USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 663 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 38 ASN : amide:sc= 1.18 K(o=2.2,f=-9.1!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -162:sc= 1.05 (180deg=-0.106) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.47) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.96) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -130:sc= -0.0266 (180deg=-1.65) USER MOD Single : A 21 HIS : +bothHN:sc= -2.71! C(o=-2.7!,f=-17!) USER MOD Single : A 27 HIS : no HE2:sc= -0.769 X(o=-0.77,f=-0.46) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= 1.03 (180deg=0.527) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.754 (180deg=-1.49) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0748 F(o=-0.65,f=-0.075) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 2.39 (180deg=2.15) USER MOD Single : A 57 GLN : amide:sc= -0.0445 X(o=-0.044,f=-0.036) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 63 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.23) USER MOD Single : A 72 SER OG : rot -25:sc= 0.0923 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.064 F(o=-1.1,f=-0.064) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -12.180 6.136 -2.489 1.00 0.00 N ATOM 2 CA GLY A 2 -11.202 6.169 -3.550 1.00 0.00 C ATOM 3 C GLY A 2 -9.829 6.366 -3.015 1.00 0.00 C ATOM 4 O GLY A 2 -9.612 7.184 -2.143 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.244 5.238 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.443 6.974 -4.244 1.00 0.00 H new ATOM 10 N ILE A 3 -8.890 5.643 -3.544 1.00 0.00 N ATOM 11 CA ILE A 3 -7.542 5.757 -3.080 1.00 0.00 C ATOM 12 C ILE A 3 -6.789 6.738 -3.976 1.00 0.00 C ATOM 13 O ILE A 3 -5.871 7.412 -3.542 1.00 0.00 O ATOM 14 CB ILE A 3 -6.823 4.373 -3.006 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.452 4.494 -2.323 1.00 0.00 C ATOM 16 CG2 ILE A 3 -6.683 3.739 -4.384 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.522 4.989 -0.887 1.00 0.00 C ATOM 0 H ILE A 3 -9.032 4.969 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.555 6.140 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.448 3.717 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.962 3.520 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.827 5.174 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.178 2.777 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.672 3.590 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.099 4.396 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.515 5.048 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.982 5.977 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.119 4.297 -0.292 1.00 0.00 H new ATOM 29 N LYS A 4 -7.279 6.884 -5.212 1.00 0.00 N ATOM 30 CA LYS A 4 -6.671 7.780 -6.209 1.00 0.00 C ATOM 31 C LYS A 4 -6.912 9.256 -5.868 1.00 0.00 C ATOM 32 O LYS A 4 -6.437 10.150 -6.557 1.00 0.00 O ATOM 33 CB LYS A 4 -7.213 7.470 -7.612 1.00 0.00 C ATOM 34 CG LYS A 4 -8.705 7.716 -7.744 1.00 0.00 C ATOM 35 CD LYS A 4 -9.261 7.335 -9.109 1.00 0.00 C ATOM 36 CE LYS A 4 -9.080 5.857 -9.395 1.00 0.00 C ATOM 37 NZ LYS A 4 -9.885 5.412 -10.541 1.00 0.00 N ATOM 0 H LYS A 4 -8.104 6.388 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.596 7.603 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.684 8.082 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.000 6.429 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.229 7.148 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.910 8.770 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.320 7.587 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.761 7.919 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.027 5.653 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.358 5.281 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.730 4.396 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.892 5.582 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.603 5.942 -11.390 1.00 0.00 H new ATOM 51 N GLN A 5 -7.640 9.482 -4.798 1.00 0.00 N ATOM 52 CA GLN A 5 -7.981 10.823 -4.351 1.00 0.00 C ATOM 53 C GLN A 5 -6.853 11.371 -3.561 1.00 0.00 C ATOM 54 O GLN A 5 -6.693 12.578 -3.436 1.00 0.00 O ATOM 55 CB GLN A 5 -9.196 10.763 -3.436 1.00 0.00 C ATOM 56 CG GLN A 5 -10.284 9.930 -4.001 1.00 0.00 C ATOM 57 CD GLN A 5 -10.769 10.438 -5.330 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.794 11.625 -5.593 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.092 9.535 -6.189 1.00 0.00 N ATOM 0 H GLN A 5 -8.016 8.741 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.189 11.446 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.899 10.361 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.567 11.773 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.930 8.905 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.118 9.903 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.058 8.549 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.382 9.806 -7.129 1.00 0.00 H new ATOM 68 N TYR A 6 -6.066 10.475 -3.028 1.00 0.00 N ATOM 69 CA TYR A 6 -5.017 10.854 -2.145 1.00 0.00 C ATOM 70 C TYR A 6 -3.679 10.951 -2.878 1.00 0.00 C ATOM 71 O TYR A 6 -3.566 10.532 -4.026 1.00 0.00 O ATOM 72 CB TYR A 6 -4.937 9.888 -0.975 1.00 0.00 C ATOM 73 CG TYR A 6 -6.227 9.802 -0.169 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.485 10.720 0.832 1.00 0.00 C ATOM 75 CD2 TYR A 6 -7.172 8.796 -0.394 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.629 10.654 1.585 1.00 0.00 C ATOM 77 CE2 TYR A 6 -8.327 8.725 0.370 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.545 9.666 1.362 1.00 0.00 C ATOM 79 OH TYR A 6 -9.688 9.618 2.141 1.00 0.00 O ATOM 0 H TYR A 6 -6.140 9.472 -3.197 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.242 11.846 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.685 8.896 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.125 10.195 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.770 11.506 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -7.000 8.066 -1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.807 11.387 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -9.050 7.943 0.193 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.243 8.860 1.862 1.00 0.00 H new ATOM 89 N SER A 7 -2.688 11.510 -2.224 1.00 0.00 N ATOM 90 CA SER A 7 -1.370 11.663 -2.800 1.00 0.00 C ATOM 91 C SER A 7 -0.299 10.971 -1.921 1.00 0.00 C ATOM 92 O SER A 7 -0.627 10.405 -0.875 1.00 0.00 O ATOM 93 CB SER A 7 -1.071 13.144 -2.969 1.00 0.00 C ATOM 94 OG SER A 7 -2.064 13.771 -3.774 1.00 0.00 O ATOM 0 H SER A 7 -2.772 11.873 -1.274 1.00 0.00 H new ATOM 0 HA SER A 7 -1.344 11.181 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.031 13.625 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.090 13.272 -3.428 1.00 0.00 H new ATOM 0 HG SER A 7 -1.854 14.724 -3.869 1.00 0.00 H new ATOM 100 N GLN A 8 0.983 11.057 -2.330 1.00 0.00 N ATOM 101 CA GLN A 8 2.096 10.351 -1.648 1.00 0.00 C ATOM 102 C GLN A 8 2.244 10.729 -0.173 1.00 0.00 C ATOM 103 O GLN A 8 2.458 9.863 0.655 1.00 0.00 O ATOM 104 CB GLN A 8 3.434 10.558 -2.368 1.00 0.00 C ATOM 105 CG GLN A 8 3.797 12.004 -2.576 1.00 0.00 C ATOM 106 CD GLN A 8 5.212 12.214 -3.052 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.107 11.439 -2.741 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.428 13.262 -3.772 1.00 0.00 N ATOM 0 H GLN A 8 1.278 11.611 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 8 1.826 9.296 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.224 10.074 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.395 10.060 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.111 12.440 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.655 12.543 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.656 13.885 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.371 13.468 -4.103 1.00 0.00 H new ATOM 117 N GLU A 9 2.108 12.013 0.127 1.00 0.00 N ATOM 118 CA GLU A 9 2.213 12.552 1.487 1.00 0.00 C ATOM 119 C GLU A 9 1.230 11.870 2.430 1.00 0.00 C ATOM 120 O GLU A 9 1.545 11.554 3.574 1.00 0.00 O ATOM 121 CB GLU A 9 2.000 14.088 1.492 1.00 0.00 C ATOM 122 CG GLU A 9 0.795 14.596 0.682 1.00 0.00 C ATOM 123 CD GLU A 9 1.118 14.896 -0.774 1.00 0.00 C ATOM 124 OE1 GLU A 9 1.764 14.066 -1.453 1.00 0.00 O ATOM 125 OE2 GLU A 9 0.708 15.958 -1.266 1.00 0.00 O ATOM 0 H GLU A 9 1.918 12.727 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 9 3.221 12.345 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.885 14.417 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.901 14.563 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.001 13.850 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.407 15.500 1.152 1.00 0.00 H new ATOM 132 N GLU A 10 0.065 11.608 1.912 1.00 0.00 N ATOM 133 CA GLU A 10 -0.970 10.938 2.632 1.00 0.00 C ATOM 134 C GLU A 10 -0.600 9.472 2.799 1.00 0.00 C ATOM 135 O GLU A 10 -0.541 8.947 3.913 1.00 0.00 O ATOM 136 CB GLU A 10 -2.258 11.060 1.832 1.00 0.00 C ATOM 137 CG GLU A 10 -3.442 10.316 2.429 1.00 0.00 C ATOM 138 CD GLU A 10 -3.748 10.728 3.853 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.802 11.917 4.132 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.888 9.839 4.722 1.00 0.00 O ATOM 0 H GLU A 10 -0.194 11.861 0.958 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.100 11.382 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.516 12.115 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.081 10.687 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.322 10.490 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.241 9.245 2.403 1.00 0.00 H new ATOM 147 N LEU A 11 -0.316 8.848 1.682 1.00 0.00 N ATOM 148 CA LEU A 11 -0.006 7.431 1.596 1.00 0.00 C ATOM 149 C LEU A 11 1.201 7.011 2.452 1.00 0.00 C ATOM 150 O LEU A 11 1.206 5.923 3.003 1.00 0.00 O ATOM 151 CB LEU A 11 0.199 7.057 0.139 1.00 0.00 C ATOM 152 CG LEU A 11 -0.984 7.372 -0.782 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.638 7.085 -2.212 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.227 6.604 -0.371 1.00 0.00 C ATOM 0 H LEU A 11 -0.292 9.320 0.778 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.854 6.884 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.080 7.579 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.412 5.990 0.080 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.201 8.436 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.493 7.316 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.212 7.698 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.381 6.031 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.047 6.851 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.026 5.534 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.502 6.875 0.648 1.00 0.00 H new ATOM 166 N LYS A 12 2.206 7.869 2.573 1.00 0.00 N ATOM 167 CA LYS A 12 3.377 7.541 3.395 1.00 0.00 C ATOM 168 C LYS A 12 3.043 7.541 4.885 1.00 0.00 C ATOM 169 O LYS A 12 3.698 6.870 5.675 1.00 0.00 O ATOM 170 CB LYS A 12 4.561 8.482 3.130 1.00 0.00 C ATOM 171 CG LYS A 12 4.273 9.954 3.353 1.00 0.00 C ATOM 172 CD LYS A 12 5.548 10.784 3.402 1.00 0.00 C ATOM 173 CE LYS A 12 6.388 10.644 2.149 1.00 0.00 C ATOM 174 NZ LYS A 12 7.635 11.413 2.252 1.00 0.00 N ATOM 0 H LYS A 12 2.241 8.784 2.123 1.00 0.00 H new ATOM 0 HA LYS A 12 3.673 6.534 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.390 8.188 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.892 8.344 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.631 10.323 2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.723 10.078 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.288 11.833 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.140 10.482 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.620 9.592 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.817 10.987 1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.188 11.297 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.412 12.419 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.190 11.068 3.061 1.00 0.00 H new ATOM 188 N GLU A 13 2.032 8.298 5.254 1.00 0.00 N ATOM 189 CA GLU A 13 1.615 8.384 6.625 1.00 0.00 C ATOM 190 C GLU A 13 0.571 7.289 6.893 1.00 0.00 C ATOM 191 O GLU A 13 0.371 6.855 8.033 1.00 0.00 O ATOM 192 CB GLU A 13 1.059 9.792 6.883 1.00 0.00 C ATOM 193 CG GLU A 13 0.676 10.103 8.323 1.00 0.00 C ATOM 194 CD GLU A 13 1.854 10.019 9.265 1.00 0.00 C ATOM 195 OE1 GLU A 13 2.894 10.635 8.976 1.00 0.00 O ATOM 196 OE2 GLU A 13 1.756 9.340 10.323 1.00 0.00 O ATOM 0 H GLU A 13 1.482 8.867 4.610 1.00 0.00 H new ATOM 0 HA GLU A 13 2.450 8.223 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.803 10.520 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.180 9.935 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.245 11.103 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.096 9.406 8.649 1.00 0.00 H new ATOM 203 N MET A 14 -0.072 6.832 5.828 1.00 0.00 N ATOM 204 CA MET A 14 -1.046 5.755 5.923 1.00 0.00 C ATOM 205 C MET A 14 -0.349 4.448 6.137 1.00 0.00 C ATOM 206 O MET A 14 0.822 4.297 5.795 1.00 0.00 O ATOM 207 CB MET A 14 -1.892 5.606 4.646 1.00 0.00 C ATOM 208 CG MET A 14 -2.993 6.617 4.437 1.00 0.00 C ATOM 209 SD MET A 14 -3.986 6.211 2.976 1.00 0.00 S ATOM 210 CE MET A 14 -5.347 7.363 3.147 1.00 0.00 C ATOM 0 H MET A 14 0.065 7.193 4.884 1.00 0.00 H new ATOM 0 HA MET A 14 -1.697 6.011 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.222 5.651 3.787 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.340 4.612 4.649 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.634 6.648 5.318 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.561 7.611 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.291 6.828 3.046 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.302 7.837 4.128 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.277 8.126 2.372 1.00 0.00 H new ATOM 220 N ALA A 15 -1.048 3.514 6.707 1.00 0.00 N ATOM 221 CA ALA A 15 -0.553 2.183 6.795 1.00 0.00 C ATOM 222 C ALA A 15 -0.668 1.601 5.393 1.00 0.00 C ATOM 223 O ALA A 15 -1.730 1.712 4.761 1.00 0.00 O ATOM 224 CB ALA A 15 -1.383 1.393 7.797 1.00 0.00 C ATOM 0 H ALA A 15 -1.970 3.656 7.120 1.00 0.00 H new ATOM 0 HA ALA A 15 0.480 2.147 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.002 0.374 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.320 1.868 8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.423 1.371 7.471 1.00 0.00 H new ATOM 230 N LEU A 16 0.396 1.005 4.904 1.00 0.00 N ATOM 231 CA LEU A 16 0.446 0.523 3.526 1.00 0.00 C ATOM 232 C LEU A 16 -0.642 -0.504 3.180 1.00 0.00 C ATOM 233 O LEU A 16 -1.172 -0.503 2.059 1.00 0.00 O ATOM 234 CB LEU A 16 1.876 0.096 3.044 1.00 0.00 C ATOM 235 CG LEU A 16 2.680 -0.969 3.844 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.854 -1.443 3.011 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.242 -0.393 5.139 1.00 0.00 C ATOM 0 H LEU A 16 1.249 0.838 5.438 1.00 0.00 H new ATOM 0 HA LEU A 16 0.202 1.405 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.778 -0.272 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.486 0.998 3.001 1.00 0.00 H new ATOM 0 HG LEU A 16 1.997 -1.786 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.419 -2.189 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.488 -1.884 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.501 -0.597 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.797 -1.166 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.908 0.438 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.423 -0.039 5.765 1.00 0.00 H new ATOM 249 N VAL A 17 -1.022 -1.320 4.142 1.00 0.00 N ATOM 250 CA VAL A 17 -2.087 -2.293 3.933 1.00 0.00 C ATOM 251 C VAL A 17 -3.465 -1.584 3.787 1.00 0.00 C ATOM 252 O VAL A 17 -4.371 -2.078 3.095 1.00 0.00 O ATOM 253 CB VAL A 17 -2.137 -3.343 5.086 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.539 -2.723 6.420 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.030 -4.508 4.727 1.00 0.00 C ATOM 0 H VAL A 17 -0.613 -1.333 5.076 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.867 -2.822 3.006 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.123 -3.723 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.559 -3.495 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.817 -1.954 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.529 -2.275 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.044 -5.223 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.042 -4.147 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.649 -4.996 3.830 1.00 0.00 H new ATOM 265 N GLU A 18 -3.597 -0.404 4.387 1.00 0.00 N ATOM 266 CA GLU A 18 -4.844 0.338 4.340 1.00 0.00 C ATOM 267 C GLU A 18 -5.049 0.947 2.983 1.00 0.00 C ATOM 268 O GLU A 18 -6.157 0.939 2.462 1.00 0.00 O ATOM 269 CB GLU A 18 -4.930 1.399 5.432 1.00 0.00 C ATOM 270 CG GLU A 18 -4.988 0.823 6.834 1.00 0.00 C ATOM 271 CD GLU A 18 -6.077 -0.207 6.985 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.172 -0.052 6.379 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.842 -1.235 7.635 1.00 0.00 O ATOM 0 H GLU A 18 -2.852 0.056 4.911 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.648 -0.374 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.066 2.059 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.815 2.012 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.027 0.371 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.152 1.629 7.549 1.00 0.00 H new ATOM 280 N ILE A 19 -3.953 1.409 2.393 1.00 0.00 N ATOM 281 CA ILE A 19 -3.946 1.973 1.039 1.00 0.00 C ATOM 282 C ILE A 19 -4.544 0.943 0.083 1.00 0.00 C ATOM 283 O ILE A 19 -5.438 1.234 -0.718 1.00 0.00 O ATOM 284 CB ILE A 19 -2.478 2.256 0.590 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.791 3.241 1.548 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.416 2.757 -0.858 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.330 3.491 1.227 1.00 0.00 C ATOM 0 H ILE A 19 -3.036 1.405 2.839 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.520 2.899 1.029 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.935 1.312 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.326 4.190 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.869 2.858 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.378 2.943 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.839 2.003 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.987 3.681 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.085 4.196 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.220 2.552 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.244 3.905 0.222 1.00 0.00 H new ATOM 299 N ALA A 20 -4.075 -0.274 0.228 1.00 0.00 N ATOM 300 CA ALA A 20 -4.517 -1.363 -0.587 1.00 0.00 C ATOM 301 C ALA A 20 -5.967 -1.773 -0.275 1.00 0.00 C ATOM 302 O ALA A 20 -6.687 -2.203 -1.168 1.00 0.00 O ATOM 303 CB ALA A 20 -3.572 -2.514 -0.453 1.00 0.00 C ATOM 0 H ALA A 20 -3.372 -0.530 0.921 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.516 -1.032 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.914 -3.340 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.576 -2.206 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.536 -2.836 0.588 1.00 0.00 H new ATOM 309 N HIS A 21 -6.401 -1.624 0.987 1.00 0.00 N ATOM 310 CA HIS A 21 -7.809 -1.921 1.330 1.00 0.00 C ATOM 311 C HIS A 21 -8.716 -0.999 0.554 1.00 0.00 C ATOM 312 O HIS A 21 -9.680 -1.442 -0.086 1.00 0.00 O ATOM 313 CB HIS A 21 -8.142 -1.748 2.824 1.00 0.00 C ATOM 314 CG HIS A 21 -7.512 -2.713 3.765 1.00 0.00 C ATOM 315 ND1 HIS A 21 -7.068 -2.356 5.009 1.00 0.00 N ATOM 316 CD2 HIS A 21 -7.284 -4.035 3.662 1.00 0.00 C ATOM 317 CE1 HIS A 21 -6.589 -3.404 5.622 1.00 0.00 C ATOM 318 NE2 HIS A 21 -6.705 -4.432 4.834 1.00 0.00 N ATOM 0 H HIS A 21 -5.823 -1.311 1.767 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.961 -2.970 1.076 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.850 -0.741 3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.224 -1.815 2.942 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -7.106 -1.414 5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.515 -4.663 2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.167 -3.416 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -6.411 -5.383 5.056 1.00 0.00 H new ATOM 327 N GLU A 22 -8.372 0.284 0.587 1.00 0.00 N ATOM 328 CA GLU A 22 -9.116 1.320 -0.105 1.00 0.00 C ATOM 329 C GLU A 22 -9.133 1.033 -1.595 1.00 0.00 C ATOM 330 O GLU A 22 -10.158 1.142 -2.240 1.00 0.00 O ATOM 331 CB GLU A 22 -8.480 2.684 0.138 1.00 0.00 C ATOM 332 CG GLU A 22 -8.359 3.076 1.611 1.00 0.00 C ATOM 333 CD GLU A 22 -9.664 2.965 2.373 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.560 3.806 2.169 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.806 2.023 3.191 1.00 0.00 O ATOM 0 H GLU A 22 -7.562 0.633 1.100 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.136 1.329 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.486 2.692 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.068 3.442 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.613 2.440 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.994 4.101 1.678 1.00 0.00 H new ATOM 342 N LEU A 23 -7.983 0.624 -2.100 1.00 0.00 N ATOM 343 CA LEU A 23 -7.771 0.270 -3.505 1.00 0.00 C ATOM 344 C LEU A 23 -8.757 -0.818 -3.946 1.00 0.00 C ATOM 345 O LEU A 23 -9.383 -0.734 -5.027 1.00 0.00 O ATOM 346 CB LEU A 23 -6.327 -0.235 -3.644 1.00 0.00 C ATOM 347 CG LEU A 23 -5.810 -0.641 -5.023 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.912 0.513 -5.983 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.371 -1.039 -4.877 1.00 0.00 C ATOM 0 H LEU A 23 -7.141 0.524 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.937 1.140 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.668 0.545 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.215 -1.096 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.405 -1.467 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.540 0.207 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.954 0.821 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.317 1.348 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.975 -1.334 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.797 -0.196 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.294 -1.877 -4.184 1.00 0.00 H new ATOM 361 N PHE A 24 -8.918 -1.815 -3.118 1.00 0.00 N ATOM 362 CA PHE A 24 -9.803 -2.891 -3.438 1.00 0.00 C ATOM 363 C PHE A 24 -11.241 -2.576 -3.265 1.00 0.00 C ATOM 364 O PHE A 24 -12.036 -2.990 -4.076 1.00 0.00 O ATOM 365 CB PHE A 24 -9.413 -4.194 -2.797 1.00 0.00 C ATOM 366 CG PHE A 24 -8.221 -4.736 -3.458 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.315 -5.212 -4.740 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.013 -4.741 -2.836 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.221 -5.681 -5.387 1.00 0.00 C ATOM 370 CE2 PHE A 24 -5.905 -5.217 -3.470 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.008 -5.690 -4.758 1.00 0.00 C ATOM 0 H PHE A 24 -8.446 -1.900 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.675 -3.029 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.215 -4.043 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.235 -4.906 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.272 -5.213 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.930 -4.363 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.308 -6.048 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.951 -5.223 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.134 -6.067 -5.269 1.00 0.00 H new ATOM 381 N GLU A 25 -11.605 -1.844 -2.237 1.00 0.00 N ATOM 382 CA GLU A 25 -13.005 -1.504 -2.086 1.00 0.00 C ATOM 383 C GLU A 25 -13.417 -0.436 -3.119 1.00 0.00 C ATOM 384 O GLU A 25 -14.598 -0.277 -3.429 1.00 0.00 O ATOM 385 CB GLU A 25 -13.375 -1.096 -0.668 1.00 0.00 C ATOM 386 CG GLU A 25 -14.840 -1.379 -0.377 1.00 0.00 C ATOM 387 CD GLU A 25 -15.279 -0.976 0.991 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.955 -1.673 1.963 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.989 0.027 1.118 1.00 0.00 O ATOM 0 H GLU A 25 -10.980 -1.483 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.575 -2.412 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.750 -1.636 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.173 -0.034 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.453 -0.857 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.026 -2.445 -0.507 1.00 0.00 H new ATOM 396 N GLU A 26 -12.423 0.296 -3.629 1.00 0.00 N ATOM 397 CA GLU A 26 -12.620 1.272 -4.696 1.00 0.00 C ATOM 398 C GLU A 26 -13.057 0.559 -5.966 1.00 0.00 C ATOM 399 O GLU A 26 -14.042 0.927 -6.593 1.00 0.00 O ATOM 400 CB GLU A 26 -11.309 2.044 -4.978 1.00 0.00 C ATOM 401 CG GLU A 26 -11.392 3.034 -6.139 1.00 0.00 C ATOM 402 CD GLU A 26 -10.060 3.680 -6.468 1.00 0.00 C ATOM 403 OE1 GLU A 26 -9.301 3.117 -7.273 1.00 0.00 O ATOM 404 OE2 GLU A 26 -9.774 4.783 -5.937 1.00 0.00 O ATOM 0 H GLU A 26 -11.457 0.226 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.388 1.978 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.020 2.584 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.517 1.325 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.766 2.517 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.115 3.812 -5.894 1.00 0.00 H new ATOM 411 N HIS A 27 -12.324 -0.471 -6.327 1.00 0.00 N ATOM 412 CA HIS A 27 -12.607 -1.188 -7.564 1.00 0.00 C ATOM 413 C HIS A 27 -13.702 -2.218 -7.393 1.00 0.00 C ATOM 414 O HIS A 27 -14.539 -2.372 -8.275 1.00 0.00 O ATOM 415 CB HIS A 27 -11.346 -1.838 -8.137 1.00 0.00 C ATOM 416 CG HIS A 27 -10.301 -0.854 -8.553 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.096 -0.723 -7.911 1.00 0.00 N ATOM 418 CD2 HIS A 27 -10.280 0.044 -9.569 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.386 0.201 -8.511 1.00 0.00 C ATOM 420 NE2 HIS A 27 -9.076 0.683 -9.515 1.00 0.00 N ATOM 0 H HIS A 27 -11.534 -0.833 -5.792 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.964 -0.444 -8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.923 -2.511 -7.391 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.621 -2.449 -8.997 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.799 -1.260 -7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.068 0.220 -10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.393 0.514 -8.224 1.00 0.00 H new ATOM 429 N LYS A 28 -13.701 -2.890 -6.231 1.00 0.00 N ATOM 430 CA LYS A 28 -14.639 -3.981 -5.890 1.00 0.00 C ATOM 431 C LYS A 28 -14.386 -5.155 -6.825 1.00 0.00 C ATOM 432 O LYS A 28 -15.280 -5.925 -7.162 1.00 0.00 O ATOM 433 CB LYS A 28 -16.105 -3.492 -5.950 1.00 0.00 C ATOM 434 CG LYS A 28 -16.333 -2.248 -5.109 1.00 0.00 C ATOM 435 CD LYS A 28 -17.778 -1.804 -5.082 1.00 0.00 C ATOM 436 CE LYS A 28 -17.928 -0.490 -4.317 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.376 -0.570 -2.940 1.00 0.00 N ATOM 0 H LYS A 28 -13.036 -2.689 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.468 -4.309 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.373 -3.282 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.765 -4.287 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.000 -2.441 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.718 -1.437 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.144 -1.680 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.391 -2.574 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.421 0.305 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.983 -0.220 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.810 0.167 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.584 -1.505 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.346 -0.428 -2.970 1.00 0.00 H new ATOM 451 N LYS A 29 -13.115 -5.320 -7.159 1.00 0.00 N ATOM 452 CA LYS A 29 -12.645 -6.272 -8.126 1.00 0.00 C ATOM 453 C LYS A 29 -11.307 -6.773 -7.624 1.00 0.00 C ATOM 454 O LYS A 29 -10.530 -5.975 -7.089 1.00 0.00 O ATOM 455 CB LYS A 29 -12.429 -5.577 -9.496 1.00 0.00 C ATOM 456 CG LYS A 29 -13.673 -4.911 -10.091 1.00 0.00 C ATOM 457 CD LYS A 29 -14.742 -5.913 -10.521 1.00 0.00 C ATOM 458 CE LYS A 29 -14.530 -6.434 -11.945 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.261 -7.152 -12.138 1.00 0.00 N ATOM 0 H LYS A 29 -12.364 -4.770 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.366 -7.080 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.651 -4.822 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.057 -6.316 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.099 -4.228 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.379 -4.310 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.744 -6.754 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.723 -5.442 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.354 -7.099 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.569 -5.593 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.309 -7.713 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.482 -6.467 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.094 -7.785 -11.330 1.00 0.00 H new ATOM 473 N PRO A 30 -11.028 -8.075 -7.718 1.00 0.00 N ATOM 474 CA PRO A 30 -9.745 -8.628 -7.304 1.00 0.00 C ATOM 475 C PRO A 30 -8.662 -8.331 -8.328 1.00 0.00 C ATOM 476 O PRO A 30 -8.832 -8.588 -9.529 1.00 0.00 O ATOM 477 CB PRO A 30 -9.993 -10.135 -7.231 1.00 0.00 C ATOM 478 CG PRO A 30 -11.458 -10.325 -7.474 1.00 0.00 C ATOM 479 CD PRO A 30 -11.926 -9.117 -8.210 1.00 0.00 C ATOM 0 HA PRO A 30 -9.403 -8.202 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.402 -10.664 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.705 -10.531 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.641 -11.228 -8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.996 -10.438 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.846 -9.244 -9.290 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.969 -8.889 -7.992 1.00 0.00 H new ATOM 487 N VAL A 31 -7.570 -7.810 -7.866 1.00 0.00 N ATOM 488 CA VAL A 31 -6.481 -7.429 -8.727 1.00 0.00 C ATOM 489 C VAL A 31 -5.228 -8.163 -8.257 1.00 0.00 C ATOM 490 O VAL A 31 -5.011 -8.289 -7.046 1.00 0.00 O ATOM 491 CB VAL A 31 -6.240 -5.868 -8.699 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.129 -5.447 -9.645 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.521 -5.103 -9.028 1.00 0.00 C ATOM 0 H VAL A 31 -7.402 -7.633 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.723 -7.699 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.932 -5.619 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.997 -4.366 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.200 -5.940 -9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.391 -5.732 -10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.322 -4.032 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.866 -5.383 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.290 -5.348 -8.295 1.00 0.00 H new ATOM 503 N PRO A 32 -4.444 -8.745 -9.193 1.00 0.00 N ATOM 504 CA PRO A 32 -3.174 -9.408 -8.874 1.00 0.00 C ATOM 505 C PRO A 32 -2.261 -8.504 -8.046 1.00 0.00 C ATOM 506 O PRO A 32 -2.212 -7.275 -8.278 1.00 0.00 O ATOM 507 CB PRO A 32 -2.560 -9.659 -10.252 1.00 0.00 C ATOM 508 CG PRO A 32 -3.728 -9.787 -11.154 1.00 0.00 C ATOM 509 CD PRO A 32 -4.756 -8.831 -10.636 1.00 0.00 C ATOM 0 HA PRO A 32 -3.311 -10.312 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.912 -8.837 -10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.952 -10.563 -10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.455 -9.548 -12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.110 -10.808 -11.155 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.682 -7.858 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.768 -9.197 -10.808 1.00 0.00 H new ATOM 517 N PHE A 33 -1.555 -9.111 -7.095 1.00 0.00 N ATOM 518 CA PHE A 33 -0.649 -8.423 -6.175 1.00 0.00 C ATOM 519 C PHE A 33 0.285 -7.447 -6.898 1.00 0.00 C ATOM 520 O PHE A 33 0.440 -6.305 -6.487 1.00 0.00 O ATOM 521 CB PHE A 33 0.131 -9.468 -5.348 1.00 0.00 C ATOM 522 CG PHE A 33 1.172 -8.939 -4.427 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.810 -8.403 -3.213 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.512 -9.007 -4.754 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.759 -7.938 -2.341 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.465 -8.538 -3.885 1.00 0.00 C ATOM 527 CZ PHE A 33 3.082 -8.001 -2.668 1.00 0.00 C ATOM 0 H PHE A 33 -1.597 -10.118 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.244 -7.811 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.585 -10.042 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.607 -10.164 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.235 -8.348 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.812 -9.432 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.459 -7.520 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.511 -8.588 -4.150 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.828 -7.633 -1.979 1.00 0.00 H new ATOM 537 N GLN A 34 0.828 -7.875 -7.998 1.00 0.00 N ATOM 538 CA GLN A 34 1.745 -7.060 -8.766 1.00 0.00 C ATOM 539 C GLN A 34 1.060 -5.839 -9.396 1.00 0.00 C ATOM 540 O GLN A 34 1.630 -4.742 -9.425 1.00 0.00 O ATOM 541 CB GLN A 34 2.401 -7.909 -9.846 1.00 0.00 C ATOM 542 CG GLN A 34 3.233 -9.049 -9.290 1.00 0.00 C ATOM 543 CD GLN A 34 4.408 -8.590 -8.439 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.038 -7.498 -8.808 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 4.783 -9.257 -7.492 1.00 0.00 N flip ATOM 0 H GLN A 34 0.653 -8.798 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 34 2.501 -6.681 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.628 -8.317 -10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.035 -7.273 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.592 -9.696 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.608 -9.651 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.273 -10.100 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.607 -8.972 -6.962 1.00 0.00 H new ATOM 554 N GLU A 35 -0.178 -6.011 -9.811 1.00 0.00 N ATOM 555 CA GLU A 35 -0.878 -5.005 -10.571 1.00 0.00 C ATOM 556 C GLU A 35 -1.429 -3.926 -9.681 1.00 0.00 C ATOM 557 O GLU A 35 -1.462 -2.744 -10.061 1.00 0.00 O ATOM 558 CB GLU A 35 -1.955 -5.652 -11.425 1.00 0.00 C ATOM 559 CG GLU A 35 -1.384 -6.593 -12.471 1.00 0.00 C ATOM 560 CD GLU A 35 -0.555 -5.864 -13.504 1.00 0.00 C ATOM 561 OE1 GLU A 35 0.613 -5.528 -13.240 1.00 0.00 O ATOM 562 OE2 GLU A 35 -1.077 -5.590 -14.595 1.00 0.00 O ATOM 0 H GLU A 35 -0.724 -6.853 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.169 -4.517 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.641 -6.203 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.537 -4.875 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.769 -7.348 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.199 -7.119 -12.967 1.00 0.00 H new ATOM 569 N LEU A 36 -1.829 -4.320 -8.482 1.00 0.00 N ATOM 570 CA LEU A 36 -2.349 -3.381 -7.511 1.00 0.00 C ATOM 571 C LEU A 36 -1.222 -2.422 -7.117 1.00 0.00 C ATOM 572 O LEU A 36 -1.416 -1.225 -7.000 1.00 0.00 O ATOM 573 CB LEU A 36 -2.962 -4.141 -6.283 1.00 0.00 C ATOM 574 CG LEU A 36 -2.000 -4.860 -5.303 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.487 -3.916 -4.232 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.651 -6.067 -4.666 1.00 0.00 C ATOM 0 H LEU A 36 -1.802 -5.288 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.163 -2.795 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.546 -3.423 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.660 -4.885 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.150 -5.203 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.816 -4.455 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.948 -3.092 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.328 -3.522 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.946 -6.544 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.535 -5.753 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.943 -6.775 -5.442 1.00 0.00 H new ATOM 588 N LEU A 37 -0.026 -2.977 -7.004 1.00 0.00 N ATOM 589 CA LEU A 37 1.157 -2.231 -6.653 1.00 0.00 C ATOM 590 C LEU A 37 1.560 -1.295 -7.765 1.00 0.00 C ATOM 591 O LEU A 37 2.065 -0.216 -7.513 1.00 0.00 O ATOM 592 CB LEU A 37 2.280 -3.195 -6.337 1.00 0.00 C ATOM 593 CG LEU A 37 2.107 -3.983 -5.051 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.021 -5.175 -5.047 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.395 -3.092 -3.850 1.00 0.00 C ATOM 0 H LEU A 37 0.146 -3.971 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 37 0.942 -1.623 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.380 -3.897 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.214 -2.635 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 37 1.077 -4.334 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.888 -5.732 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.784 -5.818 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.056 -4.840 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.268 -3.666 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.419 -2.722 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.704 -2.249 -3.849 1.00 0.00 H new ATOM 607 N ASN A 38 1.317 -1.702 -8.989 1.00 0.00 N ATOM 608 CA ASN A 38 1.658 -0.876 -10.134 1.00 0.00 C ATOM 609 C ASN A 38 0.859 0.408 -10.160 1.00 0.00 C ATOM 610 O ASN A 38 1.427 1.506 -10.346 1.00 0.00 O ATOM 611 CB ASN A 38 1.585 -1.655 -11.465 1.00 0.00 C ATOM 612 CG ASN A 38 2.774 -2.593 -11.606 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.835 -2.310 -11.087 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.622 -3.703 -12.265 1.00 0.00 N ATOM 0 H ASN A 38 0.886 -2.597 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 38 2.702 -0.587 -10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.658 -2.227 -11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.566 -0.956 -12.301 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.402 -4.355 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.723 -3.923 -12.694 1.00 0.00 H new ATOM 621 N GLU A 39 -0.435 0.313 -9.903 1.00 0.00 N ATOM 622 CA GLU A 39 -1.234 1.519 -9.861 1.00 0.00 C ATOM 623 C GLU A 39 -0.920 2.330 -8.617 1.00 0.00 C ATOM 624 O GLU A 39 -0.947 3.562 -8.656 1.00 0.00 O ATOM 625 CB GLU A 39 -2.729 1.262 -10.025 1.00 0.00 C ATOM 626 CG GLU A 39 -3.388 0.399 -8.981 1.00 0.00 C ATOM 627 CD GLU A 39 -4.836 0.180 -9.316 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.641 1.127 -9.179 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.183 -0.923 -9.785 1.00 0.00 O ATOM 0 H GLU A 39 -0.938 -0.556 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.953 2.114 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.239 2.225 -10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.889 0.799 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.874 -0.560 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.303 0.872 -8.003 1.00 0.00 H new ATOM 636 N ILE A 40 -0.577 1.637 -7.524 1.00 0.00 N ATOM 637 CA ILE A 40 -0.149 2.307 -6.311 1.00 0.00 C ATOM 638 C ILE A 40 1.087 3.143 -6.580 1.00 0.00 C ATOM 639 O ILE A 40 1.079 4.291 -6.298 1.00 0.00 O ATOM 640 CB ILE A 40 0.103 1.336 -5.112 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.216 0.722 -4.647 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.794 2.055 -3.942 1.00 0.00 C ATOM 643 CD1 ILE A 40 -1.068 -0.279 -3.521 1.00 0.00 C ATOM 0 H ILE A 40 -0.590 0.619 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.975 2.952 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 40 0.767 0.543 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.882 1.521 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.695 0.231 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.954 1.351 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.754 2.450 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.164 2.875 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.049 -0.668 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.429 -1.100 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.619 0.210 -2.656 1.00 0.00 H new ATOM 655 N ALA A 41 2.106 2.562 -7.198 1.00 0.00 N ATOM 656 CA ALA A 41 3.363 3.281 -7.483 1.00 0.00 C ATOM 657 C ALA A 41 3.151 4.496 -8.365 1.00 0.00 C ATOM 658 O ALA A 41 3.957 5.412 -8.368 1.00 0.00 O ATOM 659 CB ALA A 41 4.401 2.373 -8.097 1.00 0.00 C ATOM 0 H ALA A 41 2.097 1.593 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 41 3.732 3.630 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.311 2.940 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.622 1.556 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.020 1.966 -9.034 1.00 0.00 H new ATOM 665 N SER A 42 2.167 4.440 -9.214 1.00 0.00 N ATOM 666 CA SER A 42 1.816 5.607 -9.989 1.00 0.00 C ATOM 667 C SER A 42 1.073 6.657 -9.138 1.00 0.00 C ATOM 668 O SER A 42 1.379 7.852 -9.209 1.00 0.00 O ATOM 669 CB SER A 42 1.054 5.218 -11.264 1.00 0.00 C ATOM 670 OG SER A 42 0.801 6.332 -12.112 1.00 0.00 O ATOM 0 H SER A 42 1.596 3.613 -9.390 1.00 0.00 H new ATOM 0 HA SER A 42 2.740 6.086 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.629 4.472 -11.813 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.107 4.753 -10.989 1.00 0.00 H new ATOM 0 HG SER A 42 0.316 6.033 -12.909 1.00 0.00 H new ATOM 676 N LEU A 43 0.087 6.223 -8.381 1.00 0.00 N ATOM 677 CA LEU A 43 -0.728 7.126 -7.579 1.00 0.00 C ATOM 678 C LEU A 43 0.109 7.702 -6.425 1.00 0.00 C ATOM 679 O LEU A 43 0.073 8.907 -6.130 1.00 0.00 O ATOM 680 CB LEU A 43 -1.992 6.370 -7.106 1.00 0.00 C ATOM 681 CG LEU A 43 -3.136 7.181 -6.473 1.00 0.00 C ATOM 682 CD1 LEU A 43 -2.837 7.571 -5.039 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.439 8.420 -7.314 1.00 0.00 C ATOM 0 H LEU A 43 -0.175 5.241 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.062 7.980 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.399 5.835 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.678 5.618 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.017 6.539 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.673 8.142 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.689 6.672 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.934 8.180 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.250 8.983 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.549 9.047 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.734 8.115 -8.318 1.00 0.00 H new ATOM 695 N LEU A 44 0.868 6.847 -5.821 1.00 0.00 N ATOM 696 CA LEU A 44 1.792 7.189 -4.785 1.00 0.00 C ATOM 697 C LEU A 44 2.963 7.780 -5.526 1.00 0.00 C ATOM 698 O LEU A 44 3.566 7.102 -6.306 1.00 0.00 O ATOM 699 CB LEU A 44 2.227 5.883 -4.070 1.00 0.00 C ATOM 700 CG LEU A 44 2.798 5.928 -2.640 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.269 4.537 -2.248 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.923 6.924 -2.486 1.00 0.00 C ATOM 0 H LEU A 44 0.862 5.852 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 44 1.385 7.870 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.360 5.223 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.976 5.405 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 44 2.000 6.261 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.674 4.562 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.428 3.844 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.043 4.206 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.283 6.910 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.738 6.660 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.561 7.923 -2.729 1.00 0.00 H new ATOM 714 N GLY A 45 3.189 9.050 -5.345 1.00 0.00 N ATOM 715 CA GLY A 45 4.285 9.779 -6.026 1.00 0.00 C ATOM 716 C GLY A 45 5.718 9.254 -5.772 1.00 0.00 C ATOM 717 O GLY A 45 6.563 9.975 -5.249 1.00 0.00 O ATOM 0 H GLY A 45 2.630 9.635 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.097 9.755 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.244 10.824 -5.719 1.00 0.00 H new ATOM 721 N VAL A 46 5.979 8.034 -6.168 1.00 0.00 N ATOM 722 CA VAL A 46 7.274 7.381 -6.055 1.00 0.00 C ATOM 723 C VAL A 46 7.511 6.558 -7.307 1.00 0.00 C ATOM 724 O VAL A 46 6.784 6.704 -8.299 1.00 0.00 O ATOM 725 CB VAL A 46 7.362 6.429 -4.815 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.308 7.201 -3.509 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.268 5.352 -4.866 1.00 0.00 C ATOM 0 H VAL A 46 5.271 7.438 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 46 8.026 8.160 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 46 8.330 5.929 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.372 6.505 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.143 7.900 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.370 7.753 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.353 4.705 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.288 5.829 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.386 4.757 -5.771 1.00 0.00 H new ATOM 737 N LYS A 47 8.522 5.719 -7.277 1.00 0.00 N ATOM 738 CA LYS A 47 8.775 4.822 -8.370 1.00 0.00 C ATOM 739 C LYS A 47 8.728 3.365 -7.933 1.00 0.00 C ATOM 740 O LYS A 47 8.935 3.040 -6.762 1.00 0.00 O ATOM 741 CB LYS A 47 10.061 5.167 -9.142 1.00 0.00 C ATOM 742 CG LYS A 47 11.313 5.346 -8.311 1.00 0.00 C ATOM 743 CD LYS A 47 12.496 5.717 -9.197 1.00 0.00 C ATOM 744 CE LYS A 47 13.749 6.076 -8.395 1.00 0.00 C ATOM 745 NZ LYS A 47 14.201 4.973 -7.530 1.00 0.00 N ATOM 0 H LYS A 47 9.181 5.643 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 47 7.959 4.963 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.244 4.378 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.888 6.086 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.153 6.124 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.532 4.425 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.722 4.883 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.220 6.562 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.551 6.347 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.545 6.954 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.216 5.081 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.670 4.993 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.036 4.065 -8.010 1.00 0.00 H new ATOM 759 N LYS A 48 8.467 2.517 -8.896 1.00 0.00 N ATOM 760 CA LYS A 48 8.291 1.070 -8.743 1.00 0.00 C ATOM 761 C LYS A 48 9.419 0.370 -7.941 1.00 0.00 C ATOM 762 O LYS A 48 9.151 -0.550 -7.198 1.00 0.00 O ATOM 763 CB LYS A 48 8.177 0.471 -10.147 1.00 0.00 C ATOM 764 CG LYS A 48 8.070 -1.038 -10.238 1.00 0.00 C ATOM 765 CD LYS A 48 6.775 -1.599 -9.655 1.00 0.00 C ATOM 766 CE LYS A 48 6.596 -3.048 -10.092 1.00 0.00 C ATOM 767 NZ LYS A 48 5.481 -3.720 -9.418 1.00 0.00 N ATOM 0 H LYS A 48 8.363 2.820 -9.864 1.00 0.00 H new ATOM 0 HA LYS A 48 7.389 0.901 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.302 0.904 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.048 0.785 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.146 -1.336 -11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.916 -1.485 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.799 -1.538 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.927 -1.002 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.433 -3.078 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.516 -3.597 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.589 -4.750 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.479 -3.463 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.584 -3.425 -9.853 1.00 0.00 H new ATOM 781 N GLU A 49 10.649 0.835 -8.090 1.00 0.00 N ATOM 782 CA GLU A 49 11.830 0.199 -7.453 1.00 0.00 C ATOM 783 C GLU A 49 11.749 0.243 -5.934 1.00 0.00 C ATOM 784 O GLU A 49 11.835 -0.783 -5.249 1.00 0.00 O ATOM 785 CB GLU A 49 13.075 0.927 -7.873 1.00 0.00 C ATOM 786 CG GLU A 49 13.195 1.108 -9.352 1.00 0.00 C ATOM 787 CD GLU A 49 14.409 1.880 -9.709 1.00 0.00 C ATOM 788 OE1 GLU A 49 14.511 3.036 -9.293 1.00 0.00 O ATOM 789 OE2 GLU A 49 15.258 1.354 -10.437 1.00 0.00 O ATOM 0 H GLU A 49 10.874 1.658 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 49 11.852 -0.843 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.092 1.906 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.945 0.379 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.227 0.133 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.311 1.623 -9.729 1.00 0.00 H new ATOM 796 N GLU A 50 11.559 1.434 -5.421 1.00 0.00 N ATOM 797 CA GLU A 50 11.495 1.660 -3.988 1.00 0.00 C ATOM 798 C GLU A 50 10.219 1.095 -3.423 1.00 0.00 C ATOM 799 O GLU A 50 10.162 0.645 -2.263 1.00 0.00 O ATOM 800 CB GLU A 50 11.660 3.136 -3.707 1.00 0.00 C ATOM 801 CG GLU A 50 10.760 4.015 -4.545 1.00 0.00 C ATOM 802 CD GLU A 50 11.408 5.317 -4.839 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.475 5.303 -5.474 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.874 6.371 -4.474 1.00 0.00 O ATOM 0 H GLU A 50 11.444 2.278 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 50 12.310 1.137 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.456 3.322 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.698 3.418 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.517 3.507 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.820 4.184 -4.020 1.00 0.00 H new ATOM 811 N LEU A 51 9.191 1.073 -4.253 1.00 0.00 N ATOM 812 CA LEU A 51 7.992 0.422 -3.867 1.00 0.00 C ATOM 813 C LEU A 51 8.234 -1.074 -3.860 1.00 0.00 C ATOM 814 O LEU A 51 7.567 -1.753 -3.193 1.00 0.00 O ATOM 815 CB LEU A 51 6.802 0.750 -4.775 1.00 0.00 C ATOM 816 CG LEU A 51 5.474 0.091 -4.340 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.965 0.670 -3.032 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.427 0.185 -5.407 1.00 0.00 C ATOM 0 H LEU A 51 9.179 1.497 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 51 7.728 0.785 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.667 1.831 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.036 0.433 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 51 5.686 -0.966 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.030 0.182 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.704 0.504 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.795 1.740 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.510 -0.291 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.230 1.233 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.779 -0.319 -6.307 1.00 0.00 H new ATOM 830 N GLY A 52 9.226 -1.540 -4.622 1.00 0.00 N ATOM 831 CA GLY A 52 9.594 -2.955 -4.687 1.00 0.00 C ATOM 832 C GLY A 52 10.125 -3.459 -3.370 1.00 0.00 C ATOM 833 O GLY A 52 9.751 -4.560 -2.898 1.00 0.00 O ATOM 0 H GLY A 52 9.800 -0.941 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.723 -3.544 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.348 -3.099 -5.461 1.00 0.00 H new ATOM 837 N ASP A 53 10.979 -2.658 -2.754 1.00 0.00 N ATOM 838 CA ASP A 53 11.484 -2.969 -1.401 1.00 0.00 C ATOM 839 C ASP A 53 10.281 -3.069 -0.483 1.00 0.00 C ATOM 840 O ASP A 53 10.076 -4.048 0.284 1.00 0.00 O ATOM 841 CB ASP A 53 12.390 -1.839 -0.872 1.00 0.00 C ATOM 842 CG ASP A 53 13.546 -1.509 -1.775 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.476 -2.333 -1.897 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.559 -0.405 -2.364 1.00 0.00 O ATOM 0 H ASP A 53 11.342 -1.793 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 53 12.061 -3.893 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.788 -0.942 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.776 -2.125 0.106 1.00 0.00 H new ATOM 849 N ARG A 54 9.432 -2.093 -0.659 1.00 0.00 N ATOM 850 CA ARG A 54 8.230 -1.950 0.095 1.00 0.00 C ATOM 851 C ARG A 54 7.211 -3.059 -0.269 1.00 0.00 C ATOM 852 O ARG A 54 6.307 -3.276 0.456 1.00 0.00 O ATOM 853 CB ARG A 54 7.672 -0.559 -0.167 1.00 0.00 C ATOM 854 CG ARG A 54 6.666 -0.041 0.836 1.00 0.00 C ATOM 855 CD ARG A 54 6.357 1.404 0.516 1.00 0.00 C ATOM 856 NE ARG A 54 5.619 2.104 1.564 1.00 0.00 N ATOM 857 CZ ARG A 54 5.622 3.442 1.692 1.00 0.00 C ATOM 858 NH1 ARG A 54 6.259 4.197 0.791 1.00 0.00 N ATOM 859 NH2 ARG A 54 4.989 4.019 2.697 1.00 0.00 N ATOM 0 H ARG A 54 9.567 -1.357 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 54 8.436 -2.062 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.506 0.142 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.205 -0.558 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.755 -0.639 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.063 -0.127 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.293 1.932 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.780 1.445 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 54 5.077 1.553 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.742 3.758 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.262 5.212 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.494 3.449 3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.996 5.035 2.788 1.00 0.00 H new ATOM 873 N ILE A 55 7.414 -3.744 -1.405 1.00 0.00 N ATOM 874 CA ILE A 55 6.568 -4.860 -1.877 1.00 0.00 C ATOM 875 C ILE A 55 6.810 -6.048 -1.022 1.00 0.00 C ATOM 876 O ILE A 55 5.876 -6.731 -0.624 1.00 0.00 O ATOM 877 CB ILE A 55 6.837 -5.223 -3.392 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.287 -4.133 -4.319 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.288 -6.596 -3.774 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.452 -4.409 -5.808 1.00 0.00 C ATOM 0 H ILE A 55 8.187 -3.536 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 55 5.527 -4.544 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 55 7.919 -5.274 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.227 -3.997 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.783 -3.192 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.501 -6.793 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.761 -7.361 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.210 -6.615 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.032 -3.581 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.511 -4.513 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.931 -5.330 -6.067 1.00 0.00 H new ATOM 892 N ALA A 56 8.061 -6.284 -0.711 1.00 0.00 N ATOM 893 CA ALA A 56 8.389 -7.384 0.172 1.00 0.00 C ATOM 894 C ALA A 56 7.808 -7.119 1.559 1.00 0.00 C ATOM 895 O ALA A 56 7.184 -8.010 2.178 1.00 0.00 O ATOM 896 CB ALA A 56 9.879 -7.596 0.238 1.00 0.00 C ATOM 0 H ALA A 56 8.858 -5.743 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 56 7.948 -8.299 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.099 -8.428 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.259 -7.822 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.359 -6.692 0.613 1.00 0.00 H new ATOM 902 N GLN A 57 7.951 -5.882 2.016 1.00 0.00 N ATOM 903 CA GLN A 57 7.415 -5.506 3.320 1.00 0.00 C ATOM 904 C GLN A 57 5.861 -5.593 3.292 1.00 0.00 C ATOM 905 O GLN A 57 5.233 -6.166 4.172 1.00 0.00 O ATOM 906 CB GLN A 57 7.883 -4.093 3.691 1.00 0.00 C ATOM 907 CG GLN A 57 8.202 -3.898 5.175 1.00 0.00 C ATOM 908 CD GLN A 57 7.055 -4.235 6.103 1.00 0.00 C ATOM 909 OE1 GLN A 57 6.229 -3.380 6.421 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.991 -5.459 6.541 1.00 0.00 N ATOM 0 H GLN A 57 8.425 -5.132 1.514 1.00 0.00 H new ATOM 0 HA GLN A 57 7.785 -6.195 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.772 -3.854 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.110 -3.381 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.060 -4.518 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.496 -2.861 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.694 -6.140 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.238 -5.737 7.170 1.00 0.00 H new ATOM 919 N PHE A 58 5.283 -5.066 2.231 1.00 0.00 N ATOM 920 CA PHE A 58 3.838 -5.050 1.987 1.00 0.00 C ATOM 921 C PHE A 58 3.290 -6.466 1.917 1.00 0.00 C ATOM 922 O PHE A 58 2.163 -6.719 2.295 1.00 0.00 O ATOM 923 CB PHE A 58 3.578 -4.307 0.669 1.00 0.00 C ATOM 924 CG PHE A 58 2.158 -4.175 0.236 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.307 -3.268 0.836 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.691 -4.932 -0.808 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.013 -3.131 0.396 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.402 -4.808 -1.249 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.439 -3.907 -0.651 1.00 0.00 C ATOM 0 H PHE A 58 5.816 -4.620 1.485 1.00 0.00 H new ATOM 0 HA PHE A 58 3.331 -4.541 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.000 -3.306 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.127 -4.818 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.661 -2.662 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.352 -5.638 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.648 -2.419 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.048 -5.419 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.456 -3.804 -0.999 1.00 0.00 H new ATOM 939 N TYR A 59 4.113 -7.374 1.443 1.00 0.00 N ATOM 940 CA TYR A 59 3.768 -8.771 1.328 1.00 0.00 C ATOM 941 C TYR A 59 3.471 -9.294 2.725 1.00 0.00 C ATOM 942 O TYR A 59 2.382 -9.818 2.987 1.00 0.00 O ATOM 943 CB TYR A 59 4.961 -9.523 0.747 1.00 0.00 C ATOM 944 CG TYR A 59 4.629 -10.747 -0.040 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.248 -11.937 0.562 1.00 0.00 C ATOM 946 CD2 TYR A 59 4.708 -10.703 -1.410 1.00 0.00 C ATOM 947 CE1 TYR A 59 3.954 -13.047 -0.202 1.00 0.00 C ATOM 948 CE2 TYR A 59 4.425 -11.784 -2.178 1.00 0.00 C ATOM 949 CZ TYR A 59 4.044 -12.965 -1.577 1.00 0.00 C ATOM 950 OH TYR A 59 3.760 -14.067 -2.351 1.00 0.00 O ATOM 0 H TYR A 59 5.057 -7.158 1.121 1.00 0.00 H new ATOM 0 HA TYR A 59 2.902 -8.908 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.521 -8.841 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.623 -9.807 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.181 -11.995 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.004 -9.782 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.656 -13.971 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.498 -11.720 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 59 3.871 -13.839 -3.298 1.00 0.00 H new ATOM 960 N THR A 60 4.431 -9.086 3.620 1.00 0.00 N ATOM 961 CA THR A 60 4.306 -9.468 5.019 1.00 0.00 C ATOM 962 C THR A 60 3.104 -8.750 5.651 1.00 0.00 C ATOM 963 O THR A 60 2.284 -9.351 6.370 1.00 0.00 O ATOM 964 CB THR A 60 5.576 -9.028 5.755 1.00 0.00 C ATOM 965 OG1 THR A 60 6.718 -9.536 5.059 1.00 0.00 O ATOM 966 CG2 THR A 60 5.590 -9.509 7.199 1.00 0.00 C ATOM 0 H THR A 60 5.322 -8.645 3.392 1.00 0.00 H new ATOM 0 HA THR A 60 4.166 -10.546 5.093 1.00 0.00 H new ATOM 0 HB THR A 60 5.600 -7.938 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.535 -9.257 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.507 -9.176 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.730 -9.098 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.543 -10.598 7.220 1.00 0.00 H new ATOM 974 N ASP A 61 2.992 -7.487 5.314 1.00 0.00 N ATOM 975 CA ASP A 61 1.977 -6.591 5.834 1.00 0.00 C ATOM 976 C ASP A 61 0.565 -7.058 5.457 1.00 0.00 C ATOM 977 O ASP A 61 -0.377 -6.898 6.231 1.00 0.00 O ATOM 978 CB ASP A 61 2.258 -5.181 5.327 1.00 0.00 C ATOM 979 CG ASP A 61 1.536 -4.121 6.093 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.720 -4.054 7.336 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.859 -3.293 5.494 1.00 0.00 O ATOM 0 H ASP A 61 3.622 -7.037 4.650 1.00 0.00 H new ATOM 0 HA ASP A 61 2.019 -6.594 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.330 -4.991 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.974 -5.117 4.277 1.00 0.00 H new ATOM 986 N LEU A 62 0.433 -7.669 4.283 1.00 0.00 N ATOM 987 CA LEU A 62 -0.847 -8.234 3.854 1.00 0.00 C ATOM 988 C LEU A 62 -1.137 -9.517 4.609 1.00 0.00 C ATOM 989 O LEU A 62 -2.283 -9.809 4.946 1.00 0.00 O ATOM 990 CB LEU A 62 -0.860 -8.583 2.362 1.00 0.00 C ATOM 991 CG LEU A 62 -0.605 -7.480 1.352 1.00 0.00 C ATOM 992 CD1 LEU A 62 -0.805 -8.007 -0.029 1.00 0.00 C ATOM 993 CD2 LEU A 62 -1.512 -6.322 1.558 1.00 0.00 C ATOM 0 H LEU A 62 1.193 -7.786 3.612 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.597 -7.470 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.113 -9.360 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.831 -9.021 2.134 1.00 0.00 H new ATOM 0 HG LEU A 62 0.422 -7.142 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.621 -7.212 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.112 -8.829 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.829 -8.366 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.297 -5.555 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.547 -6.648 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.359 -5.913 2.557 1.00 0.00 H new ATOM 1005 N ASN A 63 -0.093 -10.288 4.856 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.217 -11.596 5.506 1.00 0.00 C ATOM 1007 C ASN A 63 -0.731 -11.451 6.936 1.00 0.00 C ATOM 1008 O ASN A 63 -1.548 -12.251 7.401 1.00 0.00 O ATOM 1009 CB ASN A 63 1.134 -12.360 5.509 1.00 0.00 C ATOM 1010 CG ASN A 63 1.721 -12.652 4.122 1.00 0.00 C ATOM 1011 OD1 ASN A 63 2.935 -12.679 3.949 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.887 -12.926 3.147 1.00 0.00 N ATOM 0 H ASN A 63 0.865 -10.033 4.616 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.938 -12.174 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.860 -11.780 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.998 -13.305 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.245 -13.168 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.119 -12.898 3.313 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.293 -10.401 7.607 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.667 -10.153 9.005 1.00 0.00 C ATOM 1021 C ILE A 64 -1.975 -9.353 9.134 1.00 0.00 C ATOM 1022 O ILE A 64 -2.379 -8.989 10.235 1.00 0.00 O ATOM 1023 CB ILE A 64 0.462 -9.424 9.787 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.797 -8.071 9.137 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.701 -10.307 9.878 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.860 -7.271 9.864 1.00 0.00 C ATOM 0 H ILE A 64 0.328 -9.696 7.210 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.824 -11.138 9.444 1.00 0.00 H new ATOM 0 HB ILE A 64 0.106 -9.227 10.798 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.128 -8.246 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.113 -7.474 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.482 -9.782 10.428 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.451 -11.233 10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.057 -10.538 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.033 -6.333 9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.526 -7.060 10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.787 -7.844 9.898 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.634 -9.109 8.029 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.879 -8.352 8.032 1.00 0.00 C ATOM 1040 C ASP A 65 -5.053 -9.276 7.760 1.00 0.00 C ATOM 1041 O ASP A 65 -5.000 -10.110 6.850 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.828 -7.223 7.001 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.132 -6.462 6.884 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.443 -5.627 7.751 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.880 -6.695 5.920 1.00 0.00 O ATOM 0 H ASP A 65 -2.334 -9.422 7.106 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.011 -7.903 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.033 -6.529 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.570 -7.640 6.028 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.103 -9.141 8.542 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.255 -10.010 8.394 1.00 0.00 C ATOM 1052 C GLY A 66 -8.324 -9.418 7.499 1.00 0.00 C ATOM 1053 O GLY A 66 -9.338 -10.052 7.225 1.00 0.00 O ATOM 0 H GLY A 66 -6.185 -8.444 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.933 -10.967 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.681 -10.212 9.377 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.110 -8.209 7.038 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.070 -7.542 6.169 1.00 0.00 C ATOM 1059 C ARG A 67 -8.769 -7.924 4.713 1.00 0.00 C ATOM 1060 O ARG A 67 -9.630 -7.853 3.838 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.993 -6.024 6.365 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.266 -5.546 7.792 1.00 0.00 C ATOM 1063 CD ARG A 67 -10.743 -5.607 8.150 1.00 0.00 C ATOM 1064 NE ARG A 67 -11.525 -4.602 7.410 1.00 0.00 N ATOM 1065 CZ ARG A 67 -12.862 -4.526 7.374 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -13.617 -5.480 7.929 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -13.439 -3.495 6.759 1.00 0.00 N ATOM 0 H ARG A 67 -7.277 -7.659 7.247 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.082 -7.859 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.002 -5.683 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.709 -5.549 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.699 -6.159 8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.910 -4.522 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.130 -6.602 7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.865 -5.446 9.221 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.004 -3.904 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.176 -6.278 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.634 -5.410 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.864 -2.775 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.456 -3.426 6.725 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.536 -8.319 4.479 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.091 -8.803 3.196 1.00 0.00 C ATOM 1083 C PHE A 68 -7.268 -10.280 3.054 1.00 0.00 C ATOM 1084 O PHE A 68 -7.313 -11.019 4.041 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.630 -8.464 2.948 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.490 -7.369 1.979 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.813 -7.581 0.663 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.088 -6.130 2.370 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.736 -6.579 -0.246 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.014 -5.109 1.465 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.339 -5.340 0.151 1.00 0.00 C ATOM 0 H PHE A 68 -6.804 -8.311 5.190 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.715 -8.301 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.156 -8.182 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.108 -9.347 2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.134 -8.562 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.826 -5.952 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.988 -6.763 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.701 -4.125 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.279 -4.537 -0.568 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.407 -10.704 1.839 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.445 -12.086 1.515 1.00 0.00 C ATOM 1103 C LEU A 69 -6.912 -12.271 0.128 1.00 0.00 C ATOM 1104 O LEU A 69 -7.337 -11.569 -0.800 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.864 -12.646 1.576 1.00 0.00 C ATOM 1106 CG LEU A 69 -8.987 -14.145 1.273 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.288 -14.986 2.332 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.429 -14.547 1.134 1.00 0.00 C ATOM 0 H LEU A 69 -7.499 -10.086 1.033 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.838 -12.622 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.270 -12.458 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.485 -12.096 0.869 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.488 -14.332 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.395 -16.043 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.230 -14.726 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.738 -14.793 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.490 -15.614 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.958 -14.333 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.886 -13.986 0.319 1.00 0.00 H new ATOM 1120 N ALA A 70 -5.965 -13.150 -0.023 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.510 -13.499 -1.333 1.00 0.00 C ATOM 1122 C ALA A 70 -6.417 -14.533 -1.863 1.00 0.00 C ATOM 1123 O ALA A 70 -6.680 -15.539 -1.192 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.092 -14.065 -1.339 1.00 0.00 C ATOM 0 H ALA A 70 -5.496 -13.635 0.742 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.505 -12.592 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.803 -14.311 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.403 -13.324 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.057 -14.965 -0.725 1.00 0.00 H new ATOM 1130 N LEU A 71 -6.958 -14.288 -3.004 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.660 -15.314 -3.689 1.00 0.00 C ATOM 1132 C LEU A 71 -6.574 -16.273 -4.211 1.00 0.00 C ATOM 1133 O LEU A 71 -5.380 -15.904 -4.226 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.498 -14.732 -4.833 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.395 -13.531 -4.494 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.188 -13.125 -5.693 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.329 -13.797 -3.332 1.00 0.00 C ATOM 0 H LEU A 71 -6.928 -13.387 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.365 -15.832 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.820 -14.435 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.130 -15.527 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.729 -12.722 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.820 -12.273 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.510 -12.847 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.814 -13.958 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.935 -12.911 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.980 -14.637 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.745 -14.034 -2.443 1.00 0.00 H new ATOM 1149 N SER A 72 -6.954 -17.440 -4.659 1.00 0.00 N ATOM 1150 CA SER A 72 -6.003 -18.513 -4.998 1.00 0.00 C ATOM 1151 C SER A 72 -4.925 -18.121 -6.058 1.00 0.00 C ATOM 1152 O SER A 72 -3.895 -18.800 -6.191 1.00 0.00 O ATOM 1153 CB SER A 72 -6.780 -19.779 -5.419 1.00 0.00 C ATOM 1154 OG SER A 72 -5.926 -20.896 -5.638 1.00 0.00 O ATOM 0 H SER A 72 -7.931 -17.693 -4.806 1.00 0.00 H new ATOM 0 HA SER A 72 -5.428 -18.713 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.508 -20.028 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.341 -19.571 -6.330 1.00 0.00 H new ATOM 0 HG SER A 72 -5.026 -20.580 -5.864 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.123 -17.026 -6.770 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.188 -16.667 -7.822 1.00 0.00 C ATOM 1162 C ASP A 73 -3.312 -15.499 -7.447 1.00 0.00 C ATOM 1163 O ASP A 73 -2.744 -14.853 -8.328 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.896 -16.363 -9.144 1.00 0.00 C ATOM 1165 CG ASP A 73 -5.718 -17.499 -9.674 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -5.141 -18.531 -10.085 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.968 -17.364 -9.722 1.00 0.00 O ATOM 0 H ASP A 73 -5.904 -16.382 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.554 -17.544 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.541 -15.495 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.149 -16.091 -9.889 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.177 -15.229 -6.140 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.368 -14.084 -5.642 1.00 0.00 C ATOM 1174 C GLN A 74 -3.017 -12.793 -6.056 1.00 0.00 C ATOM 1175 O GLN A 74 -2.411 -11.718 -6.102 1.00 0.00 O ATOM 1176 CB GLN A 74 -0.878 -14.155 -6.063 1.00 0.00 C ATOM 1177 CG GLN A 74 0.030 -14.941 -5.101 1.00 0.00 C ATOM 1178 CD GLN A 74 -0.409 -16.374 -4.831 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -0.966 -17.029 -5.811 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -0.187 -16.898 -3.749 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.613 -15.782 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.350 -14.138 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.816 -14.610 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.493 -13.140 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.040 -14.957 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.078 -14.407 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.250 -16.359 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.439 -17.874 -3.594 1.00 0.00 H new ATOM 1189 N THR A 75 -4.250 -12.936 -6.351 1.00 0.00 N ATOM 1190 CA THR A 75 -5.125 -11.888 -6.618 1.00 0.00 C ATOM 1191 C THR A 75 -5.702 -11.485 -5.289 1.00 0.00 C ATOM 1192 O THR A 75 -6.439 -12.237 -4.673 1.00 0.00 O ATOM 1193 CB THR A 75 -6.211 -12.389 -7.585 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.501 -13.776 -7.285 1.00 0.00 O ATOM 1195 CG2 THR A 75 -5.748 -12.278 -9.029 1.00 0.00 C ATOM 0 H THR A 75 -4.694 -13.852 -6.414 1.00 0.00 H new ATOM 0 HA THR A 75 -4.639 -11.033 -7.089 1.00 0.00 H new ATOM 0 HB THR A 75 -7.102 -11.774 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.194 -14.105 -7.895 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.534 -12.639 -9.692 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.527 -11.236 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.850 -12.879 -9.170 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.351 -10.348 -4.823 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.746 -9.984 -3.510 1.00 0.00 C ATOM 1205 C TRP A 76 -6.999 -9.197 -3.555 1.00 0.00 C ATOM 1206 O TRP A 76 -7.340 -8.589 -4.576 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.641 -9.219 -2.764 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.445 -10.060 -2.382 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.451 -10.482 -3.198 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.123 -10.557 -1.071 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.523 -11.218 -2.491 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.913 -11.277 -1.177 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.738 -10.466 0.178 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.312 -11.900 -0.070 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.146 -11.078 1.263 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.947 -11.785 1.134 1.00 0.00 C ATOM 0 H TRP A 76 -4.795 -9.654 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.925 -10.902 -2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.303 -8.392 -3.389 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.066 -8.782 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.393 -10.272 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.684 -11.648 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.665 -9.924 0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.386 -12.447 -0.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.618 -11.010 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.513 -12.251 2.006 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.724 -9.302 -2.514 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.889 -8.564 -2.372 1.00 0.00 C ATOM 1229 C GLY A 77 -9.286 -8.508 -0.954 1.00 0.00 C ATOM 1230 O GLY A 77 -8.469 -8.738 -0.061 1.00 0.00 O ATOM 0 H GLY A 77 -7.512 -9.917 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.738 -7.555 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.687 -9.013 -2.963 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.519 -8.291 -0.729 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.980 -8.085 0.596 1.00 0.00 C ATOM 1236 C LEU A 78 -11.616 -9.319 1.151 1.00 0.00 C ATOM 1237 O LEU A 78 -12.377 -10.018 0.475 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.904 -6.884 0.677 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.299 -5.554 0.215 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.281 -4.429 0.406 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.985 -5.257 0.932 1.00 0.00 C ATOM 0 H LEU A 78 -11.241 -8.250 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.113 -7.866 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.790 -7.088 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.237 -6.773 1.709 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.079 -5.642 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.832 -3.494 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.180 -4.628 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.542 -4.349 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.585 -4.306 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.161 -5.200 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.269 -6.052 0.723 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.296 -9.571 2.373 1.00 0.00 N ATOM 1254 CA ARG A 79 -11.735 -10.728 3.105 1.00 0.00 C ATOM 1255 C ARG A 79 -13.249 -10.663 3.345 1.00 0.00 C ATOM 1256 O ARG A 79 -13.945 -11.677 3.300 1.00 0.00 O ATOM 1257 CB ARG A 79 -10.996 -10.722 4.436 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.265 -11.879 5.354 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.481 -13.119 4.998 1.00 0.00 C ATOM 1260 NE ARG A 79 -9.027 -12.896 5.120 1.00 0.00 N ATOM 1261 CZ ARG A 79 -8.187 -13.603 5.894 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -8.654 -14.473 6.795 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -6.879 -13.371 5.818 1.00 0.00 N ATOM 0 H ARG A 79 -10.695 -8.955 2.921 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.525 -11.640 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.926 -10.689 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.249 -9.802 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.024 -11.586 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.330 -12.112 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.780 -13.939 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.719 -13.420 3.978 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.625 -12.138 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.660 -14.607 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.005 -15.003 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.523 -12.662 5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.232 -13.902 6.401 1.00 0.00 H new ATOM 1277 N SER A 80 -13.749 -9.472 3.568 1.00 0.00 N ATOM 1278 CA SER A 80 -15.147 -9.283 3.863 1.00 0.00 C ATOM 1279 C SER A 80 -16.002 -9.068 2.588 1.00 0.00 C ATOM 1280 O SER A 80 -17.142 -8.627 2.671 1.00 0.00 O ATOM 1281 CB SER A 80 -15.292 -8.120 4.842 1.00 0.00 C ATOM 1282 OG SER A 80 -14.496 -8.353 6.013 1.00 0.00 O ATOM 0 H SER A 80 -13.202 -8.612 3.550 1.00 0.00 H new ATOM 0 HA SER A 80 -15.531 -10.195 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.983 -7.191 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.338 -8.000 5.123 1.00 0.00 H new ATOM 0 HG SER A 80 -14.596 -7.600 6.632 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.450 -9.382 1.417 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.225 -9.308 0.167 1.00 0.00 C ATOM 1290 C TRP A 81 -17.215 -10.448 0.087 1.00 0.00 C ATOM 1291 O TRP A 81 -18.429 -10.267 -0.133 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.329 -9.446 -1.054 1.00 0.00 C ATOM 1293 CG TRP A 81 -14.654 -8.226 -1.545 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -14.958 -6.924 -1.273 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.589 -8.207 -2.481 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.136 -6.096 -1.990 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.283 -6.860 -2.738 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -12.857 -9.214 -3.126 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.281 -6.486 -3.616 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -11.862 -8.836 -3.996 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.584 -7.480 -4.235 1.00 0.00 C ATOM 0 H TRP A 81 -14.483 -9.687 1.301 1.00 0.00 H new ATOM 0 HA TRP A 81 -16.724 -8.339 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.562 -10.187 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -15.930 -9.849 -1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.731 -6.596 -0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.157 -5.076 -1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.069 -10.257 -2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.060 -5.446 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.285 -9.594 -4.504 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.797 -7.218 -4.927 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.681 -11.613 0.245 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.402 -12.830 0.101 1.00 0.00 C ATOM 1314 C TYR A 82 -17.751 -13.320 1.519 1.00 0.00 C ATOM 1315 O TYR A 82 -17.428 -12.621 2.487 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.493 -13.839 -0.614 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.760 -13.331 -1.840 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.339 -13.354 -3.097 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.458 -12.871 -1.728 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -15.631 -12.932 -4.209 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.753 -12.448 -2.810 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.335 -12.482 -4.061 1.00 0.00 C ATOM 1323 OH TYR A 82 -13.618 -12.066 -5.167 1.00 0.00 O ATOM 0 H TYR A 82 -15.699 -11.747 0.486 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.315 -12.705 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.754 -14.201 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.098 -14.696 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.354 -13.705 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.991 -12.848 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.090 -12.955 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.742 -12.087 -2.692 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.829 -11.564 -4.875 1.00 0.00 H new TER 1333 TYR A 82