USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 Single : A 1 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.9!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 12 THR OG1 : rot 15:sc= -1.53! USER MOD Single : A 16 SER OG : rot -109:sc= -0.215 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 34 ASN : amide:sc= -4.85! C(o=-4.8!,f=-9.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 40 SER OG : rot 46:sc= 0.793 USER MOD Single : A 42 ASN : amide:sc= -2.95! C(o=-2.9!,f=-7.1!) USER MOD Single : A 43 HIS : no HD1:sc= -18.1! C(o=-18!,f=-17!) USER MOD Single : A 44 SER OG : rot 45:sc= 0.168 USER MOD Single : A 48 ASN : amide:sc= -2.14! C(o=-2.1!,f=-1.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.574 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 64 THR OG1 : rot -104:sc= 0.0768 USER MOD Single : A 65 TYR OH : rot 175:sc= -0.259 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 69:sc= 0.0958 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 64:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 18.670 6.241 -8.882 1.00 0.00 N ATOM 2 CA ASN A 1 18.200 6.745 -7.559 1.00 0.00 C ATOM 3 C ASN A 1 16.967 5.960 -7.102 1.00 0.00 C ATOM 4 O ASN A 1 16.110 5.630 -7.897 1.00 0.00 O ATOM 5 CB ASN A 1 17.844 8.213 -7.798 1.00 0.00 C ATOM 6 CG ASN A 1 17.972 8.990 -6.487 1.00 0.00 C ATOM 7 OD1 ASN A 1 18.985 8.919 -5.820 1.00 0.00 O ATOM 8 ND2 ASN A 1 16.977 9.735 -6.086 1.00 0.00 N ATOM 0 H1 ASN A 1 19.507 6.781 -9.182 1.00 0.00 H new ATOM 0 H2 ASN A 1 18.918 5.234 -8.802 1.00 0.00 H new ATOM 0 H3 ASN A 1 17.913 6.356 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 1 18.955 6.631 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.505 8.640 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 1 16.827 8.294 -8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 1 17.050 10.257 -5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 1 16.127 9.795 -6.646 1.00 0.00 H new ATOM 17 N PRO A 2 16.923 5.690 -5.826 1.00 0.00 N ATOM 18 CA PRO A 2 15.785 4.935 -5.244 1.00 0.00 C ATOM 19 C PRO A 2 14.532 5.813 -5.193 1.00 0.00 C ATOM 20 O PRO A 2 14.581 6.998 -5.459 1.00 0.00 O ATOM 21 CB PRO A 2 16.269 4.590 -3.838 1.00 0.00 C ATOM 22 CG PRO A 2 17.290 5.633 -3.512 1.00 0.00 C ATOM 23 CD PRO A 2 17.919 6.057 -4.814 1.00 0.00 C ATOM 0 HA PRO A 2 15.512 4.053 -5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.447 4.606 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.702 3.590 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.826 6.484 -3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.043 5.236 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.126 7.127 -4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.867 5.547 -4.984 1.00 0.00 H new ATOM 31 N LEU A 3 13.407 5.242 -4.852 1.00 0.00 N ATOM 32 CA LEU A 3 12.153 6.047 -4.785 1.00 0.00 C ATOM 33 C LEU A 3 10.998 5.201 -4.240 1.00 0.00 C ATOM 34 O LEU A 3 9.886 5.260 -4.723 1.00 0.00 O ATOM 35 CB LEU A 3 11.882 6.493 -6.227 1.00 0.00 C ATOM 36 CG LEU A 3 11.270 5.345 -7.038 1.00 0.00 C ATOM 37 CD1 LEU A 3 11.349 5.680 -8.529 1.00 0.00 C ATOM 38 CD2 LEU A 3 12.042 4.052 -6.772 1.00 0.00 C ATOM 0 H LEU A 3 13.303 4.255 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 3 12.249 6.901 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.206 7.348 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.811 6.821 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 3 10.229 5.212 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.915 4.865 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.797 6.599 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.392 5.814 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.602 3.240 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.084 4.184 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.991 3.810 -5.711 1.00 0.00 H new ATOM 50 N ILE A 4 11.255 4.420 -3.228 1.00 0.00 N ATOM 51 CA ILE A 4 10.173 3.573 -2.645 1.00 0.00 C ATOM 52 C ILE A 4 9.074 4.454 -2.045 1.00 0.00 C ATOM 53 O ILE A 4 9.346 5.503 -1.496 1.00 0.00 O ATOM 54 CB ILE A 4 10.861 2.746 -1.547 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.408 1.453 -2.155 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.859 2.402 -0.433 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.247 0.522 -2.510 1.00 0.00 C ATOM 0 H ILE A 4 12.166 4.330 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 4 9.697 2.940 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 4 11.677 3.330 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.993 1.678 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.078 0.962 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.359 1.816 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.471 3.322 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.035 1.824 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.638 -0.399 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.680 0.287 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.594 1.013 -3.231 1.00 0.00 H new ATOM 69 N PRO A 5 7.867 3.974 -2.147 1.00 0.00 N ATOM 70 CA PRO A 5 6.715 4.706 -1.583 1.00 0.00 C ATOM 71 C PRO A 5 6.681 4.525 -0.064 1.00 0.00 C ATOM 72 O PRO A 5 7.359 3.680 0.488 1.00 0.00 O ATOM 73 CB PRO A 5 5.510 4.039 -2.234 1.00 0.00 C ATOM 74 CG PRO A 5 5.970 2.663 -2.599 1.00 0.00 C ATOM 75 CD PRO A 5 7.465 2.723 -2.800 1.00 0.00 C ATOM 0 HA PRO A 5 6.749 5.779 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.663 4.002 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.183 4.591 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.717 1.953 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.474 2.321 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.962 1.863 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.725 2.725 -3.859 1.00 0.00 H new ATOM 83 N ALA A 6 5.901 5.313 0.611 1.00 0.00 N ATOM 84 CA ALA A 6 5.817 5.200 2.092 1.00 0.00 C ATOM 85 C ALA A 6 4.842 4.087 2.487 1.00 0.00 C ATOM 86 O ALA A 6 4.882 3.575 3.587 1.00 0.00 O ATOM 87 CB ALA A 6 5.299 6.558 2.566 1.00 0.00 C ATOM 0 H ALA A 6 5.312 6.037 0.199 1.00 0.00 H new ATOM 0 HA ALA A 6 6.779 4.951 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.209 6.554 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.995 7.339 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.322 6.750 2.122 1.00 0.00 H new ATOM 93 N ILE A 7 3.959 3.720 1.601 1.00 0.00 N ATOM 94 CA ILE A 7 2.974 2.647 1.930 1.00 0.00 C ATOM 95 C ILE A 7 3.684 1.380 2.423 1.00 0.00 C ATOM 96 O ILE A 7 3.378 0.863 3.478 1.00 0.00 O ATOM 97 CB ILE A 7 2.202 2.379 0.627 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.528 1.005 0.702 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.150 2.406 -0.578 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.753 0.889 2.014 1.00 0.00 C ATOM 0 H ILE A 7 3.875 4.115 0.664 1.00 0.00 H new ATOM 0 HA ILE A 7 2.305 2.951 2.735 1.00 0.00 H new ATOM 0 HB ILE A 7 1.450 3.158 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.854 0.872 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.278 0.216 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.585 2.214 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.626 3.384 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.914 1.638 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.273 -0.088 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.439 1.003 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.007 1.669 2.058 1.00 0.00 H new ATOM 112 N TYR A 8 4.616 0.870 1.671 1.00 0.00 N ATOM 113 CA TYR A 8 5.326 -0.366 2.105 1.00 0.00 C ATOM 114 C TYR A 8 5.803 -0.225 3.550 1.00 0.00 C ATOM 115 O TYR A 8 5.958 -1.197 4.261 1.00 0.00 O ATOM 116 CB TYR A 8 6.511 -0.502 1.150 1.00 0.00 C ATOM 117 CG TYR A 8 5.997 -0.667 -0.261 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.824 -1.393 -0.501 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.692 -0.089 -1.329 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.346 -1.540 -1.807 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.214 -0.236 -2.636 1.00 0.00 C ATOM 122 CZ TYR A 8 5.041 -0.962 -2.876 1.00 0.00 C ATOM 123 OH TYR A 8 4.569 -1.106 -4.165 1.00 0.00 O ATOM 0 H TYR A 8 4.918 1.254 0.775 1.00 0.00 H new ATOM 0 HA TYR A 8 4.681 -1.244 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.149 0.379 1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.122 -1.360 1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.288 -1.840 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.597 0.471 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.441 -2.099 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.750 0.211 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 8 5.169 -0.643 -4.787 1.00 0.00 H new ATOM 133 N ILE A 9 6.027 0.979 3.996 1.00 0.00 N ATOM 134 CA ILE A 9 6.480 1.170 5.402 1.00 0.00 C ATOM 135 C ILE A 9 5.336 0.830 6.357 1.00 0.00 C ATOM 136 O ILE A 9 4.201 1.201 6.133 1.00 0.00 O ATOM 137 CB ILE A 9 6.857 2.647 5.510 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.925 2.978 4.463 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.408 2.934 6.908 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.342 4.443 4.603 1.00 0.00 C ATOM 0 H ILE A 9 5.917 1.835 3.452 1.00 0.00 H new ATOM 0 HA ILE A 9 7.321 0.527 5.661 1.00 0.00 H new ATOM 0 HB ILE A 9 5.973 3.261 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.791 2.329 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.537 2.794 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.677 3.988 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.649 2.698 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.292 2.321 7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.102 4.678 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.474 5.085 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.748 4.612 5.600 1.00 0.00 H new ATOM 152 N GLY A 10 5.617 0.114 7.409 1.00 0.00 N ATOM 153 CA GLY A 10 4.531 -0.256 8.356 1.00 0.00 C ATOM 154 C GLY A 10 3.393 -0.893 7.562 1.00 0.00 C ATOM 155 O GLY A 10 2.232 -0.746 7.888 1.00 0.00 O ATOM 0 H GLY A 10 6.546 -0.229 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.904 -0.952 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.175 0.626 8.887 1.00 0.00 H new ATOM 159 N ALA A 11 3.724 -1.595 6.513 1.00 0.00 N ATOM 160 CA ALA A 11 2.664 -2.240 5.680 1.00 0.00 C ATOM 161 C ALA A 11 2.888 -3.750 5.604 1.00 0.00 C ATOM 162 O ALA A 11 3.565 -4.329 6.429 1.00 0.00 O ATOM 163 CB ALA A 11 2.810 -1.608 4.297 1.00 0.00 C ATOM 0 H ALA A 11 4.681 -1.751 6.195 1.00 0.00 H new ATOM 0 HA ALA A 11 1.668 -2.091 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.064 -2.030 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.663 -0.531 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.807 -1.812 3.907 1.00 0.00 H new ATOM 169 N THR A 12 2.323 -4.393 4.618 1.00 0.00 N ATOM 170 CA THR A 12 2.507 -5.870 4.497 1.00 0.00 C ATOM 171 C THR A 12 2.347 -6.307 3.041 1.00 0.00 C ATOM 172 O THR A 12 1.254 -6.534 2.576 1.00 0.00 O ATOM 173 CB THR A 12 1.399 -6.478 5.358 1.00 0.00 C ATOM 174 OG1 THR A 12 1.737 -6.336 6.734 1.00 0.00 O ATOM 175 CG2 THR A 12 1.235 -7.962 5.011 1.00 0.00 C ATOM 0 H THR A 12 1.745 -3.964 3.895 1.00 0.00 H new ATOM 0 HA THR A 12 3.499 -6.188 4.818 1.00 0.00 H new ATOM 0 HB THR A 12 0.460 -5.961 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.468 -5.689 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.445 -8.394 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.972 -8.063 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.171 -8.486 5.203 1.00 0.00 H new ATOM 183 N VAL A 13 3.423 -6.434 2.317 1.00 0.00 N ATOM 184 CA VAL A 13 3.308 -6.861 0.892 1.00 0.00 C ATOM 185 C VAL A 13 3.413 -8.385 0.788 1.00 0.00 C ATOM 186 O VAL A 13 3.778 -9.058 1.732 1.00 0.00 O ATOM 187 CB VAL A 13 4.484 -6.188 0.177 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.598 -4.731 0.630 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.783 -6.924 0.519 1.00 0.00 C ATOM 0 H VAL A 13 4.373 -6.262 2.646 1.00 0.00 H new ATOM 0 HA VAL A 13 2.352 -6.578 0.452 1.00 0.00 H new ATOM 0 HB VAL A 13 4.315 -6.223 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.436 -4.256 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.677 -4.201 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.763 -4.697 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.618 -6.444 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.947 -6.891 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.709 -7.962 0.195 1.00 0.00 H new ATOM 199 N GLY A 14 3.099 -8.934 -0.354 1.00 0.00 N ATOM 200 CA GLY A 14 3.181 -10.413 -0.518 1.00 0.00 C ATOM 201 C GLY A 14 4.630 -10.814 -0.800 1.00 0.00 C ATOM 202 O GLY A 14 5.545 -10.056 -0.548 1.00 0.00 O ATOM 0 H GLY A 14 2.789 -8.422 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.824 -10.910 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.537 -10.735 -1.336 1.00 0.00 H new ATOM 206 N PRO A 15 4.789 -12.002 -1.317 1.00 0.00 N ATOM 207 CA PRO A 15 6.141 -12.518 -1.640 1.00 0.00 C ATOM 208 C PRO A 15 6.690 -11.830 -2.893 1.00 0.00 C ATOM 209 O PRO A 15 7.792 -11.320 -2.900 1.00 0.00 O ATOM 210 CB PRO A 15 5.904 -14.004 -1.896 1.00 0.00 C ATOM 211 CG PRO A 15 4.469 -14.106 -2.307 1.00 0.00 C ATOM 212 CD PRO A 15 3.734 -12.967 -1.646 1.00 0.00 C ATOM 0 HA PRO A 15 6.870 -12.337 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.565 -14.380 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.100 -14.594 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.374 -14.047 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.048 -15.064 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.990 -12.532 -2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.205 -13.299 -0.753 1.00 0.00 H new ATOM 220 N SER A 16 5.929 -11.811 -3.953 1.00 0.00 N ATOM 221 CA SER A 16 6.410 -11.155 -5.204 1.00 0.00 C ATOM 222 C SER A 16 6.686 -9.672 -4.949 1.00 0.00 C ATOM 223 O SER A 16 7.731 -9.156 -5.295 1.00 0.00 O ATOM 224 CB SER A 16 5.266 -11.324 -6.202 1.00 0.00 C ATOM 225 OG SER A 16 4.405 -10.195 -6.126 1.00 0.00 O ATOM 0 H SER A 16 4.996 -12.220 -4.008 1.00 0.00 H new ATOM 0 HA SER A 16 7.339 -11.592 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.662 -11.426 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.709 -12.235 -5.984 1.00 0.00 H new ATOM 0 HG SER A 16 3.558 -10.457 -5.708 1.00 0.00 H new ATOM 231 N VAL A 17 5.757 -8.982 -4.344 1.00 0.00 N ATOM 232 CA VAL A 17 5.967 -7.532 -4.067 1.00 0.00 C ATOM 233 C VAL A 17 7.204 -7.339 -3.188 1.00 0.00 C ATOM 234 O VAL A 17 8.042 -6.500 -3.453 1.00 0.00 O ATOM 235 CB VAL A 17 4.708 -7.083 -3.328 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.744 -5.567 -3.134 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.473 -7.462 -4.150 1.00 0.00 C ATOM 0 H VAL A 17 4.863 -9.359 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 17 6.130 -6.956 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 17 4.663 -7.573 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.846 -5.246 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.624 -5.296 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.788 -5.077 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.574 -7.142 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.518 -6.971 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.447 -8.543 -4.290 1.00 0.00 H new ATOM 247 N TRP A 18 7.328 -8.111 -2.142 1.00 0.00 N ATOM 248 CA TRP A 18 8.514 -7.970 -1.251 1.00 0.00 C ATOM 249 C TRP A 18 9.797 -7.985 -2.082 1.00 0.00 C ATOM 250 O TRP A 18 10.539 -7.022 -2.117 1.00 0.00 O ATOM 251 CB TRP A 18 8.463 -9.183 -0.322 1.00 0.00 C ATOM 252 CG TRP A 18 9.490 -9.029 0.752 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.676 -7.912 1.493 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.474 -9.997 1.218 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.712 -8.134 2.384 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.236 -9.405 2.253 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.776 -11.320 0.846 1.00 0.00 C ATOM 258 CZ2 TRP A 18 12.260 -10.100 2.897 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.807 -12.023 1.492 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.548 -11.413 2.515 1.00 0.00 C ATOM 0 H TRP A 18 6.660 -8.832 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 18 8.504 -7.033 -0.694 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.471 -9.276 0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.647 -10.096 -0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.109 -6.997 1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.047 -7.443 3.055 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.212 -11.798 0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.826 -9.627 3.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 12.030 -13.038 1.199 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.340 -11.958 3.007 1.00 0.00 H new ATOM 271 N ALA A 19 10.065 -9.071 -2.756 1.00 0.00 N ATOM 272 CA ALA A 19 11.299 -9.147 -3.587 1.00 0.00 C ATOM 273 C ALA A 19 11.445 -7.877 -4.427 1.00 0.00 C ATOM 274 O ALA A 19 12.534 -7.381 -4.639 1.00 0.00 O ATOM 275 CB ALA A 19 11.100 -10.367 -4.486 1.00 0.00 C ATOM 0 H ALA A 19 9.482 -9.908 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 19 12.201 -9.234 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.970 -10.490 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.976 -11.257 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.211 -10.225 -5.100 1.00 0.00 H new ATOM 281 N TYR A 20 10.354 -7.345 -4.903 1.00 0.00 N ATOM 282 CA TYR A 20 10.426 -6.105 -5.729 1.00 0.00 C ATOM 283 C TYR A 20 11.041 -4.966 -4.911 1.00 0.00 C ATOM 284 O TYR A 20 12.012 -4.355 -5.309 1.00 0.00 O ATOM 285 CB TYR A 20 8.977 -5.782 -6.086 1.00 0.00 C ATOM 286 CG TYR A 20 8.946 -4.747 -7.186 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.637 -4.975 -8.382 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.228 -3.559 -7.009 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.609 -4.016 -9.401 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.199 -2.599 -8.028 1.00 0.00 C ATOM 291 CZ TYR A 20 8.890 -2.827 -9.223 1.00 0.00 C ATOM 292 OH TYR A 20 8.862 -1.881 -10.228 1.00 0.00 O ATOM 0 H TYR A 20 9.415 -7.715 -4.756 1.00 0.00 H new ATOM 0 HA TYR A 20 11.045 -6.234 -6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.461 -6.686 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.449 -5.410 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.192 -5.891 -8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.696 -3.382 -6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.141 -4.193 -10.324 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.643 -1.683 -7.892 1.00 0.00 H new ATOM 0 HH TYR A 20 8.318 -1.117 -9.943 1.00 0.00 H new ATOM 302 N LEU A 21 10.479 -4.678 -3.771 1.00 0.00 N ATOM 303 CA LEU A 21 11.026 -3.581 -2.924 1.00 0.00 C ATOM 304 C LEU A 21 12.509 -3.823 -2.638 1.00 0.00 C ATOM 305 O LEU A 21 13.298 -2.901 -2.576 1.00 0.00 O ATOM 306 CB LEU A 21 10.210 -3.641 -1.633 1.00 0.00 C ATOM 307 CG LEU A 21 10.161 -2.254 -0.991 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.485 -2.348 0.379 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.586 -1.722 -0.819 1.00 0.00 C ATOM 0 H LEU A 21 9.663 -5.155 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 21 10.954 -2.607 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.200 -3.990 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.656 -4.357 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 21 9.594 -1.578 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.450 -1.359 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.470 -2.728 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.052 -3.024 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.552 -0.733 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.152 -2.399 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.069 -1.655 -1.794 1.00 0.00 H new ATOM 321 N VAL A 22 12.896 -5.058 -2.466 1.00 0.00 N ATOM 322 CA VAL A 22 14.330 -5.356 -2.187 1.00 0.00 C ATOM 323 C VAL A 22 15.200 -4.863 -3.342 1.00 0.00 C ATOM 324 O VAL A 22 16.154 -4.134 -3.151 1.00 0.00 O ATOM 325 CB VAL A 22 14.402 -6.878 -2.071 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.860 -7.330 -2.169 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.822 -7.314 -0.724 1.00 0.00 C ATOM 0 H VAL A 22 12.283 -5.872 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 22 14.690 -4.863 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 22 13.827 -7.331 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.911 -8.416 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.273 -7.020 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.436 -6.877 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.873 -8.400 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.397 -6.860 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.783 -6.993 -0.654 1.00 0.00 H new ATOM 337 N ALA A 23 14.876 -5.254 -4.541 1.00 0.00 N ATOM 338 CA ALA A 23 15.679 -4.809 -5.715 1.00 0.00 C ATOM 339 C ALA A 23 15.778 -3.283 -5.737 1.00 0.00 C ATOM 340 O ALA A 23 16.814 -2.722 -6.032 1.00 0.00 O ATOM 341 CB ALA A 23 14.909 -5.314 -6.935 1.00 0.00 C ATOM 0 H ALA A 23 14.088 -5.864 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 23 16.699 -5.194 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.437 -5.026 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.829 -6.400 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.911 -4.877 -6.942 1.00 0.00 H new ATOM 347 N LEU A 24 14.706 -2.606 -5.425 1.00 0.00 N ATOM 348 CA LEU A 24 14.737 -1.117 -5.425 1.00 0.00 C ATOM 349 C LEU A 24 15.751 -0.612 -4.397 1.00 0.00 C ATOM 350 O LEU A 24 16.456 0.350 -4.626 1.00 0.00 O ATOM 351 CB LEU A 24 13.321 -0.699 -5.031 1.00 0.00 C ATOM 352 CG LEU A 24 12.985 0.647 -5.673 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.191 0.557 -7.187 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.525 0.999 -5.380 1.00 0.00 C ATOM 0 H LEU A 24 13.810 -3.021 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 24 15.032 -0.706 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.605 -1.455 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.241 -0.626 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 24 13.637 1.418 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.951 1.517 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.230 0.304 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.539 -0.214 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.283 1.959 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.875 0.227 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.375 1.062 -4.302 1.00 0.00 H new ATOM 366 N VAL A 25 15.827 -1.256 -3.265 1.00 0.00 N ATOM 367 CA VAL A 25 16.795 -0.815 -2.218 1.00 0.00 C ATOM 368 C VAL A 25 17.642 -2.007 -1.742 1.00 0.00 C ATOM 369 O VAL A 25 18.706 -2.269 -2.266 1.00 0.00 O ATOM 370 CB VAL A 25 15.932 -0.244 -1.078 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.639 -1.054 -0.928 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.715 -0.289 0.235 1.00 0.00 C ATOM 0 H VAL A 25 15.261 -2.068 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 25 17.497 -0.069 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 25 15.677 0.788 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.040 -0.637 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.072 -1.010 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.884 -2.092 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.101 0.116 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.980 -1.321 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.623 0.306 0.138 1.00 0.00 H new ATOM 382 N GLY A 26 17.182 -2.727 -0.753 1.00 0.00 N ATOM 383 CA GLY A 26 17.962 -3.890 -0.248 1.00 0.00 C ATOM 384 C GLY A 26 17.232 -4.504 0.947 1.00 0.00 C ATOM 385 O GLY A 26 16.341 -3.905 1.516 1.00 0.00 O ATOM 0 H GLY A 26 16.298 -2.558 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.082 -4.633 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.962 -3.572 0.046 1.00 0.00 H new ATOM 389 N ALA A 27 17.598 -5.695 1.330 1.00 0.00 N ATOM 390 CA ALA A 27 16.918 -6.347 2.484 1.00 0.00 C ATOM 391 C ALA A 27 17.088 -5.510 3.755 1.00 0.00 C ATOM 392 O ALA A 27 16.322 -5.629 4.691 1.00 0.00 O ATOM 393 CB ALA A 27 17.609 -7.701 2.638 1.00 0.00 C ATOM 0 H ALA A 27 18.338 -6.245 0.894 1.00 0.00 H new ATOM 0 HA ALA A 27 15.845 -6.450 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.163 -8.244 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.487 -8.278 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.671 -7.548 2.832 1.00 0.00 H new ATOM 399 N ALA A 28 18.083 -4.668 3.802 1.00 0.00 N ATOM 400 CA ALA A 28 18.288 -3.835 5.016 1.00 0.00 C ATOM 401 C ALA A 28 17.199 -2.770 5.110 1.00 0.00 C ATOM 402 O ALA A 28 16.410 -2.755 6.033 1.00 0.00 O ATOM 403 CB ALA A 28 19.663 -3.191 4.833 1.00 0.00 C ATOM 0 H ALA A 28 18.760 -4.522 3.054 1.00 0.00 H new ATOM 0 HA ALA A 28 18.238 -4.421 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.886 -2.559 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.421 -3.970 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.663 -2.585 3.927 1.00 0.00 H new ATOM 409 N ALA A 29 17.141 -1.884 4.156 1.00 0.00 N ATOM 410 CA ALA A 29 16.088 -0.830 4.195 1.00 0.00 C ATOM 411 C ALA A 29 14.711 -1.485 4.100 1.00 0.00 C ATOM 412 O ALA A 29 13.712 -0.919 4.497 1.00 0.00 O ATOM 413 CB ALA A 29 16.350 0.048 2.971 1.00 0.00 C ATOM 0 H ALA A 29 17.772 -1.843 3.356 1.00 0.00 H new ATOM 0 HA ALA A 29 16.112 -0.248 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.611 0.849 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.349 0.479 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.277 -0.557 2.067 1.00 0.00 H new ATOM 419 N VAL A 30 14.653 -2.682 3.579 1.00 0.00 N ATOM 420 CA VAL A 30 13.345 -3.380 3.461 1.00 0.00 C ATOM 421 C VAL A 30 12.890 -3.879 4.835 1.00 0.00 C ATOM 422 O VAL A 30 11.713 -3.919 5.133 1.00 0.00 O ATOM 423 CB VAL A 30 13.607 -4.557 2.522 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.419 -5.519 2.564 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.790 -4.038 1.094 1.00 0.00 C ATOM 0 H VAL A 30 15.457 -3.205 3.231 1.00 0.00 H new ATOM 0 HA VAL A 30 12.559 -2.726 3.083 1.00 0.00 H new ATOM 0 HB VAL A 30 14.509 -5.080 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.606 -6.358 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.286 -5.889 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.516 -4.997 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.977 -4.877 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.887 -3.515 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.636 -3.352 1.062 1.00 0.00 H new ATOM 435 N THR A 31 13.814 -4.258 5.678 1.00 0.00 N ATOM 436 CA THR A 31 13.426 -4.751 7.032 1.00 0.00 C ATOM 437 C THR A 31 13.343 -3.579 8.015 1.00 0.00 C ATOM 438 O THR A 31 12.692 -3.659 9.038 1.00 0.00 O ATOM 439 CB THR A 31 14.539 -5.717 7.440 1.00 0.00 C ATOM 440 OG1 THR A 31 14.817 -6.599 6.362 1.00 0.00 O ATOM 441 CG2 THR A 31 14.092 -6.525 8.660 1.00 0.00 C ATOM 0 H THR A 31 14.816 -4.248 5.489 1.00 0.00 H new ATOM 0 HA THR A 31 12.450 -5.236 7.031 1.00 0.00 H new ATOM 0 HB THR A 31 15.438 -5.153 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.677 -6.360 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.885 -7.214 8.951 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.878 -5.848 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.193 -7.090 8.413 1.00 0.00 H new ATOM 449 N ALA A 32 13.995 -2.491 7.710 1.00 0.00 N ATOM 450 CA ALA A 32 13.952 -1.314 8.624 1.00 0.00 C ATOM 451 C ALA A 32 12.690 -0.493 8.359 1.00 0.00 C ATOM 452 O ALA A 32 12.200 0.211 9.220 1.00 0.00 O ATOM 453 CB ALA A 32 15.202 -0.502 8.285 1.00 0.00 C ATOM 0 H ALA A 32 14.556 -2.366 6.867 1.00 0.00 H new ATOM 0 HA ALA A 32 13.930 -1.604 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.243 0.384 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.089 -1.111 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.166 -0.199 7.238 1.00 0.00 H new ATOM 459 N ALA A 33 12.158 -0.579 7.170 1.00 0.00 N ATOM 460 CA ALA A 33 10.928 0.196 6.846 1.00 0.00 C ATOM 461 C ALA A 33 9.690 -0.527 7.385 1.00 0.00 C ATOM 462 O ALA A 33 8.573 -0.140 7.120 1.00 0.00 O ATOM 463 CB ALA A 33 10.892 0.257 5.319 1.00 0.00 C ATOM 0 H ALA A 33 12.523 -1.153 6.409 1.00 0.00 H new ATOM 0 HA ALA A 33 10.934 1.190 7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.012 0.814 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.790 0.755 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.849 -0.755 4.915 1.00 0.00 H new ATOM 469 N ASN A 34 9.883 -1.573 8.142 1.00 0.00 N ATOM 470 CA ASN A 34 8.718 -2.321 8.701 1.00 0.00 C ATOM 471 C ASN A 34 7.814 -2.832 7.571 1.00 0.00 C ATOM 472 O ASN A 34 6.740 -2.307 7.324 1.00 0.00 O ATOM 473 CB ASN A 34 7.975 -1.311 9.578 1.00 0.00 C ATOM 474 CG ASN A 34 6.717 -1.965 10.152 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.355 -3.058 9.765 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.027 -1.335 11.064 1.00 0.00 N ATOM 0 H ASN A 34 10.798 -1.943 8.398 1.00 0.00 H new ATOM 0 HA ASN A 34 9.029 -3.197 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.622 -0.969 10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.706 -0.432 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.185 -1.761 11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.330 -0.417 11.390 1.00 0.00 H new ATOM 483 N ILE A 35 8.241 -3.860 6.887 1.00 0.00 N ATOM 484 CA ILE A 35 7.417 -4.422 5.779 1.00 0.00 C ATOM 485 C ILE A 35 7.167 -5.912 6.021 1.00 0.00 C ATOM 486 O ILE A 35 8.069 -6.723 5.939 1.00 0.00 O ATOM 487 CB ILE A 35 8.253 -4.218 4.517 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.314 -2.727 4.182 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.611 -4.976 3.354 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.773 -2.265 4.173 1.00 0.00 C ATOM 0 H ILE A 35 9.128 -4.336 7.049 1.00 0.00 H new ATOM 0 HA ILE A 35 6.442 -3.940 5.701 1.00 0.00 H new ATOM 0 HB ILE A 35 9.262 -4.594 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.857 -2.543 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.745 -2.155 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.206 -4.831 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.566 -6.039 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.602 -4.599 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.817 -1.202 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.214 -2.435 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.328 -2.828 3.423 1.00 0.00 H new ATOM 502 N ARG A 36 5.953 -6.280 6.324 1.00 0.00 N ATOM 503 CA ARG A 36 5.655 -7.718 6.578 1.00 0.00 C ATOM 504 C ARG A 36 5.322 -8.434 5.266 1.00 0.00 C ATOM 505 O ARG A 36 4.922 -7.821 4.295 1.00 0.00 O ATOM 506 CB ARG A 36 4.442 -7.712 7.509 1.00 0.00 C ATOM 507 CG ARG A 36 4.825 -7.065 8.842 1.00 0.00 C ATOM 508 CD ARG A 36 5.486 -8.109 9.745 1.00 0.00 C ATOM 509 NE ARG A 36 4.899 -7.877 11.093 1.00 0.00 N ATOM 510 CZ ARG A 36 3.925 -8.635 11.520 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.817 -8.722 10.835 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.060 -9.305 12.631 1.00 0.00 N ATOM 0 H ARG A 36 5.156 -5.649 6.407 1.00 0.00 H new ATOM 0 HA ARG A 36 6.504 -8.243 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.620 -7.163 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.092 -8.731 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.507 -6.232 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.939 -6.657 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.282 -9.121 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.569 -7.989 9.760 1.00 0.00 H new ATOM 0 HE ARG A 36 5.257 -7.126 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.712 -8.198 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.056 -9.314 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.926 -9.237 13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.300 -9.897 12.965 1.00 0.00 H new ATOM 526 N ARG A 37 5.484 -9.728 5.233 1.00 0.00 N ATOM 527 CA ARG A 37 5.178 -10.490 3.988 1.00 0.00 C ATOM 528 C ARG A 37 3.824 -11.193 4.123 1.00 0.00 C ATOM 529 O ARG A 37 3.406 -11.550 5.206 1.00 0.00 O ATOM 530 CB ARG A 37 6.307 -11.514 3.864 1.00 0.00 C ATOM 531 CG ARG A 37 7.382 -10.980 2.915 1.00 0.00 C ATOM 532 CD ARG A 37 7.918 -12.125 2.052 1.00 0.00 C ATOM 533 NE ARG A 37 9.054 -12.694 2.829 1.00 0.00 N ATOM 534 CZ ARG A 37 9.054 -13.957 3.154 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.047 -14.463 3.810 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.063 -14.715 2.822 1.00 0.00 N ATOM 0 H ARG A 37 5.816 -10.292 6.015 1.00 0.00 H new ATOM 0 HA ARG A 37 5.116 -9.846 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.740 -11.714 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.915 -12.460 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.966 -10.197 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.194 -10.530 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.149 -12.876 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.248 -11.764 1.078 1.00 0.00 H new ATOM 0 HE ARG A 37 9.832 -12.096 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.258 -13.871 4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.048 -15.451 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.851 -14.320 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.064 -15.703 3.076 1.00 0.00 H new ATOM 550 N ALA A 38 3.138 -11.394 3.033 1.00 0.00 N ATOM 551 CA ALA A 38 1.812 -12.073 3.100 1.00 0.00 C ATOM 552 C ALA A 38 1.800 -13.301 2.186 1.00 0.00 C ATOM 553 O ALA A 38 2.537 -13.376 1.224 1.00 0.00 O ATOM 554 CB ALA A 38 0.809 -11.028 2.610 1.00 0.00 C ATOM 0 H ALA A 38 3.437 -11.118 2.098 1.00 0.00 H new ATOM 0 HA ALA A 38 1.577 -12.424 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.195 -11.451 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.847 -10.154 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.059 -10.733 1.591 1.00 0.00 H new ATOM 560 N SER A 39 0.972 -14.266 2.480 1.00 0.00 N ATOM 561 CA SER A 39 0.919 -15.487 1.626 1.00 0.00 C ATOM 562 C SER A 39 0.940 -15.098 0.145 1.00 0.00 C ATOM 563 O SER A 39 1.364 -15.861 -0.700 1.00 0.00 O ATOM 564 CB SER A 39 -0.403 -16.166 1.984 1.00 0.00 C ATOM 565 OG SER A 39 -0.418 -16.460 3.375 1.00 0.00 O ATOM 0 H SER A 39 0.331 -14.262 3.273 1.00 0.00 H new ATOM 0 HA SER A 39 1.772 -16.145 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.240 -15.516 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.523 -17.082 1.406 1.00 0.00 H new ATOM 0 HG SER A 39 -1.265 -16.894 3.609 1.00 0.00 H new ATOM 571 N SER A 40 0.485 -13.917 -0.175 1.00 0.00 N ATOM 572 CA SER A 40 0.479 -13.482 -1.602 1.00 0.00 C ATOM 573 C SER A 40 0.232 -11.973 -1.694 1.00 0.00 C ATOM 574 O SER A 40 0.384 -11.249 -0.730 1.00 0.00 O ATOM 575 CB SER A 40 -0.670 -14.255 -2.247 1.00 0.00 C ATOM 576 OG SER A 40 -0.146 -15.364 -2.964 1.00 0.00 O ATOM 0 H SER A 40 0.118 -13.235 0.489 1.00 0.00 H new ATOM 0 HA SER A 40 1.430 -13.678 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.367 -14.598 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.229 -13.604 -2.919 1.00 0.00 H new ATOM 0 HG SER A 40 0.518 -15.827 -2.411 1.00 0.00 H new ATOM 582 N ASP A 41 -0.148 -11.494 -2.847 1.00 0.00 N ATOM 583 CA ASP A 41 -0.405 -10.032 -2.999 1.00 0.00 C ATOM 584 C ASP A 41 -1.702 -9.646 -2.281 1.00 0.00 C ATOM 585 O ASP A 41 -1.995 -8.481 -2.093 1.00 0.00 O ATOM 586 CB ASP A 41 -0.537 -9.807 -4.506 1.00 0.00 C ATOM 587 CG ASP A 41 0.853 -9.644 -5.124 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.695 -10.489 -4.869 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.050 -8.678 -5.841 1.00 0.00 O ATOM 0 H ASP A 41 -0.292 -12.050 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 41 0.390 -9.425 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.054 -10.649 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.139 -8.919 -4.700 1.00 0.00 H new ATOM 594 N ASN A 42 -2.480 -10.614 -1.880 1.00 0.00 N ATOM 595 CA ASN A 42 -3.757 -10.302 -1.174 1.00 0.00 C ATOM 596 C ASN A 42 -3.547 -10.339 0.343 1.00 0.00 C ATOM 597 O ASN A 42 -3.417 -11.394 0.934 1.00 0.00 O ATOM 598 CB ASN A 42 -4.724 -11.404 -1.607 1.00 0.00 C ATOM 599 CG ASN A 42 -6.152 -11.011 -1.225 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.377 -10.436 -0.179 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.134 -11.299 -2.035 1.00 0.00 N ATOM 0 H ASN A 42 -2.288 -11.607 -2.010 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.132 -9.308 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.655 -11.561 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.455 -12.346 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.090 -11.041 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.946 -11.782 -2.914 1.00 0.00 H new ATOM 608 N HIS A 43 -3.515 -9.200 0.979 1.00 0.00 N ATOM 609 CA HIS A 43 -3.316 -9.178 2.459 1.00 0.00 C ATOM 610 C HIS A 43 -4.098 -8.024 3.086 1.00 0.00 C ATOM 611 O HIS A 43 -4.694 -7.216 2.402 1.00 0.00 O ATOM 612 CB HIS A 43 -1.811 -8.977 2.676 1.00 0.00 C ATOM 613 CG HIS A 43 -1.248 -8.038 1.640 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.044 -6.687 1.889 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.813 -8.250 0.356 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.503 -6.145 0.778 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.345 -7.057 -0.187 1.00 0.00 N ATOM 0 H HIS A 43 -3.618 -8.285 0.541 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.671 -10.098 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.632 -8.576 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.298 -9.937 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.831 -9.200 -0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.231 -5.104 0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.037 -6.910 -1.121 1.00 0.00 H new ATOM 625 N SER A 44 -4.094 -7.940 4.387 1.00 0.00 N ATOM 626 CA SER A 44 -4.829 -6.838 5.067 1.00 0.00 C ATOM 627 C SER A 44 -3.986 -5.563 5.047 1.00 0.00 C ATOM 628 O SER A 44 -2.857 -5.550 5.495 1.00 0.00 O ATOM 629 CB SER A 44 -5.032 -7.320 6.503 1.00 0.00 C ATOM 630 OG SER A 44 -3.879 -8.038 6.924 1.00 0.00 O ATOM 0 H SER A 44 -3.612 -8.588 5.010 1.00 0.00 H new ATOM 0 HA SER A 44 -5.776 -6.608 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.207 -6.470 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.914 -7.957 6.564 1.00 0.00 H new ATOM 0 HG SER A 44 -3.073 -7.546 6.662 1.00 0.00 H new ATOM 636 N CYS A 45 -4.518 -4.491 4.530 1.00 0.00 N ATOM 637 CA CYS A 45 -3.732 -3.227 4.488 1.00 0.00 C ATOM 638 C CYS A 45 -4.384 -2.159 5.364 1.00 0.00 C ATOM 639 O CYS A 45 -5.380 -2.396 6.026 1.00 0.00 O ATOM 640 CB CYS A 45 -3.732 -2.794 3.022 1.00 0.00 C ATOM 641 SG CYS A 45 -5.429 -2.755 2.395 1.00 0.00 S ATOM 0 H CYS A 45 -5.458 -4.435 4.137 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.720 -3.369 4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.276 -1.809 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.131 -3.484 2.429 1.00 0.00 H new ATOM 646 N ALA A 46 -3.822 -0.985 5.379 1.00 0.00 N ATOM 647 CA ALA A 46 -4.393 0.102 6.220 1.00 0.00 C ATOM 648 C ALA A 46 -4.709 -0.448 7.610 1.00 0.00 C ATOM 649 O ALA A 46 -5.717 -0.124 8.206 1.00 0.00 O ATOM 650 CB ALA A 46 -5.675 0.526 5.504 1.00 0.00 C ATOM 0 H ALA A 46 -2.991 -0.730 4.845 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.710 0.941 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.157 1.327 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.432 0.879 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.352 -0.326 5.435 1.00 0.00 H new ATOM 656 N GLY A 47 -3.854 -1.290 8.126 1.00 0.00 N ATOM 657 CA GLY A 47 -4.104 -1.877 9.470 1.00 0.00 C ATOM 658 C GLY A 47 -5.283 -2.843 9.374 1.00 0.00 C ATOM 659 O GLY A 47 -5.523 -3.441 8.344 1.00 0.00 O ATOM 0 H GLY A 47 -2.993 -1.596 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.216 -2.400 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.320 -1.089 10.192 1.00 0.00 H new ATOM 663 N ASN A 48 -6.028 -2.998 10.431 1.00 0.00 N ATOM 664 CA ASN A 48 -7.192 -3.919 10.388 1.00 0.00 C ATOM 665 C ASN A 48 -8.430 -3.176 9.874 1.00 0.00 C ATOM 666 O ASN A 48 -9.544 -3.467 10.260 1.00 0.00 O ATOM 667 CB ASN A 48 -7.398 -4.367 11.835 1.00 0.00 C ATOM 668 CG ASN A 48 -7.941 -3.197 12.657 1.00 0.00 C ATOM 669 OD1 ASN A 48 -9.070 -2.786 12.477 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.179 -2.639 13.558 1.00 0.00 N ATOM 0 H ASN A 48 -5.880 -2.526 11.323 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.027 -4.765 9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.093 -5.205 11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.455 -4.716 12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.531 -1.858 14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.231 -2.984 13.709 1.00 0.00 H new ATOM 677 N ARG A 49 -8.241 -2.209 9.015 1.00 0.00 N ATOM 678 CA ARG A 49 -9.399 -1.440 8.491 1.00 0.00 C ATOM 679 C ARG A 49 -9.566 -1.671 6.986 1.00 0.00 C ATOM 680 O ARG A 49 -10.658 -1.592 6.457 1.00 0.00 O ATOM 681 CB ARG A 49 -9.043 0.017 8.770 1.00 0.00 C ATOM 682 CG ARG A 49 -9.051 0.267 10.279 1.00 0.00 C ATOM 683 CD ARG A 49 -10.013 1.411 10.605 1.00 0.00 C ATOM 684 NE ARG A 49 -10.714 0.980 11.846 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.581 1.773 12.416 1.00 0.00 C ATOM 686 NH1 ARG A 49 -12.173 2.702 11.718 1.00 0.00 N ATOM 687 NH2 ARG A 49 -11.853 1.635 13.685 1.00 0.00 N ATOM 0 H ARG A 49 -7.331 -1.921 8.655 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.339 -1.738 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.060 0.247 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.757 0.677 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.354 -0.638 10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.046 0.514 10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.476 2.347 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.718 1.579 9.791 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.517 0.065 12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.959 2.809 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.850 3.321 12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.389 0.909 14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.530 2.254 14.132 1.00 0.00 H new ATOM 701 N GLY A 50 -8.499 -1.945 6.286 1.00 0.00 N ATOM 702 CA GLY A 50 -8.620 -2.167 4.818 1.00 0.00 C ATOM 703 C GLY A 50 -8.136 -3.573 4.462 1.00 0.00 C ATOM 704 O GLY A 50 -7.450 -4.219 5.227 1.00 0.00 O ATOM 0 H GLY A 50 -7.555 -2.024 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.657 -2.040 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.032 -1.424 4.279 1.00 0.00 H new ATOM 708 N TRP A 51 -8.492 -4.048 3.300 1.00 0.00 N ATOM 709 CA TRP A 51 -8.059 -5.411 2.880 1.00 0.00 C ATOM 710 C TRP A 51 -7.673 -5.386 1.398 1.00 0.00 C ATOM 711 O TRP A 51 -7.945 -4.430 0.699 1.00 0.00 O ATOM 712 CB TRP A 51 -9.285 -6.295 3.107 1.00 0.00 C ATOM 713 CG TRP A 51 -9.129 -7.065 4.379 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.910 -6.919 5.475 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.155 -8.097 4.707 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.477 -7.796 6.453 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.397 -8.544 6.028 1.00 0.00 C ATOM 718 CE3 TRP A 51 -7.093 -8.683 3.993 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.617 -9.537 6.619 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.304 -9.682 4.586 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.566 -10.108 5.897 1.00 0.00 C ATOM 0 H TRP A 51 -9.066 -3.549 2.621 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.193 -5.774 3.434 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.184 -5.680 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.409 -6.981 2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.736 -6.230 5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.904 -7.880 7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.884 -8.362 2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.824 -9.863 7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.491 -10.125 4.030 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.956 -10.877 6.348 1.00 0.00 H new ATOM 732 N CYS A 52 -7.035 -6.414 0.908 1.00 0.00 N ATOM 733 CA CYS A 52 -6.638 -6.412 -0.529 1.00 0.00 C ATOM 734 C CYS A 52 -7.498 -7.386 -1.340 1.00 0.00 C ATOM 735 O CYS A 52 -7.364 -8.589 -1.231 1.00 0.00 O ATOM 736 CB CYS A 52 -5.179 -6.867 -0.536 1.00 0.00 C ATOM 737 SG CYS A 52 -4.394 -6.361 -2.086 1.00 0.00 S ATOM 0 H CYS A 52 -6.773 -7.248 1.434 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.771 -5.429 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.648 -6.433 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.125 -7.950 -0.425 1.00 0.00 H new ATOM 742 N ARG A 53 -8.366 -6.872 -2.166 1.00 0.00 N ATOM 743 CA ARG A 53 -9.225 -7.761 -3.004 1.00 0.00 C ATOM 744 C ARG A 53 -9.151 -7.299 -4.460 1.00 0.00 C ATOM 745 O ARG A 53 -8.824 -6.162 -4.736 1.00 0.00 O ATOM 746 CB ARG A 53 -10.659 -7.590 -2.485 1.00 0.00 C ATOM 747 CG ARG A 53 -10.671 -7.356 -0.973 1.00 0.00 C ATOM 748 CD ARG A 53 -11.069 -5.906 -0.710 1.00 0.00 C ATOM 749 NE ARG A 53 -10.863 -5.700 0.747 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.846 -5.906 1.581 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.251 -7.122 1.823 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.422 -4.896 2.174 1.00 0.00 N ATOM 0 H ARG A 53 -8.519 -5.872 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.904 -8.801 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.135 -6.749 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.244 -8.478 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.374 -8.035 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.688 -7.561 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.458 -5.218 -1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.107 -5.726 -0.990 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.953 -5.398 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.800 -7.911 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.019 -7.284 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.104 -3.945 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.190 -5.057 2.826 1.00 0.00 H new ATOM 766 N SER A 54 -9.470 -8.150 -5.394 1.00 0.00 N ATOM 767 CA SER A 54 -9.426 -7.712 -6.815 1.00 0.00 C ATOM 768 C SER A 54 -10.193 -6.397 -6.934 1.00 0.00 C ATOM 769 O SER A 54 -9.723 -5.431 -7.504 1.00 0.00 O ATOM 770 CB SER A 54 -10.122 -8.822 -7.601 1.00 0.00 C ATOM 771 OG SER A 54 -11.455 -8.424 -7.897 1.00 0.00 O ATOM 0 H SER A 54 -9.755 -9.117 -5.238 1.00 0.00 H new ATOM 0 HA SER A 54 -8.414 -7.548 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.578 -9.026 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.126 -9.746 -7.022 1.00 0.00 H new ATOM 0 HG SER A 54 -11.904 -9.133 -8.403 1.00 0.00 H new ATOM 777 N LYS A 55 -11.369 -6.362 -6.380 1.00 0.00 N ATOM 778 CA LYS A 55 -12.192 -5.129 -6.424 1.00 0.00 C ATOM 779 C LYS A 55 -12.582 -4.696 -5.015 1.00 0.00 C ATOM 780 O LYS A 55 -12.115 -5.232 -4.031 1.00 0.00 O ATOM 781 CB LYS A 55 -13.439 -5.518 -7.209 1.00 0.00 C ATOM 782 CG LYS A 55 -13.201 -5.163 -8.661 1.00 0.00 C ATOM 783 CD LYS A 55 -14.234 -4.131 -9.119 1.00 0.00 C ATOM 784 CE LYS A 55 -14.699 -4.469 -10.538 1.00 0.00 C ATOM 785 NZ LYS A 55 -15.114 -3.166 -11.127 1.00 0.00 N ATOM 0 H LYS A 55 -11.800 -7.147 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.654 -4.297 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.639 -6.584 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.312 -4.991 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.194 -4.764 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.269 -6.058 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.085 -4.125 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.800 -3.131 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.897 -4.927 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.527 -5.178 -10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.446 -3.315 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.883 -2.757 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.304 -2.514 -11.134 1.00 0.00 H new ATOM 799 N CYS A 56 -13.447 -3.733 -4.921 1.00 0.00 N ATOM 800 CA CYS A 56 -13.892 -3.258 -3.578 1.00 0.00 C ATOM 801 C CYS A 56 -15.420 -3.169 -3.535 1.00 0.00 C ATOM 802 O CYS A 56 -16.079 -3.190 -4.555 1.00 0.00 O ATOM 803 CB CYS A 56 -13.265 -1.873 -3.403 1.00 0.00 C ATOM 804 SG CYS A 56 -11.527 -1.919 -3.909 1.00 0.00 S ATOM 0 H CYS A 56 -13.869 -3.250 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.587 -3.936 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.808 -1.140 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.342 -1.557 -2.363 1.00 0.00 H new ATOM 809 N PHE A 57 -15.988 -3.076 -2.365 1.00 0.00 N ATOM 810 CA PHE A 57 -17.472 -2.990 -2.262 1.00 0.00 C ATOM 811 C PHE A 57 -17.939 -1.564 -2.558 1.00 0.00 C ATOM 812 O PHE A 57 -17.160 -0.632 -2.561 1.00 0.00 O ATOM 813 CB PHE A 57 -17.792 -3.366 -0.816 1.00 0.00 C ATOM 814 CG PHE A 57 -17.000 -4.590 -0.421 1.00 0.00 C ATOM 815 CD1 PHE A 57 -16.658 -5.547 -1.383 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.607 -4.766 0.911 1.00 0.00 C ATOM 817 CE1 PHE A 57 -15.925 -6.681 -1.015 1.00 0.00 C ATOM 818 CE2 PHE A 57 -15.874 -5.900 1.281 1.00 0.00 C ATOM 819 CZ PHE A 57 -15.533 -6.857 0.318 1.00 0.00 C ATOM 0 H PHE A 57 -15.489 -3.056 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.973 -3.645 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.551 -2.535 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.859 -3.561 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.960 -5.410 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.869 -4.027 1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.662 -7.419 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.572 -6.036 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.967 -7.732 0.603 1.00 0.00 H new ATOM 829 N ARG A 58 -19.207 -1.387 -2.808 1.00 0.00 N ATOM 830 CA ARG A 58 -19.723 -0.023 -3.103 1.00 0.00 C ATOM 831 C ARG A 58 -19.538 0.884 -1.890 1.00 0.00 C ATOM 832 O ARG A 58 -19.101 2.012 -2.004 1.00 0.00 O ATOM 833 CB ARG A 58 -21.208 -0.215 -3.408 1.00 0.00 C ATOM 834 CG ARG A 58 -21.702 0.934 -4.287 1.00 0.00 C ATOM 835 CD ARG A 58 -23.176 1.212 -3.982 1.00 0.00 C ATOM 836 NE ARG A 58 -23.453 2.538 -4.601 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.597 3.131 -4.389 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.363 2.737 -3.408 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.974 4.116 -5.156 1.00 0.00 N ATOM 0 H ARG A 58 -19.907 -2.129 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.196 0.446 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.366 -1.167 -3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.779 -0.248 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.107 1.828 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.579 0.680 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.819 0.438 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.360 1.231 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.749 2.983 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -25.068 1.967 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -26.257 3.199 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.375 4.424 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -25.868 4.579 -4.990 1.00 0.00 H new ATOM 853 N HIS A 59 -19.858 0.396 -0.725 1.00 0.00 N ATOM 854 CA HIS A 59 -19.692 1.227 0.499 1.00 0.00 C ATOM 855 C HIS A 59 -18.203 1.463 0.770 1.00 0.00 C ATOM 856 O HIS A 59 -17.834 2.187 1.674 1.00 0.00 O ATOM 857 CB HIS A 59 -20.318 0.403 1.625 1.00 0.00 C ATOM 858 CG HIS A 59 -21.546 1.103 2.139 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.564 1.764 3.358 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.804 1.254 1.612 1.00 0.00 C ATOM 861 CE1 HIS A 59 -22.798 2.276 3.522 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.593 1.994 2.487 1.00 0.00 N ATOM 0 H HIS A 59 -20.227 -0.542 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.161 2.207 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.579 -0.591 1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.599 0.267 2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.132 0.858 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.107 2.846 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.569 2.263 2.364 1.00 0.00 H new ATOM 870 N GLU A 60 -17.344 0.855 -0.005 1.00 0.00 N ATOM 871 CA GLU A 60 -15.883 1.040 0.210 1.00 0.00 C ATOM 872 C GLU A 60 -15.225 1.572 -1.067 1.00 0.00 C ATOM 873 O GLU A 60 -15.879 1.800 -2.066 1.00 0.00 O ATOM 874 CB GLU A 60 -15.362 -0.360 0.533 1.00 0.00 C ATOM 875 CG GLU A 60 -15.570 -0.657 2.019 1.00 0.00 C ATOM 876 CD GLU A 60 -14.641 -1.794 2.447 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.487 -1.515 2.727 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.100 -2.923 2.487 1.00 0.00 O ATOM 0 H GLU A 60 -17.594 0.238 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.665 1.756 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.884 -1.101 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.304 -0.431 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.367 0.235 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.608 -0.932 2.204 1.00 0.00 H new ATOM 885 N TYR A 61 -13.933 1.759 -1.047 1.00 0.00 N ATOM 886 CA TYR A 61 -13.235 2.264 -2.264 1.00 0.00 C ATOM 887 C TYR A 61 -11.906 1.534 -2.443 1.00 0.00 C ATOM 888 O TYR A 61 -11.668 0.498 -1.856 1.00 0.00 O ATOM 889 CB TYR A 61 -12.994 3.754 -2.015 1.00 0.00 C ATOM 890 CG TYR A 61 -12.057 3.934 -0.843 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.481 3.604 0.449 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.765 4.436 -1.049 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.616 3.776 1.535 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.899 4.606 0.038 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.325 4.277 1.330 1.00 0.00 C ATOM 896 OH TYR A 61 -9.472 4.445 2.401 1.00 0.00 O ATOM 0 H TYR A 61 -13.331 1.584 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.822 2.099 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.569 4.217 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.941 4.256 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.476 3.216 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.437 4.692 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.944 3.522 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.902 4.991 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.615 4.801 2.084 1.00 0.00 H new ATOM 906 N VAL A 62 -11.036 2.072 -3.250 1.00 0.00 N ATOM 907 CA VAL A 62 -9.718 1.415 -3.471 1.00 0.00 C ATOM 908 C VAL A 62 -8.600 2.260 -2.859 1.00 0.00 C ATOM 909 O VAL A 62 -8.030 3.106 -3.516 1.00 0.00 O ATOM 910 CB VAL A 62 -9.558 1.345 -4.991 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.146 0.871 -5.336 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.577 0.361 -5.566 1.00 0.00 C ATOM 0 H VAL A 62 -11.181 2.939 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.667 0.429 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.724 2.334 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.033 0.822 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.417 1.571 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.979 -0.118 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.463 0.311 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.410 -0.627 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.585 0.697 -5.322 1.00 0.00 H new ATOM 922 N ASP A 63 -8.285 2.039 -1.608 1.00 0.00 N ATOM 923 CA ASP A 63 -7.200 2.832 -0.954 1.00 0.00 C ATOM 924 C ASP A 63 -6.030 3.025 -1.922 1.00 0.00 C ATOM 925 O ASP A 63 -5.137 2.205 -2.007 1.00 0.00 O ATOM 926 CB ASP A 63 -6.764 1.998 0.254 1.00 0.00 C ATOM 927 CG ASP A 63 -5.976 2.881 1.225 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.503 3.921 0.798 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.860 2.501 2.377 1.00 0.00 O ATOM 0 H ASP A 63 -8.732 1.343 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.538 3.826 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.637 1.578 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.149 1.159 -0.072 1.00 0.00 H new ATOM 934 N THR A 64 -6.037 4.100 -2.659 1.00 0.00 N ATOM 935 CA THR A 64 -4.936 4.349 -3.633 1.00 0.00 C ATOM 936 C THR A 64 -3.581 4.362 -2.921 1.00 0.00 C ATOM 937 O THR A 64 -2.567 4.012 -3.491 1.00 0.00 O ATOM 938 CB THR A 64 -5.242 5.723 -4.226 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.843 6.543 -3.233 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.198 5.569 -5.410 1.00 0.00 C ATOM 0 H THR A 64 -6.759 4.819 -2.629 1.00 0.00 H new ATOM 0 HA THR A 64 -4.880 3.574 -4.397 1.00 0.00 H new ATOM 0 HB THR A 64 -4.316 6.185 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.805 6.612 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.415 6.550 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.736 4.941 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.125 5.106 -5.071 1.00 0.00 H new ATOM 948 N TYR A 65 -3.556 4.770 -1.685 1.00 0.00 N ATOM 949 CA TYR A 65 -2.266 4.815 -0.940 1.00 0.00 C ATOM 950 C TYR A 65 -1.732 3.401 -0.690 1.00 0.00 C ATOM 951 O TYR A 65 -0.575 3.115 -0.922 1.00 0.00 O ATOM 952 CB TYR A 65 -2.598 5.497 0.384 1.00 0.00 C ATOM 953 CG TYR A 65 -1.338 6.072 0.982 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.931 7.368 0.644 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.573 5.307 1.869 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.241 7.900 1.196 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.599 5.838 2.421 1.00 0.00 C ATOM 958 CZ TYR A 65 1.006 7.135 2.084 1.00 0.00 C ATOM 959 OH TYR A 65 2.161 7.659 2.628 1.00 0.00 O ATOM 0 H TYR A 65 -4.373 5.075 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.495 5.346 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.331 6.287 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.046 4.780 1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.521 7.958 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.887 4.307 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.554 8.900 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.189 5.248 3.106 1.00 0.00 H new ATOM 0 HH TYR A 65 2.528 7.030 3.284 1.00 0.00 H new ATOM 969 N TYR A 66 -2.561 2.521 -0.202 1.00 0.00 N ATOM 970 CA TYR A 66 -2.089 1.133 0.079 1.00 0.00 C ATOM 971 C TYR A 66 -2.137 0.268 -1.183 1.00 0.00 C ATOM 972 O TYR A 66 -1.636 -0.840 -1.204 1.00 0.00 O ATOM 973 CB TYR A 66 -3.045 0.600 1.144 1.00 0.00 C ATOM 974 CG TYR A 66 -2.545 1.019 2.503 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.943 2.246 3.047 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.674 0.187 3.216 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.470 2.640 4.303 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.200 0.581 4.472 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.598 1.808 5.017 1.00 0.00 C ATOM 980 OH TYR A 66 -1.131 2.197 6.256 1.00 0.00 O ATOM 0 H TYR A 66 -3.542 2.700 0.014 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.052 1.116 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.050 0.987 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.108 -0.487 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.615 2.888 2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.368 -0.760 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.777 3.586 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.527 -0.061 5.021 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.538 1.504 6.614 1.00 0.00 H new ATOM 990 N SER A 67 -2.720 0.761 -2.240 1.00 0.00 N ATOM 991 CA SER A 67 -2.772 -0.045 -3.494 1.00 0.00 C ATOM 992 C SER A 67 -1.385 -0.629 -3.782 1.00 0.00 C ATOM 993 O SER A 67 -1.248 -1.634 -4.453 1.00 0.00 O ATOM 994 CB SER A 67 -3.176 0.944 -4.585 1.00 0.00 C ATOM 995 OG SER A 67 -4.580 0.866 -4.793 1.00 0.00 O ATOM 0 H SER A 67 -3.160 1.680 -2.291 1.00 0.00 H new ATOM 0 HA SER A 67 -3.470 -0.879 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.895 1.957 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.647 0.718 -5.511 1.00 0.00 H new ATOM 0 HG SER A 67 -5.047 1.227 -4.011 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.357 -0.001 -3.275 1.00 0.00 N ATOM 1002 CA ALA A 68 1.025 -0.507 -3.512 1.00 0.00 C ATOM 1003 C ALA A 68 1.235 -1.851 -2.808 1.00 0.00 C ATOM 1004 O ALA A 68 1.329 -2.882 -3.445 1.00 0.00 O ATOM 1005 CB ALA A 68 1.943 0.558 -2.911 1.00 0.00 C ATOM 0 H ALA A 68 -0.416 0.843 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 68 1.223 -0.673 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.983 0.260 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.772 1.511 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.730 0.664 -1.847 1.00 0.00 H new ATOM 1011 N VAL A 69 1.318 -1.853 -1.503 1.00 0.00 N ATOM 1012 CA VAL A 69 1.532 -3.142 -0.782 1.00 0.00 C ATOM 1013 C VAL A 69 0.623 -4.222 -1.369 1.00 0.00 C ATOM 1014 O VAL A 69 0.951 -5.391 -1.367 1.00 0.00 O ATOM 1015 CB VAL A 69 1.185 -2.866 0.688 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.322 -2.690 0.858 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.654 -4.035 1.550 1.00 0.00 C ATOM 0 H VAL A 69 1.248 -1.026 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 69 2.557 -3.500 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 69 1.686 -1.949 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.550 -2.495 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.661 -1.851 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.833 -3.598 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.408 -3.839 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.157 -4.949 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.733 -4.153 1.448 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.514 -3.837 -1.878 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.439 -4.845 -2.471 1.00 0.00 C ATOM 1029 C CYS A 70 -0.765 -5.549 -3.651 1.00 0.00 C ATOM 1030 O CYS A 70 -0.509 -6.736 -3.613 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.651 -4.043 -2.944 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.055 -4.384 -1.855 1.00 0.00 S ATOM 0 H CYS A 70 -0.843 -2.872 -1.910 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.719 -5.620 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.421 -2.977 -2.938 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.900 -4.309 -3.971 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.473 -4.828 -4.699 1.00 0.00 N ATOM 1038 CA GLY A 71 0.187 -5.459 -5.877 1.00 0.00 C ATOM 1039 C GLY A 71 -0.852 -5.712 -6.971 1.00 0.00 C ATOM 1040 O GLY A 71 -1.434 -4.793 -7.510 1.00 0.00 O ATOM 0 H GLY A 71 -0.663 -3.830 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.977 -4.810 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.658 -6.397 -5.584 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.090 -6.951 -7.302 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.093 -7.259 -8.360 1.00 0.00 C ATOM 1046 C ARG A 72 -3.469 -6.741 -7.940 1.00 0.00 C ATOM 1047 O ARG A 72 -4.131 -6.037 -8.676 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.102 -8.785 -8.466 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.317 -9.215 -9.708 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.492 -10.719 -9.930 1.00 0.00 C ATOM 1051 NE ARG A 72 -0.195 -11.175 -10.503 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.370 -12.263 -10.057 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.212 -13.418 -10.231 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.515 -12.197 -9.436 1.00 0.00 N ATOM 0 H ARG A 72 -0.634 -7.763 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.851 -6.788 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.659 -9.225 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.127 -9.150 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.668 -8.665 -10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.261 -8.976 -9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.713 -11.233 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.319 -10.924 -10.610 1.00 0.00 H new ATOM 0 HE ARG A 72 0.252 -10.636 -11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.108 -13.470 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.229 -14.269 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.969 -11.294 -9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.956 -13.048 -9.088 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.900 -7.077 -6.755 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.231 -6.599 -6.283 1.00 0.00 C ATOM 1070 C TYR A 73 -5.122 -5.156 -5.787 1.00 0.00 C ATOM 1071 O TYR A 73 -4.083 -4.533 -5.881 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.603 -7.527 -5.124 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.584 -8.968 -5.581 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -5.607 -9.279 -6.947 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.543 -9.997 -4.632 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.591 -10.615 -7.362 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.527 -11.332 -5.046 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.551 -11.642 -6.412 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.534 -12.960 -6.821 1.00 0.00 O ATOM 0 H TYR A 73 -3.389 -7.661 -6.094 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.979 -6.616 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.903 -7.390 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.593 -7.271 -4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.637 -8.487 -7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.524 -9.759 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.610 -10.854 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.496 -12.124 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.505 -13.546 -6.036 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.184 -4.624 -5.250 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.140 -3.225 -4.736 1.00 0.00 C ATOM 1091 C PHE A 74 -6.516 -3.210 -3.257 1.00 0.00 C ATOM 1092 O PHE A 74 -7.351 -3.971 -2.812 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.176 -2.454 -5.553 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.064 -2.831 -7.008 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.808 -2.894 -7.624 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.219 -3.118 -7.742 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.710 -3.245 -8.975 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.123 -3.469 -9.093 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.867 -3.533 -9.711 1.00 0.00 C ATOM 0 H PHE A 74 -7.082 -5.097 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.148 -2.784 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.179 -2.675 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.022 -1.382 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.916 -2.672 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.187 -3.069 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.742 -3.294 -9.451 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.016 -3.690 -9.659 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.791 -3.804 -10.754 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.913 -2.348 -2.490 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.250 -2.289 -1.042 1.00 0.00 C ATOM 1111 C CYS A 75 -7.522 -1.467 -0.851 1.00 0.00 C ATOM 1112 O CYS A 75 -7.481 -0.255 -0.803 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.054 -1.602 -0.379 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.510 -1.066 1.290 1.00 0.00 S ATOM 0 H CYS A 75 -5.204 -1.684 -2.801 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.432 -3.274 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.208 -2.287 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.738 -0.745 -0.974 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.651 -2.109 -0.743 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.913 -1.343 -0.560 1.00 0.00 C ATOM 1121 C CYS A 76 -10.047 -0.909 0.900 1.00 0.00 C ATOM 1122 O CYS A 76 -9.363 -1.409 1.772 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.031 -2.310 -0.946 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.633 -3.092 -2.529 1.00 0.00 S ATOM 0 H CYS A 76 -8.754 -3.123 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.943 -0.438 -1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.152 -3.069 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.979 -1.776 -1.020 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.912 0.024 1.169 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.078 0.500 2.573 1.00 0.00 C ATOM 1131 C ARG A 77 -12.505 0.999 2.805 1.00 0.00 C ATOM 1132 O ARG A 77 -13.337 0.970 1.920 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.086 1.657 2.711 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.816 1.171 3.413 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.356 2.229 4.419 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.524 2.440 5.318 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.437 3.279 6.315 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.316 3.395 6.974 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.470 4.000 6.653 1.00 0.00 N ATOM 0 H ARG A 77 -11.512 0.479 0.481 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.898 -0.293 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.839 2.055 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.538 2.470 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.008 0.227 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.031 0.984 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.484 1.889 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.072 3.154 3.917 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.392 1.929 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.509 2.830 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.248 4.050 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.346 3.909 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.402 4.655 7.432 1.00 0.00 H new ATOM 1153 N SER A 78 -12.789 1.461 3.992 1.00 0.00 N ATOM 1154 CA SER A 78 -14.158 1.970 4.289 1.00 0.00 C ATOM 1155 C SER A 78 -14.101 3.463 4.623 1.00 0.00 C ATOM 1156 O SER A 78 -13.992 3.849 5.770 1.00 0.00 O ATOM 1157 CB SER A 78 -14.624 1.167 5.502 1.00 0.00 C ATOM 1158 OG SER A 78 -13.940 1.625 6.660 1.00 0.00 O ATOM 0 H SER A 78 -12.131 1.508 4.770 1.00 0.00 H new ATOM 0 HA SER A 78 -14.835 1.858 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.700 1.278 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.429 0.106 5.347 1.00 0.00 H new ATOM 0 HG SER A 78 -14.186 2.557 6.838 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.173 4.306 3.628 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.120 5.773 3.889 1.00 0.00 C ATOM 1166 C ARG A 79 -15.181 6.167 4.921 1.00 0.00 C ATOM 1167 O ARG A 79 -16.339 6.245 4.549 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.416 6.428 2.539 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.618 7.728 2.419 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.274 7.443 1.747 1.00 0.00 C ATOM 1171 NE ARG A 79 -12.433 7.932 0.349 1.00 0.00 N ATOM 1172 CZ ARG A 79 -11.383 8.269 -0.349 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -10.555 9.167 0.109 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.162 7.708 -1.506 1.00 0.00 N ATOM 1175 OXT ARG A 79 -14.814 6.382 6.064 1.00 0.00 O ATOM 0 H ARG A 79 -14.266 4.042 2.647 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.156 6.085 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.152 5.750 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.483 6.633 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.179 8.459 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.458 8.161 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.460 7.960 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.039 6.379 1.769 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.363 8.004 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.728 9.606 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.735 9.430 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.810 7.006 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.342 7.971 -2.052 1.00 0.00 H new TER 1189 ARG A 79