USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot -81:sc= 0.228 USER MOD Set 1.2: A 38 CYS SG : rot -159:sc= 1.74 USER MOD Set 1.3: A 41 CYS SG : rot 66:sc= -1.53 USER MOD Set 2.1: A 5 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00636) USER MOD Set 2.3: A 27 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.105) USER MOD Set 2.4: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 9 CYS SG : rot -82:sc= 0.93 USER MOD Set 3.2: A 14 THR OG1 : rot 103:sc= 0.886 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=-0.078) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00172 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-0.91) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00727 X(o=-0.0073,f=-0.0073) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.33) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.0066) USER MOD Single : A 80 MET CE :methyl -179:sc= -3.25 (180deg=-3.35) USER MOD Single : A 82 THR OG1 : rot 100:sc= 0.704 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 0:sc= 0.636 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 95:sc= 0.703 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0.0015) USER MOD Single : A 112 THR OG1 : rot 79:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.945 10.408 17.692 1.00 0.00 N ATOM 2 CA ALA A 1 -10.256 9.249 17.078 1.00 0.00 C ATOM 3 C ALA A 1 -10.923 8.842 15.786 1.00 0.00 C ATOM 4 O ALA A 1 -12.023 8.329 15.737 1.00 0.00 O ATOM 5 CB ALA A 1 -10.118 8.109 18.142 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.466 10.667 18.578 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.919 11.215 17.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.934 10.157 17.893 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.241 9.516 16.783 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.612 7.254 17.695 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.538 8.472 18.991 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.109 7.807 18.482 1.00 0.00 H new ATOM 12 N GLU A 2 -10.221 9.007 14.678 1.00 0.00 N ATOM 13 CA GLU A 2 -10.706 8.742 13.301 1.00 0.00 C ATOM 14 C GLU A 2 -9.421 8.573 12.434 1.00 0.00 C ATOM 15 O GLU A 2 -8.608 9.500 12.271 1.00 0.00 O ATOM 16 CB GLU A 2 -11.624 9.909 12.817 1.00 0.00 C ATOM 17 CG GLU A 2 -12.420 9.646 11.538 1.00 0.00 C ATOM 18 CD GLU A 2 -13.129 10.905 10.994 1.00 0.00 C ATOM 19 OE1 GLU A 2 -14.144 11.401 11.527 1.00 0.00 O ATOM 20 OE2 GLU A 2 -12.607 11.357 9.806 1.00 0.00 O ATOM 0 H GLU A 2 -9.258 9.342 14.695 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.323 7.846 13.233 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.326 10.149 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.004 10.792 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.748 9.256 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.164 8.873 11.733 1.00 0.00 H new ATOM 28 N GLU A 3 -9.241 7.409 11.793 1.00 0.00 N ATOM 29 CA GLU A 3 -7.959 7.084 11.182 1.00 0.00 C ATOM 30 C GLU A 3 -8.146 5.938 10.121 1.00 0.00 C ATOM 31 O GLU A 3 -9.113 5.202 10.054 1.00 0.00 O ATOM 32 CB GLU A 3 -6.854 6.764 12.257 1.00 0.00 C ATOM 33 CG GLU A 3 -7.092 5.510 13.088 1.00 0.00 C ATOM 34 CD GLU A 3 -5.886 5.082 13.958 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.590 5.602 15.036 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.210 3.991 13.463 1.00 0.00 O ATOM 0 H GLU A 3 -9.959 6.692 11.689 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.591 7.962 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.895 6.665 11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.771 7.616 12.932 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.952 5.677 13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.352 4.689 12.419 1.00 0.00 H new ATOM 44 N GLY A 4 -7.029 5.823 9.339 1.00 0.00 N ATOM 45 CA GLY A 4 -6.746 4.672 8.455 1.00 0.00 C ATOM 46 C GLY A 4 -6.240 3.405 9.192 1.00 0.00 C ATOM 47 O GLY A 4 -6.085 3.389 10.410 1.00 0.00 O ATOM 0 H GLY A 4 -6.301 6.537 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.653 4.420 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.000 4.971 7.718 1.00 0.00 H new ATOM 51 N GLN A 5 -6.041 2.364 8.381 1.00 0.00 N ATOM 52 CA GLN A 5 -5.985 0.981 9.012 1.00 0.00 C ATOM 53 C GLN A 5 -5.060 0.186 8.011 1.00 0.00 C ATOM 54 O GLN A 5 -5.351 -0.116 6.826 1.00 0.00 O ATOM 55 CB GLN A 5 -7.430 0.450 9.271 1.00 0.00 C ATOM 56 CG GLN A 5 -8.277 0.154 7.960 1.00 0.00 C ATOM 57 CD GLN A 5 -9.770 0.454 7.987 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.387 0.749 8.983 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.426 0.388 6.866 1.00 0.00 N ATOM 0 H GLN A 5 -5.922 2.405 7.369 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.559 0.907 10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.365 -0.466 9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.967 1.180 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.837 0.725 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.153 -0.901 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.939 0.142 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.427 0.582 6.849 1.00 0.00 H new ATOM 68 N VAL A 6 -3.943 -0.229 8.610 1.00 0.00 N ATOM 69 CA VAL A 6 -2.870 -1.108 8.062 1.00 0.00 C ATOM 70 C VAL A 6 -3.073 -2.560 8.546 1.00 0.00 C ATOM 71 O VAL A 6 -2.874 -2.887 9.723 1.00 0.00 O ATOM 72 CB VAL A 6 -1.488 -0.588 8.382 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.366 -1.454 7.770 1.00 0.00 C ATOM 74 CG2 VAL A 6 -1.142 0.892 8.138 1.00 0.00 C ATOM 0 H VAL A 6 -3.734 0.055 9.567 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.948 -1.100 6.975 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.540 -0.668 9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.604 -1.032 8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.437 -2.470 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.471 -1.473 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.107 1.076 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.271 1.126 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.803 1.523 8.733 1.00 0.00 H new ATOM 84 N ILE A 7 -3.257 -3.431 7.556 1.00 0.00 N ATOM 85 CA ILE A 7 -3.651 -4.842 7.710 1.00 0.00 C ATOM 86 C ILE A 7 -2.582 -5.655 6.790 1.00 0.00 C ATOM 87 O ILE A 7 -2.406 -5.336 5.615 1.00 0.00 O ATOM 88 CB ILE A 7 -5.207 -5.050 7.479 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.797 -6.188 8.323 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.661 -5.162 6.004 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.252 -7.627 8.111 1.00 0.00 C ATOM 0 H ILE A 7 -3.132 -3.167 6.579 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.581 -5.247 8.719 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.625 -4.108 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.654 -5.931 9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.872 -6.211 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.741 -5.302 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.394 -4.250 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.168 -6.014 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.769 -8.314 8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.420 -7.931 7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.184 -7.647 8.326 1.00 0.00 H new ATOM 103 N ALA A 8 -2.016 -6.673 7.460 1.00 0.00 N ATOM 104 CA ALA A 8 -1.268 -7.762 6.806 1.00 0.00 C ATOM 105 C ALA A 8 -2.135 -8.678 5.900 1.00 0.00 C ATOM 106 O ALA A 8 -3.186 -9.195 6.271 1.00 0.00 O ATOM 107 CB ALA A 8 -0.639 -8.522 8.025 1.00 0.00 C ATOM 0 H ALA A 8 -2.064 -6.765 8.475 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.529 -7.389 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.051 -9.365 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.005 -7.843 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.434 -8.887 8.676 1.00 0.00 H new ATOM 113 N CYS A 9 -1.492 -8.985 4.743 1.00 0.00 N ATOM 114 CA CYS A 9 -2.057 -9.706 3.579 1.00 0.00 C ATOM 115 C CYS A 9 -0.972 -10.695 3.066 1.00 0.00 C ATOM 116 O CYS A 9 0.247 -10.528 3.232 1.00 0.00 O ATOM 117 CB CYS A 9 -2.364 -8.702 2.475 1.00 0.00 C ATOM 118 SG CYS A 9 -3.828 -7.622 2.844 1.00 0.00 S ATOM 0 H CYS A 9 -0.518 -8.722 4.593 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.968 -10.235 3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.489 -8.072 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.545 -9.241 1.545 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.922 -8.257 2.546 1.00 0.00 H new ATOM 124 N HIS A 10 -1.564 -11.822 2.648 1.00 0.00 N ATOM 125 CA HIS A 10 -0.910 -13.137 2.553 1.00 0.00 C ATOM 126 C HIS A 10 -1.210 -13.907 1.199 1.00 0.00 C ATOM 127 O HIS A 10 -0.358 -14.564 0.695 1.00 0.00 O ATOM 128 CB HIS A 10 -1.202 -13.990 3.830 1.00 0.00 C ATOM 129 CG HIS A 10 -0.643 -13.301 5.084 1.00 0.00 C ATOM 130 ND1 HIS A 10 -1.420 -12.868 6.166 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.764 -13.072 5.336 1.00 0.00 C ATOM 132 CE1 HIS A 10 -0.448 -12.335 6.980 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.881 -12.414 6.589 1.00 0.00 N ATOM 0 H HIS A 10 -2.541 -11.846 2.357 1.00 0.00 H new ATOM 0 HA HIS A 10 0.164 -12.957 2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.277 -14.136 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.755 -14.979 3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.580 -13.352 4.686 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.716 -11.861 7.912 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.718 -12.087 7.072 1.00 0.00 H new ATOM 141 N THR A 11 -2.413 -13.875 0.603 1.00 0.00 N ATOM 142 CA THR A 11 -2.876 -14.848 -0.445 1.00 0.00 C ATOM 143 C THR A 11 -3.927 -14.139 -1.363 1.00 0.00 C ATOM 144 O THR A 11 -4.128 -12.935 -1.288 1.00 0.00 O ATOM 145 CB THR A 11 -3.413 -16.151 0.190 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.618 -15.876 0.927 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.459 -16.941 1.150 1.00 0.00 C ATOM 0 H THR A 11 -3.114 -13.169 0.827 1.00 0.00 H new ATOM 0 HA THR A 11 -2.032 -15.153 -1.064 1.00 0.00 H new ATOM 0 HB THR A 11 -3.557 -16.795 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.954 -16.706 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.969 -17.831 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.561 -17.237 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.182 -16.306 1.992 1.00 0.00 H new ATOM 155 N VAL A 12 -4.667 -14.923 -2.195 1.00 0.00 N ATOM 156 CA VAL A 12 -5.996 -14.504 -2.823 1.00 0.00 C ATOM 157 C VAL A 12 -7.106 -13.949 -1.865 1.00 0.00 C ATOM 158 O VAL A 12 -8.019 -13.216 -2.338 1.00 0.00 O ATOM 159 CB VAL A 12 -6.505 -15.698 -3.668 1.00 0.00 C ATOM 160 CG1 VAL A 12 -6.944 -16.970 -2.908 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.646 -15.379 -4.616 1.00 0.00 C ATOM 0 H VAL A 12 -4.378 -15.864 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.783 -13.624 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.581 -15.905 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.277 -17.724 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.103 -17.360 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.763 -16.725 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.929 -16.280 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.501 -15.015 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.328 -14.612 -5.323 1.00 0.00 H new ATOM 171 N ASP A 13 -7.045 -14.141 -0.557 1.00 0.00 N ATOM 172 CA ASP A 13 -7.735 -13.265 0.394 1.00 0.00 C ATOM 173 C ASP A 13 -7.576 -11.729 0.235 1.00 0.00 C ATOM 174 O ASP A 13 -8.568 -10.978 0.343 1.00 0.00 O ATOM 175 CB ASP A 13 -7.357 -13.584 1.866 1.00 0.00 C ATOM 176 CG ASP A 13 -8.173 -14.735 2.515 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.923 -15.954 2.324 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.159 -14.272 3.334 1.00 0.00 O ATOM 0 H ASP A 13 -6.522 -14.900 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.770 -13.501 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.298 -13.841 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.490 -12.682 2.464 1.00 0.00 H new ATOM 184 N THR A 14 -6.334 -11.304 0.056 1.00 0.00 N ATOM 185 CA THR A 14 -6.003 -9.876 -0.416 1.00 0.00 C ATOM 186 C THR A 14 -6.618 -9.400 -1.727 1.00 0.00 C ATOM 187 O THR A 14 -7.129 -8.266 -1.732 1.00 0.00 O ATOM 188 CB THR A 14 -4.545 -9.486 -0.237 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.364 -8.115 -0.020 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.530 -9.811 -1.329 1.00 0.00 C ATOM 0 H THR A 14 -5.513 -11.887 0.216 1.00 0.00 H new ATOM 0 HA THR A 14 -6.567 -9.283 0.305 1.00 0.00 H new ATOM 0 HB THR A 14 -4.337 -10.129 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.188 -7.955 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.544 -9.458 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.497 -10.889 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.823 -9.318 -2.256 1.00 0.00 H new ATOM 198 N TRP A 15 -6.623 -10.250 -2.750 1.00 0.00 N ATOM 199 CA TRP A 15 -7.325 -10.032 -4.021 1.00 0.00 C ATOM 200 C TRP A 15 -8.905 -9.691 -3.840 1.00 0.00 C ATOM 201 O TRP A 15 -9.386 -8.745 -4.494 1.00 0.00 O ATOM 202 CB TRP A 15 -7.281 -11.302 -4.874 1.00 0.00 C ATOM 203 CG TRP A 15 -6.174 -11.312 -5.898 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.057 -12.165 -5.940 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.219 -10.687 -7.155 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.336 -12.041 -7.153 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.106 -11.190 -7.902 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.173 -9.869 -7.836 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.833 -10.693 -9.173 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -6.938 -9.458 -9.124 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.784 -9.851 -9.776 1.00 0.00 C ATOM 0 H TRP A 15 -6.124 -11.139 -2.721 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.814 -9.187 -4.482 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.164 -12.165 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.237 -11.418 -5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.781 -12.837 -5.141 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.452 -12.481 -7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.083 -9.573 -7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.915 -10.947 -9.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.655 -8.827 -9.629 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.607 -9.500 -10.782 1.00 0.00 H new ATOM 222 N LYS A 16 -9.663 -10.326 -2.892 1.00 0.00 N ATOM 223 CA LYS A 16 -10.943 -9.804 -2.425 1.00 0.00 C ATOM 224 C LYS A 16 -10.790 -8.420 -1.620 1.00 0.00 C ATOM 225 O LYS A 16 -11.546 -7.489 -1.916 1.00 0.00 O ATOM 226 CB LYS A 16 -11.683 -10.840 -1.568 1.00 0.00 C ATOM 227 CG LYS A 16 -11.972 -12.172 -2.271 1.00 0.00 C ATOM 228 CD LYS A 16 -12.812 -13.191 -1.439 1.00 0.00 C ATOM 229 CE LYS A 16 -12.106 -13.848 -0.231 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.077 -14.469 0.718 1.00 0.00 N ATOM 0 H LYS A 16 -9.388 -11.203 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.535 -9.596 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.092 -11.039 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.627 -10.408 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.498 -11.966 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.023 -12.638 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.704 -12.681 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.148 -13.983 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.411 -14.609 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.515 -13.098 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.560 -14.897 1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.724 -13.740 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.624 -15.203 0.224 1.00 0.00 H new ATOM 243 N GLU A 17 -9.931 -8.262 -0.584 1.00 0.00 N ATOM 244 CA GLU A 17 -9.662 -6.958 0.086 1.00 0.00 C ATOM 245 C GLU A 17 -9.291 -5.695 -0.787 1.00 0.00 C ATOM 246 O GLU A 17 -10.087 -4.715 -0.806 1.00 0.00 O ATOM 247 CB GLU A 17 -8.599 -7.183 1.190 1.00 0.00 C ATOM 248 CG GLU A 17 -8.868 -8.226 2.331 1.00 0.00 C ATOM 249 CD GLU A 17 -7.823 -8.468 3.378 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.471 -7.588 4.190 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.312 -9.730 3.401 1.00 0.00 O ATOM 0 H GLU A 17 -9.401 -9.037 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.640 -6.667 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.673 -7.475 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.416 -6.220 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.779 -7.919 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.079 -9.183 1.854 1.00 0.00 H new ATOM 259 N HIS A 18 -8.141 -5.735 -1.488 1.00 0.00 N ATOM 260 CA HIS A 18 -7.638 -4.690 -2.399 1.00 0.00 C ATOM 261 C HIS A 18 -8.630 -4.232 -3.507 1.00 0.00 C ATOM 262 O HIS A 18 -8.950 -3.011 -3.555 1.00 0.00 O ATOM 263 CB HIS A 18 -6.331 -5.254 -3.050 1.00 0.00 C ATOM 264 CG HIS A 18 -5.403 -4.389 -3.888 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.694 -3.571 -4.958 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.003 -4.671 -3.938 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.450 -3.332 -5.478 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.403 -3.947 -4.927 1.00 0.00 N ATOM 0 H HIS A 18 -7.509 -6.534 -1.431 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.471 -3.790 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.729 -5.664 -2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.631 -6.092 -3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.491 -5.361 -3.284 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.320 -2.661 -6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.416 -3.891 -5.178 1.00 0.00 H new ATOM 276 N PHE A 19 -9.091 -5.170 -4.325 1.00 0.00 N ATOM 277 CA PHE A 19 -10.069 -4.922 -5.487 1.00 0.00 C ATOM 278 C PHE A 19 -11.459 -4.278 -5.043 1.00 0.00 C ATOM 279 O PHE A 19 -11.773 -3.238 -5.583 1.00 0.00 O ATOM 280 CB PHE A 19 -10.204 -6.203 -6.299 1.00 0.00 C ATOM 281 CG PHE A 19 -10.896 -6.104 -7.680 1.00 0.00 C ATOM 282 CD1 PHE A 19 -10.131 -5.843 -8.815 1.00 0.00 C ATOM 283 CD2 PHE A 19 -12.281 -6.284 -7.842 1.00 0.00 C ATOM 284 CE1 PHE A 19 -10.726 -5.834 -10.086 1.00 0.00 C ATOM 285 CE2 PHE A 19 -12.870 -6.278 -9.123 1.00 0.00 C ATOM 286 CZ PHE A 19 -12.091 -6.095 -10.231 1.00 0.00 C ATOM 0 H PHE A 19 -8.821 -6.150 -4.237 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.650 -4.150 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.205 -6.611 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.755 -6.926 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.074 -5.646 -8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.904 -6.429 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.125 -5.624 -10.958 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.936 -6.418 -9.229 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.529 -6.152 -11.216 1.00 0.00 H new ATOM 296 N GLU A 20 -12.186 -4.908 -4.061 1.00 0.00 N ATOM 297 CA GLU A 20 -13.514 -4.460 -3.437 1.00 0.00 C ATOM 298 C GLU A 20 -13.446 -3.062 -2.850 1.00 0.00 C ATOM 299 O GLU A 20 -14.416 -2.332 -3.016 1.00 0.00 O ATOM 300 CB GLU A 20 -14.053 -5.590 -2.450 1.00 0.00 C ATOM 301 CG GLU A 20 -14.367 -6.968 -3.085 1.00 0.00 C ATOM 302 CD GLU A 20 -15.535 -6.919 -4.053 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.418 -6.704 -5.271 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.745 -7.219 -3.407 1.00 0.00 O ATOM 0 H GLU A 20 -11.860 -5.784 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.263 -4.356 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.313 -5.737 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.959 -5.221 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.483 -7.331 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.587 -7.685 -2.294 1.00 0.00 H new ATOM 312 N LYS A 21 -12.453 -2.740 -2.036 1.00 0.00 N ATOM 313 CA LYS A 21 -12.107 -1.326 -1.583 1.00 0.00 C ATOM 314 C LYS A 21 -11.826 -0.332 -2.787 1.00 0.00 C ATOM 315 O LYS A 21 -12.548 0.631 -2.960 1.00 0.00 O ATOM 316 CB LYS A 21 -10.985 -1.175 -0.543 1.00 0.00 C ATOM 317 CG LYS A 21 -11.192 -1.898 0.827 1.00 0.00 C ATOM 318 CD LYS A 21 -12.312 -1.238 1.680 1.00 0.00 C ATOM 319 CE LYS A 21 -12.515 -1.943 3.057 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.463 -1.534 3.999 1.00 0.00 N ATOM 0 H LYS A 21 -11.828 -3.443 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.028 -1.051 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.060 -1.544 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.843 -0.112 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.443 -2.944 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.257 -1.885 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.066 -0.189 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.249 -1.261 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.494 -1.689 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.495 -3.025 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.629 -1.984 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.535 -1.828 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.479 -0.500 4.110 1.00 0.00 H new ATOM 333 N GLY A 22 -10.779 -0.648 -3.586 1.00 0.00 N ATOM 334 CA GLY A 22 -10.408 0.139 -4.798 1.00 0.00 C ATOM 335 C GLY A 22 -11.544 0.646 -5.718 1.00 0.00 C ATOM 336 O GLY A 22 -12.238 1.670 -5.560 1.00 0.00 O ATOM 0 H GLY A 22 -10.169 -1.448 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.834 1.006 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.740 -0.475 -5.402 1.00 0.00 H new ATOM 340 N LYS A 23 -11.885 -0.237 -6.695 1.00 0.00 N ATOM 341 CA LYS A 23 -13.209 -0.253 -7.376 1.00 0.00 C ATOM 342 C LYS A 23 -14.219 -0.818 -6.377 1.00 0.00 C ATOM 343 O LYS A 23 -14.432 -2.029 -6.159 1.00 0.00 O ATOM 344 CB LYS A 23 -13.289 -1.021 -8.700 1.00 0.00 C ATOM 345 CG LYS A 23 -14.588 -0.785 -9.443 1.00 0.00 C ATOM 346 CD LYS A 23 -14.884 -1.724 -10.633 1.00 0.00 C ATOM 347 CE LYS A 23 -13.826 -1.820 -11.752 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.555 -0.509 -12.459 1.00 0.00 N ATOM 0 H LYS A 23 -11.249 -0.959 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.420 0.775 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.454 -0.726 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.178 -2.087 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.408 -0.869 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.589 0.241 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.045 -2.727 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.823 -1.406 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.894 -2.190 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.155 -2.556 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.835 -0.654 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.433 -0.163 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.211 0.191 -11.772 1.00 0.00 H new ATOM 361 N GLY A 24 -14.869 0.158 -5.787 1.00 0.00 N ATOM 362 CA GLY A 24 -16.154 -0.160 -5.078 1.00 0.00 C ATOM 363 C GLY A 24 -16.576 0.934 -4.031 1.00 0.00 C ATOM 364 O GLY A 24 -17.702 1.301 -3.813 1.00 0.00 O ATOM 0 H GLY A 24 -14.578 1.135 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.949 -0.273 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.052 -1.119 -4.570 1.00 0.00 H new ATOM 368 N SER A 25 -15.491 1.250 -3.219 1.00 0.00 N ATOM 369 CA SER A 25 -15.434 2.198 -2.072 1.00 0.00 C ATOM 370 C SER A 25 -14.721 3.508 -2.506 1.00 0.00 C ATOM 371 O SER A 25 -13.482 3.473 -2.721 1.00 0.00 O ATOM 372 CB SER A 25 -14.918 1.491 -0.769 1.00 0.00 C ATOM 373 OG SER A 25 -15.599 0.337 -0.464 1.00 0.00 O ATOM 0 H SER A 25 -14.585 0.809 -3.376 1.00 0.00 H new ATOM 0 HA SER A 25 -16.433 2.523 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.860 1.258 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.001 2.184 0.068 1.00 0.00 H new ATOM 0 HG SER A 25 -15.229 -0.054 0.355 1.00 0.00 H new ATOM 379 N GLN A 26 -15.469 4.621 -2.339 1.00 0.00 N ATOM 380 CA GLN A 26 -15.105 6.048 -2.624 1.00 0.00 C ATOM 381 C GLN A 26 -14.019 6.599 -1.636 1.00 0.00 C ATOM 382 O GLN A 26 -14.423 7.345 -0.726 1.00 0.00 O ATOM 383 CB GLN A 26 -16.409 6.901 -2.715 1.00 0.00 C ATOM 384 CG GLN A 26 -17.105 6.735 -4.046 1.00 0.00 C ATOM 385 CD GLN A 26 -17.853 5.416 -4.364 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.781 5.005 -3.668 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.433 4.761 -5.485 1.00 0.00 N ATOM 0 H GLN A 26 -16.419 4.552 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.614 6.116 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.088 6.611 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.165 7.952 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.825 7.548 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.356 6.880 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.660 5.135 -6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.893 3.897 -5.773 1.00 0.00 H new ATOM 396 N LYS A 27 -12.767 6.117 -1.794 1.00 0.00 N ATOM 397 CA LYS A 27 -11.579 6.427 -1.015 1.00 0.00 C ATOM 398 C LYS A 27 -10.309 6.076 -1.878 1.00 0.00 C ATOM 399 O LYS A 27 -10.326 5.448 -2.947 1.00 0.00 O ATOM 400 CB LYS A 27 -11.677 5.622 0.306 1.00 0.00 C ATOM 401 CG LYS A 27 -11.521 4.028 0.200 1.00 0.00 C ATOM 402 CD LYS A 27 -11.418 3.266 1.530 1.00 0.00 C ATOM 403 CE LYS A 27 -12.751 3.379 2.326 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.774 2.376 3.369 1.00 0.00 N ATOM 0 H LYS A 27 -12.559 5.447 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.497 7.483 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.911 5.993 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.642 5.838 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.374 3.636 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.631 3.809 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.189 2.218 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.597 3.668 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.845 4.374 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.600 3.243 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.524 2.603 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.959 1.443 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.855 2.361 3.856 1.00 0.00 H new ATOM 417 N LEU A 28 -9.163 6.425 -1.242 1.00 0.00 N ATOM 418 CA LEU A 28 -7.778 6.062 -1.637 1.00 0.00 C ATOM 419 C LEU A 28 -7.361 4.754 -0.892 1.00 0.00 C ATOM 420 O LEU A 28 -7.826 4.391 0.196 1.00 0.00 O ATOM 421 CB LEU A 28 -6.834 7.283 -1.390 1.00 0.00 C ATOM 422 CG LEU A 28 -5.368 7.202 -1.880 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.207 7.080 -3.435 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.480 8.282 -1.140 1.00 0.00 C ATOM 0 H LEU A 28 -9.180 6.996 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.705 5.840 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.291 8.154 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.813 7.473 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.954 6.240 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.148 7.029 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.707 6.176 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.654 7.950 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.452 8.213 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.870 9.278 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.506 8.100 -0.066 1.00 0.00 H new ATOM 436 N ILE A 29 -6.482 3.938 -1.425 1.00 0.00 N ATOM 437 CA ILE A 29 -6.007 2.624 -0.939 1.00 0.00 C ATOM 438 C ILE A 29 -4.468 2.672 -1.464 1.00 0.00 C ATOM 439 O ILE A 29 -3.997 3.135 -2.489 1.00 0.00 O ATOM 440 CB ILE A 29 -6.812 1.318 -1.267 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.722 0.600 -2.638 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.314 1.423 -0.817 1.00 0.00 C ATOM 443 CD1 ILE A 29 -7.109 -0.822 -2.653 1.00 0.00 C ATOM 0 H ILE A 29 -6.023 4.186 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.147 2.517 0.137 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.213 0.638 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.354 1.135 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.697 0.680 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.833 0.497 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.361 1.590 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.791 2.255 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.006 -1.217 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.463 -1.382 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.145 -0.921 -2.329 1.00 0.00 H new ATOM 455 N VAL A 30 -3.575 2.228 -0.548 1.00 0.00 N ATOM 456 CA VAL A 30 -2.104 2.394 -0.671 1.00 0.00 C ATOM 457 C VAL A 30 -1.357 1.154 -0.060 1.00 0.00 C ATOM 458 O VAL A 30 -1.602 0.799 1.070 1.00 0.00 O ATOM 459 CB VAL A 30 -1.379 3.718 -0.286 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.127 3.870 -0.826 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.089 4.998 -0.734 1.00 0.00 C ATOM 0 H VAL A 30 -3.855 1.741 0.303 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.029 2.471 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.389 3.618 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.535 4.827 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.739 3.060 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.129 3.826 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.508 5.865 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.186 5.000 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.080 5.042 -0.282 1.00 0.00 H new ATOM 471 N VAL A 31 -0.537 0.472 -0.879 1.00 0.00 N ATOM 472 CA VAL A 31 -0.212 -0.916 -0.736 1.00 0.00 C ATOM 473 C VAL A 31 1.329 -1.158 -1.039 1.00 0.00 C ATOM 474 O VAL A 31 1.806 -1.348 -2.154 1.00 0.00 O ATOM 475 CB VAL A 31 -1.152 -1.797 -1.597 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.459 -1.518 -3.059 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.708 -3.270 -1.577 1.00 0.00 C ATOM 0 H VAL A 31 -0.078 0.908 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.379 -1.219 0.298 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.070 -1.525 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.143 -2.277 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.920 -0.535 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.534 -1.541 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.387 -3.863 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.304 -3.350 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.726 -3.642 -0.552 1.00 0.00 H new ATOM 487 N ASP A 32 2.082 -1.437 0.050 1.00 0.00 N ATOM 488 CA ASP A 32 3.426 -2.069 0.001 1.00 0.00 C ATOM 489 C ASP A 32 3.538 -3.540 -0.534 1.00 0.00 C ATOM 490 O ASP A 32 2.662 -4.414 -0.482 1.00 0.00 O ATOM 491 CB ASP A 32 4.043 -2.002 1.479 1.00 0.00 C ATOM 492 CG ASP A 32 5.583 -1.906 1.665 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.055 -1.956 2.792 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.267 -1.569 0.500 1.00 0.00 O ATOM 0 H ASP A 32 1.772 -1.228 0.999 1.00 0.00 H new ATOM 0 HA ASP A 32 3.972 -1.496 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.600 -1.140 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.705 -2.889 2.014 1.00 0.00 H new ATOM 500 N PHE A 33 4.687 -3.782 -1.131 1.00 0.00 N ATOM 501 CA PHE A 33 5.016 -5.013 -1.826 1.00 0.00 C ATOM 502 C PHE A 33 6.502 -5.061 -1.231 1.00 0.00 C ATOM 503 O PHE A 33 7.320 -4.183 -1.550 1.00 0.00 O ATOM 504 CB PHE A 33 4.911 -4.954 -3.381 1.00 0.00 C ATOM 505 CG PHE A 33 3.437 -5.114 -3.772 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.838 -6.383 -3.935 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.693 -3.970 -4.147 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.480 -6.512 -4.125 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.363 -4.117 -4.461 1.00 0.00 C ATOM 510 CZ PHE A 33 0.757 -5.376 -4.412 1.00 0.00 C ATOM 0 H PHE A 33 5.447 -3.102 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 33 4.373 -5.881 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.301 -4.006 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.511 -5.744 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.456 -7.268 -3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.162 -2.998 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.997 -7.475 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.782 -3.253 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.303 -5.459 -4.604 1.00 0.00 H new ATOM 520 N THR A 34 6.672 -6.055 -0.283 1.00 0.00 N ATOM 521 CA THR A 34 7.907 -6.142 0.517 1.00 0.00 C ATOM 522 C THR A 34 8.042 -7.679 0.951 1.00 0.00 C ATOM 523 O THR A 34 7.079 -8.312 1.497 1.00 0.00 O ATOM 524 CB THR A 34 8.087 -5.283 1.830 1.00 0.00 C ATOM 525 OG1 THR A 34 9.418 -5.448 2.303 1.00 0.00 O ATOM 526 CG2 THR A 34 7.129 -5.525 2.955 1.00 0.00 C ATOM 0 H THR A 34 5.979 -6.775 -0.076 1.00 0.00 H new ATOM 0 HA THR A 34 8.664 -5.721 -0.145 1.00 0.00 H new ATOM 0 HB THR A 34 7.861 -4.264 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.485 -6.287 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.373 -4.866 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.113 -5.322 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.203 -6.563 3.279 1.00 0.00 H new ATOM 534 N ALA A 35 9.218 -8.061 0.995 1.00 0.00 N ATOM 535 CA ALA A 35 9.670 -9.210 1.694 1.00 0.00 C ATOM 536 C ALA A 35 9.800 -8.996 3.308 1.00 0.00 C ATOM 537 O ALA A 35 10.297 -7.995 3.795 1.00 0.00 O ATOM 538 CB ALA A 35 10.889 -9.816 0.954 1.00 0.00 C ATOM 0 H ALA A 35 9.971 -7.564 0.519 1.00 0.00 H new ATOM 0 HA ALA A 35 8.901 -9.982 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.238 -10.699 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.597 -10.097 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.691 -9.079 0.909 1.00 0.00 H new ATOM 544 N SER A 36 9.555 -10.046 4.102 1.00 0.00 N ATOM 545 CA SER A 36 9.967 -10.082 5.578 1.00 0.00 C ATOM 546 C SER A 36 11.474 -9.782 5.862 1.00 0.00 C ATOM 547 O SER A 36 11.815 -9.078 6.778 1.00 0.00 O ATOM 548 CB SER A 36 9.503 -11.435 6.110 1.00 0.00 C ATOM 549 OG SER A 36 9.661 -11.306 7.498 1.00 0.00 O ATOM 0 H SER A 36 9.080 -10.891 3.785 1.00 0.00 H new ATOM 0 HA SER A 36 9.487 -9.259 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.467 -11.640 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.104 -12.252 5.711 1.00 0.00 H new ATOM 0 HG SER A 36 9.383 -12.137 7.937 1.00 0.00 H new ATOM 555 N TRP A 37 12.363 -10.402 5.139 1.00 0.00 N ATOM 556 CA TRP A 37 13.789 -10.088 5.022 1.00 0.00 C ATOM 557 C TRP A 37 14.097 -8.665 4.345 1.00 0.00 C ATOM 558 O TRP A 37 14.789 -8.498 3.320 1.00 0.00 O ATOM 559 CB TRP A 37 14.561 -11.289 4.317 1.00 0.00 C ATOM 560 CG TRP A 37 14.012 -11.721 2.906 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.057 -12.763 2.701 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.514 -11.451 1.621 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.916 -13.097 1.324 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.837 -12.232 0.697 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.467 -10.558 1.106 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.040 -12.120 -0.734 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.777 -10.541 -0.263 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.076 -11.301 -1.160 1.00 0.00 C ATOM 0 H TRP A 37 12.106 -11.205 4.565 1.00 0.00 H new ATOM 0 HA TRP A 37 14.173 -9.981 6.037 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.609 -11.009 4.208 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.530 -12.155 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.506 -13.242 3.497 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.301 -13.790 0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.969 -9.873 1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.414 -12.650 -1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.584 -9.916 -0.615 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.332 -11.263 -2.209 1.00 0.00 H new ATOM 579 N CYS A 38 13.844 -7.638 5.156 1.00 0.00 N ATOM 580 CA CYS A 38 13.989 -6.185 4.719 1.00 0.00 C ATOM 581 C CYS A 38 14.006 -5.314 5.973 1.00 0.00 C ATOM 582 O CYS A 38 12.989 -4.675 6.296 1.00 0.00 O ATOM 583 CB CYS A 38 12.900 -5.769 3.656 1.00 0.00 C ATOM 584 SG CYS A 38 12.964 -3.994 3.124 1.00 0.00 S ATOM 0 H CYS A 38 13.537 -7.749 6.122 1.00 0.00 H new ATOM 0 HA CYS A 38 14.931 -6.040 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.013 -6.401 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.913 -5.973 4.070 1.00 0.00 H new ATOM 0 HG CYS A 38 11.813 -3.647 2.629 1.00 0.00 H new ATOM 590 N PRO A 39 15.150 -5.068 6.756 1.00 0.00 N ATOM 591 CA PRO A 39 15.323 -4.042 7.824 1.00 0.00 C ATOM 592 C PRO A 39 14.838 -2.523 7.530 1.00 0.00 C ATOM 593 O PRO A 39 14.065 -1.963 8.363 1.00 0.00 O ATOM 594 CB PRO A 39 16.690 -4.232 8.397 1.00 0.00 C ATOM 595 CG PRO A 39 17.098 -5.678 8.086 1.00 0.00 C ATOM 596 CD PRO A 39 16.368 -5.920 6.786 1.00 0.00 C ATOM 0 HA PRO A 39 14.574 -4.224 8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.396 -3.527 7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.688 -4.053 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.177 -5.786 7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.785 -6.370 8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.014 -5.685 5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.096 -6.972 6.696 1.00 0.00 H new ATOM 604 N PRO A 40 15.083 -1.966 6.360 1.00 0.00 N ATOM 605 CA PRO A 40 14.432 -0.740 5.859 1.00 0.00 C ATOM 606 C PRO A 40 12.832 -0.680 5.771 1.00 0.00 C ATOM 607 O PRO A 40 12.222 0.225 6.279 1.00 0.00 O ATOM 608 CB PRO A 40 15.201 -0.481 4.497 1.00 0.00 C ATOM 609 CG PRO A 40 16.574 -1.157 4.675 1.00 0.00 C ATOM 610 CD PRO A 40 16.305 -2.322 5.556 1.00 0.00 C ATOM 0 HA PRO A 40 14.523 0.063 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.659 -0.906 3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.309 0.586 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.989 -1.471 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.296 -0.476 5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.135 -3.224 4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.155 -2.522 6.208 1.00 0.00 H new ATOM 618 N CYS A 41 12.207 -1.741 5.249 1.00 0.00 N ATOM 619 CA CYS A 41 10.745 -2.138 5.500 1.00 0.00 C ATOM 620 C CYS A 41 10.256 -2.632 6.931 1.00 0.00 C ATOM 621 O CYS A 41 9.094 -2.458 7.324 1.00 0.00 O ATOM 622 CB CYS A 41 10.040 -2.842 4.283 1.00 0.00 C ATOM 623 SG CYS A 41 10.467 -1.941 2.756 1.00 0.00 S ATOM 0 H CYS A 41 12.682 -2.388 4.620 1.00 0.00 H new ATOM 0 HA CYS A 41 10.347 -1.126 5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.361 -3.881 4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.960 -2.851 4.426 1.00 0.00 H new ATOM 0 HG CYS A 41 11.739 -2.068 2.518 1.00 0.00 H new ATOM 629 N LYS A 42 11.220 -3.213 7.751 1.00 0.00 N ATOM 630 CA LYS A 42 11.051 -3.277 9.225 1.00 0.00 C ATOM 631 C LYS A 42 10.651 -1.990 9.929 1.00 0.00 C ATOM 632 O LYS A 42 9.590 -1.866 10.547 1.00 0.00 O ATOM 633 CB LYS A 42 12.102 -4.271 9.888 1.00 0.00 C ATOM 634 CG LYS A 42 11.653 -5.016 11.212 1.00 0.00 C ATOM 635 CD LYS A 42 12.794 -5.985 11.643 1.00 0.00 C ATOM 636 CE LYS A 42 12.412 -6.826 12.893 1.00 0.00 C ATOM 637 NZ LYS A 42 11.853 -8.099 12.522 1.00 0.00 N ATOM 0 H LYS A 42 12.088 -3.625 7.407 1.00 0.00 H new ATOM 0 HA LYS A 42 10.101 -3.769 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.367 -5.026 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.009 -3.708 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.450 -4.294 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.730 -5.570 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.031 -6.654 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.695 -5.410 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.296 -6.982 13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.693 -6.274 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.609 -8.634 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.996 -7.949 11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.549 -8.635 11.966 1.00 0.00 H new ATOM 650 N MET A 43 11.454 -0.963 9.788 1.00 0.00 N ATOM 651 CA MET A 43 11.116 0.466 10.112 1.00 0.00 C ATOM 652 C MET A 43 9.916 1.159 9.376 1.00 0.00 C ATOM 653 O MET A 43 9.188 1.949 10.012 1.00 0.00 O ATOM 654 CB MET A 43 12.424 1.316 10.289 1.00 0.00 C ATOM 655 CG MET A 43 13.239 1.803 9.110 1.00 0.00 C ATOM 656 SD MET A 43 14.823 2.440 9.726 1.00 0.00 S ATOM 657 CE MET A 43 15.849 2.662 8.248 1.00 0.00 C ATOM 0 H MET A 43 12.405 -1.068 9.433 1.00 0.00 H new ATOM 0 HA MET A 43 10.619 0.410 11.081 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.147 2.200 10.864 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.097 0.728 10.913 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.407 0.990 8.404 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.700 2.584 8.574 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.827 3.046 8.538 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.971 1.704 7.742 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.367 3.370 7.573 1.00 0.00 H new ATOM 667 N ILE A 44 9.730 0.896 8.084 1.00 0.00 N ATOM 668 CA ILE A 44 8.563 1.282 7.286 1.00 0.00 C ATOM 669 C ILE A 44 7.149 0.704 7.784 1.00 0.00 C ATOM 670 O ILE A 44 6.158 1.354 7.529 1.00 0.00 O ATOM 671 CB ILE A 44 8.760 1.284 5.775 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.443 2.693 5.085 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.048 0.128 4.958 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.454 3.788 5.487 1.00 0.00 C ATOM 0 H ILE A 44 10.421 0.383 7.537 1.00 0.00 H new ATOM 0 HA ILE A 44 8.485 2.344 7.520 1.00 0.00 H new ATOM 0 HB ILE A 44 9.829 1.078 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.453 2.574 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.438 3.012 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.268 0.244 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.415 -0.839 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.971 0.183 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.194 4.723 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.426 3.930 6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.457 3.485 5.186 1.00 0.00 H new ATOM 686 N ALA A 45 7.028 -0.428 8.592 1.00 0.00 N ATOM 687 CA ALA A 45 5.809 -0.905 9.250 1.00 0.00 C ATOM 688 C ALA A 45 5.242 0.139 10.298 1.00 0.00 C ATOM 689 O ALA A 45 4.133 0.661 10.101 1.00 0.00 O ATOM 690 CB ALA A 45 6.032 -2.388 9.570 1.00 0.00 C ATOM 0 H ALA A 45 7.828 -1.030 8.786 1.00 0.00 H new ATOM 0 HA ALA A 45 4.908 -0.930 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.147 -2.791 10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.213 -2.936 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.894 -2.492 10.229 1.00 0.00 H new ATOM 696 N PRO A 46 5.985 0.536 11.343 1.00 0.00 N ATOM 697 CA PRO A 46 5.675 1.766 12.119 1.00 0.00 C ATOM 698 C PRO A 46 5.483 3.175 11.358 1.00 0.00 C ATOM 699 O PRO A 46 4.601 3.848 11.789 1.00 0.00 O ATOM 700 CB PRO A 46 6.782 1.818 13.215 1.00 0.00 C ATOM 701 CG PRO A 46 7.395 0.410 13.190 1.00 0.00 C ATOM 702 CD PRO A 46 7.148 -0.210 11.854 1.00 0.00 C ATOM 0 HA PRO A 46 4.655 1.664 12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.527 2.582 12.994 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.364 2.054 14.194 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.466 0.463 13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.956 -0.205 13.976 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.012 -0.107 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.937 -1.276 11.938 1.00 0.00 H new ATOM 710 N ILE A 47 6.274 3.567 10.340 1.00 0.00 N ATOM 711 CA ILE A 47 6.025 4.712 9.408 1.00 0.00 C ATOM 712 C ILE A 47 4.643 4.739 8.706 1.00 0.00 C ATOM 713 O ILE A 47 3.928 5.746 8.831 1.00 0.00 O ATOM 714 CB ILE A 47 7.217 4.959 8.390 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.573 5.378 9.167 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.992 6.017 7.261 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.665 6.507 10.185 1.00 0.00 C ATOM 0 H ILE A 47 7.145 3.081 10.126 1.00 0.00 H new ATOM 0 HA ILE A 47 5.988 5.564 10.087 1.00 0.00 H new ATOM 0 HB ILE A 47 7.288 3.991 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.919 4.480 9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.307 5.607 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.886 6.083 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.144 5.717 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.789 6.990 7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.687 6.579 10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.384 7.448 9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.990 6.303 11.016 1.00 0.00 H new ATOM 729 N PHE A 48 4.379 3.668 8.001 1.00 0.00 N ATOM 730 CA PHE A 48 3.072 3.390 7.348 1.00 0.00 C ATOM 731 C PHE A 48 1.812 3.431 8.291 1.00 0.00 C ATOM 732 O PHE A 48 0.827 4.113 7.922 1.00 0.00 O ATOM 733 CB PHE A 48 3.254 2.037 6.529 1.00 0.00 C ATOM 734 CG PHE A 48 2.283 1.698 5.359 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.119 2.551 4.276 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.743 0.383 5.333 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.471 2.038 3.144 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.109 -0.106 4.161 1.00 0.00 C ATOM 739 CZ PHE A 48 0.982 0.733 3.076 1.00 0.00 C ATOM 0 H PHE A 48 5.067 2.931 7.846 1.00 0.00 H new ATOM 0 HA PHE A 48 2.824 4.210 6.674 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.265 2.038 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.200 1.216 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.477 3.570 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.815 -0.246 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.345 2.682 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.733 -1.118 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.504 0.381 2.174 1.00 0.00 H new ATOM 749 N ALA A 49 1.885 2.862 9.503 1.00 0.00 N ATOM 750 CA ALA A 49 0.940 3.148 10.624 1.00 0.00 C ATOM 751 C ALA A 49 0.901 4.643 11.172 1.00 0.00 C ATOM 752 O ALA A 49 -0.242 5.089 11.494 1.00 0.00 O ATOM 753 CB ALA A 49 1.170 2.170 11.790 1.00 0.00 C ATOM 0 H ALA A 49 2.604 2.182 9.748 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.040 3.003 10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.472 2.395 12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.009 1.149 11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.192 2.273 12.155 1.00 0.00 H new ATOM 759 N GLU A 50 2.044 5.348 11.413 1.00 0.00 N ATOM 760 CA GLU A 50 2.038 6.788 11.780 1.00 0.00 C ATOM 761 C GLU A 50 1.184 7.757 10.868 1.00 0.00 C ATOM 762 O GLU A 50 0.240 8.487 11.288 1.00 0.00 O ATOM 763 CB GLU A 50 3.517 7.257 12.017 1.00 0.00 C ATOM 764 CG GLU A 50 3.600 8.636 12.667 1.00 0.00 C ATOM 765 CD GLU A 50 5.007 9.272 12.829 1.00 0.00 C ATOM 766 OE1 GLU A 50 6.074 8.656 12.736 1.00 0.00 O ATOM 767 OE2 GLU A 50 4.882 10.609 13.214 1.00 0.00 O ATOM 0 H GLU A 50 2.977 4.940 11.359 1.00 0.00 H new ATOM 0 HA GLU A 50 1.476 6.867 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.028 6.530 12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.045 7.277 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.987 9.321 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.146 8.569 13.656 1.00 0.00 H new ATOM 775 N LEU A 51 1.543 7.751 9.578 1.00 0.00 N ATOM 776 CA LEU A 51 0.822 8.378 8.512 1.00 0.00 C ATOM 777 C LEU A 51 -0.683 7.928 8.355 1.00 0.00 C ATOM 778 O LEU A 51 -1.413 8.946 8.177 1.00 0.00 O ATOM 779 CB LEU A 51 1.690 8.129 7.250 1.00 0.00 C ATOM 780 CG LEU A 51 1.209 8.505 5.836 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.205 7.509 5.162 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.622 9.938 5.777 1.00 0.00 C ATOM 0 H LEU A 51 2.388 7.280 9.255 1.00 0.00 H new ATOM 0 HA LEU A 51 0.690 9.441 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.633 8.652 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.917 7.063 7.231 1.00 0.00 H new ATOM 0 HG LEU A 51 2.127 8.447 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.063 7.877 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.672 6.528 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.693 7.428 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.297 10.156 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.229 10.011 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.385 10.656 6.076 1.00 0.00 H new ATOM 794 N ALA A 52 -1.114 6.657 8.526 1.00 0.00 N ATOM 795 CA ALA A 52 -2.539 6.270 8.760 1.00 0.00 C ATOM 796 C ALA A 52 -3.361 6.980 9.887 1.00 0.00 C ATOM 797 O ALA A 52 -4.540 7.318 9.731 1.00 0.00 O ATOM 798 CB ALA A 52 -2.631 4.717 8.897 1.00 0.00 C ATOM 0 H ALA A 52 -0.481 5.857 8.506 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.042 6.654 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.668 4.428 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.270 4.249 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.020 4.389 9.738 1.00 0.00 H new ATOM 804 N LYS A 53 -2.678 7.121 11.019 1.00 0.00 N ATOM 805 CA LYS A 53 -3.100 7.946 12.179 1.00 0.00 C ATOM 806 C LYS A 53 -3.260 9.448 11.859 1.00 0.00 C ATOM 807 O LYS A 53 -4.234 10.039 12.302 1.00 0.00 O ATOM 808 CB LYS A 53 -2.229 7.819 13.482 1.00 0.00 C ATOM 809 CG LYS A 53 -2.211 6.432 14.057 1.00 0.00 C ATOM 810 CD LYS A 53 -1.258 6.245 15.221 1.00 0.00 C ATOM 811 CE LYS A 53 -1.220 4.785 15.651 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.198 4.626 16.670 1.00 0.00 N ATOM 0 H LYS A 53 -1.784 6.655 11.173 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.072 7.501 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.207 8.124 13.258 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.610 8.510 14.233 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.219 6.175 14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.943 5.729 13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.258 6.572 14.936 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.571 6.869 16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.192 4.480 16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.004 4.145 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.162 3.632 16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.726 4.904 16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.425 5.229 17.487 1.00 0.00 H new ATOM 825 N LYS A 54 -2.306 10.014 11.135 1.00 0.00 N ATOM 826 CA LYS A 54 -2.384 11.400 10.535 1.00 0.00 C ATOM 827 C LYS A 54 -3.667 11.665 9.612 1.00 0.00 C ATOM 828 O LYS A 54 -4.098 12.792 9.534 1.00 0.00 O ATOM 829 CB LYS A 54 -1.011 11.670 9.762 1.00 0.00 C ATOM 830 CG LYS A 54 -0.630 13.122 9.549 1.00 0.00 C ATOM 831 CD LYS A 54 0.728 13.221 8.762 1.00 0.00 C ATOM 832 CE LYS A 54 1.914 12.732 9.521 1.00 0.00 C ATOM 833 NZ LYS A 54 3.181 12.999 8.835 1.00 0.00 N ATOM 0 H LYS A 54 -1.427 9.540 10.926 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.519 12.114 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.207 11.184 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.067 11.185 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.417 13.634 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.538 13.626 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.642 12.649 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.896 14.260 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.931 13.206 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.816 11.659 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.969 12.637 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.181 12.525 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.293 14.024 8.700 1.00 0.00 H new ATOM 846 N PHE A 55 -4.064 10.639 8.822 1.00 0.00 N ATOM 847 CA PHE A 55 -4.763 10.769 7.521 1.00 0.00 C ATOM 848 C PHE A 55 -5.943 9.675 7.469 1.00 0.00 C ATOM 849 O PHE A 55 -5.779 8.526 7.029 1.00 0.00 O ATOM 850 CB PHE A 55 -3.735 10.691 6.325 1.00 0.00 C ATOM 851 CG PHE A 55 -3.206 12.017 5.779 1.00 0.00 C ATOM 852 CD1 PHE A 55 -4.014 12.774 4.955 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.909 12.447 6.074 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.595 14.059 4.530 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.469 13.701 5.579 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.281 14.472 4.747 1.00 0.00 C ATOM 0 H PHE A 55 -3.901 9.666 9.081 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.230 11.748 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.883 10.094 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.209 10.152 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.969 12.386 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.251 11.833 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.294 14.719 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.489 14.065 5.851 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.900 15.369 4.281 1.00 0.00 H new ATOM 866 N PRO A 56 -7.169 9.979 7.879 1.00 0.00 N ATOM 867 CA PRO A 56 -8.438 9.157 7.730 1.00 0.00 C ATOM 868 C PRO A 56 -9.044 8.741 6.297 1.00 0.00 C ATOM 869 O PRO A 56 -9.730 7.728 6.292 1.00 0.00 O ATOM 870 CB PRO A 56 -9.573 9.887 8.499 1.00 0.00 C ATOM 871 CG PRO A 56 -9.124 11.304 8.324 1.00 0.00 C ATOM 872 CD PRO A 56 -7.595 11.344 8.259 1.00 0.00 C ATOM 0 HA PRO A 56 -8.091 8.196 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.556 9.703 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.626 9.591 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.550 11.723 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.481 11.916 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.254 12.077 7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.171 11.632 9.221 1.00 0.00 H new ATOM 880 N ASN A 57 -8.885 9.484 5.199 1.00 0.00 N ATOM 881 CA ASN A 57 -9.418 9.269 3.838 1.00 0.00 C ATOM 882 C ASN A 57 -8.962 7.985 3.102 1.00 0.00 C ATOM 883 O ASN A 57 -9.288 7.859 1.881 1.00 0.00 O ATOM 884 CB ASN A 57 -9.307 10.517 2.985 1.00 0.00 C ATOM 885 CG ASN A 57 -7.885 11.033 2.608 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.171 10.608 1.699 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.285 11.923 3.430 1.00 0.00 N ATOM 0 H ASN A 57 -8.326 10.336 5.237 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.475 9.066 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.851 10.335 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.825 11.322 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.314 12.191 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.803 12.326 4.210 1.00 0.00 H new ATOM 894 N VAL A 58 -8.166 7.089 3.776 1.00 0.00 N ATOM 895 CA VAL A 58 -7.176 6.208 3.112 1.00 0.00 C ATOM 896 C VAL A 58 -6.998 4.819 3.830 1.00 0.00 C ATOM 897 O VAL A 58 -6.341 4.668 4.861 1.00 0.00 O ATOM 898 CB VAL A 58 -5.876 7.100 2.882 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.235 7.891 4.042 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.858 6.299 2.103 1.00 0.00 C ATOM 0 H VAL A 58 -8.202 6.968 4.788 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.512 5.859 2.135 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.276 7.947 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.362 8.431 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.959 8.600 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.930 7.201 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.965 6.904 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.593 5.403 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.280 6.012 1.140 1.00 0.00 H new ATOM 910 N THR A 59 -7.513 3.708 3.222 1.00 0.00 N ATOM 911 CA THR A 59 -7.108 2.313 3.521 1.00 0.00 C ATOM 912 C THR A 59 -5.603 1.991 3.100 1.00 0.00 C ATOM 913 O THR A 59 -4.949 2.480 2.177 1.00 0.00 O ATOM 914 CB THR A 59 -8.184 1.305 3.085 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.448 1.587 3.668 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.969 -0.203 3.190 1.00 0.00 C ATOM 0 H THR A 59 -8.232 3.766 2.501 1.00 0.00 H new ATOM 0 HA THR A 59 -7.065 2.193 4.603 1.00 0.00 H new ATOM 0 HB THR A 59 -8.115 1.492 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.103 0.925 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.856 -0.723 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.108 -0.491 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.790 -0.473 4.231 1.00 0.00 H new ATOM 924 N PHE A 60 -5.068 0.947 3.808 1.00 0.00 N ATOM 925 CA PHE A 60 -3.640 0.520 3.765 1.00 0.00 C ATOM 926 C PHE A 60 -3.525 -0.985 3.978 1.00 0.00 C ATOM 927 O PHE A 60 -4.075 -1.619 4.857 1.00 0.00 O ATOM 928 CB PHE A 60 -2.812 1.274 4.872 1.00 0.00 C ATOM 929 CG PHE A 60 -2.722 2.786 4.762 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.937 3.393 3.782 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.501 3.588 5.587 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.839 4.797 3.735 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.379 4.988 5.530 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.556 5.612 4.605 1.00 0.00 C ATOM 0 H PHE A 60 -5.632 0.372 4.434 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.238 0.770 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.245 1.031 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.798 0.874 4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.406 2.788 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.201 3.135 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.189 5.254 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.942 5.593 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.475 6.688 4.562 1.00 0.00 H new ATOM 944 N LEU A 61 -2.694 -1.598 3.184 1.00 0.00 N ATOM 945 CA LEU A 61 -2.493 -3.084 3.122 1.00 0.00 C ATOM 946 C LEU A 61 -1.065 -3.331 2.603 1.00 0.00 C ATOM 947 O LEU A 61 -0.326 -2.512 2.080 1.00 0.00 O ATOM 948 CB LEU A 61 -3.662 -3.724 2.372 1.00 0.00 C ATOM 949 CG LEU A 61 -3.703 -3.731 0.820 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.080 -4.956 0.077 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.058 -3.435 0.216 1.00 0.00 C ATOM 0 H LEU A 61 -2.101 -1.093 2.526 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.529 -3.589 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.722 -4.762 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.571 -3.229 2.714 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.028 -2.894 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.183 -4.819 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.024 -5.038 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.598 -5.866 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.986 -3.462 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.777 -4.183 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.389 -2.446 0.533 1.00 0.00 H new ATOM 963 N LYS A 62 -0.640 -4.546 2.929 1.00 0.00 N ATOM 964 CA LYS A 62 0.793 -4.970 2.817 1.00 0.00 C ATOM 965 C LYS A 62 0.904 -6.434 2.504 1.00 0.00 C ATOM 966 O LYS A 62 0.552 -7.421 3.225 1.00 0.00 O ATOM 967 CB LYS A 62 1.675 -4.460 4.026 1.00 0.00 C ATOM 968 CG LYS A 62 1.507 -5.202 5.392 1.00 0.00 C ATOM 969 CD LYS A 62 2.125 -4.538 6.663 1.00 0.00 C ATOM 970 CE LYS A 62 3.633 -4.488 6.845 1.00 0.00 C ATOM 971 NZ LYS A 62 4.215 -5.808 7.123 1.00 0.00 N ATOM 0 H LYS A 62 -1.258 -5.278 3.279 1.00 0.00 H new ATOM 0 HA LYS A 62 1.235 -4.466 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.723 -4.525 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.454 -3.405 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.440 -5.338 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.942 -6.196 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.761 -3.511 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.712 -5.054 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.090 -4.076 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.874 -3.810 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.245 -5.716 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.802 -6.193 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.011 -6.451 6.331 1.00 0.00 H new ATOM 984 N VAL A 63 1.348 -6.716 1.269 1.00 0.00 N ATOM 985 CA VAL A 63 1.564 -8.009 0.617 1.00 0.00 C ATOM 986 C VAL A 63 3.042 -8.539 0.822 1.00 0.00 C ATOM 987 O VAL A 63 4.077 -7.910 0.425 1.00 0.00 O ATOM 988 CB VAL A 63 1.225 -7.791 -0.888 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.533 -9.087 -1.646 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.286 -7.591 -1.144 1.00 0.00 C ATOM 0 H VAL A 63 1.590 -5.954 0.635 1.00 0.00 H new ATOM 0 HA VAL A 63 0.928 -8.779 1.055 1.00 0.00 H new ATOM 0 HB VAL A 63 1.796 -6.917 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.302 -8.954 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.589 -9.332 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.927 -9.898 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.458 -7.444 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.832 -8.472 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.635 -6.716 -0.596 1.00 0.00 H new ATOM 1000 N ASP A 64 3.101 -9.739 1.480 1.00 0.00 N ATOM 1001 CA ASP A 64 4.304 -10.635 1.591 1.00 0.00 C ATOM 1002 C ASP A 64 4.615 -11.189 0.198 1.00 0.00 C ATOM 1003 O ASP A 64 3.956 -12.182 -0.242 1.00 0.00 O ATOM 1004 CB ASP A 64 4.003 -11.617 2.796 1.00 0.00 C ATOM 1005 CG ASP A 64 5.282 -12.480 3.083 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.323 -12.033 3.623 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.096 -13.817 2.698 1.00 0.00 O ATOM 0 H ASP A 64 2.289 -10.123 1.963 1.00 0.00 H new ATOM 0 HA ASP A 64 5.252 -10.169 1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.725 -11.049 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.159 -12.263 2.553 1.00 0.00 H new ATOM 1013 N VAL A 65 5.633 -10.630 -0.466 1.00 0.00 N ATOM 1014 CA VAL A 65 6.218 -10.948 -1.767 1.00 0.00 C ATOM 1015 C VAL A 65 6.617 -12.432 -1.978 1.00 0.00 C ATOM 1016 O VAL A 65 6.253 -13.019 -3.046 1.00 0.00 O ATOM 1017 CB VAL A 65 7.245 -9.839 -2.227 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.677 -10.240 -1.889 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.948 -9.187 -3.600 1.00 0.00 C ATOM 0 H VAL A 65 6.127 -9.843 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 65 5.414 -10.889 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 65 7.086 -8.950 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.361 -9.458 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.772 -10.376 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.923 -11.173 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.711 -8.441 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.954 -9.953 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.969 -8.708 -3.571 1.00 0.00 H new ATOM 1029 N ASP A 66 7.217 -13.120 -0.947 1.00 0.00 N ATOM 1030 CA ASP A 66 7.566 -14.586 -0.912 1.00 0.00 C ATOM 1031 C ASP A 66 6.355 -15.516 -1.320 1.00 0.00 C ATOM 1032 O ASP A 66 6.410 -16.146 -2.368 1.00 0.00 O ATOM 1033 CB ASP A 66 8.123 -15.019 0.495 1.00 0.00 C ATOM 1034 CG ASP A 66 9.538 -14.422 0.868 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.529 -14.844 0.332 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.492 -13.392 1.809 1.00 0.00 O ATOM 0 H ASP A 66 7.481 -12.648 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 66 8.350 -14.719 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.406 -14.720 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.185 -16.107 0.525 1.00 0.00 H new ATOM 1042 N GLU A 67 5.280 -15.371 -0.572 1.00 0.00 N ATOM 1043 CA GLU A 67 3.889 -15.772 -1.029 1.00 0.00 C ATOM 1044 C GLU A 67 3.189 -15.251 -2.369 1.00 0.00 C ATOM 1045 O GLU A 67 2.361 -15.909 -2.994 1.00 0.00 O ATOM 1046 CB GLU A 67 2.920 -15.659 0.112 1.00 0.00 C ATOM 1047 CG GLU A 67 3.344 -16.507 1.381 1.00 0.00 C ATOM 1048 CD GLU A 67 2.261 -16.449 2.440 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.992 -15.465 3.190 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.502 -17.662 2.480 1.00 0.00 O ATOM 0 H GLU A 67 5.304 -14.978 0.369 1.00 0.00 H new ATOM 0 HA GLU A 67 4.141 -16.777 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.827 -14.611 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.936 -15.986 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.523 -17.542 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.280 -16.123 1.787 1.00 0.00 H new ATOM 1058 N LEU A 68 3.489 -14.002 -2.805 1.00 0.00 N ATOM 1059 CA LEU A 68 2.720 -13.195 -3.761 1.00 0.00 C ATOM 1060 C LEU A 68 3.586 -12.277 -4.703 1.00 0.00 C ATOM 1061 O LEU A 68 3.318 -11.090 -5.019 1.00 0.00 O ATOM 1062 CB LEU A 68 1.555 -12.343 -3.076 1.00 0.00 C ATOM 1063 CG LEU A 68 0.327 -13.084 -2.426 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.649 -12.037 -1.903 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.456 -13.998 -3.342 1.00 0.00 C ATOM 0 H LEU A 68 4.321 -13.512 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 68 2.262 -13.949 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.013 -11.729 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.162 -11.662 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 68 0.760 -13.718 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.507 -12.534 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.152 -11.417 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.987 -11.411 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.276 -14.453 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.857 -13.421 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.201 -14.779 -3.725 1.00 0.00 H new ATOM 1077 N LYS A 69 4.583 -12.904 -5.252 1.00 0.00 N ATOM 1078 CA LYS A 69 5.487 -12.401 -6.319 1.00 0.00 C ATOM 1079 C LYS A 69 4.941 -12.303 -7.754 1.00 0.00 C ATOM 1080 O LYS A 69 5.102 -11.258 -8.424 1.00 0.00 O ATOM 1081 CB LYS A 69 6.916 -12.993 -6.322 1.00 0.00 C ATOM 1082 CG LYS A 69 6.928 -14.544 -6.412 1.00 0.00 C ATOM 1083 CD LYS A 69 8.254 -15.259 -6.340 1.00 0.00 C ATOM 1084 CE LYS A 69 8.825 -15.317 -4.857 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.007 -16.264 -4.722 1.00 0.00 N ATOM 0 H LYS A 69 4.829 -13.852 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 69 5.549 -11.367 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.473 -12.581 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.434 -12.683 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.301 -14.928 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.450 -14.825 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.139 -16.273 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.973 -14.754 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.129 -14.316 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.032 -15.632 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.341 -16.265 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.714 -17.225 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.776 -15.951 -5.348 1.00 0.00 H new ATOM 1098 N ALA A 70 4.349 -13.375 -8.301 1.00 0.00 N ATOM 1099 CA ALA A 70 3.702 -13.365 -9.651 1.00 0.00 C ATOM 1100 C ALA A 70 2.693 -12.175 -9.905 1.00 0.00 C ATOM 1101 O ALA A 70 2.952 -11.400 -10.786 1.00 0.00 O ATOM 1102 CB ALA A 70 2.991 -14.703 -9.805 1.00 0.00 C ATOM 0 H ALA A 70 4.297 -14.279 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 70 4.484 -13.211 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.501 -14.745 -10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.718 -15.512 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.244 -14.811 -9.018 1.00 0.00 H new ATOM 1108 N VAL A 71 1.724 -12.046 -8.966 1.00 0.00 N ATOM 1109 CA VAL A 71 0.842 -10.891 -8.789 1.00 0.00 C ATOM 1110 C VAL A 71 1.409 -9.490 -8.429 1.00 0.00 C ATOM 1111 O VAL A 71 0.972 -8.648 -9.173 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.365 -11.242 -7.862 1.00 0.00 C ATOM 1113 CG1 VAL A 71 0.031 -11.351 -6.326 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.535 -10.192 -8.061 1.00 0.00 C ATOM 0 H VAL A 71 1.536 -12.783 -8.286 1.00 0.00 H new ATOM 0 HA VAL A 71 0.555 -10.726 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.708 -12.233 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.854 -11.597 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.780 -12.132 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.438 -10.399 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.370 -10.449 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.174 -9.194 -7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.867 -10.210 -9.099 1.00 0.00 H new ATOM 1124 N ALA A 72 2.327 -9.381 -7.455 1.00 0.00 N ATOM 1125 CA ALA A 72 3.118 -8.127 -7.325 1.00 0.00 C ATOM 1126 C ALA A 72 3.600 -7.555 -8.668 1.00 0.00 C ATOM 1127 O ALA A 72 3.258 -6.420 -8.992 1.00 0.00 O ATOM 1128 CB ALA A 72 4.391 -8.300 -6.461 1.00 0.00 C ATOM 0 H ALA A 72 2.541 -10.105 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 72 2.410 -7.445 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.924 -7.351 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.109 -8.618 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.037 -9.053 -6.912 1.00 0.00 H new ATOM 1134 N GLU A 73 4.258 -8.423 -9.445 1.00 0.00 N ATOM 1135 CA GLU A 73 4.719 -8.127 -10.861 1.00 0.00 C ATOM 1136 C GLU A 73 3.554 -7.616 -11.757 1.00 0.00 C ATOM 1137 O GLU A 73 3.651 -6.438 -12.195 1.00 0.00 O ATOM 1138 CB GLU A 73 5.647 -9.294 -11.418 1.00 0.00 C ATOM 1139 CG GLU A 73 6.999 -9.586 -10.726 1.00 0.00 C ATOM 1140 CD GLU A 73 7.432 -11.094 -10.651 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.735 -12.158 -10.555 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.744 -11.213 -10.790 1.00 0.00 O ATOM 0 H GLU A 73 4.501 -9.363 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 73 5.391 -7.269 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.063 -10.214 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.856 -9.074 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.778 -9.032 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.956 -9.192 -9.711 1.00 0.00 H new ATOM 1150 N GLU A 74 2.389 -8.386 -11.833 1.00 0.00 N ATOM 1151 CA GLU A 74 1.074 -7.894 -12.377 1.00 0.00 C ATOM 1152 C GLU A 74 0.457 -6.534 -12.019 1.00 0.00 C ATOM 1153 O GLU A 74 0.261 -5.664 -12.892 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.003 -9.068 -12.489 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.393 -8.934 -11.589 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.491 -8.119 -12.183 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.443 -7.420 -13.223 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.510 -8.091 -11.361 1.00 0.00 O ATOM 0 H GLU A 74 2.352 -9.355 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 74 1.449 -7.568 -13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.290 -9.160 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.488 -10.000 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.776 -9.937 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.134 -8.504 -10.621 1.00 0.00 H new ATOM 1166 N TRP A 75 0.369 -6.166 -10.751 1.00 0.00 N ATOM 1167 CA TRP A 75 0.000 -4.804 -10.234 1.00 0.00 C ATOM 1168 C TRP A 75 0.921 -3.678 -10.793 1.00 0.00 C ATOM 1169 O TRP A 75 0.353 -2.793 -11.483 1.00 0.00 O ATOM 1170 CB TRP A 75 0.034 -4.709 -8.705 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.950 -5.487 -8.015 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.611 -6.553 -7.159 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.359 -5.614 -8.232 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.768 -7.219 -6.669 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.789 -6.667 -7.299 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.291 -4.942 -9.061 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.015 -7.280 -7.558 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.538 -5.530 -9.117 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.848 -6.735 -8.427 1.00 0.00 C ATOM 0 H TRP A 75 0.558 -6.823 -9.994 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.022 -4.659 -10.585 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.021 -5.017 -8.362 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.090 -3.664 -8.421 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.402 -6.830 -6.906 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.802 -7.967 -5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.045 -4.042 -9.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.282 -8.195 -7.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.309 -5.057 -9.708 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.794 -7.219 -8.620 1.00 0.00 H new ATOM 1190 N ASN A 76 2.265 -3.858 -10.648 1.00 0.00 N ATOM 1191 CA ASN A 76 3.432 -3.290 -11.486 1.00 0.00 C ATOM 1192 C ASN A 76 4.706 -3.261 -10.478 1.00 0.00 C ATOM 1193 O ASN A 76 5.147 -2.192 -10.001 1.00 0.00 O ATOM 1194 CB ASN A 76 3.223 -1.977 -12.289 1.00 0.00 C ATOM 1195 CG ASN A 76 4.330 -1.381 -13.145 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.117 -0.655 -12.511 1.00 0.00 O ATOM 1197 ND2 ASN A 76 4.480 -1.745 -14.424 1.00 0.00 N ATOM 0 H ASN A 76 2.619 -4.445 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 76 3.573 -3.948 -12.344 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.369 -2.141 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.931 -1.210 -11.571 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.289 -1.423 -14.954 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.785 -2.345 -14.868 1.00 0.00 H new ATOM 1204 N VAL A 77 5.387 -4.370 -10.293 1.00 0.00 N ATOM 1205 CA VAL A 77 6.419 -4.588 -9.305 1.00 0.00 C ATOM 1206 C VAL A 77 7.407 -5.461 -9.931 1.00 0.00 C ATOM 1207 O VAL A 77 7.509 -6.721 -9.829 1.00 0.00 O ATOM 1208 CB VAL A 77 5.896 -5.166 -7.927 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.968 -5.414 -6.729 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.793 -4.410 -7.230 1.00 0.00 C ATOM 0 H VAL A 77 5.223 -5.197 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 77 6.853 -3.630 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 77 5.556 -6.107 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.452 -5.811 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.724 -6.127 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.448 -4.470 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.535 -4.918 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.130 -3.397 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.916 -4.368 -7.876 1.00 0.00 H new ATOM 1220 N GLU A 78 8.462 -4.811 -10.337 1.00 0.00 N ATOM 1221 CA GLU A 78 9.751 -5.339 -10.659 1.00 0.00 C ATOM 1222 C GLU A 78 10.849 -5.481 -9.433 1.00 0.00 C ATOM 1223 O GLU A 78 11.857 -6.149 -9.662 1.00 0.00 O ATOM 1224 CB GLU A 78 10.366 -4.583 -11.925 1.00 0.00 C ATOM 1225 CG GLU A 78 10.681 -3.056 -11.723 1.00 0.00 C ATOM 1226 CD GLU A 78 9.675 -2.092 -11.032 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.557 -2.092 -9.750 1.00 0.00 O ATOM 1228 OE2 GLU A 78 8.847 -1.548 -12.005 1.00 0.00 O ATOM 0 H GLU A 78 8.433 -3.799 -10.461 1.00 0.00 H new ATOM 0 HA GLU A 78 9.547 -6.382 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.287 -5.089 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.671 -4.684 -12.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.611 -2.999 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.884 -2.643 -12.711 1.00 0.00 H new ATOM 1236 N ALA A 79 10.573 -4.767 -8.217 1.00 0.00 N ATOM 1237 CA ALA A 79 11.579 -4.528 -7.137 1.00 0.00 C ATOM 1238 C ALA A 79 11.009 -4.256 -5.704 1.00 0.00 C ATOM 1239 O ALA A 79 10.033 -3.653 -5.609 1.00 0.00 O ATOM 1240 CB ALA A 79 12.421 -3.327 -7.564 1.00 0.00 C ATOM 0 H ALA A 79 9.657 -4.370 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 79 12.142 -5.456 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.170 -3.118 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.917 -3.548 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.777 -2.457 -7.688 1.00 0.00 H new ATOM 1246 N MET A 80 11.902 -4.532 -4.801 1.00 0.00 N ATOM 1247 CA MET A 80 11.794 -4.186 -3.352 1.00 0.00 C ATOM 1248 C MET A 80 12.081 -2.622 -3.192 1.00 0.00 C ATOM 1249 O MET A 80 13.279 -2.422 -3.238 1.00 0.00 O ATOM 1250 CB MET A 80 12.730 -5.008 -2.486 1.00 0.00 C ATOM 1251 CG MET A 80 12.325 -6.540 -2.565 1.00 0.00 C ATOM 1252 SD MET A 80 10.853 -7.348 -1.677 1.00 0.00 S ATOM 1253 CE MET A 80 9.312 -6.918 -2.714 1.00 0.00 C ATOM 0 H MET A 80 12.768 -5.021 -5.026 1.00 0.00 H new ATOM 0 HA MET A 80 10.788 -4.424 -3.006 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.759 -4.876 -2.820 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.683 -4.662 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.184 -6.754 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.206 -7.095 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.426 -7.342 -2.242 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.206 -5.835 -2.777 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.422 -7.331 -3.717 1.00 0.00 H new ATOM 1263 N PRO A 81 11.270 -1.836 -2.554 1.00 0.00 N ATOM 1264 CA PRO A 81 9.831 -2.234 -2.348 1.00 0.00 C ATOM 1265 C PRO A 81 8.849 -0.978 -2.501 1.00 0.00 C ATOM 1266 O PRO A 81 9.206 0.185 -2.597 1.00 0.00 O ATOM 1267 CB PRO A 81 9.982 -2.523 -0.783 1.00 0.00 C ATOM 1268 CG PRO A 81 11.060 -1.538 -0.275 1.00 0.00 C ATOM 1269 CD PRO A 81 11.701 -0.856 -1.577 1.00 0.00 C ATOM 0 HA PRO A 81 9.443 -3.006 -3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.036 -2.369 -0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.280 -3.556 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.621 -0.786 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.821 -2.061 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.306 0.141 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.785 -0.763 -1.518 1.00 0.00 H new ATOM 1277 N THR A 82 7.681 -1.346 -2.990 1.00 0.00 N ATOM 1278 CA THR A 82 6.998 -0.778 -4.055 1.00 0.00 C ATOM 1279 C THR A 82 5.627 -0.515 -3.388 1.00 0.00 C ATOM 1280 O THR A 82 4.925 -1.333 -2.754 1.00 0.00 O ATOM 1281 CB THR A 82 6.809 -1.683 -5.304 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.138 -1.717 -5.839 1.00 0.00 O ATOM 1283 CG2 THR A 82 5.998 -1.210 -6.470 1.00 0.00 C ATOM 0 H THR A 82 7.167 -2.129 -2.587 1.00 0.00 H new ATOM 0 HA THR A 82 7.534 0.077 -4.466 1.00 0.00 H new ATOM 0 HB THR A 82 6.292 -2.574 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.574 -2.555 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.984 -1.981 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.978 -1.004 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.440 -0.300 -6.876 1.00 0.00 H new ATOM 1291 N PHE A 83 5.142 0.568 -3.784 1.00 0.00 N ATOM 1292 CA PHE A 83 3.975 1.391 -3.142 1.00 0.00 C ATOM 1293 C PHE A 83 3.136 1.730 -4.393 1.00 0.00 C ATOM 1294 O PHE A 83 3.493 2.671 -5.091 1.00 0.00 O ATOM 1295 CB PHE A 83 4.458 2.620 -2.266 1.00 0.00 C ATOM 1296 CG PHE A 83 5.122 2.358 -0.885 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.469 1.739 0.083 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.515 2.531 -0.831 1.00 0.00 C ATOM 1299 CE1 PHE A 83 5.214 1.264 1.168 1.00 0.00 C ATOM 1300 CE2 PHE A 83 7.214 2.008 0.270 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.596 1.409 1.329 1.00 0.00 C ATOM 0 H PHE A 83 5.504 1.026 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 83 3.400 0.858 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.166 3.192 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.593 3.261 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.398 1.605 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.037 3.054 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.677 0.742 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.291 2.084 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.125 1.077 2.210 1.00 0.00 H new ATOM 1311 N ILE A 84 1.943 1.245 -4.431 1.00 0.00 N ATOM 1312 CA ILE A 84 0.813 1.309 -5.450 1.00 0.00 C ATOM 1313 C ILE A 84 -0.351 2.050 -4.782 1.00 0.00 C ATOM 1314 O ILE A 84 -0.630 1.860 -3.583 1.00 0.00 O ATOM 1315 CB ILE A 84 0.557 -0.124 -6.097 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.866 -0.338 -6.991 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.609 -0.249 -7.023 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.126 -1.789 -7.316 1.00 0.00 C ATOM 0 H ILE A 84 1.632 0.689 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 84 1.040 1.894 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 84 0.351 -0.832 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.761 0.224 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.729 0.072 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.671 -1.272 -7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.526 0.000 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.481 0.434 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.027 -1.870 -7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.261 -2.350 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.278 -2.196 -7.867 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.840 2.897 -5.640 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.818 3.979 -5.360 1.00 0.00 C ATOM 1332 C PHE A 85 -2.929 3.495 -6.348 1.00 0.00 C ATOM 1333 O PHE A 85 -3.031 3.730 -7.533 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.212 5.344 -5.755 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.124 5.766 -4.827 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.128 5.127 -4.800 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.367 6.693 -3.865 1.00 0.00 C ATOM 1338 CE1 PHE A 85 2.028 5.320 -3.777 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.657 7.092 -2.949 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.771 6.375 -2.834 1.00 0.00 C ATOM 0 H PHE A 85 -0.568 2.873 -6.623 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.144 4.127 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.819 5.285 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.997 6.100 -5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.392 4.462 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.349 7.136 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.904 4.696 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.525 7.980 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.475 6.583 -2.041 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.985 3.016 -5.693 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.228 2.471 -6.225 1.00 0.00 C ATOM 1352 C LEU A 86 -6.368 3.186 -5.434 1.00 0.00 C ATOM 1353 O LEU A 86 -6.380 3.152 -4.209 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.304 0.922 -6.166 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.006 0.010 -7.156 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.435 0.331 -7.460 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.216 -0.217 -8.503 1.00 0.00 C ATOM 0 H LEU A 86 -3.989 2.999 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.314 2.666 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.269 0.581 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.741 0.689 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.017 -0.923 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.825 -0.390 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.022 0.283 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.501 1.334 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.787 -0.880 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.066 0.740 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.248 -0.668 -8.285 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.374 3.581 -6.174 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.467 4.422 -5.745 1.00 0.00 C ATOM 1371 C LYS A 87 -9.798 3.926 -6.412 1.00 0.00 C ATOM 1372 O LYS A 87 -9.790 3.039 -7.304 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.040 5.796 -6.411 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.959 7.002 -6.052 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.392 8.387 -6.574 1.00 0.00 C ATOM 1376 CE LYS A 87 -8.939 9.636 -5.808 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.684 10.853 -6.575 1.00 0.00 N ATOM 0 H LYS A 87 -7.458 3.307 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.635 4.452 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.020 6.030 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.030 5.673 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.949 6.837 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.081 7.050 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.305 8.374 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.634 8.490 -7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.009 9.525 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.464 9.708 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.052 11.675 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.660 10.965 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.158 10.787 -7.498 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.900 4.586 -6.037 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.126 4.699 -6.887 1.00 0.00 C ATOM 1392 C ASP A 88 -11.888 5.450 -8.297 1.00 0.00 C ATOM 1393 O ASP A 88 -12.547 6.450 -8.616 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.286 5.348 -6.086 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.131 6.729 -5.550 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.963 7.630 -5.760 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.028 6.941 -4.805 1.00 0.00 O ATOM 0 H ASP A 88 -10.983 5.062 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.403 3.679 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.167 5.345 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.505 4.694 -5.242 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.999 4.997 -9.100 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.689 5.418 -10.501 1.00 0.00 C ATOM 1405 C GLY A 89 -9.576 4.680 -11.216 1.00 0.00 C ATOM 1406 O GLY A 89 -8.622 5.217 -11.771 1.00 0.00 O ATOM 0 H GLY A 89 -10.381 4.241 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.598 5.315 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.437 6.478 -10.487 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.537 3.299 -11.011 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.555 2.334 -11.524 1.00 0.00 C ATOM 1412 C LYS A 90 -7.114 2.760 -10.944 1.00 0.00 C ATOM 1413 O LYS A 90 -6.994 3.354 -9.867 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.633 2.242 -13.077 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.793 1.325 -13.439 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.849 1.066 -14.973 1.00 0.00 C ATOM 1417 CE LYS A 90 -10.868 1.952 -15.662 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.940 1.966 -17.106 1.00 0.00 N ATOM 0 H LYS A 90 -10.249 2.838 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.762 1.319 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.781 3.231 -13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.699 1.853 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.689 0.377 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.730 1.772 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.864 1.241 -15.406 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.096 0.020 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.852 1.669 -15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.685 2.975 -15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.687 2.623 -17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.027 2.276 -17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.158 1.010 -17.452 1.00 0.00 H new ATOM 1431 N LEU A 91 -6.072 2.117 -11.464 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.657 2.420 -11.164 1.00 0.00 C ATOM 1433 C LEU A 91 -4.268 3.883 -11.617 1.00 0.00 C ATOM 1434 O LEU A 91 -3.921 4.185 -12.778 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.773 1.353 -11.821 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.243 1.554 -11.706 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.588 1.619 -10.312 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.576 0.385 -12.515 1.00 0.00 C ATOM 0 H LEU A 91 -6.181 1.348 -12.125 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.499 2.391 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.023 0.387 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.031 1.301 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.075 2.561 -12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.513 1.763 -10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.010 2.452 -9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.777 0.688 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.491 0.481 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.876 -0.571 -12.086 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.897 0.433 -13.555 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.396 4.781 -10.580 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.887 6.177 -10.501 1.00 0.00 C ATOM 1452 C VAL A 92 -2.349 6.298 -10.598 1.00 0.00 C ATOM 1453 O VAL A 92 -1.871 6.920 -11.539 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.676 6.839 -9.329 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -6.222 7.034 -9.658 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.575 6.442 -7.895 1.00 0.00 C ATOM 0 H VAL A 92 -4.892 4.520 -9.728 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.092 6.782 -11.384 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.051 7.732 -9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.719 7.499 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.330 7.673 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.676 6.064 -9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.234 7.070 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.870 5.398 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.547 6.567 -7.554 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.449 5.701 -9.735 1.00 0.00 N ATOM 1467 CA ASP A 93 -0.030 6.056 -9.654 1.00 0.00 C ATOM 1468 C ASP A 93 0.867 4.983 -8.935 1.00 0.00 C ATOM 1469 O ASP A 93 0.392 3.928 -8.418 1.00 0.00 O ATOM 1470 CB ASP A 93 0.063 7.502 -9.009 1.00 0.00 C ATOM 1471 CG ASP A 93 1.373 8.378 -9.266 1.00 0.00 C ATOM 1472 OD1 ASP A 93 1.601 9.017 -10.311 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.249 8.261 -8.245 1.00 0.00 O ATOM 0 H ASP A 93 -1.716 4.961 -9.086 1.00 0.00 H new ATOM 0 HA ASP A 93 0.392 6.072 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.793 8.077 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.053 7.390 -7.931 1.00 0.00 H new ATOM 1479 N LYS A 94 2.209 5.128 -9.001 1.00 0.00 N ATOM 1480 CA LYS A 94 3.210 4.138 -8.523 1.00 0.00 C ATOM 1481 C LYS A 94 4.629 4.757 -8.235 1.00 0.00 C ATOM 1482 O LYS A 94 4.997 5.792 -8.844 1.00 0.00 O ATOM 1483 CB LYS A 94 3.260 2.917 -9.429 1.00 0.00 C ATOM 1484 CG LYS A 94 3.846 3.105 -10.911 1.00 0.00 C ATOM 1485 CD LYS A 94 3.044 3.834 -12.000 1.00 0.00 C ATOM 1486 CE LYS A 94 1.600 3.345 -12.279 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.914 4.106 -13.369 1.00 0.00 N ATOM 0 H LYS A 94 2.642 5.961 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 94 2.863 3.797 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.855 2.153 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.247 2.524 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.797 3.629 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.069 2.109 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.995 4.889 -11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.606 3.768 -12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.628 2.289 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.013 3.428 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.046 3.729 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.858 5.111 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.453 4.007 -14.253 1.00 0.00 H new ATOM 1500 N THR A 95 5.281 4.221 -7.165 1.00 0.00 N ATOM 1501 CA THR A 95 6.632 4.672 -6.707 1.00 0.00 C ATOM 1502 C THR A 95 7.214 3.436 -5.845 1.00 0.00 C ATOM 1503 O THR A 95 6.508 2.534 -5.406 1.00 0.00 O ATOM 1504 CB THR A 95 6.756 6.008 -5.930 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.213 7.027 -6.744 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.059 6.543 -5.223 1.00 0.00 C ATOM 0 H THR A 95 4.890 3.469 -6.597 1.00 0.00 H new ATOM 0 HA THR A 95 7.201 4.924 -7.602 1.00 0.00 H new ATOM 0 HB THR A 95 6.231 5.720 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.892 6.638 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.851 7.506 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.377 5.832 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.851 6.661 -5.962 1.00 0.00 H new ATOM 1514 N VAL A 96 8.500 3.427 -5.744 1.00 0.00 N ATOM 1515 CA VAL A 96 9.347 2.336 -5.206 1.00 0.00 C ATOM 1516 C VAL A 96 10.500 2.998 -4.369 1.00 0.00 C ATOM 1517 O VAL A 96 11.497 3.440 -4.944 1.00 0.00 O ATOM 1518 CB VAL A 96 9.752 1.234 -6.328 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.117 1.806 -7.719 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.613 0.022 -5.931 1.00 0.00 C ATOM 0 H VAL A 96 9.058 4.225 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 96 8.799 1.699 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 96 8.772 0.766 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.371 0.988 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.266 2.356 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.971 2.477 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.783 -0.605 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.570 0.368 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.096 -0.556 -5.165 1.00 0.00 H new ATOM 1530 N GLY A 97 10.213 3.097 -3.071 1.00 0.00 N ATOM 1531 CA GLY A 97 11.268 3.548 -2.112 1.00 0.00 C ATOM 1532 C GLY A 97 10.667 3.627 -0.673 1.00 0.00 C ATOM 1533 O GLY A 97 9.853 4.398 -0.269 1.00 0.00 O ATOM 0 H GLY A 97 9.306 2.886 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.109 2.855 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.653 4.523 -2.411 1.00 0.00 H new ATOM 1537 N ALA A 98 11.226 2.680 0.172 1.00 0.00 N ATOM 1538 CA ALA A 98 11.236 2.774 1.654 1.00 0.00 C ATOM 1539 C ALA A 98 12.051 3.994 2.150 1.00 0.00 C ATOM 1540 O ALA A 98 13.238 3.982 2.520 1.00 0.00 O ATOM 1541 CB ALA A 98 11.839 1.449 2.174 1.00 0.00 C ATOM 0 H ALA A 98 11.679 1.835 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 98 10.225 2.922 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.869 1.466 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.223 0.614 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.850 1.332 1.785 1.00 0.00 H new ATOM 1547 N ASP A 99 11.255 5.027 2.649 1.00 0.00 N ATOM 1548 CA ASP A 99 11.824 6.391 3.007 1.00 0.00 C ATOM 1549 C ASP A 99 10.784 7.012 4.023 1.00 0.00 C ATOM 1550 O ASP A 99 9.653 7.316 3.727 1.00 0.00 O ATOM 1551 CB ASP A 99 11.931 7.146 1.705 1.00 0.00 C ATOM 1552 CG ASP A 99 12.859 8.437 1.559 1.00 0.00 C ATOM 1553 OD1 ASP A 99 13.921 8.484 0.934 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.411 9.546 2.215 1.00 0.00 O ATOM 0 H ASP A 99 10.251 4.940 2.806 1.00 0.00 H new ATOM 0 HA ASP A 99 12.809 6.395 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.263 6.431 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.921 7.451 1.432 1.00 0.00 H new ATOM 1560 N LYS A 100 11.324 7.266 5.276 1.00 0.00 N ATOM 1561 CA LYS A 100 10.594 7.855 6.462 1.00 0.00 C ATOM 1562 C LYS A 100 9.672 9.118 6.253 1.00 0.00 C ATOM 1563 O LYS A 100 8.479 9.082 6.523 1.00 0.00 O ATOM 1564 CB LYS A 100 11.526 7.946 7.764 1.00 0.00 C ATOM 1565 CG LYS A 100 12.593 9.023 7.938 1.00 0.00 C ATOM 1566 CD LYS A 100 13.758 8.938 6.964 1.00 0.00 C ATOM 1567 CE LYS A 100 14.967 9.902 7.071 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.871 9.662 5.943 1.00 0.00 N ATOM 0 H LYS A 100 12.300 7.060 5.488 1.00 0.00 H new ATOM 0 HA LYS A 100 9.823 7.103 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.857 8.029 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.036 6.986 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.122 10.000 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.984 8.965 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.153 7.924 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.345 9.056 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.625 10.937 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.491 9.745 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.685 10.306 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.205 8.677 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.365 9.832 5.050 1.00 0.00 H new ATOM 1581 N ASP A 101 10.213 10.200 5.725 1.00 0.00 N ATOM 1582 CA ASP A 101 9.447 11.389 5.206 1.00 0.00 C ATOM 1583 C ASP A 101 8.835 11.176 3.776 1.00 0.00 C ATOM 1584 O ASP A 101 7.729 11.657 3.581 1.00 0.00 O ATOM 1585 CB ASP A 101 10.339 12.683 5.330 1.00 0.00 C ATOM 1586 CG ASP A 101 11.626 12.667 4.501 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.592 11.987 4.794 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.585 13.396 3.333 1.00 0.00 O ATOM 0 H ASP A 101 11.223 10.309 5.629 1.00 0.00 H new ATOM 0 HA ASP A 101 8.566 11.523 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.744 13.546 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.602 12.825 6.378 1.00 0.00 H new ATOM 1594 N GLY A 102 9.530 10.518 2.791 1.00 0.00 N ATOM 1595 CA GLY A 102 8.984 10.193 1.464 1.00 0.00 C ATOM 1596 C GLY A 102 7.592 9.638 1.193 1.00 0.00 C ATOM 1597 O GLY A 102 6.828 10.200 0.404 1.00 0.00 O ATOM 0 H GLY A 102 10.492 10.203 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.057 11.110 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.680 9.479 1.023 1.00 0.00 H new ATOM 1601 N LEU A 103 7.321 8.468 1.789 1.00 0.00 N ATOM 1602 CA LEU A 103 6.006 7.762 1.817 1.00 0.00 C ATOM 1603 C LEU A 103 4.812 8.623 2.413 1.00 0.00 C ATOM 1604 O LEU A 103 3.865 8.747 1.657 1.00 0.00 O ATOM 1605 CB LEU A 103 6.295 6.437 2.556 1.00 0.00 C ATOM 1606 CG LEU A 103 5.075 5.427 2.734 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.527 5.068 1.317 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.413 4.176 3.576 1.00 0.00 C ATOM 0 H LEU A 103 8.041 7.952 2.294 1.00 0.00 H new ATOM 0 HA LEU A 103 5.626 7.573 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.090 5.917 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.682 6.679 3.546 1.00 0.00 H new ATOM 0 HG LEU A 103 4.299 5.924 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.690 4.377 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.191 5.976 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.317 4.600 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.532 3.539 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.221 3.623 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.725 4.483 4.574 1.00 0.00 H new ATOM 1620 N PRO A 104 4.857 9.339 3.618 1.00 0.00 N ATOM 1621 CA PRO A 104 3.953 10.468 3.993 1.00 0.00 C ATOM 1622 C PRO A 104 3.709 11.570 2.931 1.00 0.00 C ATOM 1623 O PRO A 104 2.547 11.891 2.619 1.00 0.00 O ATOM 1624 CB PRO A 104 4.580 11.081 5.324 1.00 0.00 C ATOM 1625 CG PRO A 104 5.452 9.954 5.906 1.00 0.00 C ATOM 1626 CD PRO A 104 5.874 9.089 4.703 1.00 0.00 C ATOM 0 HA PRO A 104 2.949 10.062 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.174 11.969 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.802 11.381 6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.323 10.359 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.895 9.365 6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.875 9.356 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.900 8.034 4.974 1.00 0.00 H new ATOM 1634 N THR A 105 4.825 12.164 2.457 1.00 0.00 N ATOM 1635 CA THR A 105 4.827 13.253 1.379 1.00 0.00 C ATOM 1636 C THR A 105 4.047 12.942 0.054 1.00 0.00 C ATOM 1637 O THR A 105 3.288 13.744 -0.434 1.00 0.00 O ATOM 1638 CB THR A 105 6.377 13.466 1.224 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.995 14.131 2.353 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.870 14.356 0.038 1.00 0.00 C ATOM 0 H THR A 105 5.759 11.925 2.789 1.00 0.00 H new ATOM 0 HA THR A 105 4.265 14.145 1.655 1.00 0.00 H new ATOM 0 HB THR A 105 6.662 12.423 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.352 13.461 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.958 14.415 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.545 13.918 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.451 15.358 0.136 1.00 0.00 H new ATOM 1648 N LEU A 106 4.288 11.819 -0.520 1.00 0.00 N ATOM 1649 CA LEU A 106 3.532 11.236 -1.631 1.00 0.00 C ATOM 1650 C LEU A 106 2.030 10.877 -1.408 1.00 0.00 C ATOM 1651 O LEU A 106 1.159 11.220 -2.236 1.00 0.00 O ATOM 1652 CB LEU A 106 4.431 10.082 -2.214 1.00 0.00 C ATOM 1653 CG LEU A 106 3.987 9.247 -3.403 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.561 9.959 -4.725 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.991 8.137 -3.672 1.00 0.00 C ATOM 0 H LEU A 106 5.063 11.224 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 106 3.359 12.020 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.387 10.532 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.624 9.388 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 106 3.028 8.858 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.275 9.212 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.714 10.616 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.396 10.547 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.660 7.547 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.966 8.573 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.067 7.495 -2.795 1.00 0.00 H new ATOM 1667 N VAL A 107 1.731 10.183 -0.287 1.00 0.00 N ATOM 1668 CA VAL A 107 0.334 10.030 0.239 1.00 0.00 C ATOM 1669 C VAL A 107 -0.375 11.384 0.501 1.00 0.00 C ATOM 1670 O VAL A 107 -1.476 11.482 -0.047 1.00 0.00 O ATOM 1671 CB VAL A 107 0.219 9.002 1.372 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.147 9.021 2.169 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.513 7.643 0.784 1.00 0.00 C ATOM 0 H VAL A 107 2.436 9.713 0.282 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.246 9.587 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 107 0.947 9.270 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.125 8.257 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.288 10.000 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.971 8.818 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.440 6.885 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.208 7.424 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.520 7.637 0.366 1.00 0.00 H new ATOM 1683 N ALA A 108 0.198 12.324 1.312 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.355 13.691 1.506 1.00 0.00 C ATOM 1685 C ALA A 108 -0.791 14.486 0.247 1.00 0.00 C ATOM 1686 O ALA A 108 -1.863 15.048 0.272 1.00 0.00 O ATOM 1687 CB ALA A 108 0.618 14.400 2.414 1.00 0.00 C ATOM 0 H ALA A 108 1.051 12.152 1.844 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.342 13.606 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.269 15.416 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.690 13.864 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.599 14.433 1.941 1.00 0.00 H new ATOM 1693 N LYS A 109 0.070 14.433 -0.735 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.174 14.931 -2.106 1.00 0.00 C ATOM 1695 C LYS A 109 -1.432 14.203 -2.819 1.00 0.00 C ATOM 1696 O LYS A 109 -2.316 14.896 -3.280 1.00 0.00 O ATOM 1697 CB LYS A 109 1.096 14.767 -3.041 1.00 0.00 C ATOM 1698 CG LYS A 109 2.248 15.753 -2.663 1.00 0.00 C ATOM 1699 CD LYS A 109 3.627 15.405 -3.260 1.00 0.00 C ATOM 1700 CE LYS A 109 4.659 16.516 -2.909 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.913 16.290 -3.532 1.00 0.00 N ATOM 0 H LYS A 109 1.001 14.031 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.399 15.990 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.462 13.743 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.804 14.935 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.970 16.755 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.337 15.785 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.968 14.445 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.547 15.301 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.269 17.485 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.793 16.558 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.572 17.052 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.298 15.377 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.790 16.275 -4.565 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.554 12.850 -2.822 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.824 12.166 -3.177 1.00 0.00 C ATOM 1716 C HIS A 110 -4.134 12.502 -2.446 1.00 0.00 C ATOM 1717 O HIS A 110 -5.113 12.790 -3.091 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.557 10.638 -3.214 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.912 10.083 -4.498 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.644 9.587 -5.545 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.572 10.122 -4.866 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.656 9.286 -6.456 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.377 9.585 -6.107 1.00 0.00 N ATOM 0 H HIS A 110 -0.792 12.215 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.070 12.596 -4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.913 10.384 -2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.505 10.122 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.216 10.526 -4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.888 8.831 -7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.489 9.447 -6.628 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.070 12.359 -1.098 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.136 12.767 -0.119 1.00 0.00 C ATOM 1733 C ALA A 111 -5.730 14.200 -0.217 1.00 0.00 C ATOM 1734 O ALA A 111 -6.953 14.280 -0.074 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.414 12.647 1.239 1.00 0.00 C ATOM 0 H ALA A 111 -3.258 11.947 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.008 12.139 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.099 12.923 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.080 11.620 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.552 13.314 1.253 1.00 0.00 H new ATOM 1741 N THR A 112 -4.937 15.244 -0.370 1.00 0.00 N ATOM 1742 CA THR A 112 -5.370 16.632 -0.772 1.00 0.00 C ATOM 1743 C THR A 112 -6.226 16.714 -2.123 1.00 0.00 C ATOM 1744 O THR A 112 -7.270 17.394 -2.113 1.00 0.00 O ATOM 1745 CB THR A 112 -4.112 17.586 -0.771 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.416 17.572 0.507 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.255 19.132 -1.074 1.00 0.00 C ATOM 0 H THR A 112 -3.930 15.180 -0.220 1.00 0.00 H new ATOM 0 HA THR A 112 -6.084 16.976 -0.023 1.00 0.00 H new ATOM 0 HB THR A 112 -3.604 17.135 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.854 16.771 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.274 19.605 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.674 19.270 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.916 19.588 -0.337 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.712 16.067 -3.212 1.00 0.00 N ATOM 1756 CA ALA A 113 -6.496 15.749 -4.420 1.00 0.00 C ATOM 1757 C ALA A 113 -7.662 14.785 -4.195 1.00 0.00 C ATOM 1758 O ALA A 113 -7.572 13.577 -4.266 1.00 0.00 O ATOM 1759 CB ALA A 113 -5.529 15.218 -5.491 1.00 0.00 C ATOM 1760 OXT ALA A 113 -8.848 15.450 -3.866 1.00 0.00 O ATOM 0 H ALA A 113 -4.742 15.757 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.979 16.670 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.086 14.975 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.783 15.980 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -5.031 14.322 -5.120 1.00 0.00 H new TER 1767 ALA A 113