USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 19 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.5!) USER MOD Set 2.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 2 ASN : amide:sc= 0.877 K(o=1.9,f=-1.2) USER MOD Set 3.2: A 11 THR OG1 : rot -75:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.56 (180deg=-1.48) USER MOD Single : A 1 MET N :NH3+ 138:sc= 2.3 (180deg=0.944) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.272 K(o=0.27,f=-7.9!) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc=-0.00648 (180deg=-0.132) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 39:sc= 0.72 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= -0.0014 (180deg=-0.0658) USER MOD Single : A 31 GLN : amide:sc= -0.962 K(o=-0.96,f=-8.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.58) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 156:sc= -0.176 (180deg=-0.846) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0756 K(o=-0.076,f=-0.66) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0001) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.236 -11.035 -2.832 1.00 0.00 N ATOM 2 CA MET A 1 -2.475 -10.674 -1.599 1.00 52.33 C ATOM 3 C MET A 1 -3.049 -9.410 -0.947 1.00 23.42 C ATOM 4 O MET A 1 -3.753 -8.631 -1.594 1.00 13.25 O ATOM 5 CB MET A 1 -0.986 -10.450 -1.923 1.00 50.14 C ATOM 6 CG MET A 1 -0.724 -9.232 -2.802 1.00 4.43 C ATOM 7 SD MET A 1 1.032 -8.914 -3.064 1.00 0.31 S ATOM 8 CE MET A 1 1.507 -10.322 -4.063 1.00 73.20 C ATOM 0 H1 MET A 1 -2.572 -11.325 -3.578 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.885 -11.820 -2.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.782 -10.212 -3.156 1.00 0.00 H new ATOM 0 HA MET A 1 -2.570 -11.506 -0.901 1.00 52.33 H new ATOM 0 HB2 MET A 1 -0.434 -10.339 -0.990 1.00 50.14 H new ATOM 0 HB3 MET A 1 -0.595 -11.337 -2.421 1.00 50.14 H new ATOM 0 HG2 MET A 1 -1.209 -9.377 -3.767 1.00 4.43 H new ATOM 0 HG3 MET A 1 -1.182 -8.355 -2.344 1.00 4.43 H new ATOM 0 HE1 MET A 1 2.395 -10.073 -4.644 1.00 73.20 H new ATOM 0 HE2 MET A 1 1.724 -11.171 -3.415 1.00 73.20 H new ATOM 0 HE3 MET A 1 0.692 -10.580 -4.739 1.00 73.20 H new ATOM 20 N ASN A 2 -2.742 -9.211 0.331 1.00 65.44 N ATOM 21 CA ASN A 2 -3.159 -8.005 1.057 1.00 13.24 C ATOM 22 C ASN A 2 -2.020 -6.972 1.103 1.00 3.25 C ATOM 23 O ASN A 2 -0.978 -7.218 1.711 1.00 34.34 O ATOM 24 CB ASN A 2 -3.593 -8.380 2.480 1.00 23.11 C ATOM 25 CG ASN A 2 -4.676 -9.443 2.485 1.00 30.12 C ATOM 26 OD1 ASN A 2 -5.466 -9.546 1.553 1.00 63.42 O ATOM 27 ND2 ASN A 2 -4.724 -10.242 3.530 1.00 62.44 N ATOM 0 H ASN A 2 -2.203 -9.870 0.892 1.00 65.44 H new ATOM 0 HA ASN A 2 -4.002 -7.557 0.531 1.00 13.24 H new ATOM 0 HB2 ASN A 2 -2.729 -8.740 3.039 1.00 23.11 H new ATOM 0 HB3 ASN A 2 -3.957 -7.490 2.994 1.00 23.11 H new ATOM 0 HD21 ASN A 2 -5.433 -10.973 3.581 1.00 62.44 H new ATOM 0 HD22 ASN A 2 -4.052 -10.130 4.289 1.00 62.44 H new ATOM 34 N LEU A 3 -2.216 -5.824 0.450 1.00 44.15 N ATOM 35 CA LEU A 3 -1.188 -4.773 0.398 1.00 71.25 C ATOM 36 C LEU A 3 -1.706 -3.442 0.967 1.00 71.22 C ATOM 37 O LEU A 3 -2.785 -2.974 0.601 1.00 43.43 O ATOM 38 CB LEU A 3 -0.718 -4.558 -1.050 1.00 25.23 C ATOM 39 CG LEU A 3 -0.045 -5.769 -1.717 1.00 24.54 C ATOM 40 CD1 LEU A 3 0.371 -5.432 -3.148 1.00 41.31 C ATOM 41 CD2 LEU A 3 1.155 -6.241 -0.898 1.00 74.11 C ATOM 0 H LEU A 3 -3.075 -5.596 -0.051 1.00 44.15 H new ATOM 0 HA LEU A 3 -0.352 -5.107 1.012 1.00 71.25 H new ATOM 0 HB2 LEU A 3 -1.578 -4.265 -1.652 1.00 25.23 H new ATOM 0 HB3 LEU A 3 -0.019 -3.722 -1.066 1.00 25.23 H new ATOM 0 HG LEU A 3 -0.768 -6.584 -1.756 1.00 24.54 H new ATOM 0 HD11 LEU A 3 0.845 -6.301 -3.603 1.00 41.31 H new ATOM 0 HD12 LEU A 3 -0.510 -5.154 -3.727 1.00 41.31 H new ATOM 0 HD13 LEU A 3 1.075 -4.600 -3.136 1.00 41.31 H new ATOM 0 HD21 LEU A 3 1.616 -7.098 -1.389 1.00 74.11 H new ATOM 0 HD22 LEU A 3 1.883 -5.433 -0.820 1.00 74.11 H new ATOM 0 HD23 LEU A 3 0.824 -6.529 0.100 1.00 74.11 H new ATOM 53 N THR A 4 -0.929 -2.832 1.857 1.00 32.22 N ATOM 54 CA THR A 4 -1.292 -1.534 2.437 1.00 60.33 C ATOM 55 C THR A 4 -0.826 -0.379 1.537 1.00 64.24 C ATOM 56 O THR A 4 0.261 0.171 1.721 1.00 12.04 O ATOM 57 CB THR A 4 -0.694 -1.360 3.856 1.00 12.33 C ATOM 58 OG1 THR A 4 -1.073 -2.463 4.690 1.00 52.32 O ATOM 59 CG2 THR A 4 -1.157 -0.057 4.501 1.00 72.31 C ATOM 0 H THR A 4 -0.044 -3.211 2.195 1.00 32.22 H new ATOM 0 HA THR A 4 -2.379 -1.510 2.513 1.00 60.33 H new ATOM 0 HB THR A 4 0.391 -1.329 3.755 1.00 12.33 H new ATOM 0 HG1 THR A 4 -0.689 -2.344 5.584 1.00 52.32 H new ATOM 0 HG21 THR A 4 -0.719 0.033 5.495 1.00 72.31 H new ATOM 0 HG22 THR A 4 -0.839 0.786 3.887 1.00 72.31 H new ATOM 0 HG23 THR A 4 -2.244 -0.057 4.582 1.00 72.31 H new ATOM 67 N VAL A 5 -1.646 -0.026 0.550 1.00 14.35 N ATOM 68 CA VAL A 5 -1.279 1.010 -0.426 1.00 40.51 C ATOM 69 C VAL A 5 -1.550 2.424 0.119 1.00 31.53 C ATOM 70 O VAL A 5 -2.690 2.781 0.419 1.00 42.02 O ATOM 71 CB VAL A 5 -2.018 0.807 -1.779 1.00 71.53 C ATOM 72 CG1 VAL A 5 -3.536 0.806 -1.594 1.00 23.32 C ATOM 73 CG2 VAL A 5 -1.592 1.869 -2.795 1.00 2.34 C ATOM 0 H VAL A 5 -2.567 -0.438 0.401 1.00 14.35 H new ATOM 0 HA VAL A 5 -0.208 0.911 -0.602 1.00 40.51 H new ATOM 0 HB VAL A 5 -1.734 -0.171 -2.167 1.00 71.53 H new ATOM 0 HG11 VAL A 5 -4.020 0.662 -2.560 1.00 23.32 H new ATOM 0 HG12 VAL A 5 -3.820 -0.003 -0.921 1.00 23.32 H new ATOM 0 HG13 VAL A 5 -3.851 1.759 -1.169 1.00 23.32 H new ATOM 0 HG21 VAL A 5 -2.122 1.707 -3.734 1.00 2.34 H new ATOM 0 HG22 VAL A 5 -1.832 2.859 -2.409 1.00 2.34 H new ATOM 0 HG23 VAL A 5 -0.518 1.798 -2.967 1.00 2.34 H new ATOM 83 N ASN A 6 -0.482 3.213 0.268 1.00 31.43 N ATOM 84 CA ASN A 6 -0.577 4.596 0.773 1.00 2.35 C ATOM 85 C ASN A 6 -1.195 4.671 2.187 1.00 72.13 C ATOM 86 O ASN A 6 -1.573 5.746 2.653 1.00 43.50 O ATOM 87 CB ASN A 6 -1.384 5.462 -0.206 1.00 54.44 C ATOM 88 CG ASN A 6 -0.698 5.607 -1.552 1.00 54.32 C ATOM 89 OD1 ASN A 6 0.523 5.610 -1.644 1.00 1.12 O ATOM 90 ND2 ASN A 6 -1.473 5.715 -2.610 1.00 1.42 N ATOM 0 H ASN A 6 0.469 2.919 0.045 1.00 31.43 H new ATOM 0 HA ASN A 6 0.440 4.980 0.849 1.00 2.35 H new ATOM 0 HB2 ASN A 6 -2.370 5.020 -0.350 1.00 54.44 H new ATOM 0 HB3 ASN A 6 -1.538 6.450 0.229 1.00 54.44 H new ATOM 0 HD21 ASN A 6 -1.059 5.804 -3.538 1.00 1.42 H new ATOM 0 HD22 ASN A 6 -2.487 5.709 -2.502 1.00 1.42 H new ATOM 97 N GLY A 7 -1.265 3.530 2.873 1.00 12.11 N ATOM 98 CA GLY A 7 -1.874 3.478 4.203 1.00 33.21 C ATOM 99 C GLY A 7 -3.225 2.767 4.219 1.00 65.44 C ATOM 100 O GLY A 7 -3.820 2.567 5.278 1.00 74.54 O ATOM 0 H GLY A 7 -0.911 2.636 2.534 1.00 12.11 H new ATOM 0 HA2 GLY A 7 -1.195 2.969 4.887 1.00 33.21 H new ATOM 0 HA3 GLY A 7 -2.001 4.494 4.577 1.00 33.21 H new ATOM 104 N LYS A 8 -3.707 2.379 3.043 1.00 32.51 N ATOM 105 CA LYS A 8 -4.994 1.683 2.915 1.00 73.44 C ATOM 106 C LYS A 8 -4.800 0.193 2.571 1.00 42.01 C ATOM 107 O LYS A 8 -4.421 -0.150 1.450 1.00 24.12 O ATOM 108 CB LYS A 8 -5.849 2.365 1.840 1.00 44.32 C ATOM 109 CG LYS A 8 -6.100 3.845 2.115 1.00 1.52 C ATOM 110 CD LYS A 8 -6.919 4.504 1.005 1.00 14.11 C ATOM 111 CE LYS A 8 -7.131 5.994 1.261 1.00 41.41 C ATOM 112 NZ LYS A 8 -7.869 6.245 2.528 1.00 73.12 N ATOM 0 H LYS A 8 -3.227 2.533 2.157 1.00 32.51 H new ATOM 0 HA LYS A 8 -5.505 1.738 3.876 1.00 73.44 H new ATOM 0 HB2 LYS A 8 -5.356 2.261 0.874 1.00 44.32 H new ATOM 0 HB3 LYS A 8 -6.806 1.849 1.766 1.00 44.32 H new ATOM 0 HG2 LYS A 8 -6.624 3.953 3.065 1.00 1.52 H new ATOM 0 HG3 LYS A 8 -5.146 4.362 2.217 1.00 1.52 H new ATOM 0 HD2 LYS A 8 -6.411 4.369 0.050 1.00 14.11 H new ATOM 0 HD3 LYS A 8 -7.886 4.008 0.925 1.00 14.11 H new ATOM 0 HE2 LYS A 8 -6.164 6.496 1.300 1.00 41.41 H new ATOM 0 HE3 LYS A 8 -7.683 6.429 0.428 1.00 41.41 H new ATOM 0 HZ1 LYS A 8 -8.139 7.248 2.580 1.00 73.12 H new ATOM 0 HZ2 LYS A 8 -8.725 5.654 2.554 1.00 73.12 H new ATOM 0 HZ3 LYS A 8 -7.260 6.008 3.337 1.00 73.12 H new ATOM 126 N PRO A 9 -5.032 -0.712 3.544 1.00 12.53 N ATOM 127 CA PRO A 9 -4.925 -2.168 3.324 1.00 72.31 C ATOM 128 C PRO A 9 -5.985 -2.705 2.344 1.00 12.42 C ATOM 129 O PRO A 9 -7.146 -2.916 2.714 1.00 41.43 O ATOM 130 CB PRO A 9 -5.128 -2.770 4.731 1.00 2.31 C ATOM 131 CG PRO A 9 -4.953 -1.627 5.679 1.00 4.33 C ATOM 132 CD PRO A 9 -5.398 -0.397 4.933 1.00 65.54 C ATOM 0 HA PRO A 9 -3.970 -2.433 2.870 1.00 72.31 H new ATOM 0 HB2 PRO A 9 -6.118 -3.214 4.829 1.00 2.31 H new ATOM 0 HB3 PRO A 9 -4.403 -3.560 4.929 1.00 2.31 H new ATOM 0 HG2 PRO A 9 -5.548 -1.773 6.580 1.00 4.33 H new ATOM 0 HG3 PRO A 9 -3.913 -1.537 5.994 1.00 4.33 H new ATOM 0 HD2 PRO A 9 -6.469 -0.223 5.040 1.00 65.54 H new ATOM 0 HD3 PRO A 9 -4.892 0.499 5.292 1.00 65.54 H new ATOM 140 N SER A 10 -5.587 -2.904 1.089 1.00 54.22 N ATOM 141 CA SER A 10 -6.494 -3.424 0.058 1.00 63.20 C ATOM 142 C SER A 10 -6.079 -4.827 -0.402 1.00 34.15 C ATOM 143 O SER A 10 -4.892 -5.116 -0.578 1.00 63.42 O ATOM 144 CB SER A 10 -6.527 -2.481 -1.150 1.00 11.31 C ATOM 145 OG SER A 10 -7.400 -2.966 -2.161 1.00 51.11 O ATOM 0 H SER A 10 -4.641 -2.714 0.757 1.00 54.22 H new ATOM 0 HA SER A 10 -7.488 -3.487 0.501 1.00 63.20 H new ATOM 0 HB2 SER A 10 -6.851 -1.490 -0.832 1.00 11.31 H new ATOM 0 HB3 SER A 10 -5.522 -2.372 -1.556 1.00 11.31 H new ATOM 0 HG SER A 10 -7.402 -2.343 -2.918 1.00 51.11 H new ATOM 151 N THR A 11 -7.063 -5.700 -0.599 1.00 74.21 N ATOM 152 CA THR A 11 -6.805 -7.069 -1.061 1.00 62.24 C ATOM 153 C THR A 11 -6.805 -7.151 -2.594 1.00 35.03 C ATOM 154 O THR A 11 -7.863 -7.172 -3.227 1.00 51.10 O ATOM 155 CB THR A 11 -7.848 -8.070 -0.494 1.00 74.33 C ATOM 156 OG1 THR A 11 -7.796 -8.081 0.945 1.00 4.11 O ATOM 157 CG2 THR A 11 -7.603 -9.481 -1.020 1.00 34.53 C ATOM 0 H THR A 11 -8.049 -5.488 -0.447 1.00 74.21 H new ATOM 0 HA THR A 11 -5.817 -7.343 -0.690 1.00 62.24 H new ATOM 0 HB THR A 11 -8.834 -7.743 -0.823 1.00 74.33 H new ATOM 0 HG1 THR A 11 -7.005 -8.579 1.240 1.00 4.11 H new ATOM 0 HG21 THR A 11 -8.349 -10.159 -0.605 1.00 34.53 H new ATOM 0 HG22 THR A 11 -7.677 -9.482 -2.107 1.00 34.53 H new ATOM 0 HG23 THR A 11 -6.608 -9.812 -0.724 1.00 34.53 H new ATOM 165 N VAL A 12 -5.618 -7.164 -3.190 1.00 41.32 N ATOM 166 CA VAL A 12 -5.484 -7.370 -4.635 1.00 24.10 C ATOM 167 C VAL A 12 -5.448 -8.874 -4.956 1.00 70.24 C ATOM 168 O VAL A 12 -4.495 -9.580 -4.610 1.00 71.53 O ATOM 169 CB VAL A 12 -4.227 -6.659 -5.207 1.00 35.02 C ATOM 170 CG1 VAL A 12 -4.398 -5.141 -5.151 1.00 54.34 C ATOM 171 CG2 VAL A 12 -2.966 -7.080 -4.456 1.00 35.41 C ATOM 0 H VAL A 12 -4.733 -7.035 -2.699 1.00 41.32 H new ATOM 0 HA VAL A 12 -6.355 -6.924 -5.115 1.00 24.10 H new ATOM 0 HB VAL A 12 -4.116 -6.961 -6.249 1.00 35.02 H new ATOM 0 HG11 VAL A 12 -3.508 -4.659 -5.556 1.00 54.34 H new ATOM 0 HG12 VAL A 12 -5.268 -4.851 -5.741 1.00 54.34 H new ATOM 0 HG13 VAL A 12 -4.541 -4.829 -4.116 1.00 54.34 H new ATOM 0 HG21 VAL A 12 -2.102 -6.566 -4.878 1.00 35.41 H new ATOM 0 HG22 VAL A 12 -3.065 -6.817 -3.403 1.00 35.41 H new ATOM 0 HG23 VAL A 12 -2.829 -8.157 -4.550 1.00 35.41 H new ATOM 181 N ASP A 13 -6.504 -9.362 -5.597 1.00 74.42 N ATOM 182 CA ASP A 13 -6.682 -10.799 -5.816 1.00 71.15 C ATOM 183 C ASP A 13 -5.976 -11.285 -7.097 1.00 45.43 C ATOM 184 O ASP A 13 -5.651 -10.496 -7.986 1.00 33.43 O ATOM 185 CB ASP A 13 -8.178 -11.130 -5.866 1.00 11.14 C ATOM 186 CG ASP A 13 -8.443 -12.623 -5.826 1.00 41.51 C ATOM 187 OD1 ASP A 13 -7.813 -13.319 -5.000 1.00 14.22 O ATOM 188 OD2 ASP A 13 -9.291 -13.106 -6.601 1.00 65.41 O ATOM 0 H ASP A 13 -7.254 -8.784 -5.977 1.00 74.42 H new ATOM 0 HA ASP A 13 -6.219 -11.325 -4.981 1.00 71.15 H new ATOM 0 HB2 ASP A 13 -8.681 -10.652 -5.025 1.00 11.14 H new ATOM 0 HB3 ASP A 13 -8.609 -10.712 -6.775 1.00 11.14 H new ATOM 193 N GLY A 14 -5.747 -12.597 -7.176 1.00 14.24 N ATOM 194 CA GLY A 14 -5.031 -13.179 -8.310 1.00 13.23 C ATOM 195 C GLY A 14 -3.525 -12.939 -8.247 1.00 33.44 C ATOM 196 O GLY A 14 -2.800 -13.188 -9.215 1.00 71.23 O ATOM 0 H GLY A 14 -6.045 -13.272 -6.472 1.00 14.24 H new ATOM 0 HA2 GLY A 14 -5.222 -14.252 -8.342 1.00 13.23 H new ATOM 0 HA3 GLY A 14 -5.423 -12.758 -9.236 1.00 13.23 H new ATOM 200 N ALA A 15 -3.050 -12.472 -7.097 1.00 40.21 N ATOM 201 CA ALA A 15 -1.637 -12.137 -6.916 1.00 71.53 C ATOM 202 C ALA A 15 -1.129 -12.572 -5.535 1.00 60.32 C ATOM 203 O ALA A 15 -1.415 -11.925 -4.529 1.00 44.21 O ATOM 204 CB ALA A 15 -1.430 -10.638 -7.106 1.00 52.24 C ATOM 0 H ALA A 15 -3.625 -12.315 -6.270 1.00 40.21 H new ATOM 0 HA ALA A 15 -1.062 -12.679 -7.667 1.00 71.53 H new ATOM 0 HB1 ALA A 15 -0.376 -10.396 -6.970 1.00 52.24 H new ATOM 0 HB2 ALA A 15 -1.741 -10.352 -8.111 1.00 52.24 H new ATOM 0 HB3 ALA A 15 -2.025 -10.093 -6.373 1.00 52.24 H new ATOM 210 N GLU A 16 -0.392 -13.681 -5.488 1.00 32.35 N ATOM 211 CA GLU A 16 0.178 -14.178 -4.226 1.00 1.04 C ATOM 212 C GLU A 16 1.645 -13.753 -4.058 1.00 71.42 C ATOM 213 O GLU A 16 2.123 -13.569 -2.937 1.00 60.43 O ATOM 214 CB GLU A 16 0.066 -15.705 -4.157 1.00 40.20 C ATOM 215 CG GLU A 16 0.821 -16.437 -5.261 1.00 33.02 C ATOM 216 CD GLU A 16 0.597 -17.935 -5.204 1.00 74.55 C ATOM 217 OE1 GLU A 16 -0.471 -18.389 -5.661 1.00 75.11 O ATOM 218 OE2 GLU A 16 1.474 -18.660 -4.686 1.00 4.24 O ATOM 0 H GLU A 16 -0.173 -14.254 -6.303 1.00 32.35 H new ATOM 0 HA GLU A 16 -0.395 -13.735 -3.411 1.00 1.04 H new ATOM 0 HB2 GLU A 16 0.441 -16.042 -3.191 1.00 40.20 H new ATOM 0 HB3 GLU A 16 -0.987 -15.984 -4.206 1.00 40.20 H new ATOM 0 HG2 GLU A 16 0.500 -16.059 -6.232 1.00 33.02 H new ATOM 0 HG3 GLU A 16 1.887 -16.226 -5.173 1.00 33.02 H new ATOM 225 N SER A 17 2.352 -13.596 -5.177 1.00 50.23 N ATOM 226 CA SER A 17 3.765 -13.191 -5.158 1.00 71.04 C ATOM 227 C SER A 17 4.198 -12.628 -6.518 1.00 34.25 C ATOM 228 O SER A 17 4.366 -13.375 -7.482 1.00 33.42 O ATOM 229 CB SER A 17 4.663 -14.382 -4.781 1.00 44.10 C ATOM 230 OG SER A 17 4.518 -15.456 -5.704 1.00 30.43 O ATOM 0 H SER A 17 1.972 -13.743 -6.112 1.00 50.23 H new ATOM 0 HA SER A 17 3.874 -12.408 -4.408 1.00 71.04 H new ATOM 0 HB2 SER A 17 5.704 -14.061 -4.756 1.00 44.10 H new ATOM 0 HB3 SER A 17 4.411 -14.726 -3.778 1.00 44.10 H new ATOM 0 HG SER A 17 4.433 -15.098 -6.612 1.00 30.43 H new ATOM 236 N LEU A 18 4.373 -11.310 -6.597 1.00 73.53 N ATOM 237 CA LEU A 18 4.811 -10.663 -7.841 1.00 23.01 C ATOM 238 C LEU A 18 5.747 -9.484 -7.565 1.00 54.23 C ATOM 239 O LEU A 18 5.734 -8.902 -6.484 1.00 24.10 O ATOM 240 CB LEU A 18 3.601 -10.213 -8.692 1.00 21.01 C ATOM 241 CG LEU A 18 2.465 -9.454 -7.965 1.00 0.43 C ATOM 242 CD1 LEU A 18 2.921 -8.086 -7.456 1.00 22.51 C ATOM 243 CD2 LEU A 18 1.257 -9.300 -8.891 1.00 12.11 C ATOM 0 H LEU A 18 4.220 -10.668 -5.820 1.00 73.53 H new ATOM 0 HA LEU A 18 5.371 -11.405 -8.410 1.00 23.01 H new ATOM 0 HB2 LEU A 18 3.972 -9.576 -9.495 1.00 21.01 H new ATOM 0 HB3 LEU A 18 3.170 -11.098 -9.160 1.00 21.01 H new ATOM 0 HG LEU A 18 2.181 -10.046 -7.095 1.00 0.43 H new ATOM 0 HD11 LEU A 18 2.091 -7.590 -6.953 1.00 22.51 H new ATOM 0 HD12 LEU A 18 3.746 -8.215 -6.755 1.00 22.51 H new ATOM 0 HD13 LEU A 18 3.252 -7.477 -8.297 1.00 22.51 H new ATOM 0 HD21 LEU A 18 0.464 -8.765 -8.369 1.00 12.11 H new ATOM 0 HD22 LEU A 18 1.549 -8.740 -9.780 1.00 12.11 H new ATOM 0 HD23 LEU A 18 0.896 -10.286 -9.185 1.00 12.11 H new ATOM 255 N ASN A 19 6.563 -9.139 -8.548 1.00 71.34 N ATOM 256 CA ASN A 19 7.463 -7.993 -8.433 1.00 65.24 C ATOM 257 C ASN A 19 6.731 -6.681 -8.772 1.00 53.41 C ATOM 258 O ASN A 19 5.649 -6.694 -9.366 1.00 53.21 O ATOM 259 CB ASN A 19 8.681 -8.207 -9.333 1.00 53.42 C ATOM 260 CG ASN A 19 8.285 -8.538 -10.754 1.00 73.30 C ATOM 261 OD1 ASN A 19 7.989 -9.684 -11.072 1.00 4.21 O ATOM 262 ND2 ASN A 19 8.302 -7.553 -11.623 1.00 55.23 N ATOM 0 H ASN A 19 6.624 -9.634 -9.438 1.00 71.34 H new ATOM 0 HA ASN A 19 7.806 -7.909 -7.402 1.00 65.24 H new ATOM 0 HB2 ASN A 19 9.297 -7.308 -9.329 1.00 53.42 H new ATOM 0 HB3 ASN A 19 9.292 -9.014 -8.930 1.00 53.42 H new ATOM 0 HD21 ASN A 19 8.064 -7.730 -12.599 1.00 55.23 H new ATOM 0 HD22 ASN A 19 8.553 -6.611 -11.322 1.00 55.23 H new ATOM 269 N VAL A 20 7.333 -5.553 -8.398 1.00 54.32 N ATOM 270 CA VAL A 20 6.681 -4.237 -8.519 1.00 42.11 C ATOM 271 C VAL A 20 6.170 -3.954 -9.945 1.00 31.33 C ATOM 272 O VAL A 20 5.136 -3.307 -10.118 1.00 10.34 O ATOM 273 CB VAL A 20 7.632 -3.097 -8.078 1.00 71.02 C ATOM 274 CG1 VAL A 20 6.927 -1.737 -8.121 1.00 25.13 C ATOM 275 CG2 VAL A 20 8.184 -3.374 -6.682 1.00 11.21 C ATOM 0 H VAL A 20 8.274 -5.518 -8.007 1.00 54.32 H new ATOM 0 HA VAL A 20 5.818 -4.269 -7.854 1.00 42.11 H new ATOM 0 HB VAL A 20 8.464 -3.062 -8.781 1.00 71.02 H new ATOM 0 HG11 VAL A 20 7.621 -0.957 -7.806 1.00 25.13 H new ATOM 0 HG12 VAL A 20 6.590 -1.534 -9.138 1.00 25.13 H new ATOM 0 HG13 VAL A 20 6.068 -1.751 -7.450 1.00 25.13 H new ATOM 0 HG21 VAL A 20 8.851 -2.564 -6.387 1.00 11.21 H new ATOM 0 HG22 VAL A 20 7.360 -3.443 -5.972 1.00 11.21 H new ATOM 0 HG23 VAL A 20 8.736 -4.314 -6.689 1.00 11.21 H new ATOM 285 N THR A 21 6.886 -4.445 -10.955 1.00 45.24 N ATOM 286 CA THR A 21 6.467 -4.279 -12.361 1.00 43.23 C ATOM 287 C THR A 21 5.013 -4.739 -12.572 1.00 12.43 C ATOM 288 O THR A 21 4.168 -3.987 -13.070 1.00 35.42 O ATOM 289 CB THR A 21 7.374 -5.082 -13.324 1.00 71.01 C ATOM 290 OG1 THR A 21 8.757 -4.840 -13.024 1.00 41.04 O ATOM 291 CG2 THR A 21 7.098 -4.714 -14.779 1.00 50.40 C ATOM 0 H THR A 21 7.758 -4.961 -10.835 1.00 45.24 H new ATOM 0 HA THR A 21 6.552 -3.215 -12.582 1.00 43.23 H new ATOM 0 HB THR A 21 7.150 -6.140 -13.185 1.00 71.01 H new ATOM 0 HG1 THR A 21 9.320 -5.355 -13.639 1.00 41.04 H new ATOM 0 HG21 THR A 21 7.750 -5.295 -15.431 1.00 50.40 H new ATOM 0 HG22 THR A 21 6.057 -4.933 -15.019 1.00 50.40 H new ATOM 0 HG23 THR A 21 7.289 -3.651 -14.928 1.00 50.40 H new ATOM 299 N GLU A 22 4.731 -5.982 -12.181 1.00 14.44 N ATOM 300 CA GLU A 22 3.382 -6.551 -12.290 1.00 4.02 C ATOM 301 C GLU A 22 2.397 -5.857 -11.337 1.00 52.43 C ATOM 302 O GLU A 22 1.214 -5.709 -11.651 1.00 42.12 O ATOM 303 CB GLU A 22 3.431 -8.066 -12.022 1.00 42.51 C ATOM 304 CG GLU A 22 3.925 -8.899 -13.210 1.00 30.23 C ATOM 305 CD GLU A 22 5.190 -8.349 -13.861 1.00 41.31 C ATOM 306 OE1 GLU A 22 6.289 -8.517 -13.297 1.00 53.12 O ATOM 307 OE2 GLU A 22 5.088 -7.750 -14.954 1.00 51.11 O ATOM 0 H GLU A 22 5.421 -6.619 -11.783 1.00 14.44 H new ATOM 0 HA GLU A 22 3.021 -6.382 -13.304 1.00 4.02 H new ATOM 0 HB2 GLU A 22 4.081 -8.251 -11.167 1.00 42.51 H new ATOM 0 HB3 GLU A 22 2.434 -8.407 -11.744 1.00 42.51 H new ATOM 0 HG2 GLU A 22 4.114 -9.919 -12.874 1.00 30.23 H new ATOM 0 HG3 GLU A 22 3.135 -8.951 -13.959 1.00 30.23 H new ATOM 314 N LEU A 23 2.887 -5.422 -10.179 1.00 22.34 N ATOM 315 CA LEU A 23 2.075 -4.627 -9.246 1.00 32.34 C ATOM 316 C LEU A 23 1.522 -3.372 -9.952 1.00 64.54 C ATOM 317 O LEU A 23 0.342 -3.038 -9.823 1.00 21.13 O ATOM 318 CB LEU A 23 2.919 -4.247 -8.011 1.00 4.51 C ATOM 319 CG LEU A 23 2.171 -3.582 -6.828 1.00 15.31 C ATOM 320 CD1 LEU A 23 2.994 -3.695 -5.547 1.00 14.13 C ATOM 321 CD2 LEU A 23 1.866 -2.108 -7.110 1.00 31.40 C ATOM 0 H LEU A 23 3.839 -5.603 -9.860 1.00 22.34 H new ATOM 0 HA LEU A 23 1.226 -5.222 -8.911 1.00 32.34 H new ATOM 0 HB2 LEU A 23 3.404 -5.150 -7.641 1.00 4.51 H new ATOM 0 HB3 LEU A 23 3.710 -3.571 -8.336 1.00 4.51 H new ATOM 0 HG LEU A 23 1.226 -4.110 -6.703 1.00 15.31 H new ATOM 0 HD11 LEU A 23 2.455 -3.223 -4.725 1.00 14.13 H new ATOM 0 HD12 LEU A 23 3.162 -4.746 -5.314 1.00 14.13 H new ATOM 0 HD13 LEU A 23 3.953 -3.196 -5.686 1.00 14.13 H new ATOM 0 HD21 LEU A 23 1.341 -1.676 -6.258 1.00 31.40 H new ATOM 0 HD22 LEU A 23 2.799 -1.568 -7.274 1.00 31.40 H new ATOM 0 HD23 LEU A 23 1.241 -2.030 -7.999 1.00 31.40 H new ATOM 333 N LEU A 24 2.378 -2.691 -10.714 1.00 11.13 N ATOM 334 CA LEU A 24 1.964 -1.513 -11.487 1.00 3.25 C ATOM 335 C LEU A 24 0.880 -1.875 -12.518 1.00 60.12 C ATOM 336 O LEU A 24 0.007 -1.064 -12.830 1.00 2.11 O ATOM 337 CB LEU A 24 3.173 -0.887 -12.199 1.00 54.14 C ATOM 338 CG LEU A 24 4.299 -0.397 -11.272 1.00 15.33 C ATOM 339 CD1 LEU A 24 5.485 0.120 -12.082 1.00 52.14 C ATOM 340 CD2 LEU A 24 3.785 0.680 -10.321 1.00 55.53 C ATOM 0 H LEU A 24 3.364 -2.933 -10.815 1.00 11.13 H new ATOM 0 HA LEU A 24 1.545 -0.788 -10.789 1.00 3.25 H new ATOM 0 HB2 LEU A 24 3.587 -1.621 -12.890 1.00 54.14 H new ATOM 0 HB3 LEU A 24 2.826 -0.045 -12.798 1.00 54.14 H new ATOM 0 HG LEU A 24 4.639 -1.244 -10.677 1.00 15.33 H new ATOM 0 HD11 LEU A 24 6.268 0.461 -11.404 1.00 52.14 H new ATOM 0 HD12 LEU A 24 5.873 -0.681 -12.711 1.00 52.14 H new ATOM 0 HD13 LEU A 24 5.162 0.950 -12.710 1.00 52.14 H new ATOM 0 HD21 LEU A 24 4.597 1.012 -9.675 1.00 55.53 H new ATOM 0 HD22 LEU A 24 3.411 1.526 -10.898 1.00 55.53 H new ATOM 0 HD23 LEU A 24 2.979 0.272 -9.711 1.00 55.53 H new ATOM 352 N SER A 25 0.950 -3.099 -13.044 1.00 54.10 N ATOM 353 CA SER A 25 -0.066 -3.605 -13.982 1.00 65.11 C ATOM 354 C SER A 25 -1.429 -3.771 -13.292 1.00 12.13 C ATOM 355 O SER A 25 -2.473 -3.533 -13.899 1.00 11.42 O ATOM 356 CB SER A 25 0.369 -4.950 -14.591 1.00 45.14 C ATOM 357 OG SER A 25 -0.624 -5.472 -15.469 1.00 45.25 O ATOM 0 H SER A 25 1.698 -3.762 -12.839 1.00 54.10 H new ATOM 0 HA SER A 25 -0.165 -2.868 -14.779 1.00 65.11 H new ATOM 0 HB2 SER A 25 1.304 -4.818 -15.135 1.00 45.14 H new ATOM 0 HB3 SER A 25 0.563 -5.666 -13.793 1.00 45.14 H new ATOM 0 HG SER A 25 -0.317 -6.325 -15.840 1.00 45.25 H new ATOM 363 N ALA A 26 -1.411 -4.168 -12.018 1.00 52.22 N ATOM 364 CA ALA A 26 -2.646 -4.334 -11.237 1.00 23.51 C ATOM 365 C ALA A 26 -3.443 -3.021 -11.150 1.00 3.34 C ATOM 366 O ALA A 26 -4.668 -3.010 -11.281 1.00 0.44 O ATOM 367 CB ALA A 26 -2.314 -4.851 -9.841 1.00 21.00 C ATOM 0 H ALA A 26 -0.557 -4.381 -11.502 1.00 52.22 H new ATOM 0 HA ALA A 26 -3.273 -5.063 -11.749 1.00 23.51 H new ATOM 0 HB1 ALA A 26 -3.234 -4.971 -9.269 1.00 21.00 H new ATOM 0 HB2 ALA A 26 -1.808 -5.813 -9.920 1.00 21.00 H new ATOM 0 HB3 ALA A 26 -1.663 -4.139 -9.335 1.00 21.00 H new ATOM 373 N LEU A 27 -2.741 -1.913 -10.918 1.00 14.15 N ATOM 374 CA LEU A 27 -3.370 -0.581 -10.911 1.00 1.14 C ATOM 375 C LEU A 27 -3.512 -0.037 -12.343 1.00 62.25 C ATOM 376 O LEU A 27 -4.374 0.801 -12.626 1.00 41.31 O ATOM 377 CB LEU A 27 -2.550 0.409 -10.059 1.00 55.13 C ATOM 378 CG LEU A 27 -2.541 0.149 -8.537 1.00 12.54 C ATOM 379 CD1 LEU A 27 -1.828 -1.157 -8.197 1.00 71.53 C ATOM 380 CD2 LEU A 27 -1.894 1.320 -7.795 1.00 30.32 C ATOM 0 H LEU A 27 -1.738 -1.905 -10.732 1.00 14.15 H new ATOM 0 HA LEU A 27 -4.362 -0.686 -10.472 1.00 1.14 H new ATOM 0 HB2 LEU A 27 -1.520 0.397 -10.415 1.00 55.13 H new ATOM 0 HB3 LEU A 27 -2.936 1.413 -10.233 1.00 55.13 H new ATOM 0 HG LEU A 27 -3.577 0.057 -8.211 1.00 12.54 H new ATOM 0 HD11 LEU A 27 -1.841 -1.308 -7.118 1.00 71.53 H new ATOM 0 HD12 LEU A 27 -2.337 -1.988 -8.686 1.00 71.53 H new ATOM 0 HD13 LEU A 27 -0.796 -1.109 -8.545 1.00 71.53 H new ATOM 0 HD21 LEU A 27 -1.897 1.118 -6.724 1.00 30.32 H new ATOM 0 HD22 LEU A 27 -0.867 1.445 -8.138 1.00 30.32 H new ATOM 0 HD23 LEU A 27 -2.457 2.232 -7.994 1.00 30.32 H new ATOM 392 N LYS A 28 -2.654 -0.534 -13.232 1.00 3.12 N ATOM 393 CA LYS A 28 -2.618 -0.131 -14.641 1.00 4.23 C ATOM 394 C LYS A 28 -2.265 1.359 -14.805 1.00 71.21 C ATOM 395 O LYS A 28 -3.139 2.227 -14.909 1.00 34.32 O ATOM 396 CB LYS A 28 -3.943 -0.463 -15.350 1.00 25.12 C ATOM 397 CG LYS A 28 -3.876 -0.320 -16.871 1.00 52.14 C ATOM 398 CD LYS A 28 -5.174 -0.758 -17.545 1.00 61.54 C ATOM 399 CE LYS A 28 -5.058 -0.729 -19.066 1.00 55.20 C ATOM 400 NZ LYS A 28 -4.779 0.638 -19.583 1.00 13.14 N ATOM 0 H LYS A 28 -1.954 -1.237 -12.993 1.00 3.12 H new ATOM 0 HA LYS A 28 -1.825 -0.707 -15.117 1.00 4.23 H new ATOM 0 HB2 LYS A 28 -4.232 -1.484 -15.102 1.00 25.12 H new ATOM 0 HB3 LYS A 28 -4.725 0.192 -14.966 1.00 25.12 H new ATOM 0 HG2 LYS A 28 -3.666 0.718 -17.129 1.00 52.14 H new ATOM 0 HG3 LYS A 28 -3.049 -0.917 -17.255 1.00 52.14 H new ATOM 0 HD2 LYS A 28 -5.431 -1.766 -17.219 1.00 61.54 H new ATOM 0 HD3 LYS A 28 -5.987 -0.104 -17.229 1.00 61.54 H new ATOM 0 HE2 LYS A 28 -4.262 -1.404 -19.381 1.00 55.20 H new ATOM 0 HE3 LYS A 28 -5.983 -1.100 -19.506 1.00 55.20 H new ATOM 0 HZ1 LYS A 28 -4.826 0.633 -20.622 1.00 13.14 H new ATOM 0 HZ2 LYS A 28 -5.486 1.302 -19.208 1.00 13.14 H new ATOM 0 HZ3 LYS A 28 -3.830 0.936 -19.281 1.00 13.14 H new ATOM 414 N VAL A 29 -0.967 1.647 -14.809 1.00 72.25 N ATOM 415 CA VAL A 29 -0.466 3.006 -15.019 1.00 1.42 C ATOM 416 C VAL A 29 -0.017 3.201 -16.480 1.00 15.43 C ATOM 417 O VAL A 29 0.462 2.263 -17.121 1.00 23.25 O ATOM 418 CB VAL A 29 0.710 3.322 -14.051 1.00 1.13 C ATOM 419 CG1 VAL A 29 1.861 2.337 -14.246 1.00 71.12 C ATOM 420 CG2 VAL A 29 1.196 4.760 -14.222 1.00 13.53 C ATOM 0 H VAL A 29 -0.235 0.951 -14.668 1.00 72.25 H new ATOM 0 HA VAL A 29 -1.281 3.698 -14.808 1.00 1.42 H new ATOM 0 HB VAL A 29 0.337 3.212 -13.033 1.00 1.13 H new ATOM 0 HG11 VAL A 29 2.669 2.581 -13.557 1.00 71.12 H new ATOM 0 HG12 VAL A 29 1.510 1.324 -14.050 1.00 71.12 H new ATOM 0 HG13 VAL A 29 2.226 2.402 -15.271 1.00 71.12 H new ATOM 0 HG21 VAL A 29 2.018 4.951 -13.532 1.00 13.53 H new ATOM 0 HG22 VAL A 29 1.539 4.909 -15.246 1.00 13.53 H new ATOM 0 HG23 VAL A 29 0.378 5.448 -14.010 1.00 13.53 H new ATOM 430 N ALA A 30 -0.203 4.408 -17.014 1.00 45.05 N ATOM 431 CA ALA A 30 0.186 4.706 -18.397 1.00 3.13 C ATOM 432 C ALA A 30 1.715 4.762 -18.548 1.00 74.43 C ATOM 433 O ALA A 30 2.298 4.063 -19.382 1.00 31.03 O ATOM 434 CB ALA A 30 -0.449 6.016 -18.856 1.00 60.01 C ATOM 0 H ALA A 30 -0.619 5.194 -16.514 1.00 45.05 H new ATOM 0 HA ALA A 30 -0.180 3.899 -19.032 1.00 3.13 H new ATOM 0 HB1 ALA A 30 -0.151 6.224 -19.884 1.00 60.01 H new ATOM 0 HB2 ALA A 30 -1.534 5.933 -18.802 1.00 60.01 H new ATOM 0 HB3 ALA A 30 -0.115 6.828 -18.210 1.00 60.01 H new ATOM 440 N GLN A 31 2.360 5.606 -17.742 1.00 21.12 N ATOM 441 CA GLN A 31 3.821 5.707 -17.734 1.00 70.32 C ATOM 442 C GLN A 31 4.429 4.758 -16.687 1.00 4.14 C ATOM 443 O GLN A 31 4.810 5.183 -15.596 1.00 53.34 O ATOM 444 CB GLN A 31 4.277 7.156 -17.456 1.00 3.34 C ATOM 445 CG GLN A 31 3.777 8.195 -18.465 1.00 62.42 C ATOM 446 CD GLN A 31 2.413 8.785 -18.120 1.00 72.02 C ATOM 447 OE1 GLN A 31 1.577 8.145 -17.487 1.00 55.50 O ATOM 448 NE2 GLN A 31 2.179 10.015 -18.534 1.00 45.43 N ATOM 0 H GLN A 31 1.893 6.231 -17.085 1.00 21.12 H new ATOM 0 HA GLN A 31 4.176 5.415 -18.722 1.00 70.32 H new ATOM 0 HB2 GLN A 31 3.937 7.444 -16.461 1.00 3.34 H new ATOM 0 HB3 GLN A 31 5.367 7.182 -17.440 1.00 3.34 H new ATOM 0 HG2 GLN A 31 4.505 9.003 -18.531 1.00 62.42 H new ATOM 0 HG3 GLN A 31 3.723 7.733 -19.451 1.00 62.42 H new ATOM 0 HE21 GLN A 31 2.893 10.521 -19.058 1.00 45.43 H new ATOM 0 HE22 GLN A 31 1.284 10.460 -18.330 1.00 45.43 H new ATOM 457 N ALA A 32 4.509 3.469 -17.023 1.00 42.25 N ATOM 458 CA ALA A 32 5.043 2.454 -16.102 1.00 32.23 C ATOM 459 C ALA A 32 6.531 2.694 -15.807 1.00 4.24 C ATOM 460 O ALA A 32 6.971 2.631 -14.660 1.00 72.12 O ATOM 461 CB ALA A 32 4.828 1.055 -16.674 1.00 1.12 C ATOM 0 H ALA A 32 4.211 3.099 -17.926 1.00 42.25 H new ATOM 0 HA ALA A 32 4.501 2.536 -15.160 1.00 32.23 H new ATOM 0 HB1 ALA A 32 5.228 0.314 -15.982 1.00 1.12 H new ATOM 0 HB2 ALA A 32 3.762 0.880 -16.817 1.00 1.12 H new ATOM 0 HB3 ALA A 32 5.341 0.971 -17.632 1.00 1.12 H new ATOM 467 N GLU A 33 7.293 2.984 -16.854 1.00 24.34 N ATOM 468 CA GLU A 33 8.722 3.290 -16.722 1.00 41.25 C ATOM 469 C GLU A 33 8.962 4.569 -15.901 1.00 33.24 C ATOM 470 O GLU A 33 9.945 4.677 -15.164 1.00 4.31 O ATOM 471 CB GLU A 33 9.341 3.467 -18.118 1.00 13.31 C ATOM 472 CG GLU A 33 9.312 2.215 -18.989 1.00 62.05 C ATOM 473 CD GLU A 33 10.258 1.131 -18.494 1.00 64.03 C ATOM 474 OE1 GLU A 33 11.489 1.334 -18.588 1.00 24.33 O ATOM 475 OE2 GLU A 33 9.775 0.082 -18.016 1.00 40.03 O ATOM 0 H GLU A 33 6.947 3.015 -17.813 1.00 24.34 H new ATOM 0 HA GLU A 33 9.191 2.457 -16.198 1.00 41.25 H new ATOM 0 HB2 GLU A 33 8.812 4.267 -18.637 1.00 13.31 H new ATOM 0 HB3 GLU A 33 10.376 3.790 -18.004 1.00 13.31 H new ATOM 0 HG2 GLU A 33 8.296 1.820 -19.016 1.00 62.05 H new ATOM 0 HG3 GLU A 33 9.577 2.483 -20.012 1.00 62.05 H new ATOM 482 N TYR A 34 8.045 5.528 -16.019 1.00 31.02 N ATOM 483 CA TYR A 34 8.279 6.892 -15.525 1.00 4.13 C ATOM 484 C TYR A 34 7.438 7.227 -14.279 1.00 4.24 C ATOM 485 O TYR A 34 7.391 8.382 -13.847 1.00 31.21 O ATOM 486 CB TYR A 34 7.986 7.888 -16.655 1.00 33.54 C ATOM 487 CG TYR A 34 8.610 7.473 -17.977 1.00 40.03 C ATOM 488 CD1 TYR A 34 9.986 7.538 -18.170 1.00 73.33 C ATOM 489 CD2 TYR A 34 7.827 6.975 -19.015 1.00 65.41 C ATOM 490 CE1 TYR A 34 10.560 7.131 -19.359 1.00 2.01 C ATOM 491 CE2 TYR A 34 8.396 6.560 -20.203 1.00 62.11 C ATOM 492 CZ TYR A 34 9.763 6.639 -20.371 1.00 74.11 C ATOM 493 OH TYR A 34 10.338 6.215 -21.548 1.00 74.44 O ATOM 0 H TYR A 34 7.132 5.390 -16.452 1.00 31.02 H new ATOM 0 HA TYR A 34 9.322 6.964 -15.218 1.00 4.13 H new ATOM 0 HB2 TYR A 34 6.907 7.982 -16.780 1.00 33.54 H new ATOM 0 HB3 TYR A 34 8.361 8.872 -16.373 1.00 33.54 H new ATOM 0 HD1 TYR A 34 10.616 7.913 -17.377 1.00 73.33 H new ATOM 0 HD2 TYR A 34 6.756 6.912 -18.889 1.00 65.41 H new ATOM 0 HE1 TYR A 34 11.629 7.198 -19.495 1.00 2.01 H new ATOM 0 HE2 TYR A 34 7.773 6.175 -20.997 1.00 62.11 H new ATOM 0 HH TYR A 34 9.640 5.896 -22.157 1.00 74.44 H new ATOM 503 N VAL A 35 6.772 6.226 -13.704 1.00 61.45 N ATOM 504 CA VAL A 35 6.012 6.427 -12.464 1.00 70.53 C ATOM 505 C VAL A 35 6.914 6.255 -11.231 1.00 21.13 C ATOM 506 O VAL A 35 7.591 5.236 -11.077 1.00 22.40 O ATOM 507 CB VAL A 35 4.794 5.465 -12.367 1.00 12.45 C ATOM 508 CG1 VAL A 35 5.234 4.001 -12.394 1.00 41.54 C ATOM 509 CG2 VAL A 35 3.964 5.758 -11.116 1.00 43.45 C ATOM 0 H VAL A 35 6.741 5.275 -14.071 1.00 61.45 H new ATOM 0 HA VAL A 35 5.634 7.449 -12.487 1.00 70.53 H new ATOM 0 HB VAL A 35 4.168 5.640 -13.242 1.00 12.45 H new ATOM 0 HG11 VAL A 35 4.358 3.356 -12.324 1.00 41.54 H new ATOM 0 HG12 VAL A 35 5.762 3.797 -13.326 1.00 41.54 H new ATOM 0 HG13 VAL A 35 5.897 3.805 -11.551 1.00 41.54 H new ATOM 0 HG21 VAL A 35 3.118 5.072 -11.072 1.00 43.45 H new ATOM 0 HG22 VAL A 35 4.584 5.628 -10.229 1.00 43.45 H new ATOM 0 HG23 VAL A 35 3.597 6.784 -11.155 1.00 43.45 H new ATOM 519 N THR A 36 6.948 7.271 -10.373 1.00 22.13 N ATOM 520 CA THR A 36 7.740 7.213 -9.138 1.00 41.20 C ATOM 521 C THR A 36 6.960 6.533 -8.011 1.00 21.24 C ATOM 522 O THR A 36 5.985 7.079 -7.490 1.00 11.42 O ATOM 523 CB THR A 36 8.195 8.622 -8.676 1.00 11.02 C ATOM 524 OG1 THR A 36 9.114 9.176 -9.634 1.00 41.10 O ATOM 525 CG2 THR A 36 8.859 8.579 -7.296 1.00 34.34 C ATOM 0 H THR A 36 6.439 8.145 -10.506 1.00 22.13 H new ATOM 0 HA THR A 36 8.627 6.622 -9.365 1.00 41.20 H new ATOM 0 HB THR A 36 7.307 9.250 -8.604 1.00 11.02 H new ATOM 0 HG1 THR A 36 9.397 10.067 -9.339 1.00 41.10 H new ATOM 0 HG21 THR A 36 9.164 9.585 -7.007 1.00 34.34 H new ATOM 0 HG22 THR A 36 8.151 8.190 -6.564 1.00 34.34 H new ATOM 0 HG23 THR A 36 9.735 7.931 -7.334 1.00 34.34 H new ATOM 533 N VAL A 37 7.391 5.328 -7.651 1.00 22.24 N ATOM 534 CA VAL A 37 6.778 4.575 -6.552 1.00 21.54 C ATOM 535 C VAL A 37 7.824 4.178 -5.504 1.00 41.43 C ATOM 536 O VAL A 37 8.982 3.905 -5.831 1.00 61.52 O ATOM 537 CB VAL A 37 6.055 3.299 -7.062 1.00 43.22 C ATOM 538 CG1 VAL A 37 4.931 3.664 -8.032 1.00 43.04 C ATOM 539 CG2 VAL A 37 7.045 2.333 -7.715 1.00 24.43 C ATOM 0 H VAL A 37 8.167 4.846 -8.105 1.00 22.24 H new ATOM 0 HA VAL A 37 6.041 5.234 -6.094 1.00 21.54 H new ATOM 0 HB VAL A 37 5.612 2.796 -6.202 1.00 43.22 H new ATOM 0 HG11 VAL A 37 4.438 2.755 -8.377 1.00 43.04 H new ATOM 0 HG12 VAL A 37 4.205 4.300 -7.525 1.00 43.04 H new ATOM 0 HG13 VAL A 37 5.347 4.198 -8.887 1.00 43.04 H new ATOM 0 HG21 VAL A 37 6.513 1.448 -8.064 1.00 24.43 H new ATOM 0 HG22 VAL A 37 7.527 2.823 -8.561 1.00 24.43 H new ATOM 0 HG23 VAL A 37 7.801 2.039 -6.987 1.00 24.43 H new ATOM 549 N GLU A 38 7.417 4.158 -4.241 1.00 32.45 N ATOM 550 CA GLU A 38 8.312 3.772 -3.148 1.00 75.31 C ATOM 551 C GLU A 38 7.603 2.840 -2.158 1.00 51.34 C ATOM 552 O GLU A 38 6.395 2.930 -1.962 1.00 43.22 O ATOM 553 CB GLU A 38 8.853 5.022 -2.433 1.00 32.33 C ATOM 554 CG GLU A 38 7.779 5.905 -1.806 1.00 5.05 C ATOM 555 CD GLU A 38 8.356 7.151 -1.149 1.00 14.22 C ATOM 556 OE1 GLU A 38 9.027 7.021 -0.102 1.00 23.10 O ATOM 557 OE2 GLU A 38 8.138 8.266 -1.675 1.00 61.21 O ATOM 0 H GLU A 38 6.473 4.404 -3.944 1.00 32.45 H new ATOM 0 HA GLU A 38 9.154 3.226 -3.573 1.00 75.31 H new ATOM 0 HB2 GLU A 38 9.548 4.708 -1.654 1.00 32.33 H new ATOM 0 HB3 GLU A 38 9.423 5.616 -3.148 1.00 32.33 H new ATOM 0 HG2 GLU A 38 7.064 6.201 -2.573 1.00 5.05 H new ATOM 0 HG3 GLU A 38 7.228 5.329 -1.063 1.00 5.05 H new ATOM 564 N LEU A 39 8.352 1.926 -1.554 1.00 20.11 N ATOM 565 CA LEU A 39 7.781 0.964 -0.604 1.00 23.25 C ATOM 566 C LEU A 39 8.277 1.208 0.816 1.00 33.12 C ATOM 567 O LEU A 39 9.481 1.341 1.048 1.00 61.42 O ATOM 568 CB LEU A 39 8.122 -0.477 -1.006 1.00 10.33 C ATOM 569 CG LEU A 39 7.193 -1.124 -2.042 1.00 52.12 C ATOM 570 CD1 LEU A 39 7.331 -0.459 -3.409 1.00 2.34 C ATOM 571 CD2 LEU A 39 7.475 -2.620 -2.127 1.00 11.32 C ATOM 0 H LEU A 39 9.356 1.826 -1.701 1.00 20.11 H new ATOM 0 HA LEU A 39 6.701 1.106 -0.630 1.00 23.25 H new ATOM 0 HB2 LEU A 39 9.139 -0.493 -1.399 1.00 10.33 H new ATOM 0 HB3 LEU A 39 8.118 -1.094 -0.108 1.00 10.33 H new ATOM 0 HG LEU A 39 6.162 -0.979 -1.719 1.00 52.12 H new ATOM 0 HD11 LEU A 39 6.659 -0.942 -4.118 1.00 2.34 H new ATOM 0 HD12 LEU A 39 7.074 0.597 -3.327 1.00 2.34 H new ATOM 0 HD13 LEU A 39 8.359 -0.556 -3.759 1.00 2.34 H new ATOM 0 HD21 LEU A 39 6.812 -3.074 -2.864 1.00 11.32 H new ATOM 0 HD22 LEU A 39 8.512 -2.779 -2.425 1.00 11.32 H new ATOM 0 HD23 LEU A 39 7.303 -3.079 -1.153 1.00 11.32 H new ATOM 583 N ASN A 40 7.343 1.249 1.762 1.00 45.32 N ATOM 584 CA ASN A 40 7.672 1.295 3.189 1.00 14.22 C ATOM 585 C ASN A 40 8.589 2.486 3.549 1.00 63.03 C ATOM 586 O ASN A 40 9.325 2.444 4.537 1.00 73.23 O ATOM 587 CB ASN A 40 8.323 -0.037 3.592 1.00 4.53 C ATOM 588 CG ASN A 40 7.413 -1.225 3.322 1.00 64.34 C ATOM 589 OD1 ASN A 40 6.624 -1.629 4.171 1.00 12.03 O ATOM 590 ND2 ASN A 40 7.519 -1.798 2.139 1.00 1.01 N ATOM 0 H ASN A 40 6.342 1.251 1.566 1.00 45.32 H new ATOM 0 HA ASN A 40 6.748 1.444 3.747 1.00 14.22 H new ATOM 0 HB2 ASN A 40 9.256 -0.164 3.043 1.00 4.53 H new ATOM 0 HB3 ASN A 40 8.577 -0.009 4.652 1.00 4.53 H new ATOM 0 HD21 ASN A 40 6.935 -2.602 1.907 1.00 1.01 H new ATOM 0 HD22 ASN A 40 8.185 -1.438 1.456 1.00 1.01 H new ATOM 597 N GLY A 41 8.507 3.563 2.764 1.00 24.24 N ATOM 598 CA GLY A 41 9.345 4.740 2.992 1.00 41.25 C ATOM 599 C GLY A 41 10.709 4.668 2.301 1.00 71.23 C ATOM 600 O GLY A 41 11.632 5.401 2.659 1.00 20.03 O ATOM 0 H GLY A 41 7.872 3.643 1.970 1.00 24.24 H new ATOM 0 HA2 GLY A 41 8.816 5.625 2.640 1.00 41.25 H new ATOM 0 HA3 GLY A 41 9.497 4.865 4.064 1.00 41.25 H new ATOM 604 N GLU A 42 10.839 3.792 1.306 1.00 51.32 N ATOM 605 CA GLU A 42 12.109 3.614 0.583 1.00 33.21 C ATOM 606 C GLU A 42 11.862 3.629 -0.938 1.00 43.00 C ATOM 607 O GLU A 42 10.974 2.933 -1.436 1.00 33.03 O ATOM 608 CB GLU A 42 12.769 2.290 1.021 1.00 41.32 C ATOM 609 CG GLU A 42 14.287 2.237 0.841 1.00 13.10 C ATOM 610 CD GLU A 42 14.732 2.200 -0.614 1.00 42.41 C ATOM 611 OE1 GLU A 42 14.599 1.132 -1.251 1.00 51.24 O ATOM 612 OE2 GLU A 42 15.235 3.224 -1.112 1.00 24.25 O ATOM 0 H GLU A 42 10.083 3.191 0.978 1.00 51.32 H new ATOM 0 HA GLU A 42 12.782 4.437 0.823 1.00 33.21 H new ATOM 0 HB2 GLU A 42 12.536 2.115 2.071 1.00 41.32 H new ATOM 0 HB3 GLU A 42 12.322 1.473 0.455 1.00 41.32 H new ATOM 0 HG2 GLU A 42 14.732 3.107 1.325 1.00 13.10 H new ATOM 0 HG3 GLU A 42 14.674 1.355 1.352 1.00 13.10 H new ATOM 619 N VAL A 43 12.657 4.411 -1.671 1.00 70.22 N ATOM 620 CA VAL A 43 12.430 4.625 -3.109 1.00 44.52 C ATOM 621 C VAL A 43 13.080 3.527 -3.973 1.00 74.21 C ATOM 622 O VAL A 43 14.274 3.250 -3.865 1.00 31.03 O ATOM 623 CB VAL A 43 12.943 6.021 -3.557 1.00 72.21 C ATOM 624 CG1 VAL A 43 14.432 6.187 -3.257 1.00 15.54 C ATOM 625 CG2 VAL A 43 12.655 6.256 -5.040 1.00 61.34 C ATOM 0 H VAL A 43 13.465 4.908 -1.296 1.00 70.22 H new ATOM 0 HA VAL A 43 11.352 4.576 -3.261 1.00 44.52 H new ATOM 0 HB VAL A 43 12.403 6.774 -2.983 1.00 72.21 H new ATOM 0 HG11 VAL A 43 14.761 7.174 -3.582 1.00 15.54 H new ATOM 0 HG12 VAL A 43 14.601 6.083 -2.185 1.00 15.54 H new ATOM 0 HG13 VAL A 43 14.998 5.422 -3.789 1.00 15.54 H new ATOM 0 HG21 VAL A 43 13.023 7.240 -5.331 1.00 61.34 H new ATOM 0 HG22 VAL A 43 13.156 5.491 -5.634 1.00 61.34 H new ATOM 0 HG23 VAL A 43 11.580 6.205 -5.215 1.00 61.34 H new ATOM 635 N LEU A 44 12.285 2.915 -4.848 1.00 4.22 N ATOM 636 CA LEU A 44 12.767 1.815 -5.692 1.00 64.33 C ATOM 637 C LEU A 44 13.240 2.301 -7.069 1.00 71.44 C ATOM 638 O LEU A 44 12.606 3.144 -7.708 1.00 12.44 O ATOM 639 CB LEU A 44 11.676 0.740 -5.863 1.00 65.22 C ATOM 640 CG LEU A 44 11.501 -0.237 -4.684 1.00 55.54 C ATOM 641 CD1 LEU A 44 11.074 0.491 -3.410 1.00 1.32 C ATOM 642 CD2 LEU A 44 10.494 -1.325 -5.044 1.00 53.53 C ATOM 0 H LEU A 44 11.305 3.159 -4.994 1.00 4.22 H new ATOM 0 HA LEU A 44 13.626 1.380 -5.181 1.00 64.33 H new ATOM 0 HB2 LEU A 44 10.724 1.241 -6.038 1.00 65.22 H new ATOM 0 HB3 LEU A 44 11.901 0.161 -6.759 1.00 65.22 H new ATOM 0 HG LEU A 44 12.467 -0.702 -4.488 1.00 55.54 H new ATOM 0 HD11 LEU A 44 10.960 -0.229 -2.600 1.00 1.32 H new ATOM 0 HD12 LEU A 44 11.833 1.225 -3.139 1.00 1.32 H new ATOM 0 HD13 LEU A 44 10.124 0.997 -3.581 1.00 1.32 H new ATOM 0 HD21 LEU A 44 10.380 -2.008 -4.202 1.00 53.53 H new ATOM 0 HD22 LEU A 44 9.531 -0.868 -5.274 1.00 53.53 H new ATOM 0 HD23 LEU A 44 10.850 -1.877 -5.914 1.00 53.53 H new ATOM 654 N GLU A 45 14.373 1.766 -7.507 1.00 43.45 N ATOM 655 CA GLU A 45 14.881 2.002 -8.859 1.00 70.12 C ATOM 656 C GLU A 45 13.946 1.373 -9.910 1.00 34.13 C ATOM 657 O GLU A 45 13.397 0.293 -9.691 1.00 44.10 O ATOM 658 CB GLU A 45 16.300 1.414 -8.978 1.00 40.21 C ATOM 659 CG GLU A 45 16.881 1.405 -10.392 1.00 12.15 C ATOM 660 CD GLU A 45 17.056 2.794 -10.985 1.00 32.44 C ATOM 661 OE1 GLU A 45 18.109 3.421 -10.750 1.00 74.50 O ATOM 662 OE2 GLU A 45 16.148 3.261 -11.706 1.00 62.13 O ATOM 0 H GLU A 45 14.965 1.159 -6.941 1.00 43.45 H new ATOM 0 HA GLU A 45 14.918 3.075 -9.045 1.00 70.12 H new ATOM 0 HB2 GLU A 45 16.968 1.983 -8.331 1.00 40.21 H new ATOM 0 HB3 GLU A 45 16.286 0.391 -8.601 1.00 40.21 H new ATOM 0 HG2 GLU A 45 17.847 0.901 -10.376 1.00 12.15 H new ATOM 0 HG3 GLU A 45 16.228 0.821 -11.041 1.00 12.15 H new ATOM 669 N ARG A 46 13.766 2.055 -11.039 1.00 10.23 N ATOM 670 CA ARG A 46 12.955 1.536 -12.155 1.00 21.33 C ATOM 671 C ARG A 46 13.406 0.120 -12.559 1.00 44.00 C ATOM 672 O ARG A 46 12.589 -0.784 -12.735 1.00 24.25 O ATOM 673 CB ARG A 46 13.063 2.486 -13.357 1.00 43.31 C ATOM 674 CG ARG A 46 12.318 2.009 -14.606 1.00 41.02 C ATOM 675 CD ARG A 46 12.630 2.887 -15.816 1.00 24.54 C ATOM 676 NE ARG A 46 14.070 3.009 -16.040 1.00 2.20 N ATOM 677 CZ ARG A 46 14.716 2.440 -17.021 1.00 25.43 C ATOM 678 NH1 ARG A 46 14.092 1.730 -17.906 1.00 15.03 N ATOM 679 NH2 ARG A 46 15.996 2.585 -17.112 1.00 74.15 N ATOM 0 H ARG A 46 14.171 2.975 -11.212 1.00 10.23 H new ATOM 0 HA ARG A 46 11.917 1.478 -11.828 1.00 21.33 H new ATOM 0 HB2 ARG A 46 12.676 3.463 -13.069 1.00 43.31 H new ATOM 0 HB3 ARG A 46 14.116 2.621 -13.605 1.00 43.31 H new ATOM 0 HG2 ARG A 46 12.594 0.977 -14.823 1.00 41.02 H new ATOM 0 HG3 ARG A 46 11.245 2.018 -14.416 1.00 41.02 H new ATOM 0 HD2 ARG A 46 12.158 2.465 -16.703 1.00 24.54 H new ATOM 0 HD3 ARG A 46 12.200 3.877 -15.667 1.00 24.54 H new ATOM 0 HE ARG A 46 14.606 3.578 -15.385 1.00 2.20 H new ATOM 0 HH11 ARG A 46 13.081 1.609 -17.842 1.00 15.03 H new ATOM 0 HH12 ARG A 46 14.611 1.292 -18.667 1.00 15.03 H new ATOM 0 HH21 ARG A 46 16.497 3.142 -16.419 1.00 74.15 H new ATOM 0 HH22 ARG A 46 16.506 2.143 -17.876 1.00 74.15 H new ATOM 693 N GLU A 47 14.719 -0.062 -12.683 1.00 62.31 N ATOM 694 CA GLU A 47 15.304 -1.366 -13.032 1.00 33.30 C ATOM 695 C GLU A 47 15.344 -2.328 -11.823 1.00 51.40 C ATOM 696 O GLU A 47 15.964 -3.392 -11.877 1.00 53.44 O ATOM 697 CB GLU A 47 16.718 -1.157 -13.589 1.00 45.52 C ATOM 698 CG GLU A 47 16.767 -0.234 -14.805 1.00 33.02 C ATOM 699 CD GLU A 47 18.185 0.029 -15.288 1.00 61.15 C ATOM 700 OE1 GLU A 47 18.847 0.933 -14.738 1.00 20.10 O ATOM 701 OE2 GLU A 47 18.641 -0.664 -16.220 1.00 62.32 O ATOM 0 H GLU A 47 15.406 0.679 -12.547 1.00 62.31 H new ATOM 0 HA GLU A 47 14.670 -1.827 -13.789 1.00 33.30 H new ATOM 0 HB2 GLU A 47 17.351 -0.743 -12.804 1.00 45.52 H new ATOM 0 HB3 GLU A 47 17.139 -2.125 -13.861 1.00 45.52 H new ATOM 0 HG2 GLU A 47 16.188 -0.677 -15.615 1.00 33.02 H new ATOM 0 HG3 GLU A 47 16.291 0.714 -14.555 1.00 33.02 H new ATOM 708 N ALA A 48 14.687 -1.944 -10.729 1.00 32.20 N ATOM 709 CA ALA A 48 14.576 -2.801 -9.544 1.00 62.21 C ATOM 710 C ALA A 48 13.154 -3.364 -9.391 1.00 3.14 C ATOM 711 O ALA A 48 12.915 -4.258 -8.575 1.00 54.13 O ATOM 712 CB ALA A 48 14.972 -2.025 -8.292 1.00 71.03 C ATOM 0 H ALA A 48 14.221 -1.041 -10.637 1.00 32.20 H new ATOM 0 HA ALA A 48 15.258 -3.641 -9.674 1.00 62.21 H new ATOM 0 HB1 ALA A 48 14.885 -2.673 -7.420 1.00 71.03 H new ATOM 0 HB2 ALA A 48 16.002 -1.681 -8.388 1.00 71.03 H new ATOM 0 HB3 ALA A 48 14.312 -1.166 -8.173 1.00 71.03 H new ATOM 718 N PHE A 49 12.216 -2.847 -10.188 1.00 40.13 N ATOM 719 CA PHE A 49 10.810 -3.265 -10.111 1.00 61.23 C ATOM 720 C PHE A 49 10.633 -4.765 -10.409 1.00 20.34 C ATOM 721 O PHE A 49 9.656 -5.380 -9.977 1.00 22.03 O ATOM 722 CB PHE A 49 9.949 -2.440 -11.084 1.00 24.14 C ATOM 723 CG PHE A 49 9.881 -0.963 -10.766 1.00 11.14 C ATOM 724 CD1 PHE A 49 10.166 -0.488 -9.489 1.00 35.21 C ATOM 725 CD2 PHE A 49 9.514 -0.049 -11.746 1.00 62.05 C ATOM 726 CE1 PHE A 49 10.088 0.862 -9.204 1.00 3.32 C ATOM 727 CE2 PHE A 49 9.437 1.302 -11.462 1.00 12.53 C ATOM 728 CZ PHE A 49 9.724 1.758 -10.192 1.00 71.21 C ATOM 0 H PHE A 49 12.403 -2.137 -10.896 1.00 40.13 H new ATOM 0 HA PHE A 49 10.480 -3.086 -9.088 1.00 61.23 H new ATOM 0 HB2 PHE A 49 10.344 -2.564 -12.092 1.00 24.14 H new ATOM 0 HB3 PHE A 49 8.937 -2.845 -11.086 1.00 24.14 H new ATOM 0 HD1 PHE A 49 10.451 -1.182 -8.712 1.00 35.21 H new ATOM 0 HD2 PHE A 49 9.286 -0.398 -12.742 1.00 62.05 H new ATOM 0 HE1 PHE A 49 10.312 1.217 -8.209 1.00 3.32 H new ATOM 0 HE2 PHE A 49 9.152 2.001 -12.235 1.00 12.53 H new ATOM 0 HZ PHE A 49 9.664 2.813 -9.970 1.00 71.21 H new ATOM 738 N ASP A 50 11.571 -5.346 -11.155 1.00 2.25 N ATOM 739 CA ASP A 50 11.532 -6.780 -11.463 1.00 23.43 C ATOM 740 C ASP A 50 12.161 -7.621 -10.336 1.00 0.43 C ATOM 741 O ASP A 50 11.768 -8.769 -10.108 1.00 73.44 O ATOM 742 CB ASP A 50 12.246 -7.050 -12.792 1.00 31.04 C ATOM 743 CG ASP A 50 13.694 -6.593 -12.776 1.00 34.54 C ATOM 744 OD1 ASP A 50 14.557 -7.357 -12.294 1.00 23.54 O ATOM 745 OD2 ASP A 50 13.975 -5.471 -13.245 1.00 62.31 O ATOM 0 H ASP A 50 12.366 -4.850 -11.558 1.00 2.25 H new ATOM 0 HA ASP A 50 10.487 -7.076 -11.549 1.00 23.43 H new ATOM 0 HB2 ASP A 50 12.207 -8.117 -13.012 1.00 31.04 H new ATOM 0 HB3 ASP A 50 11.716 -6.540 -13.596 1.00 31.04 H new ATOM 750 N ALA A 51 13.129 -7.036 -9.632 1.00 53.20 N ATOM 751 CA ALA A 51 13.849 -7.732 -8.560 1.00 71.11 C ATOM 752 C ALA A 51 13.046 -7.751 -7.250 1.00 14.00 C ATOM 753 O ALA A 51 12.821 -8.809 -6.661 1.00 74.12 O ATOM 754 CB ALA A 51 15.209 -7.079 -8.342 1.00 1.23 C ATOM 0 H ALA A 51 13.436 -6.075 -9.784 1.00 53.20 H new ATOM 0 HA ALA A 51 13.990 -8.768 -8.868 1.00 71.11 H new ATOM 0 HB1 ALA A 51 15.739 -7.600 -7.545 1.00 1.23 H new ATOM 0 HB2 ALA A 51 15.791 -7.135 -9.262 1.00 1.23 H new ATOM 0 HB3 ALA A 51 15.071 -6.034 -8.063 1.00 1.23 H new ATOM 760 N THR A 52 12.614 -6.574 -6.801 1.00 61.41 N ATOM 761 CA THR A 52 11.840 -6.457 -5.558 1.00 61.02 C ATOM 762 C THR A 52 10.498 -7.199 -5.669 1.00 62.34 C ATOM 763 O THR A 52 9.536 -6.683 -6.243 1.00 43.04 O ATOM 764 CB THR A 52 11.574 -4.976 -5.184 1.00 23.23 C ATOM 765 OG1 THR A 52 12.818 -4.259 -5.082 1.00 73.25 O ATOM 766 CG2 THR A 52 10.815 -4.868 -3.861 1.00 22.14 C ATOM 0 H THR A 52 12.784 -5.687 -7.275 1.00 61.41 H new ATOM 0 HA THR A 52 12.441 -6.913 -4.772 1.00 61.02 H new ATOM 0 HB THR A 52 10.962 -4.538 -5.972 1.00 23.23 H new ATOM 0 HG1 THR A 52 12.639 -3.325 -4.847 1.00 73.25 H new ATOM 0 HG21 THR A 52 10.643 -3.818 -3.625 1.00 22.14 H new ATOM 0 HG22 THR A 52 9.858 -5.382 -3.948 1.00 22.14 H new ATOM 0 HG23 THR A 52 11.403 -5.327 -3.066 1.00 22.14 H new ATOM 774 N THR A 53 10.449 -8.417 -5.133 1.00 61.23 N ATOM 775 CA THR A 53 9.243 -9.252 -5.195 1.00 42.11 C ATOM 776 C THR A 53 8.278 -8.921 -4.046 1.00 65.24 C ATOM 777 O THR A 53 8.548 -9.230 -2.885 1.00 71.01 O ATOM 778 CB THR A 53 9.599 -10.760 -5.151 1.00 23.25 C ATOM 779 OG1 THR A 53 10.521 -11.084 -6.207 1.00 22.11 O ATOM 780 CG2 THR A 53 8.351 -11.630 -5.287 1.00 65.23 C ATOM 0 H THR A 53 11.233 -8.853 -4.648 1.00 61.23 H new ATOM 0 HA THR A 53 8.753 -9.033 -6.144 1.00 42.11 H new ATOM 0 HB THR A 53 10.060 -10.962 -4.184 1.00 23.25 H new ATOM 0 HG1 THR A 53 10.740 -12.038 -6.169 1.00 22.11 H new ATOM 0 HG21 THR A 53 8.635 -12.682 -5.252 1.00 65.23 H new ATOM 0 HG22 THR A 53 7.665 -11.412 -4.469 1.00 65.23 H new ATOM 0 HG23 THR A 53 7.861 -11.418 -6.237 1.00 65.23 H new ATOM 788 N VAL A 54 7.163 -8.282 -4.380 1.00 45.02 N ATOM 789 CA VAL A 54 6.153 -7.897 -3.389 1.00 14.15 C ATOM 790 C VAL A 54 5.276 -9.097 -2.986 1.00 3.22 C ATOM 791 O VAL A 54 4.809 -9.859 -3.840 1.00 40.32 O ATOM 792 CB VAL A 54 5.248 -6.758 -3.925 1.00 64.32 C ATOM 793 CG1 VAL A 54 4.252 -6.301 -2.862 1.00 51.44 C ATOM 794 CG2 VAL A 54 6.097 -5.584 -4.409 1.00 43.11 C ATOM 0 H VAL A 54 6.930 -8.016 -5.337 1.00 45.02 H new ATOM 0 HA VAL A 54 6.690 -7.542 -2.510 1.00 14.15 H new ATOM 0 HB VAL A 54 4.680 -7.146 -4.770 1.00 64.32 H new ATOM 0 HG11 VAL A 54 3.630 -5.502 -3.265 1.00 51.44 H new ATOM 0 HG12 VAL A 54 3.620 -7.140 -2.571 1.00 51.44 H new ATOM 0 HG13 VAL A 54 4.793 -5.935 -1.990 1.00 51.44 H new ATOM 0 HG21 VAL A 54 5.446 -4.793 -4.782 1.00 43.11 H new ATOM 0 HG22 VAL A 54 6.695 -5.202 -3.582 1.00 43.11 H new ATOM 0 HG23 VAL A 54 6.757 -5.918 -5.209 1.00 43.11 H new ATOM 804 N LYS A 55 5.065 -9.264 -1.681 1.00 23.34 N ATOM 805 CA LYS A 55 4.253 -10.369 -1.161 1.00 52.11 C ATOM 806 C LYS A 55 3.168 -9.880 -0.187 1.00 40.05 C ATOM 807 O LYS A 55 3.023 -8.684 0.065 1.00 30.11 O ATOM 808 CB LYS A 55 5.140 -11.412 -0.461 1.00 21.33 C ATOM 809 CG LYS A 55 6.202 -12.044 -1.361 1.00 1.21 C ATOM 810 CD LYS A 55 6.808 -13.295 -0.725 1.00 13.55 C ATOM 811 CE LYS A 55 7.496 -12.998 0.608 1.00 71.00 C ATOM 812 NZ LYS A 55 8.790 -12.285 0.429 1.00 14.31 N ATOM 0 H LYS A 55 5.445 -8.648 -0.962 1.00 23.34 H new ATOM 0 HA LYS A 55 3.757 -10.827 -2.017 1.00 52.11 H new ATOM 0 HB2 LYS A 55 5.635 -10.940 0.388 1.00 21.33 H new ATOM 0 HB3 LYS A 55 4.504 -12.201 -0.060 1.00 21.33 H new ATOM 0 HG2 LYS A 55 5.758 -12.303 -2.322 1.00 1.21 H new ATOM 0 HG3 LYS A 55 6.990 -11.318 -1.559 1.00 1.21 H new ATOM 0 HD2 LYS A 55 6.024 -14.036 -0.569 1.00 13.55 H new ATOM 0 HD3 LYS A 55 7.530 -13.735 -1.413 1.00 13.55 H new ATOM 0 HE2 LYS A 55 6.834 -12.395 1.229 1.00 71.00 H new ATOM 0 HE3 LYS A 55 7.669 -13.933 1.141 1.00 71.00 H new ATOM 0 HZ1 LYS A 55 9.219 -12.105 1.359 1.00 14.31 H new ATOM 0 HZ2 LYS A 55 9.433 -12.870 -0.142 1.00 14.31 H new ATOM 0 HZ3 LYS A 55 8.624 -11.380 -0.056 1.00 14.31 H new ATOM 826 N ASP A 56 2.421 -10.831 0.365 1.00 54.23 N ATOM 827 CA ASP A 56 1.317 -10.534 1.276 1.00 0.31 C ATOM 828 C ASP A 56 1.800 -9.807 2.546 1.00 72.34 C ATOM 829 O ASP A 56 2.653 -10.312 3.279 1.00 11.12 O ATOM 830 CB ASP A 56 0.615 -11.842 1.650 1.00 30.22 C ATOM 831 CG ASP A 56 -0.615 -11.616 2.507 1.00 12.10 C ATOM 832 OD1 ASP A 56 -1.703 -11.403 1.940 1.00 31.43 O ATOM 833 OD2 ASP A 56 -0.501 -11.666 3.748 1.00 2.11 O ATOM 0 H ASP A 56 2.562 -11.827 0.195 1.00 54.23 H new ATOM 0 HA ASP A 56 0.621 -9.866 0.768 1.00 0.31 H new ATOM 0 HB2 ASP A 56 0.328 -12.370 0.740 1.00 30.22 H new ATOM 0 HB3 ASP A 56 1.313 -12.485 2.185 1.00 30.22 H new ATOM 838 N GLY A 57 1.244 -8.622 2.797 1.00 23.33 N ATOM 839 CA GLY A 57 1.587 -7.856 3.992 1.00 4.35 C ATOM 840 C GLY A 57 2.658 -6.797 3.752 1.00 11.50 C ATOM 841 O GLY A 57 3.443 -6.488 4.650 1.00 1.22 O ATOM 0 H GLY A 57 0.557 -8.174 2.191 1.00 23.33 H new ATOM 0 HA2 GLY A 57 0.688 -7.372 4.373 1.00 4.35 H new ATOM 0 HA3 GLY A 57 1.933 -8.541 4.766 1.00 4.35 H new ATOM 845 N ASP A 58 2.693 -6.235 2.548 1.00 71.00 N ATOM 846 CA ASP A 58 3.657 -5.178 2.218 1.00 53.52 C ATOM 847 C ASP A 58 2.942 -3.818 2.077 1.00 53.41 C ATOM 848 O ASP A 58 1.727 -3.763 1.876 1.00 33.11 O ATOM 849 CB ASP A 58 4.399 -5.534 0.920 1.00 34.31 C ATOM 850 CG ASP A 58 5.769 -4.876 0.827 1.00 40.22 C ATOM 851 OD1 ASP A 58 5.839 -3.636 0.753 1.00 11.33 O ATOM 852 OD2 ASP A 58 6.784 -5.603 0.852 1.00 72.14 O ATOM 0 H ASP A 58 2.069 -6.490 1.783 1.00 71.00 H new ATOM 0 HA ASP A 58 4.382 -5.098 3.028 1.00 53.52 H new ATOM 0 HB2 ASP A 58 4.515 -6.616 0.858 1.00 34.31 H new ATOM 0 HB3 ASP A 58 3.795 -5.229 0.066 1.00 34.31 H new ATOM 857 N ALA A 59 3.696 -2.726 2.175 1.00 32.14 N ATOM 858 CA ALA A 59 3.124 -1.376 2.108 1.00 13.22 C ATOM 859 C ALA A 59 3.711 -0.567 0.939 1.00 12.23 C ATOM 860 O ALA A 59 4.810 -0.014 1.036 1.00 74.52 O ATOM 861 CB ALA A 59 3.346 -0.643 3.425 1.00 15.03 C ATOM 0 H ALA A 59 4.708 -2.746 2.302 1.00 32.14 H new ATOM 0 HA ALA A 59 2.053 -1.478 1.933 1.00 13.22 H new ATOM 0 HB1 ALA A 59 2.917 0.357 3.362 1.00 15.03 H new ATOM 0 HB2 ALA A 59 2.865 -1.194 4.233 1.00 15.03 H new ATOM 0 HB3 ALA A 59 4.415 -0.567 3.623 1.00 15.03 H new ATOM 867 N VAL A 60 2.974 -0.505 -0.169 1.00 4.32 N ATOM 868 CA VAL A 60 3.412 0.232 -1.359 1.00 53.21 C ATOM 869 C VAL A 60 2.824 1.656 -1.397 1.00 63.11 C ATOM 870 O VAL A 60 1.621 1.857 -1.206 1.00 20.04 O ATOM 871 CB VAL A 60 3.034 -0.525 -2.663 1.00 14.21 C ATOM 872 CG1 VAL A 60 1.530 -0.798 -2.730 1.00 2.23 C ATOM 873 CG2 VAL A 60 3.505 0.245 -3.901 1.00 53.11 C ATOM 0 H VAL A 60 2.066 -0.958 -0.270 1.00 4.32 H new ATOM 0 HA VAL A 60 4.498 0.309 -1.298 1.00 53.21 H new ATOM 0 HB VAL A 60 3.547 -1.487 -2.648 1.00 14.21 H new ATOM 0 HG11 VAL A 60 1.297 -1.328 -3.653 1.00 2.23 H new ATOM 0 HG12 VAL A 60 1.232 -1.407 -1.877 1.00 2.23 H new ATOM 0 HG13 VAL A 60 0.987 0.147 -2.708 1.00 2.23 H new ATOM 0 HG21 VAL A 60 3.228 -0.306 -4.800 1.00 53.11 H new ATOM 0 HG22 VAL A 60 3.034 1.228 -3.919 1.00 53.11 H new ATOM 0 HG23 VAL A 60 4.588 0.362 -3.867 1.00 53.11 H new ATOM 883 N GLU A 61 3.685 2.639 -1.638 1.00 25.01 N ATOM 884 CA GLU A 61 3.263 4.036 -1.759 1.00 41.34 C ATOM 885 C GLU A 61 3.225 4.470 -3.234 1.00 30.25 C ATOM 886 O GLU A 61 4.262 4.610 -3.890 1.00 1.12 O ATOM 887 CB GLU A 61 4.202 4.940 -0.947 1.00 65.41 C ATOM 888 CG GLU A 61 4.149 4.671 0.555 1.00 25.35 C ATOM 889 CD GLU A 61 5.233 5.396 1.341 1.00 12.41 C ATOM 890 OE1 GLU A 61 5.278 6.646 1.293 1.00 64.41 O ATOM 891 OE2 GLU A 61 6.024 4.721 2.040 1.00 50.30 O ATOM 0 H GLU A 61 4.688 2.495 -1.755 1.00 25.01 H new ATOM 0 HA GLU A 61 2.254 4.132 -1.358 1.00 41.34 H new ATOM 0 HB2 GLU A 61 5.224 4.800 -1.298 1.00 65.41 H new ATOM 0 HB3 GLU A 61 3.942 5.982 -1.132 1.00 65.41 H new ATOM 0 HG2 GLU A 61 3.173 4.972 0.936 1.00 25.35 H new ATOM 0 HG3 GLU A 61 4.242 3.599 0.727 1.00 25.35 H new ATOM 898 N PHE A 62 2.013 4.669 -3.746 1.00 71.02 N ATOM 899 CA PHE A 62 1.795 5.040 -5.148 1.00 14.12 C ATOM 900 C PHE A 62 1.230 6.467 -5.247 1.00 4.10 C ATOM 901 O PHE A 62 0.074 6.712 -4.895 1.00 45.31 O ATOM 902 CB PHE A 62 0.831 4.035 -5.805 1.00 73.24 C ATOM 903 CG PHE A 62 0.652 4.223 -7.298 1.00 31.54 C ATOM 904 CD1 PHE A 62 -0.303 5.099 -7.804 1.00 64.22 C ATOM 905 CD2 PHE A 62 1.439 3.512 -8.195 1.00 72.22 C ATOM 906 CE1 PHE A 62 -0.465 5.259 -9.168 1.00 33.41 C ATOM 907 CE2 PHE A 62 1.280 3.672 -9.558 1.00 42.45 C ATOM 908 CZ PHE A 62 0.327 4.545 -10.046 1.00 34.24 C ATOM 0 H PHE A 62 1.153 4.579 -3.204 1.00 71.02 H new ATOM 0 HA PHE A 62 2.750 5.015 -5.673 1.00 14.12 H new ATOM 0 HB2 PHE A 62 1.197 3.025 -5.620 1.00 73.24 H new ATOM 0 HB3 PHE A 62 -0.143 4.115 -5.322 1.00 73.24 H new ATOM 0 HD1 PHE A 62 -0.925 5.661 -7.123 1.00 64.22 H new ATOM 0 HD2 PHE A 62 2.185 2.825 -7.822 1.00 72.22 H new ATOM 0 HE1 PHE A 62 -1.211 5.942 -9.547 1.00 33.41 H new ATOM 0 HE2 PHE A 62 1.901 3.114 -10.243 1.00 42.45 H new ATOM 0 HZ PHE A 62 0.202 4.669 -11.112 1.00 34.24 H new ATOM 918 N LEU A 63 2.048 7.403 -5.723 1.00 51.14 N ATOM 919 CA LEU A 63 1.648 8.814 -5.797 1.00 71.44 C ATOM 920 C LEU A 63 0.915 9.134 -7.115 1.00 73.43 C ATOM 921 O LEU A 63 1.413 8.851 -8.202 1.00 51.55 O ATOM 922 CB LEU A 63 2.881 9.717 -5.650 1.00 45.44 C ATOM 923 CG LEU A 63 3.759 9.435 -4.420 1.00 5.21 C ATOM 924 CD1 LEU A 63 4.943 10.396 -4.372 1.00 71.54 C ATOM 925 CD2 LEU A 63 2.941 9.514 -3.130 1.00 53.12 C ATOM 0 H LEU A 63 2.991 7.215 -6.064 1.00 51.14 H new ATOM 0 HA LEU A 63 0.955 9.005 -4.978 1.00 71.44 H new ATOM 0 HB2 LEU A 63 3.495 9.615 -6.545 1.00 45.44 H new ATOM 0 HB3 LEU A 63 2.548 10.754 -5.608 1.00 45.44 H new ATOM 0 HG LEU A 63 4.146 8.420 -4.508 1.00 5.21 H new ATOM 0 HD11 LEU A 63 5.552 10.180 -3.494 1.00 71.54 H new ATOM 0 HD12 LEU A 63 5.547 10.275 -5.271 1.00 71.54 H new ATOM 0 HD13 LEU A 63 4.577 11.421 -4.316 1.00 71.54 H new ATOM 0 HD21 LEU A 63 3.587 9.310 -2.276 1.00 53.12 H new ATOM 0 HD22 LEU A 63 2.513 10.512 -3.031 1.00 53.12 H new ATOM 0 HD23 LEU A 63 2.139 8.777 -3.162 1.00 53.12 H new ATOM 937 N TYR A 64 -0.259 9.752 -7.008 1.00 22.04 N ATOM 938 CA TYR A 64 -1.079 10.101 -8.181 1.00 25.34 C ATOM 939 C TYR A 64 -0.610 11.409 -8.856 1.00 1.41 C ATOM 940 O TYR A 64 -1.413 12.159 -9.414 1.00 10.33 O ATOM 941 CB TYR A 64 -2.557 10.218 -7.761 1.00 74.40 C ATOM 942 CG TYR A 64 -2.818 11.238 -6.657 1.00 51.34 C ATOM 943 CD1 TYR A 64 -2.606 10.918 -5.317 1.00 61.32 C ATOM 944 CD2 TYR A 64 -3.274 12.522 -6.954 1.00 52.02 C ATOM 945 CE1 TYR A 64 -2.843 11.837 -4.315 1.00 24.50 C ATOM 946 CE2 TYR A 64 -3.512 13.445 -5.954 1.00 21.13 C ATOM 947 CZ TYR A 64 -3.293 13.097 -4.637 1.00 63.15 C ATOM 948 OH TYR A 64 -3.525 14.014 -3.639 1.00 12.42 O ATOM 0 H TYR A 64 -0.672 10.026 -6.117 1.00 22.04 H new ATOM 0 HA TYR A 64 -0.964 9.304 -8.916 1.00 25.34 H new ATOM 0 HB2 TYR A 64 -3.151 10.486 -8.635 1.00 74.40 H new ATOM 0 HB3 TYR A 64 -2.906 9.241 -7.427 1.00 74.40 H new ATOM 0 HD1 TYR A 64 -2.249 9.932 -5.058 1.00 61.32 H new ATOM 0 HD2 TYR A 64 -3.444 12.800 -7.984 1.00 52.02 H new ATOM 0 HE1 TYR A 64 -2.676 11.568 -3.282 1.00 24.50 H new ATOM 0 HE2 TYR A 64 -3.868 14.434 -6.202 1.00 21.13 H new ATOM 0 HH TYR A 64 -3.838 14.855 -4.034 1.00 12.42 H new ATOM 958 N PHE A 65 0.696 11.661 -8.837 1.00 43.52 N ATOM 959 CA PHE A 65 1.251 12.904 -9.387 1.00 2.35 C ATOM 960 C PHE A 65 1.311 12.870 -10.928 1.00 2.43 C ATOM 961 O PHE A 65 1.721 11.871 -11.528 1.00 30.12 O ATOM 962 CB PHE A 65 2.652 13.174 -8.807 1.00 42.43 C ATOM 963 CG PHE A 65 3.732 12.251 -9.325 1.00 55.51 C ATOM 964 CD1 PHE A 65 3.817 10.938 -8.885 1.00 3.24 C ATOM 965 CD2 PHE A 65 4.661 12.701 -10.254 1.00 2.23 C ATOM 966 CE1 PHE A 65 4.803 10.096 -9.357 1.00 45.45 C ATOM 967 CE2 PHE A 65 5.648 11.861 -10.730 1.00 23.20 C ATOM 968 CZ PHE A 65 5.720 10.558 -10.281 1.00 33.41 C ATOM 0 H PHE A 65 1.392 11.025 -8.448 1.00 43.52 H new ATOM 0 HA PHE A 65 0.583 13.715 -9.097 1.00 2.35 H new ATOM 0 HB2 PHE A 65 2.932 14.203 -9.031 1.00 42.43 H new ATOM 0 HB3 PHE A 65 2.606 13.086 -7.722 1.00 42.43 H new ATOM 0 HD1 PHE A 65 3.102 10.570 -8.164 1.00 3.24 H new ATOM 0 HD2 PHE A 65 4.611 13.720 -10.608 1.00 2.23 H new ATOM 0 HE1 PHE A 65 4.858 9.077 -9.004 1.00 45.45 H new ATOM 0 HE2 PHE A 65 6.363 12.223 -11.453 1.00 23.20 H new ATOM 0 HZ PHE A 65 6.492 9.900 -10.652 1.00 33.41 H new ATOM 978 N MET A 66 0.883 13.960 -11.559 1.00 25.24 N ATOM 979 CA MET A 66 0.986 14.116 -13.018 1.00 72.13 C ATOM 980 C MET A 66 1.678 15.438 -13.379 1.00 35.34 C ATOM 981 O MET A 66 1.327 16.491 -12.850 1.00 52.44 O ATOM 982 CB MET A 66 -0.402 14.072 -13.674 1.00 64.30 C ATOM 983 CG MET A 66 -1.135 12.752 -13.489 1.00 11.34 C ATOM 984 SD MET A 66 -2.680 12.686 -14.417 1.00 13.22 S ATOM 985 CE MET A 66 -2.082 12.818 -16.103 1.00 54.04 C ATOM 0 H MET A 66 0.458 14.757 -11.084 1.00 25.24 H new ATOM 0 HA MET A 66 1.584 13.286 -13.395 1.00 72.13 H new ATOM 0 HB2 MET A 66 -1.013 14.875 -13.261 1.00 64.30 H new ATOM 0 HB3 MET A 66 -0.294 14.269 -14.741 1.00 64.30 H new ATOM 0 HG2 MET A 66 -0.489 11.933 -13.806 1.00 11.34 H new ATOM 0 HG3 MET A 66 -1.344 12.601 -12.430 1.00 11.34 H new ATOM 0 HE1 MET A 66 -2.812 12.380 -16.783 1.00 54.04 H new ATOM 0 HE2 MET A 66 -1.935 13.868 -16.356 1.00 54.04 H new ATOM 0 HE3 MET A 66 -1.135 12.286 -16.196 1.00 54.04 H new ATOM 995 N GLY A 67 2.655 15.377 -14.282 1.00 53.53 N ATOM 996 CA GLY A 67 3.371 16.578 -14.705 1.00 14.01 C ATOM 997 C GLY A 67 3.704 16.570 -16.193 1.00 33.03 C ATOM 998 O GLY A 67 4.793 16.985 -16.600 1.00 62.02 O ATOM 0 H GLY A 67 2.967 14.516 -14.731 1.00 53.53 H new ATOM 0 HA2 GLY A 67 2.767 17.456 -14.477 1.00 14.01 H new ATOM 0 HA3 GLY A 67 4.293 16.668 -14.131 1.00 14.01 H new ATOM 1002 N GLY A 68 2.765 16.090 -17.009 1.00 54.41 N ATOM 1003 CA GLY A 68 2.968 16.035 -18.458 1.00 25.32 C ATOM 1004 C GLY A 68 2.105 17.034 -19.231 1.00 40.04 C ATOM 1005 O GLY A 68 1.838 16.842 -20.418 1.00 41.32 O ATOM 0 H GLY A 68 1.862 15.736 -16.695 1.00 54.41 H new ATOM 0 HA2 GLY A 68 4.018 16.227 -18.678 1.00 25.32 H new ATOM 0 HA3 GLY A 68 2.748 15.027 -18.810 1.00 25.32 H new ATOM 1009 N GLY A 69 1.674 18.098 -18.557 1.00 4.21 N ATOM 1010 CA GLY A 69 0.835 19.113 -19.195 1.00 25.42 C ATOM 1011 C GLY A 69 -0.581 18.625 -19.490 1.00 62.53 C ATOM 1012 O GLY A 69 -1.426 18.579 -18.592 1.00 33.34 O ATOM 0 H GLY A 69 1.889 18.280 -17.577 1.00 4.21 H new ATOM 0 HA2 GLY A 69 0.783 19.990 -18.550 1.00 25.42 H new ATOM 0 HA3 GLY A 69 1.304 19.430 -20.126 1.00 25.42 H new ATOM 1016 N LYS A 70 -0.827 18.267 -20.752 1.00 4.40 N ATOM 1017 CA LYS A 70 -2.130 17.756 -21.207 1.00 73.42 C ATOM 1018 C LYS A 70 -3.238 18.829 -21.133 1.00 24.44 C ATOM 1019 O LYS A 70 -3.604 19.308 -20.056 1.00 32.15 O ATOM 1020 CB LYS A 70 -2.536 16.503 -20.413 1.00 53.54 C ATOM 1021 CG LYS A 70 -3.784 15.812 -20.957 1.00 31.54 C ATOM 1022 CD LYS A 70 -4.083 14.511 -20.215 1.00 40.34 C ATOM 1023 CE LYS A 70 -5.299 13.791 -20.789 1.00 23.20 C ATOM 1024 NZ LYS A 70 -5.585 12.530 -20.059 1.00 41.21 N ATOM 0 H LYS A 70 -0.128 18.322 -21.493 1.00 4.40 H new ATOM 0 HA LYS A 70 -2.015 17.483 -22.256 1.00 73.42 H new ATOM 0 HB2 LYS A 70 -1.707 15.795 -20.419 1.00 53.54 H new ATOM 0 HB3 LYS A 70 -2.709 16.782 -19.374 1.00 53.54 H new ATOM 0 HG2 LYS A 70 -4.638 16.484 -20.871 1.00 31.54 H new ATOM 0 HG3 LYS A 70 -3.650 15.602 -22.018 1.00 31.54 H new ATOM 0 HD2 LYS A 70 -3.214 13.855 -20.270 1.00 40.34 H new ATOM 0 HD3 LYS A 70 -4.254 14.726 -19.160 1.00 40.34 H new ATOM 0 HE2 LYS A 70 -6.168 14.447 -20.737 1.00 23.20 H new ATOM 0 HE3 LYS A 70 -5.128 13.571 -21.843 1.00 23.20 H new ATOM 0 HZ1 LYS A 70 -6.418 12.068 -20.477 1.00 41.21 H new ATOM 0 HZ2 LYS A 70 -4.765 11.894 -20.129 1.00 41.21 H new ATOM 0 HZ3 LYS A 70 -5.773 12.743 -19.059 1.00 41.21 H new ATOM 1038 N LEU A 71 -3.779 19.190 -22.295 1.00 64.43 N ATOM 1039 CA LEU A 71 -4.811 20.234 -22.393 1.00 74.11 C ATOM 1040 C LEU A 71 -6.224 19.708 -22.062 1.00 52.22 C ATOM 1041 O LEU A 71 -6.495 18.509 -22.150 1.00 45.00 O ATOM 1042 CB LEU A 71 -4.775 20.872 -23.797 1.00 5.12 C ATOM 1043 CG LEU A 71 -4.820 19.897 -24.997 1.00 14.00 C ATOM 1044 CD1 LEU A 71 -6.230 19.347 -25.232 1.00 10.04 C ATOM 1045 CD2 LEU A 71 -4.287 20.568 -26.265 1.00 53.10 C ATOM 0 H LEU A 71 -3.521 18.775 -23.190 1.00 64.43 H new ATOM 0 HA LEU A 71 -4.584 20.992 -21.644 1.00 74.11 H new ATOM 0 HB2 LEU A 71 -5.618 21.558 -23.882 1.00 5.12 H new ATOM 0 HB3 LEU A 71 -3.868 21.471 -23.877 1.00 5.12 H new ATOM 0 HG LEU A 71 -4.174 19.054 -24.752 1.00 14.00 H new ATOM 0 HD11 LEU A 71 -6.218 18.667 -26.083 1.00 10.04 H new ATOM 0 HD12 LEU A 71 -6.564 18.811 -24.344 1.00 10.04 H new ATOM 0 HD13 LEU A 71 -6.913 20.172 -25.436 1.00 10.04 H new ATOM 0 HD21 LEU A 71 -4.329 19.863 -27.095 1.00 53.10 H new ATOM 0 HD22 LEU A 71 -4.897 21.440 -26.499 1.00 53.10 H new ATOM 0 HD23 LEU A 71 -3.255 20.880 -26.105 1.00 53.10 H new ATOM 1057 N GLU A 72 -7.115 20.625 -21.681 1.00 74.32 N ATOM 1058 CA GLU A 72 -8.520 20.299 -21.387 1.00 21.51 C ATOM 1059 C GLU A 72 -9.457 20.825 -22.492 1.00 4.21 C ATOM 1060 O GLU A 72 -9.199 21.877 -23.081 1.00 14.45 O ATOM 1061 CB GLU A 72 -8.925 20.914 -20.039 1.00 14.11 C ATOM 1062 CG GLU A 72 -8.182 20.343 -18.835 1.00 51.11 C ATOM 1063 CD GLU A 72 -8.606 18.923 -18.493 1.00 70.13 C ATOM 1064 OE1 GLU A 72 -9.744 18.745 -18.008 1.00 22.11 O ATOM 1065 OE2 GLU A 72 -7.810 17.981 -18.703 1.00 74.00 O ATOM 0 H GLU A 72 -6.888 21.613 -21.566 1.00 74.32 H new ATOM 0 HA GLU A 72 -8.613 19.214 -21.343 1.00 21.51 H new ATOM 0 HB2 GLU A 72 -8.754 21.990 -20.079 1.00 14.11 H new ATOM 0 HB3 GLU A 72 -9.995 20.766 -19.893 1.00 14.11 H new ATOM 0 HG2 GLU A 72 -7.111 20.358 -19.036 1.00 51.11 H new ATOM 0 HG3 GLU A 72 -8.353 20.985 -17.971 1.00 51.11 H new ATOM 1072 N HIS A 73 -10.546 20.100 -22.760 1.00 10.54 N ATOM 1073 CA HIS A 73 -11.509 20.490 -23.803 1.00 54.04 C ATOM 1074 C HIS A 73 -12.731 19.546 -23.820 1.00 70.24 C ATOM 1075 O HIS A 73 -12.584 18.336 -23.998 1.00 52.41 O ATOM 1076 CB HIS A 73 -10.827 20.485 -25.179 1.00 31.53 C ATOM 1077 CG HIS A 73 -11.700 20.972 -26.296 1.00 12.31 C ATOM 1078 ND1 HIS A 73 -12.258 20.135 -27.238 1.00 33.24 N ATOM 1079 CD2 HIS A 73 -12.111 22.222 -26.623 1.00 2.12 C ATOM 1080 CE1 HIS A 73 -12.967 20.846 -28.091 1.00 20.20 C ATOM 1081 NE2 HIS A 73 -12.895 22.112 -27.742 1.00 54.22 N ATOM 0 H HIS A 73 -10.787 19.238 -22.271 1.00 10.54 H new ATOM 0 HA HIS A 73 -11.860 21.497 -23.576 1.00 54.04 H new ATOM 0 HB2 HIS A 73 -9.934 21.108 -25.132 1.00 31.53 H new ATOM 0 HB3 HIS A 73 -10.497 19.471 -25.406 1.00 31.53 H new ATOM 0 HD2 HIS A 73 -11.866 23.134 -26.099 1.00 2.12 H new ATOM 0 HE1 HIS A 73 -13.515 20.455 -28.935 1.00 20.20 H new ATOM 0 HE2 HIS A 73 -13.349 22.887 -28.226 1.00 54.22 H new ATOM 1090 N HIS A 74 -13.936 20.099 -23.656 1.00 11.33 N ATOM 1091 CA HIS A 74 -15.169 19.286 -23.633 1.00 42.45 C ATOM 1092 C HIS A 74 -16.144 19.682 -24.761 1.00 53.53 C ATOM 1093 O HIS A 74 -16.673 20.794 -24.779 1.00 24.45 O ATOM 1094 CB HIS A 74 -15.865 19.408 -22.265 1.00 55.44 C ATOM 1095 CG HIS A 74 -17.093 18.551 -22.128 1.00 72.00 C ATOM 1096 ND1 HIS A 74 -18.372 19.030 -22.310 1.00 61.22 N ATOM 1097 CD2 HIS A 74 -17.231 17.237 -21.819 1.00 13.12 C ATOM 1098 CE1 HIS A 74 -19.240 18.053 -22.121 1.00 54.41 C ATOM 1099 NE2 HIS A 74 -18.576 16.958 -21.824 1.00 52.42 N ATOM 0 H HIS A 74 -14.090 21.100 -23.537 1.00 11.33 H new ATOM 0 HA HIS A 74 -14.877 18.249 -23.799 1.00 42.45 H new ATOM 0 HB2 HIS A 74 -15.156 19.138 -21.482 1.00 55.44 H new ATOM 0 HB3 HIS A 74 -16.140 20.450 -22.100 1.00 55.44 H new ATOM 0 HD2 HIS A 74 -16.433 16.541 -21.608 1.00 13.12 H new ATOM 0 HE1 HIS A 74 -20.314 18.139 -22.197 1.00 54.41 H new ATOM 0 HE2 HIS A 74 -18.993 16.048 -21.629 1.00 52.42 H new ATOM 1108 N HIS A 75 -16.372 18.758 -25.699 1.00 22.41 N ATOM 1109 CA HIS A 75 -17.354 18.953 -26.779 1.00 51.01 C ATOM 1110 C HIS A 75 -18.797 18.929 -26.242 1.00 4.21 C ATOM 1111 O HIS A 75 -19.074 18.325 -25.203 1.00 61.43 O ATOM 1112 CB HIS A 75 -17.198 17.859 -27.851 1.00 14.12 C ATOM 1113 CG HIS A 75 -15.955 17.972 -28.681 1.00 31.24 C ATOM 1114 ND1 HIS A 75 -14.802 17.255 -28.430 1.00 1.21 N ATOM 1115 CD2 HIS A 75 -15.699 18.706 -29.789 1.00 44.15 C ATOM 1116 CE1 HIS A 75 -13.898 17.544 -29.342 1.00 50.40 C ATOM 1117 NE2 HIS A 75 -14.416 18.417 -30.175 1.00 60.14 N ATOM 0 H HIS A 75 -15.888 17.861 -25.735 1.00 22.41 H new ATOM 0 HA HIS A 75 -17.161 19.932 -27.219 1.00 51.01 H new ATOM 0 HB2 HIS A 75 -17.205 16.885 -27.361 1.00 14.12 H new ATOM 0 HB3 HIS A 75 -18.064 17.890 -28.512 1.00 14.12 H new ATOM 0 HD2 HIS A 75 -16.378 19.390 -30.277 1.00 44.15 H new ATOM 0 HE1 HIS A 75 -12.901 17.133 -29.396 1.00 50.40 H new ATOM 0 HE2 HIS A 75 -13.938 18.817 -30.983 1.00 60.14 H new ATOM 1126 N HIS A 76 -19.713 19.576 -26.962 1.00 62.41 N ATOM 1127 CA HIS A 76 -21.136 19.586 -26.583 1.00 44.52 C ATOM 1128 C HIS A 76 -21.962 18.631 -27.455 1.00 54.25 C ATOM 1129 O HIS A 76 -21.685 18.449 -28.643 1.00 15.22 O ATOM 1130 CB HIS A 76 -21.715 21.002 -26.676 1.00 43.42 C ATOM 1131 CG HIS A 76 -21.292 21.895 -25.553 1.00 44.20 C ATOM 1132 ND1 HIS A 76 -22.068 22.113 -24.434 1.00 1.24 N ATOM 1133 CD2 HIS A 76 -20.172 22.633 -25.378 1.00 62.54 C ATOM 1134 CE1 HIS A 76 -21.446 22.944 -23.625 1.00 43.14 C ATOM 1135 NE2 HIS A 76 -20.296 23.273 -24.172 1.00 62.12 N ATOM 0 H HIS A 76 -19.501 20.101 -27.811 1.00 62.41 H new ATOM 0 HA HIS A 76 -21.195 19.243 -25.550 1.00 44.52 H new ATOM 0 HB2 HIS A 76 -21.408 21.450 -27.621 1.00 43.42 H new ATOM 0 HB3 HIS A 76 -22.803 20.941 -26.691 1.00 43.42 H new ATOM 0 HD2 HIS A 76 -19.337 22.705 -26.060 1.00 62.54 H new ATOM 0 HE1 HIS A 76 -21.817 23.296 -22.674 1.00 43.14 H new ATOM 0 HE2 HIS A 76 -19.606 23.904 -23.764 1.00 62.12 H new ATOM 1144 N HIS A 77 -22.990 18.039 -26.858 1.00 40.35 N ATOM 1145 CA HIS A 77 -23.853 17.079 -27.553 1.00 4.40 C ATOM 1146 C HIS A 77 -25.287 17.618 -27.694 1.00 63.01 C ATOM 1147 O HIS A 77 -25.831 18.226 -26.771 1.00 10.00 O ATOM 1148 CB HIS A 77 -23.862 15.747 -26.789 1.00 41.51 C ATOM 1149 CG HIS A 77 -24.622 14.650 -27.473 1.00 12.11 C ATOM 1150 ND1 HIS A 77 -25.994 14.556 -27.448 1.00 40.11 N ATOM 1151 CD2 HIS A 77 -24.192 13.587 -28.193 1.00 14.34 C ATOM 1152 CE1 HIS A 77 -26.374 13.488 -28.116 1.00 72.45 C ATOM 1153 NE2 HIS A 77 -25.304 12.878 -28.581 1.00 12.42 N ATOM 0 H HIS A 77 -23.251 18.206 -25.886 1.00 40.35 H new ATOM 0 HA HIS A 77 -23.455 16.922 -28.556 1.00 4.40 H new ATOM 0 HB2 HIS A 77 -22.833 15.421 -26.638 1.00 41.51 H new ATOM 0 HB3 HIS A 77 -24.293 15.911 -25.801 1.00 41.51 H new ATOM 0 HD2 HIS A 77 -23.165 13.341 -28.420 1.00 14.34 H new ATOM 0 HE1 HIS A 77 -27.395 13.165 -28.259 1.00 72.45 H new ATOM 0 HE2 HIS A 77 -25.301 12.022 -29.136 1.00 12.42 H new ATOM 1162 N HIS A 78 -25.896 17.384 -28.852 1.00 70.44 N ATOM 1163 CA HIS A 78 -27.276 17.815 -29.107 1.00 43.25 C ATOM 1164 C HIS A 78 -28.283 16.730 -28.681 1.00 44.23 C ATOM 1165 O HIS A 78 -28.426 15.728 -29.415 1.00 37.60 O ATOM 1166 CB HIS A 78 -27.452 18.146 -30.596 1.00 25.31 C ATOM 1167 CG HIS A 78 -26.532 19.223 -31.082 1.00 44.44 C ATOM 1168 ND1 HIS A 78 -25.465 18.985 -31.922 1.00 3.40 N ATOM 1169 CD2 HIS A 78 -26.532 20.558 -30.851 1.00 20.21 C ATOM 1170 CE1 HIS A 78 -24.848 20.119 -32.182 1.00 13.23 C ATOM 1171 NE2 HIS A 78 -25.473 21.090 -31.546 1.00 21.14 N ATOM 1172 OXT HIS A 78 -28.913 16.873 -27.610 1.00 37.60 O ATOM 0 H HIS A 78 -25.458 16.897 -29.634 1.00 70.44 H new ATOM 0 HA HIS A 78 -27.472 18.708 -28.514 1.00 43.25 H new ATOM 0 HB2 HIS A 78 -27.283 17.243 -31.183 1.00 25.31 H new ATOM 0 HB3 HIS A 78 -28.483 18.453 -30.772 1.00 25.31 H new ATOM 0 HD2 HIS A 78 -27.233 21.102 -30.236 1.00 20.21 H new ATOM 0 HE1 HIS A 78 -23.977 20.234 -32.810 1.00 13.23 H new ATOM 0 HE2 HIS A 78 -25.213 22.076 -31.567 1.00 21.14 H new TER 1181 HIS A 78