USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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 97 ASN : amide:sc= 0.265 K(o=0.058,f=-1.3) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -149:sc= -0.207 (180deg=-0.818) USER MOD Set 2.1: A 87 GLN : amide:sc= -1.29 K(o=0.25,f=-3.6) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.997) USER MOD Set 2.3: A 91 ASN :FLIP amide:sc= 0.265 F(o=-3.5,f=0.25) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= 0.508 (180deg=0.0603) USER MOD Single : A 6 GLN : amide:sc= -0.95 X(o=-0.95,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -2.61 F(o=-3.4!,f=-2.6) USER MOD Single : A 19 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.3) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 SER OG : rot 14:sc= 0.389 USER MOD Single : A 47 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.026) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0215 USER MOD Single : A 54 GLN : amide:sc= -0.996 K(o=-1,f=-3.6!) USER MOD Single : A 57 GLN : amide:sc= -3.1 X(o=-3.1,f=-3.1!) USER MOD Single : A 63 THR OG1 : rot 122:sc= 0.936 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.071) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -29:sc= 0.336 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -50:sc= 0.749 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -83:sc= -0.676 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.573 F(o=-3.3!,f=-0.57) USER MOD Single : A 98 MET CE :methyl 134:sc= -1.66 (180deg=-3.33!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0.093) USER MOD Single : A 103 THR OG1 : rot -156:sc= -0.702 USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 4 -2.630 -17.714 7.556 1.00 0.00 N ATOM 52 CA LYS A 4 -1.667 -17.153 8.488 1.00 0.00 C ATOM 53 C LYS A 4 -1.012 -15.908 7.922 1.00 0.00 C ATOM 54 O LYS A 4 -1.097 -14.929 8.630 1.00 0.00 O ATOM 55 CB LYS A 4 -0.622 -18.185 8.933 1.00 0.00 C ATOM 56 CG LYS A 4 -0.463 -18.170 10.462 1.00 0.00 C ATOM 57 CD LYS A 4 0.200 -16.888 10.993 1.00 0.00 C ATOM 58 CE LYS A 4 -0.366 -16.441 12.337 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.020 -15.018 12.582 1.00 0.00 N ATOM 0 HA LYS A 4 -2.221 -16.861 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.922 -19.180 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.336 -17.968 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.444 -18.281 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.132 -19.031 10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.273 -17.054 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.068 -16.088 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.449 -16.568 12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.035 -17.065 13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.113 -14.808 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.959 -14.842 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.664 -14.406 12.042 1.00 0.00 H new ATOM 73 N CYS A 5 -0.575 -15.897 6.662 1.00 0.00 N ATOM 74 CA CYS A 5 -0.011 -14.716 6.008 1.00 0.00 C ATOM 75 C CYS A 5 -0.850 -13.447 6.239 1.00 0.00 C ATOM 76 O CYS A 5 -0.392 -12.412 6.707 1.00 0.00 O ATOM 77 CB CYS A 5 0.101 -15.010 4.530 1.00 0.00 C ATOM 78 SG CYS A 5 1.605 -14.345 3.826 1.00 0.00 S ATOM 0 H CYS A 5 -0.603 -16.719 6.059 1.00 0.00 H new ATOM 0 HA CYS A 5 0.968 -14.514 6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.073 -16.088 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.760 -14.589 4.010 1.00 0.00 H new ATOM 83 N GLN A 6 -2.167 -13.558 6.059 1.00 0.00 N ATOM 84 CA GLN A 6 -3.101 -12.491 6.386 1.00 0.00 C ATOM 85 C GLN A 6 -2.995 -11.995 7.822 1.00 0.00 C ATOM 86 O GLN A 6 -2.964 -10.791 8.076 1.00 0.00 O ATOM 87 CB GLN A 6 -4.542 -12.922 6.079 1.00 0.00 C ATOM 88 CG GLN A 6 -5.080 -12.272 4.812 1.00 0.00 C ATOM 89 CD GLN A 6 -6.185 -11.286 5.154 1.00 0.00 C ATOM 90 OE1 GLN A 6 -7.349 -11.472 4.849 1.00 0.00 O ATOM 91 NE2 GLN A 6 -5.870 -10.217 5.850 1.00 0.00 N ATOM 0 H GLN A 6 -2.612 -14.394 5.681 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.823 -11.649 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.580 -14.006 5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.184 -12.661 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.274 -11.758 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.462 -13.037 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.899 -10.047 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.596 -9.557 6.127 1.00 0.00 H new ATOM 100 N ARG A 7 -3.003 -12.938 8.759 1.00 0.00 N ATOM 101 CA ARG A 7 -2.732 -12.695 10.166 1.00 0.00 C ATOM 102 C ARG A 7 -1.254 -12.564 10.492 1.00 0.00 C ATOM 103 O ARG A 7 -0.965 -12.630 11.670 1.00 0.00 O ATOM 104 CB ARG A 7 -3.393 -13.792 11.020 1.00 0.00 C ATOM 105 CG ARG A 7 -4.683 -13.265 11.644 1.00 0.00 C ATOM 106 CD ARG A 7 -5.900 -13.754 10.854 1.00 0.00 C ATOM 107 NE ARG A 7 -7.108 -13.718 11.694 1.00 0.00 N ATOM 108 CZ ARG A 7 -7.353 -14.495 12.741 1.00 0.00 C ATOM 109 NH1 ARG A 7 -6.499 -15.409 13.121 1.00 0.00 N ATOM 110 NH2 ARG A 7 -8.441 -14.362 13.425 1.00 0.00 N ATOM 0 H ARG A 7 -3.204 -13.916 8.552 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.168 -11.726 10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.608 -14.664 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.708 -14.117 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.756 -13.599 12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.667 -12.175 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.044 -13.129 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.727 -14.770 10.499 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.822 -13.033 11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.625 -15.535 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.706 -15.996 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.125 -13.652 13.162 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.616 -14.967 14.228 1.00 0.00 H new ATOM 124 N GLU A 8 -0.348 -12.450 9.533 1.00 0.00 N ATOM 125 CA GLU A 8 1.104 -12.320 9.697 1.00 0.00 C ATOM 126 C GLU A 8 1.571 -10.929 9.305 1.00 0.00 C ATOM 127 O GLU A 8 2.409 -10.361 9.986 1.00 0.00 O ATOM 128 CB GLU A 8 1.857 -13.392 8.906 1.00 0.00 C ATOM 129 CG GLU A 8 2.560 -14.384 9.829 1.00 0.00 C ATOM 130 CD GLU A 8 3.953 -14.774 9.345 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.952 -15.581 8.349 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.912 -14.435 10.014 1.00 0.00 O ATOM 0 H GLU A 8 -0.620 -12.445 8.550 1.00 0.00 H new ATOM 0 HA GLU A 8 1.330 -12.471 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.159 -13.926 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.591 -12.916 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.637 -13.950 10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.949 -15.282 9.919 1.00 0.00 H new ATOM 139 N PHE A 9 0.840 -10.303 8.382 1.00 0.00 N ATOM 140 CA PHE A 9 1.098 -8.948 7.950 1.00 0.00 C ATOM 141 C PHE A 9 0.745 -8.008 9.081 1.00 0.00 C ATOM 142 O PHE A 9 1.498 -7.143 9.488 1.00 0.00 O ATOM 143 CB PHE A 9 0.216 -8.676 6.721 1.00 0.00 C ATOM 144 CG PHE A 9 -0.108 -7.225 6.461 1.00 0.00 C ATOM 145 CD1 PHE A 9 -1.132 -6.562 7.171 1.00 0.00 C ATOM 146 CD2 PHE A 9 0.558 -6.518 5.448 1.00 0.00 C ATOM 147 CE1 PHE A 9 -1.343 -5.203 7.034 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.222 -5.189 5.192 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.653 -4.495 6.041 1.00 0.00 C ATOM 0 H PHE A 9 0.044 -10.737 7.914 1.00 0.00 H new ATOM 0 HA PHE A 9 2.146 -8.800 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.715 -9.082 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.719 -9.223 6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.765 -7.130 7.837 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.329 -7.002 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.034 -4.691 7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.640 -4.689 4.331 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.793 -3.430 5.931 1.00 0.00 H new ATOM 159 N GLN A 10 -0.463 -8.141 9.639 1.00 0.00 N ATOM 160 CA GLN A 10 -0.907 -7.191 10.648 1.00 0.00 C ATOM 161 C GLN A 10 -0.499 -7.637 12.040 1.00 0.00 C ATOM 162 O GLN A 10 -0.578 -6.814 12.955 1.00 0.00 O ATOM 163 CB GLN A 10 -2.419 -6.961 10.595 1.00 0.00 C ATOM 164 CG GLN A 10 -2.749 -5.461 10.699 1.00 0.00 C ATOM 165 CD GLN A 10 -3.838 -5.148 11.712 1.00 0.00 C ATOM 166 OE1 GLN A 10 -4.749 -5.919 11.957 1.00 0.00 O ATOM 167 NE2 GLN A 10 -3.790 -3.979 12.310 1.00 0.00 N ATOM 0 H GLN A 10 -1.131 -8.878 9.413 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.415 -6.245 10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.820 -7.362 9.664 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.902 -7.501 11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.845 -4.916 10.970 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.059 -5.097 9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.028 -3.333 12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.515 -3.718 12.978 1.00 0.00 H new ATOM 176 N GLN A 11 -0.064 -8.899 12.160 1.00 0.00 N ATOM 177 CA GLN A 11 0.365 -9.502 13.404 1.00 0.00 C ATOM 178 C GLN A 11 1.286 -8.566 14.151 1.00 0.00 C ATOM 179 O GLN A 11 0.963 -8.162 15.263 1.00 0.00 O ATOM 180 CB GLN A 11 1.051 -10.845 13.141 1.00 0.00 C ATOM 181 CG GLN A 11 0.623 -11.884 14.181 1.00 0.00 C ATOM 182 CD GLN A 11 1.756 -12.391 15.047 1.00 0.00 C ATOM 183 OE1 GLN A 11 2.590 -13.142 14.579 1.00 0.00 O ATOM 184 NE2 GLN A 11 1.705 -12.134 16.326 1.00 0.00 N ATOM 0 H GLN A 11 -0.004 -9.536 11.365 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.513 -9.685 14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.798 -11.198 12.141 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.133 -10.718 13.170 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.143 -11.447 14.822 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.165 -12.730 13.668 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.994 -11.500 16.691 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.376 -12.567 16.960 1.00 0.00 H new ATOM 193 N GLU A 12 2.367 -8.164 13.478 1.00 0.00 N ATOM 194 CA GLU A 12 3.430 -7.356 14.072 1.00 0.00 C ATOM 195 C GLU A 12 4.496 -6.957 13.039 1.00 0.00 C ATOM 196 O GLU A 12 5.657 -6.716 13.356 1.00 0.00 O ATOM 197 CB GLU A 12 4.019 -8.044 15.320 1.00 0.00 C ATOM 198 CG GLU A 12 4.048 -9.582 15.247 1.00 0.00 C ATOM 199 CD GLU A 12 4.926 -10.203 16.333 1.00 0.00 C ATOM 200 OE1 GLU A 12 6.074 -9.782 16.476 1.00 0.00 O ATOM 201 OE2 GLU A 12 4.369 -11.108 17.042 1.00 0.00 O ATOM 0 H GLU A 12 2.529 -8.393 12.497 1.00 0.00 H new ATOM 0 HA GLU A 12 2.989 -6.419 14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.035 -7.681 15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.438 -7.745 16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.032 -9.966 15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.415 -9.889 14.268 1.00 0.00 H new ATOM 208 N GLN A 13 4.094 -6.831 11.772 1.00 0.00 N ATOM 209 CA GLN A 13 5.008 -6.512 10.689 1.00 0.00 C ATOM 210 C GLN A 13 4.217 -6.034 9.481 1.00 0.00 C ATOM 211 O GLN A 13 4.170 -6.636 8.431 1.00 0.00 O ATOM 212 CB GLN A 13 5.929 -7.710 10.384 1.00 0.00 C ATOM 213 CG GLN A 13 7.384 -7.234 10.338 1.00 0.00 C ATOM 214 CD GLN A 13 8.272 -8.208 9.584 1.00 0.00 C ATOM 215 OE1 GLN A 13 8.521 -8.101 8.394 1.00 0.00 O ATOM 216 NE2 GLN A 13 8.871 -9.147 10.271 1.00 0.00 N ATOM 0 H GLN A 13 3.125 -6.948 11.475 1.00 0.00 H new ATOM 0 HA GLN A 13 5.668 -5.696 10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.810 -8.478 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.652 -8.162 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.431 -6.255 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.759 -7.112 11.354 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.677 -9.253 11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.532 -9.773 9.811 1.00 0.00 H new ATOM 225 N HIS A 14 3.484 -4.934 9.681 1.00 0.00 N ATOM 226 CA HIS A 14 2.697 -4.327 8.614 1.00 0.00 C ATOM 227 C HIS A 14 3.663 -3.766 7.567 1.00 0.00 C ATOM 228 O HIS A 14 4.869 -3.923 7.614 1.00 0.00 O ATOM 229 CB HIS A 14 1.734 -3.254 9.147 1.00 0.00 C ATOM 230 CG HIS A 14 1.151 -3.452 10.531 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.164 -4.587 11.293 1.00 0.00 N flip ATOM 232 CD2 HIS A 14 0.547 -2.462 11.267 1.00 0.00 C flip ATOM 233 CE1 HIS A 14 0.531 -4.289 12.485 1.00 0.00 C flip ATOM 234 NE2 HIS A 14 0.182 -2.998 12.462 1.00 0.00 N flip ATOM 0 H HIS A 14 3.422 -4.448 10.576 1.00 0.00 H new ATOM 0 HA HIS A 14 2.062 -5.084 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.259 -2.299 9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.906 -3.169 8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.390 -1.441 10.953 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.349 -4.980 13.295 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.283 -2.497 13.219 1.00 0.00 H new ATOM 243 N LEU A 15 3.143 -2.932 6.674 1.00 0.00 N ATOM 244 CA LEU A 15 3.931 -2.408 5.578 1.00 0.00 C ATOM 245 C LEU A 15 4.301 -0.978 5.895 1.00 0.00 C ATOM 246 O LEU A 15 3.763 -0.376 6.826 1.00 0.00 O ATOM 247 CB LEU A 15 3.153 -2.597 4.276 1.00 0.00 C ATOM 248 CG LEU A 15 3.244 -4.024 3.696 1.00 0.00 C ATOM 249 CD1 LEU A 15 4.416 -4.204 2.747 1.00 0.00 C ATOM 250 CD2 LEU A 15 3.352 -5.147 4.708 1.00 0.00 C ATOM 0 H LEU A 15 2.176 -2.607 6.692 1.00 0.00 H new ATOM 0 HA LEU A 15 4.871 -2.944 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.105 -2.353 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.526 -1.890 3.535 1.00 0.00 H new ATOM 0 HG LEU A 15 2.285 -4.104 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.427 -5.227 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.316 -3.512 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.347 -4.002 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.410 -6.102 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.249 -5.008 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.475 -5.139 5.355 1.00 0.00 H new ATOM 262 N ARG A 16 5.210 -0.415 5.109 1.00 0.00 N ATOM 263 CA ARG A 16 5.641 0.960 5.270 1.00 0.00 C ATOM 264 C ARG A 16 5.889 1.547 3.924 1.00 0.00 C ATOM 265 O ARG A 16 4.990 2.216 3.459 1.00 0.00 O ATOM 266 CB ARG A 16 6.883 1.071 6.130 1.00 0.00 C ATOM 267 CG ARG A 16 6.567 0.936 7.620 1.00 0.00 C ATOM 268 CD ARG A 16 6.872 2.228 8.377 1.00 0.00 C ATOM 269 NE ARG A 16 7.449 1.910 9.683 1.00 0.00 N ATOM 270 CZ ARG A 16 8.712 1.580 9.869 1.00 0.00 C ATOM 271 NH1 ARG A 16 9.575 1.551 8.890 1.00 0.00 N ATOM 272 NH2 ARG A 16 9.128 1.267 11.056 1.00 0.00 N ATOM 0 H ARG A 16 5.668 -0.904 4.340 1.00 0.00 H new ATOM 0 HA ARG A 16 4.852 1.511 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.594 0.298 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.364 2.032 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.516 0.678 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.150 0.118 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.565 2.842 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.959 2.810 8.504 1.00 0.00 H new ATOM 0 HE ARG A 16 6.838 1.946 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.280 1.789 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.544 1.291 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.479 1.276 11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.104 1.011 11.203 1.00 0.00 H new ATOM 286 N ALA A 17 7.035 1.320 3.302 1.00 0.00 N ATOM 287 CA ALA A 17 7.317 1.802 1.971 1.00 0.00 C ATOM 288 C ALA A 17 6.141 1.595 1.006 1.00 0.00 C ATOM 289 O ALA A 17 5.947 2.405 0.117 1.00 0.00 O ATOM 290 CB ALA A 17 8.624 1.207 1.448 1.00 0.00 C ATOM 0 H ALA A 17 7.801 0.789 3.717 1.00 0.00 H new ATOM 0 HA ALA A 17 7.451 2.882 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.819 1.583 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.443 1.493 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.543 0.120 1.420 1.00 0.00 H new ATOM 296 N CYS A 18 5.269 0.606 1.217 1.00 0.00 N ATOM 297 CA CYS A 18 4.031 0.432 0.471 1.00 0.00 C ATOM 298 C CYS A 18 2.960 1.440 0.868 1.00 0.00 C ATOM 299 O CYS A 18 2.402 2.157 0.047 1.00 0.00 O ATOM 300 CB CYS A 18 3.543 -0.990 0.640 1.00 0.00 C ATOM 301 SG CYS A 18 4.763 -2.178 0.084 1.00 0.00 S ATOM 0 H CYS A 18 5.412 -0.110 1.929 1.00 0.00 H new ATOM 0 HA CYS A 18 4.240 0.621 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.309 -1.172 1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.619 -1.127 0.078 1.00 0.00 H new ATOM 306 N GLN A 19 2.679 1.524 2.156 1.00 0.00 N ATOM 307 CA GLN A 19 1.776 2.504 2.735 1.00 0.00 C ATOM 308 C GLN A 19 2.441 3.844 3.116 1.00 0.00 C ATOM 309 O GLN A 19 1.991 4.554 4.017 1.00 0.00 O ATOM 310 CB GLN A 19 1.024 1.870 3.902 1.00 0.00 C ATOM 311 CG GLN A 19 1.918 1.142 4.902 1.00 0.00 C ATOM 312 CD GLN A 19 1.378 1.286 6.315 1.00 0.00 C ATOM 313 OE1 GLN A 19 0.977 0.349 6.986 1.00 0.00 O ATOM 314 NE2 GLN A 19 1.267 2.507 6.778 1.00 0.00 N ATOM 0 H GLN A 19 3.084 0.894 2.849 1.00 0.00 H new ATOM 0 HA GLN A 19 1.066 2.785 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.469 2.647 4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.291 1.166 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.981 0.086 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.930 1.544 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.600 3.295 6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.848 2.669 7.694 1.00 0.00 H new ATOM 323 N GLN A 20 3.511 4.213 2.421 1.00 0.00 N ATOM 324 CA GLN A 20 4.307 5.408 2.678 1.00 0.00 C ATOM 325 C GLN A 20 4.708 6.082 1.391 1.00 0.00 C ATOM 326 O GLN A 20 4.695 7.301 1.321 1.00 0.00 O ATOM 327 CB GLN A 20 5.585 5.118 3.464 1.00 0.00 C ATOM 328 CG GLN A 20 5.310 4.810 4.942 1.00 0.00 C ATOM 329 CD GLN A 20 6.276 5.480 5.888 1.00 0.00 C ATOM 330 OE1 GLN A 20 7.477 5.506 5.693 1.00 0.00 O ATOM 331 NE2 GLN A 20 5.771 6.012 6.969 1.00 0.00 N ATOM 0 H GLN A 20 3.861 3.668 1.633 1.00 0.00 H new ATOM 0 HA GLN A 20 3.664 6.057 3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.102 4.273 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.253 5.976 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.296 5.125 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.354 3.732 5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.764 5.987 7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.384 6.452 7.655 1.00 0.00 H new ATOM 340 N TRP A 21 4.977 5.322 0.331 1.00 0.00 N ATOM 341 CA TRP A 21 5.245 5.920 -0.974 1.00 0.00 C ATOM 342 C TRP A 21 4.066 6.764 -1.431 1.00 0.00 C ATOM 343 O TRP A 21 4.239 7.832 -1.997 1.00 0.00 O ATOM 344 CB TRP A 21 5.545 4.834 -2.001 1.00 0.00 C ATOM 345 CG TRP A 21 4.382 4.112 -2.595 1.00 0.00 C ATOM 346 CD1 TRP A 21 3.917 2.903 -2.243 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.500 4.576 -3.633 1.00 0.00 C ATOM 348 NE1 TRP A 21 2.786 2.597 -2.967 1.00 0.00 N ATOM 349 CE2 TRP A 21 2.484 3.591 -3.860 1.00 0.00 C ATOM 350 CE3 TRP A 21 3.449 5.756 -4.383 1.00 0.00 C ATOM 351 CZ2 TRP A 21 1.452 3.805 -4.780 1.00 0.00 C ATOM 352 CZ3 TRP A 21 2.431 5.949 -5.326 1.00 0.00 C ATOM 353 CH2 TRP A 21 1.435 4.980 -5.528 1.00 0.00 C ATOM 0 H TRP A 21 5.015 4.303 0.349 1.00 0.00 H new ATOM 0 HA TRP A 21 6.117 6.568 -0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 21 6.112 5.287 -2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.196 4.096 -1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 21 4.366 2.262 -1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.243 1.741 -2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.197 6.521 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.675 3.066 -4.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 2.412 6.859 -5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 21 0.659 5.145 -6.261 1.00 0.00 H new ATOM 364 N ILE A 22 2.850 6.320 -1.093 1.00 0.00 N ATOM 365 CA ILE A 22 1.614 7.024 -1.414 1.00 0.00 C ATOM 366 C ILE A 22 1.593 8.362 -0.672 1.00 0.00 C ATOM 367 O ILE A 22 1.019 9.326 -1.156 1.00 0.00 O ATOM 368 CB ILE A 22 0.392 6.171 -1.022 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.430 4.781 -1.674 1.00 0.00 C ATOM 370 CG2 ILE A 22 -0.934 6.835 -1.437 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.469 3.751 -1.002 1.00 0.00 C ATOM 0 H ILE A 22 2.700 5.450 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 22 1.568 7.205 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 22 0.442 6.080 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.138 4.875 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.456 4.414 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.768 6.199 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.025 7.804 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.949 6.973 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.383 2.798 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.164 3.625 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.504 4.092 -1.038 1.00 0.00 H new ATOM 383 N ARG A 23 2.168 8.421 0.535 1.00 0.00 N ATOM 384 CA ARG A 23 2.357 9.645 1.334 1.00 0.00 C ATOM 385 C ARG A 23 3.416 10.582 0.784 1.00 0.00 C ATOM 386 O ARG A 23 3.269 11.788 0.935 1.00 0.00 O ATOM 387 CB ARG A 23 2.664 9.321 2.803 1.00 0.00 C ATOM 388 CG ARG A 23 1.426 9.326 3.695 1.00 0.00 C ATOM 389 CD ARG A 23 0.213 8.677 3.030 1.00 0.00 C ATOM 390 NE ARG A 23 -0.700 9.697 2.494 1.00 0.00 N ATOM 391 CZ ARG A 23 -1.570 9.532 1.530 1.00 0.00 C ATOM 392 NH1 ARG A 23 -1.606 8.435 0.875 1.00 0.00 N ATOM 393 NH2 ARG A 23 -2.448 10.442 1.241 1.00 0.00 N ATOM 0 H ARG A 23 2.529 7.589 1.002 1.00 0.00 H new ATOM 0 HA ARG A 23 1.404 10.170 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.140 8.342 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.381 10.047 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.650 8.800 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.181 10.354 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.543 8.020 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.314 8.055 3.754 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.651 10.625 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.955 7.683 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.286 8.311 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.472 11.313 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.114 10.286 0.484 1.00 0.00 H new ATOM 407 N GLN A 24 4.404 10.040 0.094 1.00 0.00 N ATOM 408 CA GLN A 24 5.403 10.787 -0.647 1.00 0.00 C ATOM 409 C GLN A 24 4.922 11.236 -2.031 1.00 0.00 C ATOM 410 O GLN A 24 5.669 11.819 -2.801 1.00 0.00 O ATOM 411 CB GLN A 24 6.665 9.929 -0.736 1.00 0.00 C ATOM 412 CG GLN A 24 7.482 10.069 0.554 1.00 0.00 C ATOM 413 CD GLN A 24 8.523 11.176 0.472 1.00 0.00 C ATOM 414 OE1 GLN A 24 8.343 12.232 -0.111 1.00 0.00 O ATOM 415 NE2 GLN A 24 9.669 10.968 1.068 1.00 0.00 N ATOM 0 H GLN A 24 4.537 9.031 0.033 1.00 0.00 H new ATOM 0 HA GLN A 24 5.612 11.714 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.395 8.885 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.265 10.237 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.808 10.271 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.979 9.123 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.836 10.090 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.395 11.684 1.041 1.00 0.00 H new ATOM 679 N SER A 43 13.533 4.886 -2.850 1.00 0.00 N ATOM 680 CA SER A 43 12.867 4.287 -3.976 1.00 0.00 C ATOM 681 C SER A 43 11.834 3.336 -3.417 1.00 0.00 C ATOM 682 O SER A 43 11.941 2.153 -3.613 1.00 0.00 O ATOM 683 CB SER A 43 13.861 3.601 -4.923 1.00 0.00 C ATOM 684 OG SER A 43 15.093 4.282 -4.969 1.00 0.00 O ATOM 0 HA SER A 43 12.378 5.043 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.025 2.574 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.435 3.553 -5.925 1.00 0.00 H new ATOM 0 HG SER A 43 15.140 4.924 -4.230 1.00 0.00 H new ATOM 690 N LEU A 44 10.821 3.787 -2.677 1.00 0.00 N ATOM 691 CA LEU A 44 9.781 2.940 -2.122 1.00 0.00 C ATOM 692 C LEU A 44 9.116 2.121 -3.218 1.00 0.00 C ATOM 693 O LEU A 44 8.941 0.950 -3.075 1.00 0.00 O ATOM 694 CB LEU A 44 8.697 3.749 -1.438 1.00 0.00 C ATOM 695 CG LEU A 44 9.175 4.700 -0.336 1.00 0.00 C ATOM 696 CD1 LEU A 44 9.499 6.077 -0.919 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.165 4.863 0.789 1.00 0.00 C ATOM 0 H LEU A 44 10.704 4.773 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 44 10.269 2.292 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.173 4.333 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.971 3.059 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 44 10.072 4.247 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.837 6.739 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.285 5.979 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.606 6.495 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.562 5.548 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.234 5.264 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.974 3.894 1.249 1.00 0.00 H new ATOM 709 N ARG A 45 8.809 2.680 -4.381 1.00 0.00 N ATOM 710 CA ARG A 45 8.323 1.844 -5.483 1.00 0.00 C ATOM 711 C ARG A 45 9.264 0.741 -5.930 1.00 0.00 C ATOM 712 O ARG A 45 8.779 -0.173 -6.576 1.00 0.00 O ATOM 713 CB ARG A 45 8.008 2.749 -6.667 1.00 0.00 C ATOM 714 CG ARG A 45 6.858 3.710 -6.378 1.00 0.00 C ATOM 715 CD ARG A 45 5.621 2.954 -5.868 1.00 0.00 C ATOM 716 NE ARG A 45 4.390 3.501 -6.446 1.00 0.00 N ATOM 717 CZ ARG A 45 3.914 3.192 -7.632 1.00 0.00 C ATOM 718 NH1 ARG A 45 4.517 2.336 -8.414 1.00 0.00 N ATOM 719 NH2 ARG A 45 2.826 3.763 -8.048 1.00 0.00 N ATOM 0 H ARG A 45 8.882 3.676 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 45 7.442 1.327 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.898 3.321 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.756 2.136 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.171 4.444 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.604 4.261 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.707 1.897 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.575 3.018 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 45 3.863 4.172 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.381 1.888 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.124 2.116 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.349 4.444 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.447 3.531 -8.966 1.00 0.00 H new ATOM 733 N GLU A 46 10.533 0.821 -5.596 1.00 0.00 N ATOM 734 CA GLU A 46 11.556 -0.200 -5.820 1.00 0.00 C ATOM 735 C GLU A 46 11.889 -1.013 -4.570 1.00 0.00 C ATOM 736 O GLU A 46 12.349 -2.138 -4.667 1.00 0.00 O ATOM 737 CB GLU A 46 12.807 0.509 -6.357 1.00 0.00 C ATOM 738 CG GLU A 46 12.950 0.322 -7.866 1.00 0.00 C ATOM 739 CD GLU A 46 14.424 0.165 -8.228 1.00 0.00 C ATOM 740 OE1 GLU A 46 15.097 1.234 -8.312 1.00 0.00 O ATOM 741 OE2 GLU A 46 14.865 -0.981 -8.361 1.00 0.00 O ATOM 0 H GLU A 46 10.910 1.647 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 46 11.171 -0.925 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.752 1.572 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.692 0.118 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.391 -0.557 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.526 1.179 -8.390 1.00 0.00 H new ATOM 748 N GLN A 47 11.580 -0.482 -3.385 1.00 0.00 N ATOM 749 CA GLN A 47 11.829 -1.096 -2.110 1.00 0.00 C ATOM 750 C GLN A 47 10.579 -1.804 -1.646 1.00 0.00 C ATOM 751 O GLN A 47 10.664 -2.961 -1.368 1.00 0.00 O ATOM 752 CB GLN A 47 12.258 -0.083 -1.050 1.00 0.00 C ATOM 753 CG GLN A 47 13.740 -0.236 -0.676 1.00 0.00 C ATOM 754 CD GLN A 47 13.942 -0.270 0.832 1.00 0.00 C ATOM 755 OE1 GLN A 47 14.712 -1.044 1.371 1.00 0.00 O ATOM 756 NE2 GLN A 47 13.216 0.534 1.571 1.00 0.00 N ATOM 0 H GLN A 47 11.130 0.429 -3.301 1.00 0.00 H new ATOM 0 HA GLN A 47 12.649 -1.803 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.080 0.927 -1.420 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.644 -0.209 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.133 -1.152 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.309 0.591 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.568 1.186 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.299 0.507 2.587 1.00 0.00 H new ATOM 765 N CYS A 48 9.419 -1.144 -1.608 1.00 0.00 N ATOM 766 CA CYS A 48 8.120 -1.753 -1.377 1.00 0.00 C ATOM 767 C CYS A 48 7.877 -2.877 -2.352 1.00 0.00 C ATOM 768 O CYS A 48 7.508 -3.924 -1.896 1.00 0.00 O ATOM 769 CB CYS A 48 6.956 -0.765 -1.461 1.00 0.00 C ATOM 770 SG CYS A 48 5.327 -1.510 -1.735 1.00 0.00 S ATOM 0 H CYS A 48 9.364 -0.134 -1.743 1.00 0.00 H new ATOM 0 HA CYS A 48 8.154 -2.132 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.923 -0.188 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.156 -0.061 -2.269 1.00 0.00 H new ATOM 775 N CYS A 49 8.128 -2.729 -3.659 1.00 0.00 N ATOM 776 CA CYS A 49 7.961 -3.842 -4.598 1.00 0.00 C ATOM 777 C CYS A 49 8.738 -5.111 -4.191 1.00 0.00 C ATOM 778 O CYS A 49 8.491 -6.168 -4.748 1.00 0.00 O ATOM 779 CB CYS A 49 8.449 -3.431 -5.983 1.00 0.00 C ATOM 780 SG CYS A 49 7.440 -3.901 -7.412 1.00 0.00 S ATOM 0 H CYS A 49 8.444 -1.858 -4.086 1.00 0.00 H new ATOM 0 HA CYS A 49 6.896 -4.076 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.556 -2.346 -5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.445 -3.851 -6.125 1.00 0.00 H new ATOM 785 N ASN A 50 9.683 -5.000 -3.252 1.00 0.00 N ATOM 786 CA ASN A 50 10.379 -6.082 -2.569 1.00 0.00 C ATOM 787 C ASN A 50 9.895 -6.319 -1.138 1.00 0.00 C ATOM 788 O ASN A 50 9.634 -7.452 -0.775 1.00 0.00 O ATOM 789 CB ASN A 50 11.876 -5.755 -2.556 1.00 0.00 C ATOM 790 CG ASN A 50 12.588 -6.615 -3.558 1.00 0.00 C ATOM 791 OD1 ASN A 50 13.315 -7.543 -3.233 1.00 0.00 O ATOM 792 ND2 ASN A 50 12.360 -6.359 -4.819 1.00 0.00 N ATOM 0 H ASN A 50 10.000 -4.085 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 50 10.169 -7.002 -3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.030 -4.702 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.287 -5.923 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.790 -6.936 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.752 -5.583 -5.080 1.00 0.00 H new ATOM 799 N GLU A 51 9.761 -5.268 -0.333 1.00 0.00 N ATOM 800 CA GLU A 51 9.279 -5.267 1.043 1.00 0.00 C ATOM 801 C GLU A 51 7.842 -5.793 1.141 1.00 0.00 C ATOM 802 O GLU A 51 7.330 -6.107 2.197 1.00 0.00 O ATOM 803 CB GLU A 51 9.402 -3.858 1.683 1.00 0.00 C ATOM 804 CG GLU A 51 8.029 -3.221 1.993 1.00 0.00 C ATOM 805 CD GLU A 51 8.059 -1.807 2.537 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.118 -1.276 2.883 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.926 -1.222 2.631 1.00 0.00 O ATOM 0 H GLU A 51 10.004 -4.329 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 51 9.916 -5.948 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.980 -3.931 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.957 -3.205 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.435 -3.225 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.511 -3.855 2.713 1.00 0.00 H new ATOM 814 N LEU A 52 7.118 -5.825 0.036 1.00 0.00 N ATOM 815 CA LEU A 52 5.782 -6.371 -0.043 1.00 0.00 C ATOM 816 C LEU A 52 5.868 -7.835 -0.493 1.00 0.00 C ATOM 817 O LEU A 52 5.072 -8.665 -0.083 1.00 0.00 O ATOM 818 CB LEU A 52 4.948 -5.423 -0.920 1.00 0.00 C ATOM 819 CG LEU A 52 4.655 -5.848 -2.346 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.833 -6.222 -3.237 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.643 -6.970 -2.264 1.00 0.00 C ATOM 0 H LEU A 52 7.457 -5.460 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 52 5.264 -6.418 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.995 -5.256 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.462 -4.462 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 52 4.282 -4.962 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.467 -6.503 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.505 -5.369 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.370 -7.062 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.398 -7.313 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.062 -7.797 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.739 -6.610 -1.773 1.00 0.00 H new ATOM 833 N TYR A 53 6.872 -8.169 -1.308 1.00 0.00 N ATOM 834 CA TYR A 53 7.108 -9.474 -1.913 1.00 0.00 C ATOM 835 C TYR A 53 7.931 -10.358 -0.977 1.00 0.00 C ATOM 836 O TYR A 53 8.398 -11.429 -1.375 1.00 0.00 O ATOM 837 CB TYR A 53 7.824 -9.286 -3.265 1.00 0.00 C ATOM 838 CG TYR A 53 7.144 -9.955 -4.433 1.00 0.00 C ATOM 839 CD1 TYR A 53 6.965 -11.354 -4.439 1.00 0.00 C ATOM 840 CD2 TYR A 53 6.736 -9.198 -5.547 1.00 0.00 C ATOM 841 CE1 TYR A 53 6.402 -11.988 -5.552 1.00 0.00 C ATOM 842 CE2 TYR A 53 6.139 -9.830 -6.638 1.00 0.00 C ATOM 843 CZ TYR A 53 5.900 -11.222 -6.622 1.00 0.00 C ATOM 844 OH TYR A 53 5.180 -11.840 -7.593 1.00 0.00 O ATOM 0 H TYR A 53 7.584 -7.490 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 53 6.153 -9.972 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.907 -8.219 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.839 -9.674 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.264 -11.938 -3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.885 -8.128 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.352 -13.066 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.857 -9.249 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 53 4.710 -12.611 -7.211 1.00 0.00 H new ATOM 854 N GLN A 54 8.154 -9.890 0.249 1.00 0.00 N ATOM 855 CA GLN A 54 8.909 -10.586 1.272 1.00 0.00 C ATOM 856 C GLN A 54 8.002 -11.449 2.135 1.00 0.00 C ATOM 857 O GLN A 54 8.408 -12.536 2.534 1.00 0.00 O ATOM 858 CB GLN A 54 9.677 -9.580 2.131 1.00 0.00 C ATOM 859 CG GLN A 54 8.794 -8.699 3.025 1.00 0.00 C ATOM 860 CD GLN A 54 9.629 -7.720 3.843 1.00 0.00 C ATOM 861 OE1 GLN A 54 9.632 -6.511 3.754 1.00 0.00 O ATOM 862 NE2 GLN A 54 10.467 -8.241 4.697 1.00 0.00 N ATOM 0 H GLN A 54 7.800 -8.986 0.561 1.00 0.00 H new ATOM 0 HA GLN A 54 9.623 -11.248 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.382 -10.123 2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.265 -8.937 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.085 -8.147 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.210 -9.329 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.510 -9.253 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.078 -7.636 5.245 1.00 0.00 H new ATOM 871 N GLU A 55 6.786 -10.972 2.383 1.00 0.00 N ATOM 872 CA GLU A 55 5.804 -11.676 3.182 1.00 0.00 C ATOM 873 C GLU A 55 5.077 -12.723 2.346 1.00 0.00 C ATOM 874 O GLU A 55 4.067 -13.243 2.763 1.00 0.00 O ATOM 875 CB GLU A 55 4.847 -10.682 3.838 1.00 0.00 C ATOM 876 CG GLU A 55 5.558 -9.568 4.602 1.00 0.00 C ATOM 877 CD GLU A 55 4.638 -8.955 5.659 1.00 0.00 C ATOM 878 OE1 GLU A 55 4.080 -9.718 6.490 1.00 0.00 O ATOM 879 OE2 GLU A 55 4.415 -7.737 5.582 1.00 0.00 O ATOM 0 H GLU A 55 6.457 -10.074 2.028 1.00 0.00 H new ATOM 0 HA GLU A 55 6.312 -12.213 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.213 -10.238 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.190 -11.219 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.454 -9.964 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.884 -8.795 3.906 1.00 0.00 H new ATOM 886 N ASP A 56 5.567 -13.054 1.152 1.00 0.00 N ATOM 887 CA ASP A 56 4.969 -13.971 0.190 1.00 0.00 C ATOM 888 C ASP A 56 3.847 -13.268 -0.594 1.00 0.00 C ATOM 889 O ASP A 56 3.602 -12.069 -0.488 1.00 0.00 O ATOM 890 CB ASP A 56 4.426 -15.232 0.904 1.00 0.00 C ATOM 891 CG ASP A 56 4.321 -16.477 0.032 1.00 0.00 C ATOM 892 OD1 ASP A 56 4.787 -16.434 -1.129 1.00 0.00 O ATOM 893 OD2 ASP A 56 3.572 -17.400 0.432 1.00 0.00 O ATOM 0 H ASP A 56 6.446 -12.664 0.812 1.00 0.00 H new ATOM 0 HA ASP A 56 5.740 -14.283 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.072 -15.456 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.439 -15.005 1.306 1.00 0.00 H new ATOM 898 N GLN A 57 3.087 -14.033 -1.377 1.00 0.00 N ATOM 899 CA GLN A 57 1.947 -13.528 -2.143 1.00 0.00 C ATOM 900 C GLN A 57 0.667 -13.536 -1.338 1.00 0.00 C ATOM 901 O GLN A 57 -0.292 -12.809 -1.590 1.00 0.00 O ATOM 902 CB GLN A 57 1.795 -14.368 -3.411 1.00 0.00 C ATOM 903 CG GLN A 57 2.636 -13.807 -4.552 1.00 0.00 C ATOM 904 CD GLN A 57 3.993 -13.343 -4.073 1.00 0.00 C ATOM 905 OE1 GLN A 57 4.210 -12.179 -3.815 1.00 0.00 O ATOM 906 NE2 GLN A 57 4.913 -14.259 -3.881 1.00 0.00 N ATOM 0 H GLN A 57 3.247 -15.033 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 57 2.140 -12.488 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.095 -15.396 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.747 -14.395 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.763 -14.570 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.109 -12.973 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.715 -15.235 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.826 -13.995 -3.510 1.00 0.00 H new ATOM 915 N VAL A 58 0.636 -14.367 -0.315 1.00 0.00 N ATOM 916 CA VAL A 58 -0.519 -14.498 0.563 1.00 0.00 C ATOM 917 C VAL A 58 -0.596 -13.333 1.559 1.00 0.00 C ATOM 918 O VAL A 58 -1.570 -13.218 2.296 1.00 0.00 O ATOM 919 CB VAL A 58 -0.527 -15.886 1.224 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.952 -16.267 1.650 1.00 0.00 C ATOM 921 CG2 VAL A 58 0.124 -16.991 0.362 1.00 0.00 C ATOM 0 H VAL A 58 1.415 -14.976 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.433 -14.431 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 58 0.100 -15.810 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.941 -17.252 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.327 -15.532 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.600 -16.287 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.081 -17.941 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.413 -17.080 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.164 -16.733 0.165 1.00 0.00 H new ATOM 931 N CYS A 59 0.394 -12.440 1.513 1.00 0.00 N ATOM 932 CA CYS A 59 0.525 -11.205 2.270 1.00 0.00 C ATOM 933 C CYS A 59 0.598 -9.984 1.349 1.00 0.00 C ATOM 934 O CYS A 59 0.704 -8.843 1.805 1.00 0.00 O ATOM 935 CB CYS A 59 1.787 -11.283 3.097 1.00 0.00 C ATOM 936 SG CYS A 59 1.741 -12.410 4.519 1.00 0.00 S ATOM 0 H CYS A 59 1.190 -12.579 0.890 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.353 -11.091 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.606 -11.586 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.022 -10.282 3.460 1.00 0.00 H new ATOM 941 N VAL A 60 0.440 -10.201 0.043 1.00 0.00 N ATOM 942 CA VAL A 60 0.231 -9.125 -0.915 1.00 0.00 C ATOM 943 C VAL A 60 -1.179 -8.603 -0.844 1.00 0.00 C ATOM 944 O VAL A 60 -1.462 -7.527 -1.343 1.00 0.00 O ATOM 945 CB VAL A 60 0.550 -9.635 -2.316 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.067 -8.764 -3.415 1.00 0.00 C ATOM 947 CG2 VAL A 60 2.066 -9.700 -2.381 1.00 0.00 C ATOM 0 H VAL A 60 0.454 -11.130 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 60 0.896 -8.297 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 60 0.110 -10.616 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.192 -9.173 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.151 -8.751 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.319 -7.748 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.373 -10.060 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.480 -8.706 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.434 -10.381 -1.614 1.00 0.00 H new ATOM 957 N CYS A 61 -2.101 -9.349 -0.255 1.00 0.00 N ATOM 958 CA CYS A 61 -3.478 -8.956 -0.078 1.00 0.00 C ATOM 959 C CYS A 61 -4.302 -10.060 0.629 1.00 0.00 C ATOM 960 O CYS A 61 -3.819 -11.170 0.830 1.00 0.00 O ATOM 961 CB CYS A 61 -4.098 -8.491 -1.405 1.00 0.00 C ATOM 962 SG CYS A 61 -4.463 -6.725 -1.429 1.00 0.00 S ATOM 0 H CYS A 61 -1.898 -10.274 0.123 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.502 -8.095 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.415 -8.727 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.017 -9.049 -1.586 1.00 0.00 H new ATOM 967 N PRO A 62 -5.540 -9.749 1.026 1.00 0.00 N ATOM 968 CA PRO A 62 -6.025 -8.389 1.163 1.00 0.00 C ATOM 969 C PRO A 62 -5.293 -7.628 2.272 1.00 0.00 C ATOM 970 O PRO A 62 -5.619 -6.495 2.534 1.00 0.00 O ATOM 971 CB PRO A 62 -7.517 -8.463 1.416 1.00 0.00 C ATOM 972 CG PRO A 62 -7.714 -9.843 2.032 1.00 0.00 C ATOM 973 CD PRO A 62 -6.449 -10.651 1.709 1.00 0.00 C ATOM 0 HA PRO A 62 -5.827 -7.828 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.848 -7.673 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.085 -8.352 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.862 -9.769 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.599 -10.328 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.995 -11.040 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.688 -11.509 1.080 1.00 0.00 H new ATOM 981 N THR A 63 -4.285 -8.179 2.925 1.00 0.00 N ATOM 982 CA THR A 63 -3.367 -7.479 3.823 1.00 0.00 C ATOM 983 C THR A 63 -2.928 -6.086 3.391 1.00 0.00 C ATOM 984 O THR A 63 -3.104 -5.149 4.158 1.00 0.00 O ATOM 985 CB THR A 63 -2.116 -8.316 3.935 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.707 -8.593 2.631 1.00 0.00 O ATOM 987 CG2 THR A 63 -2.383 -9.648 4.591 1.00 0.00 C ATOM 0 H THR A 63 -4.069 -9.173 2.844 1.00 0.00 H new ATOM 0 HA THR A 63 -3.920 -7.345 4.753 1.00 0.00 H new ATOM 0 HB THR A 63 -1.381 -7.772 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.793 -8.266 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.455 -10.217 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.775 -9.487 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.112 -10.204 4.002 1.00 0.00 H new ATOM 995 N LEU A 64 -2.466 -5.885 2.157 1.00 0.00 N ATOM 996 CA LEU A 64 -2.114 -4.560 1.642 1.00 0.00 C ATOM 997 C LEU A 64 -3.268 -3.573 1.783 1.00 0.00 C ATOM 998 O LEU A 64 -3.055 -2.420 2.150 1.00 0.00 O ATOM 999 CB LEU A 64 -1.720 -4.706 0.175 1.00 0.00 C ATOM 1000 CG LEU A 64 -0.352 -4.102 -0.172 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.352 -4.968 -1.211 1.00 0.00 C ATOM 1002 CD2 LEU A 64 -0.492 -2.667 -0.689 1.00 0.00 C ATOM 0 H LEU A 64 -2.325 -6.638 1.484 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.283 -4.163 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.714 -5.765 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.482 -4.231 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 64 0.246 -4.074 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.322 -4.532 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.495 -5.972 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.256 -5.020 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.494 -2.268 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.110 -2.662 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.960 -2.048 0.077 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.505 -4.060 1.589 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.742 -3.305 1.807 1.00 0.00 C ATOM 1016 C LYS A 65 -5.764 -2.686 3.200 1.00 0.00 C ATOM 1017 O LYS A 65 -6.273 -1.574 3.342 1.00 0.00 O ATOM 1018 CB LYS A 65 -6.982 -4.193 1.620 1.00 0.00 C ATOM 1019 CG LYS A 65 -8.255 -3.368 1.487 1.00 0.00 C ATOM 1020 CD LYS A 65 -9.110 -3.435 2.767 1.00 0.00 C ATOM 1021 CE LYS A 65 -10.014 -4.671 2.772 1.00 0.00 C ATOM 1022 NZ LYS A 65 -9.696 -5.601 3.888 1.00 0.00 N ATOM 0 H LYS A 65 -4.672 -5.014 1.268 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.768 -2.510 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.855 -4.811 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.075 -4.870 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.997 -2.330 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.838 -3.731 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.459 -3.456 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.721 -2.536 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.055 -4.356 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.910 -5.197 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.334 -6.421 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.711 -5.924 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.820 -5.109 4.796 1.00 0.00 H new ATOM 1036 N GLN A 66 -5.287 -3.383 4.229 1.00 0.00 N ATOM 1037 CA GLN A 66 -5.133 -2.833 5.577 1.00 0.00 C ATOM 1038 C GLN A 66 -4.186 -1.647 5.608 1.00 0.00 C ATOM 1039 O GLN A 66 -4.607 -0.575 6.021 1.00 0.00 O ATOM 1040 CB GLN A 66 -4.587 -3.871 6.554 1.00 0.00 C ATOM 1041 CG GLN A 66 -5.487 -4.094 7.768 1.00 0.00 C ATOM 1042 CD GLN A 66 -6.161 -5.450 7.662 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -7.374 -5.568 7.590 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -5.387 -6.506 7.503 1.00 0.00 N ATOM 0 H GLN A 66 -4.993 -4.357 4.151 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.134 -2.520 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.455 -4.818 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.601 -3.555 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.899 -4.040 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.239 -3.307 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.373 -6.409 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.802 -7.420 7.320 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.944 -1.820 5.154 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.979 -0.742 5.036 1.00 0.00 C ATOM 1055 C ALA A 67 -2.535 0.393 4.181 1.00 0.00 C ATOM 1056 O ALA A 67 -2.121 1.510 4.381 1.00 0.00 O ATOM 1057 CB ALA A 67 -0.672 -1.278 4.438 1.00 0.00 C ATOM 0 H ALA A 67 -2.582 -2.726 4.856 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.776 -0.344 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.049 -0.465 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.267 -2.055 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.868 -1.696 3.450 1.00 0.00 H new ATOM 1063 N ALA A 68 -3.506 0.139 3.299 1.00 0.00 N ATOM 1064 CA ALA A 68 -4.228 1.115 2.500 1.00 0.00 C ATOM 1065 C ALA A 68 -5.221 1.891 3.380 1.00 0.00 C ATOM 1066 O ALA A 68 -5.249 3.123 3.437 1.00 0.00 O ATOM 1067 CB ALA A 68 -4.932 0.389 1.346 1.00 0.00 C ATOM 0 H ALA A 68 -3.823 -0.813 3.118 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.536 1.844 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.477 1.112 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.190 -0.117 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.629 -0.345 1.750 1.00 0.00 H new ATOM 1073 N LYS A 69 -6.044 1.188 4.160 1.00 0.00 N ATOM 1074 CA LYS A 69 -6.973 1.823 5.097 1.00 0.00 C ATOM 1075 C LYS A 69 -6.253 2.510 6.256 1.00 0.00 C ATOM 1076 O LYS A 69 -6.756 3.516 6.735 1.00 0.00 O ATOM 1077 CB LYS A 69 -7.987 0.807 5.627 1.00 0.00 C ATOM 1078 CG LYS A 69 -9.396 1.426 5.733 1.00 0.00 C ATOM 1079 CD LYS A 69 -10.307 0.939 4.606 1.00 0.00 C ATOM 1080 CE LYS A 69 -11.788 1.188 4.845 1.00 0.00 C ATOM 1081 NZ LYS A 69 -12.604 0.287 3.991 1.00 0.00 N ATOM 0 H LYS A 69 -6.086 0.169 4.161 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.502 2.597 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.017 -0.059 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.669 0.450 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.837 1.168 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.321 2.513 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.013 1.431 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.149 -0.130 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.027 1.021 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.030 2.228 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.614 0.466 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.386 0.466 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.384 -0.703 4.221 1.00 0.00 H new ATOM 1095 N SER A 70 -5.034 2.087 6.574 1.00 0.00 N ATOM 1096 CA SER A 70 -4.132 2.665 7.570 1.00 0.00 C ATOM 1097 C SER A 70 -2.998 3.438 6.915 1.00 0.00 C ATOM 1098 O SER A 70 -2.081 3.912 7.570 1.00 0.00 O ATOM 1099 CB SER A 70 -3.660 1.564 8.535 1.00 0.00 C ATOM 1100 OG SER A 70 -2.803 1.980 9.581 1.00 0.00 O ATOM 0 H SER A 70 -4.620 1.277 6.113 1.00 0.00 H new ATOM 0 HA SER A 70 -4.667 3.405 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.539 1.095 8.977 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.147 0.796 7.956 1.00 0.00 H new ATOM 0 HG SER A 70 -2.286 2.760 9.290 1.00 0.00 H new ATOM 1106 N VAL A 71 -3.114 3.714 5.611 1.00 0.00 N ATOM 1107 CA VAL A 71 -2.042 4.393 4.873 1.00 0.00 C ATOM 1108 C VAL A 71 -1.942 5.840 5.303 1.00 0.00 C ATOM 1109 O VAL A 71 -0.919 6.493 5.157 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.261 4.256 3.354 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -2.885 5.443 2.681 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -1.001 3.951 2.602 1.00 0.00 C ATOM 0 H VAL A 71 -3.932 3.480 5.049 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.091 3.915 5.108 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.961 3.421 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.994 5.241 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.866 5.634 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.249 6.317 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.223 3.867 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.280 4.753 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.582 3.011 2.960 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.530 10.595 1.065 1.00 0.00 N ATOM 1263 CA GLN A 81 -9.373 9.866 1.542 1.00 0.00 C ATOM 1264 C GLN A 81 -9.257 8.468 0.927 1.00 0.00 C ATOM 1265 O GLN A 81 -8.469 8.341 0.038 1.00 0.00 O ATOM 1266 CB GLN A 81 -9.360 9.808 3.056 1.00 0.00 C ATOM 1267 CG GLN A 81 -10.674 9.290 3.644 1.00 0.00 C ATOM 1268 CD GLN A 81 -11.075 10.080 4.857 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -10.353 10.135 5.822 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -12.204 10.734 4.817 1.00 0.00 N ATOM 0 HA GLN A 81 -8.493 10.417 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.543 9.165 3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.159 10.804 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.461 9.349 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.567 8.239 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.799 10.674 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.491 11.306 5.612 1.00 0.00 H new ATOM 1279 N SER A 82 -10.043 7.457 1.308 1.00 0.00 N ATOM 1280 CA SER A 82 -10.172 6.150 0.663 1.00 0.00 C ATOM 1281 C SER A 82 -10.517 6.243 -0.807 1.00 0.00 C ATOM 1282 O SER A 82 -9.820 5.556 -1.540 1.00 0.00 O ATOM 1283 CB SER A 82 -11.215 5.303 1.365 1.00 0.00 C ATOM 1284 OG SER A 82 -10.634 4.220 2.062 1.00 0.00 O ATOM 0 H SER A 82 -10.644 7.536 2.128 1.00 0.00 H new ATOM 0 HA SER A 82 -9.191 5.681 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.777 5.924 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.927 4.923 0.632 1.00 0.00 H new ATOM 0 HG SER A 82 -10.027 3.735 1.465 1.00 0.00 H new ATOM 1290 N THR A 83 -11.438 7.120 -1.246 1.00 0.00 N ATOM 1291 CA THR A 83 -11.745 7.297 -2.681 1.00 0.00 C ATOM 1292 C THR A 83 -10.503 7.457 -3.555 1.00 0.00 C ATOM 1293 O THR A 83 -10.570 7.207 -4.748 1.00 0.00 O ATOM 1294 CB THR A 83 -12.664 8.517 -2.905 1.00 0.00 C ATOM 1295 OG1 THR A 83 -13.748 8.121 -3.689 1.00 0.00 O ATOM 1296 CG2 THR A 83 -12.064 9.729 -3.648 1.00 0.00 C ATOM 0 H THR A 83 -11.985 7.719 -0.628 1.00 0.00 H new ATOM 0 HA THR A 83 -12.249 6.378 -2.981 1.00 0.00 H new ATOM 0 HB THR A 83 -12.898 8.843 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.341 8.887 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.818 10.512 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.208 10.110 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.742 9.423 -4.643 1.00 0.00 H new ATOM 1304 N ARG A 84 -9.378 7.900 -2.963 1.00 0.00 N ATOM 1305 CA ARG A 84 -8.092 8.069 -3.622 1.00 0.00 C ATOM 1306 C ARG A 84 -6.983 7.210 -3.050 1.00 0.00 C ATOM 1307 O ARG A 84 -6.209 6.646 -3.796 1.00 0.00 O ATOM 1308 CB ARG A 84 -7.657 9.534 -3.545 1.00 0.00 C ATOM 1309 CG ARG A 84 -7.095 9.919 -4.909 1.00 0.00 C ATOM 1310 CD ARG A 84 -8.222 10.422 -5.812 1.00 0.00 C ATOM 1311 NE ARG A 84 -7.769 10.498 -7.210 1.00 0.00 N ATOM 1312 CZ ARG A 84 -7.064 11.470 -7.758 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -6.693 12.511 -7.067 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -6.704 11.401 -9.003 1.00 0.00 N ATOM 0 H ARG A 84 -9.351 8.156 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.247 7.748 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.502 10.171 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.904 9.670 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.336 10.693 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.606 9.059 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.080 9.754 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.553 11.405 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.026 9.720 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.947 12.586 -6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.149 13.250 -7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.966 10.591 -9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.159 12.156 -9.419 1.00 0.00 H new ATOM 1328 N ILE A 85 -6.884 7.153 -1.726 1.00 0.00 N ATOM 1329 CA ILE A 85 -5.982 6.318 -0.940 1.00 0.00 C ATOM 1330 C ILE A 85 -5.948 4.901 -1.489 1.00 0.00 C ATOM 1331 O ILE A 85 -4.890 4.296 -1.546 1.00 0.00 O ATOM 1332 CB ILE A 85 -6.352 6.366 0.573 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -5.829 7.633 1.270 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -5.891 5.122 1.333 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -4.346 7.795 1.116 1.00 0.00 C ATOM 0 H ILE A 85 -7.476 7.732 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.971 6.717 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.441 6.391 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.333 8.507 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.080 7.592 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.175 5.210 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.361 4.238 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.808 5.030 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.024 8.704 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.839 6.935 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.096 7.864 0.057 1.00 0.00 H new ATOM 1347 N TYR A 86 -7.098 4.424 -1.950 1.00 0.00 N ATOM 1348 CA TYR A 86 -7.254 3.158 -2.640 1.00 0.00 C ATOM 1349 C TYR A 86 -7.070 3.294 -4.137 1.00 0.00 C ATOM 1350 O TYR A 86 -6.360 2.489 -4.714 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.652 2.629 -2.373 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.760 1.888 -1.079 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.496 2.515 0.154 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -9.112 0.530 -1.124 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -8.546 1.779 1.338 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -9.199 -0.206 0.051 1.00 0.00 C ATOM 1357 CZ TYR A 86 -8.892 0.411 1.283 1.00 0.00 C ATOM 1358 OH TYR A 86 -8.892 -0.321 2.408 1.00 0.00 O ATOM 0 H TYR A 86 -7.978 4.930 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.488 2.478 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.355 3.462 -2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.946 1.969 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.254 3.567 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.315 0.057 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.323 2.249 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.499 -1.243 0.022 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.981 -0.630 2.597 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.643 4.319 -4.770 1.00 0.00 N ATOM 1369 CA GLN A 87 -7.483 4.541 -6.214 1.00 0.00 C ATOM 1370 C GLN A 87 -6.017 4.626 -6.658 1.00 0.00 C ATOM 1371 O GLN A 87 -5.663 4.365 -7.807 1.00 0.00 O ATOM 1372 CB GLN A 87 -8.236 5.797 -6.643 1.00 0.00 C ATOM 1373 CG GLN A 87 -9.146 5.582 -7.853 1.00 0.00 C ATOM 1374 CD GLN A 87 -8.470 5.566 -9.201 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -7.324 5.928 -9.415 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -9.144 5.083 -10.214 1.00 0.00 N ATOM 0 H GLN A 87 -8.226 5.014 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.907 3.667 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.836 6.154 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.515 6.581 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.672 4.636 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.901 6.368 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.105 4.768 -10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.708 5.022 -11.134 1.00 0.00 H new ATOM 1385 N ILE A 88 -5.119 4.937 -5.736 1.00 0.00 N ATOM 1386 CA ILE A 88 -3.684 4.982 -5.944 1.00 0.00 C ATOM 1387 C ILE A 88 -3.048 3.658 -5.530 1.00 0.00 C ATOM 1388 O ILE A 88 -2.149 3.169 -6.217 1.00 0.00 O ATOM 1389 CB ILE A 88 -3.150 6.192 -5.165 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -3.487 7.488 -5.937 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -1.643 6.090 -4.982 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -3.556 8.710 -5.018 1.00 0.00 C ATOM 0 H ILE A 88 -5.385 5.175 -4.780 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.428 5.108 -6.996 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.621 6.211 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.733 7.657 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.442 7.366 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.284 6.957 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.404 5.182 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.159 6.058 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.795 9.595 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.328 8.556 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.593 8.851 -4.527 1.00 0.00 H new ATOM 1404 N ALA A 89 -3.552 3.046 -4.459 1.00 0.00 N ATOM 1405 CA ALA A 89 -3.112 1.741 -4.004 1.00 0.00 C ATOM 1406 C ALA A 89 -3.712 0.587 -4.826 1.00 0.00 C ATOM 1407 O ALA A 89 -3.512 -0.575 -4.502 1.00 0.00 O ATOM 1408 CB ALA A 89 -3.396 1.606 -2.507 1.00 0.00 C ATOM 0 H ALA A 89 -4.286 3.453 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.036 1.666 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.067 0.626 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.858 2.383 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.466 1.713 -2.329 1.00 0.00 H new ATOM 1414 N LYS A 90 -4.413 0.905 -5.921 1.00 0.00 N ATOM 1415 CA LYS A 90 -5.032 -0.048 -6.842 1.00 0.00 C ATOM 1416 C LYS A 90 -4.172 -0.317 -8.052 1.00 0.00 C ATOM 1417 O LYS A 90 -4.197 -1.394 -8.612 1.00 0.00 O ATOM 1418 CB LYS A 90 -6.410 0.471 -7.248 1.00 0.00 C ATOM 1419 CG LYS A 90 -6.418 1.613 -8.245 1.00 0.00 C ATOM 1420 CD LYS A 90 -6.987 1.258 -9.600 1.00 0.00 C ATOM 1421 CE LYS A 90 -7.434 2.511 -10.334 1.00 0.00 C ATOM 1422 NZ LYS A 90 -6.346 3.522 -10.418 1.00 0.00 N ATOM 0 H LYS A 90 -4.569 1.874 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.139 -1.003 -6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.980 -0.357 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.935 0.795 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.994 2.439 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.397 1.971 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.236 0.732 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.831 0.579 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.762 2.246 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.294 2.944 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.471 4.096 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.379 4.138 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.426 3.039 -10.456 1.00 0.00 H new ATOM 1436 N ASN A 91 -3.379 0.685 -8.438 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.364 0.574 -9.468 1.00 0.00 C ATOM 1438 C ASN A 91 -1.040 0.076 -8.891 1.00 0.00 C ATOM 1439 O ASN A 91 -0.047 -0.001 -9.592 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.238 1.910 -10.217 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.881 1.838 -11.581 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.194 1.793 -11.629 1.00 0.00 O flip ATOM 1443 ND2 ASN A 91 -2.242 1.761 -12.604 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.433 1.617 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.666 -0.178 -10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.707 2.702 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.185 2.172 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.223 1.795 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.722 1.662 -13.499 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.998 -0.277 -7.613 1.00 0.00 N ATOM 1451 CA LEU A 92 0.176 -0.872 -6.992 1.00 0.00 C ATOM 1452 C LEU A 92 0.420 -2.280 -7.530 1.00 0.00 C ATOM 1453 O LEU A 92 1.419 -2.476 -8.213 1.00 0.00 O ATOM 1454 CB LEU A 92 0.007 -0.853 -5.471 1.00 0.00 C ATOM 1455 CG LEU A 92 0.790 0.285 -4.829 1.00 0.00 C ATOM 1456 CD1 LEU A 92 0.181 0.628 -3.461 1.00 0.00 C ATOM 1457 CD2 LEU A 92 2.281 -0.059 -4.724 1.00 0.00 C ATOM 0 H LEU A 92 -1.784 -0.157 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 92 1.061 -0.287 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.050 -0.752 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.342 -1.804 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 92 0.717 1.168 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.744 1.442 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.857 0.933 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.223 -0.248 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.814 0.772 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.406 -0.954 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.684 -0.239 -5.721 1.00 0.00 H new ATOM 1469 N PRO A 93 -0.500 -3.234 -7.335 1.00 0.00 N ATOM 1470 CA PRO A 93 -0.358 -4.584 -7.861 1.00 0.00 C ATOM 1471 C PRO A 93 -0.503 -4.670 -9.392 1.00 0.00 C ATOM 1472 O PRO A 93 -0.363 -5.762 -9.936 1.00 0.00 O ATOM 1473 CB PRO A 93 -1.441 -5.383 -7.142 1.00 0.00 C ATOM 1474 CG PRO A 93 -2.497 -4.403 -6.664 1.00 0.00 C ATOM 1475 CD PRO A 93 -1.827 -3.051 -6.759 1.00 0.00 C ATOM 0 HA PRO A 93 0.645 -4.971 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.880 -6.121 -7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.017 -5.930 -6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.391 -4.448 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.808 -4.621 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.419 -2.377 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.752 -2.595 -5.772 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.745 -3.547 -10.072 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.811 -3.475 -11.526 1.00 0.00 C ATOM 1485 C ASN A 94 0.550 -3.134 -12.118 1.00 0.00 C ATOM 1486 O ASN A 94 0.883 -3.599 -13.198 1.00 0.00 O ATOM 1487 CB ASN A 94 -1.830 -2.408 -11.928 1.00 0.00 C ATOM 1488 CG ASN A 94 -3.232 -2.716 -11.460 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -4.100 -1.743 -11.539 1.00 0.00 O flip ATOM 1490 ND2 ASN A 94 -3.563 -3.786 -10.980 1.00 0.00 N flip ATOM 0 H ASN A 94 -0.903 -2.649 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.115 -4.448 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.520 -1.447 -11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.831 -2.306 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -2.887 -4.548 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.516 -3.920 -10.641 1.00 0.00 H new ATOM 1497 N VAL A 95 1.350 -2.359 -11.384 1.00 0.00 N ATOM 1498 CA VAL A 95 2.668 -1.882 -11.813 1.00 0.00 C ATOM 1499 C VAL A 95 3.790 -2.562 -11.025 1.00 0.00 C ATOM 1500 O VAL A 95 4.939 -2.544 -11.432 1.00 0.00 O ATOM 1501 CB VAL A 95 2.755 -0.351 -11.678 1.00 0.00 C ATOM 1502 CG1 VAL A 95 3.985 0.184 -12.424 1.00 0.00 C ATOM 1503 CG2 VAL A 95 1.516 0.377 -12.223 1.00 0.00 C ATOM 0 H VAL A 95 1.094 -2.037 -10.451 1.00 0.00 H new ATOM 0 HA VAL A 95 2.796 -2.146 -12.863 1.00 0.00 H new ATOM 0 HB VAL A 95 2.826 -0.153 -10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.032 1.268 -12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.887 -0.261 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.911 -0.075 -13.480 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.641 1.452 -12.098 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.395 0.147 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.632 0.049 -11.677 1.00 0.00 H new ATOM 1513 N CYS A 96 3.435 -3.234 -9.936 1.00 0.00 N ATOM 1514 CA CYS A 96 4.287 -4.022 -9.065 1.00 0.00 C ATOM 1515 C CYS A 96 3.676 -5.412 -8.908 1.00 0.00 C ATOM 1516 O CYS A 96 3.733 -5.965 -7.836 1.00 0.00 O ATOM 1517 CB CYS A 96 4.513 -3.275 -7.728 1.00 0.00 C ATOM 1518 SG CYS A 96 6.074 -2.377 -7.627 1.00 0.00 S ATOM 0 H CYS A 96 2.466 -3.240 -9.618 1.00 0.00 H new ATOM 0 HA CYS A 96 5.279 -4.158 -9.497 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.694 -2.572 -7.576 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.470 -3.996 -6.912 1.00 0.00 H new ATOM 1523 N ASN A 97 3.030 -5.974 -9.947 1.00 0.00 N ATOM 1524 CA ASN A 97 2.470 -7.335 -9.943 1.00 0.00 C ATOM 1525 C ASN A 97 3.129 -8.282 -8.948 1.00 0.00 C ATOM 1526 O ASN A 97 4.255 -8.698 -9.156 1.00 0.00 O ATOM 1527 CB ASN A 97 2.594 -7.994 -11.313 1.00 0.00 C ATOM 1528 CG ASN A 97 1.422 -7.663 -12.178 1.00 0.00 C ATOM 1529 OD1 ASN A 97 0.457 -8.421 -12.199 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.433 -6.511 -12.788 1.00 0.00 N ATOM 0 H ASN A 97 2.881 -5.484 -10.829 1.00 0.00 H new ATOM 0 HA ASN A 97 1.430 -7.185 -9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.512 -7.662 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.668 -9.075 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.614 -6.204 -13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.261 -5.917 -12.740 1.00 0.00 H new ATOM 1537 N MET A 98 2.399 -8.601 -7.889 1.00 0.00 N ATOM 1538 CA MET A 98 2.929 -9.301 -6.730 1.00 0.00 C ATOM 1539 C MET A 98 1.986 -10.366 -6.238 1.00 0.00 C ATOM 1540 O MET A 98 1.868 -10.673 -5.085 1.00 0.00 O ATOM 1541 CB MET A 98 3.360 -8.304 -5.656 1.00 0.00 C ATOM 1542 CG MET A 98 2.308 -7.230 -5.334 1.00 0.00 C ATOM 1543 SD MET A 98 2.939 -5.544 -5.177 1.00 0.00 S ATOM 1544 CE MET A 98 1.718 -4.793 -4.117 1.00 0.00 C ATOM 0 H MET A 98 1.407 -8.377 -7.811 1.00 0.00 H new ATOM 0 HA MET A 98 3.828 -9.842 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.596 -8.850 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.277 -7.812 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.549 -7.244 -6.116 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.811 -7.501 -4.403 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.217 -4.224 -3.333 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.088 -4.125 -4.704 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.101 -5.570 -3.665 1.00 0.00 H new ATOM 1554 N LYS A 99 1.158 -10.875 -7.132 1.00 0.00 N ATOM 1555 CA LYS A 99 0.088 -11.801 -6.814 1.00 0.00 C ATOM 1556 C LYS A 99 -0.348 -12.500 -8.061 1.00 0.00 C ATOM 1557 O LYS A 99 -1.525 -12.510 -8.345 1.00 0.00 O ATOM 1558 CB LYS A 99 -1.077 -11.122 -6.071 1.00 0.00 C ATOM 1559 CG LYS A 99 -1.929 -10.084 -6.818 1.00 0.00 C ATOM 1560 CD LYS A 99 -1.205 -8.762 -7.049 1.00 0.00 C ATOM 1561 CE LYS A 99 -1.240 -8.318 -8.524 1.00 0.00 C ATOM 1562 NZ LYS A 99 -0.853 -9.362 -9.513 1.00 0.00 N ATOM 0 H LYS A 99 1.213 -10.649 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 99 0.467 -12.548 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.747 -11.907 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.665 -10.636 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.232 -10.497 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.841 -9.897 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.661 -7.989 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.168 -8.859 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.247 -7.974 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.575 -7.463 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.405 -8.911 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.182 -10.025 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.701 -9.880 -9.820 1.00 0.00 H new ATOM 1576 N GLN A 100 0.589 -12.951 -8.888 1.00 0.00 N ATOM 1577 CA GLN A 100 0.253 -13.606 -10.155 1.00 0.00 C ATOM 1578 C GLN A 100 -0.952 -14.557 -10.058 1.00 0.00 C ATOM 1579 O GLN A 100 -1.778 -14.556 -10.953 1.00 0.00 O ATOM 1580 CB GLN A 100 1.480 -14.366 -10.651 1.00 0.00 C ATOM 1581 CG GLN A 100 1.346 -14.669 -12.150 1.00 0.00 C ATOM 1582 CD GLN A 100 1.128 -16.153 -12.397 1.00 0.00 C ATOM 1583 OE1 GLN A 100 0.033 -16.676 -12.359 1.00 0.00 O ATOM 1584 NE2 GLN A 100 2.189 -16.891 -12.605 1.00 0.00 N ATOM 0 H GLN A 100 1.590 -12.877 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.038 -12.826 -10.858 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.379 -13.777 -10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.591 -15.296 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.512 -14.103 -12.564 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.245 -14.340 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.112 -16.459 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.092 -17.898 -12.734 1.00 0.00 H new ATOM 1593 N ILE A 101 -1.081 -15.226 -8.898 1.00 0.00 N ATOM 1594 CA ILE A 101 -2.264 -15.987 -8.510 1.00 0.00 C ATOM 1595 C ILE A 101 -3.575 -15.189 -8.641 1.00 0.00 C ATOM 1596 O ILE A 101 -4.465 -15.599 -9.370 1.00 0.00 O ATOM 1597 CB ILE A 101 -2.037 -16.573 -7.099 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -3.145 -17.595 -6.782 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -1.911 -15.527 -5.968 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -2.888 -18.932 -7.486 1.00 0.00 C ATOM 0 H ILE A 101 -0.344 -15.248 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.397 -16.810 -9.212 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.063 -17.061 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.199 -17.753 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.110 -17.197 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.754 -16.036 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.065 -14.870 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.825 -14.935 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.688 -19.631 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.859 -18.776 -8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.934 -19.341 -7.153 1.00 0.00 H new ATOM 1612 N GLY A 102 -3.710 -14.084 -7.904 1.00 0.00 N ATOM 1613 CA GLY A 102 -4.864 -13.197 -7.910 1.00 0.00 C ATOM 1614 C GLY A 102 -5.391 -12.992 -6.505 1.00 0.00 C ATOM 1615 O GLY A 102 -6.406 -13.551 -6.124 1.00 0.00 O ATOM 0 H GLY A 102 -2.983 -13.774 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.588 -12.236 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.648 -13.617 -8.540 1.00 0.00 H new ATOM 1619 N THR A 103 -4.667 -12.218 -5.705 1.00 0.00 N ATOM 1620 CA THR A 103 -5.028 -11.981 -4.308 1.00 0.00 C ATOM 1621 C THR A 103 -6.175 -10.985 -4.164 1.00 0.00 C ATOM 1622 O THR A 103 -7.306 -11.382 -3.914 1.00 0.00 O ATOM 1623 CB THR A 103 -3.792 -11.533 -3.557 1.00 0.00 C ATOM 1624 OG1 THR A 103 -2.772 -12.466 -3.756 1.00 0.00 O ATOM 1625 CG2 THR A 103 -4.019 -11.555 -2.079 1.00 0.00 C ATOM 0 H THR A 103 -3.817 -11.738 -6.002 1.00 0.00 H new ATOM 0 HA THR A 103 -5.397 -12.911 -3.876 1.00 0.00 H new ATOM 0 HB THR A 103 -3.549 -10.532 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.134 -12.417 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.114 -11.228 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.841 -10.884 -1.827 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.268 -12.568 -1.764 1.00 0.00 H new ATOM 1633 N CYS A 104 -5.908 -9.683 -4.330 1.00 0.00 N ATOM 1634 CA CYS A 104 -6.933 -8.645 -4.400 1.00 0.00 C ATOM 1635 C CYS A 104 -6.813 -7.936 -5.763 1.00 0.00 C ATOM 1636 O CYS A 104 -6.301 -6.822 -5.858 1.00 0.00 O ATOM 1637 CB CYS A 104 -6.825 -7.710 -3.179 1.00 0.00 C ATOM 1638 SG CYS A 104 -5.390 -6.581 -3.199 1.00 0.00 S ATOM 0 H CYS A 104 -4.959 -9.321 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.937 -9.066 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.736 -7.115 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.777 -8.319 -2.276 1.00 0.00 H new ATOM 1643 N PRO A 105 -7.215 -8.565 -6.874 1.00 0.00 N ATOM 1644 CA PRO A 105 -7.211 -7.935 -8.199 1.00 0.00 C ATOM 1645 C PRO A 105 -8.338 -6.888 -8.334 1.00 0.00 C ATOM 1646 O PRO A 105 -9.113 -6.873 -9.287 1.00 0.00 O ATOM 1647 CB PRO A 105 -7.301 -9.091 -9.204 1.00 0.00 C ATOM 1648 CG PRO A 105 -7.911 -10.257 -8.427 1.00 0.00 C ATOM 1649 CD PRO A 105 -7.772 -9.904 -6.951 1.00 0.00 C ATOM 0 HA PRO A 105 -6.305 -7.357 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.921 -8.821 -10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.317 -9.351 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.958 -10.399 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.394 -11.189 -8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.741 -9.945 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.123 -10.619 -6.445 1.00 0.00 H new ATOM 1657 N PHE A 106 -8.452 -6.011 -7.337 1.00 0.00 N ATOM 1658 CA PHE A 106 -9.386 -4.910 -7.288 1.00 0.00 C ATOM 1659 C PHE A 106 -8.845 -3.753 -8.104 1.00 0.00 C ATOM 1660 O PHE A 106 -7.632 -3.644 -8.269 1.00 0.00 O ATOM 1661 CB PHE A 106 -9.581 -4.468 -5.829 1.00 0.00 C ATOM 1662 CG PHE A 106 -8.738 -3.287 -5.400 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -7.423 -3.447 -4.914 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -9.223 -1.977 -5.591 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -6.662 -2.338 -4.544 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -8.463 -0.871 -5.235 1.00 0.00 C ATOM 1667 CZ PHE A 106 -7.191 -1.040 -4.652 1.00 0.00 C ATOM 0 H PHE A 106 -7.862 -6.060 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.344 -5.226 -7.700 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.631 -4.219 -5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.356 -5.312 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.002 -4.438 -4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.203 -1.831 -6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.658 -2.478 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.848 0.123 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.633 -0.187 -4.295 1.00 0.00 H new ATOM 1677 N ILE A 107 -9.757 -2.860 -8.499 1.00 0.00 N ATOM 1678 CA ILE A 107 -9.478 -1.679 -9.314 1.00 0.00 C ATOM 1679 C ILE A 107 -10.737 -0.926 -9.738 1.00 0.00 C ATOM 1680 O ILE A 107 -10.676 0.300 -9.810 1.00 0.00 O ATOM 1681 CB ILE A 107 -8.688 -2.042 -10.597 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -9.003 -3.466 -11.124 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -7.172 -1.833 -10.433 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -8.994 -3.582 -12.640 1.00 0.00 C ATOM 0 H ILE A 107 -10.743 -2.944 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 107 -8.883 -1.033 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.036 -1.342 -11.356 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.274 -4.164 -10.712 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.981 -3.771 -10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.665 -2.102 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.972 -0.787 -10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.804 -2.462 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.223 -4.608 -12.928 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.743 -2.911 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.009 -3.310 -13.020 1.00 0.00 H new ATOM 1696 N ALA A 108 -11.822 -1.657 -10.029 1.00 0.00 N ATOM 1697 CA ALA A 108 -13.163 -1.142 -10.324 1.00 0.00 C ATOM 1698 C ALA A 108 -13.836 -0.599 -9.048 1.00 0.00 C ATOM 1699 O ALA A 108 -14.857 -1.114 -8.592 1.00 0.00 O ATOM 1700 CB ALA A 108 -13.977 -2.246 -11.033 1.00 0.00 C ATOM 0 H ALA A 108 -11.784 -2.676 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.104 -0.291 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.977 -1.874 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -13.478 -2.527 -11.960 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.052 -3.117 -10.383 1.00 0.00 H new ATOM 1706 N ILE A 109 -13.158 0.345 -8.394 1.00 0.00 N ATOM 1707 CA ILE A 109 -13.662 1.048 -7.218 1.00 0.00 C ATOM 1708 C ILE A 109 -14.644 2.178 -7.580 1.00 0.00 C ATOM 1709 O ILE A 109 -15.081 2.198 -8.767 1.00 0.00 O ATOM 1710 CB ILE A 109 -12.483 1.528 -6.354 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -11.686 2.677 -7.006 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -11.544 0.369 -6.006 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -11.181 3.659 -5.944 1.00 0.00 C ATOM 1714 OXT ILE A 109 -14.821 3.047 -6.707 1.00 0.00 O ATOM 0 H ILE A 109 -12.225 0.647 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 109 -14.250 0.348 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 109 -12.923 1.920 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.842 2.270 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.317 3.202 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.721 0.739 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.094 -0.391 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.148 -0.066 -6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.622 4.461 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.030 4.081 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.532 3.135 -5.243 1.00 0.00 H new