USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 MET CE :methyl 165:sc= 0 (180deg=-0.214) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 165:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 16 SER OG : rot 129:sc= 0.0814 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.336 K(o=0.34,f=-10!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.333 F(o=-4!,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -0.465 (180deg=-1.99) USER MOD Single : A 35 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.17) USER MOD Single : A 38 SER OG : rot 82:sc= 1.37 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 41 SER OG : rot -52:sc= 0.223 USER MOD Single : A 44 SER OG : rot 20:sc= 0.0972 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 48 TYR OH : rot -142:sc= 0.13 USER MOD Single : A 49 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.14) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.128 F(o=-1.8!,f=-0.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 84:sc= 0.61 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.052) USER MOD Single : A 67 HIS : no HE2:sc= 0.98 K(o=0.98,f=-5.1!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.713 6.567 10.054 1.00 72.02 N ATOM 2 CA MET A 1 -6.856 7.770 10.117 1.00 2.13 C ATOM 3 C MET A 1 -7.595 8.998 9.596 1.00 63.43 C ATOM 4 O MET A 1 -7.651 10.024 10.281 1.00 34.01 O ATOM 5 CB MET A 1 -5.574 7.562 9.304 1.00 35.32 C ATOM 6 CG MET A 1 -4.679 8.790 9.265 1.00 54.34 C ATOM 7 SD MET A 1 -3.197 8.550 8.269 1.00 24.45 S ATOM 8 CE MET A 1 -2.490 10.193 8.343 1.00 24.40 C ATOM 0 H1 MET A 1 -7.186 5.746 10.414 1.00 72.02 H new ATOM 0 H2 MET A 1 -8.563 6.715 10.635 1.00 72.02 H new ATOM 0 H3 MET A 1 -7.994 6.392 9.068 1.00 72.02 H new ATOM 0 HA MET A 1 -6.596 7.935 11.163 1.00 2.13 H new ATOM 0 HB2 MET A 1 -5.015 6.727 9.728 1.00 35.32 H new ATOM 0 HB3 MET A 1 -5.840 7.283 8.285 1.00 35.32 H new ATOM 0 HG2 MET A 1 -5.245 9.633 8.867 1.00 54.34 H new ATOM 0 HG3 MET A 1 -4.388 9.053 10.282 1.00 54.34 H new ATOM 0 HE1 MET A 1 -1.452 10.158 8.011 1.00 24.40 H new ATOM 0 HE2 MET A 1 -3.056 10.862 7.695 1.00 24.40 H new ATOM 0 HE3 MET A 1 -2.531 10.561 9.368 1.00 24.40 H new ATOM 20 N ILE A 2 -8.165 8.883 8.390 1.00 51.24 N ATOM 21 CA ILE A 2 -8.823 10.007 7.710 1.00 21.30 C ATOM 22 C ILE A 2 -7.790 11.039 7.254 1.00 21.34 C ATOM 23 O ILE A 2 -6.890 11.414 8.007 1.00 52.34 O ATOM 24 CB ILE A 2 -9.900 10.683 8.600 1.00 1.13 C ATOM 25 CG1 ILE A 2 -11.022 9.691 8.921 1.00 40.23 C ATOM 26 CG2 ILE A 2 -10.468 11.928 7.926 1.00 41.31 C ATOM 27 CD1 ILE A 2 -11.727 9.141 7.696 1.00 20.14 C ATOM 0 H ILE A 2 -8.184 8.012 7.859 1.00 51.24 H new ATOM 0 HA ILE A 2 -9.331 9.598 6.836 1.00 21.30 H new ATOM 0 HB ILE A 2 -9.425 10.992 9.531 1.00 1.13 H new ATOM 0 HG12 ILE A 2 -10.607 8.861 9.492 1.00 40.23 H new ATOM 0 HG13 ILE A 2 -11.756 10.182 9.560 1.00 40.23 H new ATOM 0 HG21 ILE A 2 -11.220 12.381 8.572 1.00 41.31 H new ATOM 0 HG22 ILE A 2 -9.665 12.643 7.747 1.00 41.31 H new ATOM 0 HG23 ILE A 2 -10.925 11.651 6.976 1.00 41.31 H new ATOM 0 HD11 ILE A 2 -12.508 8.446 8.007 1.00 20.14 H new ATOM 0 HD12 ILE A 2 -12.174 9.961 7.134 1.00 20.14 H new ATOM 0 HD13 ILE A 2 -11.007 8.619 7.065 1.00 20.14 H new ATOM 39 N GLY A 3 -7.918 11.491 6.017 1.00 44.53 N ATOM 40 CA GLY A 3 -6.918 12.367 5.447 1.00 50.33 C ATOM 41 C GLY A 3 -5.950 11.576 4.604 1.00 0.41 C ATOM 42 O GLY A 3 -4.761 11.493 4.918 1.00 73.13 O ATOM 0 H GLY A 3 -8.697 11.267 5.397 1.00 44.53 H new ATOM 0 HA2 GLY A 3 -7.399 13.133 4.839 1.00 50.33 H new ATOM 0 HA3 GLY A 3 -6.381 12.883 6.243 1.00 50.33 H new ATOM 46 N ASP A 4 -6.481 10.982 3.543 1.00 10.04 N ATOM 47 CA ASP A 4 -5.723 10.073 2.690 1.00 61.24 C ATOM 48 C ASP A 4 -4.575 10.776 1.966 1.00 24.43 C ATOM 49 O ASP A 4 -3.448 10.799 2.461 1.00 14.03 O ATOM 50 CB ASP A 4 -6.657 9.386 1.680 1.00 3.20 C ATOM 51 CG ASP A 4 -7.682 10.335 1.074 1.00 51.15 C ATOM 52 OD1 ASP A 4 -8.783 10.473 1.648 1.00 74.23 O ATOM 53 OD2 ASP A 4 -7.391 10.949 0.024 1.00 15.02 O ATOM 0 H ASP A 4 -7.448 11.116 3.249 1.00 10.04 H new ATOM 0 HA ASP A 4 -5.277 9.318 3.338 1.00 61.24 H new ATOM 0 HB2 ASP A 4 -6.059 8.948 0.881 1.00 3.20 H new ATOM 0 HB3 ASP A 4 -7.178 8.566 2.175 1.00 3.20 H new ATOM 58 N TYR A 5 -4.856 11.365 0.812 1.00 22.34 N ATOM 59 CA TYR A 5 -3.809 11.970 0.005 1.00 20.25 C ATOM 60 C TYR A 5 -4.413 12.776 -1.136 1.00 21.13 C ATOM 61 O TYR A 5 -4.326 14.003 -1.159 1.00 32.11 O ATOM 62 CB TYR A 5 -2.893 10.878 -0.560 1.00 32.23 C ATOM 63 CG TYR A 5 -1.523 11.364 -0.977 1.00 12.32 C ATOM 64 CD1 TYR A 5 -1.343 12.107 -2.136 1.00 31.41 C ATOM 65 CD2 TYR A 5 -0.407 11.073 -0.206 1.00 41.13 C ATOM 66 CE1 TYR A 5 -0.088 12.545 -2.513 1.00 72.31 C ATOM 67 CE2 TYR A 5 0.848 11.508 -0.575 1.00 44.21 C ATOM 68 CZ TYR A 5 1.002 12.241 -1.729 1.00 44.01 C ATOM 69 OH TYR A 5 2.251 12.683 -2.095 1.00 1.30 O ATOM 0 H TYR A 5 -5.794 11.436 0.417 1.00 22.34 H new ATOM 0 HA TYR A 5 -3.227 12.641 0.636 1.00 20.25 H new ATOM 0 HB2 TYR A 5 -2.775 10.096 0.190 1.00 32.23 H new ATOM 0 HB3 TYR A 5 -3.381 10.422 -1.421 1.00 32.23 H new ATOM 0 HD1 TYR A 5 -2.197 12.346 -2.752 1.00 31.41 H new ATOM 0 HD2 TYR A 5 -0.523 10.496 0.699 1.00 41.13 H new ATOM 0 HE1 TYR A 5 0.037 13.122 -3.417 1.00 72.31 H new ATOM 0 HE2 TYR A 5 1.706 11.275 0.038 1.00 44.21 H new ATOM 0 HH TYR A 5 2.864 12.599 -1.335 1.00 1.30 H new ATOM 79 N TYR A 6 -5.031 12.074 -2.077 1.00 45.31 N ATOM 80 CA TYR A 6 -5.605 12.707 -3.254 1.00 1.55 C ATOM 81 C TYR A 6 -6.673 11.796 -3.853 1.00 2.30 C ATOM 82 O TYR A 6 -7.865 12.092 -3.765 1.00 13.12 O ATOM 83 CB TYR A 6 -4.499 12.999 -4.272 1.00 40.13 C ATOM 84 CG TYR A 6 -4.825 14.092 -5.265 1.00 61.12 C ATOM 85 CD1 TYR A 6 -4.953 15.412 -4.850 1.00 72.01 C ATOM 86 CD2 TYR A 6 -4.980 13.813 -6.616 1.00 40.34 C ATOM 87 CE1 TYR A 6 -5.228 16.420 -5.752 1.00 2.54 C ATOM 88 CE2 TYR A 6 -5.258 14.817 -7.525 1.00 40.44 C ATOM 89 CZ TYR A 6 -5.382 16.119 -7.087 1.00 43.51 C ATOM 90 OH TYR A 6 -5.651 17.125 -7.991 1.00 45.02 O ATOM 0 H TYR A 6 -5.147 11.061 -2.046 1.00 45.31 H new ATOM 0 HA TYR A 6 -6.073 13.651 -2.976 1.00 1.55 H new ATOM 0 HB2 TYR A 6 -3.592 13.275 -3.734 1.00 40.13 H new ATOM 0 HB3 TYR A 6 -4.278 12.083 -4.820 1.00 40.13 H new ATOM 0 HD1 TYR A 6 -4.835 15.653 -3.804 1.00 72.01 H new ATOM 0 HD2 TYR A 6 -4.882 12.795 -6.963 1.00 40.34 H new ATOM 0 HE1 TYR A 6 -5.322 17.441 -5.412 1.00 2.54 H new ATOM 0 HE2 TYR A 6 -5.377 14.583 -8.573 1.00 40.44 H new ATOM 0 HH TYR A 6 -5.729 16.744 -8.891 1.00 45.02 H new ATOM 100 N ILE A 7 -6.235 10.674 -4.435 1.00 44.44 N ATOM 101 CA ILE A 7 -7.143 9.643 -4.956 1.00 1.34 C ATOM 102 C ILE A 7 -7.856 10.092 -6.240 1.00 74.45 C ATOM 103 O ILE A 7 -8.219 11.259 -6.395 1.00 13.15 O ATOM 104 CB ILE A 7 -8.182 9.211 -3.887 1.00 5.31 C ATOM 105 CG1 ILE A 7 -7.481 8.460 -2.750 1.00 51.15 C ATOM 106 CG2 ILE A 7 -9.287 8.354 -4.493 1.00 70.41 C ATOM 107 CD1 ILE A 7 -8.420 7.978 -1.663 1.00 22.12 C ATOM 0 H ILE A 7 -5.247 10.455 -4.558 1.00 44.44 H new ATOM 0 HA ILE A 7 -6.523 8.782 -5.205 1.00 1.34 H new ATOM 0 HB ILE A 7 -8.649 10.111 -3.487 1.00 5.31 H new ATOM 0 HG12 ILE A 7 -6.952 7.603 -3.166 1.00 51.15 H new ATOM 0 HG13 ILE A 7 -6.730 9.113 -2.305 1.00 51.15 H new ATOM 0 HG21 ILE A 7 -9.996 8.070 -3.715 1.00 70.41 H new ATOM 0 HG22 ILE A 7 -9.805 8.921 -5.266 1.00 70.41 H new ATOM 0 HG23 ILE A 7 -8.852 7.456 -4.932 1.00 70.41 H new ATOM 0 HD11 ILE A 7 -7.850 7.456 -0.895 1.00 22.12 H new ATOM 0 HD12 ILE A 7 -8.931 8.832 -1.219 1.00 22.12 H new ATOM 0 HD13 ILE A 7 -9.156 7.298 -2.093 1.00 22.12 H new ATOM 119 N ASN A 8 -8.046 9.147 -7.164 1.00 54.25 N ATOM 120 CA ASN A 8 -8.703 9.427 -8.435 1.00 52.02 C ATOM 121 C ASN A 8 -10.037 8.683 -8.524 1.00 31.55 C ATOM 122 O ASN A 8 -10.102 7.557 -9.029 1.00 33.13 O ATOM 123 CB ASN A 8 -7.787 9.040 -9.608 1.00 42.45 C ATOM 124 CG ASN A 8 -8.321 9.479 -10.969 1.00 43.33 C ATOM 125 OD1 ASN A 8 -9.528 9.531 -11.204 1.00 2.02 O ATOM 126 ND2 ASN A 8 -7.414 9.791 -11.880 1.00 25.34 N ATOM 0 H ASN A 8 -7.751 8.177 -7.051 1.00 54.25 H new ATOM 0 HA ASN A 8 -8.904 10.497 -8.493 1.00 52.02 H new ATOM 0 HB2 ASN A 8 -6.804 9.484 -9.452 1.00 42.45 H new ATOM 0 HB3 ASN A 8 -7.652 7.958 -9.611 1.00 42.45 H new ATOM 0 HD21 ASN A 8 -7.707 10.086 -12.811 1.00 25.34 H new ATOM 0 HD22 ASN A 8 -6.422 9.737 -11.651 1.00 25.34 H new ATOM 133 N ALA A 9 -11.078 9.313 -7.981 1.00 24.45 N ATOM 134 CA ALA A 9 -12.458 8.835 -8.085 1.00 24.10 C ATOM 135 C ALA A 9 -12.704 7.525 -7.329 1.00 44.44 C ATOM 136 O ALA A 9 -13.199 7.536 -6.201 1.00 32.11 O ATOM 137 CB ALA A 9 -12.869 8.692 -9.544 1.00 12.31 C ATOM 0 H ALA A 9 -10.987 10.179 -7.450 1.00 24.45 H new ATOM 0 HA ALA A 9 -13.080 9.591 -7.606 1.00 24.10 H new ATOM 0 HB1 ALA A 9 -13.898 8.336 -9.599 1.00 12.31 H new ATOM 0 HB2 ALA A 9 -12.793 9.660 -10.040 1.00 12.31 H new ATOM 0 HB3 ALA A 9 -12.211 7.978 -10.039 1.00 12.31 H new ATOM 143 N SER A 10 -12.358 6.404 -7.952 1.00 53.23 N ATOM 144 CA SER A 10 -12.730 5.093 -7.431 1.00 54.14 C ATOM 145 C SER A 10 -11.790 4.627 -6.318 1.00 14.14 C ATOM 146 O SER A 10 -12.219 4.430 -5.181 1.00 33.21 O ATOM 147 CB SER A 10 -12.741 4.070 -8.567 1.00 11.31 C ATOM 148 OG SER A 10 -13.428 4.577 -9.700 1.00 53.42 O ATOM 0 H SER A 10 -11.821 6.376 -8.818 1.00 53.23 H new ATOM 0 HA SER A 10 -13.727 5.180 -7.000 1.00 54.14 H new ATOM 0 HB2 SER A 10 -11.717 3.815 -8.842 1.00 11.31 H new ATOM 0 HB3 SER A 10 -13.219 3.150 -8.229 1.00 11.31 H new ATOM 0 HG SER A 10 -13.421 3.906 -10.414 1.00 53.42 H new ATOM 154 N ALA A 11 -10.511 4.445 -6.665 1.00 15.32 N ATOM 155 CA ALA A 11 -9.496 3.951 -5.729 1.00 31.32 C ATOM 156 C ALA A 11 -9.793 2.525 -5.258 1.00 63.23 C ATOM 157 O ALA A 11 -10.755 1.901 -5.706 1.00 12.15 O ATOM 158 CB ALA A 11 -9.364 4.884 -4.531 1.00 42.55 C ATOM 0 H ALA A 11 -10.151 4.636 -7.600 1.00 15.32 H new ATOM 0 HA ALA A 11 -8.549 3.930 -6.268 1.00 31.32 H new ATOM 0 HB1 ALA A 11 -8.605 4.497 -3.850 1.00 42.55 H new ATOM 0 HB2 ALA A 11 -9.072 5.877 -4.873 1.00 42.55 H new ATOM 0 HB3 ALA A 11 -10.320 4.946 -4.011 1.00 42.55 H new ATOM 164 N LEU A 12 -8.914 2.008 -4.390 1.00 42.32 N ATOM 165 CA LEU A 12 -9.102 0.710 -3.717 1.00 25.53 C ATOM 166 C LEU A 12 -9.091 -0.480 -4.683 1.00 35.12 C ATOM 167 O LEU A 12 -9.255 -1.622 -4.261 1.00 21.15 O ATOM 168 CB LEU A 12 -10.410 0.711 -2.915 1.00 23.21 C ATOM 169 CG LEU A 12 -10.516 1.790 -1.831 1.00 30.12 C ATOM 170 CD1 LEU A 12 -11.862 1.711 -1.130 1.00 63.22 C ATOM 171 CD2 LEU A 12 -9.385 1.658 -0.822 1.00 3.20 C ATOM 0 H LEU A 12 -8.047 2.479 -4.131 1.00 42.32 H new ATOM 0 HA LEU A 12 -8.251 0.586 -3.048 1.00 25.53 H new ATOM 0 HB2 LEU A 12 -11.242 0.834 -3.609 1.00 23.21 H new ATOM 0 HB3 LEU A 12 -10.529 -0.265 -2.445 1.00 23.21 H new ATOM 0 HG LEU A 12 -10.431 2.764 -2.313 1.00 30.12 H new ATOM 0 HD11 LEU A 12 -11.919 2.484 -0.364 1.00 63.22 H new ATOM 0 HD12 LEU A 12 -12.660 1.861 -1.857 1.00 63.22 H new ATOM 0 HD13 LEU A 12 -11.973 0.731 -0.666 1.00 63.22 H new ATOM 0 HD21 LEU A 12 -9.482 2.434 -0.063 1.00 3.20 H new ATOM 0 HD22 LEU A 12 -9.434 0.678 -0.347 1.00 3.20 H new ATOM 0 HD23 LEU A 12 -8.428 1.767 -1.332 1.00 3.20 H new ATOM 183 N ASN A 13 -8.894 -0.212 -5.966 1.00 55.14 N ATOM 184 CA ASN A 13 -8.947 -1.250 -6.997 1.00 52.22 C ATOM 185 C ASN A 13 -7.622 -1.397 -7.741 1.00 63.43 C ATOM 186 O ASN A 13 -7.553 -2.087 -8.759 1.00 61.53 O ATOM 187 CB ASN A 13 -10.079 -0.965 -7.984 1.00 21.33 C ATOM 188 CG ASN A 13 -11.430 -1.419 -7.467 1.00 73.35 C ATOM 189 OD1 ASN A 13 -11.531 -2.410 -6.751 1.00 72.35 O ATOM 190 ND2 ASN A 13 -12.479 -0.696 -7.826 1.00 11.03 N ATOM 0 H ASN A 13 -8.694 0.722 -6.324 1.00 55.14 H new ATOM 0 HA ASN A 13 -9.140 -2.195 -6.490 1.00 52.22 H new ATOM 0 HB2 ASN A 13 -10.114 0.104 -8.192 1.00 21.33 H new ATOM 0 HB3 ASN A 13 -9.868 -1.467 -8.928 1.00 21.33 H new ATOM 0 HD21 ASN A 13 -13.412 -0.957 -7.506 1.00 11.03 H new ATOM 0 HD22 ASN A 13 -12.355 0.122 -8.423 1.00 11.03 H new ATOM 197 N VAL A 14 -6.582 -0.742 -7.240 1.00 43.32 N ATOM 198 CA VAL A 14 -5.322 -0.637 -7.965 1.00 4.13 C ATOM 199 C VAL A 14 -4.638 -1.994 -8.120 1.00 42.33 C ATOM 200 O VAL A 14 -4.398 -2.450 -9.235 1.00 51.10 O ATOM 201 CB VAL A 14 -4.352 0.323 -7.253 1.00 2.05 C ATOM 202 CG1 VAL A 14 -3.079 0.480 -8.065 1.00 21.24 C ATOM 203 CG2 VAL A 14 -5.010 1.673 -7.007 1.00 62.41 C ATOM 0 H VAL A 14 -6.586 -0.275 -6.333 1.00 43.32 H new ATOM 0 HA VAL A 14 -5.568 -0.249 -8.954 1.00 4.13 H new ATOM 0 HB VAL A 14 -4.092 -0.102 -6.284 1.00 2.05 H new ATOM 0 HG11 VAL A 14 -2.401 1.161 -7.551 1.00 21.24 H new ATOM 0 HG12 VAL A 14 -2.599 -0.492 -8.180 1.00 21.24 H new ATOM 0 HG13 VAL A 14 -3.322 0.883 -9.048 1.00 21.24 H new ATOM 0 HG21 VAL A 14 -4.306 2.335 -6.503 1.00 62.41 H new ATOM 0 HG22 VAL A 14 -5.304 2.114 -7.960 1.00 62.41 H new ATOM 0 HG23 VAL A 14 -5.893 1.539 -6.382 1.00 62.41 H new ATOM 213 N ARG A 15 -4.328 -2.617 -6.986 1.00 63.01 N ATOM 214 CA ARG A 15 -3.587 -3.879 -6.948 1.00 73.53 C ATOM 215 C ARG A 15 -2.155 -3.694 -7.462 1.00 34.31 C ATOM 216 O ARG A 15 -1.831 -4.070 -8.586 1.00 71.44 O ATOM 217 CB ARG A 15 -4.317 -4.989 -7.728 1.00 14.01 C ATOM 218 CG ARG A 15 -3.553 -6.309 -7.787 1.00 54.22 C ATOM 219 CD ARG A 15 -4.329 -7.379 -8.541 1.00 44.04 C ATOM 220 NE ARG A 15 -5.148 -8.206 -7.649 1.00 72.55 N ATOM 221 CZ ARG A 15 -6.477 -8.157 -7.588 1.00 31.11 C ATOM 222 NH1 ARG A 15 -7.148 -7.237 -8.274 1.00 61.32 N ATOM 223 NH2 ARG A 15 -7.132 -9.020 -6.821 1.00 20.31 N ATOM 0 H ARG A 15 -4.583 -2.262 -6.065 1.00 63.01 H new ATOM 0 HA ARG A 15 -3.532 -4.194 -5.906 1.00 73.53 H new ATOM 0 HB2 ARG A 15 -5.289 -5.164 -7.267 1.00 14.01 H new ATOM 0 HB3 ARG A 15 -4.503 -4.643 -8.745 1.00 14.01 H new ATOM 0 HG2 ARG A 15 -2.590 -6.150 -8.271 1.00 54.22 H new ATOM 0 HG3 ARG A 15 -3.347 -6.655 -6.774 1.00 54.22 H new ATOM 0 HD2 ARG A 15 -4.971 -6.904 -9.283 1.00 44.04 H new ATOM 0 HD3 ARG A 15 -3.631 -8.016 -9.084 1.00 44.04 H new ATOM 0 HE ARG A 15 -4.667 -8.863 -7.034 1.00 72.55 H new ATOM 0 HH11 ARG A 15 -6.645 -6.563 -8.851 1.00 61.32 H new ATOM 0 HH12 ARG A 15 -8.166 -7.205 -8.223 1.00 61.32 H new ATOM 0 HH21 ARG A 15 -6.617 -9.716 -6.282 1.00 20.31 H new ATOM 0 HH22 ARG A 15 -8.150 -8.987 -6.771 1.00 20.31 H new ATOM 237 N SER A 16 -1.320 -3.065 -6.624 1.00 71.44 N ATOM 238 CA SER A 16 0.122 -2.918 -6.872 1.00 53.45 C ATOM 239 C SER A 16 0.442 -2.392 -8.275 1.00 61.33 C ATOM 240 O SER A 16 1.487 -2.701 -8.840 1.00 63.32 O ATOM 241 CB SER A 16 0.837 -4.248 -6.603 1.00 3.24 C ATOM 242 OG SER A 16 0.256 -5.319 -7.329 1.00 42.41 O ATOM 0 H SER A 16 -1.627 -2.641 -5.749 1.00 71.44 H new ATOM 0 HA SER A 16 0.492 -2.162 -6.179 1.00 53.45 H new ATOM 0 HB2 SER A 16 1.889 -4.155 -6.873 1.00 3.24 H new ATOM 0 HB3 SER A 16 0.800 -4.470 -5.537 1.00 3.24 H new ATOM 0 HG SER A 16 0.955 -5.798 -7.821 1.00 42.41 H new ATOM 248 N GLY A 17 -0.449 -1.564 -8.812 1.00 42.14 N ATOM 249 CA GLY A 17 -0.227 -0.985 -10.122 1.00 63.24 C ATOM 250 C GLY A 17 0.709 0.206 -10.068 1.00 4.33 C ATOM 251 O GLY A 17 1.105 0.747 -11.100 1.00 70.22 O ATOM 0 H GLY A 17 -1.321 -1.284 -8.362 1.00 42.14 H new ATOM 0 HA2 GLY A 17 0.189 -1.742 -10.787 1.00 63.24 H new ATOM 0 HA3 GLY A 17 -1.182 -0.676 -10.548 1.00 63.24 H new ATOM 255 N GLU A 18 1.055 0.619 -8.858 1.00 60.31 N ATOM 256 CA GLU A 18 1.970 1.728 -8.652 1.00 61.32 C ATOM 257 C GLU A 18 2.724 1.537 -7.346 1.00 44.31 C ATOM 258 O GLU A 18 2.153 1.670 -6.264 1.00 31.45 O ATOM 259 CB GLU A 18 1.209 3.058 -8.648 1.00 34.14 C ATOM 260 CG GLU A 18 2.082 4.274 -8.372 1.00 2.03 C ATOM 261 CD GLU A 18 3.346 4.295 -9.208 1.00 13.21 C ATOM 262 OE1 GLU A 18 3.247 4.255 -10.455 1.00 12.01 O ATOM 263 OE2 GLU A 18 4.448 4.333 -8.623 1.00 3.43 O ATOM 0 H GLU A 18 0.711 0.196 -7.996 1.00 60.31 H new ATOM 0 HA GLU A 18 2.688 1.752 -9.472 1.00 61.32 H new ATOM 0 HB2 GLU A 18 0.720 3.187 -9.614 1.00 34.14 H new ATOM 0 HB3 GLU A 18 0.422 3.011 -7.896 1.00 34.14 H new ATOM 0 HG2 GLU A 18 1.508 5.179 -8.568 1.00 2.03 H new ATOM 0 HG3 GLU A 18 2.351 4.290 -7.316 1.00 2.03 H new ATOM 270 N GLY A 19 3.998 1.203 -7.460 1.00 42.51 N ATOM 271 CA GLY A 19 4.819 0.980 -6.291 1.00 73.32 C ATOM 272 C GLY A 19 6.154 0.372 -6.658 1.00 43.11 C ATOM 273 O GLY A 19 6.472 0.242 -7.841 1.00 41.43 O ATOM 0 H GLY A 19 4.482 1.081 -8.350 1.00 42.51 H new ATOM 0 HA2 GLY A 19 4.979 1.925 -5.772 1.00 73.32 H new ATOM 0 HA3 GLY A 19 4.296 0.321 -5.598 1.00 73.32 H new ATOM 277 N THR A 20 6.934 -0.003 -5.655 1.00 41.11 N ATOM 278 CA THR A 20 8.244 -0.599 -5.889 1.00 1.20 C ATOM 279 C THR A 20 8.121 -2.097 -6.157 1.00 73.12 C ATOM 280 O THR A 20 8.974 -2.698 -6.809 1.00 31.42 O ATOM 281 CB THR A 20 9.195 -0.354 -4.692 1.00 74.44 C ATOM 282 OG1 THR A 20 10.476 -0.949 -4.934 1.00 13.31 O ATOM 283 CG2 THR A 20 8.611 -0.910 -3.398 1.00 32.54 C ATOM 0 H THR A 20 6.684 0.094 -4.671 1.00 41.11 H new ATOM 0 HA THR A 20 8.668 -0.118 -6.770 1.00 1.20 H new ATOM 0 HB THR A 20 9.314 0.724 -4.585 1.00 74.44 H new ATOM 0 HG1 THR A 20 11.064 -0.783 -4.168 1.00 13.31 H new ATOM 0 HG21 THR A 20 9.302 -0.722 -2.577 1.00 32.54 H new ATOM 0 HG22 THR A 20 7.659 -0.422 -3.190 1.00 32.54 H new ATOM 0 HG23 THR A 20 8.454 -1.984 -3.502 1.00 32.54 H new ATOM 291 N ASN A 21 7.043 -2.687 -5.669 1.00 24.11 N ATOM 292 CA ASN A 21 6.805 -4.108 -5.841 1.00 53.53 C ATOM 293 C ASN A 21 5.442 -4.299 -6.486 1.00 33.20 C ATOM 294 O ASN A 21 4.463 -3.672 -6.081 1.00 4.22 O ATOM 295 CB ASN A 21 6.889 -4.825 -4.486 1.00 51.24 C ATOM 296 CG ASN A 21 6.891 -6.340 -4.601 1.00 32.10 C ATOM 297 OD1 ASN A 21 6.253 -6.917 -5.480 1.00 32.35 O ATOM 298 ND2 ASN A 21 7.624 -6.996 -3.718 1.00 1.31 N ATOM 0 H ASN A 21 6.315 -2.199 -5.147 1.00 24.11 H new ATOM 0 HA ASN A 21 7.567 -4.542 -6.489 1.00 53.53 H new ATOM 0 HB2 ASN A 21 7.795 -4.506 -3.971 1.00 51.24 H new ATOM 0 HB3 ASN A 21 6.046 -4.517 -3.868 1.00 51.24 H new ATOM 0 HD21 ASN A 21 7.674 -8.014 -3.752 1.00 1.31 H new ATOM 0 HD22 ASN A 21 8.140 -6.484 -3.003 1.00 1.31 H new ATOM 305 N TYR A 22 5.383 -5.143 -7.499 1.00 73.24 N ATOM 306 CA TYR A 22 4.168 -5.301 -8.290 1.00 73.12 C ATOM 307 C TYR A 22 3.405 -6.554 -7.874 1.00 72.43 C ATOM 308 O TYR A 22 2.445 -6.958 -8.529 1.00 33.42 O ATOM 309 CB TYR A 22 4.517 -5.360 -9.778 1.00 51.15 C ATOM 310 CG TYR A 22 5.520 -4.309 -10.204 1.00 33.54 C ATOM 311 CD1 TYR A 22 5.324 -2.963 -9.906 1.00 63.23 C ATOM 312 CD2 TYR A 22 6.671 -4.666 -10.894 1.00 13.45 C ATOM 313 CE1 TYR A 22 6.243 -2.009 -10.288 1.00 41.13 C ATOM 314 CE2 TYR A 22 7.597 -3.716 -11.276 1.00 14.32 C ATOM 315 CZ TYR A 22 7.377 -2.390 -10.973 1.00 4.51 C ATOM 316 OH TYR A 22 8.297 -1.440 -11.350 1.00 71.55 O ATOM 0 H TYR A 22 6.161 -5.732 -7.797 1.00 73.24 H new ATOM 0 HA TYR A 22 3.525 -4.439 -8.109 1.00 73.12 H new ATOM 0 HB2 TYR A 22 4.916 -6.347 -10.011 1.00 51.15 H new ATOM 0 HB3 TYR A 22 3.605 -5.239 -10.362 1.00 51.15 H new ATOM 0 HD1 TYR A 22 4.438 -2.662 -9.367 1.00 63.23 H new ATOM 0 HD2 TYR A 22 6.845 -5.704 -11.136 1.00 13.45 H new ATOM 0 HE1 TYR A 22 6.075 -0.969 -10.052 1.00 41.13 H new ATOM 0 HE2 TYR A 22 8.489 -4.010 -11.809 1.00 14.32 H new ATOM 0 HH TYR A 22 9.039 -1.872 -11.823 1.00 71.55 H new ATOM 326 N ARG A 23 3.850 -7.182 -6.796 1.00 5.13 N ATOM 327 CA ARG A 23 3.208 -8.390 -6.301 1.00 3.35 C ATOM 328 C ARG A 23 2.604 -8.166 -4.910 1.00 53.20 C ATOM 329 O ARG A 23 2.007 -9.073 -4.334 1.00 61.41 O ATOM 330 CB ARG A 23 4.226 -9.529 -6.245 1.00 22.04 C ATOM 331 CG ARG A 23 3.610 -10.914 -6.163 1.00 10.51 C ATOM 332 CD ARG A 23 4.652 -11.947 -5.774 1.00 20.13 C ATOM 333 NE ARG A 23 4.165 -13.313 -5.931 1.00 52.52 N ATOM 334 CZ ARG A 23 3.708 -14.063 -4.929 1.00 23.13 C ATOM 335 NH1 ARG A 23 3.560 -13.544 -3.716 1.00 51.21 N ATOM 336 NH2 ARG A 23 3.374 -15.327 -5.155 1.00 3.44 N ATOM 0 H ARG A 23 4.653 -6.875 -6.247 1.00 5.13 H new ATOM 0 HA ARG A 23 2.400 -8.652 -6.985 1.00 3.35 H new ATOM 0 HB2 ARG A 23 4.860 -9.478 -7.130 1.00 22.04 H new ATOM 0 HB3 ARG A 23 4.873 -9.380 -5.381 1.00 22.04 H new ATOM 0 HG2 ARG A 23 2.801 -10.914 -5.432 1.00 10.51 H new ATOM 0 HG3 ARG A 23 3.171 -11.179 -7.125 1.00 10.51 H new ATOM 0 HD2 ARG A 23 5.543 -11.809 -6.386 1.00 20.13 H new ATOM 0 HD3 ARG A 23 4.950 -11.787 -4.738 1.00 20.13 H new ATOM 0 HE ARG A 23 4.175 -13.720 -6.866 1.00 52.52 H new ATOM 0 HH11 ARG A 23 3.797 -12.566 -3.547 1.00 51.21 H new ATOM 0 HH12 ARG A 23 3.210 -14.123 -2.953 1.00 51.21 H new ATOM 0 HH21 ARG A 23 3.468 -15.720 -6.092 1.00 3.44 H new ATOM 0 HH22 ARG A 23 3.024 -15.906 -4.392 1.00 3.44 H new ATOM 350 N ILE A 24 2.761 -6.959 -4.372 1.00 65.42 N ATOM 351 CA ILE A 24 2.346 -6.680 -2.994 1.00 12.41 C ATOM 352 C ILE A 24 0.888 -6.230 -2.897 1.00 4.42 C ATOM 353 O ILE A 24 0.395 -5.952 -1.804 1.00 35.21 O ATOM 354 CB ILE A 24 3.274 -5.658 -2.294 1.00 34.50 C ATOM 355 CG1 ILE A 24 3.634 -4.486 -3.213 1.00 42.33 C ATOM 356 CG2 ILE A 24 4.534 -6.351 -1.804 1.00 4.22 C ATOM 357 CD1 ILE A 24 2.506 -3.505 -3.449 1.00 72.20 C ATOM 0 H ILE A 24 3.169 -6.163 -4.862 1.00 65.42 H new ATOM 0 HA ILE A 24 2.434 -7.630 -2.467 1.00 12.41 H new ATOM 0 HB ILE A 24 2.731 -5.248 -1.442 1.00 34.50 H new ATOM 0 HG12 ILE A 24 4.481 -3.950 -2.783 1.00 42.33 H new ATOM 0 HG13 ILE A 24 3.962 -4.882 -4.174 1.00 42.33 H new ATOM 0 HG21 ILE A 24 5.181 -5.624 -1.313 1.00 4.22 H new ATOM 0 HG22 ILE A 24 4.266 -7.135 -1.096 1.00 4.22 H new ATOM 0 HG23 ILE A 24 5.060 -6.791 -2.651 1.00 4.22 H new ATOM 0 HD11 ILE A 24 2.849 -2.709 -4.110 1.00 72.20 H new ATOM 0 HD12 ILE A 24 1.664 -4.022 -3.910 1.00 72.20 H new ATOM 0 HD13 ILE A 24 2.191 -3.076 -2.497 1.00 72.20 H new ATOM 369 N ILE A 25 0.210 -6.157 -4.048 1.00 72.21 N ATOM 370 CA ILE A 25 -1.230 -5.860 -4.105 1.00 51.43 C ATOM 371 C ILE A 25 -1.520 -4.409 -3.681 1.00 2.13 C ATOM 372 O ILE A 25 -0.628 -3.683 -3.255 1.00 3.34 O ATOM 373 CB ILE A 25 -2.046 -6.836 -3.211 1.00 64.01 C ATOM 374 CG1 ILE A 25 -1.492 -8.258 -3.314 1.00 35.20 C ATOM 375 CG2 ILE A 25 -3.519 -6.835 -3.606 1.00 30.11 C ATOM 376 CD1 ILE A 25 -1.383 -8.948 -1.975 1.00 0.54 C ATOM 0 H ILE A 25 0.639 -6.301 -4.962 1.00 72.21 H new ATOM 0 HA ILE A 25 -1.540 -5.992 -5.142 1.00 51.43 H new ATOM 0 HB ILE A 25 -1.956 -6.492 -2.181 1.00 64.01 H new ATOM 0 HG12 ILE A 25 -2.136 -8.846 -3.968 1.00 35.20 H new ATOM 0 HG13 ILE A 25 -0.508 -8.225 -3.781 1.00 35.20 H new ATOM 0 HG21 ILE A 25 -4.068 -7.526 -2.966 1.00 30.11 H new ATOM 0 HG22 ILE A 25 -3.926 -5.831 -3.490 1.00 30.11 H new ATOM 0 HG23 ILE A 25 -3.617 -7.148 -4.645 1.00 30.11 H new ATOM 0 HD11 ILE A 25 -0.984 -9.953 -2.115 1.00 0.54 H new ATOM 0 HD12 ILE A 25 -0.717 -8.380 -1.326 1.00 0.54 H new ATOM 0 HD13 ILE A 25 -2.370 -9.010 -1.516 1.00 0.54 H new ATOM 388 N GLY A 26 -2.765 -3.978 -3.849 1.00 70.11 N ATOM 389 CA GLY A 26 -3.179 -2.667 -3.407 1.00 72.54 C ATOM 390 C GLY A 26 -4.616 -2.427 -3.781 1.00 4.14 C ATOM 391 O GLY A 26 -4.953 -1.407 -4.386 1.00 22.44 O ATOM 0 H GLY A 26 -3.503 -4.526 -4.291 1.00 70.11 H new ATOM 0 HA2 GLY A 26 -3.057 -2.583 -2.327 1.00 72.54 H new ATOM 0 HA3 GLY A 26 -2.545 -1.905 -3.860 1.00 72.54 H new ATOM 395 N ALA A 27 -5.463 -3.395 -3.454 1.00 21.22 N ATOM 396 CA ALA A 27 -6.850 -3.371 -3.877 1.00 32.14 C ATOM 397 C ALA A 27 -7.688 -4.355 -3.085 1.00 75.24 C ATOM 398 O ALA A 27 -7.203 -5.407 -2.670 1.00 64.23 O ATOM 399 CB ALA A 27 -6.953 -3.702 -5.357 1.00 61.34 C ATOM 0 H ALA A 27 -5.208 -4.209 -2.894 1.00 21.22 H new ATOM 0 HA ALA A 27 -7.232 -2.366 -3.696 1.00 32.14 H new ATOM 0 HB1 ALA A 27 -7.999 -3.681 -5.663 1.00 61.34 H new ATOM 0 HB2 ALA A 27 -6.391 -2.967 -5.934 1.00 61.34 H new ATOM 0 HB3 ALA A 27 -6.542 -4.696 -5.537 1.00 61.34 H new ATOM 405 N LEU A 28 -8.942 -4.004 -2.896 1.00 41.23 N ATOM 406 CA LEU A 28 -9.921 -4.901 -2.308 1.00 30.20 C ATOM 407 C LEU A 28 -11.145 -4.950 -3.219 1.00 53.23 C ATOM 408 O LEU A 28 -12.218 -4.453 -2.882 1.00 23.44 O ATOM 409 CB LEU A 28 -10.306 -4.462 -0.885 1.00 23.11 C ATOM 410 CG LEU A 28 -10.770 -3.006 -0.727 1.00 3.23 C ATOM 411 CD1 LEU A 28 -11.648 -2.863 0.504 1.00 25.04 C ATOM 412 CD2 LEU A 28 -9.577 -2.066 -0.623 1.00 22.25 C ATOM 0 H LEU A 28 -9.315 -3.088 -3.145 1.00 41.23 H new ATOM 0 HA LEU A 28 -9.489 -5.898 -2.220 1.00 30.20 H new ATOM 0 HB2 LEU A 28 -11.102 -5.116 -0.528 1.00 23.11 H new ATOM 0 HB3 LEU A 28 -9.447 -4.621 -0.233 1.00 23.11 H new ATOM 0 HG LEU A 28 -11.348 -2.737 -1.611 1.00 3.23 H new ATOM 0 HD11 LEU A 28 -11.969 -1.826 0.603 1.00 25.04 H new ATOM 0 HD12 LEU A 28 -12.522 -3.506 0.404 1.00 25.04 H new ATOM 0 HD13 LEU A 28 -11.083 -3.154 1.390 1.00 25.04 H new ATOM 0 HD21 LEU A 28 -9.930 -1.041 -0.512 1.00 22.25 H new ATOM 0 HD22 LEU A 28 -8.974 -2.338 0.243 1.00 22.25 H new ATOM 0 HD23 LEU A 28 -8.972 -2.145 -1.526 1.00 22.25 H new ATOM 424 N PRO A 29 -10.983 -5.555 -4.404 1.00 31.52 N ATOM 425 CA PRO A 29 -11.954 -5.475 -5.480 1.00 11.52 C ATOM 426 C PRO A 29 -13.065 -6.511 -5.342 1.00 64.33 C ATOM 427 O PRO A 29 -13.160 -7.447 -6.141 1.00 34.41 O ATOM 428 CB PRO A 29 -11.107 -5.721 -6.743 1.00 24.32 C ATOM 429 CG PRO A 29 -9.747 -6.144 -6.270 1.00 62.31 C ATOM 430 CD PRO A 29 -9.850 -6.392 -4.791 1.00 51.12 C ATOM 0 HA PRO A 29 -12.478 -4.519 -5.493 1.00 11.52 H new ATOM 0 HB2 PRO A 29 -11.557 -6.492 -7.368 1.00 24.32 H new ATOM 0 HB3 PRO A 29 -11.043 -4.817 -7.349 1.00 24.32 H new ATOM 0 HG2 PRO A 29 -9.422 -7.045 -6.790 1.00 62.31 H new ATOM 0 HG3 PRO A 29 -9.008 -5.370 -6.480 1.00 62.31 H new ATOM 0 HD2 PRO A 29 -10.029 -7.444 -4.568 1.00 51.12 H new ATOM 0 HD3 PRO A 29 -8.938 -6.106 -4.268 1.00 51.12 H new ATOM 438 N GLN A 30 -13.880 -6.326 -4.304 1.00 15.11 N ATOM 439 CA GLN A 30 -15.065 -7.146 -4.040 1.00 50.43 C ATOM 440 C GLN A 30 -14.695 -8.570 -3.623 1.00 44.02 C ATOM 441 O GLN A 30 -14.055 -9.315 -4.366 1.00 13.41 O ATOM 442 CB GLN A 30 -15.997 -7.159 -5.253 1.00 60.32 C ATOM 443 CG GLN A 30 -17.346 -7.800 -4.978 1.00 42.44 C ATOM 444 CD GLN A 30 -18.308 -7.622 -6.131 1.00 54.34 C ATOM 445 OE1 GLN A 30 -19.049 -6.642 -6.190 1.00 23.24 O ATOM 446 NE2 GLN A 30 -18.315 -8.573 -7.048 1.00 24.52 N ATOM 0 H GLN A 30 -13.734 -5.591 -3.612 1.00 15.11 H new ATOM 0 HA GLN A 30 -15.593 -6.691 -3.202 1.00 50.43 H new ATOM 0 HB2 GLN A 30 -16.153 -6.135 -5.591 1.00 60.32 H new ATOM 0 HB3 GLN A 30 -15.510 -7.693 -6.069 1.00 60.32 H new ATOM 0 HG2 GLN A 30 -17.208 -8.863 -4.783 1.00 42.44 H new ATOM 0 HG3 GLN A 30 -17.777 -7.364 -4.077 1.00 42.44 H new ATOM 0 HE21 GLN A 30 -17.684 -9.370 -6.961 1.00 24.52 H new ATOM 0 HE22 GLN A 30 -18.952 -8.511 -7.843 1.00 24.52 H new ATOM 455 N GLY A 31 -15.107 -8.941 -2.420 1.00 14.32 N ATOM 456 CA GLY A 31 -14.782 -10.251 -1.893 1.00 12.02 C ATOM 457 C GLY A 31 -13.738 -10.156 -0.808 1.00 32.15 C ATOM 458 O GLY A 31 -13.417 -11.139 -0.140 1.00 64.15 O ATOM 0 H GLY A 31 -15.663 -8.356 -1.797 1.00 14.32 H new ATOM 0 HA2 GLY A 31 -15.682 -10.720 -1.496 1.00 12.02 H new ATOM 0 HA3 GLY A 31 -14.418 -10.890 -2.697 1.00 12.02 H new ATOM 462 N GLN A 32 -13.216 -8.957 -0.639 1.00 70.20 N ATOM 463 CA GLN A 32 -12.212 -8.677 0.372 1.00 72.31 C ATOM 464 C GLN A 32 -12.390 -7.248 0.863 1.00 60.20 C ATOM 465 O GLN A 32 -12.601 -6.339 0.061 1.00 25.11 O ATOM 466 CB GLN A 32 -10.804 -8.870 -0.209 1.00 42.24 C ATOM 467 CG GLN A 32 -9.679 -8.540 0.762 1.00 24.24 C ATOM 468 CD GLN A 32 -9.400 -9.634 1.780 1.00 23.21 C ATOM 469 OE1 GLN A 32 -10.409 -10.417 2.133 1.00 62.35 O flip ATOM 470 NE2 GLN A 32 -8.270 -9.780 2.243 1.00 43.45 N flip ATOM 0 H GLN A 32 -13.476 -8.146 -1.200 1.00 70.20 H new ATOM 0 HA GLN A 32 -12.333 -9.367 1.207 1.00 72.31 H new ATOM 0 HB2 GLN A 32 -10.696 -9.905 -0.535 1.00 42.24 H new ATOM 0 HB3 GLN A 32 -10.700 -8.244 -1.095 1.00 42.24 H new ATOM 0 HG2 GLN A 32 -8.769 -8.345 0.195 1.00 24.24 H new ATOM 0 HG3 GLN A 32 -9.928 -7.620 1.291 1.00 24.24 H new ATOM 0 HE21 GLN A 32 -7.515 -9.160 1.950 1.00 43.45 H new ATOM 0 HE22 GLN A 32 -8.088 -10.521 2.920 1.00 43.45 H new ATOM 479 N LYS A 33 -12.345 -7.049 2.171 1.00 21.00 N ATOM 480 CA LYS A 33 -12.477 -5.713 2.726 1.00 41.11 C ATOM 481 C LYS A 33 -11.336 -5.402 3.684 1.00 51.41 C ATOM 482 O LYS A 33 -11.393 -5.734 4.867 1.00 43.34 O ATOM 483 CB LYS A 33 -13.820 -5.537 3.443 1.00 54.52 C ATOM 484 CG LYS A 33 -15.030 -5.834 2.569 1.00 5.44 C ATOM 485 CD LYS A 33 -16.346 -5.450 3.240 1.00 3.32 C ATOM 486 CE LYS A 33 -16.544 -6.156 4.577 1.00 4.01 C ATOM 487 NZ LYS A 33 -15.876 -5.441 5.701 1.00 71.41 N ATOM 0 H LYS A 33 -12.219 -7.789 2.862 1.00 21.00 H new ATOM 0 HA LYS A 33 -12.435 -5.013 1.892 1.00 41.11 H new ATOM 0 HB2 LYS A 33 -13.844 -6.192 4.314 1.00 54.52 H new ATOM 0 HB3 LYS A 33 -13.893 -4.514 3.811 1.00 54.52 H new ATOM 0 HG2 LYS A 33 -14.935 -5.293 1.627 1.00 5.44 H new ATOM 0 HG3 LYS A 33 -15.046 -6.897 2.326 1.00 5.44 H new ATOM 0 HD2 LYS A 33 -16.371 -4.371 3.395 1.00 3.32 H new ATOM 0 HD3 LYS A 33 -17.175 -5.696 2.576 1.00 3.32 H new ATOM 0 HE2 LYS A 33 -17.610 -6.240 4.786 1.00 4.01 H new ATOM 0 HE3 LYS A 33 -16.151 -7.171 4.511 1.00 4.01 H new ATOM 0 HZ1 LYS A 33 -15.138 -6.049 6.109 1.00 71.41 H new ATOM 0 HZ2 LYS A 33 -15.445 -4.563 5.347 1.00 71.41 H new ATOM 0 HZ3 LYS A 33 -16.579 -5.211 6.432 1.00 71.41 H new ATOM 501 N VAL A 34 -10.288 -4.794 3.153 1.00 14.13 N ATOM 502 CA VAL A 34 -9.197 -4.300 3.975 1.00 75.01 C ATOM 503 C VAL A 34 -9.354 -2.795 4.165 1.00 10.53 C ATOM 504 O VAL A 34 -10.274 -2.193 3.607 1.00 60.34 O ATOM 505 CB VAL A 34 -7.815 -4.619 3.357 1.00 61.23 C ATOM 506 CG1 VAL A 34 -7.587 -6.124 3.298 1.00 31.21 C ATOM 507 CG2 VAL A 34 -7.687 -3.998 1.972 1.00 14.23 C ATOM 0 H VAL A 34 -10.170 -4.631 2.153 1.00 14.13 H new ATOM 0 HA VAL A 34 -9.242 -4.806 4.940 1.00 75.01 H new ATOM 0 HB VAL A 34 -7.047 -4.183 3.996 1.00 61.23 H new ATOM 0 HG11 VAL A 34 -6.610 -6.327 2.860 1.00 31.21 H new ATOM 0 HG12 VAL A 34 -7.626 -6.538 4.306 1.00 31.21 H new ATOM 0 HG13 VAL A 34 -8.362 -6.586 2.686 1.00 31.21 H new ATOM 0 HG21 VAL A 34 -6.708 -4.235 1.556 1.00 14.23 H new ATOM 0 HG22 VAL A 34 -8.464 -4.398 1.321 1.00 14.23 H new ATOM 0 HG23 VAL A 34 -7.797 -2.916 2.047 1.00 14.23 H new ATOM 517 N GLN A 35 -8.480 -2.186 4.946 1.00 61.12 N ATOM 518 CA GLN A 35 -8.591 -0.761 5.214 1.00 12.04 C ATOM 519 C GLN A 35 -7.221 -0.099 5.161 1.00 24.31 C ATOM 520 O GLN A 35 -6.215 -0.712 5.522 1.00 61.40 O ATOM 521 CB GLN A 35 -9.233 -0.539 6.585 1.00 74.03 C ATOM 522 CG GLN A 35 -10.103 0.706 6.662 1.00 50.24 C ATOM 523 CD GLN A 35 -11.351 0.596 5.801 1.00 72.03 C ATOM 524 OE1 GLN A 35 -12.380 0.090 6.251 1.00 41.15 O ATOM 525 NE2 GLN A 35 -11.287 1.099 4.577 1.00 71.53 N ATOM 0 H GLN A 35 -7.693 -2.648 5.402 1.00 61.12 H new ATOM 0 HA GLN A 35 -9.221 -0.308 4.448 1.00 12.04 H new ATOM 0 HB2 GLN A 35 -9.838 -1.410 6.838 1.00 74.03 H new ATOM 0 HB3 GLN A 35 -8.447 -0.468 7.337 1.00 74.03 H new ATOM 0 HG2 GLN A 35 -10.394 0.879 7.698 1.00 50.24 H new ATOM 0 HG3 GLN A 35 -9.522 1.572 6.345 1.00 50.24 H new ATOM 0 HE21 GLN A 35 -10.417 1.510 4.239 1.00 71.53 H new ATOM 0 HE22 GLN A 35 -12.108 1.075 3.972 1.00 71.53 H new ATOM 534 N VAL A 36 -7.186 1.142 4.704 1.00 23.31 N ATOM 535 CA VAL A 36 -5.947 1.900 4.647 1.00 42.12 C ATOM 536 C VAL A 36 -5.591 2.428 6.031 1.00 74.23 C ATOM 537 O VAL A 36 -6.300 3.270 6.585 1.00 14.04 O ATOM 538 CB VAL A 36 -6.052 3.075 3.652 1.00 73.32 C ATOM 539 CG1 VAL A 36 -4.786 3.915 3.667 1.00 40.52 C ATOM 540 CG2 VAL A 36 -6.336 2.562 2.248 1.00 4.44 C ATOM 0 H VAL A 36 -8.005 1.647 4.366 1.00 23.31 H new ATOM 0 HA VAL A 36 -5.161 1.229 4.300 1.00 42.12 H new ATOM 0 HB VAL A 36 -6.882 3.709 3.964 1.00 73.32 H new ATOM 0 HG11 VAL A 36 -4.886 4.736 2.957 1.00 40.52 H new ATOM 0 HG12 VAL A 36 -4.628 4.317 4.668 1.00 40.52 H new ATOM 0 HG13 VAL A 36 -3.935 3.295 3.387 1.00 40.52 H new ATOM 0 HG21 VAL A 36 -6.407 3.405 1.560 1.00 4.44 H new ATOM 0 HG22 VAL A 36 -5.528 1.902 1.931 1.00 4.44 H new ATOM 0 HG23 VAL A 36 -7.277 2.011 2.245 1.00 4.44 H new ATOM 550 N ILE A 37 -4.501 1.914 6.589 1.00 51.30 N ATOM 551 CA ILE A 37 -4.077 2.294 7.930 1.00 1.30 C ATOM 552 C ILE A 37 -3.540 3.715 7.935 1.00 63.14 C ATOM 553 O ILE A 37 -4.040 4.578 8.654 1.00 12.21 O ATOM 554 CB ILE A 37 -2.978 1.345 8.475 1.00 64.51 C ATOM 555 CG1 ILE A 37 -3.402 -0.115 8.322 1.00 32.25 C ATOM 556 CG2 ILE A 37 -2.678 1.654 9.934 1.00 13.23 C ATOM 557 CD1 ILE A 37 -2.881 -0.777 7.062 1.00 52.12 C ATOM 0 H ILE A 37 -3.895 1.232 6.133 1.00 51.30 H new ATOM 0 HA ILE A 37 -4.954 2.223 8.573 1.00 1.30 H new ATOM 0 HB ILE A 37 -2.071 1.506 7.892 1.00 64.51 H new ATOM 0 HG12 ILE A 37 -3.052 -0.677 9.188 1.00 32.25 H new ATOM 0 HG13 ILE A 37 -4.491 -0.169 8.326 1.00 32.25 H new ATOM 0 HG21 ILE A 37 -1.905 0.977 10.298 1.00 13.23 H new ATOM 0 HG22 ILE A 37 -2.331 2.683 10.024 1.00 13.23 H new ATOM 0 HG23 ILE A 37 -3.583 1.523 10.527 1.00 13.23 H new ATOM 0 HD11 ILE A 37 -3.224 -1.811 7.026 1.00 52.12 H new ATOM 0 HD12 ILE A 37 -3.252 -0.240 6.189 1.00 52.12 H new ATOM 0 HD13 ILE A 37 -1.791 -0.756 7.064 1.00 52.12 H new ATOM 569 N SER A 38 -2.540 3.950 7.104 1.00 61.31 N ATOM 570 CA SER A 38 -1.898 5.251 7.031 1.00 54.34 C ATOM 571 C SER A 38 -0.951 5.317 5.843 1.00 43.14 C ATOM 572 O SER A 38 -0.607 4.296 5.236 1.00 4.35 O ATOM 573 CB SER A 38 -1.139 5.541 8.335 1.00 23.03 C ATOM 574 OG SER A 38 -0.637 6.869 8.371 1.00 52.03 O ATOM 0 H SER A 38 -2.153 3.253 6.467 1.00 61.31 H new ATOM 0 HA SER A 38 -2.669 6.009 6.896 1.00 54.34 H new ATOM 0 HB2 SER A 38 -1.803 5.380 9.185 1.00 23.03 H new ATOM 0 HB3 SER A 38 -0.313 4.838 8.438 1.00 23.03 H new ATOM 0 HG SER A 38 -1.352 7.482 8.644 1.00 52.03 H new ATOM 580 N GLU A 39 -0.547 6.529 5.516 1.00 5.04 N ATOM 581 CA GLU A 39 0.375 6.773 4.426 1.00 40.22 C ATOM 582 C GLU A 39 1.654 7.413 4.955 1.00 3.23 C ATOM 583 O GLU A 39 1.715 7.802 6.125 1.00 60.33 O ATOM 584 CB GLU A 39 -0.292 7.655 3.363 1.00 21.44 C ATOM 585 CG GLU A 39 -1.075 8.847 3.913 1.00 30.24 C ATOM 586 CD GLU A 39 -0.197 9.926 4.517 1.00 55.33 C ATOM 587 OE1 GLU A 39 0.529 10.602 3.760 1.00 63.14 O ATOM 588 OE2 GLU A 39 -0.241 10.116 5.751 1.00 2.40 O ATOM 0 H GLU A 39 -0.850 7.374 6.000 1.00 5.04 H new ATOM 0 HA GLU A 39 0.642 5.825 3.960 1.00 40.22 H new ATOM 0 HB2 GLU A 39 0.477 8.026 2.685 1.00 21.44 H new ATOM 0 HB3 GLU A 39 -0.968 7.037 2.771 1.00 21.44 H new ATOM 0 HG2 GLU A 39 -1.669 9.282 3.110 1.00 30.24 H new ATOM 0 HG3 GLU A 39 -1.774 8.493 4.671 1.00 30.24 H new ATOM 595 N ASN A 40 2.673 7.494 4.111 1.00 22.41 N ATOM 596 CA ASN A 40 3.918 8.157 4.478 1.00 41.24 C ATOM 597 C ASN A 40 4.851 8.248 3.286 1.00 70.50 C ATOM 598 O ASN A 40 5.176 7.234 2.665 1.00 3.04 O ATOM 599 CB ASN A 40 4.621 7.417 5.619 1.00 44.21 C ATOM 600 CG ASN A 40 5.906 8.103 6.046 1.00 71.24 C ATOM 601 OD1 ASN A 40 6.995 7.762 5.583 1.00 24.44 O ATOM 602 ND2 ASN A 40 5.789 9.092 6.920 1.00 31.55 N ATOM 0 H ASN A 40 2.663 7.109 3.167 1.00 22.41 H new ATOM 0 HA ASN A 40 3.666 9.163 4.813 1.00 41.24 H new ATOM 0 HB2 ASN A 40 3.948 7.348 6.473 1.00 44.21 H new ATOM 0 HB3 ASN A 40 4.843 6.397 5.305 1.00 44.21 H new ATOM 0 HD21 ASN A 40 6.618 9.599 7.231 1.00 31.55 H new ATOM 0 HD22 ASN A 40 4.870 9.347 7.282 1.00 31.55 H new ATOM 609 N SER A 41 5.254 9.473 2.964 1.00 12.31 N ATOM 610 CA SER A 41 6.257 9.721 1.942 1.00 33.22 C ATOM 611 C SER A 41 5.700 9.421 0.546 1.00 23.22 C ATOM 612 O SER A 41 6.431 9.010 -0.359 1.00 11.11 O ATOM 613 CB SER A 41 7.509 8.885 2.243 1.00 1.54 C ATOM 614 OG SER A 41 8.616 9.302 1.466 1.00 54.22 O ATOM 0 H SER A 41 4.893 10.319 3.405 1.00 12.31 H new ATOM 0 HA SER A 41 6.533 10.775 1.955 1.00 33.22 H new ATOM 0 HB2 SER A 41 7.756 8.967 3.302 1.00 1.54 H new ATOM 0 HB3 SER A 41 7.301 7.834 2.045 1.00 1.54 H new ATOM 0 HG SER A 41 8.360 9.331 0.521 1.00 54.22 H new ATOM 620 N GLY A 42 4.403 9.654 0.374 1.00 45.03 N ATOM 621 CA GLY A 42 3.784 9.473 -0.922 1.00 21.12 C ATOM 622 C GLY A 42 3.058 8.153 -1.040 1.00 4.52 C ATOM 623 O GLY A 42 2.002 8.065 -1.672 1.00 11.44 O ATOM 0 H GLY A 42 3.771 9.965 1.111 1.00 45.03 H new ATOM 0 HA2 GLY A 42 3.082 10.287 -1.102 1.00 21.12 H new ATOM 0 HA3 GLY A 42 4.548 9.534 -1.697 1.00 21.12 H new ATOM 627 N TRP A 43 3.616 7.123 -0.428 1.00 4.03 N ATOM 628 CA TRP A 43 3.040 5.793 -0.508 1.00 31.42 C ATOM 629 C TRP A 43 2.249 5.472 0.748 1.00 24.40 C ATOM 630 O TRP A 43 2.492 6.042 1.811 1.00 44.23 O ATOM 631 CB TRP A 43 4.127 4.740 -0.723 1.00 4.23 C ATOM 632 CG TRP A 43 4.790 4.821 -2.065 1.00 44.11 C ATOM 633 CD1 TRP A 43 4.435 5.616 -3.115 1.00 4.22 C ATOM 634 CD2 TRP A 43 5.920 4.062 -2.500 1.00 33.42 C ATOM 635 NE1 TRP A 43 5.281 5.402 -4.176 1.00 0.21 N ATOM 636 CE2 TRP A 43 6.203 4.451 -3.822 1.00 60.21 C ATOM 637 CE3 TRP A 43 6.720 3.092 -1.894 1.00 73.41 C ATOM 638 CZ2 TRP A 43 7.257 3.903 -4.547 1.00 60.33 C ATOM 639 CZ3 TRP A 43 7.765 2.547 -2.615 1.00 21.43 C ATOM 640 CH2 TRP A 43 8.026 2.954 -3.929 1.00 30.44 C ATOM 0 H TRP A 43 4.468 7.183 0.130 1.00 4.03 H new ATOM 0 HA TRP A 43 2.364 5.775 -1.362 1.00 31.42 H new ATOM 0 HB2 TRP A 43 4.884 4.849 0.053 1.00 4.23 H new ATOM 0 HB3 TRP A 43 3.689 3.749 -0.604 1.00 4.23 H new ATOM 0 HD1 TRP A 43 3.609 6.312 -3.113 1.00 4.22 H new ATOM 0 HE1 TRP A 43 5.231 5.873 -5.079 1.00 0.21 H new ATOM 0 HE3 TRP A 43 6.526 2.773 -0.880 1.00 73.41 H new ATOM 0 HZ2 TRP A 43 7.461 4.215 -5.561 1.00 60.33 H new ATOM 0 HZ3 TRP A 43 8.391 1.795 -2.158 1.00 21.43 H new ATOM 0 HH2 TRP A 43 8.851 2.510 -4.466 1.00 30.44 H new ATOM 651 N SER A 44 1.303 4.565 0.617 1.00 63.43 N ATOM 652 CA SER A 44 0.471 4.168 1.737 1.00 1.14 C ATOM 653 C SER A 44 0.814 2.747 2.159 1.00 44.23 C ATOM 654 O SER A 44 1.072 1.885 1.315 1.00 71.04 O ATOM 655 CB SER A 44 -1.013 4.276 1.369 1.00 72.02 C ATOM 656 OG SER A 44 -1.842 4.021 2.489 1.00 44.10 O ATOM 0 H SER A 44 1.090 4.086 -0.258 1.00 63.43 H new ATOM 0 HA SER A 44 0.664 4.840 2.574 1.00 1.14 H new ATOM 0 HB2 SER A 44 -1.221 5.272 0.979 1.00 72.02 H new ATOM 0 HB3 SER A 44 -1.245 3.568 0.574 1.00 72.02 H new ATOM 0 HG SER A 44 -1.325 4.142 3.313 1.00 44.10 H new ATOM 662 N LYS A 45 0.841 2.517 3.463 1.00 31.20 N ATOM 663 CA LYS A 45 1.180 1.225 4.003 1.00 33.15 C ATOM 664 C LYS A 45 -0.057 0.354 4.164 1.00 21.23 C ATOM 665 O LYS A 45 -1.052 0.766 4.761 1.00 73.24 O ATOM 666 CB LYS A 45 1.853 1.427 5.346 1.00 72.31 C ATOM 667 CG LYS A 45 2.817 0.330 5.715 1.00 13.44 C ATOM 668 CD LYS A 45 3.845 0.859 6.685 1.00 54.01 C ATOM 669 CE LYS A 45 4.521 2.106 6.131 1.00 53.32 C ATOM 670 NZ LYS A 45 5.479 2.705 7.094 1.00 41.41 N ATOM 0 H LYS A 45 0.628 3.223 4.168 1.00 31.20 H new ATOM 0 HA LYS A 45 1.854 0.715 3.315 1.00 33.15 H new ATOM 0 HB2 LYS A 45 2.386 2.378 5.335 1.00 72.31 H new ATOM 0 HB3 LYS A 45 1.087 1.500 6.118 1.00 72.31 H new ATOM 0 HG2 LYS A 45 2.278 -0.506 6.162 1.00 13.44 H new ATOM 0 HG3 LYS A 45 3.310 -0.050 4.820 1.00 13.44 H new ATOM 0 HD2 LYS A 45 3.367 1.091 7.637 1.00 54.01 H new ATOM 0 HD3 LYS A 45 4.593 0.092 6.883 1.00 54.01 H new ATOM 0 HE2 LYS A 45 5.046 1.853 5.210 1.00 53.32 H new ATOM 0 HE3 LYS A 45 3.761 2.843 5.872 1.00 53.32 H new ATOM 0 HZ1 LYS A 45 5.913 3.550 6.671 1.00 41.41 H new ATOM 0 HZ2 LYS A 45 4.975 2.972 7.964 1.00 41.41 H new ATOM 0 HZ3 LYS A 45 6.221 2.012 7.322 1.00 41.41 H new ATOM 684 N ILE A 46 0.025 -0.854 3.642 1.00 15.21 N ATOM 685 CA ILE A 46 -1.073 -1.809 3.727 1.00 71.05 C ATOM 686 C ILE A 46 -0.558 -3.181 4.122 1.00 2.32 C ATOM 687 O ILE A 46 0.534 -3.581 3.722 1.00 32.34 O ATOM 688 CB ILE A 46 -1.851 -1.933 2.394 1.00 3.40 C ATOM 689 CG1 ILE A 46 -0.882 -2.079 1.216 1.00 62.43 C ATOM 690 CG2 ILE A 46 -2.771 -0.737 2.194 1.00 11.21 C ATOM 691 CD1 ILE A 46 -1.565 -2.281 -0.119 1.00 15.21 C ATOM 0 H ILE A 46 0.847 -1.204 3.149 1.00 15.21 H new ATOM 0 HA ILE A 46 -1.755 -1.429 4.488 1.00 71.05 H new ATOM 0 HB ILE A 46 -2.468 -2.830 2.440 1.00 3.40 H new ATOM 0 HG12 ILE A 46 -0.255 -1.189 1.161 1.00 62.43 H new ATOM 0 HG13 ILE A 46 -0.220 -2.924 1.406 1.00 62.43 H new ATOM 0 HG21 ILE A 46 -3.308 -0.845 1.252 1.00 11.21 H new ATOM 0 HG22 ILE A 46 -3.486 -0.687 3.015 1.00 11.21 H new ATOM 0 HG23 ILE A 46 -2.179 0.178 2.172 1.00 11.21 H new ATOM 0 HD11 ILE A 46 -0.813 -2.376 -0.902 1.00 15.21 H new ATOM 0 HD12 ILE A 46 -2.170 -3.187 -0.085 1.00 15.21 H new ATOM 0 HD13 ILE A 46 -2.206 -1.425 -0.333 1.00 15.21 H new ATOM 703 N ASN A 47 -1.334 -3.888 4.926 1.00 75.21 N ATOM 704 CA ASN A 47 -1.014 -5.265 5.265 1.00 31.12 C ATOM 705 C ASN A 47 -2.020 -6.177 4.588 1.00 22.33 C ATOM 706 O ASN A 47 -3.212 -6.136 4.899 1.00 3.03 O ATOM 707 CB ASN A 47 -1.047 -5.490 6.779 1.00 55.14 C ATOM 708 CG ASN A 47 -0.464 -6.836 7.173 1.00 4.41 C ATOM 709 OD1 ASN A 47 -1.149 -7.858 7.149 1.00 34.33 O ATOM 710 ND2 ASN A 47 0.804 -6.841 7.560 1.00 12.10 N ATOM 0 H ASN A 47 -2.188 -3.533 5.355 1.00 75.21 H new ATOM 0 HA ASN A 47 -0.004 -5.487 4.920 1.00 31.12 H new ATOM 0 HB2 ASN A 47 -0.489 -4.695 7.275 1.00 55.14 H new ATOM 0 HB3 ASN A 47 -2.076 -5.425 7.132 1.00 55.14 H new ATOM 0 HD21 ASN A 47 1.245 -7.713 7.852 1.00 12.10 H new ATOM 0 HD22 ASN A 47 1.339 -5.972 7.566 1.00 12.10 H new ATOM 717 N TYR A 48 -1.545 -6.984 3.660 1.00 72.32 N ATOM 718 CA TYR A 48 -2.420 -7.822 2.865 1.00 0.11 C ATOM 719 C TYR A 48 -2.028 -9.286 3.007 1.00 62.22 C ATOM 720 O TYR A 48 -0.965 -9.696 2.551 1.00 15.52 O ATOM 721 CB TYR A 48 -2.352 -7.398 1.397 1.00 44.12 C ATOM 722 CG TYR A 48 -3.667 -7.525 0.663 1.00 73.44 C ATOM 723 CD1 TYR A 48 -4.098 -8.745 0.154 1.00 31.41 C ATOM 724 CD2 TYR A 48 -4.479 -6.414 0.476 1.00 45.42 C ATOM 725 CE1 TYR A 48 -5.299 -8.851 -0.521 1.00 4.31 C ATOM 726 CE2 TYR A 48 -5.681 -6.511 -0.197 1.00 72.14 C ATOM 727 CZ TYR A 48 -6.087 -7.731 -0.694 1.00 33.04 C ATOM 728 OH TYR A 48 -7.281 -7.829 -1.373 1.00 1.11 O ATOM 0 H TYR A 48 -0.554 -7.077 3.438 1.00 72.32 H new ATOM 0 HA TYR A 48 -3.442 -7.702 3.224 1.00 0.11 H new ATOM 0 HB2 TYR A 48 -2.015 -6.363 1.343 1.00 44.12 H new ATOM 0 HB3 TYR A 48 -1.603 -8.004 0.888 1.00 44.12 H new ATOM 0 HD1 TYR A 48 -3.484 -9.624 0.288 1.00 31.41 H new ATOM 0 HD2 TYR A 48 -4.165 -5.456 0.864 1.00 45.42 H new ATOM 0 HE1 TYR A 48 -5.620 -9.806 -0.911 1.00 4.31 H new ATOM 0 HE2 TYR A 48 -6.299 -5.636 -0.333 1.00 72.14 H new ATOM 0 HH TYR A 48 -7.413 -7.026 -1.920 1.00 1.11 H new ATOM 738 N ASN A 49 -2.878 -10.053 3.677 1.00 31.43 N ATOM 739 CA ASN A 49 -2.689 -11.498 3.825 1.00 12.45 C ATOM 740 C ASN A 49 -1.362 -11.801 4.532 1.00 52.31 C ATOM 741 O ASN A 49 -0.695 -12.799 4.252 1.00 44.24 O ATOM 742 CB ASN A 49 -2.750 -12.181 2.447 1.00 0.52 C ATOM 743 CG ASN A 49 -2.980 -13.681 2.530 1.00 73.33 C ATOM 744 OD1 ASN A 49 -4.119 -14.139 2.630 1.00 63.24 O ATOM 745 ND2 ASN A 49 -1.913 -14.457 2.460 1.00 41.41 N ATOM 0 H ASN A 49 -3.717 -9.696 4.134 1.00 31.43 H new ATOM 0 HA ASN A 49 -3.493 -11.897 4.443 1.00 12.45 H new ATOM 0 HB2 ASN A 49 -3.550 -11.730 1.860 1.00 0.52 H new ATOM 0 HB3 ASN A 49 -1.818 -11.992 1.914 1.00 0.52 H new ATOM 0 HD21 ASN A 49 -2.017 -15.471 2.488 1.00 41.41 H new ATOM 0 HD22 ASN A 49 -0.985 -14.042 2.378 1.00 41.41 H new ATOM 752 N GLY A 50 -0.985 -10.931 5.459 1.00 12.32 N ATOM 753 CA GLY A 50 0.187 -11.178 6.276 1.00 72.21 C ATOM 754 C GLY A 50 1.460 -10.562 5.719 1.00 51.21 C ATOM 755 O GLY A 50 2.515 -10.644 6.351 1.00 63.02 O ATOM 0 H GLY A 50 -1.471 -10.057 5.660 1.00 12.32 H new ATOM 0 HA2 GLY A 50 0.011 -10.784 7.277 1.00 72.21 H new ATOM 0 HA3 GLY A 50 0.328 -12.254 6.377 1.00 72.21 H new ATOM 759 N GLN A 51 1.381 -9.955 4.545 1.00 64.24 N ATOM 760 CA GLN A 51 2.542 -9.300 3.952 1.00 61.42 C ATOM 761 C GLN A 51 2.271 -7.812 3.767 1.00 33.13 C ATOM 762 O GLN A 51 1.117 -7.389 3.688 1.00 5.40 O ATOM 763 CB GLN A 51 2.926 -9.962 2.625 1.00 33.00 C ATOM 764 CG GLN A 51 1.866 -9.852 1.540 1.00 11.13 C ATOM 765 CD GLN A 51 2.137 -10.778 0.370 1.00 64.10 C ATOM 766 OE1 GLN A 51 2.750 -11.919 0.647 1.00 51.23 O flip ATOM 767 NE2 GLN A 51 1.789 -10.478 -0.771 1.00 31.23 N flip ATOM 0 H GLN A 51 0.531 -9.901 3.984 1.00 64.24 H new ATOM 0 HA GLN A 51 3.387 -9.412 4.631 1.00 61.42 H new ATOM 0 HB2 GLN A 51 3.849 -9.511 2.261 1.00 33.00 H new ATOM 0 HB3 GLN A 51 3.136 -11.016 2.806 1.00 33.00 H new ATOM 0 HG2 GLN A 51 0.890 -10.084 1.965 1.00 11.13 H new ATOM 0 HG3 GLN A 51 1.821 -8.823 1.183 1.00 11.13 H new ATOM 0 HE21 GLN A 51 1.319 -9.589 -0.944 1.00 31.23 H new ATOM 0 HE22 GLN A 51 1.970 -11.118 -1.544 1.00 31.23 H new ATOM 776 N THR A 52 3.331 -7.025 3.714 1.00 12.34 N ATOM 777 CA THR A 52 3.202 -5.580 3.656 1.00 60.32 C ATOM 778 C THR A 52 3.338 -5.068 2.224 1.00 3.21 C ATOM 779 O THR A 52 4.299 -5.393 1.526 1.00 21.22 O ATOM 780 CB THR A 52 4.265 -4.913 4.545 1.00 72.12 C ATOM 781 OG1 THR A 52 4.324 -5.595 5.803 1.00 45.42 O ATOM 782 CG2 THR A 52 3.941 -3.443 4.775 1.00 54.44 C ATOM 0 H THR A 52 4.293 -7.364 3.710 1.00 12.34 H new ATOM 0 HA THR A 52 2.208 -5.321 4.022 1.00 60.32 H new ATOM 0 HB THR A 52 5.229 -4.975 4.041 1.00 72.12 H new ATOM 0 HG1 THR A 52 5.002 -5.174 6.372 1.00 45.42 H new ATOM 0 HG21 THR A 52 4.709 -2.996 5.407 1.00 54.44 H new ATOM 0 HG22 THR A 52 3.911 -2.923 3.818 1.00 54.44 H new ATOM 0 HG23 THR A 52 2.972 -3.357 5.266 1.00 54.44 H new ATOM 790 N GLY A 53 2.372 -4.273 1.796 1.00 4.02 N ATOM 791 CA GLY A 53 2.412 -3.696 0.471 1.00 20.35 C ATOM 792 C GLY A 53 2.511 -2.186 0.518 1.00 12.11 C ATOM 793 O GLY A 53 2.248 -1.576 1.559 1.00 14.42 O ATOM 0 H GLY A 53 1.554 -4.015 2.348 1.00 4.02 H new ATOM 0 HA2 GLY A 53 3.265 -4.099 -0.075 1.00 20.35 H new ATOM 0 HA3 GLY A 53 1.516 -3.985 -0.078 1.00 20.35 H new ATOM 797 N TYR A 54 2.911 -1.585 -0.596 1.00 31.01 N ATOM 798 CA TYR A 54 2.971 -0.135 -0.712 1.00 61.30 C ATOM 799 C TYR A 54 2.447 0.296 -2.072 1.00 33.42 C ATOM 800 O TYR A 54 2.750 -0.333 -3.088 1.00 42.23 O ATOM 801 CB TYR A 54 4.407 0.374 -0.544 1.00 4.15 C ATOM 802 CG TYR A 54 5.039 0.020 0.784 1.00 13.51 C ATOM 803 CD1 TYR A 54 4.846 0.818 1.902 1.00 51.22 C ATOM 804 CD2 TYR A 54 5.833 -1.113 0.916 1.00 53.41 C ATOM 805 CE1 TYR A 54 5.423 0.496 3.114 1.00 72.42 C ATOM 806 CE2 TYR A 54 6.412 -1.442 2.125 1.00 0.42 C ATOM 807 CZ TYR A 54 6.204 -0.634 3.221 1.00 10.45 C ATOM 808 OH TYR A 54 6.784 -0.955 4.426 1.00 52.12 O ATOM 0 H TYR A 54 3.200 -2.085 -1.437 1.00 31.01 H new ATOM 0 HA TYR A 54 2.354 0.291 0.079 1.00 61.30 H new ATOM 0 HB2 TYR A 54 5.021 -0.034 -1.346 1.00 4.15 H new ATOM 0 HB3 TYR A 54 4.412 1.458 -0.659 1.00 4.15 H new ATOM 0 HD1 TYR A 54 4.235 1.705 1.823 1.00 51.22 H new ATOM 0 HD2 TYR A 54 6.000 -1.747 0.058 1.00 53.41 H new ATOM 0 HE1 TYR A 54 5.263 1.128 3.975 1.00 72.42 H new ATOM 0 HE2 TYR A 54 7.024 -2.327 2.211 1.00 0.42 H new ATOM 0 HH TYR A 54 7.301 -1.782 4.330 1.00 52.12 H new ATOM 818 N ILE A 55 1.680 1.370 -2.092 1.00 2.13 N ATOM 819 CA ILE A 55 1.126 1.890 -3.333 1.00 21.32 C ATOM 820 C ILE A 55 1.221 3.407 -3.376 1.00 13.25 C ATOM 821 O ILE A 55 1.298 4.058 -2.332 1.00 5.45 O ATOM 822 CB ILE A 55 -0.347 1.445 -3.546 1.00 73.00 C ATOM 823 CG1 ILE A 55 -1.178 1.590 -2.262 1.00 52.31 C ATOM 824 CG2 ILE A 55 -0.406 0.010 -4.053 1.00 74.14 C ATOM 825 CD1 ILE A 55 -1.640 3.001 -1.973 1.00 4.35 C ATOM 0 H ILE A 55 1.424 1.903 -1.261 1.00 2.13 H new ATOM 0 HA ILE A 55 1.722 1.472 -4.144 1.00 21.32 H new ATOM 0 HB ILE A 55 -0.780 2.105 -4.298 1.00 73.00 H new ATOM 0 HG12 ILE A 55 -2.052 0.942 -2.334 1.00 52.31 H new ATOM 0 HG13 ILE A 55 -0.586 1.234 -1.419 1.00 52.31 H new ATOM 0 HG21 ILE A 55 -1.446 -0.283 -4.196 1.00 74.14 H new ATOM 0 HG22 ILE A 55 0.125 -0.063 -5.002 1.00 74.14 H new ATOM 0 HG23 ILE A 55 0.061 -0.653 -3.324 1.00 74.14 H new ATOM 0 HD11 ILE A 55 -2.219 3.012 -1.050 1.00 4.35 H new ATOM 0 HD12 ILE A 55 -0.773 3.653 -1.866 1.00 4.35 H new ATOM 0 HD13 ILE A 55 -2.261 3.356 -2.795 1.00 4.35 H new ATOM 837 N GLY A 56 1.246 3.958 -4.581 1.00 1.31 N ATOM 838 CA GLY A 56 1.245 5.396 -4.742 1.00 60.53 C ATOM 839 C GLY A 56 -0.108 5.986 -4.414 1.00 54.02 C ATOM 840 O GLY A 56 -1.073 5.784 -5.149 1.00 34.03 O ATOM 0 H GLY A 56 1.267 3.431 -5.454 1.00 1.31 H new ATOM 0 HA2 GLY A 56 2.003 5.837 -4.094 1.00 60.53 H new ATOM 0 HA3 GLY A 56 1.515 5.649 -5.767 1.00 60.53 H new ATOM 844 N THR A 57 -0.178 6.713 -3.310 1.00 43.32 N ATOM 845 CA THR A 57 -1.441 7.257 -2.828 1.00 70.45 C ATOM 846 C THR A 57 -1.827 8.530 -3.583 1.00 42.45 C ATOM 847 O THR A 57 -2.904 9.091 -3.359 1.00 14.25 O ATOM 848 CB THR A 57 -1.358 7.567 -1.322 1.00 52.13 C ATOM 849 OG1 THR A 57 -0.335 6.764 -0.719 1.00 42.24 O ATOM 850 CG2 THR A 57 -2.687 7.288 -0.632 1.00 54.44 C ATOM 0 H THR A 57 0.628 6.942 -2.728 1.00 43.32 H new ATOM 0 HA THR A 57 -2.206 6.501 -3.004 1.00 70.45 H new ATOM 0 HB THR A 57 -1.120 8.624 -1.205 1.00 52.13 H new ATOM 0 HG1 THR A 57 0.535 7.199 -0.839 1.00 42.24 H new ATOM 0 HG21 THR A 57 -2.600 7.515 0.430 1.00 54.44 H new ATOM 0 HG22 THR A 57 -3.464 7.911 -1.074 1.00 54.44 H new ATOM 0 HG23 THR A 57 -2.949 6.237 -0.758 1.00 54.44 H new ATOM 858 N ARG A 58 -0.945 8.990 -4.469 1.00 42.44 N ATOM 859 CA ARG A 58 -1.199 10.196 -5.239 1.00 24.35 C ATOM 860 C ARG A 58 -2.435 10.008 -6.108 1.00 51.51 C ATOM 861 O ARG A 58 -3.378 10.795 -6.052 1.00 33.31 O ATOM 862 CB ARG A 58 0.005 10.512 -6.124 1.00 42.45 C ATOM 863 CG ARG A 58 1.332 10.552 -5.388 1.00 14.14 C ATOM 864 CD ARG A 58 2.474 10.785 -6.360 1.00 62.03 C ATOM 865 NE ARG A 58 3.786 10.645 -5.732 1.00 25.13 N ATOM 866 CZ ARG A 58 4.864 10.187 -6.367 1.00 42.41 C ATOM 867 NH1 ARG A 58 4.806 9.906 -7.667 1.00 64.14 N ATOM 868 NH2 ARG A 58 6.013 10.057 -5.713 1.00 30.15 N ATOM 0 H ARG A 58 -0.050 8.543 -4.668 1.00 42.44 H new ATOM 0 HA ARG A 58 -1.367 11.024 -4.551 1.00 24.35 H new ATOM 0 HB2 ARG A 58 0.065 9.765 -6.915 1.00 42.45 H new ATOM 0 HB3 ARG A 58 -0.158 11.475 -6.607 1.00 42.45 H new ATOM 0 HG2 ARG A 58 1.316 11.345 -4.640 1.00 14.14 H new ATOM 0 HG3 ARG A 58 1.487 9.614 -4.854 1.00 14.14 H new ATOM 0 HD2 ARG A 58 2.393 10.078 -7.185 1.00 62.03 H new ATOM 0 HD3 ARG A 58 2.385 11.784 -6.787 1.00 62.03 H new ATOM 0 HE ARG A 58 3.882 10.913 -4.753 1.00 25.13 H new ATOM 0 HH11 ARG A 58 3.935 10.041 -8.180 1.00 64.14 H new ATOM 0 HH12 ARG A 58 5.633 9.556 -8.150 1.00 64.14 H new ATOM 0 HH21 ARG A 58 6.069 10.308 -4.726 1.00 30.15 H new ATOM 0 HH22 ARG A 58 6.839 9.706 -6.198 1.00 30.15 H new ATOM 882 N TYR A 59 -2.435 8.943 -6.897 1.00 34.22 N ATOM 883 CA TYR A 59 -3.573 8.598 -7.708 1.00 71.43 C ATOM 884 C TYR A 59 -3.930 7.134 -7.519 1.00 52.01 C ATOM 885 O TYR A 59 -3.131 6.242 -7.799 1.00 74.43 O ATOM 886 CB TYR A 59 -3.278 8.876 -9.178 1.00 4.02 C ATOM 887 CG TYR A 59 -3.382 10.332 -9.562 1.00 50.32 C ATOM 888 CD1 TYR A 59 -2.385 11.232 -9.217 1.00 3.21 C ATOM 889 CD2 TYR A 59 -4.477 10.807 -10.272 1.00 1.33 C ATOM 890 CE1 TYR A 59 -2.474 12.566 -9.564 1.00 3.23 C ATOM 891 CE2 TYR A 59 -4.574 12.139 -10.624 1.00 65.54 C ATOM 892 CZ TYR A 59 -3.571 13.013 -10.269 1.00 15.24 C ATOM 893 OH TYR A 59 -3.668 14.342 -10.615 1.00 2.11 O ATOM 0 H TYR A 59 -1.646 8.303 -6.986 1.00 34.22 H new ATOM 0 HA TYR A 59 -4.419 9.210 -7.396 1.00 71.43 H new ATOM 0 HB2 TYR A 59 -2.274 8.521 -9.410 1.00 4.02 H new ATOM 0 HB3 TYR A 59 -3.970 8.299 -9.792 1.00 4.02 H new ATOM 0 HD1 TYR A 59 -1.523 10.884 -8.667 1.00 3.21 H new ATOM 0 HD2 TYR A 59 -5.265 10.124 -10.553 1.00 1.33 H new ATOM 0 HE1 TYR A 59 -1.690 13.254 -9.285 1.00 3.23 H new ATOM 0 HE2 TYR A 59 -5.433 12.493 -11.175 1.00 65.54 H new ATOM 0 HH TYR A 59 -4.501 14.491 -11.109 1.00 2.11 H new ATOM 903 N LEU A 60 -5.132 6.900 -7.039 1.00 71.40 N ATOM 904 CA LEU A 60 -5.644 5.551 -6.880 1.00 22.41 C ATOM 905 C LEU A 60 -6.819 5.352 -7.823 1.00 30.45 C ATOM 906 O LEU A 60 -7.764 6.139 -7.823 1.00 2.14 O ATOM 907 CB LEU A 60 -6.062 5.307 -5.426 1.00 40.10 C ATOM 908 CG LEU A 60 -4.924 5.348 -4.404 1.00 43.44 C ATOM 909 CD1 LEU A 60 -5.464 5.177 -2.993 1.00 11.44 C ATOM 910 CD2 LEU A 60 -3.888 4.278 -4.710 1.00 21.35 C ATOM 0 H LEU A 60 -5.780 7.632 -6.749 1.00 71.40 H new ATOM 0 HA LEU A 60 -4.863 4.831 -7.126 1.00 22.41 H new ATOM 0 HB2 LEU A 60 -6.805 6.055 -5.148 1.00 40.10 H new ATOM 0 HB3 LEU A 60 -6.550 4.334 -5.364 1.00 40.10 H new ATOM 0 HG LEU A 60 -4.441 6.323 -4.472 1.00 43.44 H new ATOM 0 HD11 LEU A 60 -4.639 5.209 -2.281 1.00 11.44 H new ATOM 0 HD12 LEU A 60 -6.165 5.981 -2.772 1.00 11.44 H new ATOM 0 HD13 LEU A 60 -5.975 4.218 -2.913 1.00 11.44 H new ATOM 0 HD21 LEU A 60 -3.088 4.325 -3.971 1.00 21.35 H new ATOM 0 HD22 LEU A 60 -4.358 3.295 -4.674 1.00 21.35 H new ATOM 0 HD23 LEU A 60 -3.474 4.446 -5.704 1.00 21.35 H new ATOM 922 N SER A 61 -6.755 4.295 -8.615 1.00 42.41 N ATOM 923 CA SER A 61 -7.716 4.072 -9.681 1.00 14.33 C ATOM 924 C SER A 61 -7.922 2.577 -9.896 1.00 0.41 C ATOM 925 O SER A 61 -7.104 1.770 -9.459 1.00 61.32 O ATOM 926 CB SER A 61 -7.216 4.737 -10.969 1.00 51.54 C ATOM 927 OG SER A 61 -8.181 4.662 -12.002 1.00 24.42 O ATOM 0 H SER A 61 -6.040 3.572 -8.538 1.00 42.41 H new ATOM 0 HA SER A 61 -8.673 4.514 -9.404 1.00 14.33 H new ATOM 0 HB2 SER A 61 -6.975 5.781 -10.770 1.00 51.54 H new ATOM 0 HB3 SER A 61 -6.295 4.254 -11.295 1.00 51.54 H new ATOM 0 HG SER A 61 -7.832 5.096 -12.808 1.00 24.42 H new ATOM 933 N LYS A 62 -9.034 2.211 -10.518 1.00 4.24 N ATOM 934 CA LYS A 62 -9.311 0.813 -10.821 1.00 41.33 C ATOM 935 C LYS A 62 -8.470 0.337 -12.003 1.00 62.14 C ATOM 936 O LYS A 62 -8.659 0.797 -13.127 1.00 33.15 O ATOM 937 CB LYS A 62 -10.784 0.612 -11.151 1.00 63.13 C ATOM 938 CG LYS A 62 -11.123 -0.842 -11.408 1.00 1.44 C ATOM 939 CD LYS A 62 -12.367 -0.978 -12.252 1.00 72.21 C ATOM 940 CE LYS A 62 -12.633 -2.429 -12.609 1.00 41.21 C ATOM 941 NZ LYS A 62 -13.672 -2.564 -13.660 1.00 43.23 N ATOM 0 H LYS A 62 -9.758 2.861 -10.823 1.00 4.24 H new ATOM 0 HA LYS A 62 -9.055 0.230 -9.936 1.00 41.33 H new ATOM 0 HB2 LYS A 62 -11.393 0.984 -10.327 1.00 63.13 H new ATOM 0 HB3 LYS A 62 -11.041 1.203 -12.030 1.00 63.13 H new ATOM 0 HG2 LYS A 62 -10.287 -1.329 -11.910 1.00 1.44 H new ATOM 0 HG3 LYS A 62 -11.268 -1.356 -10.458 1.00 1.44 H new ATOM 0 HD2 LYS A 62 -13.222 -0.571 -11.712 1.00 72.21 H new ATOM 0 HD3 LYS A 62 -12.257 -0.391 -13.164 1.00 72.21 H new ATOM 0 HE2 LYS A 62 -11.708 -2.893 -12.952 1.00 41.21 H new ATOM 0 HE3 LYS A 62 -12.948 -2.969 -11.717 1.00 41.21 H new ATOM 0 HZ1 LYS A 62 -13.822 -3.571 -13.873 1.00 43.23 H new ATOM 0 HZ2 LYS A 62 -14.562 -2.145 -13.324 1.00 43.23 H new ATOM 0 HZ3 LYS A 62 -13.361 -2.071 -14.521 1.00 43.23 H new ATOM 955 N LEU A 63 -7.544 -0.576 -11.751 1.00 13.13 N ATOM 956 CA LEU A 63 -6.742 -1.144 -12.828 1.00 22.32 C ATOM 957 C LEU A 63 -7.324 -2.475 -13.293 1.00 44.30 C ATOM 958 O LEU A 63 -7.803 -2.594 -14.421 1.00 11.43 O ATOM 959 CB LEU A 63 -5.278 -1.329 -12.403 1.00 12.22 C ATOM 960 CG LEU A 63 -4.399 -0.076 -12.493 1.00 62.34 C ATOM 961 CD1 LEU A 63 -4.792 0.952 -11.446 1.00 25.52 C ATOM 962 CD2 LEU A 63 -2.933 -0.451 -12.350 1.00 54.22 C ATOM 0 H LEU A 63 -7.329 -0.937 -10.822 1.00 13.13 H new ATOM 0 HA LEU A 63 -6.767 -0.439 -13.659 1.00 22.32 H new ATOM 0 HB2 LEU A 63 -5.260 -1.691 -11.375 1.00 12.22 H new ATOM 0 HB3 LEU A 63 -4.834 -2.108 -13.023 1.00 12.22 H new ATOM 0 HG LEU A 63 -4.553 0.375 -13.473 1.00 62.34 H new ATOM 0 HD11 LEU A 63 -4.150 1.828 -11.537 1.00 25.52 H new ATOM 0 HD12 LEU A 63 -5.831 1.246 -11.597 1.00 25.52 H new ATOM 0 HD13 LEU A 63 -4.678 0.520 -10.452 1.00 25.52 H new ATOM 0 HD21 LEU A 63 -2.320 0.448 -12.416 1.00 54.22 H new ATOM 0 HD22 LEU A 63 -2.773 -0.930 -11.384 1.00 54.22 H new ATOM 0 HD23 LEU A 63 -2.654 -1.140 -13.147 1.00 54.22 H new ATOM 974 N GLU A 64 -7.303 -3.470 -12.417 1.00 23.14 N ATOM 975 CA GLU A 64 -7.783 -4.800 -12.762 1.00 15.24 C ATOM 976 C GLU A 64 -8.134 -5.599 -11.515 1.00 73.34 C ATOM 977 O GLU A 64 -7.800 -5.201 -10.393 1.00 64.02 O ATOM 978 CB GLU A 64 -6.725 -5.544 -13.580 1.00 72.13 C ATOM 979 CG GLU A 64 -5.329 -5.478 -12.980 1.00 73.22 C ATOM 980 CD GLU A 64 -4.311 -6.242 -13.796 1.00 74.10 C ATOM 981 OE1 GLU A 64 -4.201 -5.992 -15.017 1.00 41.25 O ATOM 982 OE2 GLU A 64 -3.608 -7.093 -13.227 1.00 15.31 O ATOM 0 H GLU A 64 -6.958 -3.381 -11.461 1.00 23.14 H new ATOM 0 HA GLU A 64 -8.688 -4.689 -13.359 1.00 15.24 H new ATOM 0 HB2 GLU A 64 -7.021 -6.589 -13.675 1.00 72.13 H new ATOM 0 HB3 GLU A 64 -6.698 -5.127 -14.587 1.00 72.13 H new ATOM 0 HG2 GLU A 64 -5.019 -4.436 -12.902 1.00 73.22 H new ATOM 0 HG3 GLU A 64 -5.353 -5.880 -11.967 1.00 73.22 H new ATOM 989 N HIS A 65 -8.810 -6.725 -11.710 1.00 75.31 N ATOM 990 CA HIS A 65 -9.210 -7.577 -10.599 1.00 12.20 C ATOM 991 C HIS A 65 -8.713 -9.007 -10.806 1.00 24.05 C ATOM 992 O HIS A 65 -9.116 -9.925 -10.091 1.00 23.15 O ATOM 993 CB HIS A 65 -10.737 -7.542 -10.398 1.00 23.13 C ATOM 994 CG HIS A 65 -11.544 -8.129 -11.521 1.00 54.12 C ATOM 995 ND1 HIS A 65 -11.934 -7.409 -12.630 1.00 34.35 N ATOM 996 CD2 HIS A 65 -12.053 -9.372 -11.685 1.00 35.41 C ATOM 997 CE1 HIS A 65 -12.650 -8.184 -13.423 1.00 72.33 C ATOM 998 NE2 HIS A 65 -12.734 -9.377 -12.874 1.00 2.40 N ATOM 0 H HIS A 65 -9.092 -7.069 -12.628 1.00 75.31 H new ATOM 0 HA HIS A 65 -8.748 -7.189 -9.691 1.00 12.20 H new ATOM 0 HB2 HIS A 65 -10.979 -8.077 -9.480 1.00 23.13 H new ATOM 0 HB3 HIS A 65 -11.045 -6.506 -10.254 1.00 23.13 H new ATOM 0 HD2 HIS A 65 -11.943 -10.204 -11.006 1.00 35.41 H new ATOM 0 HE1 HIS A 65 -13.092 -7.889 -14.363 1.00 72.33 H new ATOM 0 HE2 HIS A 65 -13.227 -10.177 -13.270 1.00 2.40 H new ATOM 1007 N HIS A 66 -7.833 -9.185 -11.785 1.00 43.20 N ATOM 1008 CA HIS A 66 -7.205 -10.475 -12.043 1.00 2.45 C ATOM 1009 C HIS A 66 -5.947 -10.277 -12.878 1.00 21.05 C ATOM 1010 O HIS A 66 -5.946 -9.487 -13.819 1.00 73.41 O ATOM 1011 CB HIS A 66 -8.171 -11.424 -12.764 1.00 5.32 C ATOM 1012 CG HIS A 66 -8.548 -12.623 -11.949 1.00 11.30 C ATOM 1013 ND1 HIS A 66 -9.798 -13.204 -11.985 1.00 72.52 N ATOM 1014 CD2 HIS A 66 -7.821 -13.364 -11.081 1.00 20.01 C ATOM 1015 CE1 HIS A 66 -9.822 -14.245 -11.174 1.00 52.01 C ATOM 1016 NE2 HIS A 66 -8.635 -14.364 -10.614 1.00 43.13 N ATOM 0 H HIS A 66 -7.536 -8.443 -12.419 1.00 43.20 H new ATOM 0 HA HIS A 66 -6.939 -10.925 -11.087 1.00 2.45 H new ATOM 0 HB2 HIS A 66 -9.075 -10.876 -13.030 1.00 5.32 H new ATOM 0 HB3 HIS A 66 -7.714 -11.757 -13.696 1.00 5.32 H new ATOM 0 HD2 HIS A 66 -6.790 -13.198 -10.807 1.00 20.01 H new ATOM 0 HE1 HIS A 66 -10.670 -14.890 -10.999 1.00 52.01 H new ATOM 0 HE2 HIS A 66 -8.366 -15.083 -9.942 1.00 43.13 H new ATOM 1025 N HIS A 67 -4.874 -10.973 -12.523 1.00 33.22 N ATOM 1026 CA HIS A 67 -3.608 -10.819 -13.237 1.00 45.22 C ATOM 1027 C HIS A 67 -2.992 -12.174 -13.571 1.00 45.41 C ATOM 1028 O HIS A 67 -3.003 -12.596 -14.726 1.00 44.21 O ATOM 1029 CB HIS A 67 -2.621 -9.993 -12.403 1.00 31.52 C ATOM 1030 CG HIS A 67 -1.422 -9.511 -13.172 1.00 34.00 C ATOM 1031 ND1 HIS A 67 -1.335 -8.242 -13.693 1.00 3.30 N ATOM 1032 CD2 HIS A 67 -0.258 -10.127 -13.498 1.00 13.04 C ATOM 1033 CE1 HIS A 67 -0.175 -8.092 -14.304 1.00 73.23 C ATOM 1034 NE2 HIS A 67 0.500 -9.222 -14.200 1.00 62.41 N ATOM 0 H HIS A 67 -4.852 -11.643 -11.754 1.00 33.22 H new ATOM 0 HA HIS A 67 -3.816 -10.297 -14.171 1.00 45.22 H new ATOM 0 HB2 HIS A 67 -3.144 -9.131 -11.989 1.00 31.52 H new ATOM 0 HB3 HIS A 67 -2.281 -10.595 -11.560 1.00 31.52 H new ATOM 0 HD1 HIS A 67 -2.057 -7.525 -13.619 1.00 3.30 H new ATOM 0 HD2 HIS A 67 0.021 -11.141 -13.251 1.00 13.04 H new ATOM 0 HE1 HIS A 67 0.165 -7.197 -14.804 1.00 73.23 H new ATOM 1043 N HIS A 68 -2.479 -12.847 -12.536 1.00 22.45 N ATOM 1044 CA HIS A 68 -1.697 -14.080 -12.690 1.00 14.43 C ATOM 1045 C HIS A 68 -0.330 -13.773 -13.303 1.00 32.32 C ATOM 1046 O HIS A 68 -0.231 -13.231 -14.401 1.00 53.33 O ATOM 1047 CB HIS A 68 -2.439 -15.134 -13.534 1.00 34.31 C ATOM 1048 CG HIS A 68 -1.623 -16.366 -13.813 1.00 22.40 C ATOM 1049 ND1 HIS A 68 -1.492 -17.401 -12.915 1.00 24.32 N ATOM 1050 CD2 HIS A 68 -0.876 -16.712 -14.890 1.00 32.43 C ATOM 1051 CE1 HIS A 68 -0.699 -18.326 -13.424 1.00 73.45 C ATOM 1052 NE2 HIS A 68 -0.307 -17.933 -14.624 1.00 52.31 N ATOM 0 H HIS A 68 -2.594 -12.553 -11.566 1.00 22.45 H new ATOM 0 HA HIS A 68 -1.555 -14.501 -11.694 1.00 14.43 H new ATOM 0 HB2 HIS A 68 -3.353 -15.424 -13.016 1.00 34.31 H new ATOM 0 HB3 HIS A 68 -2.738 -14.684 -14.481 1.00 34.31 H new ATOM 0 HD2 HIS A 68 -0.751 -16.133 -15.793 1.00 32.43 H new ATOM 0 HE1 HIS A 68 -0.417 -19.250 -12.941 1.00 73.45 H new ATOM 0 HE2 HIS A 68 0.314 -18.450 -15.247 1.00 52.31 H new ATOM 1061 N HIS A 69 0.723 -14.123 -12.584 1.00 61.11 N ATOM 1062 CA HIS A 69 2.079 -13.917 -13.071 1.00 53.12 C ATOM 1063 C HIS A 69 2.406 -14.943 -14.148 1.00 64.43 C ATOM 1064 O HIS A 69 2.344 -16.147 -13.905 1.00 72.23 O ATOM 1065 CB HIS A 69 3.085 -14.009 -11.916 1.00 74.44 C ATOM 1066 CG HIS A 69 4.526 -14.006 -12.343 1.00 31.41 C ATOM 1067 ND1 HIS A 69 5.238 -12.855 -12.613 1.00 74.52 N ATOM 1068 CD2 HIS A 69 5.390 -15.030 -12.539 1.00 30.03 C ATOM 1069 CE1 HIS A 69 6.472 -13.175 -12.955 1.00 44.21 C ATOM 1070 NE2 HIS A 69 6.588 -14.488 -12.918 1.00 63.25 N ATOM 0 H HIS A 69 0.666 -14.552 -11.660 1.00 61.11 H new ATOM 0 HA HIS A 69 2.149 -12.919 -13.504 1.00 53.12 H new ATOM 0 HB2 HIS A 69 2.918 -13.172 -11.238 1.00 74.44 H new ATOM 0 HB3 HIS A 69 2.888 -14.920 -11.351 1.00 74.44 H new ATOM 0 HD2 HIS A 69 5.173 -16.081 -12.418 1.00 30.03 H new ATOM 0 HE1 HIS A 69 7.254 -12.479 -13.220 1.00 44.21 H new ATOM 0 HE2 HIS A 69 7.434 -15.014 -13.137 1.00 63.25 H new ATOM 1079 N HIS A 70 2.743 -14.453 -15.331 1.00 44.31 N ATOM 1080 CA HIS A 70 3.098 -15.318 -16.446 1.00 44.03 C ATOM 1081 C HIS A 70 4.440 -15.991 -16.185 1.00 12.15 C ATOM 1082 O HIS A 70 5.468 -15.285 -16.191 1.00 36.87 O ATOM 1083 CB HIS A 70 3.143 -14.519 -17.753 1.00 12.13 C ATOM 1084 CG HIS A 70 3.629 -15.308 -18.935 1.00 33.14 C ATOM 1085 ND1 HIS A 70 4.746 -14.955 -19.662 1.00 5.00 N ATOM 1086 CD2 HIS A 70 3.145 -16.433 -19.520 1.00 52.30 C ATOM 1087 CE1 HIS A 70 4.927 -15.823 -20.639 1.00 14.45 C ATOM 1088 NE2 HIS A 70 3.973 -16.731 -20.576 1.00 70.55 N ATOM 1089 OXT HIS A 70 4.456 -17.222 -15.990 1.00 36.87 O ATOM 0 H HIS A 70 2.778 -13.456 -15.544 1.00 44.31 H new ATOM 0 HA HIS A 70 2.335 -16.090 -16.543 1.00 44.03 H new ATOM 0 HB2 HIS A 70 2.145 -14.139 -17.969 1.00 12.13 H new ATOM 0 HB3 HIS A 70 3.791 -13.653 -17.616 1.00 12.13 H new ATOM 0 HD2 HIS A 70 2.272 -16.990 -19.213 1.00 52.30 H new ATOM 0 HE1 HIS A 70 5.723 -15.795 -21.368 1.00 14.45 H new ATOM 0 HE2 HIS A 70 3.867 -17.525 -21.208 1.00 70.55 H new TER 1098 HIS A 70