USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 849 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 87 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0596) USER MOD Single : A 1 GLY N :NH3+ -96:sc= 0.0562 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.84 K(o=-0.84,f=-7.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.00809 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 54:sc= 0.0507 USER MOD Single : A 31 ASN : amide:sc= -3.01! C(o=-3!,f=-5.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.71! C(o=-2.7!,f=-8.2!) USER MOD Single : A 40 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-4!) USER MOD Single : A 56 SER OG : rot 122:sc= 1.11 USER MOD Single : A 57 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-0.56) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.03! C(o=-4!,f=-7!) USER MOD Single : A 64 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.7!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 36:sc= 0.693 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.006) USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0285) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.443 15.590 -3.394 1.00 0.00 N ATOM 2 CA GLY A 1 20.783 14.490 -4.076 1.00 0.00 C ATOM 3 C GLY A 1 21.675 13.248 -4.105 1.00 0.00 C ATOM 4 O GLY A 1 22.899 13.357 -4.049 1.00 0.00 O ATOM 0 H1 GLY A 1 21.136 15.617 -2.401 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.473 15.455 -3.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.193 16.486 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.845 14.256 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.533 14.787 -5.095 1.00 0.00 H new ATOM 8 N SER A 2 21.028 12.095 -4.191 1.00 0.00 N ATOM 9 CA SER A 2 21.748 10.833 -4.227 1.00 0.00 C ATOM 10 C SER A 2 22.006 10.419 -5.678 1.00 0.00 C ATOM 11 O SER A 2 21.138 10.576 -6.535 1.00 0.00 O ATOM 12 CB SER A 2 20.975 9.737 -3.492 1.00 0.00 C ATOM 13 OG SER A 2 19.802 9.343 -4.200 1.00 0.00 O ATOM 0 H SER A 2 20.013 12.008 -4.237 1.00 0.00 H new ATOM 0 HA SER A 2 22.703 10.969 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.621 8.871 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.697 10.093 -2.500 1.00 0.00 H new ATOM 0 HG SER A 2 19.338 8.641 -3.699 1.00 0.00 H new ATOM 19 N SER A 3 23.203 9.899 -5.907 1.00 0.00 N ATOM 20 CA SER A 3 23.586 9.462 -7.239 1.00 0.00 C ATOM 21 C SER A 3 22.428 8.706 -7.894 1.00 0.00 C ATOM 22 O SER A 3 21.949 9.097 -8.957 1.00 0.00 O ATOM 23 CB SER A 3 24.836 8.581 -7.191 1.00 0.00 C ATOM 24 OG SER A 3 25.948 9.197 -7.835 1.00 0.00 O ATOM 0 H SER A 3 23.920 9.770 -5.193 1.00 0.00 H new ATOM 0 HA SER A 3 23.819 10.344 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.090 8.369 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.624 7.625 -7.669 1.00 0.00 H new ATOM 0 HG SER A 3 26.727 8.604 -7.781 1.00 0.00 H new ATOM 30 N GLY A 4 22.013 7.635 -7.233 1.00 0.00 N ATOM 31 CA GLY A 4 20.921 6.821 -7.738 1.00 0.00 C ATOM 32 C GLY A 4 21.436 5.480 -8.266 1.00 0.00 C ATOM 33 O GLY A 4 22.481 5.423 -8.911 1.00 0.00 O ATOM 0 H GLY A 4 22.414 7.312 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.194 6.649 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.403 7.355 -8.535 1.00 0.00 H new ATOM 37 N SER A 5 20.677 4.434 -7.973 1.00 0.00 N ATOM 38 CA SER A 5 21.043 3.098 -8.410 1.00 0.00 C ATOM 39 C SER A 5 19.796 2.215 -8.495 1.00 0.00 C ATOM 40 O SER A 5 18.947 2.247 -7.607 1.00 0.00 O ATOM 41 CB SER A 5 22.072 2.472 -7.466 1.00 0.00 C ATOM 42 OG SER A 5 22.845 1.464 -8.112 1.00 0.00 O ATOM 0 H SER A 5 19.810 4.485 -7.438 1.00 0.00 H new ATOM 0 HA SER A 5 21.495 3.174 -9.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.735 3.249 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.560 2.041 -6.606 1.00 0.00 H new ATOM 0 HG SER A 5 23.491 1.090 -7.477 1.00 0.00 H new ATOM 48 N SER A 6 19.726 1.448 -9.573 1.00 0.00 N ATOM 49 CA SER A 6 18.598 0.558 -9.787 1.00 0.00 C ATOM 50 C SER A 6 17.324 1.374 -10.014 1.00 0.00 C ATOM 51 O SER A 6 17.154 2.443 -9.429 1.00 0.00 O ATOM 52 CB SER A 6 18.415 -0.393 -8.603 1.00 0.00 C ATOM 53 OG SER A 6 17.831 -1.631 -8.998 1.00 0.00 O ATOM 0 H SER A 6 20.433 1.425 -10.308 1.00 0.00 H new ATOM 0 HA SER A 6 18.800 -0.043 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.382 -0.581 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.785 0.082 -7.851 1.00 0.00 H new ATOM 0 HG SER A 6 17.732 -2.211 -8.214 1.00 0.00 H new ATOM 59 N GLY A 7 16.460 0.839 -10.865 1.00 0.00 N ATOM 60 CA GLY A 7 15.206 1.505 -11.176 1.00 0.00 C ATOM 61 C GLY A 7 14.014 0.701 -10.653 1.00 0.00 C ATOM 62 O GLY A 7 13.977 0.332 -9.480 1.00 0.00 O ATOM 0 H GLY A 7 16.604 -0.048 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.200 2.501 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.117 1.635 -12.255 1.00 0.00 H new ATOM 66 N LYS A 8 13.069 0.454 -11.548 1.00 0.00 N ATOM 67 CA LYS A 8 11.879 -0.299 -11.191 1.00 0.00 C ATOM 68 C LYS A 8 11.212 0.354 -9.978 1.00 0.00 C ATOM 69 O LYS A 8 11.280 -0.174 -8.869 1.00 0.00 O ATOM 70 CB LYS A 8 12.222 -1.776 -10.983 1.00 0.00 C ATOM 71 CG LYS A 8 12.953 -2.346 -12.200 1.00 0.00 C ATOM 72 CD LYS A 8 12.906 -3.875 -12.201 1.00 0.00 C ATOM 73 CE LYS A 8 13.792 -4.450 -13.309 1.00 0.00 C ATOM 74 NZ LYS A 8 15.142 -4.757 -12.786 1.00 0.00 N ATOM 0 H LYS A 8 13.103 0.762 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 8 11.155 -0.275 -12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.845 -1.887 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.309 -2.343 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.498 -1.964 -13.114 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.990 -2.010 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.236 -4.253 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.878 -4.211 -12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.338 -5.355 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.867 -3.737 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.730 -5.146 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.579 -3.887 -12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.067 -5.454 -12.018 1.00 0.00 H new ATOM 88 N LEU A 9 10.583 1.492 -10.231 1.00 0.00 N ATOM 89 CA LEU A 9 9.905 2.223 -9.174 1.00 0.00 C ATOM 90 C LEU A 9 10.928 2.656 -8.122 1.00 0.00 C ATOM 91 O LEU A 9 11.752 1.854 -7.686 1.00 0.00 O ATOM 92 CB LEU A 9 8.751 1.395 -8.606 1.00 0.00 C ATOM 93 CG LEU A 9 7.557 1.179 -9.539 1.00 0.00 C ATOM 94 CD1 LEU A 9 7.044 -0.259 -9.448 1.00 0.00 C ATOM 95 CD2 LEU A 9 6.453 2.201 -9.261 1.00 0.00 C ATOM 0 H LEU A 9 10.529 1.926 -11.152 1.00 0.00 H new ATOM 0 HA LEU A 9 9.451 3.131 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.139 0.419 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.394 1.881 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 9 7.891 1.337 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.196 -0.386 -10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.839 -0.948 -9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.731 -0.470 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.616 2.026 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.114 2.099 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.841 3.207 -9.417 1.00 0.00 H new ATOM 107 N HIS A 10 10.840 3.923 -7.744 1.00 0.00 N ATOM 108 CA HIS A 10 11.748 4.472 -6.751 1.00 0.00 C ATOM 109 C HIS A 10 11.071 4.468 -5.379 1.00 0.00 C ATOM 110 O HIS A 10 9.849 4.575 -5.286 1.00 0.00 O ATOM 111 CB HIS A 10 12.234 5.861 -7.169 1.00 0.00 C ATOM 112 CG HIS A 10 11.174 6.933 -7.088 1.00 0.00 C ATOM 113 ND1 HIS A 10 10.676 7.407 -5.887 1.00 0.00 N ATOM 114 CD2 HIS A 10 10.523 7.618 -8.072 1.00 0.00 C ATOM 115 CE1 HIS A 10 9.767 8.334 -6.148 1.00 0.00 C ATOM 116 NE2 HIS A 10 9.673 8.463 -7.503 1.00 0.00 N ATOM 0 H HIS A 10 10.154 4.585 -8.107 1.00 0.00 H new ATOM 0 HA HIS A 10 12.637 3.846 -6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.074 6.147 -6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.608 5.811 -8.192 1.00 0.00 H new ATOM 0 HD1 HIS A 10 10.961 7.095 -4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.674 7.494 -9.134 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.200 8.890 -5.417 1.00 0.00 H new ATOM 124 N TYR A 11 11.894 4.346 -4.348 1.00 0.00 N ATOM 125 CA TYR A 11 11.390 4.327 -2.986 1.00 0.00 C ATOM 126 C TYR A 11 10.552 5.574 -2.694 1.00 0.00 C ATOM 127 O TYR A 11 10.449 6.467 -3.534 1.00 0.00 O ATOM 128 CB TYR A 11 12.623 4.332 -2.080 1.00 0.00 C ATOM 129 CG TYR A 11 13.422 3.028 -2.110 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.815 1.838 -1.762 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.750 3.041 -2.483 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.567 0.611 -1.790 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.503 1.814 -2.511 1.00 0.00 C ATOM 134 CZ TYR A 11 14.874 0.659 -2.163 1.00 0.00 C ATOM 135 OH TYR A 11 15.584 -0.500 -2.189 1.00 0.00 O ATOM 0 H TYR A 11 12.907 4.259 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 11 10.755 3.456 -2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.276 5.153 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.308 4.529 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.776 1.828 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.225 3.972 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.104 -0.327 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.543 1.811 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 11 16.503 -0.314 -2.475 1.00 0.00 H new ATOM 145 N LYS A 12 9.975 5.594 -1.502 1.00 0.00 N ATOM 146 CA LYS A 12 9.150 6.717 -1.089 1.00 0.00 C ATOM 147 C LYS A 12 8.298 7.180 -2.272 1.00 0.00 C ATOM 148 O LYS A 12 8.507 8.269 -2.804 1.00 0.00 O ATOM 149 CB LYS A 12 10.015 7.824 -0.483 1.00 0.00 C ATOM 150 CG LYS A 12 10.457 7.460 0.936 1.00 0.00 C ATOM 151 CD LYS A 12 10.108 8.577 1.922 1.00 0.00 C ATOM 152 CE LYS A 12 10.890 9.852 1.604 1.00 0.00 C ATOM 153 NZ LYS A 12 11.409 10.466 2.847 1.00 0.00 N ATOM 0 H LYS A 12 10.062 4.851 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 12 8.462 6.414 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.891 7.990 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.455 8.759 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.974 6.533 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.532 7.279 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.038 8.782 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.332 8.253 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.717 9.620 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.246 10.560 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.937 11.331 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.615 10.705 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.040 9.794 3.329 1.00 0.00 H new ATOM 167 N GLN A 13 7.355 6.329 -2.650 1.00 0.00 N ATOM 168 CA GLN A 13 6.470 6.638 -3.761 1.00 0.00 C ATOM 169 C GLN A 13 5.101 5.990 -3.545 1.00 0.00 C ATOM 170 O GLN A 13 5.010 4.785 -3.318 1.00 0.00 O ATOM 171 CB GLN A 13 7.083 6.194 -5.090 1.00 0.00 C ATOM 172 CG GLN A 13 6.017 6.108 -6.184 1.00 0.00 C ATOM 173 CD GLN A 13 6.650 5.804 -7.544 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.816 5.462 -7.652 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.819 5.946 -8.572 1.00 0.00 N ATOM 0 H GLN A 13 7.184 5.426 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 13 6.336 7.719 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.860 6.897 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.562 5.223 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.295 5.331 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.468 7.048 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.854 6.236 -8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.146 5.765 -9.521 1.00 0.00 H new ATOM 184 N ILE A 14 4.070 6.819 -3.622 1.00 0.00 N ATOM 185 CA ILE A 14 2.710 6.342 -3.438 1.00 0.00 C ATOM 186 C ILE A 14 2.272 5.571 -4.685 1.00 0.00 C ATOM 187 O ILE A 14 2.316 6.100 -5.794 1.00 0.00 O ATOM 188 CB ILE A 14 1.781 7.501 -3.073 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.388 8.363 -1.965 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.387 6.991 -2.704 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.058 7.793 -0.584 1.00 0.00 C ATOM 0 H ILE A 14 4.149 7.818 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 14 2.659 5.648 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 14 1.669 8.138 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.469 8.416 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.008 9.382 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.254 7.835 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.040 6.455 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.460 6.319 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.501 8.425 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.977 7.764 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.461 6.783 -0.501 1.00 0.00 H new ATOM 203 N VAL A 15 1.859 4.332 -4.460 1.00 0.00 N ATOM 204 CA VAL A 15 1.413 3.483 -5.551 1.00 0.00 C ATOM 205 C VAL A 15 0.294 2.565 -5.053 1.00 0.00 C ATOM 206 O VAL A 15 0.077 2.443 -3.849 1.00 0.00 O ATOM 207 CB VAL A 15 2.600 2.715 -6.136 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.311 3.539 -7.211 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.575 2.292 -5.035 1.00 0.00 C ATOM 0 H VAL A 15 1.824 3.896 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 15 1.003 4.086 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 15 2.214 1.811 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.151 2.970 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.612 3.767 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.678 4.468 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.410 1.748 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.950 3.177 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.061 1.649 -4.321 1.00 0.00 H new ATOM 219 N TRP A 16 -0.386 1.944 -6.005 1.00 0.00 N ATOM 220 CA TRP A 16 -1.477 1.041 -5.678 1.00 0.00 C ATOM 221 C TRP A 16 -0.905 -0.374 -5.578 1.00 0.00 C ATOM 222 O TRP A 16 0.205 -0.633 -6.039 1.00 0.00 O ATOM 223 CB TRP A 16 -2.610 1.157 -6.700 1.00 0.00 C ATOM 224 CG TRP A 16 -3.451 2.427 -6.555 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.294 3.598 -7.187 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.596 2.605 -5.695 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.249 4.515 -6.798 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.066 3.892 -5.862 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.214 1.710 -4.804 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.174 4.399 -5.172 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.320 2.232 -4.123 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.805 3.525 -4.280 1.00 0.00 C ATOM 0 H TRP A 16 -0.203 2.048 -7.003 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.922 1.305 -4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.185 1.128 -7.703 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.262 0.289 -6.604 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.517 3.799 -7.910 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.339 5.473 -7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.863 0.699 -4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.523 5.410 -5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.832 1.585 -3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.665 3.854 -3.716 1.00 0.00 H new ATOM 243 N VAL A 17 -1.690 -1.253 -4.971 1.00 0.00 N ATOM 244 CA VAL A 17 -1.275 -2.636 -4.804 1.00 0.00 C ATOM 245 C VAL A 17 -2.367 -3.560 -5.347 1.00 0.00 C ATOM 246 O VAL A 17 -3.539 -3.408 -5.008 1.00 0.00 O ATOM 247 CB VAL A 17 -0.938 -2.907 -3.336 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.209 -3.124 -2.513 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.012 -4.099 -3.203 1.00 0.00 C ATOM 0 H VAL A 17 -2.610 -1.034 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.368 -2.835 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.429 -2.028 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.941 -3.315 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.835 -2.234 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.757 -3.979 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.236 -4.270 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.458 -4.988 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.937 -3.889 -3.741 1.00 0.00 H new ATOM 259 N LYS A 18 -1.942 -4.498 -6.181 1.00 0.00 N ATOM 260 CA LYS A 18 -2.869 -5.447 -6.775 1.00 0.00 C ATOM 261 C LYS A 18 -3.142 -6.576 -5.780 1.00 0.00 C ATOM 262 O LYS A 18 -2.214 -7.229 -5.306 1.00 0.00 O ATOM 263 CB LYS A 18 -2.345 -5.932 -8.128 1.00 0.00 C ATOM 264 CG LYS A 18 -3.222 -7.055 -8.684 1.00 0.00 C ATOM 265 CD LYS A 18 -4.462 -6.489 -9.380 1.00 0.00 C ATOM 266 CE LYS A 18 -5.029 -7.489 -10.389 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.328 -6.817 -11.673 1.00 0.00 N ATOM 0 H LYS A 18 -0.969 -4.621 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.825 -4.967 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.322 -5.101 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.320 -6.286 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.647 -7.655 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.526 -7.719 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.222 -6.247 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.206 -5.560 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.314 -8.295 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.936 -7.943 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.090 -7.328 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.629 -5.838 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.476 -6.812 -12.269 1.00 0.00 H new ATOM 281 N LEU A 19 -4.421 -6.772 -5.492 1.00 0.00 N ATOM 282 CA LEU A 19 -4.828 -7.812 -4.563 1.00 0.00 C ATOM 283 C LEU A 19 -5.753 -8.797 -5.279 1.00 0.00 C ATOM 284 O LEU A 19 -5.424 -9.974 -5.419 1.00 0.00 O ATOM 285 CB LEU A 19 -5.443 -7.194 -3.305 1.00 0.00 C ATOM 286 CG LEU A 19 -4.632 -6.081 -2.639 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.216 -5.720 -1.272 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.152 -6.459 -2.549 1.00 0.00 C ATOM 0 H LEU A 19 -5.189 -6.228 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.962 -8.379 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.425 -6.797 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.602 -7.988 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.699 -5.190 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.621 -4.926 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.244 -5.378 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.200 -6.598 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.598 -5.650 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.044 -7.370 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.758 -6.626 -3.551 1.00 0.00 H new ATOM 300 N GLY A 20 -6.893 -8.280 -5.715 1.00 0.00 N ATOM 301 CA GLY A 20 -7.868 -9.100 -6.413 1.00 0.00 C ATOM 302 C GLY A 20 -8.654 -8.269 -7.430 1.00 0.00 C ATOM 303 O GLY A 20 -8.678 -7.042 -7.349 1.00 0.00 O ATOM 0 H GLY A 20 -7.163 -7.303 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.361 -9.920 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.555 -9.546 -5.694 1.00 0.00 H new ATOM 307 N ASN A 21 -9.280 -8.972 -8.363 1.00 0.00 N ATOM 308 CA ASN A 21 -10.065 -8.315 -9.394 1.00 0.00 C ATOM 309 C ASN A 21 -10.997 -7.290 -8.744 1.00 0.00 C ATOM 310 O ASN A 21 -11.491 -7.509 -7.638 1.00 0.00 O ATOM 311 CB ASN A 21 -10.929 -9.324 -10.154 1.00 0.00 C ATOM 312 CG ASN A 21 -10.795 -9.130 -11.666 1.00 0.00 C ATOM 313 OD1 ASN A 21 -9.979 -8.363 -12.150 1.00 0.00 O ATOM 314 ND2 ASN A 21 -11.640 -9.865 -12.382 1.00 0.00 N ATOM 0 H ASN A 21 -9.259 -9.990 -8.426 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.376 -7.834 -10.088 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.632 -10.338 -9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.972 -9.209 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.630 -9.807 -13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.298 -10.487 -11.913 1.00 0.00 H new ATOM 321 N TYR A 22 -11.209 -6.195 -9.457 1.00 0.00 N ATOM 322 CA TYR A 22 -12.073 -5.135 -8.963 1.00 0.00 C ATOM 323 C TYR A 22 -11.797 -4.847 -7.487 1.00 0.00 C ATOM 324 O TYR A 22 -12.703 -4.913 -6.657 1.00 0.00 O ATOM 325 CB TYR A 22 -13.504 -5.656 -9.110 1.00 0.00 C ATOM 326 CG TYR A 22 -13.929 -5.907 -10.558 1.00 0.00 C ATOM 327 CD1 TYR A 22 -14.312 -4.850 -11.359 1.00 0.00 C ATOM 328 CD2 TYR A 22 -13.929 -7.191 -11.064 1.00 0.00 C ATOM 329 CE1 TYR A 22 -14.712 -5.087 -12.722 1.00 0.00 C ATOM 330 CE2 TYR A 22 -14.329 -7.428 -12.427 1.00 0.00 C ATOM 331 CZ TYR A 22 -14.701 -6.365 -13.189 1.00 0.00 C ATOM 332 OH TYR A 22 -15.079 -6.588 -14.476 1.00 0.00 O ATOM 0 H TYR A 22 -10.798 -6.018 -10.373 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.905 -4.212 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.601 -6.585 -8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.189 -4.938 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.312 -3.845 -10.963 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.629 -8.018 -10.438 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -15.014 -4.269 -13.359 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.333 -8.428 -12.835 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.021 -7.546 -14.673 1.00 0.00 H new ATOM 342 N ARG A 23 -10.541 -4.532 -7.202 1.00 0.00 N ATOM 343 CA ARG A 23 -10.135 -4.233 -5.840 1.00 0.00 C ATOM 344 C ARG A 23 -8.639 -3.916 -5.790 1.00 0.00 C ATOM 345 O ARG A 23 -7.817 -4.709 -6.246 1.00 0.00 O ATOM 346 CB ARG A 23 -10.431 -5.408 -4.906 1.00 0.00 C ATOM 347 CG ARG A 23 -11.676 -5.135 -4.059 1.00 0.00 C ATOM 348 CD ARG A 23 -11.464 -5.585 -2.612 1.00 0.00 C ATOM 349 NE ARG A 23 -11.430 -4.409 -1.716 1.00 0.00 N ATOM 350 CZ ARG A 23 -11.348 -4.484 -0.380 1.00 0.00 C ATOM 351 NH1 ARG A 23 -11.290 -5.680 0.221 1.00 0.00 N ATOM 352 NH2 ARG A 23 -11.322 -3.363 0.354 1.00 0.00 N ATOM 0 H ARG A 23 -9.792 -4.478 -7.892 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.706 -3.366 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.577 -6.315 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.575 -5.584 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.910 -4.071 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.532 -5.659 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.266 -6.259 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.531 -6.143 -2.529 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.472 -3.483 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.308 -6.533 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.228 -5.737 1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.365 -2.453 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.260 -3.420 1.370 1.00 0.00 H new ATOM 366 N TRP A 24 -8.331 -2.754 -5.232 1.00 0.00 N ATOM 367 CA TRP A 24 -6.948 -2.323 -5.116 1.00 0.00 C ATOM 368 C TRP A 24 -6.780 -1.632 -3.762 1.00 0.00 C ATOM 369 O TRP A 24 -7.743 -1.106 -3.205 1.00 0.00 O ATOM 370 CB TRP A 24 -6.552 -1.431 -6.295 1.00 0.00 C ATOM 371 CG TRP A 24 -6.880 -2.029 -7.665 1.00 0.00 C ATOM 372 CD1 TRP A 24 -8.075 -2.414 -8.132 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.946 -2.296 -8.733 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.981 -2.907 -9.418 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.645 -2.833 -9.794 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.557 -2.090 -8.799 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -6.039 -3.209 -10.999 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.966 -2.470 -10.010 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.656 -3.013 -11.088 1.00 0.00 C ATOM 0 H TRP A 24 -9.015 -2.098 -4.855 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.273 -3.178 -5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.060 -0.471 -6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.482 -1.232 -6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.996 -2.347 -7.573 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.750 -3.260 -9.987 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.990 -1.672 -7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.608 -3.628 -11.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.900 -2.332 -10.114 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.127 -3.282 -11.990 1.00 0.00 H new ATOM 390 N TRP A 25 -5.550 -1.656 -3.270 1.00 0.00 N ATOM 391 CA TRP A 25 -5.244 -1.038 -1.991 1.00 0.00 C ATOM 392 C TRP A 25 -4.056 -0.095 -2.193 1.00 0.00 C ATOM 393 O TRP A 25 -3.087 -0.448 -2.863 1.00 0.00 O ATOM 394 CB TRP A 25 -4.990 -2.098 -0.917 1.00 0.00 C ATOM 395 CG TRP A 25 -5.076 -1.567 0.515 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.111 -0.981 1.237 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.235 -1.596 1.375 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.561 -0.632 2.495 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.894 -1.018 2.580 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.529 -2.093 1.141 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.791 -0.883 3.647 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.413 -1.952 2.217 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.086 -1.373 3.437 1.00 0.00 C ATOM 0 H TRP A 25 -4.754 -2.094 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.093 -0.456 -1.631 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.714 -2.904 -1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.002 -2.530 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.107 -0.804 0.880 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.016 -0.175 3.227 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.818 -2.548 0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.500 -0.426 4.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.421 -2.319 2.090 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.827 -1.301 4.220 1.00 0.00 H new ATOM 414 N PRO A 26 -4.174 1.116 -1.586 1.00 0.00 N ATOM 415 CA PRO A 26 -3.121 2.112 -1.694 1.00 0.00 C ATOM 416 C PRO A 26 -1.928 1.746 -0.809 1.00 0.00 C ATOM 417 O PRO A 26 -2.099 1.168 0.263 1.00 0.00 O ATOM 418 CB PRO A 26 -3.778 3.423 -1.293 1.00 0.00 C ATOM 419 CG PRO A 26 -5.038 3.042 -0.533 1.00 0.00 C ATOM 420 CD PRO A 26 -5.307 1.568 -0.785 1.00 0.00 C ATOM 0 HA PRO A 26 -2.707 2.180 -2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.111 4.019 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.018 4.024 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.912 3.230 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.882 3.646 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.377 1.013 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.249 1.422 -1.314 1.00 0.00 H new ATOM 428 N ALA A 27 -0.745 2.098 -1.291 1.00 0.00 N ATOM 429 CA ALA A 27 0.477 1.813 -0.557 1.00 0.00 C ATOM 430 C ALA A 27 1.599 2.716 -1.075 1.00 0.00 C ATOM 431 O ALA A 27 1.457 3.352 -2.118 1.00 0.00 O ATOM 432 CB ALA A 27 0.817 0.327 -0.688 1.00 0.00 C ATOM 0 H ALA A 27 -0.606 2.578 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 27 0.346 2.025 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.733 0.114 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.001 -0.270 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.959 0.078 -1.740 1.00 0.00 H new ATOM 438 N GLU A 28 2.689 2.742 -0.322 1.00 0.00 N ATOM 439 CA GLU A 28 3.835 3.555 -0.691 1.00 0.00 C ATOM 440 C GLU A 28 5.124 2.741 -0.573 1.00 0.00 C ATOM 441 O GLU A 28 5.416 2.184 0.484 1.00 0.00 O ATOM 442 CB GLU A 28 3.906 4.822 0.164 1.00 0.00 C ATOM 443 CG GLU A 28 5.340 5.350 0.243 1.00 0.00 C ATOM 444 CD GLU A 28 6.037 4.855 1.512 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.330 4.730 2.536 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.260 4.612 1.429 1.00 0.00 O ATOM 0 H GLU A 28 2.803 2.213 0.542 1.00 0.00 H new ATOM 0 HA GLU A 28 3.718 3.863 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.256 5.588 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.537 4.609 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.900 5.025 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.331 6.440 0.230 1.00 0.00 H new ATOM 453 N ILE A 29 5.862 2.697 -1.673 1.00 0.00 N ATOM 454 CA ILE A 29 7.113 1.960 -1.706 1.00 0.00 C ATOM 455 C ILE A 29 8.045 2.495 -0.617 1.00 0.00 C ATOM 456 O ILE A 29 8.284 3.699 -0.537 1.00 0.00 O ATOM 457 CB ILE A 29 7.721 1.999 -3.109 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.783 1.356 -4.132 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.111 1.358 -3.123 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.317 1.534 -5.555 1.00 0.00 C ATOM 0 H ILE A 29 5.617 3.160 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 29 6.940 0.906 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 29 7.845 3.043 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.672 0.294 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.792 1.803 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.520 1.399 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.768 1.899 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.036 0.318 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.631 1.068 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.404 2.597 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.297 1.065 -5.637 1.00 0.00 H new ATOM 472 N CYS A 30 8.545 1.575 0.194 1.00 0.00 N ATOM 473 CA CYS A 30 9.445 1.940 1.275 1.00 0.00 C ATOM 474 C CYS A 30 10.819 1.336 0.981 1.00 0.00 C ATOM 475 O CYS A 30 10.956 0.499 0.089 1.00 0.00 O ATOM 476 CB CYS A 30 8.905 1.494 2.636 1.00 0.00 C ATOM 477 SG CYS A 30 8.959 2.890 3.818 1.00 0.00 S ATOM 0 H CYS A 30 8.344 0.577 0.125 1.00 0.00 H new ATOM 0 HA CYS A 30 9.530 3.025 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.881 1.135 2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.497 0.661 3.016 1.00 0.00 H new ATOM 0 HG CYS A 30 8.344 3.915 3.307 1.00 0.00 H new ATOM 483 N ASN A 31 11.803 1.783 1.747 1.00 0.00 N ATOM 484 CA ASN A 31 13.162 1.297 1.579 1.00 0.00 C ATOM 485 C ASN A 31 13.453 0.233 2.641 1.00 0.00 C ATOM 486 O ASN A 31 12.773 0.169 3.663 1.00 0.00 O ATOM 487 CB ASN A 31 14.178 2.428 1.753 1.00 0.00 C ATOM 488 CG ASN A 31 13.631 3.745 1.198 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.525 4.163 1.498 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.466 4.373 0.375 1.00 0.00 N ATOM 0 H ASN A 31 11.686 2.477 2.486 1.00 0.00 H new ATOM 0 HA ASN A 31 13.251 0.885 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.419 2.546 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.106 2.171 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.194 5.261 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.378 3.967 0.166 1.00 0.00 H new ATOM 497 N PRO A 32 14.492 -0.596 2.354 1.00 0.00 N ATOM 498 CA PRO A 32 14.882 -1.653 3.271 1.00 0.00 C ATOM 499 C PRO A 32 15.626 -1.083 4.481 1.00 0.00 C ATOM 500 O PRO A 32 15.495 -1.594 5.592 1.00 0.00 O ATOM 501 CB PRO A 32 15.734 -2.600 2.442 1.00 0.00 C ATOM 502 CG PRO A 32 16.175 -1.805 1.223 1.00 0.00 C ATOM 503 CD PRO A 32 15.321 -0.549 1.152 1.00 0.00 C ATOM 0 HA PRO A 32 14.026 -2.178 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.594 -2.951 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.165 -3.482 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.231 -1.545 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.057 -2.399 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.938 0.349 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.710 -0.536 0.250 1.00 0.00 H new ATOM 511 N ARG A 33 16.390 -0.031 4.223 1.00 0.00 N ATOM 512 CA ARG A 33 17.155 0.614 5.277 1.00 0.00 C ATOM 513 C ARG A 33 16.214 1.263 6.294 1.00 0.00 C ATOM 514 O ARG A 33 16.631 1.605 7.400 1.00 0.00 O ATOM 515 CB ARG A 33 18.090 1.681 4.704 1.00 0.00 C ATOM 516 CG ARG A 33 18.949 1.108 3.575 1.00 0.00 C ATOM 517 CD ARG A 33 18.301 1.356 2.212 1.00 0.00 C ATOM 518 NE ARG A 33 19.327 1.780 1.233 1.00 0.00 N ATOM 519 CZ ARG A 33 20.091 0.931 0.532 1.00 0.00 C ATOM 520 NH1 ARG A 33 19.950 -0.391 0.696 1.00 0.00 N ATOM 521 NH2 ARG A 33 20.997 1.405 -0.335 1.00 0.00 N ATOM 0 H ARG A 33 16.495 0.390 3.300 1.00 0.00 H new ATOM 0 HA ARG A 33 17.754 -0.152 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.504 2.520 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.733 2.069 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 33 19.939 1.564 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.087 0.037 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.808 0.448 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.532 2.123 2.300 1.00 0.00 H new ATOM 0 HE ARG A 33 19.461 2.780 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.260 -0.752 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.532 -1.036 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.105 2.411 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.579 0.759 -0.869 1.00 0.00 H new ATOM 535 N SER A 34 14.963 1.413 5.884 1.00 0.00 N ATOM 536 CA SER A 34 13.960 2.015 6.746 1.00 0.00 C ATOM 537 C SER A 34 13.207 0.925 7.512 1.00 0.00 C ATOM 538 O SER A 34 13.227 0.900 8.742 1.00 0.00 O ATOM 539 CB SER A 34 12.981 2.869 5.939 1.00 0.00 C ATOM 540 OG SER A 34 12.975 4.227 6.371 1.00 0.00 O ATOM 0 H SER A 34 14.621 1.128 4.966 1.00 0.00 H new ATOM 0 HA SER A 34 14.467 2.667 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.248 2.826 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.977 2.455 6.032 1.00 0.00 H new ATOM 0 HG SER A 34 12.339 4.740 5.830 1.00 0.00 H new ATOM 546 N VAL A 35 12.561 0.052 6.754 1.00 0.00 N ATOM 547 CA VAL A 35 11.803 -1.037 7.346 1.00 0.00 C ATOM 548 C VAL A 35 12.681 -1.770 8.362 1.00 0.00 C ATOM 549 O VAL A 35 13.907 -1.704 8.291 1.00 0.00 O ATOM 550 CB VAL A 35 11.262 -1.956 6.249 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.334 -1.192 5.302 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.405 -2.621 5.479 1.00 0.00 C ATOM 0 H VAL A 35 12.547 0.076 5.734 1.00 0.00 H new ATOM 0 HA VAL A 35 10.937 -0.651 7.883 1.00 0.00 H new ATOM 0 HB VAL A 35 10.678 -2.742 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.963 -1.868 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.493 -0.787 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.884 -0.376 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.994 -3.269 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.027 -1.854 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.009 -3.214 6.165 1.00 0.00 H new ATOM 562 N PRO A 36 12.001 -2.471 9.309 1.00 0.00 N ATOM 563 CA PRO A 36 12.706 -3.217 10.338 1.00 0.00 C ATOM 564 C PRO A 36 13.308 -4.503 9.768 1.00 0.00 C ATOM 565 O PRO A 36 12.759 -5.090 8.837 1.00 0.00 O ATOM 566 CB PRO A 36 11.668 -3.475 11.418 1.00 0.00 C ATOM 567 CG PRO A 36 10.316 -3.274 10.752 1.00 0.00 C ATOM 568 CD PRO A 36 10.549 -2.573 9.424 1.00 0.00 C ATOM 0 HA PRO A 36 13.557 -2.671 10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.761 -4.485 11.816 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.797 -2.789 12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.821 -4.233 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.662 -2.678 11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.125 -3.142 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.080 -1.589 9.408 1.00 0.00 H new ATOM 576 N LEU A 37 14.428 -4.903 10.351 1.00 0.00 N ATOM 577 CA LEU A 37 15.111 -6.109 9.913 1.00 0.00 C ATOM 578 C LEU A 37 14.077 -7.200 9.628 1.00 0.00 C ATOM 579 O LEU A 37 14.197 -7.934 8.648 1.00 0.00 O ATOM 580 CB LEU A 37 16.176 -6.522 10.931 1.00 0.00 C ATOM 581 CG LEU A 37 17.629 -6.306 10.506 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.961 -7.121 9.255 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.930 -4.818 10.318 1.00 0.00 C ATOM 0 H LEU A 37 14.880 -4.414 11.123 1.00 0.00 H new ATOM 0 HA LEU A 37 15.648 -5.926 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.002 -5.969 11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.039 -7.578 11.162 1.00 0.00 H new ATOM 0 HG LEU A 37 18.276 -6.666 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.000 -6.949 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.811 -8.181 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.309 -6.814 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.970 -4.692 10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.276 -4.409 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.759 -4.291 11.256 1.00 0.00 H new ATOM 595 N ASN A 38 13.084 -7.273 10.503 1.00 0.00 N ATOM 596 CA ASN A 38 12.030 -8.262 10.357 1.00 0.00 C ATOM 597 C ASN A 38 11.644 -8.376 8.881 1.00 0.00 C ATOM 598 O ASN A 38 11.553 -9.479 8.343 1.00 0.00 O ATOM 599 CB ASN A 38 10.781 -7.855 11.142 1.00 0.00 C ATOM 600 CG ASN A 38 9.612 -8.796 10.839 1.00 0.00 C ATOM 601 OD1 ASN A 38 9.193 -8.961 9.705 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.113 -9.401 11.913 1.00 0.00 N ATOM 0 H ASN A 38 12.988 -6.663 11.315 1.00 0.00 H new ATOM 0 HA ASN A 38 12.403 -9.212 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.997 -7.870 12.210 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.504 -6.832 10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.331 -10.049 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.512 -9.217 12.834 1.00 0.00 H new ATOM 609 N ILE A 39 11.428 -7.222 8.268 1.00 0.00 N ATOM 610 CA ILE A 39 11.054 -7.179 6.864 1.00 0.00 C ATOM 611 C ILE A 39 12.264 -7.556 6.007 1.00 0.00 C ATOM 612 O ILE A 39 12.188 -8.472 5.189 1.00 0.00 O ATOM 613 CB ILE A 39 10.450 -5.818 6.512 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.435 -5.378 7.568 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.845 -5.834 5.107 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.411 -6.483 7.839 1.00 0.00 C ATOM 0 H ILE A 39 11.505 -6.309 8.717 1.00 0.00 H new ATOM 0 HA ILE A 39 10.274 -7.911 6.654 1.00 0.00 H new ATOM 0 HB ILE A 39 11.252 -5.079 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.954 -5.123 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.922 -4.477 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.423 -4.855 4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.621 -6.071 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.060 -6.588 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.701 -6.144 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.877 -6.718 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.925 -7.375 8.198 1.00 0.00 H new ATOM 628 N GLN A 40 13.351 -6.830 6.223 1.00 0.00 N ATOM 629 CA GLN A 40 14.575 -7.077 5.480 1.00 0.00 C ATOM 630 C GLN A 40 14.829 -8.581 5.359 1.00 0.00 C ATOM 631 O GLN A 40 15.120 -9.080 4.273 1.00 0.00 O ATOM 632 CB GLN A 40 15.765 -6.371 6.134 1.00 0.00 C ATOM 633 CG GLN A 40 15.531 -4.862 6.213 1.00 0.00 C ATOM 634 CD GLN A 40 16.852 -4.110 6.386 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.855 -4.413 5.761 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.798 -3.116 7.268 1.00 0.00 N ATOM 0 H GLN A 40 13.410 -6.071 6.902 1.00 0.00 H new ATOM 0 HA GLN A 40 14.457 -6.667 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.924 -6.771 7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.671 -6.573 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.030 -4.520 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.868 -4.637 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.926 -2.915 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.629 -2.555 7.455 1.00 0.00 H new ATOM 645 N GLY A 41 14.708 -9.262 6.489 1.00 0.00 N ATOM 646 CA GLY A 41 14.921 -10.699 6.523 1.00 0.00 C ATOM 647 C GLY A 41 14.172 -11.391 5.383 1.00 0.00 C ATOM 648 O GLY A 41 14.635 -12.401 4.854 1.00 0.00 O ATOM 0 H GLY A 41 14.465 -8.845 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.987 -10.914 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.583 -11.098 7.480 1.00 0.00 H new ATOM 652 N LEU A 42 13.027 -10.821 5.037 1.00 0.00 N ATOM 653 CA LEU A 42 12.210 -11.370 3.969 1.00 0.00 C ATOM 654 C LEU A 42 13.079 -11.591 2.729 1.00 0.00 C ATOM 655 O LEU A 42 13.702 -10.656 2.229 1.00 0.00 O ATOM 656 CB LEU A 42 10.991 -10.481 3.715 1.00 0.00 C ATOM 657 CG LEU A 42 10.092 -10.214 4.924 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.222 -8.976 4.698 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.255 -11.448 5.268 1.00 0.00 C ATOM 0 H LEU A 42 12.646 -9.984 5.478 1.00 0.00 H new ATOM 0 HA LEU A 42 11.812 -12.343 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.339 -9.523 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.387 -10.941 2.933 1.00 0.00 H new ATOM 0 HG LEU A 42 10.729 -10.007 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.593 -8.809 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.860 -8.107 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.592 -9.129 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.625 -11.231 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.627 -11.710 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.916 -12.282 5.502 1.00 0.00 H new ATOM 671 N LYS A 43 13.092 -12.833 2.268 1.00 0.00 N ATOM 672 CA LYS A 43 13.875 -13.188 1.097 1.00 0.00 C ATOM 673 C LYS A 43 13.014 -13.018 -0.157 1.00 0.00 C ATOM 674 O LYS A 43 11.936 -13.601 -0.257 1.00 0.00 O ATOM 675 CB LYS A 43 14.465 -14.591 1.252 1.00 0.00 C ATOM 676 CG LYS A 43 15.784 -14.549 2.026 1.00 0.00 C ATOM 677 CD LYS A 43 16.083 -15.902 2.674 1.00 0.00 C ATOM 678 CE LYS A 43 17.556 -16.280 2.499 1.00 0.00 C ATOM 679 NZ LYS A 43 18.192 -16.509 3.815 1.00 0.00 N ATOM 0 H LYS A 43 12.573 -13.606 2.684 1.00 0.00 H new ATOM 0 HA LYS A 43 14.729 -12.518 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.754 -15.233 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.630 -15.031 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.597 -14.277 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.735 -13.777 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.837 -15.863 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.451 -16.670 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.637 -17.179 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.081 -15.486 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.191 -16.764 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.132 -15.642 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.701 -17.282 4.308 1.00 0.00 H new ATOM 693 N HIS A 44 13.523 -12.217 -1.081 1.00 0.00 N ATOM 694 CA HIS A 44 12.815 -11.963 -2.324 1.00 0.00 C ATOM 695 C HIS A 44 13.818 -11.614 -3.425 1.00 0.00 C ATOM 696 O HIS A 44 15.020 -11.541 -3.174 1.00 0.00 O ATOM 697 CB HIS A 44 11.748 -10.883 -2.130 1.00 0.00 C ATOM 698 CG HIS A 44 10.379 -11.425 -1.794 1.00 0.00 C ATOM 699 ND1 HIS A 44 9.959 -11.646 -0.494 1.00 0.00 N ATOM 700 CD2 HIS A 44 9.341 -11.787 -2.601 1.00 0.00 C ATOM 701 CE1 HIS A 44 8.723 -12.121 -0.528 1.00 0.00 C ATOM 702 NE2 HIS A 44 8.341 -12.207 -1.835 1.00 0.00 N ATOM 0 H HIS A 44 14.418 -11.735 -0.994 1.00 0.00 H new ATOM 0 HA HIS A 44 12.286 -12.864 -2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.067 -10.211 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.678 -10.288 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.334 -11.740 -3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 44 8.123 -12.392 0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.436 -12.539 -2.169 1.00 0.00 H new ATOM 710 N ASP A 45 13.287 -11.409 -4.621 1.00 0.00 N ATOM 711 CA ASP A 45 14.121 -11.069 -5.762 1.00 0.00 C ATOM 712 C ASP A 45 14.684 -9.659 -5.575 1.00 0.00 C ATOM 713 O ASP A 45 14.384 -8.993 -4.585 1.00 0.00 O ATOM 714 CB ASP A 45 13.313 -11.087 -7.060 1.00 0.00 C ATOM 715 CG ASP A 45 12.485 -12.354 -7.289 1.00 0.00 C ATOM 716 OD1 ASP A 45 13.067 -13.448 -7.131 1.00 0.00 O ATOM 717 OD2 ASP A 45 11.289 -12.198 -7.617 1.00 0.00 O ATOM 0 H ASP A 45 12.290 -11.472 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 45 14.921 -11.806 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.643 -10.227 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.998 -10.962 -7.899 1.00 0.00 H new ATOM 722 N LEU A 46 15.491 -9.245 -6.541 1.00 0.00 N ATOM 723 CA LEU A 46 16.098 -7.926 -6.496 1.00 0.00 C ATOM 724 C LEU A 46 15.021 -6.865 -6.729 1.00 0.00 C ATOM 725 O LEU A 46 14.667 -6.124 -5.814 1.00 0.00 O ATOM 726 CB LEU A 46 17.269 -7.841 -7.478 1.00 0.00 C ATOM 727 CG LEU A 46 18.627 -8.301 -6.944 1.00 0.00 C ATOM 728 CD1 LEU A 46 19.552 -8.721 -8.088 1.00 0.00 C ATOM 729 CD2 LEU A 46 19.261 -7.226 -6.059 1.00 0.00 C ATOM 0 H LEU A 46 15.739 -9.800 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 46 16.524 -7.736 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.025 -8.439 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.363 -6.808 -7.812 1.00 0.00 H new ATOM 0 HG LEU A 46 18.469 -9.180 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.510 -9.044 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.097 -9.543 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.708 -7.876 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.225 -7.578 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.405 -6.315 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.606 -7.018 -5.213 1.00 0.00 H new ATOM 741 N GLY A 47 14.531 -6.826 -7.959 1.00 0.00 N ATOM 742 CA GLY A 47 13.501 -5.868 -8.325 1.00 0.00 C ATOM 743 C GLY A 47 12.510 -5.664 -7.177 1.00 0.00 C ATOM 744 O GLY A 47 12.381 -4.560 -6.652 1.00 0.00 O ATOM 0 H GLY A 47 14.828 -7.442 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.962 -4.915 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.971 -6.219 -9.210 1.00 0.00 H new ATOM 748 N ASP A 48 11.834 -6.748 -6.822 1.00 0.00 N ATOM 749 CA ASP A 48 10.859 -6.702 -5.746 1.00 0.00 C ATOM 750 C ASP A 48 11.389 -5.812 -4.620 1.00 0.00 C ATOM 751 O ASP A 48 12.459 -6.069 -4.073 1.00 0.00 O ATOM 752 CB ASP A 48 10.609 -8.096 -5.169 1.00 0.00 C ATOM 753 CG ASP A 48 10.369 -9.193 -6.209 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.279 -8.833 -7.403 1.00 0.00 O ATOM 755 OD2 ASP A 48 10.281 -10.366 -5.786 1.00 0.00 O ATOM 0 H ASP A 48 11.943 -7.662 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 48 9.928 -6.308 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.465 -8.378 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.745 -8.049 -4.506 1.00 0.00 H new ATOM 760 N PHE A 49 10.614 -4.783 -4.308 1.00 0.00 N ATOM 761 CA PHE A 49 10.992 -3.854 -3.257 1.00 0.00 C ATOM 762 C PHE A 49 9.960 -3.854 -2.128 1.00 0.00 C ATOM 763 O PHE A 49 8.820 -4.272 -2.324 1.00 0.00 O ATOM 764 CB PHE A 49 11.041 -2.461 -3.888 1.00 0.00 C ATOM 765 CG PHE A 49 9.904 -2.184 -4.873 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.656 -1.903 -4.410 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.140 -2.218 -6.212 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.601 -1.646 -5.325 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.085 -1.961 -7.126 1.00 0.00 C ATOM 770 CZ PHE A 49 7.837 -1.681 -6.663 1.00 0.00 C ATOM 0 H PHE A 49 9.727 -4.573 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 49 11.954 -4.143 -2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.012 -1.713 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.993 -2.341 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.468 -1.875 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.131 -2.441 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.610 -1.423 -4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.273 -1.988 -8.189 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.034 -1.487 -7.358 1.00 0.00 H new ATOM 780 N PRO A 50 10.408 -3.366 -0.940 1.00 0.00 N ATOM 781 CA PRO A 50 9.536 -3.306 0.221 1.00 0.00 C ATOM 782 C PRO A 50 8.529 -2.161 0.092 1.00 0.00 C ATOM 783 O PRO A 50 8.904 -1.032 -0.219 1.00 0.00 O ATOM 784 CB PRO A 50 10.471 -3.143 1.408 1.00 0.00 C ATOM 785 CG PRO A 50 11.791 -2.652 0.834 1.00 0.00 C ATOM 786 CD PRO A 50 11.751 -2.861 -0.671 1.00 0.00 C ATOM 0 HA PRO A 50 8.924 -4.201 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.068 -2.430 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.602 -4.088 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.941 -1.598 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.625 -3.199 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.938 -1.929 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.513 -3.571 -0.992 1.00 0.00 H new ATOM 794 N VAL A 51 7.270 -2.493 0.336 1.00 0.00 N ATOM 795 CA VAL A 51 6.206 -1.506 0.251 1.00 0.00 C ATOM 796 C VAL A 51 5.333 -1.594 1.505 1.00 0.00 C ATOM 797 O VAL A 51 5.069 -2.685 2.006 1.00 0.00 O ATOM 798 CB VAL A 51 5.414 -1.702 -1.043 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.337 -1.659 -2.263 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.615 -3.006 -1.006 1.00 0.00 C ATOM 0 H VAL A 51 6.962 -3.431 0.592 1.00 0.00 H new ATOM 0 HA VAL A 51 6.621 -0.499 0.214 1.00 0.00 H new ATOM 0 HB VAL A 51 4.706 -0.878 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.749 -1.801 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.840 -0.693 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.080 -2.452 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.061 -3.120 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.297 -3.847 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.916 -2.981 -0.170 1.00 0.00 H new ATOM 810 N PHE A 52 4.911 -0.429 1.975 1.00 0.00 N ATOM 811 CA PHE A 52 4.073 -0.361 3.161 1.00 0.00 C ATOM 812 C PHE A 52 2.602 -0.179 2.783 1.00 0.00 C ATOM 813 O PHE A 52 2.249 0.770 2.085 1.00 0.00 O ATOM 814 CB PHE A 52 4.535 0.856 3.964 1.00 0.00 C ATOM 815 CG PHE A 52 3.775 1.060 5.277 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.843 0.118 6.255 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.032 2.183 5.464 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.138 0.307 7.473 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.326 2.372 6.682 1.00 0.00 C ATOM 820 CZ PHE A 52 2.394 1.430 7.661 1.00 0.00 C ATOM 0 H PHE A 52 5.133 0.474 1.557 1.00 0.00 H new ATOM 0 HA PHE A 52 4.161 -1.284 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.598 0.752 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.423 1.749 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.433 -0.774 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.979 2.931 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.193 -0.441 8.250 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.735 3.264 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.857 1.574 8.587 1.00 0.00 H new ATOM 830 N PHE A 53 1.783 -1.105 3.261 1.00 0.00 N ATOM 831 CA PHE A 53 0.358 -1.059 2.982 1.00 0.00 C ATOM 832 C PHE A 53 -0.382 -0.239 4.041 1.00 0.00 C ATOM 833 O PHE A 53 -0.386 -0.597 5.218 1.00 0.00 O ATOM 834 CB PHE A 53 -0.153 -2.501 3.022 1.00 0.00 C ATOM 835 CG PHE A 53 0.221 -3.327 1.790 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.526 -3.454 1.426 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.751 -3.936 1.059 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.873 -4.221 0.283 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.404 -4.704 -0.084 1.00 0.00 C ATOM 840 CZ PHE A 53 0.901 -4.830 -0.448 1.00 0.00 C ATOM 0 H PHE A 53 2.079 -1.891 3.839 1.00 0.00 H new ATOM 0 HA PHE A 53 0.184 -0.592 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.244 -2.992 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.238 -2.489 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.298 -2.971 2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.787 -3.835 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.909 -4.321 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.176 -5.188 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.165 -5.414 -1.317 1.00 0.00 H new ATOM 850 N PHE A 54 -0.991 0.846 3.585 1.00 0.00 N ATOM 851 CA PHE A 54 -1.732 1.719 4.479 1.00 0.00 C ATOM 852 C PHE A 54 -2.938 0.994 5.079 1.00 0.00 C ATOM 853 O PHE A 54 -3.339 -0.061 4.590 1.00 0.00 O ATOM 854 CB PHE A 54 -2.228 2.900 3.641 1.00 0.00 C ATOM 855 CG PHE A 54 -1.120 3.629 2.877 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.005 4.029 3.528 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.261 3.877 1.547 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.033 4.706 2.819 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.233 4.553 0.838 1.00 0.00 C ATOM 860 CZ PHE A 54 0.892 4.953 1.489 1.00 0.00 C ATOM 0 H PHE A 54 -0.986 1.140 2.608 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.091 2.042 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.971 2.541 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.732 3.611 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.117 3.832 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.155 3.560 1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.926 5.024 3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.345 4.749 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.674 5.467 0.950 1.00 0.00 H new ATOM 870 N GLY A 55 -3.484 1.589 6.130 1.00 0.00 N ATOM 871 CA GLY A 55 -4.636 1.013 6.802 1.00 0.00 C ATOM 872 C GLY A 55 -4.221 -0.162 7.690 1.00 0.00 C ATOM 873 O GLY A 55 -4.501 -0.169 8.887 1.00 0.00 O ATOM 0 H GLY A 55 -3.149 2.464 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.127 1.775 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.362 0.676 6.062 1.00 0.00 H new ATOM 877 N SER A 56 -3.561 -1.129 7.068 1.00 0.00 N ATOM 878 CA SER A 56 -3.106 -2.306 7.787 1.00 0.00 C ATOM 879 C SER A 56 -1.754 -2.027 8.446 1.00 0.00 C ATOM 880 O SER A 56 -1.565 -2.309 9.628 1.00 0.00 O ATOM 881 CB SER A 56 -3.002 -3.515 6.854 1.00 0.00 C ATOM 882 OG SER A 56 -1.959 -3.362 5.896 1.00 0.00 O ATOM 0 H SER A 56 -3.331 -1.121 6.074 1.00 0.00 H new ATOM 0 HA SER A 56 -3.838 -2.539 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.823 -4.414 7.444 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.951 -3.657 6.337 1.00 0.00 H new ATOM 0 HG SER A 56 -1.321 -4.100 5.987 1.00 0.00 H new ATOM 888 N HIS A 57 -0.847 -1.475 7.652 1.00 0.00 N ATOM 889 CA HIS A 57 0.482 -1.154 8.143 1.00 0.00 C ATOM 890 C HIS A 57 1.337 -2.423 8.178 1.00 0.00 C ATOM 891 O HIS A 57 1.629 -2.949 9.250 1.00 0.00 O ATOM 892 CB HIS A 57 0.405 -0.454 9.502 1.00 0.00 C ATOM 893 CG HIS A 57 -0.663 0.610 9.584 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.202 1.040 10.784 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.284 1.327 8.604 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.107 1.973 10.526 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.157 2.149 9.174 1.00 0.00 N ATOM 0 H HIS A 57 -1.007 -1.242 6.672 1.00 0.00 H new ATOM 0 HA HIS A 57 0.964 -0.451 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.220 -1.201 10.274 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.372 -0.002 9.722 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.097 1.241 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.701 2.501 11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.765 2.804 8.682 1.00 0.00 H new ATOM 905 N ASP A 58 1.713 -2.877 6.991 1.00 0.00 N ATOM 906 CA ASP A 58 2.528 -4.074 6.872 1.00 0.00 C ATOM 907 C ASP A 58 3.410 -3.963 5.627 1.00 0.00 C ATOM 908 O ASP A 58 2.971 -3.458 4.594 1.00 0.00 O ATOM 909 CB ASP A 58 1.655 -5.322 6.724 1.00 0.00 C ATOM 910 CG ASP A 58 0.342 -5.289 7.508 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.423 -5.125 8.744 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.714 -5.430 6.853 1.00 0.00 O ATOM 0 H ASP A 58 1.468 -2.437 6.104 1.00 0.00 H new ATOM 0 HA ASP A 58 3.132 -4.162 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.427 -5.464 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.231 -6.190 7.045 1.00 0.00 H new ATOM 917 N TYR A 59 4.637 -4.443 5.765 1.00 0.00 N ATOM 918 CA TYR A 59 5.584 -4.404 4.664 1.00 0.00 C ATOM 919 C TYR A 59 5.602 -5.734 3.909 1.00 0.00 C ATOM 920 O TYR A 59 5.431 -6.795 4.509 1.00 0.00 O ATOM 921 CB TYR A 59 6.958 -4.172 5.297 1.00 0.00 C ATOM 922 CG TYR A 59 7.025 -2.940 6.203 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.047 -1.677 5.649 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.063 -3.093 7.574 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.111 -0.518 6.501 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.127 -1.934 8.427 1.00 0.00 C ATOM 927 CZ TYR A 59 7.148 -0.704 7.848 1.00 0.00 C ATOM 928 OH TYR A 59 7.208 0.391 8.653 1.00 0.00 O ATOM 0 H TYR A 59 4.997 -4.861 6.623 1.00 0.00 H new ATOM 0 HA TYR A 59 5.314 -3.623 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.233 -5.053 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.699 -4.068 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.016 -1.557 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.045 -4.082 8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.129 0.476 6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.158 -2.040 9.501 1.00 0.00 H new ATOM 0 HH TYR A 59 7.228 0.107 9.591 1.00 0.00 H new ATOM 938 N TYR A 60 5.812 -5.635 2.604 1.00 0.00 N ATOM 939 CA TYR A 60 5.854 -6.818 1.761 1.00 0.00 C ATOM 940 C TYR A 60 6.740 -6.586 0.536 1.00 0.00 C ATOM 941 O TYR A 60 6.884 -5.454 0.075 1.00 0.00 O ATOM 942 CB TYR A 60 4.416 -7.057 1.298 1.00 0.00 C ATOM 943 CG TYR A 60 3.445 -7.395 2.431 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.645 -8.526 3.196 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.370 -6.569 2.687 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.731 -8.844 4.263 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.456 -6.887 3.754 1.00 0.00 C ATOM 948 CZ TYR A 60 1.681 -8.009 4.489 1.00 0.00 C ATOM 949 OH TYR A 60 0.818 -8.309 5.496 1.00 0.00 O ATOM 0 H TYR A 60 5.955 -4.754 2.110 1.00 0.00 H new ATOM 0 HA TYR A 60 6.263 -7.667 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.059 -6.166 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.409 -7.871 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.486 -9.172 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.214 -5.684 2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.876 -9.725 4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.611 -6.249 3.966 1.00 0.00 H new ATOM 0 HH TYR A 60 0.118 -7.624 5.542 1.00 0.00 H new ATOM 959 N TRP A 61 7.311 -7.675 0.043 1.00 0.00 N ATOM 960 CA TRP A 61 8.180 -7.604 -1.120 1.00 0.00 C ATOM 961 C TRP A 61 7.367 -8.034 -2.343 1.00 0.00 C ATOM 962 O TRP A 61 7.102 -9.220 -2.531 1.00 0.00 O ATOM 963 CB TRP A 61 9.441 -8.446 -0.914 1.00 0.00 C ATOM 964 CG TRP A 61 10.357 -7.933 0.199 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.255 -8.149 1.517 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.527 -7.103 0.035 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.268 -7.522 2.213 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.067 -6.866 1.283 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.109 -6.571 -1.128 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.215 -6.092 1.487 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.256 -5.799 -0.908 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.812 -5.551 0.342 1.00 0.00 C ATOM 0 H TRP A 61 7.189 -8.612 0.428 1.00 0.00 H new ATOM 0 HA TRP A 61 8.533 -6.585 -1.277 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.148 -9.471 -0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.002 -8.475 -1.848 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.477 -8.740 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.405 -7.537 3.224 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.703 -6.744 -2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.619 -5.921 2.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.743 -5.366 -1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.701 -4.944 0.429 1.00 0.00 H new ATOM 983 N VAL A 62 6.995 -7.046 -3.143 1.00 0.00 N ATOM 984 CA VAL A 62 6.219 -7.306 -4.343 1.00 0.00 C ATOM 985 C VAL A 62 6.968 -6.759 -5.559 1.00 0.00 C ATOM 986 O VAL A 62 7.494 -5.648 -5.520 1.00 0.00 O ATOM 987 CB VAL A 62 4.813 -6.721 -4.194 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.108 -7.295 -2.962 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.858 -5.193 -4.138 1.00 0.00 C ATOM 0 H VAL A 62 7.217 -6.063 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 62 6.096 -8.379 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 62 4.236 -7.007 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.111 -6.863 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.027 -8.378 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.683 -7.054 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.846 -4.803 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.460 -4.878 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.301 -4.808 -5.057 1.00 0.00 H new ATOM 999 N HIS A 63 6.993 -7.564 -6.611 1.00 0.00 N ATOM 1000 CA HIS A 63 7.669 -7.174 -7.837 1.00 0.00 C ATOM 1001 C HIS A 63 7.071 -5.867 -8.359 1.00 0.00 C ATOM 1002 O HIS A 63 6.255 -5.240 -7.685 1.00 0.00 O ATOM 1003 CB HIS A 63 7.618 -8.303 -8.868 1.00 0.00 C ATOM 1004 CG HIS A 63 6.228 -8.825 -9.140 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.613 -9.773 -8.341 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.339 -8.520 -10.129 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.410 -10.021 -8.837 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.242 -9.244 -9.945 1.00 0.00 N ATOM 0 H HIS A 63 6.556 -8.485 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 63 8.725 -6.994 -7.633 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.050 -7.947 -9.803 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.243 -9.126 -8.521 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.017 -10.207 -7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.501 -7.810 -10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.689 -10.717 -8.434 1.00 0.00 H new ATOM 1016 N GLN A 64 7.499 -5.494 -9.556 1.00 0.00 N ATOM 1017 CA GLN A 64 7.016 -4.272 -10.177 1.00 0.00 C ATOM 1018 C GLN A 64 6.062 -4.602 -11.326 1.00 0.00 C ATOM 1019 O GLN A 64 6.169 -5.662 -11.942 1.00 0.00 O ATOM 1020 CB GLN A 64 8.180 -3.406 -10.662 1.00 0.00 C ATOM 1021 CG GLN A 64 8.951 -4.103 -11.785 1.00 0.00 C ATOM 1022 CD GLN A 64 9.575 -3.082 -12.739 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.501 -1.881 -12.537 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.190 -3.624 -13.786 1.00 0.00 N ATOM 0 H GLN A 64 8.175 -6.017 -10.113 1.00 0.00 H new ATOM 0 HA GLN A 64 6.468 -3.699 -9.429 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.802 -2.447 -11.016 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.853 -3.196 -9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.732 -4.732 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.280 -4.760 -12.338 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.215 -4.638 -13.894 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.637 -3.026 -14.481 1.00 0.00 H new ATOM 1033 N GLY A 65 5.150 -3.675 -11.581 1.00 0.00 N ATOM 1034 CA GLY A 65 4.178 -3.855 -12.645 1.00 0.00 C ATOM 1035 C GLY A 65 2.773 -4.061 -12.076 1.00 0.00 C ATOM 1036 O GLY A 65 1.780 -3.793 -12.750 1.00 0.00 O ATOM 0 H GLY A 65 5.064 -2.797 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.185 -2.984 -13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.457 -4.714 -13.255 1.00 0.00 H new ATOM 1040 N ARG A 66 2.734 -4.536 -10.839 1.00 0.00 N ATOM 1041 CA ARG A 66 1.467 -4.781 -10.171 1.00 0.00 C ATOM 1042 C ARG A 66 1.012 -3.528 -9.420 1.00 0.00 C ATOM 1043 O ARG A 66 -0.141 -3.436 -9.001 1.00 0.00 O ATOM 1044 CB ARG A 66 1.581 -5.945 -9.185 1.00 0.00 C ATOM 1045 CG ARG A 66 1.857 -7.260 -9.918 1.00 0.00 C ATOM 1046 CD ARG A 66 1.344 -8.455 -9.112 1.00 0.00 C ATOM 1047 NE ARG A 66 0.394 -9.245 -9.927 1.00 0.00 N ATOM 1048 CZ ARG A 66 -0.374 -10.229 -9.441 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.310 -10.551 -8.142 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -1.207 -10.892 -10.255 1.00 0.00 N ATOM 0 H ARG A 66 3.560 -4.758 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 66 0.733 -5.037 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.382 -5.746 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.659 -6.031 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.376 -7.243 -10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.928 -7.366 -10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.180 -9.082 -8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.854 -8.107 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 66 0.320 -9.027 -10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.324 -10.047 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.895 -11.300 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.256 -10.647 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.792 -11.641 -9.886 1.00 0.00 H new ATOM 1064 N VAL A 67 1.941 -2.595 -9.273 1.00 0.00 N ATOM 1065 CA VAL A 67 1.649 -1.351 -8.581 1.00 0.00 C ATOM 1066 C VAL A 67 1.404 -0.245 -9.608 1.00 0.00 C ATOM 1067 O VAL A 67 2.073 -0.191 -10.639 1.00 0.00 O ATOM 1068 CB VAL A 67 2.778 -1.019 -7.603 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.395 -2.295 -7.025 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.844 -0.149 -8.272 1.00 0.00 C ATOM 0 H VAL A 67 2.896 -2.675 -9.621 1.00 0.00 H new ATOM 0 HA VAL A 67 0.740 -1.449 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 67 2.350 -0.450 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.195 -2.031 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.629 -2.862 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.801 -2.902 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.635 0.073 -7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.266 -0.681 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.392 0.782 -8.613 1.00 0.00 H new ATOM 1080 N PHE A 68 0.442 0.610 -9.292 1.00 0.00 N ATOM 1081 CA PHE A 68 0.100 1.712 -10.175 1.00 0.00 C ATOM 1082 C PHE A 68 0.452 3.057 -9.536 1.00 0.00 C ATOM 1083 O PHE A 68 0.444 3.188 -8.313 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.411 1.649 -10.404 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.810 1.151 -11.795 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.806 -0.181 -12.067 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.169 2.041 -12.759 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.176 -0.644 -13.357 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.539 1.578 -14.049 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.535 0.246 -14.321 1.00 0.00 C ATOM 0 H PHE A 68 -0.111 0.562 -8.436 1.00 0.00 H new ATOM 0 HA PHE A 68 0.657 1.627 -11.108 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.855 0.994 -9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.833 2.642 -10.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.521 -0.887 -11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.173 3.099 -12.543 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.172 -1.702 -13.573 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.824 2.284 -14.815 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.817 -0.106 -15.303 1.00 0.00 H new ATOM 1100 N PRO A 69 0.759 4.048 -10.415 1.00 0.00 N ATOM 1101 CA PRO A 69 1.113 5.378 -9.949 1.00 0.00 C ATOM 1102 C PRO A 69 -0.125 6.139 -9.471 1.00 0.00 C ATOM 1103 O PRO A 69 -1.089 6.297 -10.219 1.00 0.00 O ATOM 1104 CB PRO A 69 1.797 6.041 -11.133 1.00 0.00 C ATOM 1105 CG PRO A 69 1.389 5.234 -12.355 1.00 0.00 C ATOM 1106 CD PRO A 69 0.779 3.929 -11.870 1.00 0.00 C ATOM 0 HA PRO A 69 1.775 5.358 -9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.487 7.081 -11.231 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.880 6.041 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.671 5.790 -12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.254 5.039 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.225 3.789 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.372 3.072 -12.189 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.059 6.590 -8.227 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.163 7.331 -7.640 1.00 0.00 C ATOM 1116 C TYR A 70 -1.029 8.829 -7.921 1.00 0.00 C ATOM 1117 O TYR A 70 0.025 9.417 -7.684 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.073 7.097 -6.131 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.061 7.930 -5.312 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.855 9.285 -5.153 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.158 7.326 -4.732 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.785 10.069 -4.382 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.088 8.110 -3.961 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.856 9.443 -3.824 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.734 10.183 -3.096 1.00 0.00 O ATOM 0 H TYR A 70 0.742 6.457 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.113 6.999 -8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.247 6.041 -5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.060 7.323 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.996 9.758 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.319 6.265 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.635 11.130 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.950 7.650 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.449 9.604 -2.759 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.113 9.404 -8.422 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.130 10.822 -8.738 1.00 0.00 C ATOM 1137 C VAL A 71 -2.892 11.574 -7.645 1.00 0.00 C ATOM 1138 O VAL A 71 -3.375 10.967 -6.690 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.716 11.040 -10.134 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -1.706 10.660 -11.218 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -4.024 10.264 -10.307 1.00 0.00 C ATOM 0 H VAL A 71 -2.986 8.913 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.116 11.221 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.939 12.101 -10.241 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.148 10.824 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.812 11.275 -11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.437 9.609 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.420 10.436 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.836 9.199 -10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.749 10.603 -9.567 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.976 12.884 -7.822 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.672 13.726 -6.863 1.00 0.00 C ATOM 1153 C GLU A 72 -4.788 14.509 -7.556 1.00 0.00 C ATOM 1154 O GLU A 72 -5.967 14.209 -7.374 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.698 14.670 -6.154 1.00 0.00 C ATOM 1156 CG GLU A 72 -3.124 14.910 -4.705 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.423 15.716 -4.641 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.413 16.850 -5.167 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -5.396 15.180 -4.068 1.00 0.00 O ATOM 0 H GLU A 72 -2.574 13.384 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.122 13.085 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.694 14.246 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.655 15.620 -6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.260 13.954 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.335 15.442 -4.174 1.00 0.00 H new ATOM 1166 N GLY A 73 -4.378 15.499 -8.335 1.00 0.00 N ATOM 1167 CA GLY A 73 -5.329 16.328 -9.056 1.00 0.00 C ATOM 1168 C GLY A 73 -5.475 15.860 -10.506 1.00 0.00 C ATOM 1169 O GLY A 73 -4.739 16.309 -11.384 1.00 0.00 O ATOM 0 H GLY A 73 -3.399 15.746 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.298 16.292 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.999 17.367 -9.037 1.00 0.00 H new ATOM 1173 N ASP A 74 -6.430 14.965 -10.712 1.00 0.00 N ATOM 1174 CA ASP A 74 -6.682 14.432 -12.040 1.00 0.00 C ATOM 1175 C ASP A 74 -7.817 13.409 -11.967 1.00 0.00 C ATOM 1176 O ASP A 74 -8.650 13.336 -12.869 1.00 0.00 O ATOM 1177 CB ASP A 74 -5.443 13.726 -12.594 1.00 0.00 C ATOM 1178 CG ASP A 74 -5.480 13.438 -14.096 1.00 0.00 C ATOM 1179 OD1 ASP A 74 -6.600 13.468 -14.652 1.00 0.00 O ATOM 1180 OD2 ASP A 74 -4.389 13.194 -14.655 1.00 0.00 O ATOM 0 H ASP A 74 -7.039 14.596 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.945 15.264 -12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.568 14.338 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.312 12.784 -12.062 1.00 0.00 H new ATOM 1185 N LYS A 75 -7.813 12.644 -10.886 1.00 0.00 N ATOM 1186 CA LYS A 75 -8.832 11.628 -10.684 1.00 0.00 C ATOM 1187 C LYS A 75 -9.255 11.622 -9.213 1.00 0.00 C ATOM 1188 O LYS A 75 -8.466 11.969 -8.335 1.00 0.00 O ATOM 1189 CB LYS A 75 -8.342 10.270 -11.189 1.00 0.00 C ATOM 1190 CG LYS A 75 -9.519 9.373 -11.579 1.00 0.00 C ATOM 1191 CD LYS A 75 -9.119 8.394 -12.684 1.00 0.00 C ATOM 1192 CE LYS A 75 -10.289 8.134 -13.635 1.00 0.00 C ATOM 1193 NZ LYS A 75 -10.885 6.805 -13.372 1.00 0.00 N ATOM 0 H LYS A 75 -7.120 12.707 -10.140 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.721 11.858 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.688 10.412 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.749 9.782 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.864 8.820 -10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.353 9.988 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.274 8.796 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.790 7.454 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.045 8.909 -13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.945 8.187 -14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.678 6.644 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.165 6.068 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.232 6.768 -12.392 1.00 0.00 H new ATOM 1207 N SER A 76 -10.498 11.222 -8.990 1.00 0.00 N ATOM 1208 CA SER A 76 -11.035 11.166 -7.641 1.00 0.00 C ATOM 1209 C SER A 76 -10.133 10.304 -6.754 1.00 0.00 C ATOM 1210 O SER A 76 -9.388 9.463 -7.253 1.00 0.00 O ATOM 1211 CB SER A 76 -12.463 10.616 -7.639 1.00 0.00 C ATOM 1212 OG SER A 76 -13.403 11.575 -7.162 1.00 0.00 O ATOM 0 H SER A 76 -11.149 10.934 -9.721 1.00 0.00 H new ATOM 0 HA SER A 76 -11.064 12.180 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.736 10.312 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.507 9.723 -7.015 1.00 0.00 H new ATOM 0 HG SER A 76 -14.303 11.187 -7.178 1.00 0.00 H new ATOM 1218 N PHE A 77 -10.231 10.544 -5.455 1.00 0.00 N ATOM 1219 CA PHE A 77 -9.433 9.801 -4.495 1.00 0.00 C ATOM 1220 C PHE A 77 -9.647 8.294 -4.654 1.00 0.00 C ATOM 1221 O PHE A 77 -8.685 7.532 -4.732 1.00 0.00 O ATOM 1222 CB PHE A 77 -9.901 10.226 -3.101 1.00 0.00 C ATOM 1223 CG PHE A 77 -9.621 11.694 -2.772 1.00 0.00 C ATOM 1224 CD1 PHE A 77 -8.340 12.135 -2.664 1.00 0.00 C ATOM 1225 CD2 PHE A 77 -10.656 12.557 -2.587 1.00 0.00 C ATOM 1226 CE1 PHE A 77 -8.081 13.497 -2.359 1.00 0.00 C ATOM 1227 CE2 PHE A 77 -10.397 13.920 -2.281 1.00 0.00 C ATOM 1228 CZ PHE A 77 -9.115 14.361 -2.174 1.00 0.00 C ATOM 0 H PHE A 77 -10.851 11.242 -5.045 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.374 10.009 -4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.972 10.043 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.411 9.598 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.519 11.449 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -11.674 12.206 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.063 13.847 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.218 14.606 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.918 15.397 -1.942 1.00 0.00 H new ATOM 1238 N ALA A 78 -10.914 7.910 -4.698 1.00 0.00 N ATOM 1239 CA ALA A 78 -11.267 6.508 -4.846 1.00 0.00 C ATOM 1240 C ALA A 78 -12.631 6.399 -5.531 1.00 0.00 C ATOM 1241 O ALA A 78 -12.741 5.828 -6.615 1.00 0.00 O ATOM 1242 CB ALA A 78 -11.247 5.829 -3.476 1.00 0.00 C ATOM 0 H ALA A 78 -11.709 8.545 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.540 5.994 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.512 4.778 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.249 5.908 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.966 6.317 -2.818 1.00 0.00 H new ATOM 1248 N GLU A 79 -13.635 6.957 -4.871 1.00 0.00 N ATOM 1249 CA GLU A 79 -14.987 6.930 -5.403 1.00 0.00 C ATOM 1250 C GLU A 79 -15.651 8.298 -5.235 1.00 0.00 C ATOM 1251 O GLU A 79 -15.936 8.978 -6.219 1.00 0.00 O ATOM 1252 CB GLU A 79 -15.817 5.832 -4.735 1.00 0.00 C ATOM 1253 CG GLU A 79 -15.447 4.453 -5.286 1.00 0.00 C ATOM 1254 CD GLU A 79 -15.987 4.267 -6.705 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -17.180 4.582 -6.904 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -15.195 3.815 -7.559 1.00 0.00 O ATOM 0 H GLU A 79 -13.539 7.431 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.933 6.702 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.654 5.853 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.878 6.021 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.363 4.337 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.850 3.677 -4.635 1.00 0.00 H new ATOM 1263 N GLY A 80 -15.877 8.661 -3.981 1.00 0.00 N ATOM 1264 CA GLY A 80 -16.502 9.935 -3.672 1.00 0.00 C ATOM 1265 C GLY A 80 -16.330 10.286 -2.192 1.00 0.00 C ATOM 1266 O GLY A 80 -15.371 9.851 -1.556 1.00 0.00 O ATOM 0 H GLY A 80 -15.638 8.095 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.062 10.719 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.563 9.893 -3.918 1.00 0.00 H new ATOM 1270 N GLN A 81 -17.272 11.069 -1.689 1.00 0.00 N ATOM 1271 CA GLN A 81 -17.236 11.483 -0.297 1.00 0.00 C ATOM 1272 C GLN A 81 -18.140 10.583 0.549 1.00 0.00 C ATOM 1273 O GLN A 81 -19.095 10.001 0.037 1.00 0.00 O ATOM 1274 CB GLN A 81 -17.636 12.953 -0.151 1.00 0.00 C ATOM 1275 CG GLN A 81 -16.452 13.799 0.322 1.00 0.00 C ATOM 1276 CD GLN A 81 -15.636 14.312 -0.866 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -14.804 13.618 -1.427 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -15.919 15.564 -1.216 1.00 0.00 N ATOM 0 H GLN A 81 -18.065 11.428 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.213 11.381 0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.999 13.331 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.458 13.041 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.815 14.642 0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.814 13.205 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.627 16.089 -0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.428 15.999 -1.997 1.00 0.00 H new ATOM 1287 N THR A 82 -17.805 10.497 1.828 1.00 0.00 N ATOM 1288 CA THR A 82 -18.575 9.677 2.749 1.00 0.00 C ATOM 1289 C THR A 82 -19.046 8.396 2.057 1.00 0.00 C ATOM 1290 O THR A 82 -20.228 8.250 1.753 1.00 0.00 O ATOM 1291 CB THR A 82 -19.721 10.530 3.295 1.00 0.00 C ATOM 1292 OG1 THR A 82 -20.508 10.832 2.146 1.00 0.00 O ATOM 1293 CG2 THR A 82 -19.249 11.897 3.793 1.00 0.00 C ATOM 0 H THR A 82 -17.012 10.981 2.248 1.00 0.00 H new ATOM 0 HA THR A 82 -17.966 9.348 3.591 1.00 0.00 H new ATOM 0 HB THR A 82 -20.212 9.997 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.504 10.065 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 82 -20.102 12.461 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.522 11.761 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.787 12.444 2.971 1.00 0.00 H new ATOM 1301 N SER A 83 -18.096 7.502 1.829 1.00 0.00 N ATOM 1302 CA SER A 83 -18.399 6.238 1.178 1.00 0.00 C ATOM 1303 C SER A 83 -18.740 5.178 2.228 1.00 0.00 C ATOM 1304 O SER A 83 -19.828 4.606 2.206 1.00 0.00 O ATOM 1305 CB SER A 83 -17.228 5.770 0.312 1.00 0.00 C ATOM 1306 OG SER A 83 -17.148 6.492 -0.914 1.00 0.00 O ATOM 0 H SER A 83 -17.116 7.627 2.083 1.00 0.00 H new ATOM 0 HA SER A 83 -19.260 6.386 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.297 5.891 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 83 -17.337 4.706 0.100 1.00 0.00 H new ATOM 0 HG SER A 83 -16.387 6.165 -1.437 1.00 0.00 H new ATOM 1312 N ILE A 84 -17.788 4.948 3.121 1.00 0.00 N ATOM 1313 CA ILE A 84 -17.974 3.967 4.177 1.00 0.00 C ATOM 1314 C ILE A 84 -16.796 4.042 5.150 1.00 0.00 C ATOM 1315 O ILE A 84 -15.671 4.330 4.746 1.00 0.00 O ATOM 1316 CB ILE A 84 -18.193 2.575 3.581 1.00 0.00 C ATOM 1317 CG1 ILE A 84 -18.853 1.641 4.598 1.00 0.00 C ATOM 1318 CG2 ILE A 84 -16.884 1.998 3.039 1.00 0.00 C ATOM 1319 CD1 ILE A 84 -20.372 1.825 4.606 1.00 0.00 C ATOM 0 H ILE A 84 -16.886 5.424 3.135 1.00 0.00 H new ATOM 0 HA ILE A 84 -18.875 4.189 4.750 1.00 0.00 H new ATOM 0 HB ILE A 84 -18.877 2.669 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -18.610 0.606 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -18.454 1.840 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -17.068 1.008 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -16.492 2.653 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -16.158 1.921 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -20.816 1.150 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.612 2.855 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -20.771 1.602 3.616 1.00 0.00 H new ATOM 1331 N ASN A 85 -17.095 3.776 6.413 1.00 0.00 N ATOM 1332 CA ASN A 85 -16.075 3.810 7.447 1.00 0.00 C ATOM 1333 C ASN A 85 -15.493 2.406 7.629 1.00 0.00 C ATOM 1334 O ASN A 85 -16.039 1.597 8.377 1.00 0.00 O ATOM 1335 CB ASN A 85 -16.663 4.255 8.787 1.00 0.00 C ATOM 1336 CG ASN A 85 -15.575 4.817 9.704 1.00 0.00 C ATOM 1337 OD1 ASN A 85 -15.196 4.220 10.698 1.00 0.00 O ATOM 1338 ND2 ASN A 85 -15.095 5.994 9.316 1.00 0.00 N ATOM 0 H ASN A 85 -18.030 3.536 6.744 1.00 0.00 H new ATOM 0 HA ASN A 85 -15.306 4.518 7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.429 5.012 8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.152 3.410 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.365 6.452 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.457 6.440 8.473 1.00 0.00 H new ATOM 1345 N LYS A 86 -14.393 2.161 6.932 1.00 0.00 N ATOM 1346 CA LYS A 86 -13.732 0.870 7.007 1.00 0.00 C ATOM 1347 C LYS A 86 -12.220 1.068 6.879 1.00 0.00 C ATOM 1348 O LYS A 86 -11.752 2.188 6.681 1.00 0.00 O ATOM 1349 CB LYS A 86 -14.316 -0.092 5.971 1.00 0.00 C ATOM 1350 CG LYS A 86 -15.361 -1.013 6.605 1.00 0.00 C ATOM 1351 CD LYS A 86 -14.891 -2.469 6.589 1.00 0.00 C ATOM 1352 CE LYS A 86 -16.081 -3.429 6.636 1.00 0.00 C ATOM 1353 NZ LYS A 86 -15.747 -4.701 5.957 1.00 0.00 N ATOM 0 H LYS A 86 -13.943 2.835 6.313 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.912 0.405 7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.771 0.475 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.517 -0.690 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.552 -0.700 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.304 -0.926 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.304 -2.656 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.237 -2.653 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.358 -3.625 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.946 -2.970 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.565 -5.342 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.505 -4.511 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.936 -5.145 6.432 1.00 0.00 H new ATOM 1367 N THR A 87 -11.499 -0.037 6.997 1.00 0.00 N ATOM 1368 CA THR A 87 -10.050 0.001 6.897 1.00 0.00 C ATOM 1369 C THR A 87 -9.621 0.777 5.651 1.00 0.00 C ATOM 1370 O THR A 87 -8.716 1.608 5.713 1.00 0.00 O ATOM 1371 CB THR A 87 -9.536 -1.440 6.922 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.670 -1.833 8.285 1.00 0.00 O ATOM 1373 CG2 THR A 87 -8.032 -1.530 6.655 1.00 0.00 C ATOM 0 H THR A 87 -11.891 -0.964 7.161 1.00 0.00 H new ATOM 0 HA THR A 87 -9.610 0.533 7.740 1.00 0.00 H new ATOM 0 HB THR A 87 -10.073 -2.029 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.361 -2.757 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.719 -2.574 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.811 -1.112 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.493 -0.968 7.418 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.292 0.479 4.548 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.992 1.138 3.288 1.00 0.00 C ATOM 1383 C PHE A 88 -9.752 2.635 3.496 1.00 0.00 C ATOM 1384 O PHE A 88 -8.692 3.152 3.147 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.211 0.950 2.383 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.956 1.297 0.915 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.996 0.633 0.217 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.689 2.268 0.308 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.759 0.954 -1.146 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.452 2.590 -1.055 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.492 1.926 -1.753 1.00 0.00 C ATOM 0 H PHE A 88 -11.043 -0.210 4.501 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.090 0.710 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.543 -0.086 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.026 1.570 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.414 -0.138 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.452 2.795 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.997 0.427 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.034 3.362 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.312 2.170 -2.789 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.755 3.289 4.064 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.666 4.716 4.323 1.00 0.00 C ATOM 1403 C LYS A 89 -9.343 5.021 5.027 1.00 0.00 C ATOM 1404 O LYS A 89 -8.577 5.872 4.576 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.898 5.198 5.093 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.627 6.302 4.325 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.047 7.678 4.659 1.00 0.00 C ATOM 1408 CE LYS A 89 -12.934 8.796 4.107 1.00 0.00 C ATOM 1409 NZ LYS A 89 -12.230 10.096 4.174 1.00 0.00 N ATOM 0 H LYS A 89 -11.633 2.857 4.352 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.665 5.274 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.575 4.361 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.597 5.569 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.545 6.119 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.689 6.281 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.952 7.784 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.044 7.765 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.207 8.576 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.861 8.848 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.846 10.844 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.992 10.311 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.357 10.048 3.610 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.114 4.311 6.122 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.896 4.495 6.893 1.00 0.00 C ATOM 1425 C LYS A 90 -6.701 4.566 5.940 1.00 0.00 C ATOM 1426 O LYS A 90 -5.800 5.382 6.128 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.768 3.407 7.960 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.815 4.009 9.366 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.645 3.137 10.309 1.00 0.00 C ATOM 1430 CE LYS A 90 -7.811 1.980 10.862 1.00 0.00 C ATOM 1431 NZ LYS A 90 -8.455 0.683 10.555 1.00 0.00 N ATOM 0 H LYS A 90 -9.752 3.607 6.494 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.928 5.439 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.574 2.682 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.831 2.867 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.802 4.110 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.241 5.011 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.023 3.743 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.512 2.744 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.810 2.007 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.696 2.090 11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.973 -0.076 11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.455 0.717 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.390 0.496 9.534 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.731 3.699 4.938 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.661 3.653 3.956 1.00 0.00 C ATOM 1447 C ALA A 91 -5.746 4.888 3.058 1.00 0.00 C ATOM 1448 O ALA A 91 -4.789 5.654 2.958 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.751 2.347 3.163 1.00 0.00 C ATOM 0 H ALA A 91 -7.479 3.023 4.785 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.688 3.669 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.948 2.313 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.656 1.501 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.713 2.296 2.654 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.901 5.043 2.426 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.123 6.172 1.539 1.00 0.00 C ATOM 1457 C LEU A 92 -6.575 7.443 2.191 1.00 0.00 C ATOM 1458 O LEU A 92 -5.751 8.141 1.602 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.601 6.267 1.153 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.189 5.045 0.446 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.717 5.108 0.422 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.600 4.887 -0.957 1.00 0.00 C ATOM 0 H LEU A 92 -7.693 4.405 2.511 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.581 6.034 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.181 6.453 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.732 7.134 0.506 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.912 4.156 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.110 4.227 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.096 5.136 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.036 6.005 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.035 4.011 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.825 5.775 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.519 4.763 -0.886 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.054 7.705 3.398 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.622 8.880 4.136 1.00 0.00 C ATOM 1476 C GLU A 93 -5.097 8.900 4.255 1.00 0.00 C ATOM 1477 O GLU A 93 -4.442 9.800 3.730 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.280 8.933 5.516 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.786 9.177 5.396 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.287 10.080 6.525 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.658 11.143 6.722 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.287 9.689 7.164 1.00 0.00 O ATOM 0 H GLU A 93 -7.737 7.124 3.884 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.936 9.767 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.101 7.997 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.825 9.726 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.008 9.636 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.316 8.225 5.425 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.575 7.899 4.948 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.139 7.791 5.142 1.00 0.00 C ATOM 1491 C GLU A 94 -2.407 7.991 3.814 1.00 0.00 C ATOM 1492 O GLU A 94 -1.523 8.840 3.710 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.771 6.447 5.774 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.675 6.565 7.296 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.348 5.998 7.807 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.320 6.289 7.159 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.393 5.288 8.834 1.00 0.00 O ATOM 0 H GLU A 94 -5.121 7.155 5.382 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.825 8.577 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.520 5.700 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.819 6.100 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.765 7.611 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.505 6.031 7.759 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.803 7.196 2.831 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.196 7.276 1.513 1.00 0.00 C ATOM 1506 C ALA A 95 -2.060 8.744 1.107 1.00 0.00 C ATOM 1507 O ALA A 95 -1.020 9.157 0.596 1.00 0.00 O ATOM 1508 CB ALA A 95 -3.031 6.470 0.516 1.00 0.00 C ATOM 0 H ALA A 95 -3.537 6.493 2.921 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.196 6.843 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.576 6.530 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.072 5.428 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.041 6.877 0.475 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.126 9.493 1.349 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.138 10.907 1.014 1.00 0.00 C ATOM 1516 C ALA A 96 -2.022 11.618 1.781 1.00 0.00 C ATOM 1517 O ALA A 96 -1.127 12.208 1.177 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.519 11.492 1.319 1.00 0.00 C ATOM 0 H ALA A 96 -3.987 9.148 1.773 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.950 11.051 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.528 12.553 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.273 10.972 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.741 11.368 2.379 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.111 11.540 3.101 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.119 12.169 3.957 1.00 0.00 C ATOM 1526 C LYS A 97 0.274 11.943 3.366 1.00 0.00 C ATOM 1527 O LYS A 97 0.932 12.891 2.939 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.264 11.674 5.397 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.282 12.846 6.380 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.582 12.867 7.186 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.474 13.821 8.377 1.00 0.00 C ATOM 1532 NZ LYS A 97 -2.705 15.218 7.945 1.00 0.00 N ATOM 0 H LYS A 97 -2.855 11.051 3.599 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.278 13.247 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.184 11.097 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.439 11.004 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.431 12.770 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.173 13.784 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.407 13.174 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.811 11.862 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.203 13.545 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.488 13.733 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.628 15.852 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.994 15.484 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.656 15.301 7.531 1.00 0.00 H new ATOM 1546 N ARG A 98 0.683 10.683 3.361 1.00 0.00 N ATOM 1547 CA ARG A 98 1.986 10.321 2.831 1.00 0.00 C ATOM 1548 C ARG A 98 2.288 11.130 1.567 1.00 0.00 C ATOM 1549 O ARG A 98 3.257 11.886 1.526 1.00 0.00 O ATOM 1550 CB ARG A 98 2.052 8.829 2.501 1.00 0.00 C ATOM 1551 CG ARG A 98 2.111 7.987 3.777 1.00 0.00 C ATOM 1552 CD ARG A 98 3.547 7.869 4.290 1.00 0.00 C ATOM 1553 NE ARG A 98 3.589 6.993 5.482 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.706 6.430 5.962 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.880 6.647 5.354 1.00 0.00 N ATOM 1556 NH2 ARG A 98 4.649 5.649 7.049 1.00 0.00 N ATOM 0 H ARG A 98 0.134 9.900 3.716 1.00 0.00 H new ATOM 0 HA ARG A 98 2.729 10.545 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.179 8.544 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.930 8.627 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.483 8.439 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.709 6.993 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.189 7.464 3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.935 8.856 4.541 1.00 0.00 H new ATOM 0 HE ARG A 98 2.712 6.806 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.923 7.241 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.730 6.218 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.755 5.483 7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.499 5.220 7.414 1.00 0.00 H new ATOM 1570 N PHE A 99 1.439 10.943 0.567 1.00 0.00 N ATOM 1571 CA PHE A 99 1.602 11.645 -0.695 1.00 0.00 C ATOM 1572 C PHE A 99 1.886 13.131 -0.462 1.00 0.00 C ATOM 1573 O PHE A 99 2.647 13.745 -1.208 1.00 0.00 O ATOM 1574 CB PHE A 99 0.284 11.503 -1.459 1.00 0.00 C ATOM 1575 CG PHE A 99 0.343 12.015 -2.900 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.826 11.213 -3.887 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.087 13.271 -3.194 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.880 11.688 -5.224 1.00 0.00 C ATOM 1579 CE2 PHE A 99 -0.033 13.746 -4.531 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.450 12.945 -5.518 1.00 0.00 C ATOM 0 H PHE A 99 0.636 10.315 0.605 1.00 0.00 H new ATOM 0 HA PHE A 99 2.441 11.225 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.007 10.453 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.495 12.045 -0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.168 10.216 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.470 13.908 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.263 11.051 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.376 14.743 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.492 13.306 -6.535 1.00 0.00 H new ATOM 1590 N GLN A 100 1.259 13.665 0.575 1.00 0.00 N ATOM 1591 CA GLN A 100 1.434 15.067 0.915 1.00 0.00 C ATOM 1592 C GLN A 100 2.741 15.267 1.685 1.00 0.00 C ATOM 1593 O GLN A 100 3.380 16.311 1.569 1.00 0.00 O ATOM 1594 CB GLN A 100 0.241 15.590 1.717 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.080 15.121 1.103 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.934 16.312 0.662 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.536 17.124 -0.156 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.126 16.369 1.248 1.00 0.00 N ATOM 0 H GLN A 100 0.629 13.152 1.192 1.00 0.00 H new ATOM 0 HA GLN A 100 1.488 15.641 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.311 15.243 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.267 16.679 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.879 14.477 0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.631 14.523 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.396 15.655 1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.770 17.126 1.021 1.00 0.00 H new ATOM 1607 N GLU A 101 3.100 14.249 2.454 1.00 0.00 N ATOM 1608 CA GLU A 101 4.319 14.299 3.242 1.00 0.00 C ATOM 1609 C GLU A 101 5.544 14.164 2.335 1.00 0.00 C ATOM 1610 O GLU A 101 6.436 15.011 2.360 1.00 0.00 O ATOM 1611 CB GLU A 101 4.317 13.219 4.325 1.00 0.00 C ATOM 1612 CG GLU A 101 2.939 13.100 4.979 1.00 0.00 C ATOM 1613 CD GLU A 101 3.065 12.779 6.469 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.969 11.983 6.804 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.255 13.337 7.241 1.00 0.00 O ATOM 0 H GLU A 101 2.567 13.384 2.548 1.00 0.00 H new ATOM 0 HA GLU A 101 4.366 15.267 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.600 12.261 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.064 13.457 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.389 14.032 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.363 12.319 4.483 1.00 0.00 H new ATOM 1622 N LEU A 102 5.548 13.093 1.555 1.00 0.00 N ATOM 1623 CA LEU A 102 6.649 12.837 0.642 1.00 0.00 C ATOM 1624 C LEU A 102 7.033 14.138 -0.065 1.00 0.00 C ATOM 1625 O LEU A 102 8.199 14.530 -0.059 1.00 0.00 O ATOM 1626 CB LEU A 102 6.295 11.698 -0.317 1.00 0.00 C ATOM 1627 CG LEU A 102 6.729 10.296 0.118 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.154 9.946 1.491 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.360 9.255 -0.941 1.00 0.00 C ATOM 0 H LEU A 102 4.807 12.393 1.536 1.00 0.00 H new ATOM 0 HA LEU A 102 7.529 12.500 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.215 11.694 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.746 11.912 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 102 7.815 10.288 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.477 8.945 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.509 10.666 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.065 9.977 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.679 8.268 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.280 9.256 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.857 9.499 -1.880 1.00 0.00 H new ATOM 1641 N LYS A 103 6.031 14.771 -0.656 1.00 0.00 N ATOM 1642 CA LYS A 103 6.250 16.020 -1.366 1.00 0.00 C ATOM 1643 C LYS A 103 6.530 17.134 -0.355 1.00 0.00 C ATOM 1644 O LYS A 103 7.427 17.950 -0.557 1.00 0.00 O ATOM 1645 CB LYS A 103 5.076 16.319 -2.300 1.00 0.00 C ATOM 1646 CG LYS A 103 3.793 16.572 -1.505 1.00 0.00 C ATOM 1647 CD LYS A 103 2.560 16.466 -2.405 1.00 0.00 C ATOM 1648 CE LYS A 103 1.746 17.761 -2.375 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.495 18.858 -3.028 1.00 0.00 N ATOM 0 H LYS A 103 5.065 14.443 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 103 7.127 15.944 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.307 17.191 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.927 15.482 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.717 15.851 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.832 17.562 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.869 16.250 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.937 15.633 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.793 17.611 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.519 18.031 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.861 19.668 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.286 19.149 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.865 18.529 -3.943 1.00 0.00 H new ATOM 1663 N ALA A 104 5.744 17.132 0.712 1.00 0.00 N ATOM 1664 CA ALA A 104 5.896 18.132 1.755 1.00 0.00 C ATOM 1665 C ALA A 104 6.702 17.538 2.912 1.00 0.00 C ATOM 1666 O ALA A 104 6.157 17.273 3.982 1.00 0.00 O ATOM 1667 CB ALA A 104 4.516 18.622 2.198 1.00 0.00 C ATOM 0 H ALA A 104 5.000 16.454 0.876 1.00 0.00 H new ATOM 0 HA ALA A 104 6.444 18.996 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.630 19.372 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.996 19.062 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.938 17.782 2.582 1.00 0.00 H new ATOM 1673 N SER A 105 7.988 17.345 2.658 1.00 0.00 N ATOM 1674 CA SER A 105 8.875 16.787 3.665 1.00 0.00 C ATOM 1675 C SER A 105 9.293 17.876 4.655 1.00 0.00 C ATOM 1676 O SER A 105 8.902 17.842 5.821 1.00 0.00 O ATOM 1677 CB SER A 105 10.110 16.154 3.021 1.00 0.00 C ATOM 1678 OG SER A 105 10.239 14.775 3.357 1.00 0.00 O ATOM 0 H SER A 105 8.437 17.565 1.769 1.00 0.00 H new ATOM 0 HA SER A 105 8.336 16.005 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.048 16.259 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.002 16.691 3.343 1.00 0.00 H new ATOM 0 HG SER A 105 11.038 14.407 2.926 1.00 0.00 H new ATOM 1684 N GLY A 106 10.081 18.816 4.155 1.00 0.00 N ATOM 1685 CA GLY A 106 10.556 19.913 4.982 1.00 0.00 C ATOM 1686 C GLY A 106 9.400 20.564 5.745 1.00 0.00 C ATOM 1687 O GLY A 106 8.258 20.535 5.291 1.00 0.00 O ATOM 0 H GLY A 106 10.403 18.841 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.301 19.545 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.049 20.657 4.357 1.00 0.00 H new ATOM 1691 N PRO A 107 9.747 21.151 6.921 1.00 0.00 N ATOM 1692 CA PRO A 107 8.752 21.809 7.751 1.00 0.00 C ATOM 1693 C PRO A 107 8.348 23.159 7.157 1.00 0.00 C ATOM 1694 O PRO A 107 9.135 23.794 6.456 1.00 0.00 O ATOM 1695 CB PRO A 107 9.402 21.933 9.120 1.00 0.00 C ATOM 1696 CG PRO A 107 10.895 21.766 8.889 1.00 0.00 C ATOM 1697 CD PRO A 107 11.091 21.205 7.490 1.00 0.00 C ATOM 0 HA PRO A 107 7.820 21.247 7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.182 22.901 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.025 21.171 9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.406 22.723 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.323 21.094 9.633 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.747 21.842 6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.548 20.216 7.520 1.00 0.00 H new ATOM 1705 N SER A 108 7.122 23.560 7.458 1.00 0.00 N ATOM 1706 CA SER A 108 6.603 24.823 6.962 1.00 0.00 C ATOM 1707 C SER A 108 6.827 24.924 5.452 1.00 0.00 C ATOM 1708 O SER A 108 7.919 25.272 5.005 1.00 0.00 O ATOM 1709 CB SER A 108 7.260 26.006 7.677 1.00 0.00 C ATOM 1710 OG SER A 108 6.296 26.927 8.181 1.00 0.00 O ATOM 0 H SER A 108 6.472 23.032 8.040 1.00 0.00 H new ATOM 0 HA SER A 108 5.533 24.858 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.874 25.637 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 108 7.928 26.521 6.987 1.00 0.00 H new ATOM 0 HG SER A 108 6.755 27.667 8.632 1.00 0.00 H new ATOM 1716 N SER A 109 5.776 24.614 4.708 1.00 0.00 N ATOM 1717 CA SER A 109 5.845 24.665 3.258 1.00 0.00 C ATOM 1718 C SER A 109 4.434 24.734 2.669 1.00 0.00 C ATOM 1719 O SER A 109 3.580 23.911 2.996 1.00 0.00 O ATOM 1720 CB SER A 109 6.594 23.454 2.698 1.00 0.00 C ATOM 1721 OG SER A 109 5.752 22.310 2.588 1.00 0.00 O ATOM 0 H SER A 109 4.872 24.327 5.082 1.00 0.00 H new ATOM 0 HA SER A 109 6.396 25.562 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.000 23.701 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.440 23.221 3.344 1.00 0.00 H new ATOM 0 HG SER A 109 6.266 21.559 2.225 1.00 0.00 H new ATOM 1727 N GLY A 110 4.233 25.724 1.812 1.00 0.00 N ATOM 1728 CA GLY A 110 2.940 25.912 1.175 1.00 0.00 C ATOM 1729 C GLY A 110 1.873 26.294 2.203 1.00 0.00 C ATOM 1730 O GLY A 110 1.843 25.747 3.304 1.00 0.00 O ATOM 0 H GLY A 110 4.944 26.405 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 110 3.014 26.691 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 110 2.646 24.996 0.664 1.00 0.00 H new TER 1734 GLY A 110