -19.446 1.00 0.00 N ATOM 46 CA HIS A 4 -3.192 3.601 -18.131 1.00 0.00 C ATOM 47 C HIS A 4 -2.819 2.564 -17.070 1.00 0.00 C ATOM 48 O HIS A 4 -3.434 1.522 -16.964 1.00 0.00 O ATOM 49 CB HIS A 4 -4.719 3.692 -18.235 1.00 0.00 C ATOM 50 CG HIS A 4 -5.129 3.732 -19.683 1.00 0.00 C ATOM 51 ND1 HIS A 4 -5.376 2.578 -20.412 1.00 0.00 N ATOM 52 CD2 HIS A 4 -5.340 4.776 -20.549 1.00 0.00 C ATOM 53 CE1 HIS A 4 -5.719 2.953 -21.659 1.00 0.00 C ATOM 54 NE2 HIS A 4 -5.712 4.282 -21.796 1.00 0.00 N ATOM 0 H HIS A 4 -3.086 2.410 -19.900 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.790 4.575 -17.851 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.178 2.836 -17.741 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.075 4.585 -17.722 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.234 5.822 -20.301 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.969 2.264 -22.452 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.932 4.819 -22.635 1.00 0.00 H new ATOM 62 N HIS A 5 -1.815 2.841 -16.283 1.00 0.00 N ATOM 63 CA HIS A 5 -1.407 1.869 -15.230 1.00 0.00 C ATOM 64 C HIS A 5 -2.555 1.681 -14.237 1.00 0.00 C ATOM 65 O HIS A 5 -2.844 0.581 -13.807 1.00 0.00 O ATOM 66 CB HIS A 5 -0.178 2.406 -14.491 1.00 0.00 C ATOM 67 CG HIS A 5 0.306 1.373 -13.511 1.00 0.00 C ATOM 68 ND1 HIS A 5 0.763 0.128 -13.914 1.00 0.00 N ATOM 69 CD2 HIS A 5 0.411 1.384 -12.141 1.00 0.00 C ATOM 70 CE1 HIS A 5 1.118 -0.552 -12.809 1.00 0.00 C ATOM 71 NE2 HIS A 5 0.923 0.168 -11.700 1.00 0.00 N ATOM 0 H HIS A 5 -1.261 3.696 -16.324 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.166 0.912 -15.692 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.612 2.646 -15.203 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.429 3.329 -13.969 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.137 2.211 -11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.513 -1.557 -12.817 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.109 -0.113 -10.738 1.00 0.00 H new ATOM 79 N HIS A 6 -3.216 2.745 -13.871 1.00 0.00 N ATOM 80 CA HIS A 6 -4.346 2.628 -12.908 1.00 0.00 C ATOM 81 C HIS A 6 -5.632 2.299 -13.668 1.00 0.00 C ATOM 82 O HIS A 6 -5.884 2.824 -14.734 1.00 0.00 O ATOM 83 CB HIS A 6 -4.521 3.954 -12.165 1.00 0.00 C ATOM 84 CG HIS A 6 -4.089 3.789 -10.733 1.00 0.00 C ATOM 85 ND1 HIS A 6 -4.272 2.604 -10.037 1.00 0.00 N ATOM 86 CD2 HIS A 6 -3.483 4.650 -9.853 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.785 2.784 -8.796 1.00 0.00 C ATOM 88 NE2 HIS A 6 -3.291 4.014 -8.630 1.00 0.00 N ATOM 0 H HIS A 6 -3.022 3.691 -14.198 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.132 1.834 -12.193 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.930 4.733 -12.646 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.563 4.272 -12.207 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.198 5.668 -10.076 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.792 2.026 -8.027 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.865 4.403 -7.789 1.00 0.00 H new ATOM 96 N HIS A 7 -6.449 1.436 -13.129 1.00 0.00 N ATOM 97 CA HIS A 7 -7.717 1.079 -13.823 1.00 0.00 C ATOM 98 C HIS A 7 -8.620 2.312 -13.900 1.00 0.00 C ATOM 99 O HIS A 7 -9.239 2.578 -14.910 1.00 0.00 O ATOM 100 CB HIS A 7 -8.431 -0.029 -13.045 1.00 0.00 C ATOM 101 CG HIS A 7 -9.776 -0.291 -13.666 1.00 0.00 C ATOM 102 ND1 HIS A 7 -10.958 0.117 -13.068 1.00 0.00 N ATOM 103 CD2 HIS A 7 -10.143 -0.918 -14.832 1.00 0.00 C ATOM 104 CE1 HIS A 7 -11.970 -0.265 -13.868 1.00 0.00 C ATOM 105 NE2 HIS A 7 -11.529 -0.902 -14.957 1.00 0.00 N ATOM 0 H HIS A 7 -6.293 0.963 -12.239 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.494 0.728 -14.831 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.831 -0.939 -13.054 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.551 0.264 -12.002 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.459 -1.357 -15.544 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.013 -0.079 -13.656 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.088 -1.292 -15.716 1.00 0.00 H new ATOM 113 N HIS A 8 -8.696 3.069 -12.839 1.00 0.00 N ATOM 114 CA HIS A 8 -9.556 4.285 -12.852 1.00 0.00 C ATOM 115 C HIS A 8 -8.733 5.496 -12.407 1.00 0.00 C ATOM 116 O HIS A 8 -7.913 5.406 -11.515 1.00 0.00 O ATOM 117 CB HIS A 8 -10.734 4.088 -11.894 1.00 0.00 C ATOM 118 CG HIS A 8 -10.215 3.784 -10.515 1.00 0.00 C ATOM 119 ND1 HIS A 8 -9.893 4.784 -9.610 1.00 0.00 N ATOM 120 CD2 HIS A 8 -9.959 2.599 -9.872 1.00 0.00 C ATOM 121 CE1 HIS A 8 -9.465 4.187 -8.483 1.00 0.00 C ATOM 122 NE2 HIS A 8 -9.485 2.855 -8.588 1.00 0.00 N ATOM 0 H HIS A 8 -8.200 2.897 -11.965 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.933 4.453 -13.861 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -11.352 4.986 -11.872 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.368 3.273 -12.243 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.103 1.617 -10.297 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.144 4.720 -7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.212 2.173 -7.880 1.00 0.00 H new ATOM 130 N HIS A 9 -8.942 6.627 -13.024 1.00 0.00 N ATOM 131 CA HIS A 9 -8.169 7.840 -12.638 1.00 0.00 C ATOM 132 C HIS A 9 -8.321 8.088 -11.135 1.00 0.00 C ATOM 133 O HIS A 9 -7.402 8.528 -10.474 1.00 0.00 O ATOM 134 CB HIS A 9 -8.700 9.050 -13.410 1.00 0.00 C ATOM 135 CG HIS A 9 -8.445 8.856 -14.880 1.00 0.00 C ATOM 136 ND1 HIS A 9 -9.405 8.336 -15.733 1.00 0.00 N ATOM 137 CD2 HIS A 9 -7.345 9.107 -15.662 1.00 0.00 C ATOM 138 CE1 HIS A 9 -8.869 8.290 -16.967 1.00 0.00 C ATOM 139 NE2 HIS A 9 -7.615 8.748 -16.979 1.00 0.00 N ATOM 0 H HIS A 9 -9.615 6.763 -13.779 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.116 7.689 -12.876 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.768 9.171 -13.228 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.212 9.960 -13.062 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.412 9.520 -15.309 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.390 7.927 -17.841 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.989 8.819 -17.781 1.00 0.00 H new ATOM 147 N GLY A 10 -9.474 7.809 -10.592 1.00 0.00 N ATOM 148 CA GLY A 10 -9.682 8.028 -9.133 1.00 0.00 C ATOM 149 C GLY A 10 -10.224 9.440 -8.901 1.00 0.00 C ATOM 150 O GLY A 10 -10.768 10.060 -9.794 1.00 0.00 O ATOM 0 H GLY A 10 -10.280 7.439 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.381 7.290 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.742 7.895 -8.597 1.00 0.00 H new ATOM 154 N SER A 11 -10.082 9.953 -7.711 1.00 0.00 N ATOM 155 CA SER A 11 -10.590 11.325 -7.426 1.00 0.00 C ATOM 156 C SER A 11 -9.430 12.217 -6.979 1.00 0.00 C ATOM 157 O SER A 11 -8.816 11.986 -5.955 1.00 0.00 O ATOM 158 CB SER A 11 -11.641 11.260 -6.317 1.00 0.00 C ATOM 159 OG SER A 11 -12.300 12.514 -6.213 1.00 0.00 O ATOM 0 H SER A 11 -9.636 9.482 -6.923 1.00 0.00 H new ATOM 0 HA SER A 11 -11.040 11.740 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.365 10.474 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.168 11.006 -5.368 1.00 0.00 H new ATOM 0 HG SER A 11 -12.975 12.471 -5.503 1.00 0.00 H new ATOM 165 N ALA A 12 -9.126 13.235 -7.736 1.00 0.00 N ATOM 166 CA ALA A 12 -8.007 14.140 -7.353 1.00 0.00 C ATOM 167 C ALA A 12 -8.296 15.553 -7.865 1.00 0.00 C ATOM 168 O ALA A 12 -9.284 15.793 -8.530 1.00 0.00 O ATOM 169 CB ALA A 12 -6.703 13.631 -7.972 1.00 0.00 C ATOM 0 H ALA A 12 -9.604 13.479 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.911 14.158 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.884 14.294 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.496 12.624 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.799 13.612 -9.058 1.00 0.00 H new ATOM 175 N VAL A 13 -7.441 16.491 -7.561 1.00 0.00 N ATOM 176 CA VAL A 13 -7.669 17.887 -8.029 1.00 0.00 C ATOM 177 C VAL A 13 -6.480 18.343 -8.876 1.00 0.00 C ATOM 178 O VAL A 13 -5.346 18.317 -8.437 1.00 0.00 O ATOM 179 CB VAL A 13 -7.818 18.814 -6.821 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.082 20.242 -7.303 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.989 18.341 -5.956 1.00 0.00 C ATOM 0 H VAL A 13 -6.595 16.351 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.578 17.923 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.901 18.794 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.188 20.903 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.247 20.579 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.999 20.263 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.095 19.001 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.907 18.360 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.800 17.324 -5.612 1.00 0.00 H new ATOM 191 N GLN A 14 -6.727 18.762 -10.087 1.00 0.00 N ATOM 192 CA GLN A 14 -5.610 19.223 -10.958 1.00 0.00 C ATOM 193 C GLN A 14 -5.751 20.725 -11.207 1.00 0.00 C ATOM 194 O GLN A 14 -6.753 21.190 -11.712 1.00 0.00 O ATOM 195 CB GLN A 14 -5.659 18.474 -12.291 1.00 0.00 C ATOM 196 CG GLN A 14 -5.395 16.987 -12.047 1.00 0.00 C ATOM 197 CD GLN A 14 -5.473 16.231 -13.376 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.992 16.741 -14.349 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.976 15.028 -13.457 1.00 0.00 N ATOM 0 H GLN A 14 -7.654 18.805 -10.510 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.657 19.023 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.633 18.610 -12.762 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.915 18.879 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.412 16.850 -11.596 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.127 16.587 -11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.540 14.600 -12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.023 14.515 -14.337 1.00 0.00 H new ATOM 208 N VAL A 15 -4.756 21.489 -10.850 1.00 0.00 N ATOM 209 CA VAL A 15 -4.833 22.960 -11.058 1.00 0.00 C ATOM 210 C VAL A 15 -3.579 23.443 -11.790 1.00 0.00 C ATOM 211 O VAL A 15 -2.482 22.995 -11.524 1.00 0.00 O ATOM 212 CB VAL A 15 -4.922 23.645 -9.697 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.619 23.416 -8.935 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.150 25.145 -9.888 1.00 0.00 C ATOM 0 H VAL A 15 -3.892 21.156 -10.422 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.712 23.202 -11.656 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.755 23.228 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.676 23.903 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.461 22.346 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.788 23.835 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.213 25.630 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.320 25.570 -10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.080 25.305 -10.434 1.00 0.00 H new ATOM 224 N THR A 16 -3.731 24.355 -12.713 1.00 0.00 N ATOM 225 CA THR A 16 -2.546 24.864 -13.460 1.00 0.00 C ATOM 226 C THR A 16 -2.698 26.369 -13.696 1.00 0.00 C ATOM 227 O THR A 16 -3.787 26.870 -13.891 1.00 0.00 O ATOM 228 CB THR A 16 -2.446 24.143 -14.806 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.438 24.650 -15.687 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.659 22.643 -14.601 1.00 0.00 C ATOM 0 H THR A 16 -4.624 24.769 -12.981 1.00 0.00 H new ATOM 0 HA THR A 16 -1.642 24.678 -12.879 1.00 0.00 H new ATOM 0 HB THR A 16 -1.459 24.310 -15.236 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.374 24.191 -16.550 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.588 22.131 -15.561 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.896 22.256 -13.925 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.646 22.471 -14.171 1.00 0.00 H new ATOM 238 N PHE A 17 -1.612 27.094 -13.681 1.00 0.00 N ATOM 239 CA PHE A 17 -1.693 28.567 -13.905 1.00 0.00 C ATOM 240 C PHE A 17 -0.921 28.934 -15.172 1.00 0.00 C ATOM 241 O PHE A 17 0.045 28.291 -15.529 1.00 0.00 O ATOM 242 CB PHE A 17 -1.065 29.305 -12.721 1.00 0.00 C ATOM 243 CG PHE A 17 -1.784 28.945 -11.445 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.708 27.641 -10.939 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.520 29.920 -10.763 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.371 27.314 -9.750 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.181 29.595 -9.574 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.106 28.290 -9.067 1.00 0.00 C ATOM 0 H PHE A 17 -0.672 26.730 -13.523 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.740 28.853 -14.008 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.010 29.045 -12.639 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.116 30.381 -12.885 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.139 26.889 -11.465 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.578 30.925 -11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.315 26.309 -9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.748 30.348 -9.047 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.616 28.038 -8.149 1.00 0.00 H new ATOM 258 N THR A 18 -1.325 29.972 -15.848 1.00 0.00 N ATOM 259 CA THR A 18 -0.591 30.380 -17.079 1.00 0.00 C ATOM 260 C THR A 18 -0.598 31.906 -17.192 1.00 0.00 C ATOM 261 O THR A 18 -1.634 32.538 -17.127 1.00 0.00 O ATOM 262 CB THR A 18 -1.262 29.766 -18.310 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.254 28.350 -18.194 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.499 30.181 -19.568 1.00 0.00 C ATOM 0 H THR A 18 -2.127 30.553 -15.604 1.00 0.00 H new ATOM 0 HA THR A 18 0.438 30.025 -17.022 1.00 0.00 H new ATOM 0 HB THR A 18 -2.291 30.119 -18.379 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.685 27.955 -18.981 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.977 29.744 -20.444 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.505 31.267 -19.656 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.530 29.828 -19.502 1.00 0.00 H new ATOM 272 N VAL A 19 0.551 32.503 -17.360 1.00 0.00 N ATOM 273 CA VAL A 19 0.610 33.988 -17.475 1.00 0.00 C ATOM 274 C VAL A 19 0.140 34.408 -18.868 1.00 0.00 C ATOM 275 O VAL A 19 0.605 33.897 -19.868 1.00 0.00 O ATOM 276 CB VAL A 19 2.049 34.461 -17.263 1.00 0.00 C ATOM 277 CG1 VAL A 19 2.057 35.970 -17.004 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.654 33.735 -16.061 1.00 0.00 C ATOM 0 H VAL A 19 1.451 32.027 -17.423 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.035 34.436 -16.719 1.00 0.00 H new ATOM 0 HB VAL A 19 2.638 34.241 -18.154 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.082 36.308 -16.853 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.627 36.489 -17.861 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.468 36.189 -16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.679 34.072 -15.910 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.066 33.954 -15.170 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.649 32.661 -16.245 1.00 0.00 H new ATOM 288 N GLN A 20 -0.779 35.330 -18.946 1.00 0.00 N ATOM 289 CA GLN A 20 -1.272 35.773 -20.281 1.00 0.00 C ATOM 290 C GLN A 20 -0.468 36.987 -20.748 1.00 0.00 C ATOM 291 O GLN A 20 0.482 37.400 -20.113 1.00 0.00 O ATOM 292 CB GLN A 20 -2.752 36.147 -20.177 1.00 0.00 C ATOM 293 CG GLN A 20 -3.530 34.983 -19.558 1.00 0.00 C ATOM 294 CD GLN A 20 -3.414 33.754 -20.462 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.784 33.799 -21.619 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.912 32.649 -19.982 1.00 0.00 N ATOM 0 H GLN A 20 -1.209 35.795 -18.146 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.151 34.963 -21.000 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.870 37.043 -19.567 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.150 36.380 -21.165 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.139 34.756 -18.566 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.577 35.258 -19.432 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.601 32.610 -19.011 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.831 31.825 -20.578 1.00 0.00 H new ATOM 305 N LYS A 21 -0.839 37.558 -21.861 1.00 0.00 N ATOM 306 CA LYS A 21 -0.101 38.742 -22.384 1.00 0.00 C ATOM 307 C LYS A 21 -0.583 40.012 -21.678 1.00 0.00 C ATOM 308 O LYS A 21 -1.114 40.909 -22.304 1.00 0.00 O ATOM 309 CB LYS A 21 -0.371 38.873 -23.885 1.00 0.00 C ATOM 310 CG LYS A 21 -0.048 37.549 -24.580 1.00 0.00 C ATOM 311 CD LYS A 21 0.055 37.778 -26.090 1.00 0.00 C ATOM 312 CE LYS A 21 0.321 36.444 -26.791 1.00 0.00 C ATOM 313 NZ LYS A 21 1.781 36.149 -26.764 1.00 0.00 N ATOM 0 H LYS A 21 -1.626 37.253 -22.434 1.00 0.00 H new ATOM 0 HA LYS A 21 0.966 38.612 -22.202 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.414 39.140 -24.056 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.236 39.674 -24.306 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.889 37.144 -24.198 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.824 36.814 -24.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.868 38.221 -26.465 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.858 38.482 -26.308 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.231 35.645 -26.296 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.033 36.486 -27.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.961 35.242 -27.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.297 36.907 -27.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.105 36.092 -25.778 1.00 0.00 H new ATOM 327 N GLY A 22 -0.412 40.108 -20.387 1.00 0.00 N ATOM 328 CA GLY A 22 -0.878 41.336 -19.681 1.00 0.00 C ATOM 329 C GLY A 22 -0.348 41.369 -18.245 1.00 0.00 C ATOM 330 O GLY A 22 -0.923 42.004 -17.383 1.00 0.00 O ATOM 0 H GLY A 22 0.024 39.399 -19.797 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.540 42.221 -20.219 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.968 41.365 -19.673 1.00 0.00 H new ATOM 334 N SER A 23 0.741 40.703 -17.970 1.00 0.00 N ATOM 335 CA SER A 23 1.284 40.724 -16.582 1.00 0.00 C ATOM 336 C SER A 23 2.060 42.026 -16.363 1.00 0.00 C ATOM 337 O SER A 23 2.716 42.524 -17.257 1.00 0.00 O ATOM 338 CB SER A 23 2.218 39.530 -16.377 1.00 0.00 C ATOM 339 OG SER A 23 1.447 38.343 -16.256 1.00 0.00 O ATOM 0 H SER A 23 1.274 40.150 -18.641 1.00 0.00 H new ATOM 0 HA SER A 23 0.462 40.663 -15.868 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.907 39.445 -17.217 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.823 39.677 -15.482 1.00 0.00 H new ATOM 0 HG SER A 23 0.805 38.293 -16.995 1.00 0.00 H new ATOM 345 N ASP A 24 1.990 42.586 -15.185 1.00 0.00 N ATOM 346 CA ASP A 24 2.722 43.859 -14.920 1.00 0.00 C ATOM 347 C ASP A 24 3.383 43.794 -13.540 1.00 0.00 C ATOM 348 O ASP A 24 3.191 42.855 -12.795 1.00 0.00 O ATOM 349 CB ASP A 24 1.740 45.035 -14.960 1.00 0.00 C ATOM 350 CG ASP A 24 0.465 44.619 -15.699 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.205 43.719 -15.222 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.182 45.209 -16.729 1.00 0.00 O ATOM 0 H ASP A 24 1.459 42.218 -14.396 1.00 0.00 H new ATOM 0 HA ASP A 24 3.488 43.999 -15.683 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.497 45.353 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.199 45.888 -15.460 1.00 0.00 H new ATOM 357 N PRO A 25 4.183 44.818 -13.199 1.00 0.00 N ATOM 358 CA PRO A 25 4.882 44.883 -11.907 1.00 0.00 C ATOM 359 C PRO A 25 3.919 45.139 -10.745 1.00 0.00 C ATOM 360 O PRO A 25 4.145 44.701 -9.634 1.00 0.00 O ATOM 361 CB PRO A 25 5.827 46.073 -12.069 1.00 0.00 C ATOM 362 CG PRO A 25 5.187 46.926 -13.111 1.00 0.00 C ATOM 363 CD PRO A 25 4.468 45.992 -14.044 1.00 0.00 C ATOM 0 HA PRO A 25 5.387 43.946 -11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.945 46.615 -11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.821 45.750 -12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.492 47.634 -12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.935 47.510 -13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.553 46.438 -14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.085 45.729 -14.903 1.00 0.00 H new ATOM 371 N LYS A 26 2.845 45.836 -10.991 1.00 0.00 N ATOM 372 CA LYS A 26 1.868 46.109 -9.899 1.00 0.00 C ATOM 373 C LYS A 26 0.545 45.417 -10.228 1.00 0.00 C ATOM 374 O LYS A 26 -0.441 45.571 -9.536 1.00 0.00 O ATOM 375 CB LYS A 26 1.645 47.617 -9.776 1.00 0.00 C ATOM 376 CG LYS A 26 2.996 48.323 -9.657 1.00 0.00 C ATOM 377 CD LYS A 26 2.781 49.837 -9.621 1.00 0.00 C ATOM 378 CE LYS A 26 4.136 50.540 -9.517 1.00 0.00 C ATOM 379 NZ LYS A 26 3.934 52.016 -9.555 1.00 0.00 N ATOM 0 H LYS A 26 2.601 46.228 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 26 2.255 45.728 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.104 47.988 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.030 47.835 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.510 47.997 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.633 48.056 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.258 50.163 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.153 50.106 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.636 50.254 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.783 50.229 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.855 52.494 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.474 52.281 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.332 52.305 -8.758 1.00 0.00 H new ATOM 393 N LYS A 27 0.524 44.650 -11.281 1.00 0.00 N ATOM 394 CA LYS A 27 -0.720 43.935 -11.670 1.00 0.00 C ATOM 395 C LYS A 27 -0.348 42.550 -12.195 1.00 0.00 C ATOM 396 O LYS A 27 0.554 42.405 -12.995 1.00 0.00 O ATOM 397 CB LYS A 27 -1.438 44.718 -12.771 1.00 0.00 C ATOM 398 CG LYS A 27 -2.056 45.986 -12.181 1.00 0.00 C ATOM 399 CD LYS A 27 -2.920 46.670 -13.243 1.00 0.00 C ATOM 400 CE LYS A 27 -3.169 48.124 -12.841 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.944 48.808 -13.914 1.00 0.00 N ATOM 0 H LYS A 27 1.323 44.487 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.378 43.843 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.736 44.978 -13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.214 44.100 -13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.661 45.738 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.272 46.663 -11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.423 46.630 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.869 46.144 -13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.717 48.164 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.220 48.636 -12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.496 49.587 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.289 49.188 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.589 48.128 -14.364 1.00 0.00 H new ATOM 415 N LEU A 28 -1.028 41.528 -11.756 1.00 0.00 N ATOM 416 CA LEU A 28 -0.693 40.162 -12.244 1.00 0.00 C ATOM 417 C LEU A 28 -1.931 39.531 -12.882 1.00 0.00 C ATOM 418 O LEU A 28 -2.969 39.392 -12.267 1.00 0.00 O ATOM 419 CB LEU A 28 -0.203 39.298 -11.075 1.00 0.00 C ATOM 420 CG LEU A 28 0.657 38.133 -11.582 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.220 37.723 -12.990 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.125 38.558 -11.609 1.00 0.00 C ATOM 0 H LEU A 28 -1.795 41.578 -11.086 1.00 0.00 H new ATOM 0 HA LEU A 28 0.100 40.227 -12.989 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.376 39.909 -10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.057 38.911 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 28 0.531 37.283 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.839 36.895 -13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.824 37.412 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.334 38.570 -13.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.737 37.731 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.244 39.414 -12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.443 38.833 -10.603 1.00 0.00 H new ATOM 434 N VAL A 29 -1.804 39.134 -14.118 1.00 0.00 N ATOM 435 CA VAL A 29 -2.935 38.488 -14.833 1.00 0.00 C ATOM 436 C VAL A 29 -2.498 37.078 -15.221 1.00 0.00 C ATOM 437 O VAL A 29 -1.486 36.893 -15.867 1.00 0.00 O ATOM 438 CB VAL A 29 -3.270 39.286 -16.094 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.550 38.733 -16.724 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.477 40.757 -15.727 1.00 0.00 C ATOM 0 H VAL A 29 -0.951 39.232 -14.669 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.819 38.453 -14.196 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.449 39.201 -16.806 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.788 39.302 -17.623 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.403 37.685 -16.986 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.372 38.817 -16.013 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.716 41.326 -16.625 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.298 40.842 -15.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.565 41.152 -15.279 1.00 0.00 H new ATOM 450 N LEU A 30 -3.237 36.078 -14.831 1.00 0.00 N ATOM 451 CA LEU A 30 -2.829 34.690 -15.180 1.00 0.00 C ATOM 452 C LEU A 30 -4.061 33.832 -15.451 1.00 0.00 C ATOM 453 O LEU A 30 -5.086 33.976 -14.813 1.00 0.00 O ATOM 454 CB LEU A 30 -2.053 34.070 -14.013 1.00 0.00 C ATOM 455 CG LEU A 30 -0.855 34.948 -13.648 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.910 35.285 -12.156 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.439 34.191 -13.951 1.00 0.00 C ATOM 0 H LEU A 30 -4.098 36.160 -14.291 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.202 34.727 -16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.708 33.959 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.712 33.071 -14.284 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.884 35.868 -14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.057 35.911 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.834 35.820 -11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.878 34.364 -11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.295 34.815 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.469 33.272 -13.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.477 33.946 -15.012 1.00 0.00 H new ATOM 469 N ASP A 31 -3.955 32.908 -16.364 1.00 0.00 N ATOM 470 CA ASP A 31 -5.102 32.009 -16.641 1.00 0.00 C ATOM 471 C ASP A 31 -5.019 30.855 -15.645 1.00 0.00 C ATOM 472 O ASP A 31 -3.952 30.340 -15.377 1.00 0.00 O ATOM 473 CB ASP A 31 -5.008 31.471 -18.071 1.00 0.00 C ATOM 474 CG ASP A 31 -6.222 30.588 -18.364 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.077 30.484 -17.499 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.277 30.029 -19.447 1.00 0.00 O ATOM 0 H ASP A 31 -3.123 32.739 -16.929 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.047 32.542 -16.540 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.967 32.298 -18.780 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.089 30.898 -18.196 1.00 0.00 H new ATOM 481 N ILE A 32 -6.115 30.450 -15.074 1.00 0.00 N ATOM 482 CA ILE A 32 -6.040 29.343 -14.086 1.00 0.00 C ATOM 483 C ILE A 32 -6.903 28.166 -14.529 1.00 0.00 C ATOM 484 O ILE A 32 -8.069 28.311 -14.840 1.00 0.00 O ATOM 485 CB ILE A 32 -6.521 29.832 -12.721 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.498 30.809 -12.140 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.685 28.635 -11.781 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.125 31.567 -10.966 1.00 0.00 C ATOM 0 H ILE A 32 -7.046 30.830 -15.244 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.003 29.016 -14.017 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.480 30.339 -12.831 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.612 30.269 -11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.173 31.511 -12.908 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.028 28.982 -10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.416 27.943 -12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.727 28.127 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.396 32.263 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.998 32.120 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.428 30.858 -10.196 1.00 0.00 H new ATOM 500 N LYS A 33 -6.338 26.993 -14.521 1.00 0.00 N ATOM 501 CA LYS A 33 -7.117 25.786 -14.898 1.00 0.00 C ATOM 502 C LYS A 33 -7.334 24.963 -13.631 1.00 0.00 C ATOM 503 O LYS A 33 -6.397 24.550 -12.978 1.00 0.00 O ATOM 504 CB LYS A 33 -6.351 24.963 -15.935 1.00 0.00 C ATOM 505 CG LYS A 33 -7.292 23.932 -16.559 1.00 0.00 C ATOM 506 CD LYS A 33 -6.528 23.096 -17.586 1.00 0.00 C ATOM 507 CE LYS A 33 -7.507 22.180 -18.324 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.942 21.082 -17.413 1.00 0.00 N ATOM 0 H LYS A 33 -5.365 26.819 -14.268 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.073 26.072 -15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.946 25.617 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.505 24.462 -15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.705 23.286 -15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.133 24.435 -17.037 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.018 23.748 -18.295 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.761 22.502 -17.090 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.372 22.751 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.033 21.764 -19.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.512 20.394 -17.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.106 20.607 -17.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.512 21.479 -16.639 1.00 0.00 H new ATOM 522 N TYR A 34 -8.563 24.743 -13.265 1.00 0.00 N ATOM 523 CA TYR A 34 -8.844 23.968 -12.025 1.00 0.00 C ATOM 524 C TYR A 34 -9.698 22.746 -12.363 1.00 0.00 C ATOM 525 O TYR A 34 -10.761 22.861 -12.940 1.00 0.00 O ATOM 526 CB TYR A 34 -9.588 24.868 -11.038 1.00 0.00 C ATOM 527 CG TYR A 34 -9.756 24.151 -9.720 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.690 24.095 -8.813 1.00 0.00 C ATOM 529 CD2 TYR A 34 -10.979 23.548 -9.401 1.00 0.00 C ATOM 530 CE1 TYR A 34 -8.847 23.434 -7.589 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.135 22.887 -8.176 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.069 22.831 -7.271 1.00 0.00 C ATOM 533 OH TYR A 34 -10.223 22.181 -6.064 1.00 0.00 O ATOM 0 H TYR A 34 -9.388 25.066 -13.771 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.909 23.630 -11.579 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.036 25.796 -10.890 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.563 25.139 -11.442 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.747 24.562 -9.058 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.802 23.593 -10.099 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.025 23.389 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.078 22.421 -7.930 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.944 22.605 -5.554 1.00 0.00 H new ATOM 543 N THR A 35 -9.241 21.575 -12.010 1.00 0.00 N ATOM 544 CA THR A 35 -10.030 20.350 -12.316 1.00 0.00 C ATOM 545 C THR A 35 -10.236 19.535 -11.037 1.00 0.00 C ATOM 546 O THR A 35 -9.298 19.053 -10.436 1.00 0.00 O ATOM 547 CB THR A 35 -9.281 19.501 -13.348 1.00 0.00 C ATOM 548 OG1 THR A 35 -8.864 20.329 -14.425 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.203 18.401 -13.875 1.00 0.00 C ATOM 0 H THR A 35 -8.358 21.415 -11.525 1.00 0.00 H new ATOM 0 HA THR A 35 -11.000 20.640 -12.719 1.00 0.00 H new ATOM 0 HB THR A 35 -8.409 19.045 -12.880 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.383 19.788 -15.086 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.668 17.798 -14.609 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.522 17.767 -13.048 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.077 18.853 -14.344 1.00 0.00 H new ATOM 557 N ARG A 36 -11.463 19.376 -10.623 1.00 0.00 N ATOM 558 CA ARG A 36 -11.742 18.591 -9.388 1.00 0.00 C ATOM 559 C ARG A 36 -13.130 17.958 -9.499 1.00 0.00 C ATOM 560 O ARG A 36 -14.130 18.644 -9.578 1.00 0.00 O ATOM 561 CB ARG A 36 -11.697 19.516 -8.170 1.00 0.00 C ATOM 562 CG ARG A 36 -12.224 18.770 -6.942 1.00 0.00 C ATOM 563 CD ARG A 36 -12.151 19.686 -5.719 1.00 0.00 C ATOM 564 NE ARG A 36 -11.635 18.917 -4.552 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.172 17.770 -4.237 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.464 17.675 -4.081 1.00 0.00 N ATOM 567 NH2 ARG A 36 -11.416 16.717 -4.079 1.00 0.00 N ATOM 0 H ARG A 36 -12.287 19.757 -11.088 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.990 17.810 -9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.675 19.853 -7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.299 20.406 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.253 18.452 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.635 17.869 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.499 20.535 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.138 20.090 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.862 19.287 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.055 18.497 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.883 16.778 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.406 16.791 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.835 15.820 -3.833 1.00 0.00 H new ATOM 581 N PRO A 37 -13.187 16.619 -9.512 1.00 0.00 N ATOM 582 CA PRO A 37 -14.451 15.879 -9.621 1.00 0.00 C ATOM 583 C PRO A 37 -15.309 16.023 -8.361 1.00 0.00 C ATOM 584 O PRO A 37 -14.865 15.758 -7.262 1.00 0.00 O ATOM 585 CB PRO A 37 -14.002 14.426 -9.784 1.00 0.00 C ATOM 586 CG PRO A 37 -12.651 14.379 -9.155 1.00 0.00 C ATOM 587 CD PRO A 37 -12.024 15.719 -9.419 1.00 0.00 C ATOM 0 HA PRO A 37 -15.068 16.245 -10.442 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.692 13.740 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.961 14.139 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.726 14.187 -8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.050 13.576 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.349 16.014 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.441 15.717 -10.340 1.00 0.00 H new ATOM 595 N GLY A 38 -16.536 16.437 -8.514 1.00 0.00 N ATOM 596 CA GLY A 38 -17.422 16.594 -7.327 1.00 0.00 C ATOM 597 C GLY A 38 -17.431 18.059 -6.881 1.00 0.00 C ATOM 598 O GLY A 38 -18.318 18.496 -6.176 1.00 0.00 O ATOM 0 H GLY A 38 -16.963 16.673 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.434 16.272 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.073 15.958 -6.514 1.00 0.00 H new ATOM 602 N ASP A 39 -16.449 18.819 -7.281 1.00 0.00 N ATOM 603 CA ASP A 39 -16.407 20.250 -6.871 1.00 0.00 C ATOM 604 C ASP A 39 -15.869 21.104 -8.022 1.00 0.00 C ATOM 605 O ASP A 39 -15.609 20.617 -9.103 1.00 0.00 O ATOM 606 CB ASP A 39 -15.496 20.403 -5.653 1.00 0.00 C ATOM 607 CG ASP A 39 -16.352 20.612 -4.403 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.535 20.322 -4.465 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.810 21.056 -3.404 1.00 0.00 O ATOM 0 H ASP A 39 -15.676 18.512 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.414 20.582 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.873 19.516 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.823 21.249 -5.792 1.00 0.00 H new ATOM 614 N SER A 40 -15.702 22.379 -7.793 1.00 0.00 N ATOM 615 CA SER A 40 -15.185 23.272 -8.868 1.00 0.00 C ATOM 616 C SER A 40 -14.534 24.504 -8.235 1.00 0.00 C ATOM 617 O SER A 40 -14.748 24.802 -7.077 1.00 0.00 O ATOM 618 CB SER A 40 -16.345 23.713 -9.762 1.00 0.00 C ATOM 619 OG SER A 40 -16.655 22.677 -10.682 1.00 0.00 O ATOM 0 H SER A 40 -15.902 22.841 -6.906 1.00 0.00 H new ATOM 0 HA SER A 40 -14.447 22.736 -9.465 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.219 23.947 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.078 24.623 -10.299 1.00 0.00 H new ATOM 0 HG SER A 40 -16.236 21.842 -10.387 1.00 0.00 H new ATOM 625 N LEU A 41 -13.742 25.225 -8.983 1.00 0.00 N ATOM 626 CA LEU A 41 -13.085 26.437 -8.416 1.00 0.00 C ATOM 627 C LEU A 41 -14.137 27.526 -8.192 1.00 0.00 C ATOM 628 O LEU A 41 -14.905 27.849 -9.076 1.00 0.00 O ATOM 629 CB LEU A 41 -12.026 26.948 -9.393 1.00 0.00 C ATOM 630 CG LEU A 41 -11.537 28.324 -8.942 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.998 28.231 -7.512 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.424 28.803 -9.876 1.00 0.00 C ATOM 0 H LEU A 41 -13.522 25.027 -9.959 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.612 26.184 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.190 26.250 -9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.443 27.010 -10.398 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.366 29.031 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.649 29.212 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.791 27.891 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.170 27.523 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.076 29.784 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.595 28.096 -9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.807 28.870 -10.894 1.00 0.00 H new ATOM 644 N ALA A 42 -14.182 28.092 -7.017 1.00 0.00 N ATOM 645 CA ALA A 42 -15.192 29.154 -6.741 1.00 0.00 C ATOM 646 C ALA A 42 -14.486 30.476 -6.443 1.00 0.00 C ATOM 647 O ALA A 42 -14.898 31.526 -6.896 1.00 0.00 O ATOM 648 CB ALA A 42 -16.030 28.754 -5.527 1.00 0.00 C ATOM 0 H ALA A 42 -13.565 27.866 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.834 29.272 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.769 29.529 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.539 27.812 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.381 28.635 -4.660 1.00 0.00 H new ATOM 654 N GLU A 43 -13.432 30.439 -5.676 1.00 0.00 N ATOM 655 CA GLU A 43 -12.716 31.703 -5.346 1.00 0.00 C ATOM 656 C GLU A 43 -11.203 31.477 -5.376 1.00 0.00 C ATOM 657 O GLU A 43 -10.713 30.409 -5.067 1.00 0.00 O ATOM 658 CB GLU A 43 -13.131 32.172 -3.951 1.00 0.00 C ATOM 659 CG GLU A 43 -14.628 32.490 -3.942 1.00 0.00 C ATOM 660 CD GLU A 43 -14.989 33.210 -2.642 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.140 33.276 -1.768 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.109 33.685 -2.541 1.00 0.00 O ATOM 0 H GLU A 43 -13.037 29.593 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.976 32.461 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.908 31.399 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.559 33.056 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.883 33.114 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.206 31.571 -4.034 1.00 0.00 H new ATOM 669 N VAL A 44 -10.461 32.486 -5.748 1.00 0.00 N ATOM 670 CA VAL A 44 -8.979 32.355 -5.803 1.00 0.00 C ATOM 671 C VAL A 44 -8.346 33.632 -5.247 1.00 0.00 C ATOM 672 O VAL A 44 -8.778 34.726 -5.554 1.00 0.00 O ATOM 673 CB VAL A 44 -8.541 32.173 -7.258 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.080 31.720 -7.298 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.421 31.117 -7.928 1.00 0.00 C ATOM 0 H VAL A 44 -10.822 33.401 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.663 31.494 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.643 33.120 -7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.768 31.590 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.452 32.473 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.978 30.774 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.109 30.988 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.321 30.170 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.462 31.440 -7.900 1.00 0.00 H new ATOM 685 N GLU A 45 -7.326 33.518 -4.441 1.00 0.00 N ATOM 686 CA GLU A 45 -6.693 34.752 -3.896 1.00 0.00 C ATOM 687 C GLU A 45 -5.184 34.708 -4.148 1.00 0.00 C ATOM 688 O GLU A 45 -4.579 33.656 -4.196 1.00 0.00 O ATOM 689 CB GLU A 45 -6.974 34.867 -2.397 1.00 0.00 C ATOM 690 CG GLU A 45 -8.453 35.200 -2.181 1.00 0.00 C ATOM 691 CD GLU A 45 -8.847 34.863 -0.742 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.956 34.625 0.056 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.035 34.849 -0.462 1.00 0.00 O ATOM 0 H GLU A 45 -6.908 32.637 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.114 35.624 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.723 33.932 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.347 35.642 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.632 36.257 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.070 34.635 -2.880 1.00 0.00 H new ATOM 700 N LEU A 46 -4.577 35.851 -4.323 1.00 0.00 N ATOM 701 CA LEU A 46 -3.112 35.894 -4.590 1.00 0.00 C ATOM 702 C LEU A 46 -2.406 36.700 -3.499 1.00 0.00 C ATOM 703 O LEU A 46 -2.812 37.796 -3.164 1.00 0.00 O ATOM 704 CB LEU A 46 -2.876 36.566 -5.945 1.00 0.00 C ATOM 705 CG LEU A 46 -1.400 36.945 -6.085 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.528 35.729 -5.768 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.128 37.404 -7.517 1.00 0.00 C ATOM 0 H LEU A 46 -5.036 36.761 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.714 34.879 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.166 35.892 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.499 37.456 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.165 37.752 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.523 35.999 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.722 35.398 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.763 34.922 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.077 37.675 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.363 36.596 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.749 38.270 -7.746 1.00 0.00 H new ATOM 719 N ARG A 47 -1.347 36.175 -2.949 1.00 0.00 N ATOM 720 CA ARG A 47 -0.613 36.922 -1.889 1.00 0.00 C ATOM 721 C ARG A 47 0.825 37.167 -2.354 1.00 0.00 C ATOM 722 O ARG A 47 1.497 36.273 -2.828 1.00 0.00 O ATOM 723 CB ARG A 47 -0.606 36.108 -0.594 1.00 0.00 C ATOM 724 CG ARG A 47 0.387 36.724 0.391 1.00 0.00 C ATOM 725 CD ARG A 47 0.251 36.035 1.750 1.00 0.00 C ATOM 726 NE ARG A 47 1.031 34.765 1.743 1.00 0.00 N ATOM 727 CZ ARG A 47 1.783 34.456 2.763 1.00 0.00 C ATOM 728 NH1 ARG A 47 2.819 35.192 3.056 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.499 33.410 3.491 1.00 0.00 N ATOM 0 H ARG A 47 -0.958 35.263 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.106 37.877 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.605 36.091 -0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.332 35.074 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.404 36.613 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.199 37.793 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.613 36.692 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.798 35.829 1.962 1.00 0.00 H new ATOM 0 HE ARG A 47 0.977 34.138 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.041 36.009 2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.407 34.950 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.689 32.834 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.087 33.169 4.289 1.00 0.00 H new ATOM 743 N GLN A 48 1.298 38.379 -2.229 1.00 0.00 N ATOM 744 CA GLN A 48 2.688 38.690 -2.671 1.00 0.00 C ATOM 745 C GLN A 48 3.691 38.069 -1.697 1.00 0.00 C ATOM 746 O GLN A 48 3.422 37.916 -0.522 1.00 0.00 O ATOM 747 CB GLN A 48 2.880 40.207 -2.709 1.00 0.00 C ATOM 748 CG GLN A 48 1.830 40.830 -3.632 1.00 0.00 C ATOM 749 CD GLN A 48 2.298 42.218 -4.074 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.541 42.927 -4.868 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.363 42.664 -3.692 1.00 0.00 N flip ATOM 0 H GLN A 48 0.781 39.167 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 48 2.853 38.277 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.789 40.621 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.882 40.449 -3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.672 40.193 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.874 40.905 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.955 42.111 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.665 43.591 -3.992 1.00 0.00 H new ATOM 760 N HIS A 49 4.849 37.709 -2.181 1.00 0.00 N ATOM 761 CA HIS A 49 5.873 37.094 -1.289 1.00 0.00 C ATOM 762 C HIS A 49 6.390 38.139 -0.298 1.00 0.00 C ATOM 763 O HIS A 49 7.030 39.101 -0.671 1.00 0.00 O ATOM 764 CB HIS A 49 7.042 36.578 -2.131 1.00 0.00 C ATOM 765 CG HIS A 49 7.647 35.374 -1.462 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.892 35.149 -0.928 1.00 0.00 N flip ATOM 767 CD2 HIS A 49 6.938 34.198 -1.274 1.00 0.00 C flip ATOM 768 CE1 HIS A 49 8.957 33.857 -0.417 1.00 0.00 C flip ATOM 769 NE2 HIS A 49 7.754 33.327 -0.651 1.00 0.00 N flip ATOM 0 H HIS A 49 5.130 37.814 -3.156 1.00 0.00 H new ATOM 0 HA HIS A 49 5.420 36.267 -0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.697 36.317 -3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.793 37.359 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.917 34.014 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.800 33.384 0.065 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.486 32.378 -0.390 1.00 0.00 H new ATOM 777 N GLY A 50 6.118 37.954 0.966 1.00 0.00 N ATOM 778 CA GLY A 50 6.597 38.935 1.980 1.00 0.00 C ATOM 779 C GLY A 50 5.404 39.688 2.571 1.00 0.00 C ATOM 780 O GLY A 50 5.559 40.570 3.392 1.00 0.00 O ATOM 0 H GLY A 50 5.586 37.168 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.142 38.419 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.292 39.638 1.520 1.00 0.00 H new ATOM 784 N SER A 51 4.213 39.346 2.163 1.00 0.00 N ATOM 785 CA SER A 51 3.012 40.043 2.704 1.00 0.00 C ATOM 786 C SER A 51 2.166 39.051 3.504 1.00 0.00 C ATOM 787 O SER A 51 2.212 37.858 3.280 1.00 0.00 O ATOM 788 CB SER A 51 2.185 40.605 1.547 1.00 0.00 C ATOM 789 OG SER A 51 1.108 41.373 2.065 1.00 0.00 O ATOM 0 H SER A 51 4.019 38.615 1.479 1.00 0.00 H new ATOM 0 HA SER A 51 3.326 40.859 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.812 41.224 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.802 39.792 0.930 1.00 0.00 H new ATOM 0 HG SER A 51 0.578 41.735 1.324 1.00 0.00 H new ATOM 795 N GLU A 52 1.391 39.535 4.436 1.00 0.00 N ATOM 796 CA GLU A 52 0.541 38.619 5.247 1.00 0.00 C ATOM 797 C GLU A 52 -0.929 38.848 4.893 1.00 0.00 C ATOM 798 O GLU A 52 -1.822 38.434 5.607 1.00 0.00 O ATOM 799 CB GLU A 52 0.758 38.906 6.734 1.00 0.00 C ATOM 800 CG GLU A 52 2.182 38.510 7.129 1.00 0.00 C ATOM 801 CD GLU A 52 2.369 37.005 6.921 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.371 36.313 6.815 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.508 36.571 6.874 1.00 0.00 O ATOM 0 H GLU A 52 1.310 40.524 4.670 1.00 0.00 H new ATOM 0 HA GLU A 52 0.811 37.585 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.594 39.964 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.036 38.350 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.904 39.063 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.367 38.770 8.171 1.00 0.00 H new ATOM 810 N GLU A 53 -1.188 39.507 3.797 1.00 0.00 N ATOM 811 CA GLU A 53 -2.600 39.766 3.398 1.00 0.00 C ATOM 812 C GLU A 53 -2.857 39.173 2.009 1.00 0.00 C ATOM 813 O GLU A 53 -2.205 39.522 1.045 1.00 0.00 O ATOM 814 CB GLU A 53 -2.850 41.275 3.364 1.00 0.00 C ATOM 815 CG GLU A 53 -2.289 41.912 4.636 1.00 0.00 C ATOM 816 CD GLU A 53 -2.508 43.425 4.590 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.352 43.858 3.822 1.00 0.00 O ATOM 818 OE2 GLU A 53 -1.830 44.125 5.323 1.00 0.00 O ATOM 0 H GLU A 53 -0.482 39.877 3.160 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.273 39.302 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.377 41.713 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.918 41.476 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.779 41.490 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.226 41.691 4.727 1.00 0.00 H new ATOM 825 N TRP A 54 -3.802 38.282 1.903 1.00 0.00 N ATOM 826 CA TRP A 54 -4.105 37.666 0.581 1.00 0.00 C ATOM 827 C TRP A 54 -5.038 38.585 -0.210 1.00 0.00 C ATOM 828 O TRP A 54 -6.025 39.075 0.300 1.00 0.00 O ATOM 829 CB TRP A 54 -4.785 36.312 0.792 1.00 0.00 C ATOM 830 CG TRP A 54 -3.754 35.282 1.121 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.191 35.104 2.339 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.154 34.287 0.243 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.284 34.063 2.263 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.225 33.527 0.992 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.325 33.973 -1.116 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.490 32.493 0.411 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.587 32.933 -1.704 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.672 32.194 -0.941 1.00 0.00 C ATOM 0 H TRP A 54 -4.379 37.953 2.677 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.177 37.525 0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.515 36.382 1.598 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.330 36.023 -0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.414 35.680 3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.726 33.731 3.050 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.029 34.535 -1.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.785 31.928 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.725 32.701 -2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.108 31.394 -1.398 1.00 0.00 H new ATOM 849 N GLU A 55 -4.729 38.822 -1.456 1.00 0.00 N ATOM 850 CA GLU A 55 -5.594 39.708 -2.286 1.00 0.00 C ATOM 851 C GLU A 55 -6.488 38.851 -3.182 1.00 0.00 C ATOM 852 O GLU A 55 -6.042 37.898 -3.790 1.00 0.00 O ATOM 853 CB GLU A 55 -4.716 40.609 -3.156 1.00 0.00 C ATOM 854 CG GLU A 55 -5.247 42.043 -3.101 1.00 0.00 C ATOM 855 CD GLU A 55 -4.164 42.968 -2.544 1.00 0.00 C ATOM 856 OE1 GLU A 55 -3.335 42.489 -1.788 1.00 0.00 O ATOM 857 OE2 GLU A 55 -4.182 44.141 -2.882 1.00 0.00 O ATOM 0 H GLU A 55 -3.914 38.440 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.214 40.324 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.684 40.578 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.714 40.249 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.543 42.371 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.137 42.089 -2.473 1.00 0.00 H new ATOM 864 N PRO A 56 -7.781 39.200 -3.260 1.00 0.00 N ATOM 865 CA PRO A 56 -8.750 38.465 -4.080 1.00 0.00 C ATOM 866 C PRO A 56 -8.518 38.687 -5.578 1.00 0.00 C ATOM 867 O PRO A 56 -8.061 39.732 -5.995 1.00 0.00 O ATOM 868 CB PRO A 56 -10.094 39.068 -3.670 1.00 0.00 C ATOM 869 CG PRO A 56 -9.759 40.436 -3.178 1.00 0.00 C ATOM 870 CD PRO A 56 -8.395 40.338 -2.554 1.00 0.00 C ATOM 0 HA PRO A 56 -8.681 37.388 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.784 39.108 -4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.574 38.474 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.761 41.155 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.495 40.779 -2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.822 41.255 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.456 40.160 -1.480 1.00 0.00 H new ATOM 878 N LEU A 57 -8.835 37.717 -6.389 1.00 0.00 N ATOM 879 CA LEU A 57 -8.637 37.880 -7.857 1.00 0.00 C ATOM 880 C LEU A 57 -10.001 38.024 -8.532 1.00 0.00 C ATOM 881 O LEU A 57 -10.942 37.333 -8.196 1.00 0.00 O ATOM 882 CB LEU A 57 -7.926 36.646 -8.418 1.00 0.00 C ATOM 883 CG LEU A 57 -6.427 36.750 -8.135 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.135 36.207 -6.736 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.654 35.932 -9.172 1.00 0.00 C ATOM 0 H LEU A 57 -9.222 36.819 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.032 38.766 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.331 35.742 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.100 36.569 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.117 37.794 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.067 36.280 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.686 36.789 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.444 35.163 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.585 36.006 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.963 34.888 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.863 36.319 -10.170 1.00 0.00 H new ATOM 897 N THR A 58 -10.124 38.911 -9.480 1.00 0.00 N ATOM 898 CA THR A 58 -11.438 39.074 -10.161 1.00 0.00 C ATOM 899 C THR A 58 -11.492 38.139 -11.370 1.00 0.00 C ATOM 900 O THR A 58 -10.603 38.137 -12.201 1.00 0.00 O ATOM 901 CB THR A 58 -11.610 40.525 -10.618 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.338 41.397 -9.529 1.00 0.00 O ATOM 903 CG2 THR A 58 -13.043 40.744 -11.104 1.00 0.00 C ATOM 0 H THR A 58 -9.379 39.525 -9.810 1.00 0.00 H new ATOM 0 HA THR A 58 -12.243 38.825 -9.469 1.00 0.00 H new ATOM 0 HB THR A 58 -10.918 40.734 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.446 42.327 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.163 41.778 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.250 40.075 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.739 40.536 -10.291 1.00 0.00 H new ATOM 911 N LYS A 59 -12.516 37.337 -11.471 1.00 0.00 N ATOM 912 CA LYS A 59 -12.605 36.400 -12.626 1.00 0.00 C ATOM 913 C LYS A 59 -12.984 37.184 -13.884 1.00 0.00 C ATOM 914 O LYS A 59 -14.116 37.595 -14.049 1.00 0.00 O ATOM 915 CB LYS A 59 -13.672 35.340 -12.344 1.00 0.00 C ATOM 916 CG LYS A 59 -13.483 34.160 -13.298 1.00 0.00 C ATOM 917 CD LYS A 59 -14.422 33.022 -12.894 1.00 0.00 C ATOM 918 CE LYS A 59 -14.133 31.792 -13.757 1.00 0.00 C ATOM 919 NZ LYS A 59 -15.417 31.201 -14.228 1.00 0.00 N ATOM 0 H LYS A 59 -13.290 37.290 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.642 35.912 -12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.599 35.001 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.667 35.767 -12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.690 34.470 -14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.448 33.819 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.285 32.780 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.460 33.331 -13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.514 32.071 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.571 31.056 -13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.220 30.365 -14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.992 30.921 -13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.937 31.904 -14.791 1.00 0.00 H new ATOM 933 N LYS A 60 -12.054 37.402 -14.772 1.00 0.00 N ATOM 934 CA LYS A 60 -12.379 38.165 -16.008 1.00 0.00 C ATOM 935 C LYS A 60 -12.394 37.215 -17.207 1.00 0.00 C ATOM 936 O LYS A 60 -11.371 36.711 -17.623 1.00 0.00 O ATOM 937 CB LYS A 60 -11.327 39.253 -16.225 1.00 0.00 C ATOM 938 CG LYS A 60 -11.452 40.306 -15.121 1.00 0.00 C ATOM 939 CD LYS A 60 -11.153 41.691 -15.698 1.00 0.00 C ATOM 940 CE LYS A 60 -11.564 42.764 -14.687 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.481 43.780 -14.570 1.00 0.00 N ATOM 0 H LYS A 60 -11.087 37.086 -14.695 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.361 38.627 -15.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.328 38.816 -16.215 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.463 39.716 -17.202 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.456 40.286 -14.697 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.759 40.081 -14.310 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.091 41.780 -15.927 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.694 41.831 -16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.491 43.241 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.756 42.308 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.747 44.490 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.597 43.314 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.342 44.247 -15.489 1.00 0.00 H new ATOM 955 N GLY A 61 -13.547 36.964 -17.765 1.00 0.00 N ATOM 956 CA GLY A 61 -13.622 36.045 -18.935 1.00 0.00 C ATOM 957 C GLY A 61 -13.192 34.640 -18.505 1.00 0.00 C ATOM 958 O GLY A 61 -13.904 33.952 -17.800 1.00 0.00 O ATOM 0 H GLY A 61 -14.439 37.355 -17.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.638 36.022 -19.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.977 36.405 -19.737 1.00 0.00 H new ATOM 962 N ASN A 62 -12.032 34.211 -18.920 1.00 0.00 N ATOM 963 CA ASN A 62 -11.557 32.853 -18.530 1.00 0.00 C ATOM 964 C ASN A 62 -10.220 32.975 -17.797 1.00 0.00 C ATOM 965 O ASN A 62 -9.496 32.011 -17.639 1.00 0.00 O ATOM 966 CB ASN A 62 -11.378 31.993 -19.784 1.00 0.00 C ATOM 967 CG ASN A 62 -10.449 32.707 -20.767 1.00 0.00 C ATOM 968 OD1 ASN A 62 -10.025 33.819 -20.523 1.00 0.00 O ATOM 969 ND2 ASN A 62 -10.111 32.109 -21.877 1.00 0.00 N ATOM 0 H ASN A 62 -11.393 34.741 -19.512 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.291 32.385 -17.874 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.962 31.022 -19.515 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.345 31.807 -20.251 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.491 32.575 -22.539 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.467 31.175 -22.082 1.00 0.00 H new ATOM 976 N VAL A 63 -9.884 34.154 -17.347 1.00 0.00 N ATOM 977 CA VAL A 63 -8.594 34.338 -16.625 1.00 0.00 C ATOM 978 C VAL A 63 -8.840 35.126 -15.336 1.00 0.00 C ATOM 979 O VAL A 63 -9.909 35.660 -15.118 1.00 0.00 O ATOM 980 CB VAL A 63 -7.618 35.110 -17.516 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.263 34.262 -18.739 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.269 36.417 -17.975 1.00 0.00 C ATOM 0 H VAL A 63 -10.448 34.998 -17.449 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.171 33.364 -16.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.712 35.333 -16.952 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.568 34.812 -19.374 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.799 33.331 -18.414 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.169 34.038 -19.302 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.574 36.967 -18.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.175 36.194 -18.538 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.522 37.023 -17.105 1.00 0.00 H new ATOM 992 N TRP A 64 -7.856 35.209 -14.481 1.00 0.00 N ATOM 993 CA TRP A 64 -8.034 35.969 -13.211 1.00 0.00 C ATOM 994 C TRP A 64 -7.079 37.163 -13.201 1.00 0.00 C ATOM 995 O TRP A 64 -5.961 37.078 -13.674 1.00 0.00 O ATOM 996 CB TRP A 64 -7.734 35.057 -12.020 1.00 0.00 C ATOM 997 CG TRP A 64 -8.743 33.954 -11.974 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.788 32.908 -12.830 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.851 33.772 -11.044 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -9.853 32.095 -12.485 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.539 32.585 -11.391 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.322 34.513 -9.945 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.654 32.148 -10.674 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.443 34.077 -9.221 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.107 32.897 -9.584 1.00 0.00 C ATOM 0 H TRP A 64 -6.938 34.784 -14.607 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.062 36.324 -13.138 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.730 34.643 -12.109 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.762 35.630 -11.093 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.105 32.736 -13.648 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.101 31.238 -12.979 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.818 35.423 -9.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.163 31.239 -10.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.796 34.654 -8.379 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.968 32.567 -9.022 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.506 38.278 -12.673 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.617 39.474 -12.645 1.00 0.00 C ATOM 1018 C GLU A 65 -6.454 39.969 -11.206 1.00 0.00 C ATOM 1019 O GLU A 65 -7.405 40.050 -10.454 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.233 40.587 -13.495 1.00 0.00 C ATOM 1021 CG GLU A 65 -6.304 41.804 -13.488 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.857 42.873 -14.432 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.031 42.802 -14.754 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -6.096 43.747 -14.816 1.00 0.00 O ATOM 0 H GLU A 65 -8.429 38.412 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.640 39.202 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.386 40.238 -14.516 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.212 40.861 -13.102 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.219 42.204 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.301 41.511 -13.800 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.253 40.309 -10.822 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.023 40.809 -9.438 1.00 0.00 C ATOM 1033 C VAL A 66 -4.201 42.098 -9.501 1.00 0.00 C ATOM 1034 O VAL A 66 -3.180 42.160 -10.154 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.257 39.758 -8.632 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.890 39.519 -9.274 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.065 40.255 -7.197 1.00 0.00 C ATOM 0 H VAL A 66 -4.420 40.262 -11.409 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.981 41.004 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.822 38.826 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.344 38.770 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.025 39.165 -10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.325 40.451 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.519 39.506 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.500 41.187 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.039 40.426 -6.738 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.635 43.127 -8.829 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.870 44.405 -8.860 1.00 0.00 C ATOM 1049 C LYS A 67 -3.451 44.786 -7.439 1.00 0.00 C ATOM 1050 O LYS A 67 -4.242 44.760 -6.516 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.738 45.513 -9.457 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.298 45.052 -10.805 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.129 46.178 -11.423 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.826 45.666 -12.685 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.557 46.601 -13.814 1.00 0.00 N ATOM 0 H LYS A 67 -5.483 43.139 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.980 44.277 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.554 45.757 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.149 46.421 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.483 44.777 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.914 44.163 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.868 46.534 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.488 47.025 -11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.467 44.667 -12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.899 45.585 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.405 46.677 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.314 47.539 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.764 46.240 -14.382 1.00 0.00 H new ATOM 1069 N SER A 68 -2.208 45.137 -7.260 1.00 0.00 N ATOM 1070 CA SER A 68 -1.716 45.519 -5.909 1.00 0.00 C ATOM 1071 C SER A 68 -1.229 46.966 -5.942 1.00 0.00 C ATOM 1072 O SER A 68 -0.690 47.425 -6.930 1.00 0.00 O ATOM 1073 CB SER A 68 -0.552 44.606 -5.519 1.00 0.00 C ATOM 1074 OG SER A 68 -0.294 44.733 -4.129 1.00 0.00 O ATOM 0 H SER A 68 -1.506 45.176 -7.999 1.00 0.00 H new ATOM 0 HA SER A 68 -2.522 45.418 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.791 43.571 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.338 44.870 -6.090 1.00 0.00 H new ATOM 0 HG SER A 68 0.436 44.130 -3.875 1.00 0.00 H new ATOM 1080 N SER A 69 -1.406 47.691 -4.874 1.00 0.00 N ATOM 1081 CA SER A 69 -0.943 49.105 -4.859 1.00 0.00 C ATOM 1082 C SER A 69 0.585 49.134 -4.932 1.00 0.00 C ATOM 1083 O SER A 69 1.188 50.168 -5.137 1.00 0.00 O ATOM 1084 CB SER A 69 -1.409 49.784 -3.569 1.00 0.00 C ATOM 1085 OG SER A 69 -2.827 49.747 -3.501 1.00 0.00 O ATOM 0 H SER A 69 -1.849 47.367 -4.014 1.00 0.00 H new ATOM 0 HA SER A 69 -1.360 49.636 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.979 49.279 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.060 50.816 -3.542 1.00 0.00 H new ATOM 0 HG SER A 69 -3.126 50.180 -2.674 1.00 0.00 H new ATOM 1091 N LYS A 70 1.213 48.003 -4.765 1.00 0.00 N ATOM 1092 CA LYS A 70 2.701 47.954 -4.824 1.00 0.00 C ATOM 1093 C LYS A 70 3.131 46.952 -5.896 1.00 0.00 C ATOM 1094 O LYS A 70 2.310 46.292 -6.503 1.00 0.00 O ATOM 1095 CB LYS A 70 3.245 47.514 -3.464 1.00 0.00 C ATOM 1096 CG LYS A 70 3.934 48.699 -2.785 1.00 0.00 C ATOM 1097 CD LYS A 70 2.988 49.317 -1.754 1.00 0.00 C ATOM 1098 CE LYS A 70 2.652 48.277 -0.683 1.00 0.00 C ATOM 1099 NZ LYS A 70 1.175 48.226 -0.488 1.00 0.00 N ATOM 0 H LYS A 70 0.758 47.107 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 70 3.093 48.941 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.433 47.144 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.950 46.693 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.853 48.370 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.216 49.444 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.453 50.190 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.076 49.661 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.024 47.297 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.145 48.532 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.945 47.519 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.832 49.160 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.716 47.963 -1.383 1.00 0.00 H new ATOM 1113 N PRO A 71 4.448 46.834 -6.133 1.00 0.00 N ATOM 1114 CA PRO A 71 4.988 45.909 -7.137 1.00 0.00 C ATOM 1115 C PRO A 71 4.819 44.449 -6.708 1.00 0.00 C ATOM 1116 O PRO A 71 4.674 44.147 -5.539 1.00 0.00 O ATOM 1117 CB PRO A 71 6.472 46.272 -7.197 1.00 0.00 C ATOM 1118 CG PRO A 71 6.763 46.877 -5.865 1.00 0.00 C ATOM 1119 CD PRO A 71 5.509 47.592 -5.447 1.00 0.00 C ATOM 0 HA PRO A 71 4.477 45.998 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.089 45.391 -7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.676 46.974 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.034 46.110 -5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.603 47.568 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.379 47.578 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.520 48.638 -5.754 1.00 0.00 H new ATOM 1127 N LEU A 72 4.830 43.541 -7.644 1.00 0.00 N ATOM 1128 CA LEU A 72 4.662 42.103 -7.292 1.00 0.00 C ATOM 1129 C LEU A 72 6.023 41.487 -6.967 1.00 0.00 C ATOM 1130 O LEU A 72 7.011 41.747 -7.627 1.00 0.00 O ATOM 1131 CB LEU A 72 4.030 41.363 -8.471 1.00 0.00 C ATOM 1132 CG LEU A 72 2.770 42.106 -8.921 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.556 41.888 -10.420 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.561 41.572 -8.150 1.00 0.00 C ATOM 0 H LEU A 72 4.948 43.733 -8.639 1.00 0.00 H new ATOM 0 HA LEU A 72 4.015 42.017 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.740 41.296 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.780 40.342 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 72 2.886 43.171 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.659 42.417 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.417 42.268 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.440 40.823 -10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.663 42.101 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.445 40.506 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.713 41.728 -7.082 1.00 0.00 H new ATOM 1146 N VAL A 73 6.078 40.671 -5.951 1.00 0.00 N ATOM 1147 CA VAL A 73 7.366 40.029 -5.569 1.00 0.00 C ATOM 1148 C VAL A 73 7.187 38.510 -5.536 1.00 0.00 C ATOM 1149 O VAL A 73 6.317 37.994 -4.862 1.00 0.00 O ATOM 1150 CB VAL A 73 7.787 40.521 -4.183 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.101 39.850 -3.782 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.979 42.039 -4.218 1.00 0.00 C ATOM 0 H VAL A 73 5.281 40.420 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 73 8.134 40.290 -6.298 1.00 0.00 H new ATOM 0 HB VAL A 73 7.014 40.269 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.402 40.200 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.965 38.769 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.874 40.102 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.279 42.391 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.752 42.291 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.043 42.518 -4.505 1.00 0.00 H new ATOM 1162 N GLY A 74 8.001 37.792 -6.256 1.00 0.00 N ATOM 1163 CA GLY A 74 7.875 36.306 -6.264 1.00 0.00 C ATOM 1164 C GLY A 74 8.825 35.708 -5.224 1.00 0.00 C ATOM 1165 O GLY A 74 9.719 36.369 -4.734 1.00 0.00 O ATOM 0 H GLY A 74 8.748 38.168 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.848 36.016 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.110 35.916 -7.254 1.00 0.00 H new ATOM 1169 N PRO A 75 8.621 34.427 -4.881 1.00 0.00 N ATOM 1170 CA PRO A 75 7.548 33.610 -5.462 1.00 0.00 C ATOM 1171 C PRO A 75 6.163 34.081 -5.005 1.00 0.00 C ATOM 1172 O PRO A 75 5.985 34.558 -3.903 1.00 0.00 O ATOM 1173 CB PRO A 75 7.836 32.208 -4.932 1.00 0.00 C ATOM 1174 CG PRO A 75 8.605 32.432 -3.674 1.00 0.00 C ATOM 1175 CD PRO A 75 9.422 33.674 -3.900 1.00 0.00 C ATOM 0 HA PRO A 75 7.532 33.667 -6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.914 31.659 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.412 31.623 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.934 32.556 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.246 31.579 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.563 34.237 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.414 33.439 -4.285 1.00 0.00 H new ATOM 1183 N PHE A 76 5.186 33.960 -5.862 1.00 0.00 N ATOM 1184 CA PHE A 76 3.810 34.411 -5.510 1.00 0.00 C ATOM 1185 C PHE A 76 3.012 33.264 -4.887 1.00 0.00 C ATOM 1186 O PHE A 76 3.243 32.103 -5.169 1.00 0.00 O ATOM 1187 CB PHE A 76 3.103 34.875 -6.783 1.00 0.00 C ATOM 1188 CG PHE A 76 3.849 36.052 -7.364 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.833 37.286 -6.702 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.560 35.909 -8.561 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.527 38.377 -7.238 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.253 37.000 -9.098 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.236 38.234 -8.437 1.00 0.00 C ATOM 0 H PHE A 76 5.283 33.565 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 76 3.876 35.226 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.062 34.062 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.074 35.156 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.285 37.396 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.574 34.957 -9.070 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.516 39.328 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.801 36.890 -10.022 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.770 39.076 -8.852 1.00 0.00 H new ATOM 1203 N ASN A 77 2.060 33.587 -4.053 1.00 0.00 N ATOM 1204 CA ASN A 77 1.226 32.528 -3.418 1.00 0.00 C ATOM 1205 C ASN A 77 -0.205 32.643 -3.951 1.00 0.00 C ATOM 1206 O ASN A 77 -0.712 33.728 -4.152 1.00 0.00 O ATOM 1207 CB ASN A 77 1.224 32.718 -1.901 1.00 0.00 C ATOM 1208 CG ASN A 77 2.664 32.828 -1.397 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.385 31.851 -1.364 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.117 33.987 -1.003 1.00 0.00 N ATOM 0 H ASN A 77 1.824 34.542 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 77 1.632 31.544 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.666 33.616 -1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.722 31.878 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.076 34.072 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.512 34.807 -1.031 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.861 31.539 -4.183 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.257 31.603 -4.705 1.00 0.00 C ATOM 1219 C PHE A 78 -3.142 30.620 -3.929 1.00 0.00 C ATOM 1220 O PHE A 78 -2.882 29.433 -3.899 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.262 31.222 -6.188 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.601 32.309 -7.003 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -2.351 33.408 -7.443 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -0.242 32.216 -7.327 1.00 0.00 C ATOM 1225 CE1 PHE A 78 -1.741 34.412 -8.205 1.00 0.00 C ATOM 1226 CE2 PHE A 78 0.368 33.221 -8.089 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.381 34.319 -8.529 1.00 0.00 C ATOM 0 H PHE A 78 -0.493 30.599 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.643 32.615 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.736 30.278 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.286 31.072 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.399 33.481 -7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.336 31.369 -6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.319 35.259 -8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.417 33.149 -8.337 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.089 35.093 -9.117 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.192 31.096 -3.309 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.086 30.171 -2.551 1.00 0.00 C ATOM 1239 C ARG A 79 -6.364 29.934 -3.358 1.00 0.00 C ATOM 1240 O ARG A 79 -6.855 30.816 -4.035 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.431 30.777 -1.189 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.046 29.700 -0.294 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.189 30.240 1.131 1.00 0.00 C ATOM 1244 NE ARG A 79 -6.820 29.201 1.993 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.151 29.486 3.223 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.718 30.629 3.498 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -6.915 28.627 4.177 1.00 0.00 N ATOM 0 H ARG A 79 -4.467 32.078 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.576 29.221 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.534 31.184 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.130 31.604 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.021 29.403 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.418 28.809 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.211 30.513 1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.796 31.145 1.130 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.993 28.267 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.902 31.299 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.977 30.852 4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.472 27.734 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.173 28.849 5.138 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.891 28.738 -3.318 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.115 28.433 -4.114 1.00 0.00 C ATOM 1263 C PHE A 80 -9.230 27.869 -3.230 1.00 0.00 C ATOM 1264 O PHE A 80 -8.991 27.100 -2.323 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.764 27.375 -5.154 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.144 28.039 -6.357 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.930 28.723 -6.226 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.779 27.972 -7.603 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.350 29.340 -7.339 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.199 28.591 -8.717 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.984 29.275 -8.584 1.00 0.00 C ATOM 0 H PHE A 80 -6.526 27.960 -2.768 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.462 29.357 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.072 26.648 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.660 26.828 -5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.441 28.774 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.715 27.443 -7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.413 29.867 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.688 28.541 -9.678 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.537 29.752 -9.443 1.00 0.00 H new ATOM 1281 N MET A 81 -10.454 28.224 -3.513 1.00 0.00 N ATOM 1282 CA MET A 81 -11.593 27.683 -2.718 1.00 0.00 C ATOM 1283 C MET A 81 -12.590 27.034 -3.685 1.00 0.00 C ATOM 1284 O MET A 81 -13.033 27.644 -4.637 1.00 0.00 O ATOM 1285 CB MET A 81 -12.269 28.809 -1.931 1.00 0.00 C ATOM 1286 CG MET A 81 -13.590 28.302 -1.348 1.00 0.00 C ATOM 1287 SD MET A 81 -14.169 29.455 -0.079 1.00 0.00 S ATOM 1288 CE MET A 81 -14.684 28.216 1.134 1.00 0.00 C ATOM 0 H MET A 81 -10.714 28.866 -4.261 1.00 0.00 H new ATOM 0 HA MET A 81 -11.233 26.942 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.614 29.152 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.451 29.664 -2.582 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.336 28.208 -2.137 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.453 27.310 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.441 28.566 2.137 1.00 0.00 H new ATOM 0 HE2 MET A 81 -15.759 28.056 1.056 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.162 27.279 0.941 1.00 0.00 H new ATOM 1298 N SER A 82 -12.919 25.787 -3.463 1.00 0.00 N ATOM 1299 CA SER A 82 -13.855 25.087 -4.388 1.00 0.00 C ATOM 1300 C SER A 82 -15.285 25.590 -4.176 1.00 0.00 C ATOM 1301 O SER A 82 -15.675 25.917 -3.071 1.00 0.00 O ATOM 1302 CB SER A 82 -13.812 23.586 -4.106 1.00 0.00 C ATOM 1303 OG SER A 82 -14.650 23.291 -2.998 1.00 0.00 O ATOM 0 H SER A 82 -12.580 25.226 -2.682 1.00 0.00 H new ATOM 0 HA SER A 82 -13.552 25.288 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.142 23.030 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.789 23.273 -3.896 1.00 0.00 H new ATOM 0 HG SER A 82 -15.354 22.668 -3.277 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.073 25.631 -5.217 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.484 26.093 -5.065 1.00 0.00 C ATOM 1311 C LYS A 83 -18.137 25.338 -3.904 1.00 0.00 C ATOM 1312 O LYS A 83 -18.815 25.913 -3.077 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.259 25.813 -6.355 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.702 26.679 -7.488 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.692 26.690 -8.654 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.207 27.669 -9.724 1.00 0.00 C ATOM 1317 NZ LYS A 83 -17.296 26.961 -10.668 1.00 0.00 N ATOM 0 H LYS A 83 -15.802 25.365 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.498 27.164 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.179 24.758 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.318 26.026 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.530 27.695 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.739 26.290 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.784 25.689 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.682 26.980 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.057 28.084 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.687 28.506 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.275 27.468 -11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.337 26.929 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.640 25.991 -10.821 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.936 24.048 -3.840 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.543 23.243 -2.738 1.00 0.00 C ATOM 1333 C GLY A 84 -18.128 23.816 -1.378 1.00 0.00 C ATOM 1334 O GLY A 84 -18.578 23.364 -0.344 1.00 0.00 O ATOM 0 H GLY A 84 -17.376 23.515 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.629 23.249 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.223 22.204 -2.817 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.282 24.809 -1.368 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.855 25.408 -0.074 1.00 0.00 C ATOM 1340 C GLY A 85 -15.546 24.765 0.385 1.00 0.00 C ATOM 1341 O GLY A 85 -15.251 24.713 1.563 1.00 0.00 O ATOM 0 H GLY A 85 -16.869 25.231 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.723 26.484 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.628 25.259 0.680 1.00 0.00 H new ATOM 1345 N MET A 86 -14.754 24.283 -0.531 1.00 0.00 N ATOM 1346 CA MET A 86 -13.460 23.656 -0.131 1.00 0.00 C ATOM 1347 C MET A 86 -12.340 24.670 -0.346 1.00 0.00 C ATOM 1348 O MET A 86 -12.418 25.511 -1.214 1.00 0.00 O ATOM 1349 CB MET A 86 -13.196 22.412 -0.981 1.00 0.00 C ATOM 1350 CG MET A 86 -14.419 21.493 -0.934 1.00 0.00 C ATOM 1351 SD MET A 86 -14.013 19.909 -1.712 1.00 0.00 S ATOM 1352 CE MET A 86 -12.624 19.476 -0.637 1.00 0.00 C ATOM 0 H MET A 86 -14.943 24.295 -1.533 1.00 0.00 H new ATOM 0 HA MET A 86 -13.503 23.361 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.984 22.700 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.317 21.885 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 86 -14.729 21.334 0.099 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.258 21.960 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.553 18.392 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.700 19.869 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.781 19.907 0.352 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.306 24.619 0.444 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.207 25.606 0.272 1.00 0.00 C ATOM 1364 C ARG A 87 -8.882 24.890 0.010 1.00 0.00 C ATOM 1365 O ARG A 87 -8.546 23.920 0.660 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.085 26.452 1.540 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.335 27.320 1.695 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.080 28.397 2.751 1.00 0.00 C ATOM 1369 NE ARG A 87 -12.328 28.630 3.532 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.648 29.838 3.905 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -11.712 30.708 4.178 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -13.903 30.178 4.006 1.00 0.00 N ATOM 0 H ARG A 87 -11.175 23.942 1.196 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.436 26.245 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.967 25.807 2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.197 27.081 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.590 27.783 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.185 26.703 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.274 28.086 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.759 29.322 2.273 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.932 27.845 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.730 30.442 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.963 31.653 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.634 29.499 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.154 31.123 4.298 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.116 25.384 -0.922 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.795 24.768 -1.217 1.00 0.00 C ATOM 1388 C ASN A 88 -5.766 25.892 -1.329 1.00 0.00 C ATOM 1389 O ASN A 88 -6.043 26.944 -1.869 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.864 23.985 -2.530 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.950 22.913 -2.429 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.959 22.988 -3.102 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.785 21.909 -1.611 1.00 0.00 N ATOM 0 H ASN A 88 -8.351 26.194 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.513 24.077 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.081 24.661 -3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.900 23.522 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.503 21.188 -1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.938 21.845 -1.046 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.588 25.696 -0.808 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.569 26.778 -0.876 1.00 0.00 C ATOM 1402 C VAL A 89 -2.303 26.272 -1.567 1.00 0.00 C ATOM 1403 O VAL A 89 -1.828 25.185 -1.304 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.220 27.235 0.542 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.448 28.555 0.475 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.506 27.437 1.344 1.00 0.00 C ATOM 0 H VAL A 89 -4.288 24.840 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.977 27.612 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.605 26.477 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.198 28.882 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.531 28.412 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.064 29.312 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.257 27.763 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.122 28.195 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.057 26.498 1.391 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.743 27.068 -2.435 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.495 26.654 -3.132 1.00 0.00 C ATOM 1418 C PHE A 90 0.574 27.714 -2.876 1.00 0.00 C ATOM 1419 O PHE A 90 0.397 28.876 -3.186 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.752 26.530 -4.635 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.920 25.602 -4.869 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -2.025 24.412 -4.141 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -2.897 25.934 -5.815 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.109 23.553 -4.357 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.982 25.076 -6.031 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.087 23.885 -5.303 1.00 0.00 C ATOM 0 H PHE A 90 -2.097 27.989 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.162 25.687 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.962 27.511 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.137 26.148 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.270 24.156 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.814 26.852 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.191 22.635 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.737 25.333 -6.759 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.923 23.222 -5.471 1.00 0.00 H new ATOM 1436 N ASP A 91 1.678 27.328 -2.303 1.00 0.00 N ATOM 1437 CA ASP A 91 2.749 28.321 -2.018 1.00 0.00 C ATOM 1438 C ASP A 91 3.821 28.252 -3.104 1.00 0.00 C ATOM 1439 O ASP A 91 4.103 27.205 -3.653 1.00 0.00 O ATOM 1440 CB ASP A 91 3.379 28.018 -0.658 1.00 0.00 C ATOM 1441 CG ASP A 91 2.380 28.353 0.453 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.429 29.062 0.172 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.583 27.892 1.563 1.00 0.00 O ATOM 0 H ASP A 91 1.885 26.370 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 91 2.316 29.321 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.662 26.967 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.291 28.601 -0.530 1.00 0.00 H new ATOM 1448 N GLU A 92 4.426 29.364 -3.408 1.00 0.00 N ATOM 1449 CA GLU A 92 5.490 29.382 -4.447 1.00 0.00 C ATOM 1450 C GLU A 92 4.972 28.769 -5.749 1.00 0.00 C ATOM 1451 O GLU A 92 5.598 27.898 -6.319 1.00 0.00 O ATOM 1452 CB GLU A 92 6.693 28.577 -3.954 1.00 0.00 C ATOM 1453 CG GLU A 92 7.896 28.851 -4.859 1.00 0.00 C ATOM 1454 CD GLU A 92 9.024 27.875 -4.519 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.907 27.193 -3.514 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.985 27.826 -5.269 1.00 0.00 O ATOM 0 H GLU A 92 4.228 30.268 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 92 5.784 30.415 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.929 28.849 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.458 27.513 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.610 28.742 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.237 29.878 -4.727 1.00 0.00 H new ATOM 1463 N VAL A 93 3.846 29.216 -6.239 1.00 0.00 N ATOM 1464 CA VAL A 93 3.322 28.650 -7.513 1.00 0.00 C ATOM 1465 C VAL A 93 4.040 29.321 -8.686 1.00 0.00 C ATOM 1466 O VAL A 93 4.302 28.709 -9.702 1.00 0.00 O ATOM 1467 CB VAL A 93 1.818 28.915 -7.613 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.342 28.629 -9.038 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.073 28.003 -6.636 1.00 0.00 C ATOM 0 H VAL A 93 3.271 29.944 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 93 3.497 27.574 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 93 1.617 29.957 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.271 28.818 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.872 29.278 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.544 27.587 -9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.002 28.192 -6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.275 26.961 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.410 28.206 -5.620 1.00 0.00 H new ATOM 1479 N ILE A 94 4.369 30.576 -8.546 1.00 0.00 N ATOM 1480 CA ILE A 94 5.079 31.291 -9.644 1.00 0.00 C ATOM 1481 C ILE A 94 6.209 32.132 -9.046 1.00 0.00 C ATOM 1482 O ILE A 94 5.993 32.936 -8.161 1.00 0.00 O ATOM 1483 CB ILE A 94 4.095 32.201 -10.382 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.082 31.346 -11.145 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.862 33.086 -11.368 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.796 32.147 -11.359 1.00 0.00 C ATOM 0 H ILE A 94 4.176 31.138 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 94 5.494 30.568 -10.346 1.00 0.00 H new ATOM 0 HB ILE A 94 3.570 32.829 -9.662 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.497 31.042 -12.106 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.867 30.434 -10.588 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.162 33.735 -11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.584 33.696 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.387 32.458 -12.088 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.074 31.538 -11.903 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.378 32.429 -10.393 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.019 33.046 -11.934 1.00 0.00 H new ATOM 1498 N PRO A 95 7.441 31.932 -9.536 1.00 0.00 N ATOM 1499 CA PRO A 95 8.615 32.665 -9.046 1.00 0.00 C ATOM 1500 C PRO A 95 8.581 34.141 -9.452 1.00 0.00 C ATOM 1501 O PRO A 95 7.851 34.537 -10.340 1.00 0.00 O ATOM 1502 CB PRO A 95 9.788 31.957 -9.723 1.00 0.00 C ATOM 1503 CG PRO A 95 9.201 31.345 -10.951 1.00 0.00 C ATOM 1504 CD PRO A 95 7.784 30.979 -10.606 1.00 0.00 C ATOM 0 HA PRO A 95 8.672 32.664 -7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.584 32.659 -9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.223 31.199 -9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.229 32.045 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.767 30.464 -11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.121 31.082 -11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.706 29.946 -10.266 1.00 0.00 H new ATOM 1512 N THR A 96 9.364 34.957 -8.802 1.00 0.00 N ATOM 1513 CA THR A 96 9.380 36.409 -9.136 1.00 0.00 C ATOM 1514 C THR A 96 9.546 36.597 -10.644 1.00 0.00 C ATOM 1515 O THR A 96 8.956 37.479 -11.235 1.00 0.00 O ATOM 1516 CB THR A 96 10.546 37.086 -8.411 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.474 36.791 -7.023 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.467 38.599 -8.618 1.00 0.00 C ATOM 0 H THR A 96 9.996 34.679 -8.051 1.00 0.00 H new ATOM 0 HA THR A 96 8.438 36.857 -8.820 1.00 0.00 H new ATOM 0 HB THR A 96 11.489 36.715 -8.813 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.220 37.223 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.297 39.081 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.523 38.824 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.525 38.972 -8.217 1.00 0.00 H new ATOM 1526 N ALA A 97 10.350 35.785 -11.276 1.00 0.00 N ATOM 1527 CA ALA A 97 10.546 35.944 -12.745 1.00 0.00 C ATOM 1528 C ALA A 97 9.718 34.896 -13.493 1.00 0.00 C ATOM 1529 O ALA A 97 10.086 33.740 -13.570 1.00 0.00 O ATOM 1530 CB ALA A 97 12.026 35.767 -13.085 1.00 0.00 C ATOM 0 H ALA A 97 10.875 35.025 -10.843 1.00 0.00 H new ATOM 0 HA ALA A 97 10.221 36.940 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.169 35.883 -14.159 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.613 36.519 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.353 34.773 -12.781 1.00 0.00 H new ATOM 1536 N PHE A 98 8.606 35.291 -14.050 1.00 0.00 N ATOM 1537 CA PHE A 98 7.759 34.320 -14.797 1.00 0.00 C ATOM 1538 C PHE A 98 7.818 34.647 -16.290 1.00 0.00 C ATOM 1539 O PHE A 98 8.062 35.771 -16.679 1.00 0.00 O ATOM 1540 CB PHE A 98 6.314 34.425 -14.308 1.00 0.00 C ATOM 1541 CG PHE A 98 5.828 35.844 -14.477 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.317 36.266 -15.711 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.890 36.738 -13.403 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.868 37.583 -15.869 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.442 38.054 -13.560 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.930 38.477 -14.793 1.00 0.00 C ATOM 0 H PHE A 98 8.247 36.245 -14.020 1.00 0.00 H new ATOM 0 HA PHE A 98 8.125 33.307 -14.629 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.678 33.742 -14.871 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.251 34.130 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.269 35.576 -16.540 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.284 36.412 -12.452 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.474 37.909 -16.820 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.491 38.744 -12.730 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.583 39.493 -14.914 1.00 0.00 H new ATOM 1556 N SER A 99 7.598 33.673 -17.130 1.00 0.00 N ATOM 1557 CA SER A 99 7.645 33.936 -18.596 1.00 0.00 C ATOM 1558 C SER A 99 6.220 33.983 -19.152 1.00 0.00 C ATOM 1559 O SER A 99 5.274 33.601 -18.494 1.00 0.00 O ATOM 1560 CB SER A 99 8.425 32.817 -19.290 1.00 0.00 C ATOM 1561 OG SER A 99 8.899 33.280 -20.547 1.00 0.00 O ATOM 0 H SER A 99 7.389 32.710 -16.866 1.00 0.00 H new ATOM 0 HA SER A 99 8.138 34.891 -18.778 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.262 32.502 -18.667 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.786 31.945 -19.429 1.00 0.00 H new ATOM 0 HG SER A 99 9.642 32.715 -20.845 1.00 0.00 H new ATOM 1567 N ILE A 100 6.062 34.447 -20.360 1.00 0.00 N ATOM 1568 CA ILE A 100 4.700 34.516 -20.957 1.00 0.00 C ATOM 1569 C ILE A 100 4.529 33.373 -21.959 1.00 0.00 C ATOM 1570 O ILE A 100 5.427 33.061 -22.717 1.00 0.00 O ATOM 1571 CB ILE A 100 4.518 35.855 -21.674 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.650 36.998 -20.665 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.131 35.903 -22.319 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.444 36.990 -19.724 1.00 0.00 C ATOM 0 H ILE A 100 6.817 34.781 -20.959 1.00 0.00 H new ATOM 0 HA ILE A 100 3.953 34.427 -20.168 1.00 0.00 H new ATOM 0 HB ILE A 100 5.282 35.961 -22.444 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.571 36.888 -20.093 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.711 37.953 -21.187 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.000 36.857 -22.830 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.036 35.090 -23.038 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.367 35.797 -21.548 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.538 37.804 -19.005 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.530 37.121 -20.303 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.404 36.039 -19.192 1.00 0.00 H new ATOM 1586 N GLY A 101 3.387 32.745 -21.972 1.00 0.00 N ATOM 1587 CA GLY A 101 3.164 31.624 -22.926 1.00 0.00 C ATOM 1588 C GLY A 101 3.580 30.303 -22.275 1.00 0.00 C ATOM 1589 O GLY A 101 3.756 29.301 -22.939 1.00 0.00 O ATOM 0 H GLY A 101 2.598 32.960 -21.363 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.114 31.583 -23.215 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.739 31.789 -23.837 1.00 0.00 H new ATOM 1593 N LYS A 102 3.734 30.289 -20.977 1.00 0.00 N ATOM 1594 CA LYS A 102 4.134 29.025 -20.292 1.00 0.00 C ATOM 1595 C LYS A 102 3.039 28.626 -19.299 1.00 0.00 C ATOM 1596 O LYS A 102 1.942 29.149 -19.333 1.00 0.00 O ATOM 1597 CB LYS A 102 5.452 29.243 -19.546 1.00 0.00 C ATOM 1598 CG LYS A 102 6.625 29.043 -20.505 1.00 0.00 C ATOM 1599 CD LYS A 102 7.940 29.234 -19.745 1.00 0.00 C ATOM 1600 CE LYS A 102 8.928 30.006 -20.623 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.389 29.134 -21.738 1.00 0.00 N ATOM 0 H LYS A 102 3.601 31.094 -20.364 1.00 0.00 H new ATOM 0 HA LYS A 102 4.266 28.232 -21.028 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.481 30.248 -19.125 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.529 28.546 -18.712 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.586 28.045 -20.942 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.561 29.754 -21.329 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.761 29.777 -18.817 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.359 28.265 -19.472 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.453 30.903 -21.021 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.780 30.334 -20.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.060 29.659 -22.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.857 28.291 -21.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.572 28.842 -22.311 1.00 0.00 H new ATOM 1615 N THR A 103 3.321 27.713 -18.409 1.00 0.00 N ATOM 1616 CA THR A 103 2.286 27.308 -17.417 1.00 0.00 C ATOM 1617 C THR A 103 2.914 27.319 -16.022 1.00 0.00 C ATOM 1618 O THR A 103 4.122 27.316 -15.890 1.00 0.00 O ATOM 1619 CB THR A 103 1.797 25.893 -17.742 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.511 25.801 -19.131 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.532 25.591 -16.938 1.00 0.00 C ATOM 0 H THR A 103 4.217 27.233 -18.326 1.00 0.00 H new ATOM 0 HA THR A 103 1.444 27.999 -17.453 1.00 0.00 H new ATOM 0 HB THR A 103 2.571 25.171 -17.481 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.199 24.896 -19.342 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.185 24.584 -17.170 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.752 25.662 -15.873 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.244 26.311 -17.197 1.00 0.00 H new ATOM 1629 N TYR A 104 2.135 27.319 -14.976 1.00 0.00 N ATOM 1630 CA TYR A 104 2.743 27.314 -13.617 1.00 0.00 C ATOM 1631 C TYR A 104 1.785 26.627 -12.641 1.00 0.00 C ATOM 1632 O TYR A 104 0.891 27.242 -12.095 1.00 0.00 O ATOM 1633 CB TYR A 104 3.001 28.751 -13.163 1.00 0.00 C ATOM 1634 CG TYR A 104 4.330 29.213 -13.712 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.514 28.601 -13.282 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.378 30.248 -14.651 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.746 29.024 -13.793 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.611 30.673 -15.162 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.795 30.061 -14.733 1.00 0.00 C ATOM 1640 OH TYR A 104 8.010 30.478 -15.237 1.00 0.00 O ATOM 0 H TYR A 104 1.115 27.322 -15.002 1.00 0.00 H new ATOM 0 HA TYR A 104 3.689 26.774 -13.641 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.202 29.405 -13.513 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.004 28.806 -12.074 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.476 27.802 -12.556 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.465 30.720 -14.982 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.659 28.551 -13.463 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.648 31.473 -15.887 1.00 0.00 H new ATOM 0 HH TYR A 104 7.888 30.812 -16.150 1.00 0.00 H new ATOM 1650 N LYS A 105 1.960 25.353 -12.424 1.00 0.00 N ATOM 1651 CA LYS A 105 1.056 24.622 -11.492 1.00 0.00 C ATOM 1652 C LYS A 105 1.738 24.470 -10.130 1.00 0.00 C ATOM 1653 O LYS A 105 2.939 24.612 -10.011 1.00 0.00 O ATOM 1654 CB LYS A 105 0.751 23.237 -12.066 1.00 0.00 C ATOM 1655 CG LYS A 105 2.043 22.421 -12.142 1.00 0.00 C ATOM 1656 CD LYS A 105 2.054 21.601 -13.433 1.00 0.00 C ATOM 1657 CE LYS A 105 1.209 20.339 -13.243 1.00 0.00 C ATOM 1658 NZ LYS A 105 -0.082 20.491 -13.972 1.00 0.00 N ATOM 0 H LYS A 105 2.691 24.786 -12.853 1.00 0.00 H new ATOM 0 HA LYS A 105 0.128 25.181 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.021 22.725 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.309 23.332 -13.058 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.907 23.085 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.120 21.760 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.659 22.195 -14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.077 21.331 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 105 1.748 19.468 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.022 20.170 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.862 20.556 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.055 21.356 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.231 19.667 -14.589 1.00 0.00 H new ATOM 1672 N PRO A 106 0.951 24.176 -9.084 1.00 0.00 N ATOM 1673 CA PRO A 106 1.477 24.002 -7.723 1.00 0.00 C ATOM 1674 C PRO A 106 2.314 22.727 -7.595 1.00 0.00 C ATOM 1675 O PRO A 106 2.038 21.725 -8.228 1.00 0.00 O ATOM 1676 CB PRO A 106 0.216 23.890 -6.864 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.833 23.395 -7.801 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.510 23.988 -9.143 1.00 0.00 C ATOM 0 HA PRO A 106 2.136 24.820 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.362 23.201 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.058 24.854 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.832 22.306 -7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.826 23.699 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.798 23.323 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.032 24.932 -9.303 1.00 0.00 H new ATOM 1686 N GLU A 107 3.335 22.753 -6.782 1.00 0.00 N ATOM 1687 CA GLU A 107 4.187 21.543 -6.617 1.00 0.00 C ATOM 1688 C GLU A 107 3.451 20.513 -5.757 1.00 0.00 C ATOM 1689 O GLU A 107 3.603 19.320 -5.931 1.00 0.00 O ATOM 1690 CB GLU A 107 5.500 21.933 -5.934 1.00 0.00 C ATOM 1691 CG GLU A 107 6.419 22.616 -6.950 1.00 0.00 C ATOM 1692 CD GLU A 107 6.725 21.647 -8.094 1.00 0.00 C ATOM 1693 OE1 GLU A 107 6.495 20.463 -7.918 1.00 0.00 O ATOM 1694 OE2 GLU A 107 7.185 22.108 -9.126 1.00 0.00 O ATOM 0 H GLU A 107 3.615 23.560 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 107 4.400 21.113 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.302 22.604 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.987 21.048 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.943 23.516 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.345 22.928 -6.467 1.00 0.00 H new ATOM 1701 N GLU A 108 2.653 20.964 -4.827 1.00 0.00 N ATOM 1702 CA GLU A 108 1.908 20.011 -3.958 1.00 0.00 C ATOM 1703 C GLU A 108 0.543 19.714 -4.582 1.00 0.00 C ATOM 1704 O GLU A 108 0.304 20.177 -5.685 1.00 0.00 O ATOM 1705 CB GLU A 108 1.712 20.630 -2.573 1.00 0.00 C ATOM 1706 CG GLU A 108 3.043 21.197 -2.075 1.00 0.00 C ATOM 1707 CD GLU A 108 3.190 22.645 -2.549 1.00 0.00 C ATOM 1708 OE1 GLU A 108 2.258 23.145 -3.156 1.00 0.00 O ATOM 1709 OE2 GLU A 108 4.231 23.227 -2.295 1.00 0.00 O ATOM 1710 OXT GLU A 108 -0.240 19.026 -3.947 1.00 0.00 O ATOM 0 H GLU A 108 2.485 21.951 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 108 2.475 19.085 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.962 21.420 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.341 19.878 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.085 21.153 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.870 20.595 -2.450 1.00 0.00 H new TER 1717 GLU A 108