USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.058 USER MOD Set 1.2: A 100 THR OG1 : rot -66:sc= 0.0563 USER MOD Set 2.1: A 39 SER OG : rot -160:sc= -1.72! USER MOD Set 2.2: A 86 ASN : amide:sc= -4.09! C(o=-5.8!,f=-10!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot -150:sc= -1.84 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -65:sc= 0.887 USER MOD Single : A 43 CYS SG : rot 35:sc= -1.37 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 45 SER OG : rot 130:sc= 0.437 USER MOD Single : A 48 MET CE :methyl -130:sc= -0.881 (180deg=-3.2!) USER MOD Single : A 49 SER OG : rot -150:sc= 0.289 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc=-0.00562 (180deg=-0.381) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.877 K(o=-0.88,f=-0.14) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -160:sc= 0.00701 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -57:sc= 0.147 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -5:sc= 0.809! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -112:sc= -3.26! (180deg=-6.04!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.19 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -158:sc= 0.0887 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.790 16.822 4.334 1.00 0.00 N ATOM 67 CA PRO A 8 9.940 15.682 3.976 1.00 0.00 C ATOM 68 C PRO A 8 8.978 16.009 2.839 1.00 0.00 C ATOM 69 O PRO A 8 8.587 17.159 2.637 1.00 0.00 O ATOM 70 CB PRO A 8 9.166 15.398 5.266 1.00 0.00 C ATOM 71 CG PRO A 8 9.149 16.699 5.992 1.00 0.00 C ATOM 72 CD PRO A 8 10.447 17.379 5.652 1.00 0.00 C ATOM 0 HA PRO A 8 10.525 14.835 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.155 15.050 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.652 14.621 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.298 17.307 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.059 16.545 7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.335 18.462 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.218 17.165 6.392 1.00 0.00 H new ATOM 80 N PRO A 9 8.587 14.976 2.078 1.00 0.00 N ATOM 81 CA PRO A 9 7.665 15.130 0.949 1.00 0.00 C ATOM 82 C PRO A 9 6.247 15.462 1.400 1.00 0.00 C ATOM 83 O PRO A 9 5.800 15.016 2.456 1.00 0.00 O ATOM 84 CB PRO A 9 7.703 13.758 0.271 1.00 0.00 C ATOM 85 CG PRO A 9 8.095 12.812 1.352 1.00 0.00 C ATOM 86 CD PRO A 9 9.014 13.579 2.262 1.00 0.00 C ATOM 0 HA PRO A 9 7.955 15.952 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.732 13.498 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.421 13.741 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.219 12.454 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.596 11.936 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.911 13.260 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.060 13.439 1.988 1.00 0.00 H new ATOM 94 N GLY A 10 5.542 16.248 0.591 1.00 0.00 N ATOM 95 CA GLY A 10 4.181 16.626 0.924 1.00 0.00 C ATOM 96 C GLY A 10 3.238 15.439 0.944 1.00 0.00 C ATOM 97 O GLY A 10 3.657 14.285 0.846 1.00 0.00 O ATOM 0 H GLY A 10 5.889 16.629 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.170 17.111 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.823 17.358 0.200 1.00 0.00 H new ATOM 101 N PRO A 11 1.933 15.717 1.075 1.00 0.00 N ATOM 102 CA PRO A 11 0.901 14.676 1.112 1.00 0.00 C ATOM 103 C PRO A 11 0.720 13.992 -0.238 1.00 0.00 C ATOM 104 O PRO A 11 0.155 14.571 -1.167 1.00 0.00 O ATOM 105 CB PRO A 11 -0.365 15.446 1.497 1.00 0.00 C ATOM 106 CG PRO A 11 -0.114 16.841 1.038 1.00 0.00 C ATOM 107 CD PRO A 11 1.363 17.070 1.197 1.00 0.00 C ATOM 0 HA PRO A 11 1.155 13.874 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.247 15.024 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.540 15.408 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.419 16.971 -0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.686 17.555 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.751 17.740 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.598 17.520 2.162 1.00 0.00 H new ATOM 115 N CYS A 12 1.201 12.758 -0.340 1.00 0.00 N ATOM 116 CA CYS A 12 1.092 11.995 -1.578 1.00 0.00 C ATOM 117 C CYS A 12 -0.370 11.748 -1.937 1.00 0.00 C ATOM 118 O CYS A 12 -1.271 12.036 -1.149 1.00 0.00 O ATOM 119 CB CYS A 12 1.830 10.662 -1.446 1.00 0.00 C ATOM 120 SG CYS A 12 3.631 10.806 -1.501 1.00 0.00 S ATOM 0 H CYS A 12 1.670 12.265 0.420 1.00 0.00 H new ATOM 0 HA CYS A 12 1.550 12.578 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.543 10.192 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.505 9.998 -2.247 1.00 0.00 H new ATOM 0 HG CYS A 12 4.138 9.721 -2.006 1.00 0.00 H new ATOM 126 N LEU A 13 -0.598 11.215 -3.132 1.00 0.00 N ATOM 127 CA LEU A 13 -1.950 10.930 -3.598 1.00 0.00 C ATOM 128 C LEU A 13 -2.353 9.498 -3.261 1.00 0.00 C ATOM 129 O LEU A 13 -1.513 8.636 -3.002 1.00 0.00 O ATOM 130 CB LEU A 13 -2.050 11.158 -5.107 1.00 0.00 C ATOM 131 CG LEU A 13 -2.394 12.580 -5.550 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.195 12.735 -7.050 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.824 12.929 -5.162 1.00 0.00 C ATOM 0 H LEU A 13 0.137 10.971 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.633 11.609 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.099 10.878 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.805 10.482 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.721 13.271 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.445 13.754 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.155 12.528 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.842 12.034 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.051 13.945 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.512 12.233 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.935 12.859 -4.080 1.00 0.00 H new ATOM 145 N PRO A 14 -3.668 9.236 -3.264 1.00 0.00 N ATOM 146 CA PRO A 14 -4.211 7.908 -2.963 1.00 0.00 C ATOM 147 C PRO A 14 -3.907 6.895 -4.061 1.00 0.00 C ATOM 148 O PRO A 14 -3.968 7.197 -5.253 1.00 0.00 O ATOM 149 CB PRO A 14 -5.719 8.155 -2.867 1.00 0.00 C ATOM 150 CG PRO A 14 -5.959 9.365 -3.702 1.00 0.00 C ATOM 151 CD PRO A 14 -4.726 10.215 -3.563 1.00 0.00 C ATOM 0 HA PRO A 14 -3.775 7.485 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.284 7.300 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.028 8.319 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.130 9.093 -4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.844 9.903 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.514 10.768 -4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.832 10.949 -2.764 1.00 0.00 H new ATOM 159 N PRO A 15 -3.572 5.662 -3.653 1.00 0.00 N ATOM 160 CA PRO A 15 -3.252 4.578 -4.587 1.00 0.00 C ATOM 161 C PRO A 15 -4.477 4.096 -5.357 1.00 0.00 C ATOM 162 O PRO A 15 -5.530 3.845 -4.772 1.00 0.00 O ATOM 163 CB PRO A 15 -2.723 3.468 -3.676 1.00 0.00 C ATOM 164 CG PRO A 15 -3.349 3.736 -2.351 1.00 0.00 C ATOM 165 CD PRO A 15 -3.479 5.230 -2.248 1.00 0.00 C ATOM 0 HA PRO A 15 -2.542 4.895 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.998 2.483 -4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.635 3.493 -3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.323 3.254 -2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.734 3.341 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.363 5.518 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.619 5.675 -1.747 1.00 0.00 H new ATOM 173 N ARG A 16 -4.332 3.970 -6.672 1.00 0.00 N ATOM 174 CA ARG A 16 -5.427 3.519 -7.522 1.00 0.00 C ATOM 175 C ARG A 16 -5.453 1.996 -7.613 1.00 0.00 C ATOM 176 O ARG A 16 -4.488 1.373 -8.059 1.00 0.00 O ATOM 177 CB ARG A 16 -5.297 4.122 -8.922 1.00 0.00 C ATOM 178 CG ARG A 16 -5.907 5.508 -9.047 1.00 0.00 C ATOM 179 CD ARG A 16 -7.420 5.440 -9.193 1.00 0.00 C ATOM 180 NE ARG A 16 -7.988 6.720 -9.606 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.205 6.851 -10.123 1.00 0.00 C ATOM 182 NH1 ARG A 16 -9.977 5.786 -10.288 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.652 8.050 -10.474 1.00 0.00 N ATOM 0 H ARG A 16 -3.467 4.174 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.362 3.855 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.242 4.173 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.776 3.457 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.651 6.100 -8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.480 6.018 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.680 4.675 -9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.862 5.136 -8.244 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.420 7.559 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.637 4.863 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.911 5.890 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.061 8.872 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.586 8.150 -10.871 1.00 0.00 H new ATOM 197 N LEU A 17 -6.562 1.401 -7.188 1.00 0.00 N ATOM 198 CA LEU A 17 -6.713 -0.049 -7.221 1.00 0.00 C ATOM 199 C LEU A 17 -6.285 -0.611 -8.573 1.00 0.00 C ATOM 200 O LEU A 17 -6.827 -0.235 -9.612 1.00 0.00 O ATOM 201 CB LEU A 17 -8.165 -0.437 -6.932 1.00 0.00 C ATOM 202 CG LEU A 17 -8.559 -1.872 -7.282 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.033 -2.840 -6.233 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.070 -1.994 -7.413 1.00 0.00 C ATOM 0 H LEU A 17 -7.370 1.901 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.069 -0.474 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.359 -0.277 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.818 0.242 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.110 -2.128 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.323 -3.857 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.946 -2.773 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.453 -2.585 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.332 -3.022 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.540 -1.719 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.422 -1.329 -8.201 1.00 0.00 H new ATOM 216 N GLN A 18 -5.310 -1.514 -8.551 1.00 0.00 N ATOM 217 CA GLN A 18 -4.811 -2.129 -9.775 1.00 0.00 C ATOM 218 C GLN A 18 -5.779 -3.190 -10.286 1.00 0.00 C ATOM 219 O GLN A 18 -6.432 -3.878 -9.502 1.00 0.00 O ATOM 220 CB GLN A 18 -3.434 -2.751 -9.533 1.00 0.00 C ATOM 221 CG GLN A 18 -2.544 -2.755 -10.765 1.00 0.00 C ATOM 222 CD GLN A 18 -1.425 -3.774 -10.673 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.439 -4.792 -11.365 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.447 -3.503 -9.817 1.00 0.00 N ATOM 0 H GLN A 18 -4.850 -1.836 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.722 -1.351 -10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.933 -2.204 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.563 -3.776 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.150 -2.965 -11.646 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.116 -1.762 -10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.476 -2.647 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.334 -4.151 -9.713 1.00 0.00 H new ATOM 233 N GLY A 19 -5.869 -3.316 -11.607 1.00 0.00 N ATOM 234 CA GLY A 19 -6.761 -4.296 -12.200 1.00 0.00 C ATOM 235 C GLY A 19 -8.034 -4.480 -11.398 1.00 0.00 C ATOM 236 O GLY A 19 -8.859 -3.570 -11.313 1.00 0.00 O ATOM 0 H GLY A 19 -5.340 -2.757 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.015 -3.985 -13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.244 -5.252 -12.280 1.00 0.00 H new ATOM 240 N ARG A 20 -8.196 -5.661 -10.811 1.00 0.00 N ATOM 241 CA ARG A 20 -9.379 -5.963 -10.015 1.00 0.00 C ATOM 242 C ARG A 20 -8.989 -6.536 -8.655 1.00 0.00 C ATOM 243 O ARG A 20 -8.015 -7.277 -8.523 1.00 0.00 O ATOM 244 CB ARG A 20 -10.280 -6.952 -10.757 1.00 0.00 C ATOM 245 CG ARG A 20 -11.023 -6.336 -11.931 1.00 0.00 C ATOM 246 CD ARG A 20 -12.143 -5.420 -11.463 1.00 0.00 C ATOM 247 NE ARG A 20 -13.339 -6.168 -11.082 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.326 -5.655 -10.357 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.261 -4.399 -9.936 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.382 -6.398 -10.051 1.00 0.00 N ATOM 0 H ARG A 20 -7.522 -6.425 -10.872 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.925 -5.033 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.674 -7.783 -11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.005 -7.366 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.325 -5.772 -12.549 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.436 -7.127 -12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.798 -4.831 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.393 -4.717 -12.258 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.420 -7.137 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.451 -3.824 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.021 -4.008 -9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.436 -7.364 -10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.140 -6.003 -9.494 1.00 0.00 H new ATOM 264 N PRO A 21 -9.765 -6.184 -7.620 1.00 0.00 N ATOM 265 CA PRO A 21 -9.520 -6.651 -6.252 1.00 0.00 C ATOM 266 C PRO A 21 -9.807 -8.140 -6.088 1.00 0.00 C ATOM 267 O PRO A 21 -10.366 -8.777 -6.981 1.00 0.00 O ATOM 268 CB PRO A 21 -10.497 -5.823 -5.414 1.00 0.00 C ATOM 269 CG PRO A 21 -11.592 -5.459 -6.357 1.00 0.00 C ATOM 270 CD PRO A 21 -10.943 -5.303 -7.705 1.00 0.00 C ATOM 0 HA PRO A 21 -8.477 -6.528 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.877 -6.396 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.014 -4.935 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.360 -6.232 -6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.080 -4.534 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.613 -5.604 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.658 -4.268 -7.897 1.00 0.00 H new ATOM 278 N LYS A 22 -9.422 -8.689 -4.941 1.00 0.00 N ATOM 279 CA LYS A 22 -9.639 -10.103 -4.658 1.00 0.00 C ATOM 280 C LYS A 22 -10.431 -10.284 -3.368 1.00 0.00 C ATOM 281 O LYS A 22 -10.852 -9.310 -2.745 1.00 0.00 O ATOM 282 CB LYS A 22 -8.299 -10.834 -4.553 1.00 0.00 C ATOM 283 CG LYS A 22 -7.367 -10.568 -5.723 1.00 0.00 C ATOM 284 CD LYS A 22 -7.591 -11.560 -6.852 1.00 0.00 C ATOM 285 CE LYS A 22 -7.139 -10.994 -8.189 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.698 -11.268 -8.449 1.00 0.00 N ATOM 0 H LYS A 22 -8.958 -8.176 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.215 -10.528 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.803 -10.535 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.484 -11.906 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.525 -9.554 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.332 -10.627 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.046 -12.480 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.648 -11.820 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.741 -11.426 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.313 -9.918 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.429 -10.866 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.121 -10.834 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.536 -12.295 -8.459 1.00 0.00 H new ATOM 300 N ALA A 23 -10.630 -11.537 -2.972 1.00 0.00 N ATOM 301 CA ALA A 23 -11.369 -11.845 -1.754 1.00 0.00 C ATOM 302 C ALA A 23 -10.602 -11.391 -0.517 1.00 0.00 C ATOM 303 O ALA A 23 -11.131 -10.661 0.322 1.00 0.00 O ATOM 304 CB ALA A 23 -11.662 -13.336 -1.677 1.00 0.00 C ATOM 0 H ALA A 23 -10.290 -12.355 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.313 -11.301 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.214 -13.552 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.258 -13.635 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.724 -13.891 -1.674 1.00 0.00 H new ATOM 310 N LYS A 24 -9.352 -11.828 -0.408 1.00 0.00 N ATOM 311 CA LYS A 24 -8.510 -11.466 0.727 1.00 0.00 C ATOM 312 C LYS A 24 -7.237 -10.768 0.259 1.00 0.00 C ATOM 313 O LYS A 24 -6.259 -10.680 1.001 1.00 0.00 O ATOM 314 CB LYS A 24 -8.152 -12.712 1.539 1.00 0.00 C ATOM 315 CG LYS A 24 -9.362 -13.481 2.041 1.00 0.00 C ATOM 316 CD LYS A 24 -8.994 -14.421 3.176 1.00 0.00 C ATOM 317 CE LYS A 24 -10.160 -14.623 4.133 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.979 -15.835 4.979 1.00 0.00 N ATOM 0 H LYS A 24 -8.899 -12.434 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.070 -10.776 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.542 -13.373 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.541 -12.416 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.124 -12.780 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.797 -14.052 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.686 -15.384 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.140 -14.018 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.262 -13.746 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.086 -14.712 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.794 -15.938 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.907 -16.675 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.109 -15.739 5.541 1.00 0.00 H new ATOM 332 N GLU A 25 -7.258 -10.272 -0.974 1.00 0.00 N ATOM 333 CA GLU A 25 -6.105 -9.580 -1.539 1.00 0.00 C ATOM 334 C GLU A 25 -6.547 -8.413 -2.417 1.00 0.00 C ATOM 335 O GLU A 25 -7.635 -8.433 -2.993 1.00 0.00 O ATOM 336 CB GLU A 25 -5.250 -10.552 -2.354 1.00 0.00 C ATOM 337 CG GLU A 25 -4.821 -11.785 -1.578 1.00 0.00 C ATOM 338 CD GLU A 25 -5.854 -12.894 -1.627 1.00 0.00 C ATOM 339 OE1 GLU A 25 -7.012 -12.609 -1.999 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.506 -14.045 -1.293 1.00 0.00 O ATOM 0 H GLU A 25 -8.060 -10.336 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.510 -9.186 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.811 -10.865 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.362 -10.030 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.878 -12.154 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.637 -11.510 -0.539 1.00 0.00 H new ATOM 347 N ILE A 26 -5.695 -7.398 -2.513 1.00 0.00 N ATOM 348 CA ILE A 26 -5.997 -6.223 -3.321 1.00 0.00 C ATOM 349 C ILE A 26 -4.723 -5.599 -3.881 1.00 0.00 C ATOM 350 O ILE A 26 -3.758 -5.376 -3.152 1.00 0.00 O ATOM 351 CB ILE A 26 -6.760 -5.161 -2.507 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.930 -5.804 -1.760 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.254 -4.048 -3.420 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.586 -4.881 -0.756 1.00 0.00 C ATOM 0 H ILE A 26 -4.791 -7.366 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.627 -6.560 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.080 -4.728 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.677 -6.131 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.575 -6.696 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.791 -3.305 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.403 -3.575 -3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.922 -4.465 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.407 -5.403 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.853 -4.574 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.972 -4.000 -1.269 1.00 0.00 H new ATOM 366 N GLN A 27 -4.730 -5.319 -5.181 1.00 0.00 N ATOM 367 CA GLN A 27 -3.575 -4.719 -5.838 1.00 0.00 C ATOM 368 C GLN A 27 -3.731 -3.205 -5.939 1.00 0.00 C ATOM 369 O GLN A 27 -4.832 -2.697 -6.155 1.00 0.00 O ATOM 370 CB GLN A 27 -3.388 -5.318 -7.233 1.00 0.00 C ATOM 371 CG GLN A 27 -2.977 -6.782 -7.217 1.00 0.00 C ATOM 372 CD GLN A 27 -3.447 -7.534 -8.446 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.701 -7.698 -9.411 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.691 -7.998 -8.417 1.00 0.00 N ATOM 0 H GLN A 27 -5.522 -5.498 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.693 -4.935 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.319 -5.217 -7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.632 -4.743 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.891 -6.850 -7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.384 -7.260 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.275 -7.839 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.062 -8.513 -9.215 1.00 0.00 H new ATOM 383 N LEU A 28 -2.623 -2.490 -5.781 1.00 0.00 N ATOM 384 CA LEU A 28 -2.636 -1.033 -5.854 1.00 0.00 C ATOM 385 C LEU A 28 -1.578 -0.527 -6.829 1.00 0.00 C ATOM 386 O LEU A 28 -0.598 -1.218 -7.111 1.00 0.00 O ATOM 387 CB LEU A 28 -2.398 -0.431 -4.468 1.00 0.00 C ATOM 388 CG LEU A 28 -3.351 -0.892 -3.364 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.677 -0.796 -2.004 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.631 -0.069 -3.386 1.00 0.00 C ATOM 0 H LEU A 28 -1.704 -2.895 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.616 -0.721 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.379 -0.666 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.465 0.654 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.610 -1.935 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.370 -1.128 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.790 -1.429 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.388 0.238 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.297 -0.411 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.390 0.982 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.124 -0.188 -4.351 1.00 0.00 H new ATOM 402 N ARG A 29 -1.781 0.684 -7.339 1.00 0.00 N ATOM 403 CA ARG A 29 -0.843 1.283 -8.281 1.00 0.00 C ATOM 404 C ARG A 29 -0.803 2.799 -8.118 1.00 0.00 C ATOM 405 O ARG A 29 -1.722 3.503 -8.535 1.00 0.00 O ATOM 406 CB ARG A 29 -1.232 0.924 -9.717 1.00 0.00 C ATOM 407 CG ARG A 29 -0.370 1.603 -10.769 1.00 0.00 C ATOM 408 CD ARG A 29 0.825 0.743 -11.151 1.00 0.00 C ATOM 409 NE ARG A 29 1.338 1.077 -12.476 1.00 0.00 N ATOM 410 CZ ARG A 29 2.103 2.134 -12.723 1.00 0.00 C ATOM 411 NH1 ARG A 29 2.442 2.956 -11.739 1.00 0.00 N ATOM 412 NH2 ARG A 29 2.532 2.372 -13.956 1.00 0.00 N ATOM 0 H ARG A 29 -2.586 1.269 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 29 0.150 0.886 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.162 -0.156 -9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.274 1.198 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.970 1.808 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.022 2.564 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.616 0.873 -10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.537 -0.308 -11.128 1.00 0.00 H new ATOM 0 HE ARG A 29 1.096 0.465 -13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.115 2.777 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.030 3.767 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.274 1.743 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.119 3.184 -14.144 1.00 0.00 H new ATOM 426 N TRP A 30 0.268 3.294 -7.508 1.00 0.00 N ATOM 427 CA TRP A 30 0.428 4.727 -7.288 1.00 0.00 C ATOM 428 C TRP A 30 1.666 5.253 -8.007 1.00 0.00 C ATOM 429 O TRP A 30 2.325 4.521 -8.744 1.00 0.00 O ATOM 430 CB TRP A 30 0.526 5.027 -5.792 1.00 0.00 C ATOM 431 CG TRP A 30 1.673 4.334 -5.121 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.878 4.883 -4.784 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.724 2.964 -4.708 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.675 3.936 -4.186 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.989 2.751 -4.127 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.823 1.898 -4.771 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.374 1.515 -3.614 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.207 0.672 -4.262 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.472 0.488 -3.689 1.00 0.00 C ATOM 0 H TRP A 30 1.038 2.725 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.448 5.232 -7.695 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.628 6.103 -5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.403 4.728 -5.307 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.162 5.910 -4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.623 4.090 -3.842 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.155 2.030 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.349 1.372 -3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.519 -0.160 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.741 -0.483 -3.299 1.00 0.00 H new ATOM 450 N GLY A 31 1.976 6.527 -7.787 1.00 0.00 N ATOM 451 CA GLY A 31 3.135 7.128 -8.421 1.00 0.00 C ATOM 452 C GLY A 31 3.828 8.136 -7.526 1.00 0.00 C ATOM 453 O GLY A 31 3.405 8.392 -6.399 1.00 0.00 O ATOM 0 H GLY A 31 1.446 7.153 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.842 6.345 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.827 7.618 -9.344 1.00 0.00 H new ATOM 457 N PRO A 32 4.922 8.727 -8.030 1.00 0.00 N ATOM 458 CA PRO A 32 5.699 9.721 -7.284 1.00 0.00 C ATOM 459 C PRO A 32 4.947 11.037 -7.114 1.00 0.00 C ATOM 460 O PRO A 32 4.314 11.541 -8.041 1.00 0.00 O ATOM 461 CB PRO A 32 6.943 9.924 -8.153 1.00 0.00 C ATOM 462 CG PRO A 32 6.506 9.561 -9.530 1.00 0.00 C ATOM 463 CD PRO A 32 5.484 8.470 -9.366 1.00 0.00 C ATOM 0 HA PRO A 32 5.920 9.388 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.294 10.955 -8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.766 9.292 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.078 10.422 -10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.349 9.219 -10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.718 8.517 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.938 7.481 -9.427 1.00 0.00 H new ATOM 471 N PRO A 33 5.018 11.607 -5.903 1.00 0.00 N ATOM 472 CA PRO A 33 4.350 12.873 -5.584 1.00 0.00 C ATOM 473 C PRO A 33 4.993 14.062 -6.289 1.00 0.00 C ATOM 474 O PRO A 33 6.102 13.958 -6.817 1.00 0.00 O ATOM 475 CB PRO A 33 4.523 12.993 -4.068 1.00 0.00 C ATOM 476 CG PRO A 33 5.742 12.194 -3.761 1.00 0.00 C ATOM 477 CD PRO A 33 5.755 11.062 -4.751 1.00 0.00 C ATOM 0 HA PRO A 33 3.310 12.878 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.645 14.033 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.652 12.606 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.641 12.803 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.715 11.818 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.772 10.778 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.271 10.172 -4.349 1.00 0.00 H new ATOM 485 N LEU A 34 4.293 15.190 -6.295 1.00 0.00 N ATOM 486 CA LEU A 34 4.797 16.400 -6.935 1.00 0.00 C ATOM 487 C LEU A 34 5.751 17.149 -6.011 1.00 0.00 C ATOM 488 O LEU A 34 6.738 17.732 -6.460 1.00 0.00 O ATOM 489 CB LEU A 34 3.635 17.312 -7.334 1.00 0.00 C ATOM 490 CG LEU A 34 3.058 17.091 -8.732 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.597 17.512 -8.780 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.868 17.854 -9.770 1.00 0.00 C ATOM 0 H LEU A 34 3.374 15.293 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 34 5.344 16.106 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.833 17.184 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.970 18.347 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 34 3.116 16.027 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.204 17.347 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.025 16.922 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.514 18.569 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.443 17.685 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.842 18.919 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.900 17.505 -9.754 1.00 0.00 H new ATOM 504 N VAL A 35 5.452 17.127 -4.716 1.00 0.00 N ATOM 505 CA VAL A 35 6.285 17.801 -3.727 1.00 0.00 C ATOM 506 C VAL A 35 7.102 16.797 -2.921 1.00 0.00 C ATOM 507 O VAL A 35 6.657 16.314 -1.880 1.00 0.00 O ATOM 508 CB VAL A 35 5.436 18.649 -2.762 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.326 19.540 -1.909 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.420 19.477 -3.533 1.00 0.00 C ATOM 0 H VAL A 35 4.639 16.650 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 35 6.960 18.457 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 35 4.893 17.977 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.708 20.132 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.010 18.922 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.899 20.206 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.829 20.070 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.940 20.141 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.761 18.814 -4.094 1.00 0.00 H new ATOM 520 N ASP A 36 8.298 16.489 -3.409 1.00 0.00 N ATOM 521 CA ASP A 36 9.179 15.543 -2.733 1.00 0.00 C ATOM 522 C ASP A 36 10.034 16.250 -1.686 1.00 0.00 C ATOM 523 O ASP A 36 11.112 15.778 -1.328 1.00 0.00 O ATOM 524 CB ASP A 36 10.076 14.834 -3.748 1.00 0.00 C ATOM 525 CG ASP A 36 11.068 15.776 -4.401 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.308 16.867 -3.842 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.606 15.422 -5.471 1.00 0.00 O ATOM 0 H ASP A 36 8.680 16.880 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 36 8.558 14.802 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.617 14.029 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.456 14.374 -4.517 1.00 0.00 H new ATOM 532 N GLY A 37 9.545 17.387 -1.198 1.00 0.00 N ATOM 533 CA GLY A 37 10.277 18.141 -0.198 1.00 0.00 C ATOM 534 C GLY A 37 11.611 18.645 -0.714 1.00 0.00 C ATOM 535 O GLY A 37 12.521 18.921 0.066 1.00 0.00 O ATOM 0 H GLY A 37 8.655 17.799 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.673 18.988 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.443 17.513 0.677 1.00 0.00 H new ATOM 539 N GLY A 38 11.727 18.763 -2.033 1.00 0.00 N ATOM 540 CA GLY A 38 12.964 19.235 -2.629 1.00 0.00 C ATOM 541 C GLY A 38 14.027 18.156 -2.690 1.00 0.00 C ATOM 542 O GLY A 38 15.160 18.414 -3.094 1.00 0.00 O ATOM 0 H GLY A 38 10.987 18.541 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.762 19.599 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.341 20.080 -2.054 1.00 0.00 H new ATOM 546 N SER A 39 13.661 16.944 -2.285 1.00 0.00 N ATOM 547 CA SER A 39 14.594 15.823 -2.290 1.00 0.00 C ATOM 548 C SER A 39 14.005 14.630 -3.036 1.00 0.00 C ATOM 549 O SER A 39 12.792 14.424 -3.071 1.00 0.00 O ATOM 550 CB SER A 39 14.946 15.419 -0.857 1.00 0.00 C ATOM 551 OG SER A 39 13.871 15.685 0.027 1.00 0.00 O ATOM 0 H SER A 39 12.726 16.713 -1.950 1.00 0.00 H new ATOM 0 HA SER A 39 15.501 16.140 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.193 14.358 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.833 15.962 -0.530 1.00 0.00 H new ATOM 0 HG SER A 39 14.206 15.725 0.947 1.00 0.00 H new ATOM 557 N PRO A 40 14.885 13.823 -3.649 1.00 0.00 N ATOM 558 CA PRO A 40 14.477 12.636 -4.406 1.00 0.00 C ATOM 559 C PRO A 40 13.941 11.529 -3.504 1.00 0.00 C ATOM 560 O PRO A 40 14.661 11.009 -2.651 1.00 0.00 O ATOM 561 CB PRO A 40 15.771 12.189 -5.090 1.00 0.00 C ATOM 562 CG PRO A 40 16.860 12.716 -4.220 1.00 0.00 C ATOM 563 CD PRO A 40 16.346 14.008 -3.649 1.00 0.00 C ATOM 0 HA PRO A 40 13.666 12.855 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.821 11.103 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.843 12.589 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.103 12.008 -3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.773 12.879 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.729 14.184 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.643 14.863 -4.257 1.00 0.00 H new ATOM 571 N ILE A 41 12.676 11.174 -3.699 1.00 0.00 N ATOM 572 CA ILE A 41 12.046 10.128 -2.904 1.00 0.00 C ATOM 573 C ILE A 41 12.943 8.899 -2.802 1.00 0.00 C ATOM 574 O ILE A 41 13.527 8.460 -3.792 1.00 0.00 O ATOM 575 CB ILE A 41 10.688 9.710 -3.498 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.764 10.923 -3.619 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.044 8.630 -2.640 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.413 11.550 -2.288 1.00 0.00 C ATOM 0 H ILE A 41 12.067 11.595 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 41 11.886 10.542 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 41 10.855 9.303 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.242 11.672 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.846 10.621 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.085 8.345 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.698 7.759 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.888 9.012 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.755 12.404 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.906 10.815 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.324 11.883 -1.791 1.00 0.00 H new ATOM 590 N SER A 42 13.047 8.347 -1.597 1.00 0.00 N ATOM 591 CA SER A 42 13.875 7.169 -1.364 1.00 0.00 C ATOM 592 C SER A 42 13.024 5.903 -1.345 1.00 0.00 C ATOM 593 O SER A 42 13.385 4.890 -1.947 1.00 0.00 O ATOM 594 CB SER A 42 14.635 7.307 -0.044 1.00 0.00 C ATOM 595 OG SER A 42 13.742 7.392 1.053 1.00 0.00 O ATOM 0 H SER A 42 12.568 8.697 -0.767 1.00 0.00 H new ATOM 0 HA SER A 42 14.592 7.091 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.298 6.452 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.264 8.197 -0.074 1.00 0.00 H new ATOM 0 HG SER A 42 13.212 8.213 0.981 1.00 0.00 H new ATOM 601 N CYS A 43 11.895 5.967 -0.649 1.00 0.00 N ATOM 602 CA CYS A 43 10.992 4.826 -0.549 1.00 0.00 C ATOM 603 C CYS A 43 9.588 5.275 -0.156 1.00 0.00 C ATOM 604 O CYS A 43 9.379 6.427 0.227 1.00 0.00 O ATOM 605 CB CYS A 43 11.522 3.818 0.472 1.00 0.00 C ATOM 606 SG CYS A 43 12.634 2.575 -0.227 1.00 0.00 S ATOM 0 H CYS A 43 11.583 6.797 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 43 10.940 4.349 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.047 4.357 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.677 3.312 0.940 1.00 0.00 H new ATOM 0 HG CYS A 43 13.346 3.113 -1.172 1.00 0.00 H new ATOM 612 N TYR A 44 8.630 4.360 -0.255 1.00 0.00 N ATOM 613 CA TYR A 44 7.246 4.664 0.086 1.00 0.00 C ATOM 614 C TYR A 44 6.728 3.711 1.159 1.00 0.00 C ATOM 615 O TYR A 44 7.381 2.724 1.497 1.00 0.00 O ATOM 616 CB TYR A 44 6.361 4.576 -1.159 1.00 0.00 C ATOM 617 CG TYR A 44 6.708 5.595 -2.221 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.132 6.860 -2.213 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.612 5.294 -3.232 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.445 7.793 -3.182 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.933 6.222 -4.204 1.00 0.00 C ATOM 622 CZ TYR A 44 7.347 7.470 -4.175 1.00 0.00 C ATOM 623 OH TYR A 44 7.662 8.397 -5.141 1.00 0.00 O ATOM 0 H TYR A 44 8.787 3.402 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 44 7.210 5.680 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.446 3.576 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.320 4.710 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.428 7.118 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.072 4.317 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.986 8.770 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.639 5.971 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 44 8.313 8.012 -5.764 1.00 0.00 H new ATOM 633 N SER A 45 5.549 4.015 1.692 1.00 0.00 N ATOM 634 CA SER A 45 4.943 3.189 2.730 1.00 0.00 C ATOM 635 C SER A 45 3.421 3.222 2.630 1.00 0.00 C ATOM 636 O SER A 45 2.805 4.286 2.696 1.00 0.00 O ATOM 637 CB SER A 45 5.385 3.667 4.114 1.00 0.00 C ATOM 638 OG SER A 45 4.531 3.160 5.125 1.00 0.00 O ATOM 0 H SER A 45 4.994 4.827 1.422 1.00 0.00 H new ATOM 0 HA SER A 45 5.277 2.162 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.409 3.345 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.382 4.757 4.144 1.00 0.00 H new ATOM 0 HG SER A 45 5.070 2.752 5.835 1.00 0.00 H new ATOM 644 N VAL A 46 2.819 2.047 2.470 1.00 0.00 N ATOM 645 CA VAL A 46 1.369 1.939 2.362 1.00 0.00 C ATOM 646 C VAL A 46 0.748 1.527 3.693 1.00 0.00 C ATOM 647 O VAL A 46 1.056 0.464 4.229 1.00 0.00 O ATOM 648 CB VAL A 46 0.961 0.921 1.281 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.553 0.797 1.208 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.537 1.319 -0.069 1.00 0.00 C ATOM 0 H VAL A 46 3.314 1.157 2.412 1.00 0.00 H new ATOM 0 HA VAL A 46 0.998 2.925 2.081 1.00 0.00 H new ATOM 0 HB VAL A 46 1.368 -0.053 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.822 0.073 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.938 0.462 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.986 1.766 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.239 0.589 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.161 2.303 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.625 1.351 -0.005 1.00 0.00 H new ATOM 660 N GLU A 47 -0.128 2.377 4.219 1.00 0.00 N ATOM 661 CA GLU A 47 -0.792 2.101 5.487 1.00 0.00 C ATOM 662 C GLU A 47 -2.275 1.810 5.273 1.00 0.00 C ATOM 663 O GLU A 47 -3.091 2.727 5.181 1.00 0.00 O ATOM 664 CB GLU A 47 -0.627 3.284 6.443 1.00 0.00 C ATOM 665 CG GLU A 47 -1.050 2.978 7.870 1.00 0.00 C ATOM 666 CD GLU A 47 -0.709 4.098 8.833 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.221 5.221 8.642 1.00 0.00 O ATOM 668 OE2 GLU A 47 0.070 3.852 9.778 1.00 0.00 O ATOM 0 H GLU A 47 -0.394 3.262 3.787 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.326 1.219 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.417 3.598 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.213 4.125 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.125 2.797 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.564 2.060 8.200 1.00 0.00 H new ATOM 675 N MET A 48 -2.615 0.528 5.194 1.00 0.00 N ATOM 676 CA MET A 48 -3.999 0.115 4.991 1.00 0.00 C ATOM 677 C MET A 48 -4.710 -0.078 6.327 1.00 0.00 C ATOM 678 O MET A 48 -4.091 -0.456 7.321 1.00 0.00 O ATOM 679 CB MET A 48 -4.054 -1.180 4.179 1.00 0.00 C ATOM 680 CG MET A 48 -5.447 -1.781 4.087 1.00 0.00 C ATOM 681 SD MET A 48 -5.419 -3.550 3.739 1.00 0.00 S ATOM 682 CE MET A 48 -5.057 -4.209 5.364 1.00 0.00 C ATOM 0 H MET A 48 -1.951 -0.243 5.267 1.00 0.00 H new ATOM 0 HA MET A 48 -4.510 0.903 4.438 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.685 -0.984 3.172 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.381 -1.910 4.629 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.976 -1.607 5.024 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.008 -1.270 3.305 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.228 -4.913 5.295 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.786 -3.394 6.035 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.937 -4.721 5.753 1.00 0.00 H new ATOM 692 N SER A 49 -6.013 0.185 6.342 1.00 0.00 N ATOM 693 CA SER A 49 -6.807 0.044 7.557 1.00 0.00 C ATOM 694 C SER A 49 -8.268 -0.238 7.221 1.00 0.00 C ATOM 695 O SER A 49 -8.862 0.387 6.342 1.00 0.00 O ATOM 696 CB SER A 49 -6.703 1.310 8.409 1.00 0.00 C ATOM 697 OG SER A 49 -7.901 1.539 9.130 1.00 0.00 O ATOM 0 H SER A 49 -6.541 0.497 5.527 1.00 0.00 H new ATOM 0 HA SER A 49 -6.413 -0.800 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.869 1.217 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.491 2.166 7.769 1.00 0.00 H new ATOM 0 HG SER A 49 -8.022 2.502 9.267 1.00 0.00 H new ATOM 703 N PRO A 50 -8.864 -1.203 7.938 1.00 0.00 N ATOM 704 CA PRO A 50 -10.263 -1.590 7.735 1.00 0.00 C ATOM 705 C PRO A 50 -11.236 -0.511 8.197 1.00 0.00 C ATOM 706 O PRO A 50 -11.459 -0.335 9.395 1.00 0.00 O ATOM 707 CB PRO A 50 -10.411 -2.847 8.596 1.00 0.00 C ATOM 708 CG PRO A 50 -9.366 -2.710 9.649 1.00 0.00 C ATOM 709 CD PRO A 50 -8.217 -1.989 9.001 1.00 0.00 C ATOM 0 HA PRO A 50 -10.493 -1.748 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.407 -2.912 9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.262 -3.751 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.745 -2.151 10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.055 -3.687 10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.692 -1.350 9.711 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.483 -2.685 8.596 1.00 0.00 H new ATOM 717 N ILE A 51 -11.812 0.208 7.239 1.00 0.00 N ATOM 718 CA ILE A 51 -12.763 1.269 7.549 1.00 0.00 C ATOM 719 C ILE A 51 -13.588 0.925 8.784 1.00 0.00 C ATOM 720 O ILE A 51 -13.866 1.787 9.617 1.00 0.00 O ATOM 721 CB ILE A 51 -13.714 1.535 6.368 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.976 2.253 6.852 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.075 0.229 5.674 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.622 3.119 5.793 1.00 0.00 C ATOM 0 H ILE A 51 -11.637 0.075 6.243 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.179 2.168 7.745 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.206 2.178 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.698 1.511 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.724 2.873 7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.748 0.433 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.169 -0.247 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.567 -0.436 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.510 3.597 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.916 3.884 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.905 2.501 4.941 1.00 0.00 H new ATOM 736 N GLU A 52 -13.975 -0.342 8.897 1.00 0.00 N ATOM 737 CA GLU A 52 -14.767 -0.801 10.032 1.00 0.00 C ATOM 738 C GLU A 52 -14.089 -0.440 11.350 1.00 0.00 C ATOM 739 O GLU A 52 -14.718 0.107 12.256 1.00 0.00 O ATOM 740 CB GLU A 52 -14.983 -2.313 9.954 1.00 0.00 C ATOM 741 CG GLU A 52 -13.724 -3.091 9.607 1.00 0.00 C ATOM 742 CD GLU A 52 -13.966 -4.585 9.521 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.615 -5.135 10.435 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.507 -5.204 8.538 1.00 0.00 O ATOM 0 H GLU A 52 -13.753 -1.069 8.216 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.735 -0.301 9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.366 -2.667 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.748 -2.524 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.333 -2.735 8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.960 -2.893 10.359 1.00 0.00 H new ATOM 751 N LYS A 53 -12.801 -0.750 11.450 1.00 0.00 N ATOM 752 CA LYS A 53 -12.035 -0.458 12.656 1.00 0.00 C ATOM 753 C LYS A 53 -10.681 0.153 12.307 1.00 0.00 C ATOM 754 O LYS A 53 -9.739 -0.559 11.960 1.00 0.00 O ATOM 755 CB LYS A 53 -11.833 -1.734 13.478 1.00 0.00 C ATOM 756 CG LYS A 53 -11.854 -3.003 12.644 1.00 0.00 C ATOM 757 CD LYS A 53 -11.340 -4.196 13.433 1.00 0.00 C ATOM 758 CE LYS A 53 -9.844 -4.388 13.242 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.542 -5.313 12.115 1.00 0.00 N ATOM 0 H LYS A 53 -12.265 -1.204 10.710 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.598 0.264 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.881 -1.670 14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.613 -1.795 14.237 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.871 -3.200 12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.242 -2.864 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.557 -4.054 14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.867 -5.097 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.375 -3.422 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.408 -4.781 14.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.536 -5.237 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.754 -6.290 12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.125 -5.059 11.292 1.00 0.00 H new ATOM 773 N ASP A 54 -10.592 1.475 12.402 1.00 0.00 N ATOM 774 CA ASP A 54 -9.353 2.182 12.098 1.00 0.00 C ATOM 775 C ASP A 54 -8.144 1.400 12.603 1.00 0.00 C ATOM 776 O ASP A 54 -7.732 1.551 13.752 1.00 0.00 O ATOM 777 CB ASP A 54 -9.371 3.577 12.723 1.00 0.00 C ATOM 778 CG ASP A 54 -8.239 4.451 12.221 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.118 4.615 10.989 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.472 4.971 13.059 1.00 0.00 O ATOM 0 H ASP A 54 -11.363 2.079 12.687 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.274 2.279 11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.323 4.059 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.303 3.487 13.807 1.00 0.00 H new ATOM 785 N GLU A 55 -7.582 0.564 11.735 1.00 0.00 N ATOM 786 CA GLU A 55 -6.422 -0.242 12.095 1.00 0.00 C ATOM 787 C GLU A 55 -5.297 -0.059 11.080 1.00 0.00 C ATOM 788 O GLU A 55 -4.925 -0.981 10.354 1.00 0.00 O ATOM 789 CB GLU A 55 -6.808 -1.720 12.183 1.00 0.00 C ATOM 790 CG GLU A 55 -5.978 -2.507 13.184 1.00 0.00 C ATOM 791 CD GLU A 55 -5.821 -3.964 12.794 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.943 -4.272 11.589 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.577 -4.796 13.692 1.00 0.00 O ATOM 0 H GLU A 55 -7.911 0.428 10.779 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.067 0.092 13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.860 -1.796 12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.701 -2.174 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.992 -2.050 13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.446 -2.446 14.166 1.00 0.00 H new ATOM 800 N PRO A 56 -4.741 1.161 11.027 1.00 0.00 N ATOM 801 CA PRO A 56 -3.651 1.495 10.106 1.00 0.00 C ATOM 802 C PRO A 56 -2.342 0.808 10.483 1.00 0.00 C ATOM 803 O PRO A 56 -1.880 0.913 11.619 1.00 0.00 O ATOM 804 CB PRO A 56 -3.518 3.013 10.250 1.00 0.00 C ATOM 805 CG PRO A 56 -4.045 3.312 11.610 1.00 0.00 C ATOM 806 CD PRO A 56 -5.134 2.307 11.863 1.00 0.00 C ATOM 0 HA PRO A 56 -3.862 1.166 9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.480 3.331 10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.088 3.535 9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.258 3.231 12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.433 4.329 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.192 2.034 12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.112 2.695 11.579 1.00 0.00 H new ATOM 814 N ARG A 57 -1.751 0.105 9.523 1.00 0.00 N ATOM 815 CA ARG A 57 -0.496 -0.600 9.755 1.00 0.00 C ATOM 816 C ARG A 57 0.290 -0.754 8.456 1.00 0.00 C ATOM 817 O ARG A 57 -0.268 -1.119 7.422 1.00 0.00 O ATOM 818 CB ARG A 57 -0.765 -1.977 10.367 1.00 0.00 C ATOM 819 CG ARG A 57 -1.198 -3.020 9.351 1.00 0.00 C ATOM 820 CD ARG A 57 -2.600 -2.742 8.830 1.00 0.00 C ATOM 821 NE ARG A 57 -3.298 -3.969 8.456 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.641 -4.913 9.325 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.351 -4.773 10.611 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.275 -6.002 8.908 1.00 0.00 N ATOM 0 H ARG A 57 -2.121 0.008 8.577 1.00 0.00 H new ATOM 0 HA ARG A 57 0.099 -0.010 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.138 -2.324 10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.538 -1.882 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.495 -3.032 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.168 -4.009 9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.173 -2.217 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.541 -2.081 7.966 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.535 -4.109 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.863 -3.938 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.616 -5.500 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.499 -6.114 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.538 -6.726 9.576 1.00 0.00 H new ATOM 838 N GLU A 58 1.588 -0.471 8.519 1.00 0.00 N ATOM 839 CA GLU A 58 2.449 -0.577 7.347 1.00 0.00 C ATOM 840 C GLU A 58 2.333 -1.959 6.709 1.00 0.00 C ATOM 841 O GLU A 58 2.907 -2.931 7.200 1.00 0.00 O ATOM 842 CB GLU A 58 3.904 -0.300 7.729 1.00 0.00 C ATOM 843 CG GLU A 58 4.892 -0.588 6.611 1.00 0.00 C ATOM 844 CD GLU A 58 6.335 -0.504 7.072 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.679 0.475 7.768 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.119 -1.416 6.737 1.00 0.00 O ATOM 0 H GLU A 58 2.065 -0.167 9.368 1.00 0.00 H new ATOM 0 HA GLU A 58 2.124 0.168 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.000 0.744 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.164 -0.905 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.700 -1.583 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.732 0.121 5.798 1.00 0.00 H new ATOM 853 N VAL A 59 1.585 -2.038 5.613 1.00 0.00 N ATOM 854 CA VAL A 59 1.394 -3.299 4.907 1.00 0.00 C ATOM 855 C VAL A 59 2.397 -3.450 3.769 1.00 0.00 C ATOM 856 O VAL A 59 2.551 -4.532 3.203 1.00 0.00 O ATOM 857 CB VAL A 59 -0.033 -3.413 4.338 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.063 -3.279 5.449 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.261 -2.365 3.259 1.00 0.00 C ATOM 0 H VAL A 59 1.101 -1.243 5.195 1.00 0.00 H new ATOM 0 HA VAL A 59 1.552 -4.096 5.634 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.148 -4.398 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.065 -3.362 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.911 -4.070 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.952 -2.309 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.274 -2.460 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.128 -1.370 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.455 -2.513 2.451 1.00 0.00 H new ATOM 869 N TYR A 60 3.078 -2.358 3.440 1.00 0.00 N ATOM 870 CA TYR A 60 4.066 -2.368 2.367 1.00 0.00 C ATOM 871 C TYR A 60 5.097 -1.261 2.567 1.00 0.00 C ATOM 872 O TYR A 60 4.791 -0.207 3.123 1.00 0.00 O ATOM 873 CB TYR A 60 3.378 -2.202 1.011 1.00 0.00 C ATOM 874 CG TYR A 60 4.333 -2.250 -0.161 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.697 -3.461 -0.736 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.870 -1.084 -0.693 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.569 -3.510 -1.806 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.741 -1.123 -1.764 1.00 0.00 C ATOM 879 CZ TYR A 60 6.088 -2.339 -2.317 1.00 0.00 C ATOM 880 OH TYR A 60 6.957 -2.382 -3.383 1.00 0.00 O ATOM 0 H TYR A 60 2.964 -1.455 3.900 1.00 0.00 H new ATOM 0 HA TYR A 60 4.582 -3.328 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.631 -2.987 0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.846 -1.251 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.291 -4.380 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.602 -0.131 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.843 -4.460 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.148 -0.207 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 60 6.751 -3.160 -3.942 1.00 0.00 H new ATOM 890 N GLN A 61 6.319 -1.510 2.107 1.00 0.00 N ATOM 891 CA GLN A 61 7.396 -0.536 2.234 1.00 0.00 C ATOM 892 C GLN A 61 8.547 -0.871 1.292 1.00 0.00 C ATOM 893 O GLN A 61 9.233 -1.877 1.467 1.00 0.00 O ATOM 894 CB GLN A 61 7.900 -0.487 3.677 1.00 0.00 C ATOM 895 CG GLN A 61 8.800 0.704 3.967 1.00 0.00 C ATOM 896 CD GLN A 61 9.073 0.881 5.448 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.950 0.226 6.012 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.322 1.771 6.086 1.00 0.00 N ATOM 0 H GLN A 61 6.588 -2.378 1.643 1.00 0.00 H new ATOM 0 HA GLN A 61 7.001 0.443 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.044 -0.458 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.445 -1.405 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.745 0.577 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.336 1.609 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.606 2.292 5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.461 1.934 7.083 1.00 0.00 H new ATOM 907 N GLY A 62 8.754 -0.020 0.291 1.00 0.00 N ATOM 908 CA GLY A 62 9.823 -0.244 -0.664 1.00 0.00 C ATOM 909 C GLY A 62 10.110 0.980 -1.511 1.00 0.00 C ATOM 910 O GLY A 62 9.958 2.111 -1.050 1.00 0.00 O ATOM 0 H GLY A 62 8.200 0.820 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.728 -0.533 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.557 -1.077 -1.314 1.00 0.00 H new ATOM 914 N SER A 63 10.528 0.754 -2.752 1.00 0.00 N ATOM 915 CA SER A 63 10.843 1.848 -3.663 1.00 0.00 C ATOM 916 C SER A 63 9.846 1.897 -4.817 1.00 0.00 C ATOM 917 O SER A 63 9.619 2.951 -5.410 1.00 0.00 O ATOM 918 CB SER A 63 12.264 1.694 -4.208 1.00 0.00 C ATOM 919 OG SER A 63 12.450 0.416 -4.792 1.00 0.00 O ATOM 0 H SER A 63 10.656 -0.176 -3.150 1.00 0.00 H new ATOM 0 HA SER A 63 10.775 2.783 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.458 2.468 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.984 1.837 -3.402 1.00 0.00 H new ATOM 0 HG SER A 63 13.365 0.343 -5.134 1.00 0.00 H new ATOM 925 N GLU A 64 9.255 0.748 -5.130 1.00 0.00 N ATOM 926 CA GLU A 64 8.284 0.660 -6.214 1.00 0.00 C ATOM 927 C GLU A 64 7.009 1.424 -5.866 1.00 0.00 C ATOM 928 O GLU A 64 6.816 1.843 -4.725 1.00 0.00 O ATOM 929 CB GLU A 64 7.949 -0.804 -6.511 1.00 0.00 C ATOM 930 CG GLU A 64 8.895 -1.454 -7.506 1.00 0.00 C ATOM 931 CD GLU A 64 8.244 -2.590 -8.273 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.343 -2.314 -9.092 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.637 -3.755 -8.053 1.00 0.00 O ATOM 0 H GLU A 64 9.432 -0.134 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 64 8.727 1.112 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.970 -1.369 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.931 -0.864 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.249 -0.701 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.770 -1.832 -6.977 1.00 0.00 H new ATOM 940 N VAL A 65 6.143 1.601 -6.858 1.00 0.00 N ATOM 941 CA VAL A 65 4.887 2.313 -6.658 1.00 0.00 C ATOM 942 C VAL A 65 3.691 1.404 -6.919 1.00 0.00 C ATOM 943 O VAL A 65 2.593 1.875 -7.211 1.00 0.00 O ATOM 944 CB VAL A 65 4.789 3.547 -7.575 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.017 4.430 -7.415 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.614 3.120 -9.024 1.00 0.00 C ATOM 0 H VAL A 65 6.288 1.261 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 65 4.871 2.639 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 65 3.914 4.127 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.930 5.297 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.093 4.764 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.910 3.863 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.546 4.004 -9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.469 2.517 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.701 2.532 -9.122 1.00 0.00 H new ATOM 956 N GLU A 66 3.914 0.097 -6.811 1.00 0.00 N ATOM 957 CA GLU A 66 2.854 -0.879 -7.036 1.00 0.00 C ATOM 958 C GLU A 66 3.119 -2.160 -6.251 1.00 0.00 C ATOM 959 O GLU A 66 4.165 -2.792 -6.409 1.00 0.00 O ATOM 960 CB GLU A 66 2.732 -1.197 -8.528 1.00 0.00 C ATOM 961 CG GLU A 66 4.038 -1.639 -9.165 1.00 0.00 C ATOM 962 CD GLU A 66 3.860 -2.108 -10.596 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.907 -1.257 -11.509 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.674 -3.325 -10.803 1.00 0.00 O ATOM 0 H GLU A 66 4.818 -0.309 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 66 1.916 -0.447 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.988 -1.981 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.364 -0.314 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.747 -0.811 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.472 -2.445 -8.574 1.00 0.00 H new ATOM 971 N CYS A 67 2.166 -2.537 -5.406 1.00 0.00 N ATOM 972 CA CYS A 67 2.296 -3.742 -4.595 1.00 0.00 C ATOM 973 C CYS A 67 0.962 -4.474 -4.490 1.00 0.00 C ATOM 974 O CYS A 67 -0.050 -4.024 -5.030 1.00 0.00 O ATOM 975 CB CYS A 67 2.809 -3.389 -3.198 1.00 0.00 C ATOM 976 SG CYS A 67 1.564 -2.644 -2.121 1.00 0.00 S ATOM 0 H CYS A 67 1.295 -2.026 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 67 3.014 -4.402 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.190 -4.293 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.649 -2.701 -3.294 1.00 0.00 H new ATOM 0 HG CYS A 67 2.153 -2.003 -1.155 1.00 0.00 H new ATOM 982 N THR A 68 0.967 -5.606 -3.793 1.00 0.00 N ATOM 983 CA THR A 68 -0.242 -6.402 -3.620 1.00 0.00 C ATOM 984 C THR A 68 -0.491 -6.709 -2.148 1.00 0.00 C ATOM 985 O THR A 68 0.346 -7.316 -1.479 1.00 0.00 O ATOM 986 CB THR A 68 -0.160 -7.726 -4.403 1.00 0.00 C ATOM 987 OG1 THR A 68 0.112 -7.463 -5.784 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.457 -8.510 -4.276 1.00 0.00 C ATOM 0 H THR A 68 1.795 -5.992 -3.339 1.00 0.00 H new ATOM 0 HA THR A 68 -1.070 -5.809 -4.010 1.00 0.00 H new ATOM 0 HB THR A 68 0.649 -8.322 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.164 -8.310 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.376 -9.441 -4.837 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.645 -8.734 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.281 -7.917 -4.674 1.00 0.00 H new ATOM 996 N VAL A 69 -1.648 -6.288 -1.648 1.00 0.00 N ATOM 997 CA VAL A 69 -2.009 -6.520 -0.254 1.00 0.00 C ATOM 998 C VAL A 69 -2.789 -7.821 -0.098 1.00 0.00 C ATOM 999 O VAL A 69 -3.541 -8.216 -0.988 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.850 -5.359 0.309 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.067 -5.533 1.804 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.183 -4.025 0.011 1.00 0.00 C ATOM 0 H VAL A 69 -2.352 -5.784 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.077 -6.589 0.307 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.825 -5.369 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.663 -4.703 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.591 -6.471 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.103 -5.550 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.791 -3.216 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.195 -4.002 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.085 -3.900 -1.067 1.00 0.00 H new ATOM 1012 N SER A 70 -2.604 -8.481 1.041 1.00 0.00 N ATOM 1013 CA SER A 70 -3.288 -9.740 1.313 1.00 0.00 C ATOM 1014 C SER A 70 -3.657 -9.849 2.790 1.00 0.00 C ATOM 1015 O SER A 70 -3.375 -8.949 3.580 1.00 0.00 O ATOM 1016 CB SER A 70 -2.406 -10.923 0.908 1.00 0.00 C ATOM 1017 OG SER A 70 -1.441 -11.205 1.907 1.00 0.00 O ATOM 0 H SER A 70 -1.987 -8.165 1.789 1.00 0.00 H new ATOM 0 HA SER A 70 -4.205 -9.761 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.027 -11.803 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.905 -10.701 -0.034 1.00 0.00 H new ATOM 0 HG SER A 70 -0.891 -11.966 1.625 1.00 0.00 H new ATOM 1023 N SER A 71 -4.291 -10.959 3.154 1.00 0.00 N ATOM 1024 CA SER A 71 -4.703 -11.186 4.534 1.00 0.00 C ATOM 1025 C SER A 71 -5.875 -10.282 4.907 1.00 0.00 C ATOM 1026 O SER A 71 -5.972 -9.806 6.039 1.00 0.00 O ATOM 1027 CB SER A 71 -3.531 -10.939 5.486 1.00 0.00 C ATOM 1028 OG SER A 71 -3.785 -11.497 6.763 1.00 0.00 O ATOM 0 H SER A 71 -4.530 -11.715 2.512 1.00 0.00 H new ATOM 0 HA SER A 71 -5.023 -12.224 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.622 -11.374 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.356 -9.867 5.582 1.00 0.00 H new ATOM 0 HG SER A 71 -4.616 -11.123 7.124 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.763 -10.050 3.947 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.930 -9.204 4.172 1.00 0.00 C ATOM 1036 C LEU A 72 -9.215 -10.026 4.133 1.00 0.00 C ATOM 1037 O LEU A 72 -9.178 -11.247 3.981 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.989 -8.093 3.121 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.643 -7.597 2.593 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.843 -6.711 1.373 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.885 -6.850 3.680 1.00 0.00 C ATOM 0 H LEU A 72 -6.697 -10.436 3.005 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.838 -8.756 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.579 -8.450 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.524 -7.245 3.548 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.050 -8.462 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.874 -6.367 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.343 -7.279 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.455 -5.851 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.929 -6.505 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.472 -5.993 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.709 -7.516 4.525 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.349 -9.347 4.269 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.646 -10.014 4.247 1.00 0.00 C ATOM 1055 C LEU A 73 -12.450 -9.601 3.018 1.00 0.00 C ATOM 1056 O LEU A 73 -12.509 -8.427 2.650 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.432 -9.686 5.517 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.745 -10.031 6.839 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.455 -9.356 8.002 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.703 -11.539 7.040 1.00 0.00 C ATOM 0 H LEU A 73 -10.396 -8.336 4.396 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.473 -11.089 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.658 -8.620 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.385 -10.214 5.477 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.721 -9.660 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.952 -9.613 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.433 -8.275 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.490 -9.695 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.211 -11.766 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.719 -11.932 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.149 -12.000 6.222 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.085 -10.587 2.367 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.899 -10.350 1.171 1.00 0.00 C ATOM 1074 C PRO A 74 -15.186 -9.595 1.486 1.00 0.00 C ATOM 1075 O PRO A 74 -15.623 -9.545 2.636 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.216 -11.762 0.673 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.126 -12.621 1.886 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.059 -12.009 2.749 1.00 0.00 C ATOM 0 HA PRO A 74 -13.379 -9.732 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.209 -11.811 0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.507 -12.081 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.080 -12.655 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.872 -13.647 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.273 -12.144 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.084 -12.458 2.561 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.790 -9.009 0.457 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.022 -8.264 0.646 1.00 0.00 C ATOM 1088 C GLY A 75 -16.914 -7.237 1.755 1.00 0.00 C ATOM 1089 O GLY A 75 -17.897 -6.942 2.436 1.00 0.00 O ATOM 0 H GLY A 75 -15.449 -9.037 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.286 -7.762 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.831 -8.958 0.875 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.718 -6.690 1.938 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.484 -5.689 2.973 1.00 0.00 C ATOM 1095 C LYS A 76 -14.609 -4.556 2.446 1.00 0.00 C ATOM 1096 O LYS A 76 -13.698 -4.780 1.648 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.822 -6.333 4.193 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.718 -7.321 4.920 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.714 -6.611 5.822 1.00 0.00 C ATOM 1100 CE LYS A 76 -16.129 -6.347 7.201 1.00 0.00 C ATOM 1101 NZ LYS A 76 -17.179 -6.337 8.257 1.00 0.00 N ATOM 0 H LYS A 76 -14.894 -6.923 1.383 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.448 -5.274 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.914 -6.845 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.520 -5.550 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.254 -7.930 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.106 -7.999 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.011 -5.667 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.615 -7.217 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.388 -7.112 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.609 -5.389 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.740 -6.154 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.873 -5.591 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.659 -7.259 8.278 1.00 0.00 H new ATOM 1115 N THR A 77 -14.890 -3.338 2.898 1.00 0.00 N ATOM 1116 CA THR A 77 -14.129 -2.170 2.472 1.00 0.00 C ATOM 1117 C THR A 77 -12.887 -1.979 3.335 1.00 0.00 C ATOM 1118 O THR A 77 -12.838 -2.432 4.479 1.00 0.00 O ATOM 1119 CB THR A 77 -14.984 -0.890 2.532 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.219 -1.093 1.837 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.239 0.287 1.920 1.00 0.00 C ATOM 0 H THR A 77 -15.639 -3.135 3.559 1.00 0.00 H new ATOM 0 HA THR A 77 -13.827 -2.348 1.440 1.00 0.00 H new ATOM 0 HB THR A 77 -15.190 -0.665 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.757 -0.275 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.862 1.180 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.313 0.457 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.007 0.068 0.878 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.885 -1.305 2.781 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.641 -1.056 3.499 1.00 0.00 C ATOM 1131 C TYR A 78 -10.023 0.272 3.074 1.00 0.00 C ATOM 1132 O TYR A 78 -9.808 0.517 1.887 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.650 -2.195 3.256 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.919 -3.423 4.095 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.980 -4.270 3.801 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.112 -3.736 5.182 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.231 -5.393 4.566 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.354 -4.857 5.952 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.415 -5.682 5.640 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.660 -6.800 6.404 1.00 0.00 O ATOM 0 H TYR A 78 -11.910 -0.921 1.836 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.870 -1.005 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.680 -2.472 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.641 -1.838 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.620 -4.047 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.281 -3.092 5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.061 -6.040 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.717 -5.086 6.793 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.993 -6.859 7.120 1.00 0.00 H new ATOM 1150 N SER A 79 -9.739 1.126 4.052 1.00 0.00 N ATOM 1151 CA SER A 79 -9.148 2.431 3.780 1.00 0.00 C ATOM 1152 C SER A 79 -7.633 2.321 3.632 1.00 0.00 C ATOM 1153 O SER A 79 -6.931 1.946 4.572 1.00 0.00 O ATOM 1154 CB SER A 79 -9.492 3.414 4.901 1.00 0.00 C ATOM 1155 OG SER A 79 -8.627 3.246 6.010 1.00 0.00 O ATOM 0 H SER A 79 -9.909 0.938 5.040 1.00 0.00 H new ATOM 0 HA SER A 79 -9.562 2.801 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.417 4.436 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.525 3.265 5.216 1.00 0.00 H new ATOM 0 HG SER A 79 -8.037 2.480 5.851 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.135 2.651 2.445 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.704 2.589 2.172 1.00 0.00 C ATOM 1163 C PHE A 80 -5.101 3.989 2.114 1.00 0.00 C ATOM 1164 O PHE A 80 -5.794 4.964 1.825 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.446 1.855 0.854 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.815 0.400 0.897 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.123 -0.004 0.684 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.853 -0.565 1.149 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.465 -1.342 0.724 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.188 -1.905 1.189 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.496 -2.294 0.975 1.00 0.00 C ATOM 0 H PHE A 80 -7.701 2.964 1.657 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.228 2.040 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.011 2.342 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.391 1.947 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.884 0.736 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.829 -0.266 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.489 -1.643 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.429 -2.647 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.761 -3.341 1.004 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.804 4.080 2.391 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.106 5.360 2.372 1.00 0.00 C ATOM 1183 C ARG A 81 -1.749 5.230 1.687 1.00 0.00 C ATOM 1184 O ARG A 81 -1.341 4.135 1.298 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.922 5.886 3.797 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.095 6.713 4.297 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.267 6.583 5.802 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.251 7.333 6.536 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.385 7.707 7.803 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.487 7.401 8.475 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.416 8.387 8.402 1.00 0.00 N ATOM 0 H ARG A 81 -3.215 3.282 2.631 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.712 6.067 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.770 5.042 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.017 6.493 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.941 7.760 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.008 6.391 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.257 6.940 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.215 5.531 6.083 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.391 7.583 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.234 6.877 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.588 7.689 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.567 8.623 7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.521 8.674 9.375 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.055 6.353 1.543 1.00 0.00 N ATOM 1206 CA LEU A 82 0.257 6.365 0.905 1.00 0.00 C ATOM 1207 C LEU A 82 1.128 7.482 1.471 1.00 0.00 C ATOM 1208 O LEU A 82 0.651 8.591 1.715 1.00 0.00 O ATOM 1209 CB LEU A 82 0.109 6.535 -0.608 1.00 0.00 C ATOM 1210 CG LEU A 82 1.410 6.675 -1.399 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.205 5.379 -1.352 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.119 7.072 -2.838 1.00 0.00 C ATOM 0 H LEU A 82 -1.378 7.267 1.859 1.00 0.00 H new ATOM 0 HA LEU A 82 0.742 5.411 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.439 5.677 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.504 7.417 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 82 2.009 7.462 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.128 5.497 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.445 5.137 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.613 4.573 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.056 7.167 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.500 6.308 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.592 8.026 -2.853 1.00 0.00 H new ATOM 1224 N ARG A 83 2.407 7.183 1.675 1.00 0.00 N ATOM 1225 CA ARG A 83 3.344 8.163 2.211 1.00 0.00 C ATOM 1226 C ARG A 83 4.747 7.931 1.659 1.00 0.00 C ATOM 1227 O ARG A 83 5.223 6.797 1.600 1.00 0.00 O ATOM 1228 CB ARG A 83 3.368 8.094 3.739 1.00 0.00 C ATOM 1229 CG ARG A 83 4.223 6.962 4.285 1.00 0.00 C ATOM 1230 CD ARG A 83 4.434 7.097 5.785 1.00 0.00 C ATOM 1231 NE ARG A 83 4.876 5.843 6.390 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.526 5.775 7.546 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.807 6.882 8.219 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.895 4.596 8.032 1.00 0.00 N ATOM 0 H ARG A 83 2.818 6.271 1.477 1.00 0.00 H new ATOM 0 HA ARG A 83 3.010 9.154 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.740 9.041 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.348 7.976 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.745 6.007 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.189 6.958 3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.174 7.874 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.504 7.418 6.255 1.00 0.00 H new ATOM 0 HE ARG A 83 4.674 4.973 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.524 7.789 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.306 6.826 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.679 3.742 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.394 4.544 8.920 1.00 0.00 H new ATOM 1248 N ALA A 84 5.405 9.013 1.254 1.00 0.00 N ATOM 1249 CA ALA A 84 6.754 8.928 0.708 1.00 0.00 C ATOM 1250 C ALA A 84 7.790 9.373 1.734 1.00 0.00 C ATOM 1251 O ALA A 84 7.489 10.155 2.636 1.00 0.00 O ATOM 1252 CB ALA A 84 6.865 9.767 -0.556 1.00 0.00 C ATOM 0 H ALA A 84 5.025 9.959 1.294 1.00 0.00 H new ATOM 0 HA ALA A 84 6.954 7.886 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.877 9.694 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.157 9.401 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.641 10.808 -0.323 1.00 0.00 H new ATOM 1258 N ALA A 85 9.012 8.871 1.590 1.00 0.00 N ATOM 1259 CA ALA A 85 10.094 9.218 2.504 1.00 0.00 C ATOM 1260 C ALA A 85 11.380 9.521 1.743 1.00 0.00 C ATOM 1261 O ALA A 85 11.716 8.837 0.777 1.00 0.00 O ATOM 1262 CB ALA A 85 10.322 8.094 3.504 1.00 0.00 C ATOM 0 H ALA A 85 9.278 8.222 0.849 1.00 0.00 H new ATOM 0 HA ALA A 85 9.803 10.118 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.132 8.367 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.411 7.928 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.586 7.181 2.971 1.00 0.00 H new ATOM 1268 N ASN A 86 12.095 10.551 2.183 1.00 0.00 N ATOM 1269 CA ASN A 86 13.344 10.945 1.542 1.00 0.00 C ATOM 1270 C ASN A 86 14.476 11.030 2.561 1.00 0.00 C ATOM 1271 O ASN A 86 14.298 10.693 3.732 1.00 0.00 O ATOM 1272 CB ASN A 86 13.176 12.292 0.836 1.00 0.00 C ATOM 1273 CG ASN A 86 12.484 13.320 1.709 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.381 13.151 2.924 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.006 14.395 1.092 1.00 0.00 N ATOM 0 H ASN A 86 11.831 11.128 2.981 1.00 0.00 H new ATOM 0 HA ASN A 86 13.600 10.185 0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.155 12.669 0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.601 12.150 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.531 15.122 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.114 14.494 0.083 1.00 0.00 H new ATOM 1282 N LYS A 87 15.639 11.484 2.109 1.00 0.00 N ATOM 1283 CA LYS A 87 16.801 11.616 2.980 1.00 0.00 C ATOM 1284 C LYS A 87 16.449 12.397 4.241 1.00 0.00 C ATOM 1285 O LYS A 87 17.178 12.356 5.232 1.00 0.00 O ATOM 1286 CB LYS A 87 17.944 12.312 2.238 1.00 0.00 C ATOM 1287 CG LYS A 87 17.511 13.559 1.486 1.00 0.00 C ATOM 1288 CD LYS A 87 18.706 14.366 1.008 1.00 0.00 C ATOM 1289 CE LYS A 87 18.330 15.815 0.743 1.00 0.00 C ATOM 1290 NZ LYS A 87 19.531 16.690 0.640 1.00 0.00 N ATOM 0 H LYS A 87 15.803 11.767 1.143 1.00 0.00 H new ATOM 0 HA LYS A 87 17.121 10.616 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.720 12.581 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.390 11.610 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.898 13.275 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.889 14.177 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.497 14.325 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.106 13.921 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.755 15.878 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.686 16.175 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.232 17.670 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.067 16.650 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.134 16.362 -0.142 1.00 0.00 H new ATOM 1304 N MET A 88 15.326 13.108 4.198 1.00 0.00 N ATOM 1305 CA MET A 88 14.877 13.896 5.339 1.00 0.00 C ATOM 1306 C MET A 88 14.066 13.039 6.306 1.00 0.00 C ATOM 1307 O MET A 88 14.394 12.941 7.488 1.00 0.00 O ATOM 1308 CB MET A 88 14.038 15.085 4.866 1.00 0.00 C ATOM 1309 CG MET A 88 14.728 15.933 3.810 1.00 0.00 C ATOM 1310 SD MET A 88 16.079 16.919 4.484 1.00 0.00 S ATOM 1311 CE MET A 88 17.446 15.774 4.323 1.00 0.00 C ATOM 0 H MET A 88 14.711 13.154 3.385 1.00 0.00 H new ATOM 0 HA MET A 88 15.758 14.267 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.094 14.716 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.796 15.713 5.724 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.114 15.284 3.024 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.997 16.595 3.346 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.777 15.461 5.313 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.125 14.901 3.755 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.270 16.262 3.803 1.00 0.00 H new ATOM 1321 N GLY A 89 13.005 12.422 5.796 1.00 0.00 N ATOM 1322 CA GLY A 89 12.163 11.582 6.629 1.00 0.00 C ATOM 1323 C GLY A 89 10.871 11.192 5.940 1.00 0.00 C ATOM 1324 O GLY A 89 10.757 11.287 4.718 1.00 0.00 O ATOM 0 H GLY A 89 12.713 12.488 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.712 10.681 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.933 12.109 7.555 1.00 0.00 H new ATOM 1328 N PHE A 90 9.894 10.749 6.725 1.00 0.00 N ATOM 1329 CA PHE A 90 8.604 10.340 6.183 1.00 0.00 C ATOM 1330 C PHE A 90 7.586 11.472 6.287 1.00 0.00 C ATOM 1331 O PHE A 90 7.465 12.118 7.327 1.00 0.00 O ATOM 1332 CB PHE A 90 8.086 9.104 6.920 1.00 0.00 C ATOM 1333 CG PHE A 90 8.539 7.808 6.311 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.816 7.218 5.287 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.688 7.179 6.763 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.231 6.026 4.723 1.00 0.00 C ATOM 1337 CE2 PHE A 90 10.108 5.987 6.203 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.378 5.409 5.183 1.00 0.00 C ATOM 0 H PHE A 90 9.972 10.664 7.739 1.00 0.00 H new ATOM 0 HA PHE A 90 8.742 10.095 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.418 9.144 7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.996 9.129 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.917 7.695 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.262 7.625 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.659 5.578 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.007 5.508 6.563 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.703 4.477 4.746 1.00 0.00 H new ATOM 1348 N GLY A 91 6.857 11.707 5.200 1.00 0.00 N ATOM 1349 CA GLY A 91 5.860 12.761 5.189 1.00 0.00 C ATOM 1350 C GLY A 91 4.475 12.253 5.538 1.00 0.00 C ATOM 1351 O GLY A 91 4.298 11.110 5.961 1.00 0.00 O ATOM 0 H GLY A 91 6.939 11.186 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.148 13.537 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.836 13.224 4.202 1.00 0.00 H new ATOM 1355 N PRO A 92 3.463 13.115 5.362 1.00 0.00 N ATOM 1356 CA PRO A 92 2.069 12.770 5.657 1.00 0.00 C ATOM 1357 C PRO A 92 1.503 11.752 4.672 1.00 0.00 C ATOM 1358 O PRO A 92 1.951 11.665 3.529 1.00 0.00 O ATOM 1359 CB PRO A 92 1.336 14.107 5.524 1.00 0.00 C ATOM 1360 CG PRO A 92 2.181 14.911 4.597 1.00 0.00 C ATOM 1361 CD PRO A 92 3.600 14.493 4.862 1.00 0.00 C ATOM 0 HA PRO A 92 1.963 12.306 6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.331 13.970 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.231 14.599 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.907 14.725 3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.049 15.978 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.206 14.534 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.079 15.141 5.596 1.00 0.00 H new ATOM 1369 N PHE A 93 0.515 10.986 5.122 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.112 9.974 4.280 1.00 0.00 C ATOM 1371 C PHE A 93 -1.089 10.613 3.298 1.00 0.00 C ATOM 1372 O PHE A 93 -1.524 11.749 3.488 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.840 8.941 5.143 1.00 0.00 C ATOM 1374 CG PHE A 93 0.015 7.766 5.522 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.326 6.790 4.590 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.508 7.639 6.811 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.114 5.707 4.936 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.296 6.559 7.162 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.598 5.592 6.224 1.00 0.00 C ATOM 0 H PHE A 93 0.131 11.047 6.065 1.00 0.00 H new ATOM 0 HA PHE A 93 0.672 9.474 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.199 9.426 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.717 8.583 4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.051 6.875 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.274 8.392 7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.350 4.953 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.675 6.472 8.169 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.212 4.747 6.497 1.00 0.00 H new ATOM 1389 N SER A 94 -1.430 9.874 2.247 1.00 0.00 N ATOM 1390 CA SER A 94 -2.353 10.370 1.232 1.00 0.00 C ATOM 1391 C SER A 94 -3.798 10.243 1.703 1.00 0.00 C ATOM 1392 O SER A 94 -4.058 9.865 2.845 1.00 0.00 O ATOM 1393 CB SER A 94 -2.162 9.603 -0.079 1.00 0.00 C ATOM 1394 OG SER A 94 -2.739 8.311 -0.002 1.00 0.00 O ATOM 0 H SER A 94 -1.082 8.931 2.076 1.00 0.00 H new ATOM 0 HA SER A 94 -2.136 11.425 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.616 10.159 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.099 9.517 -0.302 1.00 0.00 H new ATOM 0 HG SER A 94 -3.707 8.376 -0.142 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.734 10.561 0.814 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.153 10.484 1.139 1.00 0.00 C ATOM 1402 C GLU A 95 -6.610 9.031 1.240 1.00 0.00 C ATOM 1403 O GLU A 95 -6.308 8.212 0.373 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.982 11.218 0.083 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.687 12.707 0.005 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.699 13.458 -0.838 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.912 13.222 -0.661 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.277 14.283 -1.676 1.00 0.00 O ATOM 0 H GLU A 95 -4.535 10.874 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.304 10.963 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.795 10.767 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.041 11.077 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.677 13.125 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.691 12.855 -0.412 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.339 8.720 2.307 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.838 7.367 2.523 1.00 0.00 C ATOM 1417 C LYS A 96 -8.756 6.937 1.384 1.00 0.00 C ATOM 1418 O LYS A 96 -9.844 7.488 1.209 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.589 7.286 3.855 1.00 0.00 C ATOM 1420 CG LYS A 96 -7.706 7.533 5.066 1.00 0.00 C ATOM 1421 CD LYS A 96 -8.525 7.631 6.342 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.203 8.987 6.467 1.00 0.00 C ATOM 1423 NZ LYS A 96 -9.877 9.151 7.785 1.00 0.00 N ATOM 0 H LYS A 96 -7.597 9.386 3.035 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.983 6.691 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.399 8.016 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.048 6.301 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.980 6.725 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.141 8.454 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.279 6.844 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.879 7.465 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.463 9.776 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.935 9.102 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.327 10.088 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.601 8.413 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.174 9.067 8.547 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.312 5.951 0.613 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.095 5.447 -0.510 1.00 0.00 C ATOM 1439 C CYS A 97 -9.791 4.140 -0.145 1.00 0.00 C ATOM 1440 O CYS A 97 -9.195 3.065 -0.219 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.197 5.236 -1.731 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.065 4.601 -3.184 1.00 0.00 S ATOM 0 H CYS A 97 -7.414 5.485 0.745 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.857 6.188 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.724 6.184 -1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.399 4.543 -1.466 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.223 4.458 -4.164 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.055 4.240 0.252 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.833 3.066 0.631 1.00 0.00 C ATOM 1450 C ASP A 98 -12.007 2.124 -0.556 1.00 0.00 C ATOM 1451 O ASP A 98 -12.576 2.501 -1.582 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.201 3.487 1.169 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.191 3.703 2.670 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.977 2.720 3.410 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.396 4.856 3.104 1.00 0.00 O ATOM 0 H ASP A 98 -11.563 5.122 0.320 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.290 2.538 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.516 4.406 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.937 2.723 0.920 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.514 0.899 -0.410 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.615 -0.096 -1.470 1.00 0.00 C ATOM 1462 C ILE A 99 -12.401 -1.317 -1.004 1.00 0.00 C ATOM 1463 O ILE A 99 -12.115 -1.890 0.048 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.224 -0.548 -1.953 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.434 0.646 -2.491 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.358 -1.625 -3.019 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.027 0.296 -2.920 1.00 0.00 C ATOM 0 H ILE A 99 -11.041 0.572 0.432 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.141 0.378 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.680 -0.967 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.969 1.072 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.389 1.418 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.367 -1.934 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.886 -2.484 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.917 -1.230 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.526 1.191 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.475 -0.102 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.064 -0.453 -3.711 1.00 0.00 H new ATOM 1479 N THR A 100 -13.393 -1.713 -1.796 1.00 0.00 N ATOM 1480 CA THR A 100 -14.220 -2.867 -1.466 1.00 0.00 C ATOM 1481 C THR A 100 -13.709 -4.126 -2.157 1.00 0.00 C ATOM 1482 O THR A 100 -13.605 -4.176 -3.383 1.00 0.00 O ATOM 1483 CB THR A 100 -15.690 -2.637 -1.865 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.130 -1.357 -1.397 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.583 -3.727 -1.292 1.00 0.00 C ATOM 0 H THR A 100 -13.643 -1.251 -2.670 1.00 0.00 H new ATOM 0 HA THR A 100 -14.161 -2.999 -0.386 1.00 0.00 H new ATOM 0 HB THR A 100 -15.758 -2.669 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.149 -1.356 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.616 -3.543 -1.587 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.264 -4.697 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.510 -3.723 -0.204 1.00 0.00 H new ATOM 1493 N THR A 101 -13.391 -5.144 -1.363 1.00 0.00 N ATOM 1494 CA THR A 101 -12.890 -6.403 -1.898 1.00 0.00 C ATOM 1495 C THR A 101 -13.980 -7.149 -2.660 1.00 0.00 C ATOM 1496 O THR A 101 -15.111 -6.677 -2.764 1.00 0.00 O ATOM 1497 CB THR A 101 -12.347 -7.313 -0.780 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.373 -7.565 0.187 1.00 0.00 O ATOM 1499 CG2 THR A 101 -11.147 -6.675 -0.098 1.00 0.00 C ATOM 0 H THR A 101 -13.472 -5.120 -0.346 1.00 0.00 H new ATOM 0 HA THR A 101 -12.077 -6.155 -2.581 1.00 0.00 H new ATOM 0 HB THR A 101 -12.031 -8.255 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.963 -7.821 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.781 -7.336 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.357 -6.510 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.441 -5.721 0.339 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.631 -8.316 -3.191 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.581 -9.129 -3.941 1.00 0.00 C ATOM 1509 C ALA A 102 -15.456 -9.955 -3.005 1.00 0.00 C ATOM 1510 O ALA A 102 -15.042 -10.347 -1.914 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.845 -10.036 -4.916 1.00 0.00 C ATOM 0 H ALA A 102 -12.697 -8.720 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.230 -8.458 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.567 -10.637 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.268 -9.429 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.172 -10.693 -4.365 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.696 -10.225 -3.439 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.656 -11.007 -2.654 1.00 0.00 C ATOM 1519 C PRO A 103 -17.264 -12.478 -2.556 1.00 0.00 C ATOM 1520 O PRO A 103 -17.991 -13.287 -1.982 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.963 -10.854 -3.436 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.536 -10.573 -4.836 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.257 -9.790 -4.729 1.00 0.00 C ATOM 0 HA PRO A 103 -17.717 -10.659 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.566 -11.760 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.571 -10.042 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.382 -11.499 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.298 -10.005 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.581 -10.010 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.441 -8.716 -4.745 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.108 -12.816 -3.120 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.639 -14.189 -3.085 1.00 0.00 C ATOM 1533 C GLY A 104 -16.268 -15.044 -4.167 1.00 0.00 C ATOM 1534 O GLY A 104 -15.967 -14.883 -5.349 1.00 0.00 O ATOM 0 H GLY A 104 -15.488 -12.164 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.555 -14.203 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.862 -14.621 -2.109 1.00 0.00 H new