USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 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 37 ASN : amide:sc= 0.616 K(o=-0.97,f=-2) USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -1.59! F(o=-3.2,f=-0.97!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 13 ASN : amide:sc= 0.181 K(o=0.18,f=-5.6!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.384 USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= 1.26 (180deg=-0.449) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.847 K(o=0.85,f=-5.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.907 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.00967 K(o=0.0097,f=-0.74) USER MOD Single : A 56 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.11) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.312 K(o=0.31,f=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.09! X(o=-1.1!,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -71:sc= 0.13 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.860 -8.922 -5.414 1.00 6.70 N ATOM 2 CA MET A 1 -1.921 -7.943 -5.080 1.00 6.30 C ATOM 3 C MET A 1 -3.284 -8.624 -5.022 1.00 5.83 C ATOM 4 O MET A 1 -3.923 -8.848 -6.052 1.00 6.14 O ATOM 5 CB MET A 1 -1.944 -6.812 -6.110 1.00 6.81 C ATOM 6 CG MET A 1 -1.141 -5.593 -5.694 1.00 7.17 C ATOM 7 SD MET A 1 0.519 -5.596 -6.395 1.00 7.86 S ATOM 8 CE MET A 1 0.664 -3.893 -6.928 1.00 8.54 C ATOM 0 H1 MET A 1 0.060 -8.438 -5.449 1.00 6.70 H new ATOM 0 H2 MET A 1 -0.833 -9.666 -4.688 1.00 6.70 H new ATOM 0 H3 MET A 1 -1.061 -9.350 -6.340 1.00 6.70 H new ATOM 0 HA MET A 1 -1.701 -7.523 -4.098 1.00 6.30 H new ATOM 0 HB2 MET A 1 -1.555 -7.187 -7.057 1.00 6.81 H new ATOM 0 HB3 MET A 1 -2.977 -6.513 -6.286 1.00 6.81 H new ATOM 0 HG2 MET A 1 -1.665 -4.691 -6.010 1.00 7.17 H new ATOM 0 HG3 MET A 1 -1.074 -5.559 -4.607 1.00 7.17 H new ATOM 0 HE1 MET A 1 1.641 -3.737 -7.385 1.00 8.54 H new ATOM 0 HE2 MET A 1 -0.116 -3.672 -7.656 1.00 8.54 H new ATOM 0 HE3 MET A 1 0.555 -3.232 -6.068 1.00 8.54 H new ATOM 20 N GLY A 2 -3.718 -8.960 -3.817 1.00 5.41 N ATOM 21 CA GLY A 2 -5.012 -9.588 -3.639 1.00 5.21 C ATOM 22 C GLY A 2 -5.848 -8.889 -2.589 1.00 4.76 C ATOM 23 O GLY A 2 -6.685 -9.507 -1.936 1.00 5.03 O ATOM 0 H GLY A 2 -3.195 -8.808 -2.955 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -5.548 -9.586 -4.588 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -4.872 -10.631 -3.354 1.00 5.21 H new ATOM 27 N VAL A 3 -5.600 -7.597 -2.420 1.00 4.46 N ATOM 28 CA VAL A 3 -6.335 -6.771 -1.466 1.00 4.34 C ATOM 29 C VAL A 3 -6.363 -5.335 -1.967 1.00 3.47 C ATOM 30 O VAL A 3 -6.048 -4.395 -1.235 1.00 3.74 O ATOM 31 CB VAL A 3 -5.705 -6.800 -0.052 1.00 5.24 C ATOM 32 CG1 VAL A 3 -6.466 -7.755 0.855 1.00 6.05 C ATOM 33 CG2 VAL A 3 -4.227 -7.174 -0.111 1.00 5.84 C ATOM 0 H VAL A 3 -4.884 -7.090 -2.940 1.00 4.46 H new ATOM 0 HA VAL A 3 -7.343 -7.178 -1.388 1.00 4.34 H new ATOM 0 HB VAL A 3 -5.777 -5.796 0.366 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -6.007 -7.761 1.844 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -7.503 -7.430 0.938 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -6.434 -8.760 0.434 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -3.814 -7.186 0.898 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -4.119 -8.162 -0.559 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -3.690 -6.442 -0.714 1.00 5.84 H new ATOM 43 N THR A 4 -6.717 -5.179 -3.230 1.00 2.94 N ATOM 44 CA THR A 4 -6.662 -3.888 -3.887 1.00 2.60 C ATOM 45 C THR A 4 -8.037 -3.232 -3.951 1.00 2.42 C ATOM 46 O THR A 4 -9.050 -3.909 -4.125 1.00 3.09 O ATOM 47 CB THR A 4 -6.107 -4.042 -5.311 1.00 2.97 C ATOM 48 OG1 THR A 4 -5.926 -5.437 -5.614 1.00 3.36 O ATOM 49 CG2 THR A 4 -4.784 -3.312 -5.456 1.00 3.59 C ATOM 0 H THR A 4 -7.048 -5.939 -3.825 1.00 2.94 H new ATOM 0 HA THR A 4 -6.003 -3.249 -3.299 1.00 2.60 H new ATOM 0 HB THR A 4 -6.822 -3.606 -6.009 1.00 2.97 H new ATOM 0 HG1 THR A 4 -5.574 -5.531 -6.524 1.00 3.36 H new ATOM 0 HG21 THR A 4 -4.410 -3.435 -6.472 1.00 3.59 H new ATOM 0 HG22 THR A 4 -4.929 -2.252 -5.248 1.00 3.59 H new ATOM 0 HG23 THR A 4 -4.062 -3.724 -4.751 1.00 3.59 H new ATOM 57 N GLU A 5 -8.062 -1.915 -3.804 1.00 2.01 N ATOM 58 CA GLU A 5 -9.296 -1.156 -3.932 1.00 1.95 C ATOM 59 C GLU A 5 -9.455 -0.670 -5.368 1.00 2.02 C ATOM 60 O GLU A 5 -8.811 0.297 -5.781 1.00 2.45 O ATOM 61 CB GLU A 5 -9.299 0.037 -2.973 1.00 2.25 C ATOM 62 CG GLU A 5 -8.644 -0.251 -1.632 1.00 2.50 C ATOM 63 CD GLU A 5 -9.418 0.331 -0.471 1.00 3.01 C ATOM 64 OE1 GLU A 5 -9.776 1.526 -0.528 1.00 3.44 O ATOM 65 OE2 GLU A 5 -9.669 -0.400 0.512 1.00 3.47 O ATOM 0 H GLU A 5 -7.239 -1.350 -3.595 1.00 2.01 H new ATOM 0 HA GLU A 5 -10.133 -1.806 -3.676 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -8.784 0.873 -3.446 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -10.329 0.352 -2.804 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -8.554 -1.329 -1.500 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -7.633 0.156 -1.631 1.00 2.50 H new ATOM 72 N ALA A 6 -10.295 -1.351 -6.132 1.00 1.93 N ATOM 73 CA ALA A 6 -10.502 -1.010 -7.529 1.00 2.21 C ATOM 74 C ALA A 6 -11.459 0.165 -7.669 1.00 1.87 C ATOM 75 O ALA A 6 -12.554 0.159 -7.107 1.00 2.34 O ATOM 76 CB ALA A 6 -11.027 -2.213 -8.294 1.00 3.01 C ATOM 0 H ALA A 6 -10.846 -2.145 -5.806 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.541 -0.716 -7.952 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -11.177 -1.942 -9.339 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -10.306 -3.028 -8.230 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.975 -2.533 -7.862 1.00 3.01 H new ATOM 82 N GLN A 7 -11.041 1.169 -8.427 1.00 1.57 N ATOM 83 CA GLN A 7 -11.861 2.347 -8.656 1.00 1.65 C ATOM 84 C GLN A 7 -12.878 2.077 -9.757 1.00 1.53 C ATOM 85 O GLN A 7 -13.890 2.767 -9.874 1.00 1.80 O ATOM 86 CB GLN A 7 -10.987 3.544 -9.027 1.00 2.14 C ATOM 87 CG GLN A 7 -11.015 4.653 -7.992 1.00 2.64 C ATOM 88 CD GLN A 7 -11.006 6.033 -8.616 1.00 3.04 C ATOM 89 OE1 GLN A 7 -9.946 6.614 -8.850 1.00 3.51 O ATOM 90 NE2 GLN A 7 -12.185 6.569 -8.884 1.00 3.49 N ATOM 0 H GLN A 7 -10.135 1.190 -8.895 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.395 2.580 -7.735 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -9.959 3.207 -9.160 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.318 3.943 -9.986 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -11.905 4.544 -7.373 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -10.153 4.551 -7.332 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -13.039 6.053 -8.674 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -12.240 7.498 -9.301 1.00 3.49 H new ATOM 99 N TYR A 8 -12.607 1.059 -10.558 1.00 1.48 N ATOM 100 CA TYR A 8 -13.512 0.668 -11.628 1.00 1.47 C ATOM 101 C TYR A 8 -14.502 -0.381 -11.122 1.00 1.56 C ATOM 102 O TYR A 8 -14.592 -1.487 -11.657 1.00 2.27 O ATOM 103 CB TYR A 8 -12.719 0.125 -12.818 1.00 1.61 C ATOM 104 CG TYR A 8 -13.432 0.270 -14.142 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.486 1.494 -14.793 1.00 1.71 C ATOM 106 CD2 TYR A 8 -14.052 -0.819 -14.740 1.00 1.79 C ATOM 107 CE1 TYR A 8 -14.137 1.631 -16.003 1.00 1.89 C ATOM 108 CE2 TYR A 8 -14.705 -0.691 -15.951 1.00 2.00 C ATOM 109 CZ TYR A 8 -14.747 0.535 -16.576 1.00 2.01 C ATOM 110 OH TYR A 8 -15.397 0.666 -17.785 1.00 2.32 O ATOM 0 H TYR A 8 -11.765 0.487 -10.487 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.071 1.545 -11.955 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.762 0.644 -12.872 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.501 -0.929 -12.647 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -13.011 2.354 -14.346 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -14.023 -1.781 -14.251 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -14.168 2.591 -16.498 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -15.180 -1.548 -16.405 1.00 2.00 H new ATOM 0 HH TYR A 8 -15.772 -0.200 -18.051 1.00 2.32 H new ATOM 120 N VAL A 9 -15.242 -0.027 -10.083 1.00 1.35 N ATOM 121 CA VAL A 9 -16.194 -0.945 -9.482 1.00 1.47 C ATOM 122 C VAL A 9 -17.617 -0.637 -9.970 1.00 1.51 C ATOM 123 O VAL A 9 -18.483 -0.173 -9.222 1.00 2.13 O ATOM 124 CB VAL A 9 -16.088 -0.919 -7.932 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.289 0.487 -7.378 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.057 -1.910 -7.293 1.00 2.05 C ATOM 0 H VAL A 9 -15.201 0.890 -9.639 1.00 1.35 H new ATOM 0 HA VAL A 9 -15.951 -1.959 -9.800 1.00 1.47 H new ATOM 0 HB VAL A 9 -15.076 -1.229 -7.671 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.208 0.465 -6.291 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -15.527 1.151 -7.785 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.277 0.852 -7.661 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.958 -1.868 -6.208 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.078 -1.653 -7.575 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.828 -2.918 -7.639 1.00 2.05 H new ATOM 136 N ALA A 10 -17.839 -0.883 -11.253 1.00 1.41 N ATOM 137 CA ALA A 10 -19.142 -0.674 -11.870 1.00 1.50 C ATOM 138 C ALA A 10 -19.413 -1.754 -12.912 1.00 1.34 C ATOM 139 O ALA A 10 -18.757 -1.797 -13.953 1.00 1.73 O ATOM 140 CB ALA A 10 -19.216 0.710 -12.501 1.00 2.09 C ATOM 0 H ALA A 10 -17.126 -1.231 -11.893 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.908 -0.740 -11.097 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -20.196 0.850 -12.957 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -19.062 1.468 -11.734 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -18.443 0.804 -13.264 1.00 2.09 H new ATOM 146 N PRO A 11 -20.364 -2.654 -12.629 1.00 1.24 N ATOM 147 CA PRO A 11 -20.726 -3.750 -13.530 1.00 1.52 C ATOM 148 C PRO A 11 -21.627 -3.289 -14.674 1.00 1.50 C ATOM 149 O PRO A 11 -22.113 -2.155 -14.679 1.00 1.83 O ATOM 150 CB PRO A 11 -21.485 -4.735 -12.624 1.00 1.87 C ATOM 151 CG PRO A 11 -21.421 -4.162 -11.243 1.00 1.88 C ATOM 152 CD PRO A 11 -21.164 -2.693 -11.406 1.00 1.45 C ATOM 0 HA PRO A 11 -19.847 -4.181 -14.009 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.518 -4.849 -12.951 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.030 -5.725 -12.657 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.354 -4.336 -10.707 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.627 -4.633 -10.663 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -22.090 -2.126 -11.507 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.626 -2.277 -10.554 1.00 1.45 H new ATOM 160 N THR A 12 -21.853 -4.172 -15.636 1.00 1.33 N ATOM 161 CA THR A 12 -22.720 -3.864 -16.761 1.00 1.44 C ATOM 162 C THR A 12 -24.073 -4.551 -16.602 1.00 1.40 C ATOM 163 O THR A 12 -25.125 -3.930 -16.761 1.00 1.90 O ATOM 164 CB THR A 12 -22.089 -4.293 -18.100 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.821 -4.931 -17.874 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.897 -3.094 -19.013 1.00 2.04 C ATOM 0 H THR A 12 -21.447 -5.108 -15.659 1.00 1.33 H new ATOM 0 HA THR A 12 -22.857 -2.783 -16.772 1.00 1.44 H new ATOM 0 HB THR A 12 -22.767 -4.998 -18.581 1.00 1.69 H new ATOM 0 HG1 THR A 12 -20.963 -5.796 -17.435 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.450 -3.420 -19.952 1.00 2.04 H new ATOM 0 HG22 THR A 12 -22.863 -2.630 -19.212 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.240 -2.371 -18.530 1.00 2.04 H new ATOM 174 N ASN A 13 -24.039 -5.835 -16.272 1.00 1.11 N ATOM 175 CA ASN A 13 -25.262 -6.613 -16.110 1.00 1.23 C ATOM 176 C ASN A 13 -25.512 -6.921 -14.641 1.00 1.03 C ATOM 177 O ASN A 13 -24.575 -6.982 -13.847 1.00 1.32 O ATOM 178 CB ASN A 13 -25.182 -7.915 -16.918 1.00 1.71 C ATOM 179 CG ASN A 13 -26.551 -8.497 -17.229 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.576 -7.999 -16.765 1.00 2.19 O ATOM 181 ND2 ASN A 13 -26.578 -9.557 -18.019 1.00 2.24 N ATOM 0 H ASN A 13 -23.180 -6.360 -16.111 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.095 -6.019 -16.486 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -24.651 -7.727 -17.851 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.598 -8.648 -16.361 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -27.469 -9.989 -18.262 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -25.708 -9.943 -18.385 1.00 2.24 H new ATOM 188 N ALA A 14 -26.778 -7.128 -14.295 1.00 1.04 N ATOM 189 CA ALA A 14 -27.174 -7.424 -12.923 1.00 1.05 C ATOM 190 C ALA A 14 -26.527 -8.712 -12.427 1.00 0.96 C ATOM 191 O ALA A 14 -26.281 -8.874 -11.233 1.00 0.91 O ATOM 192 CB ALA A 14 -28.686 -7.522 -12.825 1.00 1.42 C ATOM 0 H ALA A 14 -27.555 -7.096 -14.954 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.828 -6.609 -12.287 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.970 -7.743 -11.796 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.132 -6.575 -13.129 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.042 -8.318 -13.479 1.00 1.42 H new ATOM 198 N VAL A 15 -26.256 -9.627 -13.351 1.00 1.05 N ATOM 199 CA VAL A 15 -25.568 -10.870 -13.023 1.00 1.12 C ATOM 200 C VAL A 15 -24.171 -10.575 -12.486 1.00 0.97 C ATOM 201 O VAL A 15 -23.682 -11.246 -11.573 1.00 0.96 O ATOM 202 CB VAL A 15 -25.449 -11.792 -14.257 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.059 -13.202 -13.840 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.748 -11.806 -15.047 1.00 1.99 C ATOM 0 H VAL A 15 -26.503 -9.531 -14.336 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.159 -11.379 -12.261 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.663 -11.397 -14.901 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -24.981 -13.834 -14.724 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.098 -13.177 -13.326 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -25.818 -13.607 -13.171 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.641 -12.462 -15.911 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.556 -12.171 -14.413 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.980 -10.796 -15.384 1.00 1.99 H new ATOM 214 N GLU A 16 -23.546 -9.544 -13.042 1.00 0.95 N ATOM 215 CA GLU A 16 -22.202 -9.162 -12.650 1.00 0.94 C ATOM 216 C GLU A 16 -22.211 -8.504 -11.275 1.00 0.83 C ATOM 217 O GLU A 16 -21.297 -8.707 -10.480 1.00 0.86 O ATOM 218 CB GLU A 16 -21.593 -8.219 -13.688 1.00 1.06 C ATOM 219 CG GLU A 16 -21.317 -8.889 -15.024 1.00 1.37 C ATOM 220 CD GLU A 16 -20.863 -7.912 -16.087 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.441 -6.806 -16.167 1.00 1.53 O ATOM 222 OE2 GLU A 16 -19.917 -8.238 -16.833 1.00 1.93 O ATOM 0 H GLU A 16 -23.954 -8.957 -13.769 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.590 -10.062 -12.596 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.268 -7.378 -13.844 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.662 -7.811 -13.295 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -20.553 -9.655 -14.890 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.220 -9.396 -15.365 1.00 1.37 H new ATOM 229 N SER A 17 -23.251 -7.725 -10.996 1.00 0.83 N ATOM 230 CA SER A 17 -23.407 -7.102 -9.689 1.00 0.89 C ATOM 231 C SER A 17 -23.728 -8.153 -8.630 1.00 0.85 C ATOM 232 O SER A 17 -23.293 -8.049 -7.482 1.00 0.88 O ATOM 233 CB SER A 17 -24.512 -6.047 -9.743 1.00 1.09 C ATOM 234 OG SER A 17 -24.974 -5.870 -11.071 1.00 1.48 O ATOM 0 H SER A 17 -23.997 -7.511 -11.658 1.00 0.83 H new ATOM 0 HA SER A 17 -22.469 -6.618 -9.418 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.340 -6.348 -9.102 1.00 1.09 H new ATOM 0 HB3 SER A 17 -24.137 -5.100 -9.355 1.00 1.09 H new ATOM 0 HG SER A 17 -25.682 -5.192 -11.084 1.00 1.48 H new ATOM 240 N LYS A 18 -24.487 -9.166 -9.025 1.00 0.85 N ATOM 241 CA LYS A 18 -24.849 -10.249 -8.124 1.00 0.92 C ATOM 242 C LYS A 18 -23.622 -11.072 -7.748 1.00 0.84 C ATOM 243 O LYS A 18 -23.414 -11.398 -6.579 1.00 0.85 O ATOM 244 CB LYS A 18 -25.909 -11.144 -8.770 1.00 1.07 C ATOM 245 CG LYS A 18 -27.265 -11.084 -8.083 1.00 1.38 C ATOM 246 CD LYS A 18 -27.659 -9.658 -7.736 1.00 1.76 C ATOM 247 CE LYS A 18 -28.340 -9.590 -6.381 1.00 2.42 C ATOM 248 NZ LYS A 18 -27.706 -8.584 -5.489 1.00 2.96 N ATOM 0 H LYS A 18 -24.865 -9.259 -9.968 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.262 -9.814 -7.214 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.028 -10.855 -9.814 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.554 -12.175 -8.763 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -28.022 -11.522 -8.734 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.239 -11.685 -7.174 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -26.773 -9.024 -7.732 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.328 -9.266 -8.502 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -29.393 -9.342 -6.516 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -28.302 -10.571 -5.906 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -28.416 -8.209 -4.829 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -26.936 -9.032 -4.952 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -27.321 -7.806 -6.062 1.00 2.96 H new ATOM 262 N LEU A 19 -22.806 -11.396 -8.741 1.00 0.82 N ATOM 263 CA LEU A 19 -21.569 -12.124 -8.495 1.00 0.84 C ATOM 264 C LEU A 19 -20.619 -11.276 -7.657 1.00 0.80 C ATOM 265 O LEU A 19 -19.929 -11.786 -6.777 1.00 0.82 O ATOM 266 CB LEU A 19 -20.908 -12.525 -9.816 1.00 0.96 C ATOM 267 CG LEU A 19 -21.270 -13.925 -10.332 1.00 1.16 C ATOM 268 CD1 LEU A 19 -20.143 -14.485 -11.183 1.00 1.73 C ATOM 269 CD2 LEU A 19 -21.579 -14.871 -9.180 1.00 1.81 C ATOM 0 H LEU A 19 -22.977 -11.168 -9.720 1.00 0.82 H new ATOM 0 HA LEU A 19 -21.804 -13.034 -7.943 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.181 -11.794 -10.577 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -19.826 -12.469 -9.694 1.00 0.96 H new ATOM 0 HG LEU A 19 -22.165 -13.835 -10.947 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -20.416 -15.478 -11.541 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -19.969 -13.828 -12.035 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -19.234 -14.552 -10.585 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.832 -15.855 -9.575 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.706 -14.953 -8.533 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -22.421 -14.483 -8.606 1.00 1.81 H new ATOM 281 N ALA A 20 -20.612 -9.973 -7.918 1.00 0.82 N ATOM 282 CA ALA A 20 -19.795 -9.041 -7.155 1.00 0.91 C ATOM 283 C ALA A 20 -20.241 -9.005 -5.700 1.00 0.84 C ATOM 284 O ALA A 20 -19.436 -8.783 -4.804 1.00 0.87 O ATOM 285 CB ALA A 20 -19.859 -7.648 -7.769 1.00 1.08 C ATOM 0 H ALA A 20 -21.166 -9.539 -8.656 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.761 -9.384 -7.188 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -19.242 -6.964 -7.185 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -19.490 -7.685 -8.794 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.891 -7.297 -7.768 1.00 1.08 H new ATOM 291 N GLU A 21 -21.527 -9.231 -5.466 1.00 0.85 N ATOM 292 CA GLU A 21 -22.052 -9.292 -4.109 1.00 0.94 C ATOM 293 C GLU A 21 -21.398 -10.442 -3.348 1.00 0.84 C ATOM 294 O GLU A 21 -20.936 -10.271 -2.224 1.00 0.85 O ATOM 295 CB GLU A 21 -23.575 -9.465 -4.131 1.00 1.13 C ATOM 296 CG GLU A 21 -24.184 -9.717 -2.762 1.00 1.72 C ATOM 297 CD GLU A 21 -25.634 -9.296 -2.689 1.00 2.05 C ATOM 298 OE1 GLU A 21 -26.450 -9.820 -3.476 1.00 2.69 O ATOM 299 OE2 GLU A 21 -25.970 -8.444 -1.841 1.00 2.14 O ATOM 0 H GLU A 21 -22.224 -9.375 -6.197 1.00 0.85 H new ATOM 0 HA GLU A 21 -21.820 -8.356 -3.601 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -24.027 -8.571 -4.560 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.827 -10.296 -4.789 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -24.104 -10.777 -2.521 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.613 -9.175 -2.008 1.00 1.72 H new ATOM 306 N ILE A 22 -21.342 -11.606 -3.977 1.00 0.83 N ATOM 307 CA ILE A 22 -20.748 -12.778 -3.351 1.00 0.91 C ATOM 308 C ILE A 22 -19.230 -12.626 -3.222 1.00 0.82 C ATOM 309 O ILE A 22 -18.677 -12.719 -2.129 1.00 0.86 O ATOM 310 CB ILE A 22 -21.074 -14.064 -4.145 1.00 1.09 C ATOM 311 CG1 ILE A 22 -22.584 -14.314 -4.152 1.00 1.25 C ATOM 312 CG2 ILE A 22 -20.341 -15.266 -3.562 1.00 1.40 C ATOM 313 CD1 ILE A 22 -23.152 -14.578 -5.530 1.00 1.91 C ATOM 0 H ILE A 22 -21.700 -11.765 -4.919 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.180 -12.862 -2.354 1.00 0.91 H new ATOM 0 HB ILE A 22 -20.735 -13.925 -5.172 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -22.805 -15.166 -3.509 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.088 -13.449 -3.721 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -20.588 -16.157 -4.139 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -19.266 -15.092 -3.605 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -20.645 -15.409 -2.525 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -24.226 -14.746 -5.455 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -22.963 -13.718 -6.172 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -22.676 -15.461 -5.957 1.00 1.91 H new ATOM 325 N TRP A 23 -18.570 -12.366 -4.339 1.00 0.79 N ATOM 326 CA TRP A 23 -17.113 -12.353 -4.380 1.00 0.84 C ATOM 327 C TRP A 23 -16.523 -11.183 -3.597 1.00 0.82 C ATOM 328 O TRP A 23 -15.629 -11.372 -2.769 1.00 0.94 O ATOM 329 CB TRP A 23 -16.631 -12.317 -5.831 1.00 0.90 C ATOM 330 CG TRP A 23 -16.948 -13.576 -6.583 1.00 0.98 C ATOM 331 CD1 TRP A 23 -17.716 -13.693 -7.706 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.507 -14.900 -6.260 1.00 0.95 C ATOM 333 NE1 TRP A 23 -17.781 -15.007 -8.098 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.046 -15.766 -7.228 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.708 -15.441 -5.244 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.815 -17.138 -7.213 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.479 -16.804 -5.232 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.029 -17.638 -6.213 1.00 1.24 C ATOM 0 H TRP A 23 -19.019 -12.161 -5.232 1.00 0.79 H new ATOM 0 HA TRP A 23 -16.764 -13.268 -3.902 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.091 -11.470 -6.340 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.554 -12.152 -5.847 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -18.201 -12.872 -8.212 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -18.294 -15.360 -8.906 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.279 -14.805 -4.484 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.242 -17.785 -7.965 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -14.866 -17.233 -4.453 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.828 -18.699 -6.179 1.00 1.24 H new ATOM 349 N GLU A 24 -17.029 -9.983 -3.839 1.00 0.80 N ATOM 350 CA GLU A 24 -16.462 -8.784 -3.236 1.00 0.93 C ATOM 351 C GLU A 24 -16.794 -8.697 -1.750 1.00 0.90 C ATOM 352 O GLU A 24 -15.904 -8.513 -0.928 1.00 1.04 O ATOM 353 CB GLU A 24 -16.950 -7.528 -3.962 1.00 1.20 C ATOM 354 CG GLU A 24 -16.143 -6.281 -3.645 1.00 1.75 C ATOM 355 CD GLU A 24 -16.931 -5.268 -2.839 1.00 2.29 C ATOM 356 OE1 GLU A 24 -16.947 -5.374 -1.599 1.00 2.78 O ATOM 357 OE2 GLU A 24 -17.539 -4.361 -3.439 1.00 2.65 O ATOM 0 H GLU A 24 -17.830 -9.813 -4.447 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.379 -8.848 -3.337 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -16.918 -7.706 -5.037 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -17.993 -7.350 -3.699 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -15.247 -6.563 -3.092 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -15.811 -5.821 -4.576 1.00 1.75 H new ATOM 364 N ARG A 25 -18.063 -8.855 -1.399 1.00 0.97 N ATOM 365 CA ARG A 25 -18.482 -8.670 -0.010 1.00 1.16 C ATOM 366 C ARG A 25 -17.890 -9.740 0.904 1.00 1.21 C ATOM 367 O ARG A 25 -17.691 -9.504 2.095 1.00 1.50 O ATOM 368 CB ARG A 25 -20.005 -8.670 0.106 1.00 1.41 C ATOM 369 CG ARG A 25 -20.643 -7.332 -0.229 1.00 1.99 C ATOM 370 CD ARG A 25 -19.912 -6.185 0.450 1.00 2.67 C ATOM 371 NE ARG A 25 -19.418 -5.202 -0.513 1.00 3.12 N ATOM 372 CZ ARG A 25 -20.083 -4.103 -0.862 1.00 3.67 C ATOM 373 NH1 ARG A 25 -21.263 -3.834 -0.313 1.00 3.90 N ATOM 374 NH2 ARG A 25 -19.572 -3.275 -1.764 1.00 4.40 N ATOM 0 H ARG A 25 -18.813 -9.107 -2.043 1.00 0.97 H new ATOM 0 HA ARG A 25 -18.103 -7.700 0.312 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.411 -9.433 -0.558 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.283 -8.951 1.122 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.634 -7.183 -1.309 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -21.687 -7.336 0.084 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -20.583 -5.695 1.156 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -19.075 -6.579 1.027 1.00 2.67 H new ATOM 0 HE ARG A 25 -18.508 -5.369 -0.944 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -21.661 -4.470 0.378 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -21.770 -2.991 -0.582 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -18.669 -3.480 -2.191 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -20.083 -2.433 -2.031 1.00 4.40 H new ATOM 388 N VAL A 26 -17.606 -10.911 0.351 1.00 1.11 N ATOM 389 CA VAL A 26 -17.051 -12.002 1.138 1.00 1.34 C ATOM 390 C VAL A 26 -15.521 -11.977 1.121 1.00 1.36 C ATOM 391 O VAL A 26 -14.885 -11.916 2.174 1.00 1.78 O ATOM 392 CB VAL A 26 -17.558 -13.380 0.647 1.00 1.54 C ATOM 393 CG1 VAL A 26 -16.832 -14.517 1.359 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.060 -13.495 0.860 1.00 1.66 C ATOM 0 H VAL A 26 -17.750 -11.129 -0.635 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.394 -11.856 2.162 1.00 1.34 H new ATOM 0 HB VAL A 26 -17.346 -13.460 -0.419 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -17.208 -15.473 0.995 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -15.763 -14.448 1.159 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -17.006 -14.444 2.433 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -19.404 -14.469 0.511 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.286 -13.390 1.921 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -19.568 -12.709 0.301 1.00 1.66 H new ATOM 404 N LEU A 27 -14.928 -11.999 -0.066 1.00 1.20 N ATOM 405 CA LEU A 27 -13.479 -12.121 -0.182 1.00 1.40 C ATOM 406 C LEU A 27 -12.808 -10.791 -0.508 1.00 1.42 C ATOM 407 O LEU A 27 -11.790 -10.447 0.090 1.00 1.89 O ATOM 408 CB LEU A 27 -13.123 -13.160 -1.248 1.00 1.51 C ATOM 409 CG LEU A 27 -12.442 -14.419 -0.714 1.00 2.02 C ATOM 410 CD1 LEU A 27 -13.339 -15.630 -0.901 1.00 2.17 C ATOM 411 CD2 LEU A 27 -11.103 -14.634 -1.403 1.00 2.85 C ATOM 0 H LEU A 27 -15.422 -11.935 -0.956 1.00 1.20 H new ATOM 0 HA LEU A 27 -13.104 -12.445 0.789 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.034 -13.451 -1.770 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -12.468 -12.694 -1.985 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.262 -14.287 0.353 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -12.837 -16.517 -0.515 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.273 -15.477 -0.361 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -13.551 -15.766 -1.962 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -10.632 -15.535 -1.010 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -11.260 -14.745 -2.476 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -10.456 -13.776 -1.217 1.00 2.85 H new ATOM 423 N GLY A 28 -13.385 -10.049 -1.449 1.00 1.29 N ATOM 424 CA GLY A 28 -12.780 -8.806 -1.912 1.00 1.52 C ATOM 425 C GLY A 28 -12.568 -7.784 -0.806 1.00 1.37 C ATOM 426 O GLY A 28 -11.439 -7.355 -0.564 1.00 1.73 O ATOM 0 H GLY A 28 -14.267 -10.286 -1.904 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.820 -9.030 -2.377 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -13.414 -8.368 -2.683 1.00 1.52 H new ATOM 430 N VAL A 29 -13.664 -7.382 -0.160 1.00 1.31 N ATOM 431 CA VAL A 29 -13.640 -6.419 0.945 1.00 1.31 C ATOM 432 C VAL A 29 -13.344 -4.996 0.457 1.00 1.43 C ATOM 433 O VAL A 29 -14.122 -4.074 0.704 1.00 1.90 O ATOM 434 CB VAL A 29 -12.627 -6.823 2.043 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.481 -5.722 3.081 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.055 -8.124 2.704 1.00 1.92 C ATOM 0 H VAL A 29 -14.600 -7.717 -0.389 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.639 -6.431 1.381 1.00 1.31 H new ATOM 0 HB VAL A 29 -11.656 -6.973 1.571 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.764 -6.031 3.841 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -12.128 -4.811 2.598 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.447 -5.533 3.549 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -12.333 -8.396 3.474 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.038 -7.996 3.157 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.101 -8.915 1.955 1.00 1.92 H new ATOM 446 N SER A 30 -12.225 -4.825 -0.233 1.00 1.40 N ATOM 447 CA SER A 30 -11.808 -3.515 -0.708 1.00 1.56 C ATOM 448 C SER A 30 -12.654 -3.065 -1.901 1.00 1.53 C ATOM 449 O SER A 30 -13.045 -1.901 -1.991 1.00 2.21 O ATOM 450 CB SER A 30 -10.328 -3.556 -1.084 1.00 1.76 C ATOM 451 OG SER A 30 -9.586 -4.309 -0.133 1.00 1.94 O ATOM 0 H SER A 30 -11.587 -5.583 -0.477 1.00 1.40 H new ATOM 0 HA SER A 30 -11.956 -2.790 0.092 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.212 -3.997 -2.074 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.934 -2.541 -1.139 1.00 1.76 H new ATOM 0 HG SER A 30 -8.641 -4.324 -0.393 1.00 1.94 H new ATOM 457 N GLY A 31 -12.941 -3.992 -2.805 1.00 1.30 N ATOM 458 CA GLY A 31 -13.742 -3.669 -3.970 1.00 1.27 C ATOM 459 C GLY A 31 -13.032 -4.012 -5.262 1.00 1.21 C ATOM 460 O GLY A 31 -11.892 -3.599 -5.474 1.00 1.58 O ATOM 0 H GLY A 31 -12.633 -4.963 -2.753 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.687 -4.210 -3.921 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.983 -2.606 -3.960 1.00 1.27 H new ATOM 464 N ILE A 32 -13.700 -4.770 -6.121 1.00 1.13 N ATOM 465 CA ILE A 32 -13.115 -5.214 -7.377 1.00 1.29 C ATOM 466 C ILE A 32 -14.212 -5.726 -8.311 1.00 1.38 C ATOM 467 O ILE A 32 -15.321 -6.013 -7.857 1.00 2.01 O ATOM 468 CB ILE A 32 -12.047 -6.313 -7.128 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.909 -6.192 -8.140 1.00 2.68 C ATOM 470 CG2 ILE A 32 -12.655 -7.712 -7.169 1.00 2.03 C ATOM 471 CD1 ILE A 32 -9.614 -5.690 -7.537 1.00 3.56 C ATOM 0 H ILE A 32 -14.656 -5.092 -5.968 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.619 -4.367 -7.851 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.645 -6.160 -6.127 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.734 -7.166 -8.596 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -11.214 -5.516 -8.939 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -11.876 -8.453 -6.990 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -13.421 -7.798 -6.399 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -13.103 -7.885 -8.147 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.851 -5.629 -8.313 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.773 -4.702 -7.106 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -9.285 -6.377 -6.758 1.00 3.56 H new ATOM 483 N GLY A 33 -13.919 -5.821 -9.605 1.00 1.59 N ATOM 484 CA GLY A 33 -14.917 -6.299 -10.542 1.00 1.93 C ATOM 485 C GLY A 33 -14.423 -6.361 -11.974 1.00 1.81 C ATOM 486 O GLY A 33 -13.656 -7.254 -12.335 1.00 2.28 O ATOM 0 H GLY A 33 -13.018 -5.578 -10.017 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.245 -7.293 -10.236 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -15.789 -5.647 -10.495 1.00 1.93 H new ATOM 490 N ILE A 34 -14.848 -5.394 -12.781 1.00 1.73 N ATOM 491 CA ILE A 34 -14.605 -5.414 -14.225 1.00 1.78 C ATOM 492 C ILE A 34 -13.199 -4.920 -14.567 1.00 1.93 C ATOM 493 O ILE A 34 -13.026 -3.874 -15.199 1.00 2.58 O ATOM 494 CB ILE A 34 -15.644 -4.545 -14.977 1.00 1.94 C ATOM 495 CG1 ILE A 34 -17.023 -4.631 -14.302 1.00 2.07 C ATOM 496 CG2 ILE A 34 -15.735 -4.957 -16.443 1.00 2.43 C ATOM 497 CD1 ILE A 34 -17.733 -5.953 -14.515 1.00 2.67 C ATOM 0 H ILE A 34 -15.368 -4.578 -12.458 1.00 1.73 H new ATOM 0 HA ILE A 34 -14.701 -6.452 -14.545 1.00 1.78 H new ATOM 0 HB ILE A 34 -15.310 -3.508 -14.934 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.903 -4.463 -13.232 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -17.653 -3.827 -14.682 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -16.471 -4.333 -16.951 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -14.762 -4.830 -16.918 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -16.038 -6.002 -16.509 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.698 -5.934 -14.008 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -17.887 -6.116 -15.582 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -17.126 -6.762 -14.109 1.00 2.67 H new ATOM 509 N LEU A 35 -12.198 -5.678 -14.150 1.00 1.70 N ATOM 510 CA LEU A 35 -10.810 -5.326 -14.405 1.00 1.89 C ATOM 511 C LEU A 35 -9.914 -6.532 -14.177 1.00 1.85 C ATOM 512 O LEU A 35 -10.366 -7.564 -13.680 1.00 2.19 O ATOM 513 CB LEU A 35 -10.366 -4.178 -13.493 1.00 2.03 C ATOM 514 CG LEU A 35 -10.680 -4.369 -12.007 1.00 1.96 C ATOM 515 CD1 LEU A 35 -9.411 -4.265 -11.174 1.00 2.44 C ATOM 516 CD2 LEU A 35 -11.708 -3.347 -11.546 1.00 2.46 C ATOM 0 H LEU A 35 -12.322 -6.547 -13.630 1.00 1.70 H new ATOM 0 HA LEU A 35 -10.726 -5.003 -15.443 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -9.291 -4.040 -13.606 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -10.843 -3.259 -13.834 1.00 2.03 H new ATOM 0 HG LEU A 35 -11.099 -5.366 -11.868 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.655 -4.403 -10.121 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -8.706 -5.035 -11.487 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.962 -3.282 -11.316 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -11.920 -3.496 -10.487 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -11.316 -2.342 -11.699 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -12.626 -3.470 -12.121 1.00 2.46 H new ATOM 528 N ASP A 36 -8.648 -6.394 -14.540 1.00 1.95 N ATOM 529 CA ASP A 36 -7.664 -7.442 -14.306 1.00 2.14 C ATOM 530 C ASP A 36 -7.385 -7.562 -12.814 1.00 1.49 C ATOM 531 O ASP A 36 -6.838 -6.641 -12.202 1.00 1.80 O ATOM 532 CB ASP A 36 -6.369 -7.134 -15.055 1.00 3.20 C ATOM 533 CG ASP A 36 -5.315 -8.196 -14.840 1.00 3.75 C ATOM 534 OD1 ASP A 36 -5.488 -9.324 -15.348 1.00 4.20 O ATOM 535 OD2 ASP A 36 -4.311 -7.906 -14.157 1.00 4.01 O ATOM 0 H ASP A 36 -8.276 -5.563 -15.000 1.00 1.95 H new ATOM 0 HA ASP A 36 -8.063 -8.387 -14.675 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -6.581 -7.046 -16.121 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -5.982 -6.170 -14.726 1.00 3.20 H new ATOM 540 N ASN A 37 -7.779 -8.681 -12.225 1.00 1.38 N ATOM 541 CA ASN A 37 -7.670 -8.851 -10.786 1.00 1.74 C ATOM 542 C ASN A 37 -7.386 -10.301 -10.410 1.00 1.40 C ATOM 543 O ASN A 37 -7.424 -11.198 -11.254 1.00 1.90 O ATOM 544 CB ASN A 37 -8.942 -8.349 -10.089 1.00 2.65 C ATOM 545 CG ASN A 37 -10.146 -9.248 -10.306 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.538 -10.004 -9.420 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.754 -9.158 -11.479 1.00 4.13 N ATOM 0 H ASN A 37 -8.175 -9.481 -12.719 1.00 1.38 H new ATOM 0 HA ASN A 37 -6.825 -8.254 -10.445 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -8.751 -8.263 -9.019 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -9.175 -7.348 -10.453 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -11.578 -9.728 -11.672 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.399 -8.519 -12.190 1.00 4.13 H new ATOM 554 N PHE A 38 -7.115 -10.508 -9.127 1.00 1.23 N ATOM 555 CA PHE A 38 -6.668 -11.794 -8.602 1.00 1.41 C ATOM 556 C PHE A 38 -7.714 -12.896 -8.770 1.00 1.51 C ATOM 557 O PHE A 38 -8.908 -12.619 -8.854 1.00 2.27 O ATOM 558 CB PHE A 38 -6.314 -11.641 -7.115 1.00 1.89 C ATOM 559 CG PHE A 38 -7.360 -10.913 -6.306 1.00 1.43 C ATOM 560 CD1 PHE A 38 -7.341 -9.531 -6.210 1.00 1.62 C ATOM 561 CD2 PHE A 38 -8.364 -11.611 -5.647 1.00 1.78 C ATOM 562 CE1 PHE A 38 -8.298 -8.858 -5.471 1.00 2.03 C ATOM 563 CE2 PHE A 38 -9.323 -10.944 -4.908 1.00 1.88 C ATOM 564 CZ PHE A 38 -9.289 -9.576 -4.811 1.00 1.97 C ATOM 0 H PHE A 38 -7.200 -9.782 -8.415 1.00 1.23 H new ATOM 0 HA PHE A 38 -5.792 -12.094 -9.177 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.161 -12.631 -6.685 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -5.368 -11.107 -7.031 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -6.569 -8.972 -6.718 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -8.396 -12.689 -5.713 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -8.275 -7.780 -5.407 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -10.100 -11.501 -4.406 1.00 1.88 H new ATOM 0 HZ PHE A 38 -10.031 -9.057 -4.223 1.00 1.97 H new ATOM 574 N PHE A 39 -7.228 -14.141 -8.850 1.00 1.24 N ATOM 575 CA PHE A 39 -8.064 -15.351 -8.838 1.00 1.51 C ATOM 576 C PHE A 39 -8.837 -15.556 -10.149 1.00 1.25 C ATOM 577 O PHE A 39 -8.946 -16.681 -10.636 1.00 1.22 O ATOM 578 CB PHE A 39 -8.985 -15.362 -7.593 1.00 2.01 C ATOM 579 CG PHE A 39 -10.473 -15.358 -7.858 1.00 1.77 C ATOM 580 CD1 PHE A 39 -11.144 -16.529 -8.178 1.00 1.63 C ATOM 581 CD2 PHE A 39 -11.199 -14.179 -7.764 1.00 1.94 C ATOM 582 CE1 PHE A 39 -12.509 -16.519 -8.407 1.00 1.63 C ATOM 583 CE2 PHE A 39 -12.562 -14.166 -7.989 1.00 1.93 C ATOM 584 CZ PHE A 39 -13.217 -15.336 -8.312 1.00 1.75 C ATOM 0 H PHE A 39 -6.231 -14.340 -8.926 1.00 1.24 H new ATOM 0 HA PHE A 39 -7.397 -16.210 -8.765 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -8.746 -16.244 -6.999 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -8.744 -14.492 -6.982 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -10.596 -17.457 -8.249 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -10.692 -13.260 -7.512 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -13.021 -17.436 -8.660 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -13.114 -13.241 -7.912 1.00 1.93 H new ATOM 0 HZ PHE A 39 -14.282 -15.328 -8.490 1.00 1.75 H new ATOM 594 N GLN A 40 -9.340 -14.478 -10.733 1.00 1.25 N ATOM 595 CA GLN A 40 -10.115 -14.568 -11.965 1.00 1.25 C ATOM 596 C GLN A 40 -9.251 -15.062 -13.127 1.00 1.28 C ATOM 597 O GLN A 40 -9.712 -15.820 -13.975 1.00 1.93 O ATOM 598 CB GLN A 40 -10.729 -13.208 -12.301 1.00 1.46 C ATOM 599 CG GLN A 40 -11.758 -12.747 -11.284 1.00 1.85 C ATOM 600 CD GLN A 40 -12.758 -11.768 -11.864 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.180 -10.812 -11.054 1.00 2.39 O flip ATOM 602 NE2 GLN A 40 -13.136 -11.859 -13.027 1.00 1.80 N flip ATOM 0 H GLN A 40 -9.226 -13.530 -10.375 1.00 1.25 H new ATOM 0 HA GLN A 40 -10.915 -15.292 -11.810 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -9.935 -12.465 -12.367 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -11.198 -13.261 -13.284 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -12.290 -13.614 -10.893 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -11.246 -12.281 -10.442 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -12.786 -12.612 -13.620 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -13.800 -11.182 -13.402 1.00 1.80 H new ATOM 611 N ILE A 41 -7.989 -14.646 -13.149 1.00 1.12 N ATOM 612 CA ILE A 41 -7.078 -15.039 -14.225 1.00 1.27 C ATOM 613 C ILE A 41 -6.181 -16.200 -13.804 1.00 1.35 C ATOM 614 O ILE A 41 -5.172 -16.484 -14.451 1.00 1.77 O ATOM 615 CB ILE A 41 -6.189 -13.867 -14.694 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.211 -12.722 -13.679 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.638 -13.381 -16.064 1.00 2.27 C ATOM 618 CD1 ILE A 41 -4.832 -12.269 -13.252 1.00 3.23 C ATOM 0 H ILE A 41 -7.573 -14.041 -12.441 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.712 -15.352 -15.054 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.162 -14.225 -14.771 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -6.746 -11.875 -14.109 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -6.770 -13.038 -12.798 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.003 -12.555 -16.383 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.560 -14.197 -16.783 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.673 -13.043 -16.009 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -4.923 -11.455 -12.532 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -4.301 -13.103 -12.792 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -4.277 -11.922 -14.124 1.00 3.23 H new ATOM 630 N GLY A 42 -6.554 -16.871 -12.726 1.00 1.60 N ATOM 631 CA GLY A 42 -5.771 -17.990 -12.245 1.00 1.96 C ATOM 632 C GLY A 42 -5.859 -18.143 -10.745 1.00 1.64 C ATOM 633 O GLY A 42 -5.765 -17.159 -10.006 1.00 2.06 O ATOM 0 H GLY A 42 -7.386 -16.661 -12.175 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -6.117 -18.906 -12.723 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -4.729 -17.854 -12.534 1.00 1.96 H new ATOM 637 N GLY A 43 -6.030 -19.372 -10.289 1.00 1.60 N ATOM 638 CA GLY A 43 -6.188 -19.618 -8.875 1.00 1.92 C ATOM 639 C GLY A 43 -7.644 -19.751 -8.500 1.00 1.62 C ATOM 640 O GLY A 43 -8.207 -18.871 -7.848 1.00 2.17 O ATOM 0 H GLY A 43 -6.062 -20.206 -10.876 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -5.655 -20.528 -8.600 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -5.738 -18.802 -8.309 1.00 1.92 H new ATOM 644 N HIS A 44 -8.253 -20.857 -8.920 1.00 1.25 N ATOM 645 CA HIS A 44 -9.677 -21.091 -8.687 1.00 1.22 C ATOM 646 C HIS A 44 -9.992 -21.124 -7.195 1.00 1.13 C ATOM 647 O HIS A 44 -9.143 -21.493 -6.378 1.00 1.36 O ATOM 648 CB HIS A 44 -10.150 -22.391 -9.367 1.00 1.54 C ATOM 649 CG HIS A 44 -9.623 -23.663 -8.754 1.00 1.39 C ATOM 650 ND1 HIS A 44 -10.060 -24.169 -7.546 1.00 1.94 N ATOM 651 CD2 HIS A 44 -8.691 -24.535 -9.202 1.00 1.92 C ATOM 652 CE1 HIS A 44 -9.416 -25.291 -7.280 1.00 2.26 C ATOM 653 NE2 HIS A 44 -8.580 -25.535 -8.269 1.00 2.26 N ATOM 0 H HIS A 44 -7.782 -21.608 -9.425 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.221 -20.259 -9.133 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -11.239 -22.419 -9.343 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -9.854 -22.362 -10.416 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -10.770 -23.742 -6.951 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -8.136 -24.458 -10.125 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -9.551 -25.904 -6.401 1.00 2.26 H new ATOM 662 N SER A 45 -11.211 -20.730 -6.850 1.00 1.01 N ATOM 663 CA SER A 45 -11.662 -20.727 -5.466 1.00 1.10 C ATOM 664 C SER A 45 -11.975 -22.145 -4.989 1.00 1.13 C ATOM 665 O SER A 45 -11.837 -23.109 -5.746 1.00 1.31 O ATOM 666 CB SER A 45 -12.898 -19.839 -5.345 1.00 1.19 C ATOM 667 OG SER A 45 -13.255 -19.309 -6.613 1.00 1.19 O ATOM 0 H SER A 45 -11.911 -20.406 -7.518 1.00 1.01 H new ATOM 0 HA SER A 45 -10.866 -20.334 -4.834 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.729 -20.415 -4.938 1.00 1.19 H new ATOM 0 HB3 SER A 45 -12.702 -19.026 -4.646 1.00 1.19 H new ATOM 0 HG SER A 45 -14.053 -18.747 -6.520 1.00 1.19 H new ATOM 673 N LEU A 46 -12.412 -22.271 -3.743 1.00 1.21 N ATOM 674 CA LEU A 46 -12.673 -23.577 -3.154 1.00 1.32 C ATOM 675 C LEU A 46 -14.173 -23.859 -3.077 1.00 1.35 C ATOM 676 O LEU A 46 -14.650 -24.498 -2.139 1.00 1.77 O ATOM 677 CB LEU A 46 -12.050 -23.655 -1.757 1.00 1.50 C ATOM 678 CG LEU A 46 -10.717 -22.915 -1.600 1.00 1.83 C ATOM 679 CD1 LEU A 46 -10.881 -21.702 -0.696 1.00 2.37 C ATOM 680 CD2 LEU A 46 -9.654 -23.849 -1.050 1.00 2.35 C ATOM 0 H LEU A 46 -12.593 -21.484 -3.120 1.00 1.21 H new ATOM 0 HA LEU A 46 -12.220 -24.335 -3.793 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -12.760 -23.250 -1.036 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -11.899 -24.704 -1.501 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.398 -22.569 -2.583 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -9.924 -21.190 -0.597 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -11.613 -21.021 -1.130 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -11.223 -22.025 0.287 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -8.714 -23.308 -0.945 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -9.968 -24.224 -0.076 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -9.516 -24.686 -1.734 1.00 2.35 H new ATOM 692 N LYS A 47 -14.920 -23.390 -4.069 1.00 1.23 N ATOM 693 CA LYS A 47 -16.362 -23.601 -4.087 1.00 1.28 C ATOM 694 C LYS A 47 -16.813 -24.176 -5.425 1.00 1.27 C ATOM 695 O LYS A 47 -16.031 -24.241 -6.377 1.00 1.27 O ATOM 696 CB LYS A 47 -17.114 -22.304 -3.779 1.00 1.30 C ATOM 697 CG LYS A 47 -16.718 -21.126 -4.654 1.00 1.49 C ATOM 698 CD LYS A 47 -17.792 -20.047 -4.640 1.00 1.72 C ATOM 699 CE LYS A 47 -17.946 -19.421 -3.262 1.00 1.61 C ATOM 700 NZ LYS A 47 -19.310 -19.626 -2.713 1.00 2.27 N ATOM 0 H LYS A 47 -14.556 -22.866 -4.865 1.00 1.23 H new ATOM 0 HA LYS A 47 -16.600 -24.324 -3.307 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -18.183 -22.482 -3.893 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.944 -22.039 -2.735 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -15.774 -20.709 -4.302 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -16.554 -21.467 -5.676 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -17.539 -19.273 -5.365 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -18.744 -20.477 -4.952 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -17.212 -19.853 -2.582 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.735 -18.353 -3.322 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -19.376 -19.185 -1.773 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -20.009 -19.192 -3.349 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -19.502 -20.645 -2.632 1.00 2.27 H new ATOM 714 N ALA A 48 -18.081 -24.576 -5.486 1.00 1.33 N ATOM 715 CA ALA A 48 -18.639 -25.252 -6.657 1.00 1.38 C ATOM 716 C ALA A 48 -18.491 -24.425 -7.932 1.00 1.18 C ATOM 717 O ALA A 48 -18.280 -24.982 -9.007 1.00 1.05 O ATOM 718 CB ALA A 48 -20.100 -25.591 -6.419 1.00 1.64 C ATOM 0 H ALA A 48 -18.750 -24.442 -4.728 1.00 1.33 H new ATOM 0 HA ALA A 48 -18.070 -26.170 -6.801 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -20.505 -26.094 -7.297 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -20.185 -26.248 -5.554 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -20.661 -24.675 -6.235 1.00 1.64 H new ATOM 724 N MET A 49 -18.601 -23.105 -7.809 1.00 1.20 N ATOM 725 CA MET A 49 -18.447 -22.203 -8.952 1.00 1.09 C ATOM 726 C MET A 49 -17.119 -22.450 -9.673 1.00 0.94 C ATOM 727 O MET A 49 -17.047 -22.413 -10.904 1.00 0.85 O ATOM 728 CB MET A 49 -18.528 -20.743 -8.487 1.00 1.22 C ATOM 729 CG MET A 49 -18.277 -19.729 -9.595 1.00 1.35 C ATOM 730 SD MET A 49 -19.740 -18.756 -10.001 1.00 1.95 S ATOM 731 CE MET A 49 -20.375 -19.683 -11.399 1.00 2.58 C ATOM 0 H MET A 49 -18.797 -22.633 -6.927 1.00 1.20 H new ATOM 0 HA MET A 49 -19.258 -22.402 -9.653 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.514 -20.562 -8.059 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.801 -20.584 -7.691 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.474 -19.058 -9.291 1.00 1.35 H new ATOM 0 HG3 MET A 49 -17.935 -20.252 -10.488 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.284 -19.208 -11.768 1.00 2.58 H new ATOM 0 HE2 MET A 49 -19.628 -19.702 -12.192 1.00 2.58 H new ATOM 0 HE3 MET A 49 -20.600 -20.703 -11.087 1.00 2.58 H new ATOM 741 N ALA A 50 -16.077 -22.732 -8.900 1.00 0.96 N ATOM 742 CA ALA A 50 -14.754 -22.963 -9.461 1.00 0.90 C ATOM 743 C ALA A 50 -14.663 -24.349 -10.084 1.00 0.84 C ATOM 744 O ALA A 50 -14.085 -24.521 -11.157 1.00 0.80 O ATOM 745 CB ALA A 50 -13.690 -22.789 -8.392 1.00 1.06 C ATOM 0 H ALA A 50 -16.124 -22.806 -7.884 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.583 -22.227 -10.247 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.706 -22.965 -8.826 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.736 -21.775 -7.995 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.864 -23.502 -7.586 1.00 1.06 H new ATOM 751 N VAL A 51 -15.248 -25.333 -9.413 1.00 0.90 N ATOM 752 CA VAL A 51 -15.235 -26.706 -9.903 1.00 0.92 C ATOM 753 C VAL A 51 -15.976 -26.807 -11.232 1.00 0.84 C ATOM 754 O VAL A 51 -15.523 -27.479 -12.155 1.00 0.85 O ATOM 755 CB VAL A 51 -15.872 -27.680 -8.890 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.546 -29.120 -9.254 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.406 -27.369 -7.476 1.00 1.46 C ATOM 0 H VAL A 51 -15.738 -25.206 -8.527 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.191 -26.987 -10.042 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.954 -27.551 -8.929 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.004 -29.791 -8.528 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.935 -29.341 -10.248 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.465 -29.261 -9.247 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.868 -28.068 -6.779 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.322 -27.465 -7.421 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.694 -26.351 -7.214 1.00 1.46 H new ATOM 767 N ALA A 52 -17.105 -26.114 -11.323 1.00 0.84 N ATOM 768 CA ALA A 52 -17.911 -26.102 -12.537 1.00 0.85 C ATOM 769 C ALA A 52 -17.124 -25.534 -13.710 1.00 0.77 C ATOM 770 O ALA A 52 -17.192 -26.052 -14.825 1.00 0.83 O ATOM 771 CB ALA A 52 -19.182 -25.298 -12.313 1.00 0.97 C ATOM 0 H ALA A 52 -17.485 -25.549 -10.564 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.180 -27.130 -12.779 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.777 -25.296 -13.226 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.759 -25.748 -11.505 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.922 -24.273 -12.047 1.00 0.97 H new ATOM 777 N ALA A 53 -16.366 -24.476 -13.452 1.00 0.72 N ATOM 778 CA ALA A 53 -15.558 -23.845 -14.486 1.00 0.74 C ATOM 779 C ALA A 53 -14.385 -24.738 -14.886 1.00 0.73 C ATOM 780 O ALA A 53 -14.009 -24.809 -16.060 1.00 0.93 O ATOM 781 CB ALA A 53 -15.056 -22.491 -14.008 1.00 0.82 C ATOM 0 H ALA A 53 -16.294 -24.037 -12.534 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.184 -23.698 -15.366 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.453 -22.030 -14.790 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.906 -21.848 -13.778 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.449 -22.624 -13.113 1.00 0.82 H new ATOM 787 N GLN A 54 -13.825 -25.435 -13.904 1.00 0.71 N ATOM 788 CA GLN A 54 -12.652 -26.271 -14.123 1.00 0.83 C ATOM 789 C GLN A 54 -13.016 -27.580 -14.822 1.00 0.88 C ATOM 790 O GLN A 54 -12.150 -28.248 -15.387 1.00 1.07 O ATOM 791 CB GLN A 54 -11.950 -26.554 -12.785 1.00 0.99 C ATOM 792 CG GLN A 54 -12.299 -27.904 -12.166 1.00 1.27 C ATOM 793 CD GLN A 54 -11.615 -28.143 -10.833 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.975 -27.252 -10.275 1.00 1.76 O ATOM 795 NE2 GLN A 54 -11.748 -29.353 -10.311 1.00 1.86 N ATOM 0 H GLN A 54 -14.167 -25.437 -12.943 1.00 0.71 H new ATOM 0 HA GLN A 54 -11.970 -25.728 -14.778 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -10.872 -26.505 -12.936 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.209 -25.766 -12.078 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.379 -27.966 -12.030 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -12.019 -28.698 -12.859 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -12.287 -30.065 -10.804 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -11.312 -29.573 -9.416 1.00 1.86 H new ATOM 804 N VAL A 55 -14.291 -27.941 -14.786 1.00 0.88 N ATOM 805 CA VAL A 55 -14.732 -29.220 -15.327 1.00 0.98 C ATOM 806 C VAL A 55 -15.676 -29.046 -16.520 1.00 0.96 C ATOM 807 O VAL A 55 -16.131 -30.028 -17.109 1.00 1.10 O ATOM 808 CB VAL A 55 -15.415 -30.075 -14.226 1.00 1.13 C ATOM 809 CG1 VAL A 55 -16.886 -29.710 -14.063 1.00 1.82 C ATOM 810 CG2 VAL A 55 -15.257 -31.559 -14.519 1.00 1.36 C ATOM 0 H VAL A 55 -15.036 -27.369 -14.389 1.00 0.88 H new ATOM 0 HA VAL A 55 -13.842 -29.740 -15.683 1.00 0.98 H new ATOM 0 HB VAL A 55 -14.915 -29.855 -13.283 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -17.330 -30.329 -13.284 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -16.972 -28.660 -13.785 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -17.409 -29.880 -15.004 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -15.743 -32.139 -13.734 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.717 -31.791 -15.480 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -14.197 -31.812 -14.553 1.00 1.36 H new ATOM 820 N HIS A 56 -15.945 -27.803 -16.898 1.00 0.95 N ATOM 821 CA HIS A 56 -16.917 -27.532 -17.955 1.00 1.02 C ATOM 822 C HIS A 56 -16.428 -28.007 -19.321 1.00 0.97 C ATOM 823 O HIS A 56 -17.229 -28.422 -20.159 1.00 1.30 O ATOM 824 CB HIS A 56 -17.265 -26.044 -18.013 1.00 1.22 C ATOM 825 CG HIS A 56 -18.739 -25.799 -18.154 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.275 -24.786 -18.921 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.795 -26.465 -17.630 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.594 -24.843 -18.861 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.936 -25.854 -18.086 1.00 1.97 N ATOM 0 H HIS A 56 -15.510 -26.973 -16.495 1.00 0.95 H new ATOM 0 HA HIS A 56 -17.816 -28.097 -17.707 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -16.905 -25.555 -17.108 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -16.743 -25.585 -18.853 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -19.748 -27.321 -16.973 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.277 -24.174 -19.363 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -21.891 -26.135 -17.863 1.00 1.97 H new ATOM 838 N ARG A 57 -15.124 -27.953 -19.548 1.00 0.98 N ATOM 839 CA ARG A 57 -14.570 -28.370 -20.829 1.00 1.19 C ATOM 840 C ARG A 57 -14.058 -29.805 -20.755 1.00 1.33 C ATOM 841 O ARG A 57 -14.708 -30.727 -21.245 1.00 2.17 O ATOM 842 CB ARG A 57 -13.448 -27.424 -21.263 1.00 1.33 C ATOM 843 CG ARG A 57 -13.474 -27.090 -22.746 1.00 1.79 C ATOM 844 CD ARG A 57 -12.688 -28.105 -23.560 1.00 1.88 C ATOM 845 NE ARG A 57 -12.935 -27.969 -24.992 1.00 2.28 N ATOM 846 CZ ARG A 57 -12.002 -28.119 -25.926 1.00 2.79 C ATOM 847 NH1 ARG A 57 -10.758 -28.436 -25.581 1.00 3.10 N ATOM 848 NH2 ARG A 57 -12.320 -27.958 -27.204 1.00 3.57 N ATOM 0 H ARG A 57 -14.435 -27.628 -18.870 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.365 -28.328 -21.573 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.521 -26.500 -20.690 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.487 -27.876 -21.018 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -14.506 -27.062 -23.096 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -13.058 -26.095 -22.903 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -11.623 -27.981 -23.363 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -12.956 -29.112 -23.240 1.00 1.88 H new ATOM 0 HE ARG A 57 -13.883 -27.745 -25.295 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -10.518 -28.565 -24.598 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -10.043 -28.551 -26.299 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -13.277 -27.720 -27.465 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -11.608 -28.072 -27.925 1.00 3.57 H new ATOM 862 N GLU A 58 -12.896 -29.984 -20.139 1.00 1.21 N ATOM 863 CA GLU A 58 -12.299 -31.307 -19.994 1.00 1.40 C ATOM 864 C GLU A 58 -11.267 -31.295 -18.872 1.00 1.22 C ATOM 865 O GLU A 58 -10.101 -31.637 -19.081 1.00 1.68 O ATOM 866 CB GLU A 58 -11.647 -31.757 -21.305 1.00 1.88 C ATOM 867 CG GLU A 58 -12.166 -33.095 -21.816 1.00 2.68 C ATOM 868 CD GLU A 58 -11.920 -34.235 -20.846 1.00 3.16 C ATOM 869 OE1 GLU A 58 -12.743 -34.433 -19.931 1.00 3.64 O ATOM 870 OE2 GLU A 58 -10.901 -34.939 -20.997 1.00 3.53 O ATOM 0 H GLU A 58 -12.347 -29.228 -19.731 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.089 -32.015 -19.744 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -11.818 -30.996 -22.066 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -10.569 -31.826 -21.160 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -13.236 -33.014 -22.009 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -11.687 -33.325 -22.768 1.00 2.68 H new ATOM 877 N TYR A 59 -11.717 -30.880 -17.692 1.00 1.26 N ATOM 878 CA TYR A 59 -10.873 -30.799 -16.503 1.00 1.40 C ATOM 879 C TYR A 59 -9.610 -29.985 -16.760 1.00 1.33 C ATOM 880 O TYR A 59 -8.510 -30.525 -16.854 1.00 1.82 O ATOM 881 CB TYR A 59 -10.517 -32.195 -15.989 1.00 1.93 C ATOM 882 CG TYR A 59 -11.075 -32.467 -14.612 1.00 2.42 C ATOM 883 CD1 TYR A 59 -10.619 -31.767 -13.504 1.00 2.98 C ATOM 884 CD2 TYR A 59 -12.047 -33.441 -14.419 1.00 2.85 C ATOM 885 CE1 TYR A 59 -11.119 -32.026 -12.243 1.00 3.65 C ATOM 886 CE2 TYR A 59 -12.548 -33.707 -13.160 1.00 3.50 C ATOM 887 CZ TYR A 59 -12.123 -32.940 -12.082 1.00 3.80 C ATOM 888 OH TYR A 59 -12.574 -33.261 -10.820 1.00 4.58 O ATOM 0 H TYR A 59 -12.681 -30.589 -17.532 1.00 1.26 H new ATOM 0 HA TYR A 59 -11.448 -30.283 -15.734 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.897 -32.942 -16.685 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.433 -32.304 -15.966 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -9.861 -31.008 -13.630 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -12.416 -33.999 -15.267 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -10.717 -31.507 -11.385 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -13.263 -34.503 -13.015 1.00 3.50 H new ATOM 0 HH TYR A 59 -13.291 -33.926 -10.888 1.00 4.58 H new ATOM 898 N GLN A 60 -9.782 -28.677 -16.867 1.00 1.24 N ATOM 899 CA GLN A 60 -8.663 -27.774 -17.093 1.00 1.28 C ATOM 900 C GLN A 60 -8.109 -27.280 -15.760 1.00 1.38 C ATOM 901 O GLN A 60 -7.009 -26.733 -15.696 1.00 1.94 O ATOM 902 CB GLN A 60 -9.092 -26.585 -17.957 1.00 1.68 C ATOM 903 CG GLN A 60 -10.280 -26.868 -18.865 1.00 1.83 C ATOM 904 CD GLN A 60 -11.604 -26.490 -18.226 1.00 2.07 C ATOM 905 OE1 GLN A 60 -12.546 -27.285 -18.208 1.00 2.80 O ATOM 906 NE2 GLN A 60 -11.683 -25.277 -17.699 1.00 2.27 N ATOM 0 H GLN A 60 -10.689 -28.215 -16.801 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.882 -28.320 -17.622 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.339 -25.747 -17.305 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -8.247 -26.273 -18.570 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -10.160 -26.316 -19.797 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.293 -27.927 -19.121 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.878 -24.651 -17.736 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -12.549 -24.969 -17.256 1.00 2.27 H new ATOM 915 N VAL A 61 -8.897 -27.486 -14.705 1.00 1.49 N ATOM 916 CA VAL A 61 -8.515 -27.138 -13.336 1.00 1.90 C ATOM 917 C VAL A 61 -8.234 -25.640 -13.180 1.00 2.03 C ATOM 918 O VAL A 61 -9.147 -24.852 -12.937 1.00 2.77 O ATOM 919 CB VAL A 61 -7.290 -27.954 -12.846 1.00 2.42 C ATOM 920 CG1 VAL A 61 -7.133 -27.831 -11.337 1.00 3.13 C ATOM 921 CG2 VAL A 61 -7.418 -29.420 -13.245 1.00 2.70 C ATOM 0 H VAL A 61 -9.825 -27.902 -14.777 1.00 1.49 H new ATOM 0 HA VAL A 61 -9.372 -27.395 -12.713 1.00 1.90 H new ATOM 0 HB VAL A 61 -6.400 -27.544 -13.324 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -6.268 -28.410 -11.013 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -6.989 -26.784 -11.070 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -8.029 -28.211 -10.846 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -6.547 -29.971 -12.890 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -8.320 -29.841 -12.800 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -7.479 -29.498 -14.331 1.00 2.70 H new ATOM 931 N GLU A 62 -6.975 -25.252 -13.333 1.00 1.77 N ATOM 932 CA GLU A 62 -6.566 -23.871 -13.108 1.00 2.15 C ATOM 933 C GLU A 62 -6.454 -23.108 -14.421 1.00 1.95 C ATOM 934 O GLU A 62 -5.864 -22.028 -14.473 1.00 2.59 O ATOM 935 CB GLU A 62 -5.231 -23.830 -12.365 1.00 2.85 C ATOM 936 CG GLU A 62 -5.298 -24.424 -10.968 1.00 3.27 C ATOM 937 CD GLU A 62 -5.464 -23.372 -9.894 1.00 4.00 C ATOM 938 OE1 GLU A 62 -6.488 -22.657 -9.904 1.00 4.41 O ATOM 939 OE2 GLU A 62 -4.575 -23.260 -9.024 1.00 4.56 O ATOM 0 H GLU A 62 -6.217 -25.875 -13.613 1.00 1.77 H new ATOM 0 HA GLU A 62 -7.331 -23.389 -12.499 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -4.484 -24.371 -12.946 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -4.894 -22.796 -12.296 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -6.131 -25.126 -10.915 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -4.389 -24.993 -10.776 1.00 3.27 H new ATOM 946 N LEU A 63 -7.021 -23.673 -15.478 1.00 1.62 N ATOM 947 CA LEU A 63 -7.023 -23.027 -16.784 1.00 1.78 C ATOM 948 C LEU A 63 -8.454 -22.820 -17.275 1.00 1.53 C ATOM 949 O LEU A 63 -8.965 -23.592 -18.083 1.00 1.50 O ATOM 950 CB LEU A 63 -6.234 -23.863 -17.798 1.00 2.34 C ATOM 951 CG LEU A 63 -4.816 -23.364 -18.101 1.00 2.46 C ATOM 952 CD1 LEU A 63 -4.783 -21.845 -18.197 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.839 -23.853 -17.041 1.00 3.01 C ATOM 0 H LEU A 63 -7.487 -24.580 -15.457 1.00 1.62 H new ATOM 0 HA LEU A 63 -6.543 -22.054 -16.685 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -6.169 -24.886 -17.428 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -6.796 -23.897 -18.731 1.00 2.34 H new ATOM 0 HG LEU A 63 -4.513 -23.772 -19.065 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -3.766 -21.516 -18.412 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -5.448 -21.516 -18.996 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -5.111 -21.413 -17.251 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.838 -23.489 -17.273 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -4.144 -23.478 -16.064 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -3.834 -24.943 -17.026 1.00 3.01 H new ATOM 965 N PRO A 64 -9.132 -21.778 -16.778 1.00 1.52 N ATOM 966 CA PRO A 64 -10.499 -21.470 -17.158 1.00 1.44 C ATOM 967 C PRO A 64 -10.580 -20.405 -18.254 1.00 1.43 C ATOM 968 O PRO A 64 -11.641 -19.826 -18.500 1.00 1.89 O ATOM 969 CB PRO A 64 -11.066 -20.943 -15.843 1.00 1.66 C ATOM 970 CG PRO A 64 -9.908 -20.290 -15.146 1.00 1.91 C ATOM 971 CD PRO A 64 -8.640 -20.821 -15.776 1.00 1.79 C ATOM 0 HA PRO A 64 -11.031 -22.324 -17.577 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -11.872 -20.230 -16.020 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -11.482 -21.752 -15.242 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -9.961 -19.206 -15.247 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -9.928 -20.512 -14.079 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -8.055 -20.024 -16.235 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -7.998 -21.305 -15.040 1.00 1.79 H new ATOM 979 N LEU A 65 -9.454 -20.167 -18.919 1.00 1.22 N ATOM 980 CA LEU A 65 -9.341 -19.097 -19.903 1.00 1.24 C ATOM 981 C LEU A 65 -10.321 -19.293 -21.058 1.00 1.19 C ATOM 982 O LEU A 65 -10.265 -20.298 -21.769 1.00 1.82 O ATOM 983 CB LEU A 65 -7.907 -19.013 -20.436 1.00 1.39 C ATOM 984 CG LEU A 65 -7.753 -18.325 -21.797 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.496 -16.838 -21.620 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.631 -18.967 -22.597 1.00 2.34 C ATOM 0 H LEU A 65 -8.598 -20.708 -18.792 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.592 -18.161 -19.405 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.297 -18.480 -19.707 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.505 -20.023 -20.511 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.685 -18.449 -22.349 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -7.390 -16.368 -22.598 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -8.333 -16.385 -21.089 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.581 -16.693 -21.046 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.537 -18.465 -23.560 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.694 -18.876 -22.047 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -6.856 -20.021 -22.758 1.00 2.34 H new ATOM 998 N LYS A 66 -11.234 -18.330 -21.200 1.00 0.89 N ATOM 999 CA LYS A 66 -12.201 -18.292 -22.302 1.00 0.89 C ATOM 1000 C LYS A 66 -13.234 -19.417 -22.204 1.00 0.88 C ATOM 1001 O LYS A 66 -14.080 -19.565 -23.085 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.490 -18.342 -23.657 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.085 -16.974 -24.182 1.00 1.47 C ATOM 1004 CD LYS A 66 -12.194 -16.342 -25.011 1.00 1.62 C ATOM 1005 CE LYS A 66 -11.635 -15.598 -26.212 1.00 1.99 C ATOM 1006 NZ LYS A 66 -12.378 -14.340 -26.483 1.00 2.42 N ATOM 0 H LYS A 66 -11.325 -17.549 -20.550 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.736 -17.346 -22.219 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.601 -18.966 -23.569 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.145 -18.822 -24.384 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -10.838 -16.321 -23.345 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.185 -17.068 -24.789 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -12.883 -17.116 -25.349 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -12.767 -15.654 -24.390 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -10.584 -15.368 -26.039 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -11.680 -16.242 -27.090 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -11.964 -13.864 -27.310 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -13.376 -14.561 -26.674 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -12.314 -13.714 -25.655 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.167 -20.197 -21.136 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.131 -21.262 -20.911 1.00 1.08 C ATOM 1022 C VAL A 67 -15.194 -20.793 -19.929 1.00 1.15 C ATOM 1023 O VAL A 67 -16.390 -20.847 -20.214 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.462 -22.542 -20.362 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -14.474 -23.671 -20.232 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -12.304 -22.961 -21.251 1.00 2.11 C ATOM 0 H VAL A 67 -12.454 -20.112 -20.411 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.583 -21.503 -21.873 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.072 -22.322 -19.368 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -13.979 -24.561 -19.844 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -15.268 -23.371 -19.549 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.901 -23.891 -21.210 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -11.845 -23.864 -20.849 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -12.671 -23.158 -22.258 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -11.564 -22.162 -21.285 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.735 -20.321 -18.777 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.610 -19.826 -17.722 1.00 1.15 C ATOM 1038 C LEU A 68 -14.751 -19.185 -16.646 1.00 1.14 C ATOM 1039 O LEU A 68 -13.577 -19.516 -16.536 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.439 -20.975 -17.127 1.00 1.35 C ATOM 1041 CG LEU A 68 -17.915 -20.663 -16.837 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.094 -20.197 -15.400 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.456 -19.625 -17.811 1.00 2.02 C ATOM 0 H LEU A 68 -13.742 -20.271 -18.547 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.302 -19.091 -18.133 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.395 -21.821 -17.813 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -15.967 -21.294 -16.198 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.486 -21.582 -16.973 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.146 -19.981 -15.216 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.759 -20.980 -14.719 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -17.504 -19.295 -15.234 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.503 -19.423 -17.583 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -17.880 -18.704 -17.718 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.373 -20.004 -18.830 1.00 2.02 H new ATOM 1055 N PHE A 69 -15.322 -18.247 -15.890 1.00 1.04 N ATOM 1056 CA PHE A 69 -14.627 -17.599 -14.767 1.00 1.16 C ATOM 1057 C PHE A 69 -13.587 -16.578 -15.238 1.00 1.15 C ATOM 1058 O PHE A 69 -13.643 -15.413 -14.853 1.00 1.87 O ATOM 1059 CB PHE A 69 -13.953 -18.642 -13.864 1.00 1.30 C ATOM 1060 CG PHE A 69 -14.344 -18.548 -12.418 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -14.719 -17.336 -11.860 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -14.335 -19.677 -11.615 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -15.079 -17.254 -10.531 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -14.693 -19.598 -10.286 1.00 1.81 C ATOM 1065 CZ PHE A 69 -15.065 -18.388 -9.744 1.00 1.60 C ATOM 0 H PHE A 69 -16.275 -17.913 -16.034 1.00 1.04 H new ATOM 0 HA PHE A 69 -15.388 -17.065 -14.198 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -14.200 -19.638 -14.232 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -12.872 -18.531 -13.944 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.729 -16.446 -12.472 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -14.045 -20.629 -12.035 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -15.371 -16.305 -10.107 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -14.682 -20.485 -9.670 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.346 -18.326 -8.703 1.00 1.60 H new ATOM 1075 N ALA A 70 -12.648 -17.017 -16.069 1.00 0.92 N ATOM 1076 CA ALA A 70 -11.524 -16.178 -16.480 1.00 0.94 C ATOM 1077 C ALA A 70 -11.922 -15.152 -17.540 1.00 0.91 C ATOM 1078 O ALA A 70 -11.490 -15.233 -18.693 1.00 1.09 O ATOM 1079 CB ALA A 70 -10.384 -17.046 -16.988 1.00 1.03 C ATOM 0 H ALA A 70 -12.642 -17.953 -16.474 1.00 0.92 H new ATOM 0 HA ALA A 70 -11.195 -15.621 -15.602 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.551 -16.412 -17.292 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -10.057 -17.718 -16.195 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.725 -17.631 -17.842 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.745 -14.193 -17.138 1.00 1.05 N ATOM 1086 CA GLN A 71 -13.125 -13.077 -17.992 1.00 1.14 C ATOM 1087 C GLN A 71 -13.535 -11.899 -17.121 1.00 1.04 C ATOM 1088 O GLN A 71 -14.371 -12.050 -16.233 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.276 -13.457 -18.932 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.826 -13.965 -20.298 1.00 1.89 C ATOM 1091 CD GLN A 71 -12.817 -13.049 -20.970 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -13.174 -12.223 -21.805 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -11.550 -13.197 -20.617 1.00 3.23 N ATOM 0 H GLN A 71 -13.168 -14.167 -16.210 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.268 -12.806 -18.609 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -14.883 -14.225 -18.453 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.917 -12.587 -19.074 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.389 -14.957 -20.184 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -14.697 -14.073 -20.944 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -11.293 -13.895 -19.919 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -10.830 -12.613 -21.043 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.956 -10.712 -17.361 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.199 -9.520 -16.533 1.00 1.26 C ATOM 1104 C PRO A 72 -14.648 -9.037 -16.593 1.00 1.21 C ATOM 1105 O PRO A 72 -15.064 -8.187 -15.806 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.255 -8.461 -17.124 1.00 1.60 C ATOM 1107 CG PRO A 72 -11.271 -9.225 -17.943 1.00 1.77 C ATOM 1108 CD PRO A 72 -12.007 -10.430 -18.449 1.00 1.38 C ATOM 0 HA PRO A 72 -13.019 -9.729 -15.478 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.802 -7.743 -17.735 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.757 -7.895 -16.337 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.897 -8.620 -18.769 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.408 -9.517 -17.345 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -12.519 -10.226 -19.390 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -11.335 -11.269 -18.627 1.00 1.38 H new ATOM 1116 N THR A 73 -15.409 -9.574 -17.535 1.00 1.29 N ATOM 1117 CA THR A 73 -16.817 -9.253 -17.652 1.00 1.40 C ATOM 1118 C THR A 73 -17.636 -10.533 -17.801 1.00 1.25 C ATOM 1119 O THR A 73 -17.501 -11.273 -18.780 1.00 1.55 O ATOM 1120 CB THR A 73 -17.091 -8.287 -18.830 1.00 1.86 C ATOM 1121 OG1 THR A 73 -18.501 -8.144 -19.043 1.00 2.46 O ATOM 1122 CG2 THR A 73 -16.417 -8.762 -20.115 1.00 2.01 C ATOM 0 H THR A 73 -15.069 -10.237 -18.231 1.00 1.29 H new ATOM 0 HA THR A 73 -17.120 -8.741 -16.739 1.00 1.40 H new ATOM 0 HB THR A 73 -16.667 -7.318 -18.564 1.00 1.86 H new ATOM 0 HG1 THR A 73 -18.921 -7.795 -18.229 1.00 2.46 H new ATOM 0 HG21 THR A 73 -16.632 -8.059 -20.920 1.00 2.01 H new ATOM 0 HG22 THR A 73 -15.339 -8.819 -19.961 1.00 2.01 H new ATOM 0 HG23 THR A 73 -16.798 -9.747 -20.383 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.474 -10.796 -16.810 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.274 -12.010 -16.781 1.00 1.13 C ATOM 1132 C ILE A 74 -20.471 -11.892 -17.719 1.00 1.08 C ATOM 1133 O ILE A 74 -21.071 -12.897 -18.101 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.763 -12.333 -15.351 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.696 -11.947 -14.322 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -20.108 -13.811 -15.227 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -19.261 -11.345 -13.053 1.00 2.08 C ATOM 0 H ILE A 74 -18.618 -10.180 -16.010 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.635 -12.826 -17.118 1.00 1.13 H new ATOM 0 HB ILE A 74 -20.663 -11.750 -15.154 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.115 -12.833 -14.065 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -18.008 -11.234 -14.776 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -20.451 -14.021 -14.214 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -20.897 -14.061 -15.936 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -19.223 -14.410 -15.442 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -18.446 -11.097 -12.373 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -19.818 -10.440 -13.296 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -19.927 -12.063 -12.575 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.805 -10.660 -18.096 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.900 -10.409 -19.028 1.00 1.12 C ATOM 1151 C LYS A 75 -21.675 -11.166 -20.332 1.00 1.02 C ATOM 1152 O LYS A 75 -22.555 -11.888 -20.806 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.019 -8.908 -19.307 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.202 -8.538 -20.187 1.00 1.80 C ATOM 1155 CD LYS A 75 -22.824 -7.477 -21.206 1.00 2.44 C ATOM 1156 CE LYS A 75 -23.595 -7.651 -22.504 1.00 3.14 C ATOM 1157 NZ LYS A 75 -24.020 -6.345 -23.076 1.00 3.80 N ATOM 0 H LYS A 75 -20.331 -9.818 -17.769 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.827 -10.761 -18.577 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -22.104 -8.378 -18.359 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.102 -8.563 -19.784 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -23.566 -9.427 -20.703 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.020 -8.173 -19.566 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -23.023 -6.488 -20.793 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -21.754 -7.529 -21.407 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -22.974 -8.179 -23.227 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -24.473 -8.272 -22.324 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -24.543 -6.507 -23.960 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -24.634 -5.852 -22.397 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -23.181 -5.762 -23.271 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.479 -11.009 -20.890 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.124 -11.663 -22.139 1.00 0.98 C ATOM 1173 C ALA A 76 -20.145 -13.178 -21.986 1.00 0.91 C ATOM 1174 O ALA A 76 -20.635 -13.888 -22.856 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.754 -11.202 -22.608 1.00 1.08 C ATOM 0 H ALA A 76 -19.738 -10.431 -20.493 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.865 -11.385 -22.888 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.503 -11.701 -23.544 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.767 -10.123 -22.764 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.008 -11.451 -21.853 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.627 -13.658 -20.863 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.537 -15.091 -20.603 1.00 0.97 C ATOM 1183 C LEU A 77 -20.923 -15.730 -20.535 1.00 1.04 C ATOM 1184 O LEU A 77 -21.166 -16.771 -21.148 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.784 -15.346 -19.295 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.318 -15.754 -19.452 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.678 -15.939 -18.087 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -17.200 -17.026 -20.283 1.00 1.94 C ATOM 0 H LEU A 77 -19.260 -13.073 -20.113 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.990 -15.546 -21.429 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.829 -14.442 -18.687 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.304 -16.128 -18.742 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.789 -14.959 -19.977 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.635 -16.229 -18.211 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.731 -15.003 -17.531 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -17.209 -16.717 -17.539 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -16.150 -17.299 -20.383 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -17.740 -17.834 -19.790 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.626 -16.856 -21.272 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.827 -15.087 -19.803 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.165 -15.623 -19.570 1.00 1.34 C ATOM 1202 C ALA A 78 -23.968 -15.737 -20.862 1.00 1.34 C ATOM 1203 O ALA A 78 -24.827 -16.608 -20.994 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.908 -14.764 -18.556 1.00 1.57 C ATOM 0 H ALA A 78 -21.655 -14.186 -19.357 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.050 -16.630 -19.170 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.904 -15.175 -18.392 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.359 -14.756 -17.614 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.994 -13.746 -18.935 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.681 -14.871 -21.822 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.405 -14.895 -23.085 1.00 1.42 C ATOM 1212 C GLN A 79 -23.587 -15.578 -24.179 1.00 1.44 C ATOM 1213 O GLN A 79 -23.968 -15.565 -25.350 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.790 -13.477 -23.509 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.602 -12.593 -23.856 1.00 1.65 C ATOM 1216 CD GLN A 79 -23.998 -11.387 -24.681 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.572 -10.425 -24.167 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -23.704 -11.434 -25.968 1.00 2.74 N ATOM 0 H GLN A 79 -22.961 -14.151 -21.754 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.316 -15.474 -22.938 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.452 -13.534 -24.373 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.356 -13.009 -22.704 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.122 -12.258 -22.937 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -22.865 -13.179 -24.406 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -23.228 -12.250 -26.353 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -23.953 -10.654 -26.577 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.470 -16.184 -23.793 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.602 -16.862 -24.744 1.00 1.38 C ATOM 1229 C TYR A 80 -21.481 -18.343 -24.403 1.00 1.39 C ATOM 1230 O TYR A 80 -22.332 -19.147 -24.784 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.214 -16.215 -24.761 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.973 -15.314 -25.948 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.616 -14.087 -26.053 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.097 -15.686 -26.956 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.392 -13.257 -27.133 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -18.868 -14.862 -28.039 1.00 2.18 C ATOM 1237 CZ TYR A 80 -19.518 -13.650 -28.123 1.00 2.42 C ATOM 1238 OH TYR A 80 -19.288 -12.826 -29.200 1.00 2.85 O ATOM 0 H TYR A 80 -22.145 -16.219 -22.827 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.047 -16.767 -25.734 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.082 -15.637 -23.846 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.458 -17.000 -24.754 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -21.302 -13.778 -25.278 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -18.586 -16.635 -26.893 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -20.899 -12.306 -27.202 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -18.183 -15.166 -28.817 1.00 2.18 H new ATOM 0 HH TYR A 80 -18.645 -13.251 -29.806 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.443 -18.688 -23.645 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.144 -20.081 -23.325 1.00 1.39 C ATOM 1250 C VAL A 81 -20.960 -20.563 -22.129 1.00 1.35 C ATOM 1251 O VAL A 81 -20.448 -21.240 -21.235 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.640 -20.297 -23.033 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.130 -21.537 -23.752 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -17.820 -19.076 -23.431 1.00 1.72 C ATOM 0 H VAL A 81 -19.791 -18.017 -23.239 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.416 -20.664 -24.205 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.525 -20.444 -21.959 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.071 -21.673 -23.535 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -18.686 -22.410 -23.410 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.268 -21.417 -24.827 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -16.767 -19.258 -23.214 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -17.943 -18.887 -24.497 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.162 -18.208 -22.867 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.232 -20.204 -22.122 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.155 -20.646 -21.091 1.00 1.52 C ATOM 1266 C ALA A 82 -24.394 -21.245 -21.736 1.00 1.59 C ATOM 1267 O ALA A 82 -24.916 -22.266 -21.285 1.00 1.90 O ATOM 1268 CB ALA A 82 -23.531 -19.491 -20.173 1.00 1.66 C ATOM 0 H ALA A 82 -22.653 -19.600 -22.828 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.668 -21.409 -20.485 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -24.223 -19.844 -19.408 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -22.633 -19.098 -19.696 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -24.007 -18.703 -20.756 1.00 1.66 H new ATOM 1274 N THR A 83 -24.851 -20.604 -22.802 1.00 1.64 N ATOM 1275 CA THR A 83 -25.985 -21.088 -23.571 1.00 1.83 C ATOM 1276 C THR A 83 -25.648 -22.401 -24.270 1.00 2.01 C ATOM 1277 O THR A 83 -24.578 -22.543 -24.865 1.00 2.41 O ATOM 1278 CB THR A 83 -26.402 -20.046 -24.624 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.538 -18.901 -24.534 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.849 -19.620 -24.425 1.00 2.65 C ATOM 0 H THR A 83 -24.447 -19.737 -23.156 1.00 1.64 H new ATOM 0 HA THR A 83 -26.810 -21.257 -22.878 1.00 1.83 H new ATOM 0 HB THR A 83 -26.313 -20.496 -25.613 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.736 -18.405 -23.712 1.00 2.59 H new ATOM 0 HG21 THR A 83 -28.119 -18.883 -25.182 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.500 -20.489 -24.517 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.966 -19.182 -23.434 1.00 2.65 H new ATOM 1288 N ARG A 84 -26.546 -23.369 -24.169 1.00 2.19 N ATOM 1289 CA ARG A 84 -26.355 -24.654 -24.824 1.00 2.75 C ATOM 1290 C ARG A 84 -26.775 -24.568 -26.284 1.00 3.36 C ATOM 1291 O ARG A 84 -27.905 -24.898 -26.639 1.00 4.13 O ATOM 1292 CB ARG A 84 -27.157 -25.738 -24.112 1.00 3.41 C ATOM 1293 CG ARG A 84 -26.326 -26.590 -23.171 1.00 3.80 C ATOM 1294 CD ARG A 84 -27.086 -27.826 -22.721 1.00 4.57 C ATOM 1295 NE ARG A 84 -28.446 -27.509 -22.280 1.00 5.32 N ATOM 1296 CZ ARG A 84 -29.330 -28.415 -21.868 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -29.024 -29.710 -21.894 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -30.532 -28.027 -21.461 1.00 7.09 N ATOM 0 H ARG A 84 -27.414 -23.289 -23.640 1.00 2.19 H new ATOM 0 HA ARG A 84 -25.297 -24.913 -24.776 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -27.964 -25.270 -23.548 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -27.622 -26.383 -24.858 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -25.404 -26.890 -23.669 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -26.041 -26.000 -22.300 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -27.130 -28.542 -23.541 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -26.544 -28.307 -21.906 1.00 4.57 H new ATOM 0 HE ARG A 84 -28.735 -26.531 -22.289 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -28.109 -30.011 -22.230 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -29.704 -30.401 -21.577 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -30.777 -27.037 -21.464 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -31.211 -28.719 -21.145 1.00 7.09 H new ATOM 1312 N SER A 85 -25.872 -24.100 -27.122 1.00 3.58 N ATOM 1313 CA SER A 85 -26.148 -23.975 -28.542 1.00 4.69 C ATOM 1314 C SER A 85 -25.318 -24.984 -29.332 1.00 5.43 C ATOM 1315 O SER A 85 -24.429 -25.621 -28.727 1.00 5.80 O ATOM 1316 CB SER A 85 -25.861 -22.546 -29.008 1.00 5.10 C ATOM 1317 OG SER A 85 -26.427 -21.599 -28.108 1.00 4.66 O ATOM 1318 OXT SER A 85 -25.573 -25.154 -30.542 1.00 5.98 O ATOM 0 H SER A 85 -24.938 -23.799 -26.845 1.00 3.58 H new ATOM 0 HA SER A 85 -27.202 -24.189 -28.720 1.00 4.69 H new ATOM 0 HB2 SER A 85 -24.784 -22.390 -29.078 1.00 5.10 H new ATOM 0 HB3 SER A 85 -26.270 -22.395 -30.007 1.00 5.10 H new ATOM 0 HG SER A 85 -26.231 -20.692 -28.422 1.00 4.66 H new TER 1324 SER A 85