USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 11 SER OG : rot 122:sc= -0.252 USER MOD Set 1.2: A 42 HIS : no HE2:sc= 0.352 K(o=0.1,f=-1.6) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 67:sc= 1.16 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 10 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc=-0.000831 (180deg=-0.121) USER MOD Single : A 18 SER OG : rot -171:sc= -0.992 USER MOD Single : A 21 SER OG : rot 180:sc= 0.231 USER MOD Single : A 24 SER OG : rot -160:sc= -0.585 USER MOD Single : A 26 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.9!) USER MOD Single : A 63 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.0035) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 116:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0961) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0927) USER MOD Single : A 71 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.34) USER MOD Single : A 72 SER OG : rot 120:sc= -0.462 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.632 F(o=-1.7,f=-0.63) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.981) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.564 (180deg=-0.647) USER MOD Single : A 91 THR OG1 : rot -76:sc= 0.655 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.429 F(o=-1.3,f=-0.43) USER MOD Single : A 95 SER OG : rot -10:sc= 1.01 USER MOD Single : A 96 SER OG : rot 80:sc= -2.43! USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= -0.246 (180deg=-2.12!) USER MOD Single : A 104 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.94) USER MOD Single : A 106 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 108 SER OG : rot 60:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.687 9.747 -22.415 1.00 0.00 N ATOM 2 CA GLU A 1 -22.906 10.089 -23.849 1.00 0.00 C ATOM 3 C GLU A 1 -22.105 11.340 -24.192 1.00 0.00 C ATOM 4 O GLU A 1 -21.171 11.297 -24.992 1.00 0.00 O ATOM 5 CB GLU A 1 -24.386 10.348 -24.141 1.00 0.00 C ATOM 6 CG GLU A 1 -24.680 10.034 -25.609 1.00 0.00 C ATOM 7 CD GLU A 1 -26.179 10.151 -25.865 1.00 0.00 C ATOM 8 OE1 GLU A 1 -26.655 11.269 -25.977 1.00 0.00 O ATOM 9 OE2 GLU A 1 -26.828 9.122 -25.945 1.00 0.00 O ATOM 0 H1 GLU A 1 -23.231 8.894 -22.175 1.00 0.00 H new ATOM 0 H2 GLU A 1 -21.675 9.570 -22.251 1.00 0.00 H new ATOM 0 H3 GLU A 1 -23.002 10.538 -21.818 1.00 0.00 H new ATOM 0 HA GLU A 1 -22.579 9.245 -24.456 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -25.009 9.730 -23.494 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -24.634 11.387 -23.924 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -24.135 10.722 -26.255 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -24.336 9.029 -25.853 1.00 0.00 H new ATOM 18 N THR A 2 -22.482 12.456 -23.575 1.00 0.00 N ATOM 19 CA THR A 2 -21.793 13.719 -23.820 1.00 0.00 C ATOM 20 C THR A 2 -21.850 14.609 -22.573 1.00 0.00 C ATOM 21 O THR A 2 -22.636 15.555 -22.510 1.00 0.00 O ATOM 22 CB THR A 2 -22.433 14.459 -24.998 1.00 0.00 C ATOM 23 OG1 THR A 2 -23.751 14.855 -24.647 1.00 0.00 O ATOM 24 CG2 THR A 2 -22.483 13.536 -26.216 1.00 0.00 C ATOM 0 H THR A 2 -23.252 12.512 -22.909 1.00 0.00 H new ATOM 0 HA THR A 2 -20.753 13.496 -24.058 1.00 0.00 H new ATOM 0 HB THR A 2 -21.840 15.342 -25.238 1.00 0.00 H new ATOM 0 HG1 THR A 2 -23.712 15.529 -23.937 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.939 14.064 -27.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.471 13.233 -26.485 1.00 0.00 H new ATOM 0 HG23 THR A 2 -23.075 12.652 -25.979 1.00 0.00 H new ATOM 32 N PRO A 3 -21.016 14.317 -21.565 1.00 0.00 N ATOM 33 CA PRO A 3 -20.984 15.101 -20.321 1.00 0.00 C ATOM 34 C PRO A 3 -20.332 16.469 -20.517 1.00 0.00 C ATOM 35 O PRO A 3 -20.001 16.860 -21.636 1.00 0.00 O ATOM 36 CB PRO A 3 -20.151 14.247 -19.369 1.00 0.00 C ATOM 37 CG PRO A 3 -19.288 13.410 -20.249 1.00 0.00 C ATOM 38 CD PRO A 3 -20.039 13.212 -21.534 1.00 0.00 C ATOM 0 HA PRO A 3 -21.988 15.309 -19.951 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -19.551 14.869 -18.705 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -20.787 13.627 -18.737 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.332 13.900 -20.432 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.070 12.452 -19.778 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.371 13.249 -22.394 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.536 12.242 -21.558 1.00 0.00 H new ATOM 46 N ARG A 4 -20.154 17.188 -19.413 1.00 0.00 N ATOM 47 CA ARG A 4 -19.542 18.513 -19.470 1.00 0.00 C ATOM 48 C ARG A 4 -18.641 18.734 -18.260 1.00 0.00 C ATOM 49 O ARG A 4 -17.492 19.159 -18.391 1.00 0.00 O ATOM 50 CB ARG A 4 -20.617 19.600 -19.497 1.00 0.00 C ATOM 51 CG ARG A 4 -21.078 19.827 -20.938 1.00 0.00 C ATOM 52 CD ARG A 4 -21.505 21.285 -21.114 1.00 0.00 C ATOM 53 NE ARG A 4 -20.341 22.166 -21.122 1.00 0.00 N ATOM 54 CZ ARG A 4 -20.480 23.487 -21.188 1.00 0.00 C ATOM 55 NH1 ARG A 4 -20.990 24.036 -22.257 1.00 0.00 N ATOM 56 NH2 ARG A 4 -20.108 24.234 -20.185 1.00 0.00 N ATOM 0 H ARG A 4 -20.421 16.881 -18.478 1.00 0.00 H new ATOM 0 HA ARG A 4 -18.948 18.570 -20.382 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -21.463 19.305 -18.876 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.223 20.527 -19.080 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -20.272 19.587 -21.631 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -21.909 19.163 -21.174 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.059 21.397 -22.046 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -22.179 21.572 -20.307 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.406 21.762 -21.076 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -21.282 23.452 -23.041 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -21.097 25.049 -22.308 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.710 23.805 -19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -20.215 25.247 -20.236 1.00 0.00 H new ATOM 70 N GLU A 5 -19.175 18.441 -17.078 1.00 0.00 N ATOM 71 CA GLU A 5 -18.411 18.610 -15.845 1.00 0.00 C ATOM 72 C GLU A 5 -17.689 17.317 -15.485 1.00 0.00 C ATOM 73 O GLU A 5 -16.460 17.270 -15.425 1.00 0.00 O ATOM 74 CB GLU A 5 -19.336 19.002 -14.692 1.00 0.00 C ATOM 75 CG GLU A 5 -19.915 20.394 -14.951 1.00 0.00 C ATOM 76 CD GLU A 5 -18.975 21.451 -14.382 1.00 0.00 C ATOM 77 OE1 GLU A 5 -18.470 21.240 -13.292 1.00 0.00 O ATOM 78 OE2 GLU A 5 -18.773 22.455 -15.046 1.00 0.00 O ATOM 0 H GLU A 5 -20.123 18.089 -16.947 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.679 19.401 -16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.141 18.274 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.785 18.995 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.049 20.550 -16.021 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.899 20.481 -14.490 1.00 0.00 H new ATOM 85 N LYS A 6 -18.468 16.264 -15.245 1.00 0.00 N ATOM 86 CA LYS A 6 -17.897 14.965 -14.890 1.00 0.00 C ATOM 87 C LYS A 6 -17.090 15.071 -13.599 1.00 0.00 C ATOM 88 O LYS A 6 -15.880 15.300 -13.623 1.00 0.00 O ATOM 89 CB LYS A 6 -16.983 14.455 -16.008 1.00 0.00 C ATOM 90 CG LYS A 6 -17.048 12.928 -16.067 1.00 0.00 C ATOM 91 CD LYS A 6 -16.412 12.440 -17.371 1.00 0.00 C ATOM 92 CE LYS A 6 -15.949 10.992 -17.202 1.00 0.00 C ATOM 93 NZ LYS A 6 -14.803 10.679 -18.104 1.00 0.00 N ATOM 0 H LYS A 6 -19.487 16.283 -15.289 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.721 14.265 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.289 14.879 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.958 14.779 -15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.526 12.498 -15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.084 12.595 -16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.131 12.510 -18.187 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.566 13.075 -17.636 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.656 10.820 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.777 10.316 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.512 9.690 -17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.091 10.820 -19.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.005 11.308 -17.883 1.00 0.00 H new ATOM 107 N LEU A 7 -17.774 14.900 -12.472 1.00 0.00 N ATOM 108 CA LEU A 7 -17.112 14.978 -11.173 1.00 0.00 C ATOM 109 C LEU A 7 -16.448 13.648 -10.833 1.00 0.00 C ATOM 110 O LEU A 7 -17.117 12.631 -10.648 1.00 0.00 O ATOM 111 CB LEU A 7 -18.120 15.331 -10.077 1.00 0.00 C ATOM 112 CG LEU A 7 -19.259 14.321 -9.877 1.00 0.00 C ATOM 113 CD1 LEU A 7 -18.916 13.378 -8.720 1.00 0.00 C ATOM 114 CD2 LEU A 7 -20.556 15.066 -9.554 1.00 0.00 C ATOM 0 H LEU A 7 -18.775 14.709 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.353 15.758 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.583 15.438 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.556 16.303 -10.308 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.388 13.742 -10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.727 12.663 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.995 12.842 -8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.782 13.957 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.363 14.347 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.424 15.648 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.806 15.735 -10.378 1.00 0.00 H new ATOM 126 N LYS A 8 -15.120 13.667 -10.756 1.00 0.00 N ATOM 127 CA LYS A 8 -14.366 12.457 -10.439 1.00 0.00 C ATOM 128 C LYS A 8 -12.873 12.763 -10.373 1.00 0.00 C ATOM 129 O LYS A 8 -12.398 13.736 -10.959 1.00 0.00 O ATOM 130 CB LYS A 8 -14.609 11.377 -11.498 1.00 0.00 C ATOM 131 CG LYS A 8 -14.268 11.929 -12.885 1.00 0.00 C ATOM 132 CD LYS A 8 -12.813 11.600 -13.223 1.00 0.00 C ATOM 133 CE LYS A 8 -12.604 11.699 -14.736 1.00 0.00 C ATOM 134 NZ LYS A 8 -11.158 11.822 -15.077 1.00 0.00 N ATOM 0 H LYS A 8 -14.548 14.498 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.707 12.094 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.998 10.500 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.650 11.054 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.933 11.497 -13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.422 13.008 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.144 12.289 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.566 10.597 -12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.020 10.816 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.146 12.561 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.049 11.887 -16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.768 12.678 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.647 10.987 -14.727 1.00 0.00 H new ATOM 148 N GLN A 9 -12.138 11.918 -9.654 1.00 0.00 N ATOM 149 CA GLN A 9 -10.696 12.107 -9.520 1.00 0.00 C ATOM 150 C GLN A 9 -9.960 10.798 -9.803 1.00 0.00 C ATOM 151 O GLN A 9 -9.384 10.617 -10.876 1.00 0.00 O ATOM 152 CB GLN A 9 -10.348 12.592 -8.109 1.00 0.00 C ATOM 153 CG GLN A 9 -10.835 14.031 -7.929 1.00 0.00 C ATOM 154 CD GLN A 9 -9.975 14.734 -6.884 1.00 0.00 C ATOM 155 OE1 GLN A 9 -9.735 14.194 -5.803 1.00 0.00 O ATOM 156 NE2 GLN A 9 -9.491 15.917 -7.144 1.00 0.00 N ATOM 0 H GLN A 9 -12.511 11.106 -9.161 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.383 12.859 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.812 11.944 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.271 12.539 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.782 14.565 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.880 14.036 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.690 16.364 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.914 16.395 -6.452 1.00 0.00 H new ATOM 165 N HIS A 10 -9.985 9.887 -8.831 1.00 0.00 N ATOM 166 CA HIS A 10 -9.316 8.596 -8.987 1.00 0.00 C ATOM 167 C HIS A 10 -9.482 7.751 -7.726 1.00 0.00 C ATOM 168 O HIS A 10 -8.558 7.057 -7.297 1.00 0.00 O ATOM 169 CB HIS A 10 -7.821 8.791 -9.267 1.00 0.00 C ATOM 170 CG HIS A 10 -7.218 9.658 -8.196 1.00 0.00 C ATOM 171 ND1 HIS A 10 -7.093 9.231 -6.883 1.00 0.00 N ATOM 172 CD2 HIS A 10 -6.701 10.929 -8.227 1.00 0.00 C ATOM 173 CE1 HIS A 10 -6.520 10.229 -6.184 1.00 0.00 C ATOM 174 NE2 HIS A 10 -6.261 11.288 -6.957 1.00 0.00 N ATOM 0 H HIS A 10 -10.456 10.017 -7.936 1.00 0.00 H new ATOM 0 HA HIS A 10 -9.776 8.082 -9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.316 7.825 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.681 9.252 -10.245 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.382 8.325 -6.514 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.644 11.556 -9.105 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.297 10.180 -5.128 1.00 0.00 H new ATOM 182 N SER A 11 -10.673 7.815 -7.134 1.00 0.00 N ATOM 183 CA SER A 11 -10.949 7.051 -5.920 1.00 0.00 C ATOM 184 C SER A 11 -12.397 7.254 -5.476 1.00 0.00 C ATOM 185 O SER A 11 -12.690 7.356 -4.284 1.00 0.00 O ATOM 186 CB SER A 11 -10.012 7.485 -4.791 1.00 0.00 C ATOM 187 OG SER A 11 -9.921 6.443 -3.828 1.00 0.00 O ATOM 0 H SER A 11 -11.453 8.380 -7.470 1.00 0.00 H new ATOM 0 HA SER A 11 -10.785 5.996 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.024 7.713 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.385 8.396 -4.323 1.00 0.00 H new ATOM 0 HG SER A 11 -8.984 6.174 -3.725 1.00 0.00 H new ATOM 193 N ASP A 12 -13.303 7.309 -6.451 1.00 0.00 N ATOM 194 CA ASP A 12 -14.725 7.499 -6.154 1.00 0.00 C ATOM 195 C ASP A 12 -15.236 6.403 -5.221 1.00 0.00 C ATOM 196 O ASP A 12 -15.978 6.669 -4.274 1.00 0.00 O ATOM 197 CB ASP A 12 -15.548 7.479 -7.444 1.00 0.00 C ATOM 198 CG ASP A 12 -15.242 6.206 -8.224 1.00 0.00 C ATOM 199 OD1 ASP A 12 -14.090 6.015 -8.580 1.00 0.00 O ATOM 200 OD2 ASP A 12 -16.162 5.438 -8.454 1.00 0.00 O ATOM 0 H ASP A 12 -13.083 7.226 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.836 8.467 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.611 7.528 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.315 8.354 -8.050 1.00 0.00 H new ATOM 205 N ALA A 13 -14.829 5.169 -5.501 1.00 0.00 N ATOM 206 CA ALA A 13 -15.247 4.031 -4.683 1.00 0.00 C ATOM 207 C ALA A 13 -14.062 3.442 -3.911 1.00 0.00 C ATOM 208 O ALA A 13 -14.248 2.718 -2.932 1.00 0.00 O ATOM 209 CB ALA A 13 -15.856 2.938 -5.564 1.00 0.00 C ATOM 0 H ALA A 13 -14.216 4.930 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.991 4.392 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.162 2.097 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.724 3.336 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.116 2.601 -6.290 1.00 0.00 H new ATOM 215 N CYS A 14 -12.845 3.749 -4.358 1.00 0.00 N ATOM 216 CA CYS A 14 -11.647 3.235 -3.696 1.00 0.00 C ATOM 217 C CYS A 14 -11.373 3.971 -2.378 1.00 0.00 C ATOM 218 O CYS A 14 -10.532 3.544 -1.588 1.00 0.00 O ATOM 219 CB CYS A 14 -10.430 3.386 -4.610 1.00 0.00 C ATOM 220 SG CYS A 14 -10.757 2.565 -6.191 1.00 0.00 S ATOM 0 H CYS A 14 -12.663 4.344 -5.166 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.823 2.181 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.214 4.442 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.550 2.950 -4.137 1.00 0.00 H new ATOM 225 N LYS A 15 -12.083 5.077 -2.143 1.00 0.00 N ATOM 226 CA LYS A 15 -11.890 5.843 -0.914 1.00 0.00 C ATOM 227 C LYS A 15 -12.585 5.161 0.264 1.00 0.00 C ATOM 228 O LYS A 15 -12.183 5.327 1.416 1.00 0.00 O ATOM 229 CB LYS A 15 -12.449 7.258 -1.069 1.00 0.00 C ATOM 230 CG LYS A 15 -11.708 8.206 -0.124 1.00 0.00 C ATOM 231 CD LYS A 15 -12.632 9.361 0.267 1.00 0.00 C ATOM 232 CE LYS A 15 -11.883 10.323 1.192 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.626 9.707 2.524 1.00 0.00 N ATOM 0 H LYS A 15 -12.786 5.456 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.818 5.894 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.337 7.594 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.516 7.265 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.383 7.668 0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.811 8.592 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.971 9.887 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.521 8.976 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.937 10.609 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.465 11.236 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.305 10.439 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.502 9.275 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.892 8.976 2.433 1.00 0.00 H new ATOM 247 N ALA A 16 -13.635 4.392 -0.031 1.00 0.00 N ATOM 248 CA ALA A 16 -14.377 3.692 1.018 1.00 0.00 C ATOM 249 C ALA A 16 -13.454 2.766 1.808 1.00 0.00 C ATOM 250 O ALA A 16 -13.175 3.002 2.983 1.00 0.00 O ATOM 251 CB ALA A 16 -15.516 2.868 0.408 1.00 0.00 C ATOM 0 H ALA A 16 -13.987 4.239 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.792 4.442 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.058 2.353 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.197 3.529 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.104 2.134 -0.285 1.00 0.00 H new ATOM 257 N GLU A 17 -12.978 1.713 1.147 1.00 0.00 N ATOM 258 CA GLU A 17 -12.079 0.764 1.799 1.00 0.00 C ATOM 259 C GLU A 17 -10.648 1.290 1.774 1.00 0.00 C ATOM 260 O GLU A 17 -10.038 1.525 2.817 1.00 0.00 O ATOM 261 CB GLU A 17 -12.122 -0.595 1.094 1.00 0.00 C ATOM 262 CG GLU A 17 -11.321 -1.618 1.904 1.00 0.00 C ATOM 263 CD GLU A 17 -11.837 -3.021 1.604 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.036 -3.166 1.430 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.027 -3.931 1.553 1.00 0.00 O ATOM 0 H GLU A 17 -13.196 1.497 0.174 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.409 0.644 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.154 -0.928 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.709 -0.508 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.262 -1.547 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.412 -1.406 2.969 1.00 0.00 H new ATOM 272 N SER A 18 -10.121 1.473 0.567 1.00 0.00 N ATOM 273 CA SER A 18 -8.760 1.974 0.410 1.00 0.00 C ATOM 274 C SER A 18 -8.711 3.476 0.686 1.00 0.00 C ATOM 275 O SER A 18 -8.425 4.284 -0.199 1.00 0.00 O ATOM 276 CB SER A 18 -8.251 1.699 -1.007 1.00 0.00 C ATOM 277 OG SER A 18 -8.813 0.482 -1.480 1.00 0.00 O ATOM 0 H SER A 18 -10.610 1.284 -0.308 1.00 0.00 H new ATOM 0 HA SER A 18 -8.121 1.457 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.524 2.521 -1.670 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.163 1.635 -1.009 1.00 0.00 H new ATOM 0 HG SER A 18 -8.384 0.230 -2.324 1.00 0.00 H new ATOM 283 N GLY A 19 -8.996 3.841 1.934 1.00 0.00 N ATOM 284 CA GLY A 19 -8.983 5.244 2.330 1.00 0.00 C ATOM 285 C GLY A 19 -7.679 5.590 3.036 1.00 0.00 C ATOM 286 O GLY A 19 -7.649 6.417 3.948 1.00 0.00 O ATOM 0 H GLY A 19 -9.237 3.190 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.106 5.877 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.826 5.449 2.990 1.00 0.00 H new ATOM 290 N VAL A 20 -6.595 4.945 2.604 1.00 0.00 N ATOM 291 CA VAL A 20 -5.280 5.184 3.198 1.00 0.00 C ATOM 292 C VAL A 20 -4.914 6.670 3.123 1.00 0.00 C ATOM 293 O VAL A 20 -4.707 7.222 2.042 1.00 0.00 O ATOM 294 CB VAL A 20 -4.215 4.338 2.477 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.117 4.756 1.006 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.851 4.524 3.158 1.00 0.00 C ATOM 0 H VAL A 20 -6.601 4.258 1.850 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.316 4.892 4.248 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.504 3.289 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.361 4.151 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.081 4.606 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.839 5.808 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.102 3.923 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.564 5.575 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.918 4.207 4.199 1.00 0.00 H new ATOM 306 N SER A 21 -4.839 7.305 4.288 1.00 0.00 N ATOM 307 CA SER A 21 -4.499 8.723 4.351 1.00 0.00 C ATOM 308 C SER A 21 -3.042 8.938 3.949 1.00 0.00 C ATOM 309 O SER A 21 -2.378 8.026 3.456 1.00 0.00 O ATOM 310 CB SER A 21 -4.714 9.260 5.767 1.00 0.00 C ATOM 311 OG SER A 21 -3.691 8.762 6.619 1.00 0.00 O ATOM 0 H SER A 21 -5.007 6.866 5.193 1.00 0.00 H new ATOM 0 HA SER A 21 -5.148 9.259 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.700 10.350 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.693 8.956 6.139 1.00 0.00 H new ATOM 0 HG SER A 21 -3.825 9.106 7.527 1.00 0.00 H new ATOM 317 N GLU A 22 -2.551 10.155 4.168 1.00 0.00 N ATOM 318 CA GLU A 22 -1.169 10.485 3.826 1.00 0.00 C ATOM 319 C GLU A 22 -0.174 9.789 4.764 1.00 0.00 C ATOM 320 O GLU A 22 1.031 9.816 4.525 1.00 0.00 O ATOM 321 CB GLU A 22 -0.948 11.996 3.906 1.00 0.00 C ATOM 322 CG GLU A 22 -1.426 12.651 2.608 1.00 0.00 C ATOM 323 CD GLU A 22 -2.949 12.600 2.543 1.00 0.00 C ATOM 324 OE1 GLU A 22 -3.580 13.329 3.292 1.00 0.00 O ATOM 325 OE2 GLU A 22 -3.463 11.833 1.745 1.00 0.00 O ATOM 0 H GLU A 22 -3.083 10.923 4.577 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.996 10.135 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.491 12.409 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.108 12.212 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.084 13.685 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.997 12.135 1.749 1.00 0.00 H new ATOM 332 N GLU A 23 -0.680 9.170 5.836 1.00 0.00 N ATOM 333 CA GLU A 23 0.193 8.483 6.789 1.00 0.00 C ATOM 334 C GLU A 23 1.028 7.410 6.092 1.00 0.00 C ATOM 335 O GLU A 23 2.258 7.465 6.092 1.00 0.00 O ATOM 336 CB GLU A 23 -0.637 7.827 7.895 1.00 0.00 C ATOM 337 CG GLU A 23 0.140 7.867 9.213 1.00 0.00 C ATOM 338 CD GLU A 23 -0.172 9.163 9.950 1.00 0.00 C ATOM 339 OE1 GLU A 23 0.084 10.217 9.391 1.00 0.00 O ATOM 340 OE2 GLU A 23 -0.664 9.085 11.064 1.00 0.00 O ATOM 0 H GLU A 23 -1.674 9.131 6.062 1.00 0.00 H new ATOM 0 HA GLU A 23 0.860 9.228 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.589 8.347 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.867 6.796 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.129 7.011 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.210 7.796 9.018 1.00 0.00 H new ATOM 347 N SER A 24 0.346 6.431 5.501 1.00 0.00 N ATOM 348 CA SER A 24 1.037 5.350 4.806 1.00 0.00 C ATOM 349 C SER A 24 1.676 5.860 3.518 1.00 0.00 C ATOM 350 O SER A 24 2.785 5.464 3.159 1.00 0.00 O ATOM 351 CB SER A 24 0.060 4.225 4.464 1.00 0.00 C ATOM 352 OG SER A 24 -0.962 4.175 5.451 1.00 0.00 O ATOM 0 H SER A 24 -0.672 6.365 5.489 1.00 0.00 H new ATOM 0 HA SER A 24 1.814 4.970 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.377 4.394 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.586 3.271 4.420 1.00 0.00 H new ATOM 0 HG SER A 24 -1.394 3.296 5.430 1.00 0.00 H new ATOM 358 N LEU A 25 0.962 6.745 2.827 1.00 0.00 N ATOM 359 CA LEU A 25 1.467 7.306 1.575 1.00 0.00 C ATOM 360 C LEU A 25 2.772 8.060 1.813 1.00 0.00 C ATOM 361 O LEU A 25 3.753 7.874 1.094 1.00 0.00 O ATOM 362 CB LEU A 25 0.440 8.259 0.960 1.00 0.00 C ATOM 363 CG LEU A 25 -0.904 7.628 0.583 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.754 8.652 -0.173 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.666 6.408 -0.312 1.00 0.00 C ATOM 0 H LEU A 25 0.043 7.087 3.108 1.00 0.00 H new ATOM 0 HA LEU A 25 1.649 6.480 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.256 9.070 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.875 8.706 0.066 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.424 7.318 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.710 8.204 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.926 9.521 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.231 8.961 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.623 5.960 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.145 6.717 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.060 5.677 0.223 1.00 0.00 H new ATOM 377 N ASN A 26 2.773 8.911 2.836 1.00 0.00 N ATOM 378 CA ASN A 26 3.967 9.685 3.165 1.00 0.00 C ATOM 379 C ASN A 26 5.106 8.752 3.558 1.00 0.00 C ATOM 380 O ASN A 26 6.275 9.018 3.275 1.00 0.00 O ATOM 381 CB ASN A 26 3.684 10.645 4.323 1.00 0.00 C ATOM 382 CG ASN A 26 2.806 11.791 3.832 1.00 0.00 C ATOM 383 OD1 ASN A 26 2.035 11.629 2.886 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.878 12.952 4.424 1.00 0.00 N ATOM 0 H ASN A 26 1.972 9.081 3.444 1.00 0.00 H new ATOM 0 HA ASN A 26 4.252 10.260 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.187 10.115 5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.620 11.035 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.295 13.725 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.517 13.086 5.208 1.00 0.00 H new ATOM 391 N LYS A 27 4.749 7.647 4.206 1.00 0.00 N ATOM 392 CA LYS A 27 5.744 6.665 4.630 1.00 0.00 C ATOM 393 C LYS A 27 6.465 6.084 3.416 1.00 0.00 C ATOM 394 O LYS A 27 7.632 5.698 3.497 1.00 0.00 O ATOM 395 CB LYS A 27 5.077 5.527 5.406 1.00 0.00 C ATOM 396 CG LYS A 27 5.047 5.871 6.895 1.00 0.00 C ATOM 397 CD LYS A 27 4.464 4.695 7.680 1.00 0.00 C ATOM 398 CE LYS A 27 3.824 5.210 8.970 1.00 0.00 C ATOM 399 NZ LYS A 27 3.852 4.175 10.042 1.00 0.00 N ATOM 0 H LYS A 27 3.787 7.409 4.448 1.00 0.00 H new ATOM 0 HA LYS A 27 6.463 7.169 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.063 5.368 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.623 4.597 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.054 6.094 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.446 6.765 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.721 4.173 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.248 3.975 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.352 6.101 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.793 5.505 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.411 4.555 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.327 3.334 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.838 3.912 10.245 1.00 0.00 H new ATOM 413 N VAL A 28 5.758 6.029 2.289 1.00 0.00 N ATOM 414 CA VAL A 28 6.339 5.497 1.059 1.00 0.00 C ATOM 415 C VAL A 28 7.546 6.332 0.639 1.00 0.00 C ATOM 416 O VAL A 28 8.570 5.798 0.215 1.00 0.00 O ATOM 417 CB VAL A 28 5.300 5.508 -0.067 1.00 0.00 C ATOM 418 CG1 VAL A 28 5.872 4.815 -1.306 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.044 4.764 0.394 1.00 0.00 C ATOM 0 H VAL A 28 4.791 6.343 2.202 1.00 0.00 H new ATOM 0 HA VAL A 28 6.657 4.472 1.247 1.00 0.00 H new ATOM 0 HB VAL A 28 5.048 6.539 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.130 4.825 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.767 5.341 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.127 3.784 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.303 4.771 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.301 3.734 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.632 5.257 1.275 1.00 0.00 H new ATOM 429 N ARG A 29 7.413 7.651 0.768 1.00 0.00 N ATOM 430 CA ARG A 29 8.499 8.560 0.403 1.00 0.00 C ATOM 431 C ARG A 29 9.763 8.232 1.195 1.00 0.00 C ATOM 432 O ARG A 29 10.881 8.415 0.712 1.00 0.00 O ATOM 433 CB ARG A 29 8.099 10.012 0.680 1.00 0.00 C ATOM 434 CG ARG A 29 6.848 10.364 -0.127 1.00 0.00 C ATOM 435 CD ARG A 29 7.170 10.317 -1.622 1.00 0.00 C ATOM 436 NE ARG A 29 6.408 11.330 -2.346 1.00 0.00 N ATOM 437 CZ ARG A 29 5.965 11.104 -3.580 1.00 0.00 C ATOM 438 NH1 ARG A 29 6.813 10.972 -4.563 1.00 0.00 N ATOM 439 NH2 ARG A 29 4.684 11.014 -3.807 1.00 0.00 N ATOM 0 H ARG A 29 6.573 8.111 1.119 1.00 0.00 H new ATOM 0 HA ARG A 29 8.697 8.434 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.908 10.150 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.916 10.682 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.045 9.664 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.494 11.358 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.237 10.479 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.938 9.328 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 29 6.212 12.225 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.815 11.042 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.474 10.799 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.021 11.117 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.345 10.841 -4.753 1.00 0.00 H new ATOM 453 N ASN A 30 9.572 7.741 2.417 1.00 0.00 N ATOM 454 CA ASN A 30 10.702 7.384 3.271 1.00 0.00 C ATOM 455 C ASN A 30 11.096 5.928 3.046 1.00 0.00 C ATOM 456 O ASN A 30 10.242 5.047 2.938 1.00 0.00 O ATOM 457 CB ASN A 30 10.343 7.582 4.745 1.00 0.00 C ATOM 458 CG ASN A 30 10.672 9.012 5.161 1.00 0.00 C ATOM 459 OD1 ASN A 30 11.279 9.236 6.208 1.00 0.00 O ATOM 460 ND2 ASN A 30 10.303 10.003 4.396 1.00 0.00 N ATOM 0 H ASN A 30 8.655 7.582 2.835 1.00 0.00 H new ATOM 0 HA ASN A 30 11.539 8.033 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.283 7.381 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.897 6.876 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.518 10.963 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.800 9.818 3.528 1.00 0.00 H new ATOM 467 N ARG A 31 12.401 5.685 2.973 1.00 0.00 N ATOM 468 CA ARG A 31 12.904 4.332 2.758 1.00 0.00 C ATOM 469 C ARG A 31 12.805 3.512 4.042 1.00 0.00 C ATOM 470 O ARG A 31 13.781 3.365 4.779 1.00 0.00 O ATOM 471 CB ARG A 31 14.364 4.371 2.300 1.00 0.00 C ATOM 472 CG ARG A 31 14.426 4.766 0.824 1.00 0.00 C ATOM 473 CD ARG A 31 14.603 6.280 0.706 1.00 0.00 C ATOM 474 NE ARG A 31 15.899 6.691 1.238 1.00 0.00 N ATOM 475 CZ ARG A 31 15.987 7.365 2.382 1.00 0.00 C ATOM 476 NH1 ARG A 31 15.132 8.314 2.648 1.00 0.00 N ATOM 477 NH2 ARG A 31 16.929 7.077 3.238 1.00 0.00 N ATOM 0 H ARG A 31 13.124 6.400 3.059 1.00 0.00 H new ATOM 0 HA ARG A 31 12.293 3.866 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.926 5.085 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.828 3.396 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.254 4.254 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.513 4.456 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.521 6.580 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.805 6.788 1.247 1.00 0.00 H new ATOM 0 HE ARG A 31 16.749 6.458 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.396 8.539 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.200 8.830 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.598 6.335 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.997 7.594 4.115 1.00 0.00 H new ATOM 491 N GLU A 32 11.614 2.978 4.300 1.00 0.00 N ATOM 492 CA GLU A 32 11.399 2.171 5.499 1.00 0.00 C ATOM 493 C GLU A 32 10.856 0.789 5.121 1.00 0.00 C ATOM 494 O GLU A 32 11.605 -0.185 5.060 1.00 0.00 O ATOM 495 CB GLU A 32 10.421 2.868 6.450 1.00 0.00 C ATOM 496 CG GLU A 32 11.137 4.011 7.172 1.00 0.00 C ATOM 497 CD GLU A 32 11.703 3.503 8.493 1.00 0.00 C ATOM 498 OE1 GLU A 32 12.808 2.987 8.483 1.00 0.00 O ATOM 499 OE2 GLU A 32 11.022 3.637 9.497 1.00 0.00 O ATOM 0 H GLU A 32 10.793 3.087 3.705 1.00 0.00 H new ATOM 0 HA GLU A 32 12.357 2.052 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.568 3.254 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.031 2.154 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.939 4.404 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.443 4.832 7.353 1.00 0.00 H new ATOM 506 N GLU A 33 9.547 0.713 4.863 1.00 0.00 N ATOM 507 CA GLU A 33 8.921 -0.556 4.488 1.00 0.00 C ATOM 508 C GLU A 33 7.413 -0.379 4.326 1.00 0.00 C ATOM 509 O GLU A 33 6.892 -0.467 3.219 1.00 0.00 O ATOM 510 CB GLU A 33 9.190 -1.634 5.551 1.00 0.00 C ATOM 511 CG GLU A 33 9.509 -2.966 4.868 1.00 0.00 C ATOM 512 CD GLU A 33 8.266 -3.483 4.151 1.00 0.00 C ATOM 513 OE1 GLU A 33 7.848 -2.845 3.199 1.00 0.00 O ATOM 514 OE2 GLU A 33 7.750 -4.507 4.566 1.00 0.00 O ATOM 0 H GLU A 33 8.907 1.506 4.906 1.00 0.00 H new ATOM 0 HA GLU A 33 9.355 -0.874 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.023 -1.332 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.320 -1.745 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.324 -2.835 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.845 -3.694 5.607 1.00 0.00 H new ATOM 521 N VAL A 34 6.743 -0.131 5.461 1.00 0.00 N ATOM 522 CA VAL A 34 5.283 0.068 5.520 1.00 0.00 C ATOM 523 C VAL A 34 4.505 -1.070 4.848 1.00 0.00 C ATOM 524 O VAL A 34 4.830 -1.528 3.756 1.00 0.00 O ATOM 525 CB VAL A 34 4.866 1.432 4.929 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.051 1.472 3.408 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.394 1.691 5.261 1.00 0.00 C ATOM 0 H VAL A 34 7.199 -0.062 6.371 1.00 0.00 H new ATOM 0 HA VAL A 34 5.022 0.060 6.578 1.00 0.00 H new ATOM 0 HB VAL A 34 5.503 2.200 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.747 2.448 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.099 1.299 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.439 0.697 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.091 2.653 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.779 0.901 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.262 1.704 6.343 1.00 0.00 H new ATOM 537 N ASP A 35 3.458 -1.524 5.533 1.00 0.00 N ATOM 538 CA ASP A 35 2.628 -2.605 5.009 1.00 0.00 C ATOM 539 C ASP A 35 1.200 -2.481 5.534 1.00 0.00 C ATOM 540 O ASP A 35 0.817 -3.140 6.500 1.00 0.00 O ATOM 541 CB ASP A 35 3.196 -3.966 5.421 1.00 0.00 C ATOM 542 CG ASP A 35 4.395 -4.305 4.542 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.372 -3.948 3.376 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.320 -4.919 5.049 1.00 0.00 O ATOM 0 H ASP A 35 3.167 -1.165 6.442 1.00 0.00 H new ATOM 0 HA ASP A 35 2.624 -2.530 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.495 -3.945 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.431 -4.736 5.323 1.00 0.00 H new ATOM 549 N ASP A 36 0.418 -1.623 4.884 1.00 0.00 N ATOM 550 CA ASP A 36 -0.969 -1.416 5.291 1.00 0.00 C ATOM 551 C ASP A 36 -1.926 -1.999 4.247 1.00 0.00 C ATOM 552 O ASP A 36 -1.564 -2.142 3.079 1.00 0.00 O ATOM 553 CB ASP A 36 -1.262 0.077 5.456 1.00 0.00 C ATOM 554 CG ASP A 36 -0.775 0.543 6.822 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.396 0.869 6.933 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.578 0.567 7.740 1.00 0.00 O ATOM 0 H ASP A 36 0.716 -1.066 4.083 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.118 -1.923 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.767 0.645 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.332 0.262 5.357 1.00 0.00 H new ATOM 561 N PRO A 37 -3.157 -2.341 4.653 1.00 0.00 N ATOM 562 CA PRO A 37 -4.154 -2.908 3.733 1.00 0.00 C ATOM 563 C PRO A 37 -4.686 -1.877 2.741 1.00 0.00 C ATOM 564 O PRO A 37 -4.632 -2.078 1.528 1.00 0.00 O ATOM 565 CB PRO A 37 -5.268 -3.403 4.655 1.00 0.00 C ATOM 566 CG PRO A 37 -5.142 -2.587 5.895 1.00 0.00 C ATOM 567 CD PRO A 37 -3.692 -2.211 6.021 1.00 0.00 C ATOM 0 HA PRO A 37 -3.727 -3.697 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.247 -3.271 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.158 -4.466 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.769 -1.697 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.472 -3.153 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.577 -1.195 6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.170 -2.869 6.716 1.00 0.00 H new ATOM 575 N LYS A 38 -5.195 -0.763 3.269 1.00 0.00 N ATOM 576 CA LYS A 38 -5.731 0.304 2.422 1.00 0.00 C ATOM 577 C LYS A 38 -4.686 0.772 1.409 1.00 0.00 C ATOM 578 O LYS A 38 -5.022 1.207 0.307 1.00 0.00 O ATOM 579 CB LYS A 38 -6.162 1.498 3.278 1.00 0.00 C ATOM 580 CG LYS A 38 -7.270 1.062 4.239 1.00 0.00 C ATOM 581 CD LYS A 38 -7.705 2.256 5.092 1.00 0.00 C ATOM 582 CE LYS A 38 -8.439 1.754 6.336 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.507 1.584 7.487 1.00 0.00 N ATOM 0 H LYS A 38 -5.248 -0.576 4.270 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.593 -0.097 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.310 1.884 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.517 2.308 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.120 0.673 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.914 0.255 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.835 2.845 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.355 2.912 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.226 2.458 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.924 0.803 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.036 1.243 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.770 0.893 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.063 2.497 7.712 1.00 0.00 H new ATOM 597 N LEU A 39 -3.416 0.674 1.795 1.00 0.00 N ATOM 598 CA LEU A 39 -2.328 1.088 0.914 1.00 0.00 C ATOM 599 C LEU A 39 -2.265 0.178 -0.311 1.00 0.00 C ATOM 600 O LEU A 39 -2.304 0.640 -1.451 1.00 0.00 O ATOM 601 CB LEU A 39 -0.986 1.036 1.658 1.00 0.00 C ATOM 602 CG LEU A 39 -0.106 2.283 1.520 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.258 2.016 2.160 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.086 2.613 0.036 1.00 0.00 C ATOM 0 H LEU A 39 -3.117 0.316 2.702 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.519 2.112 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.184 0.868 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.424 0.174 1.298 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.587 3.123 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.885 2.902 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.125 1.780 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.737 1.175 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.712 3.500 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.567 1.773 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.884 2.801 -0.423 1.00 0.00 H new ATOM 616 N LYS A 40 -2.166 -1.125 -0.058 1.00 0.00 N ATOM 617 CA LYS A 40 -2.099 -2.098 -1.144 1.00 0.00 C ATOM 618 C LYS A 40 -3.383 -2.064 -1.967 1.00 0.00 C ATOM 619 O LYS A 40 -3.355 -2.176 -3.192 1.00 0.00 O ATOM 620 CB LYS A 40 -1.901 -3.509 -0.587 1.00 0.00 C ATOM 621 CG LYS A 40 -0.626 -3.550 0.257 1.00 0.00 C ATOM 622 CD LYS A 40 -0.038 -4.962 0.227 1.00 0.00 C ATOM 623 CE LYS A 40 -0.552 -5.756 1.430 1.00 0.00 C ATOM 624 NZ LYS A 40 0.355 -5.613 2.605 1.00 0.00 N ATOM 0 H LYS A 40 -2.131 -1.528 0.879 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.252 -1.837 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.760 -3.796 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.832 -4.228 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.100 -2.834 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.848 -3.259 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.317 -5.464 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.051 -4.914 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.551 -5.411 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.640 -6.809 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.022 -6.163 3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.302 -5.965 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.418 -4.611 2.875 1.00 0.00 H new ATOM 638 N GLU A 41 -4.508 -1.902 -1.277 1.00 0.00 N ATOM 639 CA GLU A 41 -5.802 -1.848 -1.952 1.00 0.00 C ATOM 640 C GLU A 41 -5.859 -0.647 -2.889 1.00 0.00 C ATOM 641 O GLU A 41 -6.137 -0.781 -4.080 1.00 0.00 O ATOM 642 CB GLU A 41 -6.935 -1.739 -0.930 1.00 0.00 C ATOM 643 CG GLU A 41 -7.013 -3.029 -0.112 1.00 0.00 C ATOM 644 CD GLU A 41 -7.996 -3.990 -0.771 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.812 -4.286 -1.940 1.00 0.00 O ATOM 646 OE2 GLU A 41 -8.919 -4.417 -0.096 1.00 0.00 O ATOM 0 H GLU A 41 -4.551 -1.807 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.923 -2.766 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.763 -0.888 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.882 -1.561 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.027 -3.490 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.332 -2.808 0.907 1.00 0.00 H new ATOM 653 N HIS A 42 -5.585 0.535 -2.332 1.00 0.00 N ATOM 654 CA HIS A 42 -5.602 1.773 -3.118 1.00 0.00 C ATOM 655 C HIS A 42 -4.727 1.647 -4.364 1.00 0.00 C ATOM 656 O HIS A 42 -5.101 2.088 -5.450 1.00 0.00 O ATOM 657 CB HIS A 42 -5.091 2.945 -2.275 1.00 0.00 C ATOM 658 CG HIS A 42 -5.678 4.228 -2.793 1.00 0.00 C ATOM 659 ND1 HIS A 42 -5.068 5.456 -2.588 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.817 4.491 -3.514 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.837 6.393 -3.171 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.916 5.859 -3.751 1.00 0.00 N ATOM 0 H HIS A 42 -5.350 0.662 -1.348 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.633 1.954 -3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.366 2.802 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.003 2.988 -2.315 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.195 5.619 -2.086 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.528 3.749 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.610 7.449 -3.170 1.00 0.00 H new ATOM 670 N ALA A 43 -3.555 1.036 -4.192 1.00 0.00 N ATOM 671 CA ALA A 43 -2.618 0.851 -5.303 1.00 0.00 C ATOM 672 C ALA A 43 -3.295 0.162 -6.489 1.00 0.00 C ATOM 673 O ALA A 43 -3.135 0.576 -7.638 1.00 0.00 O ATOM 674 CB ALA A 43 -1.422 0.007 -4.854 1.00 0.00 C ATOM 0 H ALA A 43 -3.232 0.662 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.278 1.839 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.734 -0.122 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.908 0.511 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.771 -0.969 -4.517 1.00 0.00 H new ATOM 680 N PHE A 44 -4.054 -0.894 -6.198 1.00 0.00 N ATOM 681 CA PHE A 44 -4.756 -1.638 -7.247 1.00 0.00 C ATOM 682 C PHE A 44 -5.663 -0.710 -8.053 1.00 0.00 C ATOM 683 O PHE A 44 -5.798 -0.852 -9.269 1.00 0.00 O ATOM 684 CB PHE A 44 -5.599 -2.763 -6.631 1.00 0.00 C ATOM 685 CG PHE A 44 -6.206 -3.618 -7.726 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.402 -4.125 -8.755 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.577 -3.901 -7.708 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.967 -4.914 -9.764 1.00 0.00 C ATOM 689 CE2 PHE A 44 -8.143 -4.690 -8.717 1.00 0.00 C ATOM 690 CZ PHE A 44 -7.338 -5.196 -9.745 1.00 0.00 C ATOM 0 H PHE A 44 -4.199 -1.252 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.007 -2.069 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.978 -3.379 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.388 -2.339 -6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.344 -3.907 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.198 -3.511 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.346 -5.305 -10.556 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.201 -4.908 -8.702 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.775 -5.804 -10.523 1.00 0.00 H new ATOM 700 N CYS A 45 -6.281 0.241 -7.361 1.00 0.00 N ATOM 701 CA CYS A 45 -7.173 1.192 -8.018 1.00 0.00 C ATOM 702 C CYS A 45 -6.401 2.101 -8.978 1.00 0.00 C ATOM 703 O CYS A 45 -6.984 2.696 -9.883 1.00 0.00 O ATOM 704 CB CYS A 45 -7.887 2.057 -6.979 1.00 0.00 C ATOM 705 SG CYS A 45 -9.315 1.159 -6.328 1.00 0.00 S ATOM 0 H CYS A 45 -6.183 0.374 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.905 0.618 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.203 2.311 -6.169 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.209 2.996 -7.430 1.00 0.00 H new ATOM 710 N ILE A 46 -5.089 2.213 -8.770 1.00 0.00 N ATOM 711 CA ILE A 46 -4.268 3.067 -9.629 1.00 0.00 C ATOM 712 C ILE A 46 -3.731 2.278 -10.820 1.00 0.00 C ATOM 713 O ILE A 46 -3.756 2.752 -11.956 1.00 0.00 O ATOM 714 CB ILE A 46 -3.083 3.662 -8.850 1.00 0.00 C ATOM 715 CG1 ILE A 46 -3.530 4.127 -7.452 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.518 4.855 -9.622 1.00 0.00 C ATOM 717 CD1 ILE A 46 -4.679 5.136 -7.568 1.00 0.00 C ATOM 0 H ILE A 46 -4.579 1.733 -8.028 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.905 3.877 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.319 2.893 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.849 3.269 -6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.690 4.581 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.678 5.279 -9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.180 4.525 -10.604 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.293 5.612 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.984 5.456 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.347 6.002 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.524 4.669 -8.074 1.00 0.00 H new ATOM 729 N LEU A 47 -3.241 1.068 -10.553 1.00 0.00 N ATOM 730 CA LEU A 47 -2.697 0.224 -11.617 1.00 0.00 C ATOM 731 C LEU A 47 -3.768 -0.065 -12.672 1.00 0.00 C ATOM 732 O LEU A 47 -3.540 0.099 -13.871 1.00 0.00 O ATOM 733 CB LEU A 47 -2.175 -1.102 -11.038 1.00 0.00 C ATOM 734 CG LEU A 47 -0.672 -1.354 -11.200 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.349 -2.791 -10.786 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.265 -1.147 -12.662 1.00 0.00 C ATOM 0 H LEU A 47 -3.209 0.654 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.871 0.759 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.417 -1.133 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.715 -1.921 -11.512 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.122 -0.656 -10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.720 -2.971 -10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.633 -2.942 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.904 -3.485 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.804 -1.327 -12.771 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.817 -1.842 -13.295 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.493 -0.124 -12.962 1.00 0.00 H new ATOM 748 N LYS A 48 -4.935 -0.503 -12.206 1.00 0.00 N ATOM 749 CA LYS A 48 -6.039 -0.821 -13.111 1.00 0.00 C ATOM 750 C LYS A 48 -6.528 0.434 -13.831 1.00 0.00 C ATOM 751 O LYS A 48 -6.735 0.428 -15.044 1.00 0.00 O ATOM 752 CB LYS A 48 -7.205 -1.436 -12.331 1.00 0.00 C ATOM 753 CG LYS A 48 -8.138 -2.182 -13.293 1.00 0.00 C ATOM 754 CD LYS A 48 -9.596 -1.936 -12.895 1.00 0.00 C ATOM 755 CE LYS A 48 -9.934 -0.455 -13.080 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.400 -0.250 -13.257 1.00 0.00 N ATOM 0 H LYS A 48 -5.141 -0.645 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.673 -1.536 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.826 -2.121 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.756 -0.655 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.968 -1.843 -14.315 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.920 -3.250 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.259 -2.550 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.755 -2.229 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.588 0.110 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.403 -0.065 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.596 0.764 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.724 -0.770 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.903 -0.601 -12.417 1.00 0.00 H new ATOM 770 N ARG A 49 -6.714 1.508 -13.068 1.00 0.00 N ATOM 771 CA ARG A 49 -7.187 2.766 -13.642 1.00 0.00 C ATOM 772 C ARG A 49 -6.155 3.341 -14.609 1.00 0.00 C ATOM 773 O ARG A 49 -6.500 3.878 -15.661 1.00 0.00 O ATOM 774 CB ARG A 49 -7.456 3.790 -12.538 1.00 0.00 C ATOM 775 CG ARG A 49 -8.768 3.445 -11.831 1.00 0.00 C ATOM 776 CD ARG A 49 -9.932 4.125 -12.552 1.00 0.00 C ATOM 777 NE ARG A 49 -11.157 3.344 -12.402 1.00 0.00 N ATOM 778 CZ ARG A 49 -12.308 3.771 -12.915 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.415 3.972 -14.200 1.00 0.00 N ATOM 780 NH2 ARG A 49 -13.331 3.988 -12.134 1.00 0.00 N ATOM 0 H ARG A 49 -6.547 1.534 -12.062 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.111 2.558 -14.182 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.634 3.793 -11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.512 4.792 -12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.914 2.365 -11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.730 3.772 -10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.081 5.127 -12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.695 4.239 -13.610 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.130 2.458 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.616 3.802 -14.811 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.297 4.299 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.248 3.830 -11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.213 4.315 -12.528 1.00 0.00 H new ATOM 794 N ALA A 50 -4.883 3.225 -14.237 1.00 0.00 N ATOM 795 CA ALA A 50 -3.800 3.740 -15.075 1.00 0.00 C ATOM 796 C ALA A 50 -3.812 3.076 -16.450 1.00 0.00 C ATOM 797 O ALA A 50 -3.392 3.670 -17.443 1.00 0.00 O ATOM 798 CB ALA A 50 -2.446 3.485 -14.411 1.00 0.00 C ATOM 0 H ALA A 50 -4.577 2.784 -13.370 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.954 4.812 -15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.650 3.874 -15.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.415 3.986 -13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.306 2.413 -14.269 1.00 0.00 H new ATOM 804 N GLY A 51 -4.294 1.837 -16.497 1.00 0.00 N ATOM 805 CA GLY A 51 -4.353 1.101 -17.755 1.00 0.00 C ATOM 806 C GLY A 51 -3.131 0.204 -17.914 1.00 0.00 C ATOM 807 O GLY A 51 -2.663 -0.046 -19.025 1.00 0.00 O ATOM 0 H GLY A 51 -4.646 1.326 -15.687 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.260 0.497 -17.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.407 1.801 -18.589 1.00 0.00 H new ATOM 811 N PHE A 52 -2.620 -0.282 -16.785 1.00 0.00 N ATOM 812 CA PHE A 52 -1.451 -1.157 -16.798 1.00 0.00 C ATOM 813 C PHE A 52 -1.866 -2.597 -16.525 1.00 0.00 C ATOM 814 O PHE A 52 -1.273 -3.541 -17.048 1.00 0.00 O ATOM 815 CB PHE A 52 -0.445 -0.717 -15.732 1.00 0.00 C ATOM 816 CG PHE A 52 0.519 0.283 -16.327 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.257 -0.050 -17.468 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.672 1.543 -15.737 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.149 0.877 -18.020 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.564 2.470 -16.287 1.00 0.00 C ATOM 821 CZ PHE A 52 2.302 2.137 -17.429 1.00 0.00 C ATOM 0 H PHE A 52 -2.994 -0.087 -15.856 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.988 -1.092 -17.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.968 -0.273 -14.885 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.100 -1.582 -15.353 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.139 -1.022 -17.923 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.101 1.800 -14.857 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.719 0.620 -18.901 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.683 3.442 -15.831 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.990 2.853 -17.855 1.00 0.00 H new ATOM 831 N ILE A 53 -2.894 -2.752 -15.697 1.00 0.00 N ATOM 832 CA ILE A 53 -3.389 -4.080 -15.352 1.00 0.00 C ATOM 833 C ILE A 53 -4.901 -4.152 -15.593 1.00 0.00 C ATOM 834 O ILE A 53 -5.622 -3.182 -15.360 1.00 0.00 O ATOM 835 CB ILE A 53 -3.051 -4.397 -13.882 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.283 -5.883 -13.607 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.913 -3.559 -12.927 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.591 -6.267 -12.295 1.00 0.00 C ATOM 0 H ILE A 53 -3.397 -1.982 -15.256 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.905 -4.824 -15.985 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.003 -4.149 -13.711 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.351 -6.091 -13.543 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.890 -6.483 -14.428 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.655 -3.802 -11.896 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.731 -2.500 -13.107 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.966 -3.780 -13.099 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.754 -7.326 -12.094 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.522 -6.073 -12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.005 -5.675 -11.479 1.00 0.00 H new ATOM 850 N ASP A 54 -5.371 -5.300 -16.071 1.00 0.00 N ATOM 851 CA ASP A 54 -6.797 -5.461 -16.342 1.00 0.00 C ATOM 852 C ASP A 54 -7.522 -6.040 -15.132 1.00 0.00 C ATOM 853 O ASP A 54 -6.904 -6.448 -14.149 1.00 0.00 O ATOM 854 CB ASP A 54 -7.024 -6.376 -17.550 1.00 0.00 C ATOM 855 CG ASP A 54 -6.283 -7.697 -17.360 1.00 0.00 C ATOM 856 OD1 ASP A 54 -6.017 -8.056 -16.224 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.993 -8.335 -18.359 1.00 0.00 O ATOM 0 H ASP A 54 -4.799 -6.119 -16.276 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.200 -4.472 -16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.090 -6.564 -17.677 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.677 -5.884 -18.458 1.00 0.00 H new ATOM 862 N ALA A 55 -8.851 -6.069 -15.225 1.00 0.00 N ATOM 863 CA ALA A 55 -9.690 -6.590 -14.143 1.00 0.00 C ATOM 864 C ALA A 55 -9.273 -8.004 -13.720 1.00 0.00 C ATOM 865 O ALA A 55 -9.602 -8.448 -12.620 1.00 0.00 O ATOM 866 CB ALA A 55 -11.156 -6.622 -14.582 1.00 0.00 C ATOM 0 H ALA A 55 -9.371 -5.738 -16.038 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.561 -5.923 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.771 -7.011 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.483 -5.613 -14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.260 -7.265 -15.456 1.00 0.00 H new ATOM 872 N SER A 56 -8.564 -8.713 -14.597 1.00 0.00 N ATOM 873 CA SER A 56 -8.137 -10.077 -14.283 1.00 0.00 C ATOM 874 C SER A 56 -6.788 -10.075 -13.567 1.00 0.00 C ATOM 875 O SER A 56 -6.490 -10.974 -12.781 1.00 0.00 O ATOM 876 CB SER A 56 -8.022 -10.907 -15.559 1.00 0.00 C ATOM 877 OG SER A 56 -7.754 -12.261 -15.216 1.00 0.00 O ATOM 0 H SER A 56 -8.277 -8.374 -15.515 1.00 0.00 H new ATOM 0 HA SER A 56 -8.889 -10.516 -13.627 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.946 -10.841 -16.134 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.225 -10.515 -16.191 1.00 0.00 H new ATOM 0 HG SER A 56 -7.681 -12.797 -16.033 1.00 0.00 H new ATOM 883 N GLY A 57 -5.979 -9.053 -13.835 1.00 0.00 N ATOM 884 CA GLY A 57 -4.675 -8.949 -13.195 1.00 0.00 C ATOM 885 C GLY A 57 -3.547 -9.289 -14.164 1.00 0.00 C ATOM 886 O GLY A 57 -2.604 -9.997 -13.812 1.00 0.00 O ATOM 0 H GLY A 57 -6.201 -8.296 -14.482 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.536 -7.938 -12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.635 -9.621 -12.338 1.00 0.00 H new ATOM 890 N GLU A 58 -3.644 -8.770 -15.383 1.00 0.00 N ATOM 891 CA GLU A 58 -2.611 -9.021 -16.385 1.00 0.00 C ATOM 892 C GLU A 58 -1.442 -8.068 -16.174 1.00 0.00 C ATOM 893 O GLU A 58 -1.455 -6.931 -16.643 1.00 0.00 O ATOM 894 CB GLU A 58 -3.164 -8.827 -17.798 1.00 0.00 C ATOM 895 CG GLU A 58 -3.898 -10.095 -18.237 1.00 0.00 C ATOM 896 CD GLU A 58 -2.899 -11.238 -18.383 1.00 0.00 C ATOM 897 OE1 GLU A 58 -2.344 -11.379 -19.460 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.704 -11.956 -17.416 1.00 0.00 O ATOM 0 H GLU A 58 -4.414 -8.181 -15.700 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.275 -10.052 -16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.843 -7.975 -17.820 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.352 -8.606 -18.491 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.662 -10.357 -17.505 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.410 -9.922 -19.184 1.00 0.00 H new ATOM 905 N PHE A 59 -0.437 -8.541 -15.441 1.00 0.00 N ATOM 906 CA PHE A 59 0.738 -7.710 -15.153 1.00 0.00 C ATOM 907 C PHE A 59 1.531 -7.405 -16.422 1.00 0.00 C ATOM 908 O PHE A 59 2.580 -7.996 -16.685 1.00 0.00 O ATOM 909 CB PHE A 59 1.686 -8.354 -14.127 1.00 0.00 C ATOM 910 CG PHE A 59 1.748 -9.871 -14.259 1.00 0.00 C ATOM 911 CD1 PHE A 59 1.681 -10.495 -15.516 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.882 -10.652 -13.105 1.00 0.00 C ATOM 913 CE1 PHE A 59 1.746 -11.890 -15.611 1.00 0.00 C ATOM 914 CE2 PHE A 59 1.945 -12.048 -13.202 1.00 0.00 C ATOM 915 CZ PHE A 59 1.877 -12.666 -14.455 1.00 0.00 C ATOM 0 H PHE A 59 -0.408 -9.478 -15.040 1.00 0.00 H new ATOM 0 HA PHE A 59 0.344 -6.786 -14.729 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.687 -7.941 -14.253 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.358 -8.094 -13.121 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.579 -9.898 -16.410 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.937 -10.177 -12.137 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.695 -12.368 -16.578 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.046 -12.647 -12.309 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.926 -13.742 -14.530 1.00 0.00 H new ATOM 925 N GLN A 60 1.030 -6.451 -17.188 1.00 0.00 N ATOM 926 CA GLN A 60 1.698 -6.044 -18.420 1.00 0.00 C ATOM 927 C GLN A 60 2.939 -5.223 -18.087 1.00 0.00 C ATOM 928 O GLN A 60 2.911 -3.994 -18.100 1.00 0.00 O ATOM 929 CB GLN A 60 0.757 -5.206 -19.289 1.00 0.00 C ATOM 930 CG GLN A 60 -0.019 -6.126 -20.234 1.00 0.00 C ATOM 931 CD GLN A 60 -1.416 -5.561 -20.461 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.969 -4.885 -19.595 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.028 -5.802 -21.590 1.00 0.00 N ATOM 0 H GLN A 60 0.169 -5.944 -16.984 1.00 0.00 H new ATOM 0 HA GLN A 60 1.985 -6.940 -18.970 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.065 -4.646 -18.660 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.328 -4.476 -19.863 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.507 -6.216 -21.184 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.085 -7.128 -19.810 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.570 -6.362 -22.309 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.964 -5.430 -21.753 1.00 0.00 H new ATOM 942 N LEU A 61 4.028 -5.921 -17.778 1.00 0.00 N ATOM 943 CA LEU A 61 5.277 -5.251 -17.428 1.00 0.00 C ATOM 944 C LEU A 61 5.952 -4.678 -18.667 1.00 0.00 C ATOM 945 O LEU A 61 6.631 -3.655 -18.601 1.00 0.00 O ATOM 946 CB LEU A 61 6.233 -6.229 -16.743 1.00 0.00 C ATOM 947 CG LEU A 61 5.704 -6.875 -15.459 1.00 0.00 C ATOM 948 CD1 LEU A 61 6.817 -7.696 -14.805 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.240 -5.785 -14.490 1.00 0.00 C ATOM 0 H LEU A 61 4.072 -6.940 -17.763 1.00 0.00 H new ATOM 0 HA LEU A 61 5.037 -4.436 -16.745 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.485 -7.019 -17.450 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.159 -5.703 -16.510 1.00 0.00 H new ATOM 0 HG LEU A 61 4.864 -7.527 -15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.441 -8.156 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.148 -8.474 -15.493 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.657 -7.044 -14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.864 -6.246 -13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.079 -5.132 -14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.447 -5.199 -14.954 1.00 0.00 H new ATOM 961 N ASP A 62 5.758 -5.347 -19.800 1.00 0.00 N ATOM 962 CA ASP A 62 6.356 -4.889 -21.052 1.00 0.00 C ATOM 963 C ASP A 62 5.836 -3.500 -21.412 1.00 0.00 C ATOM 964 O ASP A 62 6.548 -2.692 -22.007 1.00 0.00 O ATOM 965 CB ASP A 62 6.025 -5.856 -22.191 1.00 0.00 C ATOM 966 CG ASP A 62 6.619 -7.227 -21.883 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.732 -7.271 -21.388 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.951 -8.212 -22.147 1.00 0.00 O ATOM 0 H ASP A 62 5.199 -6.197 -19.878 1.00 0.00 H new ATOM 0 HA ASP A 62 7.437 -4.850 -20.914 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.945 -5.935 -22.313 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.425 -5.477 -23.132 1.00 0.00 H new ATOM 973 N HIS A 63 4.588 -3.231 -21.038 1.00 0.00 N ATOM 974 CA HIS A 63 3.982 -1.933 -21.322 1.00 0.00 C ATOM 975 C HIS A 63 4.496 -0.884 -20.342 1.00 0.00 C ATOM 976 O HIS A 63 4.650 0.288 -20.687 1.00 0.00 O ATOM 977 CB HIS A 63 2.459 -2.016 -21.210 1.00 0.00 C ATOM 978 CG HIS A 63 1.910 -2.784 -22.382 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.782 -2.372 -23.072 1.00 0.00 N ATOM 980 CD2 HIS A 63 2.323 -3.941 -22.994 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.557 -3.266 -24.052 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.467 -4.244 -24.049 1.00 0.00 N ATOM 0 H HIS A 63 3.982 -3.886 -20.543 1.00 0.00 H new ATOM 0 HA HIS A 63 4.254 -1.648 -22.338 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.179 -2.506 -20.277 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.030 -1.014 -21.185 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.182 -4.527 -22.701 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.260 -3.201 -24.755 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.523 -5.041 -24.683 1.00 0.00 H new ATOM 990 N ILE A 64 4.757 -1.321 -19.112 1.00 0.00 N ATOM 991 CA ILE A 64 5.254 -0.415 -18.080 1.00 0.00 C ATOM 992 C ILE A 64 6.670 0.049 -18.414 1.00 0.00 C ATOM 993 O ILE A 64 6.929 1.244 -18.553 1.00 0.00 O ATOM 994 CB ILE A 64 5.251 -1.112 -16.713 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.832 -1.600 -16.399 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.698 -0.134 -15.623 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.883 -2.734 -15.367 1.00 0.00 C ATOM 0 H ILE A 64 4.634 -2.287 -18.808 1.00 0.00 H new ATOM 0 HA ILE A 64 4.595 0.453 -18.041 1.00 0.00 H new ATOM 0 HB ILE A 64 5.940 -1.956 -16.741 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.232 -0.775 -16.016 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.348 -1.949 -17.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.692 -0.639 -14.657 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.706 0.219 -15.842 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.015 0.715 -15.593 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.870 -3.074 -15.150 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.467 -3.563 -15.766 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.348 -2.371 -14.450 1.00 0.00 H new ATOM 1009 N LYS A 65 7.588 -0.911 -18.535 1.00 0.00 N ATOM 1010 CA LYS A 65 8.986 -0.592 -18.844 1.00 0.00 C ATOM 1011 C LYS A 65 9.094 0.312 -20.076 1.00 0.00 C ATOM 1012 O LYS A 65 9.818 1.306 -20.067 1.00 0.00 O ATOM 1013 CB LYS A 65 9.795 -1.873 -19.083 1.00 0.00 C ATOM 1014 CG LYS A 65 9.141 -2.711 -20.184 1.00 0.00 C ATOM 1015 CD LYS A 65 9.689 -4.139 -20.127 1.00 0.00 C ATOM 1016 CE LYS A 65 9.107 -4.871 -18.915 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.116 -5.772 -18.288 1.00 0.00 N ATOM 0 H LYS A 65 7.394 -1.906 -18.425 1.00 0.00 H new ATOM 0 HA LYS A 65 9.394 -0.061 -17.984 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.816 -1.620 -19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.854 -2.452 -18.161 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.059 -2.719 -20.056 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.343 -2.271 -21.160 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.434 -4.673 -21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.777 -4.118 -20.063 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.760 -4.144 -18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.238 -5.453 -19.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.691 -6.253 -17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.428 -6.480 -18.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.934 -5.212 -17.974 1.00 0.00 H new ATOM 1031 N THR A 66 8.362 -0.040 -21.132 1.00 0.00 N ATOM 1032 CA THR A 66 8.383 0.749 -22.363 1.00 0.00 C ATOM 1033 C THR A 66 7.930 2.184 -22.093 1.00 0.00 C ATOM 1034 O THR A 66 8.467 3.134 -22.661 1.00 0.00 O ATOM 1035 CB THR A 66 7.464 0.123 -23.417 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.805 -1.245 -23.585 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.631 0.856 -24.751 1.00 0.00 C ATOM 0 H THR A 66 7.753 -0.858 -21.161 1.00 0.00 H new ATOM 0 HA THR A 66 9.408 0.760 -22.735 1.00 0.00 H new ATOM 0 HB THR A 66 6.428 0.206 -23.088 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.052 -1.807 -23.305 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.975 0.407 -25.497 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.370 1.907 -24.624 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.666 0.777 -25.083 1.00 0.00 H new ATOM 1045 N LYS A 67 6.930 2.325 -21.227 1.00 0.00 N ATOM 1046 CA LYS A 67 6.401 3.646 -20.891 1.00 0.00 C ATOM 1047 C LYS A 67 7.463 4.499 -20.206 1.00 0.00 C ATOM 1048 O LYS A 67 7.776 5.603 -20.649 1.00 0.00 O ATOM 1049 CB LYS A 67 5.192 3.518 -19.964 1.00 0.00 C ATOM 1050 CG LYS A 67 3.938 3.235 -20.793 1.00 0.00 C ATOM 1051 CD LYS A 67 3.377 4.551 -21.335 1.00 0.00 C ATOM 1052 CE LYS A 67 1.917 4.353 -21.746 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.784 3.295 -22.788 1.00 0.00 N ATOM 0 H LYS A 67 6.472 1.549 -20.748 1.00 0.00 H new ATOM 0 HA LYS A 67 6.100 4.128 -21.821 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.355 2.714 -19.246 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.062 4.436 -19.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.178 2.563 -21.617 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.189 2.733 -20.180 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.450 5.330 -20.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.965 4.884 -22.190 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.325 4.081 -20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.514 5.292 -22.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.825 3.323 -23.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.481 3.461 -23.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.953 2.363 -22.359 1.00 0.00 H new ATOM 1067 N PHE A 68 8.009 3.981 -19.112 1.00 0.00 N ATOM 1068 CA PHE A 68 9.032 4.711 -18.369 1.00 0.00 C ATOM 1069 C PHE A 68 10.318 4.825 -19.185 1.00 0.00 C ATOM 1070 O PHE A 68 11.089 5.772 -19.023 1.00 0.00 O ATOM 1071 CB PHE A 68 9.343 4.001 -17.051 1.00 0.00 C ATOM 1072 CG PHE A 68 8.407 4.501 -15.977 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.469 5.837 -15.563 1.00 0.00 C ATOM 1074 CD2 PHE A 68 7.479 3.629 -15.396 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.601 6.301 -14.568 1.00 0.00 C ATOM 1076 CE2 PHE A 68 6.611 4.094 -14.401 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.671 5.430 -13.987 1.00 0.00 C ATOM 0 H PHE A 68 7.765 3.070 -18.723 1.00 0.00 H new ATOM 0 HA PHE A 68 8.645 5.710 -18.166 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.233 2.923 -17.171 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.378 4.185 -16.761 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.186 6.509 -16.011 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.433 2.598 -15.715 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.648 7.331 -14.248 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.895 3.422 -13.952 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.001 5.789 -13.220 1.00 0.00 H new ATOM 1087 N LYS A 69 10.548 3.847 -20.058 1.00 0.00 N ATOM 1088 CA LYS A 69 11.753 3.844 -20.885 1.00 0.00 C ATOM 1089 C LYS A 69 11.661 4.876 -22.006 1.00 0.00 C ATOM 1090 O LYS A 69 12.591 5.650 -22.229 1.00 0.00 O ATOM 1091 CB LYS A 69 11.976 2.463 -21.501 1.00 0.00 C ATOM 1092 CG LYS A 69 12.640 1.542 -20.472 1.00 0.00 C ATOM 1093 CD LYS A 69 14.155 1.522 -20.699 1.00 0.00 C ATOM 1094 CE LYS A 69 14.532 0.308 -21.551 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.485 0.625 -23.008 1.00 0.00 N ATOM 0 H LYS A 69 9.924 3.055 -20.211 1.00 0.00 H new ATOM 0 HA LYS A 69 12.591 4.100 -20.237 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.025 2.039 -21.823 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.604 2.546 -22.388 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.418 1.889 -19.463 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.236 0.533 -20.558 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.470 2.439 -21.196 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.676 1.483 -19.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.534 -0.029 -21.283 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.851 -0.515 -21.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.859 -0.180 -23.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.501 0.807 -23.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.062 1.469 -23.198 1.00 0.00 H new ATOM 1109 N GLU A 70 10.537 4.874 -22.727 1.00 0.00 N ATOM 1110 CA GLU A 70 10.352 5.812 -23.840 1.00 0.00 C ATOM 1111 C GLU A 70 10.620 7.258 -23.407 1.00 0.00 C ATOM 1112 O GLU A 70 10.279 7.669 -22.297 1.00 0.00 O ATOM 1113 CB GLU A 70 8.934 5.707 -24.419 1.00 0.00 C ATOM 1114 CG GLU A 70 7.893 6.040 -23.343 1.00 0.00 C ATOM 1115 CD GLU A 70 6.759 6.852 -23.962 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.303 6.478 -25.031 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.363 7.836 -23.359 1.00 0.00 O ATOM 0 H GLU A 70 9.751 4.244 -22.565 1.00 0.00 H new ATOM 0 HA GLU A 70 11.074 5.539 -24.610 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.827 6.390 -25.262 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.763 4.700 -24.800 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.500 5.122 -22.906 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.358 6.604 -22.535 1.00 0.00 H new ATOM 1124 N ASN A 71 11.241 8.019 -24.306 1.00 0.00 N ATOM 1125 CA ASN A 71 11.560 9.421 -24.031 1.00 0.00 C ATOM 1126 C ASN A 71 12.505 9.568 -22.834 1.00 0.00 C ATOM 1127 O ASN A 71 12.654 10.662 -22.288 1.00 0.00 O ATOM 1128 CB ASN A 71 10.282 10.213 -23.749 1.00 0.00 C ATOM 1129 CG ASN A 71 9.667 10.675 -25.066 1.00 0.00 C ATOM 1130 OD1 ASN A 71 10.346 11.280 -25.896 1.00 0.00 O ATOM 1131 ND2 ASN A 71 8.410 10.424 -25.308 1.00 0.00 N ATOM 0 H ASN A 71 11.533 7.692 -25.227 1.00 0.00 H new ATOM 0 HA ASN A 71 12.058 9.813 -24.918 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.572 9.594 -23.201 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.507 11.074 -23.119 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.989 10.729 -26.185 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.848 9.923 -24.620 1.00 0.00 H new ATOM 1138 N SER A 72 13.152 8.473 -22.430 1.00 0.00 N ATOM 1139 CA SER A 72 14.077 8.532 -21.301 1.00 0.00 C ATOM 1140 C SER A 72 15.444 9.026 -21.762 1.00 0.00 C ATOM 1141 O SER A 72 15.936 8.635 -22.821 1.00 0.00 O ATOM 1142 CB SER A 72 14.241 7.155 -20.655 1.00 0.00 C ATOM 1143 OG SER A 72 15.021 7.282 -19.473 1.00 0.00 O ATOM 0 H SER A 72 13.055 7.553 -22.859 1.00 0.00 H new ATOM 0 HA SER A 72 13.661 9.224 -20.568 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.264 6.733 -20.417 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.723 6.469 -21.351 1.00 0.00 H new ATOM 0 HG SER A 72 14.498 6.979 -18.702 1.00 0.00 H new ATOM 1149 N GLU A 73 16.055 9.886 -20.954 1.00 0.00 N ATOM 1150 CA GLU A 73 17.372 10.419 -21.286 1.00 0.00 C ATOM 1151 C GLU A 73 18.442 9.380 -20.977 1.00 0.00 C ATOM 1152 O GLU A 73 19.365 9.161 -21.761 1.00 0.00 O ATOM 1153 CB GLU A 73 17.656 11.689 -20.480 1.00 0.00 C ATOM 1154 CG GLU A 73 18.881 12.399 -21.062 1.00 0.00 C ATOM 1155 CD GLU A 73 19.456 13.354 -20.021 1.00 0.00 C ATOM 1156 OE1 GLU A 73 19.620 12.934 -18.887 1.00 0.00 O ATOM 1157 OE2 GLU A 73 19.724 14.491 -20.372 1.00 0.00 O ATOM 0 H GLU A 73 15.665 10.226 -20.075 1.00 0.00 H new ATOM 0 HA GLU A 73 17.388 10.661 -22.349 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.791 12.351 -20.508 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.831 11.437 -19.434 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.634 11.667 -21.355 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.603 12.949 -21.961 1.00 0.00 H new ATOM 1164 N HIS A 74 18.296 8.738 -19.822 1.00 0.00 N ATOM 1165 CA HIS A 74 19.241 7.709 -19.402 1.00 0.00 C ATOM 1166 C HIS A 74 18.528 6.676 -18.523 1.00 0.00 C ATOM 1167 O HIS A 74 18.729 6.635 -17.307 1.00 0.00 O ATOM 1168 CB HIS A 74 20.399 8.333 -18.618 1.00 0.00 C ATOM 1169 CG HIS A 74 21.474 8.774 -19.575 1.00 0.00 C ATOM 1170 ND1 HIS A 74 21.816 8.342 -20.832 1.00 0.00 N flip ATOM 1171 CD2 HIS A 74 22.362 9.793 -19.270 1.00 0.00 C flip ATOM 1172 CE1 HIS A 74 22.898 9.081 -21.302 1.00 0.00 C flip ATOM 1173 NE2 HIS A 74 23.187 9.941 -20.322 1.00 0.00 N flip ATOM 0 H HIS A 74 17.537 8.911 -19.163 1.00 0.00 H new ATOM 0 HA HIS A 74 19.639 7.220 -20.291 1.00 0.00 H new ATOM 0 HB2 HIS A 74 20.042 9.184 -18.038 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.803 7.611 -17.909 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.387 10.365 -18.354 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.397 8.980 -22.255 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.941 10.626 -20.366 1.00 0.00 H new ATOM 1181 N PRO A 75 17.675 5.833 -19.122 1.00 0.00 N ATOM 1182 CA PRO A 75 16.930 4.811 -18.372 1.00 0.00 C ATOM 1183 C PRO A 75 17.845 3.695 -17.834 1.00 0.00 C ATOM 1184 O PRO A 75 18.374 3.817 -16.729 1.00 0.00 O ATOM 1185 CB PRO A 75 15.902 4.290 -19.380 1.00 0.00 C ATOM 1186 CG PRO A 75 16.501 4.565 -20.718 1.00 0.00 C ATOM 1187 CD PRO A 75 17.358 5.789 -20.563 1.00 0.00 C ATOM 0 HA PRO A 75 16.460 5.216 -17.476 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.718 3.225 -19.241 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.944 4.797 -19.265 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.095 3.717 -21.058 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.723 4.729 -21.464 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.263 5.720 -21.167 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.829 6.687 -20.882 1.00 0.00 H new ATOM 1195 N GLU A 76 18.033 2.613 -18.619 1.00 0.00 N ATOM 1196 CA GLU A 76 18.891 1.481 -18.215 1.00 0.00 C ATOM 1197 C GLU A 76 18.747 1.143 -16.726 1.00 0.00 C ATOM 1198 O GLU A 76 19.702 0.709 -16.081 1.00 0.00 O ATOM 1199 CB GLU A 76 20.361 1.792 -18.515 1.00 0.00 C ATOM 1200 CG GLU A 76 20.779 3.073 -17.791 1.00 0.00 C ATOM 1201 CD GLU A 76 22.293 3.233 -17.873 1.00 0.00 C ATOM 1202 OE1 GLU A 76 22.975 2.672 -17.033 1.00 0.00 O ATOM 1203 OE2 GLU A 76 22.748 3.915 -18.777 1.00 0.00 O ATOM 0 H GLU A 76 17.601 2.500 -19.536 1.00 0.00 H new ATOM 0 HA GLU A 76 18.563 0.617 -18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.990 0.961 -18.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.506 1.907 -19.589 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.287 3.935 -18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.463 3.034 -16.749 1.00 0.00 H new ATOM 1210 N LYS A 77 17.548 1.355 -16.190 1.00 0.00 N ATOM 1211 CA LYS A 77 17.298 1.078 -14.777 1.00 0.00 C ATOM 1212 C LYS A 77 15.873 0.573 -14.555 1.00 0.00 C ATOM 1213 O LYS A 77 15.647 -0.367 -13.793 1.00 0.00 O ATOM 1214 CB LYS A 77 17.503 2.344 -13.940 1.00 0.00 C ATOM 1215 CG LYS A 77 19.000 2.625 -13.786 1.00 0.00 C ATOM 1216 CD LYS A 77 19.596 1.674 -12.747 1.00 0.00 C ATOM 1217 CE LYS A 77 21.122 1.754 -12.798 1.00 0.00 C ATOM 1218 NZ LYS A 77 21.613 3.087 -12.345 1.00 0.00 N ATOM 0 H LYS A 77 16.743 1.713 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 77 18.004 0.307 -14.468 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.012 3.191 -14.418 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.044 2.221 -12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.505 2.496 -14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.157 3.659 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.241 1.938 -11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.268 0.653 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.550 0.974 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.464 1.565 -13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.648 3.126 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.183 3.832 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.351 3.234 -11.349 1.00 0.00 H new ATOM 1232 N VAL A 78 14.910 1.214 -15.216 1.00 0.00 N ATOM 1233 CA VAL A 78 13.506 0.827 -15.071 1.00 0.00 C ATOM 1234 C VAL A 78 13.304 -0.641 -15.446 1.00 0.00 C ATOM 1235 O VAL A 78 12.615 -1.383 -14.747 1.00 0.00 O ATOM 1236 CB VAL A 78 12.611 1.703 -15.957 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.136 1.377 -15.687 1.00 0.00 C ATOM 1238 CG2 VAL A 78 12.872 3.184 -15.649 1.00 0.00 C ATOM 0 H VAL A 78 15.073 1.996 -15.851 1.00 0.00 H new ATOM 0 HA VAL A 78 13.230 0.969 -14.026 1.00 0.00 H new ATOM 0 HB VAL A 78 12.839 1.504 -17.004 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.504 2.001 -16.318 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.948 0.327 -15.911 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.906 1.571 -14.639 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.235 3.804 -16.280 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.649 3.382 -14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.918 3.418 -15.848 1.00 0.00 H new ATOM 1248 N ASP A 79 13.908 -1.055 -16.561 1.00 0.00 N ATOM 1249 CA ASP A 79 13.781 -2.444 -17.020 1.00 0.00 C ATOM 1250 C ASP A 79 14.140 -3.430 -15.904 1.00 0.00 C ATOM 1251 O ASP A 79 13.378 -4.351 -15.606 1.00 0.00 O ATOM 1252 CB ASP A 79 14.681 -2.708 -18.236 1.00 0.00 C ATOM 1253 CG ASP A 79 16.076 -2.136 -17.999 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.197 -0.922 -17.943 1.00 0.00 O ATOM 1255 OD2 ASP A 79 17.003 -2.919 -17.877 1.00 0.00 O ATOM 0 H ASP A 79 14.483 -0.460 -17.158 1.00 0.00 H new ATOM 0 HA ASP A 79 12.740 -2.594 -17.306 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.747 -3.780 -18.422 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.242 -2.257 -19.126 1.00 0.00 H new ATOM 1260 N ASP A 80 15.300 -3.221 -15.288 1.00 0.00 N ATOM 1261 CA ASP A 80 15.743 -4.094 -14.203 1.00 0.00 C ATOM 1262 C ASP A 80 14.876 -3.889 -12.964 1.00 0.00 C ATOM 1263 O ASP A 80 14.563 -4.837 -12.242 1.00 0.00 O ATOM 1264 CB ASP A 80 17.202 -3.800 -13.843 1.00 0.00 C ATOM 1265 CG ASP A 80 18.120 -4.682 -14.682 1.00 0.00 C ATOM 1266 OD1 ASP A 80 18.268 -5.844 -14.339 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.662 -4.184 -15.654 1.00 0.00 O ATOM 0 H ASP A 80 15.944 -2.464 -15.517 1.00 0.00 H new ATOM 0 HA ASP A 80 15.652 -5.126 -14.543 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.427 -2.749 -14.022 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.371 -3.986 -12.782 1.00 0.00 H new ATOM 1272 N LEU A 81 14.501 -2.637 -12.721 1.00 0.00 N ATOM 1273 CA LEU A 81 13.678 -2.303 -11.561 1.00 0.00 C ATOM 1274 C LEU A 81 12.305 -2.963 -11.654 1.00 0.00 C ATOM 1275 O LEU A 81 11.840 -3.589 -10.705 1.00 0.00 O ATOM 1276 CB LEU A 81 13.502 -0.785 -11.452 1.00 0.00 C ATOM 1277 CG LEU A 81 14.542 -0.063 -10.590 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.745 1.360 -11.111 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.052 -0.009 -9.141 1.00 0.00 C ATOM 0 H LEU A 81 14.751 -1.841 -13.307 1.00 0.00 H new ATOM 0 HA LEU A 81 14.189 -2.676 -10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.529 -0.360 -12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.512 -0.579 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 81 15.488 -0.603 -10.637 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.485 1.871 -10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.094 1.323 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.800 1.902 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.791 0.505 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.106 0.530 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.910 -1.023 -8.767 1.00 0.00 H new ATOM 1291 N VAL A 82 11.657 -2.809 -12.807 1.00 0.00 N ATOM 1292 CA VAL A 82 10.328 -3.388 -13.012 1.00 0.00 C ATOM 1293 C VAL A 82 10.362 -4.902 -12.811 1.00 0.00 C ATOM 1294 O VAL A 82 9.406 -5.499 -12.317 1.00 0.00 O ATOM 1295 CB VAL A 82 9.823 -3.074 -14.426 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.380 -3.567 -14.591 1.00 0.00 C ATOM 1297 CG2 VAL A 82 9.873 -1.559 -14.666 1.00 0.00 C ATOM 0 H VAL A 82 12.025 -2.294 -13.607 1.00 0.00 H new ATOM 0 HA VAL A 82 9.651 -2.948 -12.280 1.00 0.00 H new ATOM 0 HB VAL A 82 10.460 -3.581 -15.150 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.031 -3.339 -15.598 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.343 -4.644 -14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.740 -3.068 -13.863 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.514 -1.338 -15.671 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.241 -1.054 -13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.900 -1.208 -14.562 1.00 0.00 H new ATOM 1307 N ALA A 83 11.474 -5.514 -13.198 1.00 0.00 N ATOM 1308 CA ALA A 83 11.622 -6.958 -13.054 1.00 0.00 C ATOM 1309 C ALA A 83 11.544 -7.370 -11.584 1.00 0.00 C ATOM 1310 O ALA A 83 10.664 -8.132 -11.183 1.00 0.00 O ATOM 1311 CB ALA A 83 12.966 -7.415 -13.625 1.00 0.00 C ATOM 0 H ALA A 83 12.278 -5.041 -13.609 1.00 0.00 H new ATOM 0 HA ALA A 83 10.808 -7.431 -13.603 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.062 -8.495 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.019 -7.156 -14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.776 -6.920 -13.089 1.00 0.00 H new ATOM 1317 N LYS A 84 12.492 -6.873 -10.793 1.00 0.00 N ATOM 1318 CA LYS A 84 12.550 -7.206 -9.369 1.00 0.00 C ATOM 1319 C LYS A 84 11.450 -6.511 -8.564 1.00 0.00 C ATOM 1320 O LYS A 84 11.089 -6.966 -7.478 1.00 0.00 O ATOM 1321 CB LYS A 84 13.909 -6.804 -8.790 1.00 0.00 C ATOM 1322 CG LYS A 84 14.283 -7.760 -7.655 1.00 0.00 C ATOM 1323 CD LYS A 84 15.649 -7.369 -7.089 1.00 0.00 C ATOM 1324 CE LYS A 84 16.748 -8.123 -7.839 1.00 0.00 C ATOM 1325 NZ LYS A 84 18.085 -7.893 -7.220 1.00 0.00 N ATOM 0 H LYS A 84 13.228 -6.241 -11.110 1.00 0.00 H new ATOM 0 HA LYS A 84 12.403 -8.283 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.671 -6.832 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.870 -5.780 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.528 -7.723 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.310 -8.786 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.800 -6.294 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.694 -7.603 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.524 -9.190 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.767 -7.801 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.809 -8.418 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.308 -6.877 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.072 -8.223 -6.234 1.00 0.00 H new ATOM 1339 N CYS A 85 10.930 -5.400 -9.083 1.00 0.00 N ATOM 1340 CA CYS A 85 9.886 -4.666 -8.366 1.00 0.00 C ATOM 1341 C CYS A 85 8.498 -5.192 -8.714 1.00 0.00 C ATOM 1342 O CYS A 85 7.660 -5.392 -7.835 1.00 0.00 O ATOM 1343 CB CYS A 85 9.941 -3.173 -8.697 1.00 0.00 C ATOM 1344 SG CYS A 85 11.471 -2.459 -8.040 1.00 0.00 S ATOM 0 H CYS A 85 11.206 -4.994 -9.977 1.00 0.00 H new ATOM 0 HA CYS A 85 10.070 -4.813 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.895 -3.028 -9.776 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.077 -2.664 -8.269 1.00 0.00 H new ATOM 1349 N ALA A 86 8.258 -5.409 -10.003 1.00 0.00 N ATOM 1350 CA ALA A 86 6.955 -5.903 -10.456 1.00 0.00 C ATOM 1351 C ALA A 86 6.869 -7.435 -10.394 1.00 0.00 C ATOM 1352 O ALA A 86 6.346 -8.076 -11.308 1.00 0.00 O ATOM 1353 CB ALA A 86 6.694 -5.444 -11.895 1.00 0.00 C ATOM 0 H ALA A 86 8.937 -5.254 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 86 6.200 -5.492 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.724 -5.815 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.699 -4.355 -11.936 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.473 -5.835 -12.549 1.00 0.00 H new ATOM 1359 N VAL A 87 7.370 -8.024 -9.307 1.00 0.00 N ATOM 1360 CA VAL A 87 7.322 -9.476 -9.155 1.00 0.00 C ATOM 1361 C VAL A 87 5.875 -9.960 -9.122 1.00 0.00 C ATOM 1362 O VAL A 87 5.026 -9.378 -8.447 1.00 0.00 O ATOM 1363 CB VAL A 87 8.026 -9.910 -7.864 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.531 -9.680 -8.003 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.496 -9.092 -6.682 1.00 0.00 C ATOM 0 H VAL A 87 7.807 -7.526 -8.531 1.00 0.00 H new ATOM 0 HA VAL A 87 7.835 -9.919 -10.009 1.00 0.00 H new ATOM 0 HB VAL A 87 7.830 -10.968 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.032 -9.988 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.913 -10.265 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.722 -8.622 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.000 -9.405 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.687 -8.033 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.423 -9.255 -6.579 1.00 0.00 H new ATOM 1375 N LYS A 88 5.602 -11.033 -9.859 1.00 0.00 N ATOM 1376 CA LYS A 88 4.249 -11.587 -9.902 1.00 0.00 C ATOM 1377 C LYS A 88 3.861 -12.136 -8.533 1.00 0.00 C ATOM 1378 O LYS A 88 4.488 -13.062 -8.018 1.00 0.00 O ATOM 1379 CB LYS A 88 4.142 -12.709 -10.943 1.00 0.00 C ATOM 1380 CG LYS A 88 5.307 -13.692 -10.780 1.00 0.00 C ATOM 1381 CD LYS A 88 4.802 -15.127 -10.953 1.00 0.00 C ATOM 1382 CE LYS A 88 4.232 -15.632 -9.627 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.383 -16.840 -9.824 1.00 0.00 N ATOM 0 H LYS A 88 6.287 -11.531 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 88 3.570 -10.782 -10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.194 -13.234 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.151 -12.286 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.081 -13.478 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.761 -13.572 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.036 -15.163 -11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.616 -15.773 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.049 -15.867 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.642 -14.844 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.012 -17.157 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.590 -16.608 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.953 -17.600 -10.248 1.00 0.00 H new ATOM 1397 N LYS A 89 2.820 -11.553 -7.946 1.00 0.00 N ATOM 1398 CA LYS A 89 2.357 -11.989 -6.632 1.00 0.00 C ATOM 1399 C LYS A 89 1.158 -12.922 -6.765 1.00 0.00 C ATOM 1400 O LYS A 89 0.736 -13.263 -7.871 1.00 0.00 O ATOM 1401 CB LYS A 89 1.958 -10.782 -5.778 1.00 0.00 C ATOM 1402 CG LYS A 89 3.176 -9.879 -5.568 1.00 0.00 C ATOM 1403 CD LYS A 89 4.223 -10.619 -4.732 1.00 0.00 C ATOM 1404 CE LYS A 89 5.237 -9.616 -4.175 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.878 -9.193 -2.792 1.00 0.00 N ATOM 0 H LYS A 89 2.286 -10.786 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 89 3.176 -12.522 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.159 -10.225 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.570 -11.116 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.600 -9.593 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.878 -8.959 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.739 -11.154 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.732 -11.364 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.231 -10.063 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.281 -8.742 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.709 -8.771 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.111 -8.492 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.563 -10.021 -2.247 1.00 0.00 H new ATOM 1419 N ASP A 90 0.616 -13.331 -5.622 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.537 -14.229 -5.608 1.00 0.00 C ATOM 1421 C ASP A 90 -1.781 -13.542 -6.173 1.00 0.00 C ATOM 1422 O ASP A 90 -2.729 -14.205 -6.594 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.833 -14.693 -4.180 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.988 -13.477 -3.271 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.024 -12.924 -2.877 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.119 -13.119 -2.985 1.00 0.00 O ATOM 0 H ASP A 90 0.953 -13.058 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.291 -15.087 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.744 -15.292 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.026 -15.330 -3.819 1.00 0.00 H new ATOM 1431 N THR A 91 -1.777 -12.208 -6.179 1.00 0.00 N ATOM 1432 CA THR A 91 -2.921 -11.461 -6.695 1.00 0.00 C ATOM 1433 C THR A 91 -2.455 -10.173 -7.380 1.00 0.00 C ATOM 1434 O THR A 91 -1.321 -9.734 -7.186 1.00 0.00 O ATOM 1435 CB THR A 91 -3.883 -11.103 -5.560 1.00 0.00 C ATOM 1436 OG1 THR A 91 -3.154 -10.972 -4.348 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.932 -12.206 -5.411 1.00 0.00 C ATOM 0 H THR A 91 -1.007 -11.632 -5.838 1.00 0.00 H new ATOM 0 HA THR A 91 -3.435 -12.092 -7.420 1.00 0.00 H new ATOM 0 HB THR A 91 -4.381 -10.161 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.921 -11.861 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.617 -11.950 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.491 -12.305 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.437 -13.150 -5.183 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.324 -9.555 -8.193 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.986 -8.315 -8.908 1.00 0.00 C ATOM 1447 C PRO A 92 -2.918 -7.102 -7.984 1.00 0.00 C ATOM 1448 O PRO A 92 -1.937 -6.358 -7.986 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.118 -8.151 -9.918 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.273 -8.890 -9.334 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.700 -9.995 -8.493 1.00 0.00 C ATOM 0 HA PRO A 92 -1.999 -8.378 -9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.360 -7.099 -10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.841 -8.559 -10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.892 -8.226 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.911 -9.294 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.278 -10.140 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.705 -10.945 -9.028 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.974 -6.905 -7.197 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.023 -5.771 -6.273 1.00 0.00 C ATOM 1461 C GLN A 93 -2.832 -5.789 -5.316 1.00 0.00 C ATOM 1462 O GLN A 93 -2.403 -4.746 -4.822 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.326 -5.788 -5.466 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.443 -7.105 -4.698 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.903 -7.544 -4.652 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.796 -6.730 -4.412 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.203 -8.795 -4.870 1.00 0.00 N ATOM 0 H GLN A 93 -4.798 -7.506 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.981 -4.859 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.345 -4.948 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.179 -5.669 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.837 -7.873 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.058 -6.983 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.464 -9.469 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.176 -9.098 -4.842 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.296 -6.982 -5.066 1.00 0.00 N ATOM 1477 CA HIS A 94 -1.146 -7.112 -4.178 1.00 0.00 C ATOM 1478 C HIS A 94 0.113 -6.636 -4.890 1.00 0.00 C ATOM 1479 O HIS A 94 0.818 -5.747 -4.413 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.959 -8.569 -3.750 1.00 0.00 C ATOM 1481 CG HIS A 94 -0.315 -8.615 -2.392 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.983 -8.426 -1.986 1.00 0.00 N flip ATOM 1483 CD2 HIS A 94 -1.037 -8.888 -1.241 1.00 0.00 C flip ATOM 1484 CE1 HIS A 94 1.068 -8.579 -0.604 1.00 0.00 C flip ATOM 1485 NE2 HIS A 94 -0.177 -8.856 -0.206 1.00 0.00 N flip ATOM 0 H HIS A 94 -2.634 -7.860 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.324 -6.501 -3.293 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.923 -9.078 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.339 -9.096 -4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.097 -9.090 -1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.950 -8.492 0.013 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.443 -9.023 0.764 1.00 0.00 H new ATOM 1493 N SER A 95 0.381 -7.236 -6.051 1.00 0.00 N ATOM 1494 CA SER A 95 1.555 -6.875 -6.856 1.00 0.00 C ATOM 1495 C SER A 95 1.670 -5.357 -7.030 1.00 0.00 C ATOM 1496 O SER A 95 2.765 -4.819 -7.201 1.00 0.00 O ATOM 1497 CB SER A 95 1.471 -7.524 -8.237 1.00 0.00 C ATOM 1498 OG SER A 95 0.259 -7.133 -8.869 1.00 0.00 O ATOM 0 H SER A 95 -0.196 -7.973 -6.456 1.00 0.00 H new ATOM 0 HA SER A 95 2.436 -7.237 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.324 -7.224 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.512 -8.609 -8.144 1.00 0.00 H new ATOM 0 HG SER A 95 -0.311 -6.666 -8.223 1.00 0.00 H new ATOM 1504 N SER A 96 0.524 -4.674 -6.987 1.00 0.00 N ATOM 1505 CA SER A 96 0.503 -3.218 -7.144 1.00 0.00 C ATOM 1506 C SER A 96 1.387 -2.548 -6.094 1.00 0.00 C ATOM 1507 O SER A 96 2.190 -1.670 -6.408 1.00 0.00 O ATOM 1508 CB SER A 96 -0.923 -2.684 -7.011 1.00 0.00 C ATOM 1509 OG SER A 96 -0.950 -1.313 -7.386 1.00 0.00 O ATOM 0 H SER A 96 -0.392 -5.100 -6.846 1.00 0.00 H new ATOM 0 HA SER A 96 0.886 -2.986 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.599 -3.259 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.272 -2.799 -5.985 1.00 0.00 H new ATOM 0 HG SER A 96 -0.967 -1.241 -8.363 1.00 0.00 H new ATOM 1515 N ALA A 97 1.240 -2.979 -4.841 1.00 0.00 N ATOM 1516 CA ALA A 97 2.043 -2.416 -3.756 1.00 0.00 C ATOM 1517 C ALA A 97 3.528 -2.639 -4.037 1.00 0.00 C ATOM 1518 O ALA A 97 4.335 -1.713 -3.968 1.00 0.00 O ATOM 1519 CB ALA A 97 1.677 -3.066 -2.417 1.00 0.00 C ATOM 0 H ALA A 97 0.583 -3.705 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 97 1.837 -1.347 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.286 -2.633 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.623 -2.889 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.861 -4.139 -2.471 1.00 0.00 H new ATOM 1525 N ASP A 98 3.873 -3.881 -4.374 1.00 0.00 N ATOM 1526 CA ASP A 98 5.259 -4.221 -4.686 1.00 0.00 C ATOM 1527 C ASP A 98 5.726 -3.428 -5.904 1.00 0.00 C ATOM 1528 O ASP A 98 6.877 -2.999 -5.984 1.00 0.00 O ATOM 1529 CB ASP A 98 5.395 -5.716 -4.981 1.00 0.00 C ATOM 1530 CG ASP A 98 5.171 -6.509 -3.699 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.021 -6.734 -3.358 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.152 -6.881 -3.076 1.00 0.00 O ATOM 0 H ASP A 98 3.219 -4.661 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 98 5.875 -3.971 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.670 -6.016 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.385 -5.929 -5.385 1.00 0.00 H new ATOM 1537 N PHE A 99 4.806 -3.233 -6.848 1.00 0.00 N ATOM 1538 CA PHE A 99 5.110 -2.481 -8.065 1.00 0.00 C ATOM 1539 C PHE A 99 5.530 -1.057 -7.699 1.00 0.00 C ATOM 1540 O PHE A 99 6.689 -0.676 -7.859 1.00 0.00 O ATOM 1541 CB PHE A 99 3.874 -2.449 -8.982 1.00 0.00 C ATOM 1542 CG PHE A 99 4.142 -1.621 -10.222 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.304 -1.832 -10.975 1.00 0.00 C ATOM 1544 CD2 PHE A 99 3.223 -0.641 -10.613 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.544 -1.061 -12.119 1.00 0.00 C ATOM 1546 CE2 PHE A 99 3.462 0.128 -11.755 1.00 0.00 C ATOM 1547 CZ PHE A 99 4.623 -0.081 -12.508 1.00 0.00 C ATOM 0 H PHE A 99 3.849 -3.583 -6.795 1.00 0.00 H new ATOM 0 HA PHE A 99 5.929 -2.968 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.603 -3.465 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.024 -2.034 -8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.014 -2.588 -10.674 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.328 -0.479 -10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.439 -1.222 -12.701 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.751 0.883 -12.056 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.809 0.514 -13.390 1.00 0.00 H new ATOM 1557 N PHE A 100 4.575 -0.282 -7.195 1.00 0.00 N ATOM 1558 CA PHE A 100 4.860 1.093 -6.797 1.00 0.00 C ATOM 1559 C PHE A 100 5.855 1.097 -5.643 1.00 0.00 C ATOM 1560 O PHE A 100 6.188 0.048 -5.093 1.00 0.00 O ATOM 1561 CB PHE A 100 3.578 1.802 -6.356 1.00 0.00 C ATOM 1562 CG PHE A 100 2.885 2.386 -7.563 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.218 3.671 -8.009 1.00 0.00 C ATOM 1564 CD2 PHE A 100 1.908 1.643 -8.238 1.00 0.00 C ATOM 1565 CE1 PHE A 100 2.576 4.213 -9.129 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.265 2.185 -9.358 1.00 0.00 C ATOM 1567 CZ PHE A 100 1.599 3.470 -9.803 1.00 0.00 C ATOM 0 H PHE A 100 3.609 -0.577 -7.053 1.00 0.00 H new ATOM 0 HA PHE A 100 5.281 1.620 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.917 1.099 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.813 2.591 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.971 4.244 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.650 0.652 -7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.834 5.204 -9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.512 1.612 -9.878 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.103 3.888 -10.666 1.00 0.00 H new ATOM 1577 N LYS A 101 6.327 2.288 -5.276 1.00 0.00 N ATOM 1578 CA LYS A 101 7.293 2.420 -4.175 1.00 0.00 C ATOM 1579 C LYS A 101 8.660 1.880 -4.595 1.00 0.00 C ATOM 1580 O LYS A 101 9.638 2.623 -4.678 1.00 0.00 O ATOM 1581 CB LYS A 101 6.828 1.662 -2.918 1.00 0.00 C ATOM 1582 CG LYS A 101 5.332 1.902 -2.681 1.00 0.00 C ATOM 1583 CD LYS A 101 4.955 1.432 -1.274 1.00 0.00 C ATOM 1584 CE LYS A 101 3.480 1.744 -1.011 1.00 0.00 C ATOM 1585 NZ LYS A 101 2.590 0.720 -1.627 1.00 0.00 N ATOM 0 H LYS A 101 6.063 3.169 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 101 7.366 3.482 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.019 0.595 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.399 1.994 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.100 2.961 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.744 1.364 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.134 0.361 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.581 1.929 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.301 1.785 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.237 2.728 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.821 1.194 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.140 0.134 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.187 0.117 -0.882 1.00 0.00 H new ATOM 1599 N CYS A 102 8.715 0.571 -4.857 1.00 0.00 N ATOM 1600 CA CYS A 102 9.961 -0.091 -5.269 1.00 0.00 C ATOM 1601 C CYS A 102 10.707 0.715 -6.338 1.00 0.00 C ATOM 1602 O CYS A 102 11.935 0.689 -6.409 1.00 0.00 O ATOM 1603 CB CYS A 102 9.650 -1.480 -5.829 1.00 0.00 C ATOM 1604 SG CYS A 102 11.188 -2.412 -6.041 1.00 0.00 S ATOM 0 H CYS A 102 7.911 -0.054 -4.792 1.00 0.00 H new ATOM 0 HA CYS A 102 10.597 -0.168 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.981 -2.013 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.134 -1.390 -6.785 1.00 0.00 H new ATOM 1609 N VAL A 103 9.948 1.430 -7.164 1.00 0.00 N ATOM 1610 CA VAL A 103 10.550 2.240 -8.222 1.00 0.00 C ATOM 1611 C VAL A 103 10.655 3.699 -7.781 1.00 0.00 C ATOM 1612 O VAL A 103 10.386 4.622 -8.551 1.00 0.00 O ATOM 1613 CB VAL A 103 9.720 2.156 -9.507 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.819 0.744 -10.086 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.255 2.479 -9.195 1.00 0.00 C ATOM 0 H VAL A 103 8.929 1.466 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 103 11.549 1.849 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 103 10.102 2.875 -10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.229 0.683 -11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.861 0.515 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.438 0.026 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.666 2.419 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.871 1.763 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.184 3.486 -8.784 1.00 0.00 H new ATOM 1625 N HIS A 104 11.057 3.892 -6.529 1.00 0.00 N ATOM 1626 CA HIS A 104 11.206 5.238 -5.981 1.00 0.00 C ATOM 1627 C HIS A 104 12.225 5.232 -4.846 1.00 0.00 C ATOM 1628 O HIS A 104 13.123 6.072 -4.793 1.00 0.00 O ATOM 1629 CB HIS A 104 9.869 5.755 -5.447 1.00 0.00 C ATOM 1630 CG HIS A 104 9.114 6.443 -6.552 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.731 7.300 -7.450 1.00 0.00 N ATOM 1632 CD2 HIS A 104 7.790 6.411 -6.914 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.789 7.743 -8.301 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.587 7.232 -8.019 1.00 0.00 N ATOM 0 H HIS A 104 11.284 3.140 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 104 11.549 5.893 -6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.280 4.928 -5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.039 6.448 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.023 5.836 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.981 8.428 -9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 104 6.709 7.406 -8.509 1.00 0.00 H new ATOM 1642 N ASP A 105 12.073 4.271 -3.940 1.00 0.00 N ATOM 1643 CA ASP A 105 12.984 4.154 -2.805 1.00 0.00 C ATOM 1644 C ASP A 105 14.277 3.459 -3.226 1.00 0.00 C ATOM 1645 O ASP A 105 15.347 3.726 -2.681 1.00 0.00 O ATOM 1646 CB ASP A 105 12.333 3.351 -1.677 1.00 0.00 C ATOM 1647 CG ASP A 105 11.315 4.225 -0.952 1.00 0.00 C ATOM 1648 OD1 ASP A 105 11.664 5.341 -0.605 1.00 0.00 O ATOM 1649 OD2 ASP A 105 10.202 3.766 -0.755 1.00 0.00 O ATOM 0 H ASP A 105 11.335 3.568 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 105 13.211 5.160 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.844 2.465 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.094 3.004 -0.978 1.00 0.00 H new ATOM 1654 N ASN A 106 14.164 2.563 -4.205 1.00 0.00 N ATOM 1655 CA ASN A 106 15.331 1.833 -4.693 1.00 0.00 C ATOM 1656 C ASN A 106 15.988 2.588 -5.845 1.00 0.00 C ATOM 1657 O ASN A 106 15.542 2.513 -6.990 1.00 0.00 O ATOM 1658 CB ASN A 106 14.926 0.439 -5.178 1.00 0.00 C ATOM 1659 CG ASN A 106 16.077 -0.534 -4.950 1.00 0.00 C ATOM 1660 OD1 ASN A 106 15.920 -1.540 -4.258 1.00 0.00 O ATOM 1661 ND2 ASN A 106 17.238 -0.293 -5.495 1.00 0.00 N ATOM 0 H ASN A 106 13.288 2.327 -4.671 1.00 0.00 H new ATOM 0 HA ASN A 106 16.038 1.739 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.038 0.100 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.668 0.472 -6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.014 -0.938 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.369 0.540 -6.069 1.00 0.00 H new ATOM 1668 N ARG A 107 17.054 3.318 -5.526 1.00 0.00 N ATOM 1669 CA ARG A 107 17.770 4.087 -6.539 1.00 0.00 C ATOM 1670 C ARG A 107 19.275 3.886 -6.394 1.00 0.00 C ATOM 1671 O ARG A 107 19.807 3.855 -5.285 1.00 0.00 O ATOM 1672 CB ARG A 107 17.451 5.576 -6.406 1.00 0.00 C ATOM 1673 CG ARG A 107 16.047 5.850 -6.947 1.00 0.00 C ATOM 1674 CD ARG A 107 15.982 7.271 -7.509 1.00 0.00 C ATOM 1675 NE ARG A 107 16.447 8.239 -6.517 1.00 0.00 N ATOM 1676 CZ ARG A 107 15.614 9.131 -5.990 1.00 0.00 C ATOM 1677 NH1 ARG A 107 14.761 9.759 -6.752 1.00 0.00 N ATOM 1678 NH2 ARG A 107 15.650 9.380 -4.709 1.00 0.00 N ATOM 0 H ARG A 107 17.438 3.393 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 107 17.449 3.734 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.515 5.880 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.185 6.166 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.799 5.129 -7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.310 5.728 -6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.595 7.341 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.959 7.505 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 107 17.424 8.230 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.733 9.566 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.122 10.443 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.317 8.890 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.011 10.064 -4.304 1.00 0.00 H new ATOM 1692 N SER A 108 19.954 3.749 -7.529 1.00 0.00 N ATOM 1693 CA SER A 108 21.400 3.551 -7.521 1.00 0.00 C ATOM 1694 C SER A 108 22.007 4.002 -8.845 1.00 0.00 C ATOM 1695 O SER A 108 21.985 3.220 -9.781 1.00 0.00 O ATOM 1696 CB SER A 108 21.738 2.077 -7.295 1.00 0.00 C ATOM 1697 OG SER A 108 21.164 1.299 -8.337 1.00 0.00 O ATOM 1698 OXT SER A 108 22.484 5.123 -8.904 1.00 0.00 O ATOM 0 H SER A 108 19.532 3.771 -8.457 1.00 0.00 H new ATOM 0 HA SER A 108 21.816 4.147 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.819 1.939 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.357 1.749 -6.328 1.00 0.00 H new ATOM 0 HG SER A 108 21.520 1.595 -9.201 1.00 0.00 H new TER 1704 SER A 108