USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 673 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -99:sc= 0.664 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -148:sc= -0.579 (180deg=-1.41) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.595 USER MOD Single : A 18 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.56) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.933 (180deg=-2.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-9.5!) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0751 (180deg=-0.499) USER MOD Single : A 42 ASN : amide:sc= 0.948 K(o=0.95,f=-0.06) USER MOD Single : A 45 ASN : amide:sc= -0.851 K(o=-0.85,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.12) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0235 (180deg=-0.26) USER MOD Single : A 57 SER OG : rot -64:sc= 0.984 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -0.616 (180deg=-2.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 33:sc= 0.0747 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.042 23.518 -14.643 1.00 0.00 N ATOM 2 CA GLY A 1 2.054 23.860 -13.637 1.00 0.00 C ATOM 3 C GLY A 1 2.564 23.645 -12.226 1.00 0.00 C ATOM 4 O GLY A 1 2.894 24.602 -11.525 1.00 0.00 O ATOM 0 H1 GLY A 1 2.645 23.682 -15.590 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.887 24.110 -14.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.303 22.516 -14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.762 24.903 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.159 23.258 -13.792 1.00 0.00 H new ATOM 8 N SER A 2 2.628 22.385 -11.807 1.00 0.00 N ATOM 9 CA SER A 2 3.097 22.048 -10.468 1.00 0.00 C ATOM 10 C SER A 2 4.257 21.059 -10.531 1.00 0.00 C ATOM 11 O SER A 2 4.078 19.899 -10.902 1.00 0.00 O ATOM 12 CB SER A 2 1.955 21.459 -9.638 1.00 0.00 C ATOM 13 OG SER A 2 2.315 21.362 -8.271 1.00 0.00 O ATOM 0 H SER A 2 2.361 21.581 -12.375 1.00 0.00 H new ATOM 0 HA SER A 2 3.448 22.964 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.068 22.084 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.696 20.472 -10.020 1.00 0.00 H new ATOM 0 HG SER A 2 2.592 20.444 -8.070 1.00 0.00 H new ATOM 19 N SER A 3 5.447 21.528 -10.168 1.00 0.00 N ATOM 20 CA SER A 3 6.638 20.687 -10.187 1.00 0.00 C ATOM 21 C SER A 3 6.297 19.253 -9.790 1.00 0.00 C ATOM 22 O SER A 3 6.554 18.312 -10.539 1.00 0.00 O ATOM 23 CB SER A 3 7.701 21.251 -9.242 1.00 0.00 C ATOM 24 OG SER A 3 7.170 21.464 -7.946 1.00 0.00 O ATOM 0 H SER A 3 5.612 22.485 -9.857 1.00 0.00 H new ATOM 0 HA SER A 3 7.032 20.680 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.543 20.562 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.084 22.190 -9.640 1.00 0.00 H new ATOM 0 HG SER A 3 7.869 21.823 -7.361 1.00 0.00 H new ATOM 30 N GLY A 4 5.717 19.096 -8.604 1.00 0.00 N ATOM 31 CA GLY A 4 5.350 17.776 -8.126 1.00 0.00 C ATOM 32 C GLY A 4 3.975 17.751 -7.489 1.00 0.00 C ATOM 33 O GLY A 4 3.126 18.587 -7.796 1.00 0.00 O ATOM 0 H GLY A 4 5.495 19.860 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.374 17.072 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.089 17.437 -7.400 1.00 0.00 H new ATOM 37 N SER A 5 3.755 16.789 -6.599 1.00 0.00 N ATOM 38 CA SER A 5 2.471 16.655 -5.920 1.00 0.00 C ATOM 39 C SER A 5 2.669 16.429 -4.424 1.00 0.00 C ATOM 40 O SER A 5 3.732 15.989 -3.986 1.00 0.00 O ATOM 41 CB SER A 5 1.671 15.497 -6.520 1.00 0.00 C ATOM 42 OG SER A 5 1.380 15.734 -7.887 1.00 0.00 O ATOM 0 H SER A 5 4.449 16.091 -6.331 1.00 0.00 H new ATOM 0 HA SER A 5 1.915 17.582 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.236 14.570 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.742 15.366 -5.964 1.00 0.00 H new ATOM 0 HG SER A 5 0.870 14.979 -8.248 1.00 0.00 H new ATOM 48 N SER A 6 1.636 16.733 -3.644 1.00 0.00 N ATOM 49 CA SER A 6 1.696 16.567 -2.197 1.00 0.00 C ATOM 50 C SER A 6 2.322 15.225 -1.829 1.00 0.00 C ATOM 51 O SER A 6 3.157 15.142 -0.929 1.00 0.00 O ATOM 52 CB SER A 6 0.295 16.673 -1.592 1.00 0.00 C ATOM 53 OG SER A 6 -0.584 15.725 -2.173 1.00 0.00 O ATOM 0 H SER A 6 0.748 17.096 -3.990 1.00 0.00 H new ATOM 0 HA SER A 6 2.321 17.362 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.347 16.513 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.096 17.679 -1.746 1.00 0.00 H new ATOM 0 HG SER A 6 -1.472 15.812 -1.768 1.00 0.00 H new ATOM 59 N GLY A 7 1.910 14.175 -2.533 1.00 0.00 N ATOM 60 CA GLY A 7 2.439 12.850 -2.267 1.00 0.00 C ATOM 61 C GLY A 7 1.354 11.794 -2.201 1.00 0.00 C ATOM 62 O GLY A 7 0.898 11.429 -1.118 1.00 0.00 O ATOM 0 H GLY A 7 1.220 14.218 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.153 12.584 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.986 12.863 -1.324 1.00 0.00 H new ATOM 66 N MET A 8 0.937 11.304 -3.364 1.00 0.00 N ATOM 67 CA MET A 8 -0.103 10.284 -3.434 1.00 0.00 C ATOM 68 C MET A 8 0.467 8.959 -3.931 1.00 0.00 C ATOM 69 O MET A 8 1.257 8.927 -4.874 1.00 0.00 O ATOM 70 CB MET A 8 -1.236 10.742 -4.354 1.00 0.00 C ATOM 71 CG MET A 8 -2.085 11.856 -3.764 1.00 0.00 C ATOM 72 SD MET A 8 -2.870 11.383 -2.211 1.00 0.00 S ATOM 73 CE MET A 8 -4.456 10.793 -2.799 1.00 0.00 C ATOM 0 H MET A 8 1.303 11.596 -4.270 1.00 0.00 H new ATOM 0 HA MET A 8 -0.498 10.135 -2.429 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.811 11.082 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.876 9.889 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.461 12.734 -3.598 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.853 12.142 -4.483 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.221 10.998 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.712 11.303 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.401 9.719 -2.977 1.00 0.00 H new ATOM 83 N ALA A 9 0.061 7.868 -3.289 1.00 0.00 N ATOM 84 CA ALA A 9 0.531 6.541 -3.668 1.00 0.00 C ATOM 85 C ALA A 9 -0.565 5.497 -3.481 1.00 0.00 C ATOM 86 O ALA A 9 -0.985 5.218 -2.359 1.00 0.00 O ATOM 87 CB ALA A 9 1.763 6.166 -2.858 1.00 0.00 C ATOM 0 H ALA A 9 -0.591 7.877 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 9 0.798 6.565 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.103 5.173 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.556 6.891 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.514 6.165 -1.797 1.00 0.00 H new ATOM 93 N ASN A 10 -1.024 4.923 -4.589 1.00 0.00 N ATOM 94 CA ASN A 10 -2.073 3.910 -4.546 1.00 0.00 C ATOM 95 C ASN A 10 -1.559 2.622 -3.912 1.00 0.00 C ATOM 96 O ASN A 10 -0.591 2.026 -4.387 1.00 0.00 O ATOM 97 CB ASN A 10 -2.593 3.626 -5.957 1.00 0.00 C ATOM 98 CG ASN A 10 -3.029 4.887 -6.678 1.00 0.00 C ATOM 99 OD1 ASN A 10 -4.074 5.461 -6.371 1.00 0.00 O ATOM 100 ND2 ASN A 10 -2.227 5.324 -7.642 1.00 0.00 N ATOM 0 H ASN A 10 -0.687 5.142 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.890 4.293 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.813 3.131 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.434 2.935 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.467 6.168 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.370 4.816 -7.862 1.00 0.00 H new ATOM 107 N TYR A 11 -2.213 2.196 -2.837 1.00 0.00 N ATOM 108 CA TYR A 11 -1.822 0.979 -2.136 1.00 0.00 C ATOM 109 C TYR A 11 -1.634 -0.177 -3.115 1.00 0.00 C ATOM 110 O TYR A 11 -0.563 -0.780 -3.182 1.00 0.00 O ATOM 111 CB TYR A 11 -2.873 0.609 -1.088 1.00 0.00 C ATOM 112 CG TYR A 11 -3.083 1.676 -0.038 1.00 0.00 C ATOM 113 CD1 TYR A 11 -2.004 2.256 0.617 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.361 2.105 0.299 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.191 3.231 1.578 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.558 3.080 1.257 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.470 3.639 1.894 1.00 0.00 C ATOM 118 OH TYR A 11 -3.661 4.611 2.850 1.00 0.00 O ATOM 0 H TYR A 11 -3.017 2.676 -2.432 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.871 1.167 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.821 0.413 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.574 -0.318 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.001 1.939 0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.215 1.668 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.341 3.671 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.558 3.403 1.506 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.620 4.784 2.953 1.00 0.00 H new ATOM 128 N TYR A 12 -2.683 -0.479 -3.872 1.00 0.00 N ATOM 129 CA TYR A 12 -2.636 -1.562 -4.846 1.00 0.00 C ATOM 130 C TYR A 12 -1.371 -1.477 -5.694 1.00 0.00 C ATOM 131 O TYR A 12 -0.735 -2.491 -5.983 1.00 0.00 O ATOM 132 CB TYR A 12 -3.871 -1.521 -5.746 1.00 0.00 C ATOM 133 CG TYR A 12 -5.146 -1.931 -5.045 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.356 -3.250 -4.658 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.141 -1.002 -4.769 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.520 -3.629 -4.018 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.307 -1.372 -4.127 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.492 -2.687 -3.754 1.00 0.00 C ATOM 139 OH TYR A 12 -8.652 -3.061 -3.116 1.00 0.00 O ATOM 0 H TYR A 12 -3.576 0.011 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.624 -2.506 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.991 -0.511 -6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.709 -2.178 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.596 -3.990 -4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.001 0.028 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.668 -4.658 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.069 -0.636 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.231 -2.278 -3.005 1.00 0.00 H new ATOM 149 N GLU A 13 -1.012 -0.260 -6.090 1.00 0.00 N ATOM 150 CA GLU A 13 0.177 -0.042 -6.906 1.00 0.00 C ATOM 151 C GLU A 13 1.443 -0.372 -6.121 1.00 0.00 C ATOM 152 O GLU A 13 2.253 -1.196 -6.546 1.00 0.00 O ATOM 153 CB GLU A 13 0.229 1.407 -7.393 1.00 0.00 C ATOM 154 CG GLU A 13 -0.605 1.662 -8.638 1.00 0.00 C ATOM 155 CD GLU A 13 0.021 1.078 -9.889 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.001 -0.162 -10.039 1.00 0.00 O ATOM 157 OE2 GLU A 13 0.532 1.859 -10.718 1.00 0.00 O ATOM 0 H GLU A 13 -1.527 0.590 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 13 0.122 -0.706 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.117 2.063 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.265 1.675 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.598 1.234 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.736 2.736 -8.769 1.00 0.00 H new ATOM 164 N VAL A 14 1.607 0.277 -4.973 1.00 0.00 N ATOM 165 CA VAL A 14 2.774 0.053 -4.128 1.00 0.00 C ATOM 166 C VAL A 14 3.103 -1.432 -4.028 1.00 0.00 C ATOM 167 O VAL A 14 4.251 -1.839 -4.215 1.00 0.00 O ATOM 168 CB VAL A 14 2.557 0.615 -2.710 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.758 0.315 -1.827 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.286 2.111 -2.767 1.00 0.00 C ATOM 0 H VAL A 14 0.946 0.962 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 14 3.608 0.577 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 14 1.686 0.127 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.586 0.720 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.901 -0.764 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.649 0.774 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.135 2.492 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.137 2.618 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.392 2.296 -3.362 1.00 0.00 H new ATOM 180 N LEU A 15 2.089 -2.239 -3.733 1.00 0.00 N ATOM 181 CA LEU A 15 2.270 -3.681 -3.609 1.00 0.00 C ATOM 182 C LEU A 15 2.382 -4.336 -4.982 1.00 0.00 C ATOM 183 O LEU A 15 3.210 -5.222 -5.194 1.00 0.00 O ATOM 184 CB LEU A 15 1.105 -4.296 -2.832 1.00 0.00 C ATOM 185 CG LEU A 15 1.175 -4.174 -1.309 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.185 -4.448 -0.688 1.00 0.00 C ATOM 187 CD2 LEU A 15 2.222 -5.124 -0.746 1.00 0.00 C ATOM 0 H LEU A 15 1.133 -1.919 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 15 3.197 -3.860 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.181 -3.829 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.041 -5.353 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 15 1.466 -3.154 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.115 -4.357 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.910 -3.728 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.507 -5.457 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.258 -5.024 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.961 -6.149 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.198 -4.880 -1.166 1.00 0.00 H new ATOM 199 N GLY A 16 1.544 -3.892 -5.914 1.00 0.00 N ATOM 200 CA GLY A 16 1.567 -4.444 -7.256 1.00 0.00 C ATOM 201 C GLY A 16 0.537 -5.540 -7.449 1.00 0.00 C ATOM 202 O GLY A 16 0.841 -6.598 -8.002 1.00 0.00 O ATOM 0 H GLY A 16 0.850 -3.160 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.385 -3.647 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.560 -4.842 -7.465 1.00 0.00 H new ATOM 206 N VAL A 17 -0.685 -5.289 -6.992 1.00 0.00 N ATOM 207 CA VAL A 17 -1.763 -6.262 -7.117 1.00 0.00 C ATOM 208 C VAL A 17 -2.987 -5.645 -7.784 1.00 0.00 C ATOM 209 O VAL A 17 -3.090 -4.424 -7.904 1.00 0.00 O ATOM 210 CB VAL A 17 -2.171 -6.828 -5.743 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.007 -7.569 -5.104 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.668 -5.713 -4.835 1.00 0.00 C ATOM 0 H VAL A 17 -0.953 -4.419 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.385 -7.074 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.986 -7.538 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.314 -7.962 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.702 -8.393 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.170 -6.884 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.952 -6.130 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.876 -4.978 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.533 -5.231 -5.291 1.00 0.00 H new ATOM 222 N GLN A 18 -3.913 -6.496 -8.214 1.00 0.00 N ATOM 223 CA GLN A 18 -5.131 -6.033 -8.869 1.00 0.00 C ATOM 224 C GLN A 18 -6.203 -5.687 -7.841 1.00 0.00 C ATOM 225 O GLN A 18 -6.185 -6.188 -6.718 1.00 0.00 O ATOM 226 CB GLN A 18 -5.655 -7.100 -9.831 1.00 0.00 C ATOM 227 CG GLN A 18 -4.637 -7.530 -10.876 1.00 0.00 C ATOM 228 CD GLN A 18 -3.770 -8.681 -10.406 1.00 0.00 C ATOM 229 OE1 GLN A 18 -2.629 -8.483 -9.988 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.308 -9.893 -10.473 1.00 0.00 N ATOM 0 H GLN A 18 -3.843 -7.509 -8.121 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.891 -5.132 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.966 -7.973 -9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.542 -6.718 -10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.159 -7.822 -11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.002 -6.681 -11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.258 -10.011 -10.826 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.772 -10.706 -10.171 1.00 0.00 H new ATOM 239 N ALA A 19 -7.137 -4.827 -8.235 1.00 0.00 N ATOM 240 CA ALA A 19 -8.219 -4.415 -7.349 1.00 0.00 C ATOM 241 C ALA A 19 -9.019 -5.619 -6.864 1.00 0.00 C ATOM 242 O ALA A 19 -9.422 -5.682 -5.702 1.00 0.00 O ATOM 243 CB ALA A 19 -9.131 -3.422 -8.055 1.00 0.00 C ATOM 0 H ALA A 19 -7.166 -4.402 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.778 -3.930 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.934 -3.123 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.556 -2.543 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.557 -3.888 -8.944 1.00 0.00 H new ATOM 249 N SER A 20 -9.248 -6.573 -7.761 1.00 0.00 N ATOM 250 CA SER A 20 -10.005 -7.773 -7.426 1.00 0.00 C ATOM 251 C SER A 20 -9.069 -8.949 -7.161 1.00 0.00 C ATOM 252 O SER A 20 -9.487 -10.106 -7.185 1.00 0.00 O ATOM 253 CB SER A 20 -10.974 -8.123 -8.556 1.00 0.00 C ATOM 254 OG SER A 20 -12.177 -7.383 -8.443 1.00 0.00 O ATOM 0 H SER A 20 -8.920 -6.538 -8.726 1.00 0.00 H new ATOM 0 HA SER A 20 -10.574 -7.572 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.505 -7.917 -9.518 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.196 -9.190 -8.532 1.00 0.00 H new ATOM 0 HG SER A 20 -12.779 -7.623 -9.178 1.00 0.00 H new ATOM 260 N ALA A 21 -7.801 -8.642 -6.907 1.00 0.00 N ATOM 261 CA ALA A 21 -6.806 -9.672 -6.636 1.00 0.00 C ATOM 262 C ALA A 21 -7.268 -10.602 -5.519 1.00 0.00 C ATOM 263 O ALA A 21 -8.155 -10.256 -4.738 1.00 0.00 O ATOM 264 CB ALA A 21 -5.472 -9.035 -6.276 1.00 0.00 C ATOM 0 H ALA A 21 -7.439 -7.689 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.680 -10.267 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.738 -9.816 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.128 -8.418 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.593 -8.415 -5.388 1.00 0.00 H new ATOM 270 N SER A 22 -6.662 -11.783 -5.449 1.00 0.00 N ATOM 271 CA SER A 22 -7.016 -12.764 -4.430 1.00 0.00 C ATOM 272 C SER A 22 -6.468 -12.353 -3.067 1.00 0.00 C ATOM 273 O SER A 22 -5.480 -11.626 -2.959 1.00 0.00 O ATOM 274 CB SER A 22 -6.478 -14.144 -4.813 1.00 0.00 C ATOM 275 OG SER A 22 -7.008 -14.571 -6.056 1.00 0.00 O ATOM 0 H SER A 22 -5.924 -12.084 -6.086 1.00 0.00 H new ATOM 0 HA SER A 22 -8.103 -12.810 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.390 -14.111 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.734 -14.866 -4.038 1.00 0.00 H new ATOM 0 HG SER A 22 -6.648 -15.455 -6.279 1.00 0.00 H new ATOM 281 N PRO A 23 -7.126 -12.827 -1.998 1.00 0.00 N ATOM 282 CA PRO A 23 -6.724 -12.523 -0.622 1.00 0.00 C ATOM 283 C PRO A 23 -5.412 -13.200 -0.238 1.00 0.00 C ATOM 284 O PRO A 23 -4.811 -12.872 0.784 1.00 0.00 O ATOM 285 CB PRO A 23 -7.878 -13.079 0.216 1.00 0.00 C ATOM 286 CG PRO A 23 -8.476 -14.152 -0.628 1.00 0.00 C ATOM 287 CD PRO A 23 -8.312 -13.698 -2.052 1.00 0.00 C ATOM 0 HA PRO A 23 -6.547 -11.457 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.522 -13.475 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.609 -12.304 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.973 -15.105 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.528 -14.300 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.162 -14.540 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.191 -13.159 -2.406 1.00 0.00 H new ATOM 295 N GLU A 24 -4.975 -14.145 -1.064 1.00 0.00 N ATOM 296 CA GLU A 24 -3.734 -14.867 -0.810 1.00 0.00 C ATOM 297 C GLU A 24 -2.569 -14.230 -1.561 1.00 0.00 C ATOM 298 O GLU A 24 -1.442 -14.197 -1.068 1.00 0.00 O ATOM 299 CB GLU A 24 -3.879 -16.334 -1.220 1.00 0.00 C ATOM 300 CG GLU A 24 -4.108 -16.530 -2.709 1.00 0.00 C ATOM 301 CD GLU A 24 -2.812 -16.625 -3.491 1.00 0.00 C ATOM 302 OE1 GLU A 24 -1.982 -17.498 -3.162 1.00 0.00 O ATOM 303 OE2 GLU A 24 -2.628 -15.825 -4.433 1.00 0.00 O ATOM 0 H GLU A 24 -5.462 -14.428 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.526 -14.814 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.980 -16.876 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.711 -16.775 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.691 -17.438 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.700 -15.700 -3.094 1.00 0.00 H new ATOM 310 N ASP A 25 -2.851 -13.725 -2.757 1.00 0.00 N ATOM 311 CA ASP A 25 -1.827 -13.088 -3.578 1.00 0.00 C ATOM 312 C ASP A 25 -1.248 -11.866 -2.872 1.00 0.00 C ATOM 313 O ASP A 25 -0.051 -11.593 -2.966 1.00 0.00 O ATOM 314 CB ASP A 25 -2.410 -12.681 -4.933 1.00 0.00 C ATOM 315 CG ASP A 25 -2.249 -13.765 -5.981 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.100 -14.191 -6.222 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.272 -14.186 -6.561 1.00 0.00 O ATOM 0 H ASP A 25 -3.779 -13.744 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.024 -13.808 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.468 -12.448 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.920 -11.771 -5.278 1.00 0.00 H new ATOM 322 N ILE A 26 -2.104 -11.134 -2.168 1.00 0.00 N ATOM 323 CA ILE A 26 -1.677 -9.942 -1.447 1.00 0.00 C ATOM 324 C ILE A 26 -0.726 -10.298 -0.310 1.00 0.00 C ATOM 325 O ILE A 26 0.258 -9.600 -0.065 1.00 0.00 O ATOM 326 CB ILE A 26 -2.880 -9.170 -0.873 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.802 -8.706 -2.002 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.403 -7.983 -0.049 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.241 -8.527 -1.572 1.00 0.00 C ATOM 0 H ILE A 26 -3.098 -11.346 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.158 -9.308 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.444 -9.837 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.430 -7.762 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.762 -9.431 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.264 -7.447 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.783 -8.337 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.820 -7.313 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.837 -8.197 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.631 -9.475 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.294 -7.780 -0.780 1.00 0.00 H new ATOM 341 N LYS A 27 -1.025 -11.392 0.383 1.00 0.00 N ATOM 342 CA LYS A 27 -0.196 -11.845 1.494 1.00 0.00 C ATOM 343 C LYS A 27 1.174 -12.299 1.000 1.00 0.00 C ATOM 344 O LYS A 27 2.204 -11.769 1.420 1.00 0.00 O ATOM 345 CB LYS A 27 -0.886 -12.991 2.238 1.00 0.00 C ATOM 346 CG LYS A 27 -2.213 -12.597 2.864 1.00 0.00 C ATOM 347 CD LYS A 27 -2.507 -13.417 4.109 1.00 0.00 C ATOM 348 CE LYS A 27 -3.047 -14.794 3.754 1.00 0.00 C ATOM 349 NZ LYS A 27 -3.183 -15.664 4.955 1.00 0.00 N ATOM 0 H LYS A 27 -1.836 -11.982 0.195 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.058 -11.007 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.051 -13.816 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.220 -13.359 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.195 -11.538 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.014 -12.736 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.597 -13.523 4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.231 -12.890 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.018 -14.689 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.381 -15.270 3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.554 -16.593 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.252 -15.785 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.838 -15.222 5.631 1.00 0.00 H new ATOM 363 N LYS A 28 1.181 -13.281 0.105 1.00 0.00 N ATOM 364 CA LYS A 28 2.424 -13.804 -0.449 1.00 0.00 C ATOM 365 C LYS A 28 3.244 -12.691 -1.093 1.00 0.00 C ATOM 366 O LYS A 28 4.470 -12.671 -0.989 1.00 0.00 O ATOM 367 CB LYS A 28 2.127 -14.896 -1.480 1.00 0.00 C ATOM 368 CG LYS A 28 1.392 -14.388 -2.708 1.00 0.00 C ATOM 369 CD LYS A 28 2.358 -13.928 -3.786 1.00 0.00 C ATOM 370 CE LYS A 28 2.860 -15.097 -4.621 1.00 0.00 C ATOM 371 NZ LYS A 28 4.039 -15.758 -3.996 1.00 0.00 N ATOM 0 H LYS A 28 0.338 -13.731 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 28 3.005 -14.232 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.065 -15.354 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.532 -15.678 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.754 -15.178 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.739 -13.562 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.864 -13.203 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.204 -13.419 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.059 -15.825 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.127 -14.744 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.777 -15.904 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.412 -15.155 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.753 -16.677 -3.602 1.00 0.00 H new ATOM 385 N ALA A 29 2.558 -11.765 -1.756 1.00 0.00 N ATOM 386 CA ALA A 29 3.224 -10.647 -2.413 1.00 0.00 C ATOM 387 C ALA A 29 4.016 -9.814 -1.411 1.00 0.00 C ATOM 388 O ALA A 29 5.150 -9.417 -1.680 1.00 0.00 O ATOM 389 CB ALA A 29 2.205 -9.778 -3.135 1.00 0.00 C ATOM 0 H ALA A 29 1.543 -11.767 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 29 3.925 -11.051 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.715 -8.947 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.685 -10.374 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.483 -9.390 -2.416 1.00 0.00 H new ATOM 395 N TYR A 30 3.413 -9.553 -0.257 1.00 0.00 N ATOM 396 CA TYR A 30 4.062 -8.764 0.783 1.00 0.00 C ATOM 397 C TYR A 30 5.340 -9.444 1.265 1.00 0.00 C ATOM 398 O TYR A 30 6.432 -8.889 1.152 1.00 0.00 O ATOM 399 CB TYR A 30 3.109 -8.552 1.961 1.00 0.00 C ATOM 400 CG TYR A 30 3.809 -8.175 3.246 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.322 -6.897 3.432 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.957 -9.096 4.276 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.963 -6.548 4.605 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.596 -8.755 5.453 1.00 0.00 C ATOM 405 CZ TYR A 30 5.098 -7.480 5.612 1.00 0.00 C ATOM 406 OH TYR A 30 5.735 -7.136 6.782 1.00 0.00 O ATOM 0 H TYR A 30 2.476 -9.876 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 30 4.325 -7.795 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.395 -7.770 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.537 -9.465 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.218 -6.164 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.566 -10.095 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.356 -5.550 4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.702 -9.483 6.244 1.00 0.00 H new ATOM 0 HH TYR A 30 5.744 -7.906 7.388 1.00 0.00 H new ATOM 416 N ARG A 31 5.194 -10.651 1.802 1.00 0.00 N ATOM 417 CA ARG A 31 6.335 -11.408 2.302 1.00 0.00 C ATOM 418 C ARG A 31 7.534 -11.263 1.370 1.00 0.00 C ATOM 419 O ARG A 31 8.644 -10.963 1.810 1.00 0.00 O ATOM 420 CB ARG A 31 5.968 -12.886 2.451 1.00 0.00 C ATOM 421 CG ARG A 31 4.809 -13.133 3.403 1.00 0.00 C ATOM 422 CD ARG A 31 4.851 -14.540 3.978 1.00 0.00 C ATOM 423 NE ARG A 31 3.537 -14.982 4.439 1.00 0.00 N ATOM 424 CZ ARG A 31 3.074 -14.757 5.664 1.00 0.00 C ATOM 425 NH1 ARG A 31 3.814 -14.099 6.545 1.00 0.00 N ATOM 426 NH2 ARG A 31 1.868 -15.190 6.008 1.00 0.00 N ATOM 0 H ARG A 31 4.297 -11.125 1.902 1.00 0.00 H new ATOM 0 HA ARG A 31 6.605 -11.007 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.714 -13.289 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.841 -13.434 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.842 -12.406 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.866 -12.982 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.220 -15.231 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.556 -14.571 4.809 1.00 0.00 H new ATOM 0 HE ARG A 31 2.943 -15.491 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.741 -13.764 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.456 -13.928 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.296 -15.696 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.513 -15.017 6.948 1.00 0.00 H new ATOM 440 N LYS A 32 7.303 -11.478 0.079 1.00 0.00 N ATOM 441 CA LYS A 32 8.363 -11.370 -0.917 1.00 0.00 C ATOM 442 C LYS A 32 8.799 -9.919 -1.092 1.00 0.00 C ATOM 443 O LYS A 32 9.990 -9.608 -1.049 1.00 0.00 O ATOM 444 CB LYS A 32 7.892 -11.938 -2.257 1.00 0.00 C ATOM 445 CG LYS A 32 8.065 -13.442 -2.375 1.00 0.00 C ATOM 446 CD LYS A 32 6.885 -14.188 -1.776 1.00 0.00 C ATOM 447 CE LYS A 32 7.280 -15.586 -1.324 1.00 0.00 C ATOM 448 NZ LYS A 32 7.482 -16.505 -2.478 1.00 0.00 N ATOM 0 H LYS A 32 6.391 -11.728 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 32 9.218 -11.948 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.840 -11.690 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.444 -11.453 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.174 -13.715 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.982 -13.744 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.492 -13.628 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.084 -14.255 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.197 -15.533 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.506 -15.989 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.750 -17.447 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.600 -16.576 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.238 -16.134 -3.089 1.00 0.00 H new ATOM 462 N LEU A 33 7.828 -9.034 -1.290 1.00 0.00 N ATOM 463 CA LEU A 33 8.111 -7.614 -1.471 1.00 0.00 C ATOM 464 C LEU A 33 9.062 -7.107 -0.391 1.00 0.00 C ATOM 465 O LEU A 33 10.152 -6.621 -0.688 1.00 0.00 O ATOM 466 CB LEU A 33 6.812 -6.807 -1.443 1.00 0.00 C ATOM 467 CG LEU A 33 6.005 -6.790 -2.742 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.607 -6.246 -2.494 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.720 -5.966 -3.803 1.00 0.00 C ATOM 0 H LEU A 33 6.838 -9.275 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 33 8.590 -7.485 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.178 -7.204 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.052 -5.778 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 33 5.915 -7.814 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.047 -6.241 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.095 -6.877 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.676 -5.229 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.132 -5.965 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.841 -4.942 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.700 -6.400 -4.001 1.00 0.00 H new ATOM 481 N ALA A 34 8.640 -7.225 0.864 1.00 0.00 N ATOM 482 CA ALA A 34 9.455 -6.782 1.989 1.00 0.00 C ATOM 483 C ALA A 34 10.932 -7.077 1.746 1.00 0.00 C ATOM 484 O ALA A 34 11.785 -6.203 1.910 1.00 0.00 O ATOM 485 CB ALA A 34 8.987 -7.448 3.274 1.00 0.00 C ATOM 0 H ALA A 34 7.739 -7.624 1.127 1.00 0.00 H new ATOM 0 HA ALA A 34 9.338 -5.703 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.604 -7.108 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.946 -7.184 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.074 -8.530 3.176 1.00 0.00 H new ATOM 491 N LEU A 35 11.227 -8.311 1.355 1.00 0.00 N ATOM 492 CA LEU A 35 12.602 -8.721 1.090 1.00 0.00 C ATOM 493 C LEU A 35 13.161 -7.996 -0.130 1.00 0.00 C ATOM 494 O LEU A 35 14.337 -7.632 -0.163 1.00 0.00 O ATOM 495 CB LEU A 35 12.671 -10.234 0.874 1.00 0.00 C ATOM 496 CG LEU A 35 14.074 -10.841 0.820 1.00 0.00 C ATOM 497 CD1 LEU A 35 14.014 -12.344 1.042 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.742 -10.523 -0.510 1.00 0.00 C ATOM 0 H LEU A 35 10.533 -9.045 1.214 1.00 0.00 H new ATOM 0 HA LEU A 35 13.208 -8.456 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.117 -10.721 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.158 -10.472 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 35 14.671 -10.400 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.021 -12.758 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.577 -12.550 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.401 -12.802 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.739 -10.963 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.146 -10.936 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.819 -9.442 -0.629 1.00 0.00 H new ATOM 510 N ARG A 36 12.311 -7.788 -1.129 1.00 0.00 N ATOM 511 CA ARG A 36 12.720 -7.105 -2.351 1.00 0.00 C ATOM 512 C ARG A 36 13.089 -5.652 -2.064 1.00 0.00 C ATOM 513 O ARG A 36 14.181 -5.200 -2.407 1.00 0.00 O ATOM 514 CB ARG A 36 11.600 -7.161 -3.391 1.00 0.00 C ATOM 515 CG ARG A 36 11.929 -6.427 -4.681 1.00 0.00 C ATOM 516 CD ARG A 36 11.188 -7.025 -5.867 1.00 0.00 C ATOM 517 NE ARG A 36 11.477 -6.311 -7.108 1.00 0.00 N ATOM 518 CZ ARG A 36 12.522 -6.578 -7.883 1.00 0.00 C ATOM 519 NH1 ARG A 36 13.374 -7.536 -7.545 1.00 0.00 N ATOM 520 NH2 ARG A 36 12.718 -5.885 -8.997 1.00 0.00 N ATOM 0 H ARG A 36 11.334 -8.082 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 36 13.599 -7.615 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.382 -8.204 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.694 -6.734 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.665 -5.374 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.003 -6.471 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.467 -8.073 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.115 -6.999 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 36 10.842 -5.567 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.228 -8.070 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.176 -7.739 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.066 -5.146 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.521 -6.091 -9.591 1.00 0.00 H new ATOM 534 N TRP A 37 12.171 -4.928 -1.434 1.00 0.00 N ATOM 535 CA TRP A 37 12.400 -3.526 -1.101 1.00 0.00 C ATOM 536 C TRP A 37 13.257 -3.397 0.154 1.00 0.00 C ATOM 537 O TRP A 37 13.365 -2.317 0.735 1.00 0.00 O ATOM 538 CB TRP A 37 11.067 -2.804 -0.900 1.00 0.00 C ATOM 539 CG TRP A 37 10.447 -2.335 -2.181 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.325 -2.834 -2.779 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.914 -1.274 -3.022 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.067 -2.148 -3.942 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.027 -1.185 -4.112 1.00 0.00 C ATOM 544 CE3 TRP A 37 11.995 -0.390 -2.959 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.190 -0.249 -5.130 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.155 0.539 -3.969 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.256 0.604 -5.042 1.00 0.00 C ATOM 0 H TRP A 37 11.262 -5.288 -1.144 1.00 0.00 H new ATOM 0 HA TRP A 37 12.934 -3.064 -1.931 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.372 -3.473 -0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.221 -1.947 -0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.728 -3.648 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.288 -2.327 -4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.693 -0.432 -2.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.500 -0.198 -5.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.987 1.227 -3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.408 1.343 -5.815 1.00 0.00 H new ATOM 558 N HIS A 38 13.865 -4.505 0.566 1.00 0.00 N ATOM 559 CA HIS A 38 14.713 -4.515 1.753 1.00 0.00 C ATOM 560 C HIS A 38 15.941 -3.631 1.550 1.00 0.00 C ATOM 561 O HIS A 38 16.551 -3.611 0.482 1.00 0.00 O ATOM 562 CB HIS A 38 15.147 -5.943 2.084 1.00 0.00 C ATOM 563 CG HIS A 38 15.444 -6.157 3.536 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.654 -5.835 4.113 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.678 -6.663 4.531 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.621 -6.136 5.399 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.432 -6.640 5.678 1.00 0.00 N ATOM 0 H HIS A 38 13.786 -5.407 0.096 1.00 0.00 H new ATOM 0 HA HIS A 38 14.134 -4.117 2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.361 -6.633 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.034 -6.189 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.662 -7.019 4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.428 -5.994 6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.124 -6.960 6.596 1.00 0.00 H new ATOM 575 N PRO A 39 16.311 -2.883 2.600 1.00 0.00 N ATOM 576 CA PRO A 39 17.468 -1.983 2.561 1.00 0.00 C ATOM 577 C PRO A 39 18.790 -2.742 2.511 1.00 0.00 C ATOM 578 O PRO A 39 19.707 -2.361 1.783 1.00 0.00 O ATOM 579 CB PRO A 39 17.352 -1.199 3.871 1.00 0.00 C ATOM 580 CG PRO A 39 16.584 -2.094 4.781 1.00 0.00 C ATOM 581 CD PRO A 39 15.630 -2.857 3.905 1.00 0.00 C ATOM 0 HA PRO A 39 17.466 -1.355 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.335 -0.966 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.836 -0.251 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.250 -2.772 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.046 -1.517 5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.452 -3.863 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.660 -2.364 3.842 1.00 0.00 H new ATOM 589 N ASP A 40 18.881 -3.815 3.287 1.00 0.00 N ATOM 590 CA ASP A 40 20.091 -4.628 3.329 1.00 0.00 C ATOM 591 C ASP A 40 20.389 -5.230 1.960 1.00 0.00 C ATOM 592 O ASP A 40 21.548 -5.348 1.560 1.00 0.00 O ATOM 593 CB ASP A 40 19.948 -5.741 4.369 1.00 0.00 C ATOM 594 CG ASP A 40 20.884 -6.904 4.105 1.00 0.00 C ATOM 595 OD1 ASP A 40 20.700 -7.593 3.080 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.801 -7.124 4.924 1.00 0.00 O ATOM 0 H ASP A 40 18.131 -4.143 3.896 1.00 0.00 H new ATOM 0 HA ASP A 40 20.923 -3.982 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 40 20.148 -5.335 5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.919 -6.100 4.373 1.00 0.00 H new ATOM 601 N LYS A 41 19.336 -5.612 1.245 1.00 0.00 N ATOM 602 CA LYS A 41 19.484 -6.202 -0.080 1.00 0.00 C ATOM 603 C LYS A 41 19.891 -5.147 -1.103 1.00 0.00 C ATOM 604 O LYS A 41 20.435 -5.470 -2.158 1.00 0.00 O ATOM 605 CB LYS A 41 18.176 -6.869 -0.512 1.00 0.00 C ATOM 606 CG LYS A 41 18.058 -8.318 -0.075 1.00 0.00 C ATOM 607 CD LYS A 41 19.024 -9.211 -0.835 1.00 0.00 C ATOM 608 CE LYS A 41 19.060 -10.616 -0.255 1.00 0.00 C ATOM 609 NZ LYS A 41 19.511 -10.619 1.164 1.00 0.00 N ATOM 0 H LYS A 41 18.370 -5.523 1.561 1.00 0.00 H new ATOM 0 HA LYS A 41 20.270 -6.955 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.338 -6.305 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.093 -6.818 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.256 -8.394 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.037 -8.665 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.730 -9.257 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.024 -8.777 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.068 -11.062 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.729 -11.237 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.830 -11.574 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.297 -9.948 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.722 -10.337 1.780 1.00 0.00 H new ATOM 623 N ASN A 42 19.625 -3.885 -0.783 1.00 0.00 N ATOM 624 CA ASN A 42 19.966 -2.782 -1.675 1.00 0.00 C ATOM 625 C ASN A 42 21.137 -1.976 -1.121 1.00 0.00 C ATOM 626 O ASN A 42 20.986 -1.159 -0.212 1.00 0.00 O ATOM 627 CB ASN A 42 18.754 -1.869 -1.877 1.00 0.00 C ATOM 628 CG ASN A 42 17.691 -2.505 -2.751 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.874 -2.657 -3.959 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.571 -2.879 -2.143 1.00 0.00 N ATOM 0 H ASN A 42 19.175 -3.600 0.087 1.00 0.00 H new ATOM 0 HA ASN A 42 20.260 -3.203 -2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.323 -1.622 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.080 -0.932 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.819 -3.312 -2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.463 -2.734 -1.139 1.00 0.00 H new ATOM 637 N PRO A 43 22.333 -2.210 -1.681 1.00 0.00 N ATOM 638 CA PRO A 43 23.553 -1.516 -1.260 1.00 0.00 C ATOM 639 C PRO A 43 23.547 -0.042 -1.654 1.00 0.00 C ATOM 640 O PRO A 43 23.766 0.835 -0.818 1.00 0.00 O ATOM 641 CB PRO A 43 24.662 -2.264 -2.005 1.00 0.00 C ATOM 642 CG PRO A 43 23.990 -2.846 -3.200 1.00 0.00 C ATOM 643 CD PRO A 43 22.586 -3.170 -2.769 1.00 0.00 C ATOM 0 HA PRO A 43 23.671 -1.520 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.469 -1.590 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.103 -3.041 -1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 43 23.990 -2.140 -4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.509 -3.741 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.876 -3.047 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.499 -4.200 -2.424 1.00 0.00 H new ATOM 651 N ASP A 44 23.295 0.222 -2.931 1.00 0.00 N ATOM 652 CA ASP A 44 23.259 1.590 -3.436 1.00 0.00 C ATOM 653 C ASP A 44 22.516 2.507 -2.469 1.00 0.00 C ATOM 654 O ASP A 44 23.092 3.447 -1.924 1.00 0.00 O ATOM 655 CB ASP A 44 22.592 1.631 -4.812 1.00 0.00 C ATOM 656 CG ASP A 44 23.377 0.867 -5.859 1.00 0.00 C ATOM 657 OD1 ASP A 44 23.446 -0.376 -5.761 1.00 0.00 O ATOM 658 OD2 ASP A 44 23.923 1.512 -6.779 1.00 0.00 O ATOM 0 H ASP A 44 23.113 -0.493 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 44 24.286 1.944 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.588 1.213 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.483 2.668 -5.129 1.00 0.00 H new ATOM 663 N ASN A 45 21.234 2.226 -2.263 1.00 0.00 N ATOM 664 CA ASN A 45 20.411 3.026 -1.363 1.00 0.00 C ATOM 665 C ASN A 45 19.836 2.166 -0.242 1.00 0.00 C ATOM 666 O ASN A 45 19.108 1.205 -0.493 1.00 0.00 O ATOM 667 CB ASN A 45 19.277 3.699 -2.138 1.00 0.00 C ATOM 668 CG ASN A 45 18.719 2.812 -3.234 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.395 2.529 -4.223 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.479 2.368 -3.062 1.00 0.00 N ATOM 0 H ASN A 45 20.742 1.450 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 45 21.044 3.794 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.477 3.965 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.642 4.628 -2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.050 1.767 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.955 2.628 -2.226 1.00 0.00 H new ATOM 677 N LYS A 46 20.167 2.517 0.996 1.00 0.00 N ATOM 678 CA LYS A 46 19.682 1.780 2.157 1.00 0.00 C ATOM 679 C LYS A 46 18.406 2.409 2.708 1.00 0.00 C ATOM 680 O LYS A 46 17.431 1.713 2.985 1.00 0.00 O ATOM 681 CB LYS A 46 20.756 1.741 3.247 1.00 0.00 C ATOM 682 CG LYS A 46 21.699 0.556 3.129 1.00 0.00 C ATOM 683 CD LYS A 46 22.859 0.857 2.196 1.00 0.00 C ATOM 684 CE LYS A 46 24.124 0.129 2.626 1.00 0.00 C ATOM 685 NZ LYS A 46 23.954 -1.350 2.584 1.00 0.00 N ATOM 0 H LYS A 46 20.770 3.308 1.221 1.00 0.00 H new ATOM 0 HA LYS A 46 19.456 0.762 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.337 2.662 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.271 1.713 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.083 0.296 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.151 -0.311 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.596 0.562 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.044 1.931 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.949 0.418 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.393 0.435 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 24.073 -1.740 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.003 -1.580 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.667 -1.764 1.950 1.00 0.00 H new ATOM 699 N GLU A 47 18.422 3.729 2.862 1.00 0.00 N ATOM 700 CA GLU A 47 17.265 4.451 3.379 1.00 0.00 C ATOM 701 C GLU A 47 16.088 4.355 2.413 1.00 0.00 C ATOM 702 O GLU A 47 15.043 3.797 2.746 1.00 0.00 O ATOM 703 CB GLU A 47 17.620 5.919 3.624 1.00 0.00 C ATOM 704 CG GLU A 47 16.470 6.737 4.189 1.00 0.00 C ATOM 705 CD GLU A 47 16.926 8.064 4.764 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.092 8.153 5.200 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.115 9.013 4.778 1.00 0.00 O ATOM 0 H GLU A 47 19.222 4.320 2.637 1.00 0.00 H new ATOM 0 HA GLU A 47 16.975 3.992 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.464 5.970 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.947 6.367 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.737 6.918 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.967 6.162 4.967 1.00 0.00 H new ATOM 714 N GLU A 48 16.266 4.904 1.215 1.00 0.00 N ATOM 715 CA GLU A 48 15.218 4.882 0.202 1.00 0.00 C ATOM 716 C GLU A 48 14.443 3.568 0.249 1.00 0.00 C ATOM 717 O GLU A 48 13.213 3.561 0.267 1.00 0.00 O ATOM 718 CB GLU A 48 15.820 5.081 -1.191 1.00 0.00 C ATOM 719 CG GLU A 48 14.786 5.103 -2.303 1.00 0.00 C ATOM 720 CD GLU A 48 15.226 5.936 -3.492 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.359 5.730 -3.975 1.00 0.00 O ATOM 722 OE2 GLU A 48 14.436 6.793 -3.940 1.00 0.00 O ATOM 0 H GLU A 48 17.126 5.369 0.923 1.00 0.00 H new ATOM 0 HA GLU A 48 14.528 5.699 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.378 6.017 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.534 4.281 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.590 4.082 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.848 5.499 -1.914 1.00 0.00 H new ATOM 729 N ALA A 49 15.173 2.457 0.269 1.00 0.00 N ATOM 730 CA ALA A 49 14.556 1.138 0.316 1.00 0.00 C ATOM 731 C ALA A 49 13.851 0.909 1.649 1.00 0.00 C ATOM 732 O ALA A 49 12.726 0.412 1.688 1.00 0.00 O ATOM 733 CB ALA A 49 15.601 0.058 0.077 1.00 0.00 C ATOM 0 H ALA A 49 16.193 2.445 0.253 1.00 0.00 H new ATOM 0 HA ALA A 49 13.808 1.086 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.126 -0.922 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.057 0.203 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.370 0.119 0.847 1.00 0.00 H new ATOM 739 N GLU A 50 14.520 1.273 2.738 1.00 0.00 N ATOM 740 CA GLU A 50 13.956 1.105 4.072 1.00 0.00 C ATOM 741 C GLU A 50 12.549 1.689 4.145 1.00 0.00 C ATOM 742 O GLU A 50 11.636 1.073 4.696 1.00 0.00 O ATOM 743 CB GLU A 50 14.853 1.774 5.116 1.00 0.00 C ATOM 744 CG GLU A 50 14.780 1.123 6.487 1.00 0.00 C ATOM 745 CD GLU A 50 15.598 1.863 7.528 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.410 3.089 7.670 1.00 0.00 O ATOM 747 OE2 GLU A 50 16.426 1.214 8.202 1.00 0.00 O ATOM 0 H GLU A 50 15.453 1.686 2.723 1.00 0.00 H new ATOM 0 HA GLU A 50 13.898 0.037 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.885 1.749 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.572 2.823 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.740 1.081 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.134 0.094 6.416 1.00 0.00 H new ATOM 754 N LYS A 51 12.379 2.882 3.586 1.00 0.00 N ATOM 755 CA LYS A 51 11.084 3.551 3.586 1.00 0.00 C ATOM 756 C LYS A 51 10.023 2.683 2.916 1.00 0.00 C ATOM 757 O LYS A 51 8.992 2.372 3.513 1.00 0.00 O ATOM 758 CB LYS A 51 11.182 4.899 2.868 1.00 0.00 C ATOM 759 CG LYS A 51 9.846 5.602 2.709 1.00 0.00 C ATOM 760 CD LYS A 51 9.190 5.261 1.381 1.00 0.00 C ATOM 761 CE LYS A 51 9.957 5.857 0.211 1.00 0.00 C ATOM 762 NZ LYS A 51 9.140 5.881 -1.034 1.00 0.00 N ATOM 0 H LYS A 51 13.124 3.406 3.126 1.00 0.00 H new ATOM 0 HA LYS A 51 10.791 3.719 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.861 5.548 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.622 4.745 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.184 5.316 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.991 6.680 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.136 4.178 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.166 5.634 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.269 6.871 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.864 5.278 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.699 6.294 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.863 4.911 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.287 6.455 -0.878 1.00 0.00 H new ATOM 776 N LYS A 52 10.283 2.292 1.673 1.00 0.00 N ATOM 777 CA LYS A 52 9.353 1.457 0.923 1.00 0.00 C ATOM 778 C LYS A 52 8.872 0.282 1.769 1.00 0.00 C ATOM 779 O LYS A 52 7.701 -0.095 1.716 1.00 0.00 O ATOM 780 CB LYS A 52 10.017 0.940 -0.356 1.00 0.00 C ATOM 781 CG LYS A 52 10.190 2.005 -1.425 1.00 0.00 C ATOM 782 CD LYS A 52 8.954 2.121 -2.301 1.00 0.00 C ATOM 783 CE LYS A 52 9.216 2.989 -3.523 1.00 0.00 C ATOM 784 NZ LYS A 52 8.094 2.924 -4.500 1.00 0.00 N ATOM 0 H LYS A 52 11.131 2.540 1.164 1.00 0.00 H new ATOM 0 HA LYS A 52 8.490 2.067 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.994 0.526 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.419 0.124 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.394 2.966 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.054 1.764 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.638 1.128 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.134 2.545 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.365 4.022 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.138 2.666 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.311 3.529 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.968 1.942 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.219 3.256 -4.046 1.00 0.00 H new ATOM 798 N PHE A 53 9.782 -0.291 2.548 1.00 0.00 N ATOM 799 CA PHE A 53 9.450 -1.423 3.406 1.00 0.00 C ATOM 800 C PHE A 53 8.190 -1.138 4.218 1.00 0.00 C ATOM 801 O PHE A 53 7.317 -1.996 4.353 1.00 0.00 O ATOM 802 CB PHE A 53 10.616 -1.737 4.346 1.00 0.00 C ATOM 803 CG PHE A 53 10.474 -3.051 5.059 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.553 -3.204 6.082 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.263 -4.134 4.705 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.420 -4.413 6.740 1.00 0.00 C ATOM 807 CE2 PHE A 53 11.134 -5.345 5.359 1.00 0.00 C ATOM 808 CZ PHE A 53 10.212 -5.484 6.378 1.00 0.00 C ATOM 0 H PHE A 53 10.755 0.009 2.603 1.00 0.00 H new ATOM 0 HA PHE A 53 9.263 -2.288 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.543 -1.742 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.702 -0.940 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.931 -2.369 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.986 -4.031 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.698 -4.519 7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.754 -6.182 5.073 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.111 -6.429 6.891 1.00 0.00 H new ATOM 818 N LYS A 54 8.102 0.073 4.758 1.00 0.00 N ATOM 819 CA LYS A 54 6.950 0.473 5.557 1.00 0.00 C ATOM 820 C LYS A 54 5.692 0.551 4.696 1.00 0.00 C ATOM 821 O LYS A 54 4.621 0.099 5.103 1.00 0.00 O ATOM 822 CB LYS A 54 7.210 1.826 6.222 1.00 0.00 C ATOM 823 CG LYS A 54 6.077 2.290 7.121 1.00 0.00 C ATOM 824 CD LYS A 54 6.075 1.545 8.446 1.00 0.00 C ATOM 825 CE LYS A 54 5.334 2.323 9.522 1.00 0.00 C ATOM 826 NZ LYS A 54 6.079 3.543 9.938 1.00 0.00 N ATOM 0 H LYS A 54 8.815 0.795 4.657 1.00 0.00 H new ATOM 0 HA LYS A 54 6.795 -0.281 6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.126 1.763 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.379 2.575 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.172 3.360 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.124 2.137 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.608 0.569 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.102 1.367 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.349 2.608 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.175 1.682 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.741 3.855 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.095 3.328 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.922 4.300 9.242 1.00 0.00 H new ATOM 840 N LEU A 55 5.830 1.125 3.506 1.00 0.00 N ATOM 841 CA LEU A 55 4.705 1.261 2.588 1.00 0.00 C ATOM 842 C LEU A 55 4.096 -0.101 2.268 1.00 0.00 C ATOM 843 O LEU A 55 2.880 -0.280 2.335 1.00 0.00 O ATOM 844 CB LEU A 55 5.155 1.947 1.297 1.00 0.00 C ATOM 845 CG LEU A 55 5.103 3.475 1.296 1.00 0.00 C ATOM 846 CD1 LEU A 55 5.955 4.038 0.168 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.666 3.960 1.175 1.00 0.00 C ATOM 0 H LEU A 55 6.709 1.504 3.154 1.00 0.00 H new ATOM 0 HA LEU A 55 3.945 1.874 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.178 1.638 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.534 1.582 0.479 1.00 0.00 H new ATOM 0 HG LEU A 55 5.508 3.833 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.906 5.127 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.989 3.720 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.581 3.671 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.649 5.050 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.235 3.591 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.084 3.587 2.018 1.00 0.00 H new ATOM 859 N VAL A 56 4.951 -1.059 1.921 1.00 0.00 N ATOM 860 CA VAL A 56 4.498 -2.405 1.594 1.00 0.00 C ATOM 861 C VAL A 56 3.731 -3.025 2.757 1.00 0.00 C ATOM 862 O VAL A 56 2.689 -3.651 2.564 1.00 0.00 O ATOM 863 CB VAL A 56 5.680 -3.321 1.226 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.192 -4.731 0.931 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.444 -2.753 0.040 1.00 0.00 C ATOM 0 H VAL A 56 5.961 -0.927 1.859 1.00 0.00 H new ATOM 0 HA VAL A 56 3.836 -2.315 0.733 1.00 0.00 H new ATOM 0 HB VAL A 56 6.359 -3.369 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.041 -5.363 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.693 -5.135 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.491 -4.706 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.276 -3.413 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.777 -2.674 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.828 -1.765 0.294 1.00 0.00 H new ATOM 875 N SER A 57 4.255 -2.846 3.966 1.00 0.00 N ATOM 876 CA SER A 57 3.622 -3.391 5.161 1.00 0.00 C ATOM 877 C SER A 57 2.292 -2.695 5.437 1.00 0.00 C ATOM 878 O SER A 57 1.286 -3.346 5.717 1.00 0.00 O ATOM 879 CB SER A 57 4.549 -3.240 6.369 1.00 0.00 C ATOM 880 OG SER A 57 4.539 -1.910 6.857 1.00 0.00 O ATOM 0 H SER A 57 5.116 -2.328 4.143 1.00 0.00 H new ATOM 0 HA SER A 57 3.430 -4.450 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.236 -3.923 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.565 -3.520 6.089 1.00 0.00 H new ATOM 0 HG SER A 57 4.902 -1.308 6.174 1.00 0.00 H new ATOM 886 N GLU A 58 2.298 -1.368 5.355 1.00 0.00 N ATOM 887 CA GLU A 58 1.092 -0.584 5.597 1.00 0.00 C ATOM 888 C GLU A 58 -0.028 -1.001 4.648 1.00 0.00 C ATOM 889 O GLU A 58 -1.103 -1.411 5.083 1.00 0.00 O ATOM 890 CB GLU A 58 1.386 0.908 5.431 1.00 0.00 C ATOM 891 CG GLU A 58 0.239 1.806 5.863 1.00 0.00 C ATOM 892 CD GLU A 58 0.348 3.207 5.291 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.600 3.334 4.075 1.00 0.00 O ATOM 894 OE2 GLU A 58 0.180 4.176 6.061 1.00 0.00 O ATOM 0 H GLU A 58 3.123 -0.814 5.123 1.00 0.00 H new ATOM 0 HA GLU A 58 0.767 -0.772 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.273 1.162 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.620 1.109 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.705 1.361 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.217 1.863 6.951 1.00 0.00 H new ATOM 901 N ALA A 59 0.234 -0.893 3.349 1.00 0.00 N ATOM 902 CA ALA A 59 -0.750 -1.261 2.339 1.00 0.00 C ATOM 903 C ALA A 59 -1.233 -2.693 2.537 1.00 0.00 C ATOM 904 O ALA A 59 -2.432 -2.968 2.481 1.00 0.00 O ATOM 905 CB ALA A 59 -0.165 -1.087 0.945 1.00 0.00 C ATOM 0 H ALA A 59 1.119 -0.554 2.972 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.609 -0.599 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.911 -1.365 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.123 -0.046 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.712 -1.725 0.836 1.00 0.00 H new ATOM 911 N TYR A 60 -0.293 -3.603 2.769 1.00 0.00 N ATOM 912 CA TYR A 60 -0.623 -5.008 2.973 1.00 0.00 C ATOM 913 C TYR A 60 -1.788 -5.159 3.946 1.00 0.00 C ATOM 914 O TYR A 60 -2.652 -6.016 3.767 1.00 0.00 O ATOM 915 CB TYR A 60 0.596 -5.769 3.498 1.00 0.00 C ATOM 916 CG TYR A 60 0.244 -7.031 4.252 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.657 -7.949 3.726 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.811 -7.306 5.490 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.983 -9.103 4.411 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.492 -8.458 6.182 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.405 -9.354 5.638 1.00 0.00 C ATOM 922 OH TYR A 60 -0.727 -10.502 6.325 1.00 0.00 O ATOM 0 H TYR A 60 0.704 -3.392 2.820 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.919 -5.428 2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.243 -6.026 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.169 -5.113 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.110 -7.757 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.514 -6.607 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.687 -9.805 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.942 -8.656 7.143 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.232 -10.527 7.171 1.00 0.00 H new ATOM 932 N GLU A 61 -1.803 -4.318 4.976 1.00 0.00 N ATOM 933 CA GLU A 61 -2.861 -4.357 5.978 1.00 0.00 C ATOM 934 C GLU A 61 -4.110 -3.637 5.478 1.00 0.00 C ATOM 935 O GLU A 61 -5.218 -4.170 5.547 1.00 0.00 O ATOM 936 CB GLU A 61 -2.381 -3.722 7.284 1.00 0.00 C ATOM 937 CG GLU A 61 -1.222 -4.461 7.931 1.00 0.00 C ATOM 938 CD GLU A 61 -1.672 -5.669 8.729 1.00 0.00 C ATOM 939 OE1 GLU A 61 -2.245 -6.599 8.124 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.452 -5.684 9.958 1.00 0.00 O ATOM 0 H GLU A 61 -1.095 -3.602 5.138 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.114 -5.401 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.081 -2.693 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.213 -3.683 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.523 -4.781 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.681 -3.778 8.587 1.00 0.00 H new ATOM 947 N VAL A 62 -3.924 -2.421 4.975 1.00 0.00 N ATOM 948 CA VAL A 62 -5.034 -1.626 4.463 1.00 0.00 C ATOM 949 C VAL A 62 -5.944 -2.464 3.572 1.00 0.00 C ATOM 950 O VAL A 62 -7.167 -2.321 3.605 1.00 0.00 O ATOM 951 CB VAL A 62 -4.532 -0.409 3.665 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.701 0.353 3.060 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.694 0.500 4.551 1.00 0.00 C ATOM 0 H VAL A 62 -3.014 -1.964 4.911 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.598 -1.276 5.328 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.902 -0.766 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.326 1.210 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.256 -0.304 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.360 0.700 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.347 1.355 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.298 0.850 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.835 -0.053 4.930 1.00 0.00 H new ATOM 963 N LEU A 63 -5.340 -3.339 2.776 1.00 0.00 N ATOM 964 CA LEU A 63 -6.096 -4.202 1.875 1.00 0.00 C ATOM 965 C LEU A 63 -6.451 -5.521 2.554 1.00 0.00 C ATOM 966 O LEU A 63 -7.586 -5.990 2.468 1.00 0.00 O ATOM 967 CB LEU A 63 -5.293 -4.471 0.601 1.00 0.00 C ATOM 968 CG LEU A 63 -4.844 -3.237 -0.182 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.717 -3.593 -1.139 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.016 -2.629 -0.938 1.00 0.00 C ATOM 0 H LEU A 63 -4.329 -3.470 2.736 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.021 -3.689 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.408 -5.049 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.895 -5.096 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.472 -2.497 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.411 -2.702 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.869 -3.981 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.062 -4.351 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.678 -1.752 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.419 -3.363 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.792 -2.336 -0.231 1.00 0.00 H new ATOM 982 N SER A 64 -5.473 -6.115 3.230 1.00 0.00 N ATOM 983 CA SER A 64 -5.681 -7.381 3.923 1.00 0.00 C ATOM 984 C SER A 64 -6.931 -7.323 4.796 1.00 0.00 C ATOM 985 O SER A 64 -7.691 -8.288 4.875 1.00 0.00 O ATOM 986 CB SER A 64 -4.461 -7.724 4.781 1.00 0.00 C ATOM 987 OG SER A 64 -4.720 -8.843 5.610 1.00 0.00 O ATOM 0 H SER A 64 -4.528 -5.740 3.313 1.00 0.00 H new ATOM 0 HA SER A 64 -5.819 -8.159 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.607 -7.934 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.192 -6.866 5.397 1.00 0.00 H new ATOM 0 HG SER A 64 -3.925 -9.043 6.147 1.00 0.00 H new ATOM 993 N ASP A 65 -7.136 -6.185 5.450 1.00 0.00 N ATOM 994 CA ASP A 65 -8.293 -5.999 6.317 1.00 0.00 C ATOM 995 C ASP A 65 -9.592 -6.179 5.537 1.00 0.00 C ATOM 996 O ASP A 65 -9.584 -6.249 4.308 1.00 0.00 O ATOM 997 CB ASP A 65 -8.258 -4.612 6.960 1.00 0.00 C ATOM 998 CG ASP A 65 -7.539 -4.610 8.295 1.00 0.00 C ATOM 999 OD1 ASP A 65 -6.346 -4.976 8.327 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.170 -4.243 9.308 1.00 0.00 O ATOM 0 H ASP A 65 -6.516 -5.377 5.396 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.253 -6.755 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.765 -3.914 6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.278 -4.254 7.100 1.00 0.00 H new ATOM 1005 N SER A 66 -10.705 -6.253 6.259 1.00 0.00 N ATOM 1006 CA SER A 66 -12.011 -6.430 5.634 1.00 0.00 C ATOM 1007 C SER A 66 -12.698 -5.084 5.422 1.00 0.00 C ATOM 1008 O SER A 66 -13.403 -4.882 4.433 1.00 0.00 O ATOM 1009 CB SER A 66 -12.893 -7.336 6.495 1.00 0.00 C ATOM 1010 OG SER A 66 -13.175 -6.733 7.746 1.00 0.00 O ATOM 0 H SER A 66 -10.729 -6.193 7.277 1.00 0.00 H new ATOM 0 HA SER A 66 -11.861 -6.899 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.825 -7.546 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.393 -8.292 6.653 1.00 0.00 H new ATOM 0 HG SER A 66 -13.741 -7.331 8.277 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.487 -4.166 6.359 1.00 0.00 N ATOM 1017 CA LYS A 67 -13.084 -2.838 6.277 1.00 0.00 C ATOM 1018 C LYS A 67 -12.143 -1.860 5.580 1.00 0.00 C ATOM 1019 O LYS A 67 -12.505 -1.237 4.582 1.00 0.00 O ATOM 1020 CB LYS A 67 -13.427 -2.323 7.676 1.00 0.00 C ATOM 1021 CG LYS A 67 -12.229 -2.248 8.607 1.00 0.00 C ATOM 1022 CD LYS A 67 -12.646 -2.362 10.064 1.00 0.00 C ATOM 1023 CE LYS A 67 -13.360 -1.106 10.539 1.00 0.00 C ATOM 1024 NZ LYS A 67 -14.769 -1.054 10.060 1.00 0.00 N ATOM 0 H LYS A 67 -11.907 -4.317 7.184 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.999 -2.915 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.872 -1.332 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.181 -2.974 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.528 -3.047 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.704 -1.306 8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.301 -3.224 10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.766 -2.538 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.345 -1.070 11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.823 -0.227 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.382 -0.703 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.834 -0.415 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.076 -2.007 9.780 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.932 -1.732 6.111 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.937 -0.833 5.540 1.00 0.00 C ATOM 1040 C LYS A 68 -9.990 -0.861 4.016 1.00 0.00 C ATOM 1041 O LYS A 68 -10.091 0.182 3.369 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.535 -1.218 6.019 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.432 -1.384 7.525 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.996 -1.254 8.004 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.532 0.195 7.986 1.00 0.00 C ATOM 1046 NZ LYS A 68 -5.050 0.304 8.084 1.00 0.00 N ATOM 0 H LYS A 68 -10.616 -2.240 6.937 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.163 0.179 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.239 -2.150 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.827 -0.454 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.050 -0.633 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.825 -2.359 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.911 -1.652 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.344 -1.854 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.871 0.674 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.991 0.734 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.774 1.307 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.728 -0.130 8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.612 -0.188 7.280 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.922 -2.060 3.448 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.962 -2.223 1.999 1.00 0.00 C ATOM 1062 C ARG A 69 -11.176 -1.515 1.406 1.00 0.00 C ATOM 1063 O ARG A 69 -11.082 -0.867 0.364 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.995 -3.708 1.633 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.195 -3.965 0.148 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.775 -5.375 -0.235 1.00 0.00 C ATOM 1067 NE ARG A 69 -9.278 -5.445 -1.607 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.697 -6.521 -2.124 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -8.540 -7.613 -1.387 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.271 -6.508 -3.380 1.00 0.00 N ATOM 0 H ARG A 69 -9.839 -2.933 3.969 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.061 -1.773 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.062 -4.173 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.798 -4.193 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.243 -3.814 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.617 -3.243 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.000 -5.721 0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.624 -6.049 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.383 -4.622 -2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.866 -7.627 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.093 -8.438 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.390 -5.671 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.825 -7.335 -3.776 1.00 0.00 H new ATOM 1084 N SER A 70 -12.317 -1.644 2.077 1.00 0.00 N ATOM 1085 CA SER A 70 -13.550 -1.020 1.615 1.00 0.00 C ATOM 1086 C SER A 70 -13.462 0.500 1.716 1.00 0.00 C ATOM 1087 O SER A 70 -13.709 1.215 0.744 1.00 0.00 O ATOM 1088 CB SER A 70 -14.741 -1.528 2.430 1.00 0.00 C ATOM 1089 OG SER A 70 -15.956 -0.971 1.959 1.00 0.00 O ATOM 0 H SER A 70 -12.412 -2.175 2.942 1.00 0.00 H new ATOM 0 HA SER A 70 -13.693 -1.289 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.789 -2.615 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.603 -1.272 3.480 1.00 0.00 H new ATOM 0 HG SER A 70 -16.702 -1.312 2.495 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.108 0.988 2.900 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.986 2.423 3.132 1.00 0.00 C ATOM 1097 C LEU A 71 -12.131 3.078 2.052 1.00 0.00 C ATOM 1098 O LEU A 71 -12.472 4.143 1.537 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.379 2.688 4.510 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.299 2.447 5.707 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -13.327 0.970 6.071 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -12.855 3.283 6.898 1.00 0.00 C ATOM 0 H LEU A 71 -12.900 0.411 3.715 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.985 2.858 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.496 2.058 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.038 3.723 4.542 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.309 2.751 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.987 0.818 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.694 0.393 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.320 0.639 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.521 3.099 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.836 3.010 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.889 4.340 6.633 1.00 0.00 H new ATOM 1114 N TYR A 72 -11.020 2.433 1.713 1.00 0.00 N ATOM 1115 CA TYR A 72 -10.116 2.953 0.694 1.00 0.00 C ATOM 1116 C TYR A 72 -10.874 3.294 -0.585 1.00 0.00 C ATOM 1117 O TYR A 72 -10.700 4.372 -1.155 1.00 0.00 O ATOM 1118 CB TYR A 72 -9.016 1.934 0.391 1.00 0.00 C ATOM 1119 CG TYR A 72 -8.085 2.360 -0.722 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -7.443 3.592 -0.684 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.848 1.531 -1.811 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.593 3.985 -1.699 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.999 1.916 -2.830 1.00 0.00 C ATOM 1124 CZ TYR A 72 -6.374 3.144 -2.770 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.526 3.532 -3.782 1.00 0.00 O ATOM 0 H TYR A 72 -10.724 1.550 2.129 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.662 3.866 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.432 1.762 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.477 0.983 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.612 4.253 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.336 0.569 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.102 4.946 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.825 1.259 -3.669 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.480 2.825 -4.460 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.717 2.369 -1.030 1.00 0.00 N ATOM 1136 CA ASP A 73 -12.505 2.571 -2.240 1.00 0.00 C ATOM 1137 C ASP A 73 -13.575 3.636 -2.021 1.00 0.00 C ATOM 1138 O ASP A 73 -13.763 4.522 -2.856 1.00 0.00 O ATOM 1139 CB ASP A 73 -13.157 1.258 -2.675 1.00 0.00 C ATOM 1140 CG ASP A 73 -13.378 1.189 -4.174 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -12.432 1.500 -4.928 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -14.496 0.824 -4.592 1.00 0.00 O ATOM 0 H ASP A 73 -11.872 1.472 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.834 2.913 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.528 0.423 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.113 1.144 -2.164 1.00 0.00 H new ATOM 1147 N ARG A 74 -14.273 3.543 -0.894 1.00 0.00 N ATOM 1148 CA ARG A 74 -15.325 4.498 -0.567 1.00 0.00 C ATOM 1149 C ARG A 74 -14.833 5.931 -0.741 1.00 0.00 C ATOM 1150 O ARG A 74 -15.468 6.738 -1.419 1.00 0.00 O ATOM 1151 CB ARG A 74 -15.808 4.284 0.869 1.00 0.00 C ATOM 1152 CG ARG A 74 -16.374 2.896 1.120 1.00 0.00 C ATOM 1153 CD ARG A 74 -17.368 2.900 2.272 1.00 0.00 C ATOM 1154 NE ARG A 74 -18.546 3.709 1.975 1.00 0.00 N ATOM 1155 CZ ARG A 74 -19.530 3.311 1.176 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -19.476 2.119 0.597 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -20.570 4.104 0.955 1.00 0.00 N ATOM 0 H ARG A 74 -14.129 2.817 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.157 4.333 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.977 4.457 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.572 5.026 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.864 2.533 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.561 2.205 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.676 1.877 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.882 3.283 3.169 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.618 4.631 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.678 1.506 0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.232 1.815 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.615 5.021 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.324 3.797 0.341 1.00 0.00 H new ATOM 1171 N ALA A 75 -13.697 6.240 -0.123 1.00 0.00 N ATOM 1172 CA ALA A 75 -13.119 7.575 -0.211 1.00 0.00 C ATOM 1173 C ALA A 75 -12.537 7.832 -1.597 1.00 0.00 C ATOM 1174 O ALA A 75 -12.783 8.874 -2.201 1.00 0.00 O ATOM 1175 CB ALA A 75 -12.049 7.758 0.855 1.00 0.00 C ATOM 0 H ALA A 75 -13.159 5.584 0.444 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.915 8.300 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.626 8.760 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.493 7.627 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.261 7.019 0.710 1.00 0.00 H new ATOM 1181 N GLY A 76 -11.762 6.873 -2.095 1.00 0.00 N ATOM 1182 CA GLY A 76 -11.156 7.014 -3.406 1.00 0.00 C ATOM 1183 C GLY A 76 -9.820 7.729 -3.353 1.00 0.00 C ATOM 1184 O GLY A 76 -8.815 7.219 -3.849 1.00 0.00 O ATOM 0 H GLY A 76 -11.543 6.001 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.019 6.027 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.834 7.564 -4.059 1.00 0.00 H new ATOM 1188 N CYS A 77 -9.809 8.914 -2.752 1.00 0.00 N ATOM 1189 CA CYS A 77 -8.587 9.702 -2.639 1.00 0.00 C ATOM 1190 C CYS A 77 -8.052 9.674 -1.211 1.00 0.00 C ATOM 1191 O CYS A 77 -8.739 10.077 -0.272 1.00 0.00 O ATOM 1192 CB CYS A 77 -8.844 11.146 -3.071 1.00 0.00 C ATOM 1193 SG CYS A 77 -10.131 11.984 -2.117 1.00 0.00 S ATOM 0 H CYS A 77 -10.632 9.350 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.838 9.261 -3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.916 11.711 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.124 11.154 -4.124 1.00 0.00 H new ATOM 0 HG CYS A 77 -10.120 11.545 -0.893 1.00 0.00 H new ATOM 1199 N ASP A 78 -6.823 9.194 -1.054 1.00 0.00 N ATOM 1200 CA ASP A 78 -6.196 9.112 0.260 1.00 0.00 C ATOM 1201 C ASP A 78 -6.051 10.498 0.880 1.00 0.00 C ATOM 1202 O ASP A 78 -5.332 11.350 0.358 1.00 0.00 O ATOM 1203 CB ASP A 78 -4.826 8.440 0.154 1.00 0.00 C ATOM 1204 CG ASP A 78 -4.824 7.280 -0.822 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -4.896 7.531 -2.043 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -4.750 6.121 -0.364 1.00 0.00 O ATOM 0 H ASP A 78 -6.241 8.856 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.837 8.511 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.087 9.177 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.522 8.083 1.138 1.00 0.00 H new ATOM 1211 N SER A 79 -6.738 10.717 1.996 1.00 0.00 N ATOM 1212 CA SER A 79 -6.689 12.002 2.685 1.00 0.00 C ATOM 1213 C SER A 79 -6.001 11.866 4.039 1.00 0.00 C ATOM 1214 O SER A 79 -6.215 10.893 4.762 1.00 0.00 O ATOM 1215 CB SER A 79 -8.102 12.558 2.871 1.00 0.00 C ATOM 1216 OG SER A 79 -8.089 13.974 2.927 1.00 0.00 O ATOM 0 H SER A 79 -7.335 10.021 2.443 1.00 0.00 H new ATOM 0 HA SER A 79 -6.112 12.694 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.737 12.229 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.536 12.159 3.788 1.00 0.00 H new ATOM 0 HG SER A 79 -9.004 14.305 3.044 1.00 0.00 H new ATOM 1222 N TRP A 80 -5.173 12.848 4.376 1.00 0.00 N ATOM 1223 CA TRP A 80 -4.452 12.840 5.644 1.00 0.00 C ATOM 1224 C TRP A 80 -4.685 14.136 6.411 1.00 0.00 C ATOM 1225 O TRP A 80 -4.245 15.206 5.989 1.00 0.00 O ATOM 1226 CB TRP A 80 -2.955 12.638 5.401 1.00 0.00 C ATOM 1227 CG TRP A 80 -2.557 11.196 5.315 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -2.254 10.496 4.182 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -2.420 10.278 6.404 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -1.937 9.198 4.502 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -2.030 9.039 5.859 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -2.586 10.382 7.788 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -1.807 7.915 6.650 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -2.364 9.265 8.571 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -1.977 8.045 8.001 1.00 0.00 C ATOM 0 H TRP A 80 -4.984 13.660 3.789 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.831 12.012 6.244 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.673 13.141 4.476 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -2.396 13.115 6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.262 10.903 3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.675 8.471 3.837 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.882 11.318 8.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.510 6.973 6.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.491 9.334 9.641 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.810 7.191 8.641 1.00 0.00 H new ATOM 1246 N ARG A 81 -5.379 14.034 7.540 1.00 0.00 N ATOM 1247 CA ARG A 81 -5.671 15.200 8.366 1.00 0.00 C ATOM 1248 C ARG A 81 -5.249 14.960 9.813 1.00 0.00 C ATOM 1249 O ARG A 81 -5.661 13.983 10.436 1.00 0.00 O ATOM 1250 CB ARG A 81 -7.163 15.533 8.306 1.00 0.00 C ATOM 1251 CG ARG A 81 -8.061 14.381 8.728 1.00 0.00 C ATOM 1252 CD ARG A 81 -9.515 14.816 8.827 1.00 0.00 C ATOM 1253 NE ARG A 81 -10.243 14.064 9.845 1.00 0.00 N ATOM 1254 CZ ARG A 81 -10.527 12.771 9.741 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -10.144 12.089 8.670 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -11.193 12.156 10.709 1.00 0.00 N ATOM 0 H ARG A 81 -5.750 13.156 7.904 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.102 16.044 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.361 16.391 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.420 15.829 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.972 13.566 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.729 13.994 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.560 15.880 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.000 14.681 7.860 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.550 14.559 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.630 12.558 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.363 11.096 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.488 12.676 11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.410 11.163 10.627 1.00 0.00 H new ATOM 1270 N ALA A 82 -4.425 15.860 10.340 1.00 0.00 N ATOM 1271 CA ALA A 82 -3.949 15.747 11.713 1.00 0.00 C ATOM 1272 C ALA A 82 -5.114 15.694 12.695 1.00 0.00 C ATOM 1273 O ALA A 82 -5.122 14.883 13.620 1.00 0.00 O ATOM 1274 CB ALA A 82 -3.026 16.910 12.048 1.00 0.00 C ATOM 0 H ALA A 82 -4.074 16.675 9.837 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.390 14.816 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.678 16.813 13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.170 16.902 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.568 17.849 11.935 1.00 0.00 H new ATOM 1280 N GLY A 83 -6.098 16.564 12.488 1.00 0.00 N ATOM 1281 CA GLY A 83 -7.254 16.600 13.364 1.00 0.00 C ATOM 1282 C GLY A 83 -8.092 15.340 13.269 1.00 0.00 C ATOM 1283 O GLY A 83 -7.573 14.260 12.991 1.00 0.00 O ATOM 0 H GLY A 83 -6.115 17.245 11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.922 16.735 14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.871 17.463 13.112 1.00 0.00 H new ATOM 1287 N GLY A 84 -9.394 15.479 13.501 1.00 0.00 N ATOM 1288 CA GLY A 84 -10.285 14.335 13.436 1.00 0.00 C ATOM 1289 C GLY A 84 -9.996 13.314 14.518 1.00 0.00 C ATOM 1290 O GLY A 84 -9.872 13.660 15.692 1.00 0.00 O ATOM 0 H GLY A 84 -9.847 16.363 13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.316 14.676 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.192 13.861 12.459 1.00 0.00 H new ATOM 1294 N GLY A 85 -9.890 12.049 14.123 1.00 0.00 N ATOM 1295 CA GLY A 85 -9.617 10.993 15.080 1.00 0.00 C ATOM 1296 C GLY A 85 -8.423 10.146 14.684 1.00 0.00 C ATOM 1297 O GLY A 85 -8.562 8.955 14.408 1.00 0.00 O ATOM 0 H GLY A 85 -9.988 11.737 13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.437 11.433 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.496 10.355 15.173 1.00 0.00 H new ATOM 1301 N ALA A 86 -7.246 10.763 14.655 1.00 0.00 N ATOM 1302 CA ALA A 86 -6.023 10.059 14.291 1.00 0.00 C ATOM 1303 C ALA A 86 -5.802 8.844 15.186 1.00 0.00 C ATOM 1304 O ALA A 86 -5.516 7.749 14.703 1.00 0.00 O ATOM 1305 CB ALA A 86 -4.829 10.999 14.368 1.00 0.00 C ATOM 0 H ALA A 86 -7.114 11.749 14.879 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.128 9.707 13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.923 10.459 14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.977 11.832 13.681 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.731 11.380 15.385 1.00 0.00 H new ATOM 1311 N SER A 87 -5.935 9.046 16.493 1.00 0.00 N ATOM 1312 CA SER A 87 -5.744 7.968 17.456 1.00 0.00 C ATOM 1313 C SER A 87 -6.766 8.062 18.585 1.00 0.00 C ATOM 1314 O SER A 87 -7.404 9.096 18.776 1.00 0.00 O ATOM 1315 CB SER A 87 -4.327 8.013 18.030 1.00 0.00 C ATOM 1316 OG SER A 87 -3.357 7.860 17.008 1.00 0.00 O ATOM 0 H SER A 87 -6.174 9.946 16.909 1.00 0.00 H new ATOM 0 HA SER A 87 -5.887 7.020 16.937 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.170 8.960 18.546 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.206 7.223 18.771 1.00 0.00 H new ATOM 0 HG SER A 87 -2.460 7.894 17.401 1.00 0.00 H new ATOM 1322 N GLY A 88 -6.915 6.972 19.333 1.00 0.00 N ATOM 1323 CA GLY A 88 -7.860 6.951 20.434 1.00 0.00 C ATOM 1324 C GLY A 88 -8.174 5.544 20.901 1.00 0.00 C ATOM 1325 O GLY A 88 -7.323 4.655 20.879 1.00 0.00 O ATOM 0 H GLY A 88 -6.398 6.104 19.196 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.455 7.525 21.267 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.783 7.443 20.126 1.00 0.00 H new ATOM 1329 N PRO A 89 -9.423 5.327 21.339 1.00 0.00 N ATOM 1330 CA PRO A 89 -9.876 4.020 21.824 1.00 0.00 C ATOM 1331 C PRO A 89 -9.985 2.992 20.703 1.00 0.00 C ATOM 1332 O PRO A 89 -11.031 2.861 20.067 1.00 0.00 O ATOM 1333 CB PRO A 89 -11.257 4.318 22.412 1.00 0.00 C ATOM 1334 CG PRO A 89 -11.724 5.532 21.685 1.00 0.00 C ATOM 1335 CD PRO A 89 -10.490 6.341 21.394 1.00 0.00 C ATOM 0 HA PRO A 89 -9.178 3.587 22.540 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.939 3.481 22.264 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.200 4.497 23.486 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.239 5.261 20.763 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.430 6.101 22.289 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.578 6.884 20.453 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.302 7.081 22.172 1.00 0.00 H new ATOM 1343 N SER A 90 -8.898 2.264 20.465 1.00 0.00 N ATOM 1344 CA SER A 90 -8.872 1.249 19.418 1.00 0.00 C ATOM 1345 C SER A 90 -9.701 0.033 19.819 1.00 0.00 C ATOM 1346 O SER A 90 -10.578 -0.406 19.076 1.00 0.00 O ATOM 1347 CB SER A 90 -7.431 0.825 19.127 1.00 0.00 C ATOM 1348 OG SER A 90 -6.727 1.846 18.441 1.00 0.00 O ATOM 0 H SER A 90 -8.024 2.358 20.983 1.00 0.00 H new ATOM 0 HA SER A 90 -9.306 1.681 18.516 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.921 0.593 20.062 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.431 -0.086 18.529 1.00 0.00 H new ATOM 0 HG SER A 90 -5.809 1.551 18.269 1.00 0.00 H new ATOM 1354 N SER A 91 -9.416 -0.507 21.000 1.00 0.00 N ATOM 1355 CA SER A 91 -10.131 -1.675 21.499 1.00 0.00 C ATOM 1356 C SER A 91 -11.175 -1.270 22.536 1.00 0.00 C ATOM 1357 O SER A 91 -11.266 -0.105 22.919 1.00 0.00 O ATOM 1358 CB SER A 91 -9.151 -2.677 22.111 1.00 0.00 C ATOM 1359 OG SER A 91 -8.618 -3.539 21.120 1.00 0.00 O ATOM 0 H SER A 91 -8.695 -0.154 21.629 1.00 0.00 H new ATOM 0 HA SER A 91 -10.641 -2.144 20.658 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.341 -2.142 22.606 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.658 -3.266 22.875 1.00 0.00 H new ATOM 0 HG SER A 91 -7.993 -4.169 21.536 1.00 0.00 H new ATOM 1365 N GLY A 92 -11.962 -2.243 22.985 1.00 0.00 N ATOM 1366 CA GLY A 92 -12.990 -1.970 23.973 1.00 0.00 C ATOM 1367 C GLY A 92 -13.452 -3.223 24.690 1.00 0.00 C ATOM 1368 O GLY A 92 -12.829 -4.278 24.574 1.00 0.00 O ATOM 0 H GLY A 92 -11.906 -3.215 22.682 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.607 -1.257 24.704 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.843 -1.499 23.485 1.00 0.00 H new TER 1372 GLY A 92