USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 43 THR OG1 : rot -164:sc= 2.01 USER MOD Set 1.2: A 47 THR OG1 : rot -170:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 57:sc= -0.262 USER MOD Single : A 12 TYR OH : rot 100:sc= -1.3 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0756 (180deg=-0.457) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 27 THR OG1 : rot 150:sc= -0.435 USER MOD Single : A 28 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.9!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.182) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.618 K(o=-0.62,f=-6.6!) USER MOD Single : A 42 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -0.668 (180deg=-4.31!) USER MOD Single : A 53 GLN : amide:sc= -0.476 K(o=-0.48,f=-6!) USER MOD Single : A 57 SER OG : rot 93:sc= -0.162 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.041) USER MOD Single : A 62 MET CE :methyl -171:sc= -2.99 (180deg=-4.3!) USER MOD Single : A 63 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 74 SER OG : rot 173:sc= -4.35! USER MOD Single : A 75 HIS : no HD1:sc=-0.00214 X(o=-0.0021,f=-0.13) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0488) USER MOD Single : A 80 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.67) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 70:sc= 0.133 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.208 -1.438 -16.530 1.00 11.13 N ATOM 2 CA GLY A 1 -3.842 -1.097 -16.179 1.00 64.54 C ATOM 3 C GLY A 1 -3.271 -2.013 -15.115 1.00 22.03 C ATOM 4 O GLY A 1 -3.155 -1.627 -13.952 1.00 23.11 O ATOM 0 H1 GLY A 1 -5.553 -0.783 -17.261 1.00 11.13 H new ATOM 0 H2 GLY A 1 -5.240 -2.411 -16.895 1.00 11.13 H new ATOM 0 H3 GLY A 1 -5.812 -1.364 -15.687 1.00 11.13 H new ATOM 0 HA2 GLY A 1 -3.218 -1.148 -17.071 1.00 64.54 H new ATOM 0 HA3 GLY A 1 -3.808 -0.067 -15.824 1.00 64.54 H new ATOM 8 N ALA A 2 -2.915 -3.230 -15.512 1.00 22.30 N ATOM 9 CA ALA A 2 -2.353 -4.203 -14.583 1.00 60.13 C ATOM 10 C ALA A 2 -0.851 -3.998 -14.416 1.00 32.51 C ATOM 11 O ALA A 2 -0.124 -3.841 -15.396 1.00 74.13 O ATOM 12 CB ALA A 2 -2.645 -5.618 -15.061 1.00 22.14 C ATOM 0 H ALA A 2 -3.006 -3.566 -16.471 1.00 22.30 H new ATOM 0 HA ALA A 2 -2.824 -4.055 -13.611 1.00 60.13 H new ATOM 0 HB1 ALA A 2 -2.220 -6.334 -14.358 1.00 22.14 H new ATOM 0 HB2 ALA A 2 -3.723 -5.766 -15.122 1.00 22.14 H new ATOM 0 HB3 ALA A 2 -2.201 -5.768 -16.045 1.00 22.14 H new ATOM 18 N GLU A 3 -0.394 -4.001 -13.168 1.00 24.23 N ATOM 19 CA GLU A 3 1.022 -3.814 -12.873 1.00 63.14 C ATOM 20 C GLU A 3 1.395 -4.477 -11.550 1.00 42.34 C ATOM 21 O GLU A 3 0.575 -4.572 -10.638 1.00 41.33 O ATOM 22 CB GLU A 3 1.363 -2.323 -12.824 1.00 31.24 C ATOM 23 CG GLU A 3 1.622 -1.712 -14.190 1.00 62.14 C ATOM 24 CD GLU A 3 2.105 -0.277 -14.106 1.00 33.03 C ATOM 25 OE1 GLU A 3 3.334 -0.069 -14.030 1.00 51.41 O ATOM 26 OE2 GLU A 3 1.254 0.637 -14.115 1.00 2.12 O ATOM 0 H GLU A 3 -0.983 -4.131 -12.345 1.00 24.23 H new ATOM 0 HA GLU A 3 1.598 -4.285 -13.670 1.00 63.14 H new ATOM 0 HB2 GLU A 3 0.543 -1.787 -12.345 1.00 31.24 H new ATOM 0 HB3 GLU A 3 2.245 -2.181 -12.199 1.00 31.24 H new ATOM 0 HG2 GLU A 3 2.365 -2.311 -14.717 1.00 62.14 H new ATOM 0 HG3 GLU A 3 0.706 -1.749 -14.780 1.00 62.14 H new ATOM 33 N GLY A 4 2.640 -4.934 -11.454 1.00 71.44 N ATOM 34 CA GLY A 4 3.100 -5.583 -10.241 1.00 3.04 C ATOM 35 C GLY A 4 4.479 -6.194 -10.397 1.00 11.44 C ATOM 36 O GLY A 4 5.206 -5.869 -11.334 1.00 3.21 O ATOM 0 H GLY A 4 3.338 -4.866 -12.195 1.00 71.44 H new ATOM 0 HA2 GLY A 4 3.118 -4.857 -9.428 1.00 3.04 H new ATOM 0 HA3 GLY A 4 2.391 -6.361 -9.958 1.00 3.04 H new ATOM 40 N ASN A 5 4.840 -7.080 -9.474 1.00 74.13 N ATOM 41 CA ASN A 5 6.142 -7.736 -9.512 1.00 74.05 C ATOM 42 C ASN A 5 6.115 -8.945 -10.443 1.00 53.43 C ATOM 43 O ASN A 5 6.050 -10.089 -9.993 1.00 13.24 O ATOM 44 CB ASN A 5 6.558 -8.171 -8.106 1.00 4.30 C ATOM 45 CG ASN A 5 6.606 -7.009 -7.132 1.00 71.12 C ATOM 46 OD1 ASN A 5 7.124 -5.939 -7.450 1.00 44.23 O ATOM 47 ND2 ASN A 5 6.064 -7.216 -5.938 1.00 14.02 N ATOM 0 H ASN A 5 4.249 -7.360 -8.691 1.00 74.13 H new ATOM 0 HA ASN A 5 6.870 -7.021 -9.895 1.00 74.05 H new ATOM 0 HB2 ASN A 5 5.858 -8.921 -7.738 1.00 4.30 H new ATOM 0 HB3 ASN A 5 7.538 -8.645 -8.150 1.00 4.30 H new ATOM 0 HD21 ASN A 5 6.066 -6.471 -5.241 1.00 14.02 H new ATOM 0 HD22 ASN A 5 5.645 -8.120 -5.718 1.00 14.02 H new ATOM 54 N THR A 6 6.166 -8.683 -11.746 1.00 11.12 N ATOM 55 CA THR A 6 6.147 -9.748 -12.741 1.00 0.24 C ATOM 56 C THR A 6 7.467 -9.814 -13.500 1.00 21.31 C ATOM 57 O THR A 6 7.646 -9.140 -14.515 1.00 71.12 O ATOM 58 CB THR A 6 4.998 -9.555 -13.748 1.00 34.21 C ATOM 59 OG1 THR A 6 3.828 -9.081 -13.072 1.00 1.53 O ATOM 60 CG2 THR A 6 4.681 -10.860 -14.464 1.00 3.41 C ATOM 0 H THR A 6 6.221 -7.742 -12.136 1.00 11.12 H new ATOM 0 HA THR A 6 5.994 -10.683 -12.201 1.00 0.24 H new ATOM 0 HB THR A 6 5.313 -8.819 -14.488 1.00 34.21 H new ATOM 0 HG1 THR A 6 3.103 -8.959 -13.720 1.00 1.53 H new ATOM 0 HG21 THR A 6 3.866 -10.699 -15.170 1.00 3.41 H new ATOM 0 HG22 THR A 6 5.565 -11.204 -15.002 1.00 3.41 H new ATOM 0 HG23 THR A 6 4.385 -11.613 -13.734 1.00 3.41 H new ATOM 68 N LEU A 7 8.389 -10.631 -13.003 1.00 24.10 N ATOM 69 CA LEU A 7 9.695 -10.787 -13.636 1.00 13.53 C ATOM 70 C LEU A 7 9.589 -11.631 -14.902 1.00 21.05 C ATOM 71 O LEU A 7 9.171 -12.788 -14.854 1.00 62.41 O ATOM 72 CB LEU A 7 10.683 -11.430 -12.661 1.00 14.42 C ATOM 73 CG LEU A 7 11.057 -10.594 -11.436 1.00 35.53 C ATOM 74 CD1 LEU A 7 11.808 -11.442 -10.421 1.00 71.10 C ATOM 75 CD2 LEU A 7 11.889 -9.388 -11.846 1.00 75.33 C ATOM 0 H LEU A 7 8.257 -11.196 -12.164 1.00 24.10 H new ATOM 0 HA LEU A 7 10.059 -9.797 -13.911 1.00 13.53 H new ATOM 0 HB2 LEU A 7 10.261 -12.374 -12.317 1.00 14.42 H new ATOM 0 HB3 LEU A 7 11.596 -11.669 -13.205 1.00 14.42 H new ATOM 0 HG LEU A 7 10.139 -10.235 -10.971 1.00 35.53 H new ATOM 0 HD11 LEU A 7 12.066 -10.831 -9.556 1.00 71.10 H new ATOM 0 HD12 LEU A 7 11.178 -12.273 -10.103 1.00 71.10 H new ATOM 0 HD13 LEU A 7 12.719 -11.831 -10.875 1.00 71.10 H new ATOM 0 HD21 LEU A 7 12.146 -8.805 -10.961 1.00 75.33 H new ATOM 0 HD22 LEU A 7 12.802 -9.726 -12.336 1.00 75.33 H new ATOM 0 HD23 LEU A 7 11.316 -8.768 -12.535 1.00 75.33 H new ATOM 87 N ILE A 8 9.972 -11.045 -16.031 1.00 23.31 N ATOM 88 CA ILE A 8 9.924 -11.745 -17.309 1.00 33.35 C ATOM 89 C ILE A 8 11.180 -11.477 -18.130 1.00 71.24 C ATOM 90 O ILE A 8 12.097 -10.793 -17.676 1.00 52.13 O ATOM 91 CB ILE A 8 8.688 -11.332 -18.130 1.00 64.12 C ATOM 92 CG1 ILE A 8 8.692 -9.821 -18.373 1.00 30.45 C ATOM 93 CG2 ILE A 8 7.413 -11.757 -17.419 1.00 14.15 C ATOM 94 CD1 ILE A 8 8.012 -9.414 -19.661 1.00 64.52 C ATOM 0 H ILE A 8 10.319 -10.087 -16.087 1.00 23.31 H new ATOM 0 HA ILE A 8 9.861 -12.810 -17.084 1.00 33.35 H new ATOM 0 HB ILE A 8 8.726 -11.836 -19.096 1.00 64.12 H new ATOM 0 HG12 ILE A 8 8.197 -9.326 -17.538 1.00 30.45 H new ATOM 0 HG13 ILE A 8 9.723 -9.466 -18.388 1.00 30.45 H new ATOM 0 HG21 ILE A 8 6.549 -11.458 -18.012 1.00 14.15 H new ATOM 0 HG22 ILE A 8 7.410 -12.840 -17.294 1.00 14.15 H new ATOM 0 HG23 ILE A 8 7.365 -11.278 -16.441 1.00 14.15 H new ATOM 0 HD11 ILE A 8 8.053 -8.330 -19.767 1.00 64.52 H new ATOM 0 HD12 ILE A 8 8.521 -9.881 -20.504 1.00 64.52 H new ATOM 0 HD13 ILE A 8 6.971 -9.738 -19.641 1.00 64.52 H new ATOM 106 N SER A 9 11.214 -12.020 -19.343 1.00 51.13 N ATOM 107 CA SER A 9 12.359 -11.841 -20.229 1.00 34.12 C ATOM 108 C SER A 9 11.923 -11.865 -21.691 1.00 23.21 C ATOM 109 O SER A 9 11.567 -12.914 -22.228 1.00 24.55 O ATOM 110 CB SER A 9 13.400 -12.933 -19.977 1.00 44.30 C ATOM 111 OG SER A 9 12.906 -14.206 -20.354 1.00 63.14 O ATOM 0 H SER A 9 10.462 -12.587 -19.735 1.00 51.13 H new ATOM 0 HA SER A 9 12.804 -10.869 -20.017 1.00 34.12 H new ATOM 0 HB2 SER A 9 14.308 -12.711 -20.538 1.00 44.30 H new ATOM 0 HB3 SER A 9 13.672 -12.943 -18.922 1.00 44.30 H new ATOM 0 HG SER A 9 12.644 -14.189 -21.298 1.00 63.14 H new ATOM 117 N VAL A 10 11.954 -10.700 -22.330 1.00 64.34 N ATOM 118 CA VAL A 10 11.564 -10.586 -23.731 1.00 25.24 C ATOM 119 C VAL A 10 12.729 -10.102 -24.588 1.00 14.25 C ATOM 120 O VAL A 10 13.358 -9.088 -24.283 1.00 34.32 O ATOM 121 CB VAL A 10 10.376 -9.622 -23.906 1.00 4.34 C ATOM 122 CG1 VAL A 10 10.716 -8.249 -23.344 1.00 74.25 C ATOM 123 CG2 VAL A 10 9.981 -9.525 -25.371 1.00 51.43 C ATOM 0 H VAL A 10 12.245 -9.822 -21.900 1.00 64.34 H new ATOM 0 HA VAL A 10 11.265 -11.582 -24.059 1.00 25.24 H new ATOM 0 HB VAL A 10 9.525 -10.015 -23.350 1.00 4.34 H new ATOM 0 HG11 VAL A 10 9.865 -7.581 -23.476 1.00 74.25 H new ATOM 0 HG12 VAL A 10 10.946 -8.337 -22.282 1.00 74.25 H new ATOM 0 HG13 VAL A 10 11.580 -7.844 -23.870 1.00 74.25 H new ATOM 0 HG21 VAL A 10 9.140 -8.840 -25.476 1.00 51.43 H new ATOM 0 HG22 VAL A 10 10.826 -9.155 -25.952 1.00 51.43 H new ATOM 0 HG23 VAL A 10 9.694 -10.511 -25.736 1.00 51.43 H new ATOM 133 N ASP A 11 13.010 -10.832 -25.661 1.00 31.32 N ATOM 134 CA ASP A 11 14.098 -10.477 -26.564 1.00 41.41 C ATOM 135 C ASP A 11 13.555 -9.951 -27.889 1.00 12.51 C ATOM 136 O ASP A 11 12.407 -10.214 -28.249 1.00 42.12 O ATOM 137 CB ASP A 11 14.999 -11.687 -26.813 1.00 22.21 C ATOM 138 CG ASP A 11 14.454 -12.603 -27.891 1.00 43.44 C ATOM 139 OD1 ASP A 11 13.456 -13.303 -27.625 1.00 73.44 O ATOM 140 OD2 ASP A 11 15.027 -12.619 -29.001 1.00 71.04 O ATOM 0 H ASP A 11 12.499 -11.674 -25.927 1.00 31.32 H new ATOM 0 HA ASP A 11 14.684 -9.688 -26.093 1.00 41.41 H new ATOM 0 HB2 ASP A 11 15.993 -11.343 -27.101 1.00 22.21 H new ATOM 0 HB3 ASP A 11 15.112 -12.249 -25.886 1.00 22.21 H new ATOM 145 N TYR A 12 14.386 -9.205 -28.609 1.00 32.40 N ATOM 146 CA TYR A 12 13.988 -8.639 -29.892 1.00 74.13 C ATOM 147 C TYR A 12 15.188 -8.039 -30.619 1.00 15.03 C ATOM 148 O TYR A 12 16.310 -8.070 -30.116 1.00 30.15 O ATOM 149 CB TYR A 12 12.913 -7.570 -29.690 1.00 53.12 C ATOM 150 CG TYR A 12 13.214 -6.615 -28.557 1.00 51.13 C ATOM 151 CD1 TYR A 12 14.334 -5.794 -28.594 1.00 1.15 C ATOM 152 CD2 TYR A 12 12.377 -6.533 -27.451 1.00 24.13 C ATOM 153 CE1 TYR A 12 14.613 -4.921 -27.560 1.00 44.43 C ATOM 154 CE2 TYR A 12 12.648 -5.662 -26.413 1.00 41.35 C ATOM 155 CZ TYR A 12 13.767 -4.858 -26.473 1.00 4.03 C ATOM 156 OH TYR A 12 14.041 -3.988 -25.442 1.00 65.30 O ATOM 0 H TYR A 12 15.339 -8.978 -28.326 1.00 32.40 H new ATOM 0 HA TYR A 12 13.581 -9.443 -30.504 1.00 74.13 H new ATOM 0 HB2 TYR A 12 12.800 -7.001 -30.613 1.00 53.12 H new ATOM 0 HB3 TYR A 12 11.958 -8.059 -29.498 1.00 53.12 H new ATOM 0 HD1 TYR A 12 14.998 -5.839 -29.445 1.00 1.15 H new ATOM 0 HD2 TYR A 12 11.500 -7.161 -27.402 1.00 24.13 H new ATOM 0 HE1 TYR A 12 15.489 -4.291 -27.603 1.00 44.43 H new ATOM 0 HE2 TYR A 12 11.988 -5.611 -25.560 1.00 41.35 H new ATOM 0 HH TYR A 12 13.489 -3.184 -25.537 1.00 65.30 H new ATOM 166 N GLU A 13 14.940 -7.493 -31.805 1.00 42.41 N ATOM 167 CA GLU A 13 16.000 -6.885 -32.602 1.00 31.25 C ATOM 168 C GLU A 13 15.532 -5.569 -33.216 1.00 4.11 C ATOM 169 O GLU A 13 15.044 -5.538 -34.346 1.00 32.32 O ATOM 170 CB GLU A 13 16.452 -7.844 -33.705 1.00 41.42 C ATOM 171 CG GLU A 13 15.303 -8.459 -34.486 1.00 13.51 C ATOM 172 CD GLU A 13 14.827 -9.769 -33.889 1.00 40.21 C ATOM 173 OE1 GLU A 13 15.367 -10.827 -34.276 1.00 15.30 O ATOM 174 OE2 GLU A 13 13.916 -9.737 -33.036 1.00 11.31 O ATOM 0 H GLU A 13 14.016 -7.459 -32.235 1.00 42.41 H new ATOM 0 HA GLU A 13 16.843 -6.678 -31.943 1.00 31.25 H new ATOM 0 HB2 GLU A 13 17.104 -7.309 -34.395 1.00 41.42 H new ATOM 0 HB3 GLU A 13 17.046 -8.642 -33.260 1.00 41.42 H new ATOM 0 HG2 GLU A 13 14.472 -7.755 -34.517 1.00 13.51 H new ATOM 0 HG3 GLU A 13 15.617 -8.626 -35.516 1.00 13.51 H new ATOM 181 N ILE A 14 15.685 -4.484 -32.464 1.00 24.44 N ATOM 182 CA ILE A 14 15.280 -3.166 -32.934 1.00 13.33 C ATOM 183 C ILE A 14 15.871 -2.866 -34.307 1.00 11.21 C ATOM 184 O ILE A 14 16.984 -3.288 -34.621 1.00 73.44 O ATOM 185 CB ILE A 14 15.708 -2.061 -31.950 1.00 45.11 C ATOM 186 CG1 ILE A 14 15.146 -2.343 -30.555 1.00 63.14 C ATOM 187 CG2 ILE A 14 15.246 -0.700 -32.448 1.00 40.31 C ATOM 188 CD1 ILE A 14 13.645 -2.524 -30.534 1.00 74.15 C ATOM 0 H ILE A 14 16.087 -4.492 -31.526 1.00 24.44 H new ATOM 0 HA ILE A 14 14.192 -3.177 -33.004 1.00 13.33 H new ATOM 0 HB ILE A 14 16.796 -2.053 -31.887 1.00 45.11 H new ATOM 0 HG12 ILE A 14 15.618 -3.241 -30.157 1.00 63.14 H new ATOM 0 HG13 ILE A 14 15.414 -1.521 -29.891 1.00 63.14 H new ATOM 0 HG21 ILE A 14 15.556 0.070 -31.742 1.00 40.31 H new ATOM 0 HG22 ILE A 14 15.691 -0.499 -33.423 1.00 40.31 H new ATOM 0 HG23 ILE A 14 14.160 -0.695 -32.537 1.00 40.31 H new ATOM 0 HD11 ILE A 14 13.316 -2.721 -29.513 1.00 74.15 H new ATOM 0 HD12 ILE A 14 13.164 -1.618 -30.902 1.00 74.15 H new ATOM 0 HD13 ILE A 14 13.371 -3.365 -31.172 1.00 74.15 H new ATOM 200 N PHE A 15 15.120 -2.132 -35.121 1.00 54.11 N ATOM 201 CA PHE A 15 15.569 -1.774 -36.461 1.00 43.13 C ATOM 202 C PHE A 15 16.139 -0.359 -36.484 1.00 2.43 C ATOM 203 O PHE A 15 16.328 0.263 -35.439 1.00 24.11 O ATOM 204 CB PHE A 15 14.413 -1.886 -37.457 1.00 61.02 C ATOM 205 CG PHE A 15 13.550 -3.095 -37.239 1.00 75.54 C ATOM 206 CD1 PHE A 15 14.117 -4.322 -36.935 1.00 34.32 C ATOM 207 CD2 PHE A 15 12.170 -3.006 -37.340 1.00 5.52 C ATOM 208 CE1 PHE A 15 13.325 -5.437 -36.733 1.00 72.24 C ATOM 209 CE2 PHE A 15 11.374 -4.117 -37.139 1.00 54.31 C ATOM 210 CZ PHE A 15 11.951 -5.334 -36.837 1.00 25.33 C ATOM 0 H PHE A 15 14.197 -1.773 -34.876 1.00 54.11 H new ATOM 0 HA PHE A 15 16.357 -2.469 -36.750 1.00 43.13 H new ATOM 0 HB2 PHE A 15 13.795 -0.991 -37.387 1.00 61.02 H new ATOM 0 HB3 PHE A 15 14.817 -1.916 -38.469 1.00 61.02 H new ATOM 0 HD1 PHE A 15 15.191 -4.408 -36.855 1.00 34.32 H new ATOM 0 HD2 PHE A 15 11.712 -2.057 -37.579 1.00 5.52 H new ATOM 0 HE1 PHE A 15 13.780 -6.387 -36.494 1.00 72.24 H new ATOM 0 HE2 PHE A 15 10.300 -4.033 -37.218 1.00 54.31 H new ATOM 0 HZ PHE A 15 11.330 -6.204 -36.682 1.00 25.33 H new ATOM 220 N GLY A 16 16.412 0.145 -37.684 1.00 74.50 N ATOM 221 CA GLY A 16 16.958 1.482 -37.821 1.00 71.02 C ATOM 222 C GLY A 16 18.401 1.474 -38.285 1.00 1.14 C ATOM 223 O GLY A 16 18.961 0.418 -38.579 1.00 22.24 O ATOM 0 H GLY A 16 16.264 -0.350 -38.564 1.00 74.50 H new ATOM 0 HA2 GLY A 16 16.354 2.047 -38.531 1.00 71.02 H new ATOM 0 HA3 GLY A 16 16.890 1.999 -36.864 1.00 71.02 H new ATOM 227 N LYS A 17 19.006 2.655 -38.352 1.00 54.41 N ATOM 228 CA LYS A 17 20.393 2.782 -38.784 1.00 14.14 C ATOM 229 C LYS A 17 21.349 2.370 -37.669 1.00 71.31 C ATOM 230 O LYS A 17 22.132 3.182 -37.177 1.00 14.53 O ATOM 231 CB LYS A 17 20.685 4.221 -39.214 1.00 52.24 C ATOM 232 CG LYS A 17 20.291 5.258 -38.177 1.00 4.41 C ATOM 233 CD LYS A 17 20.775 6.646 -38.564 1.00 62.21 C ATOM 234 CE LYS A 17 22.281 6.778 -38.397 1.00 22.12 C ATOM 235 NZ LYS A 17 22.683 8.176 -38.078 1.00 24.33 N ATOM 0 H LYS A 17 18.557 3.539 -38.112 1.00 54.41 H new ATOM 0 HA LYS A 17 20.545 2.117 -39.634 1.00 14.14 H new ATOM 0 HB2 LYS A 17 21.750 4.319 -39.427 1.00 52.24 H new ATOM 0 HB3 LYS A 17 20.154 4.428 -40.143 1.00 52.24 H new ATOM 0 HG2 LYS A 17 19.207 5.268 -38.065 1.00 4.41 H new ATOM 0 HG3 LYS A 17 20.709 4.983 -37.209 1.00 4.41 H new ATOM 0 HD2 LYS A 17 20.503 6.852 -39.599 1.00 62.21 H new ATOM 0 HD3 LYS A 17 20.273 7.392 -37.948 1.00 62.21 H new ATOM 0 HE2 LYS A 17 22.618 6.113 -37.602 1.00 22.12 H new ATOM 0 HE3 LYS A 17 22.778 6.457 -39.313 1.00 22.12 H new ATOM 0 HZ1 LYS A 17 23.716 8.224 -37.972 1.00 24.33 H new ATOM 0 HZ2 LYS A 17 22.384 8.808 -38.848 1.00 24.33 H new ATOM 0 HZ3 LYS A 17 22.230 8.474 -37.191 1.00 24.33 H new ATOM 249 N VAL A 18 21.281 1.101 -37.277 1.00 5.54 N ATOM 250 CA VAL A 18 22.143 0.581 -36.222 1.00 62.31 C ATOM 251 C VAL A 18 23.400 -0.056 -36.804 1.00 70.50 C ATOM 252 O VAL A 18 24.051 -0.874 -36.154 1.00 11.44 O ATOM 253 CB VAL A 18 21.406 -0.460 -35.358 1.00 4.32 C ATOM 254 CG1 VAL A 18 20.109 0.120 -34.815 1.00 20.54 C ATOM 255 CG2 VAL A 18 21.141 -1.725 -36.159 1.00 73.20 C ATOM 0 H VAL A 18 20.639 0.415 -37.674 1.00 5.54 H new ATOM 0 HA VAL A 18 22.425 1.428 -35.596 1.00 62.31 H new ATOM 0 HB VAL A 18 22.041 -0.721 -34.512 1.00 4.32 H new ATOM 0 HG11 VAL A 18 19.602 -0.629 -34.207 1.00 20.54 H new ATOM 0 HG12 VAL A 18 20.330 0.995 -34.203 1.00 20.54 H new ATOM 0 HG13 VAL A 18 19.465 0.411 -35.645 1.00 20.54 H new ATOM 0 HG21 VAL A 18 20.620 -2.449 -35.533 1.00 73.20 H new ATOM 0 HG22 VAL A 18 20.525 -1.485 -37.026 1.00 73.20 H new ATOM 0 HG23 VAL A 18 22.088 -2.149 -36.493 1.00 73.20 H new ATOM 265 N GLN A 19 23.735 0.324 -38.033 1.00 20.33 N ATOM 266 CA GLN A 19 24.915 -0.211 -38.702 1.00 74.34 C ATOM 267 C GLN A 19 26.152 -0.067 -37.823 1.00 22.21 C ATOM 268 O GLN A 19 26.662 -1.050 -37.286 1.00 0.53 O ATOM 269 CB GLN A 19 25.137 0.502 -40.037 1.00 51.30 C ATOM 270 CG GLN A 19 23.954 0.400 -40.986 1.00 71.22 C ATOM 271 CD GLN A 19 24.352 0.588 -42.437 1.00 14.51 C ATOM 272 OE1 GLN A 19 24.452 1.715 -42.924 1.00 11.13 O ATOM 273 NE2 GLN A 19 24.581 -0.517 -43.137 1.00 11.44 N ATOM 0 H GLN A 19 23.207 1.000 -38.585 1.00 20.33 H new ATOM 0 HA GLN A 19 24.746 -1.272 -38.888 1.00 74.34 H new ATOM 0 HB2 GLN A 19 25.349 1.554 -39.846 1.00 51.30 H new ATOM 0 HB3 GLN A 19 26.018 0.082 -40.522 1.00 51.30 H new ATOM 0 HG2 GLN A 19 23.480 -0.574 -40.866 1.00 71.22 H new ATOM 0 HG3 GLN A 19 23.211 1.151 -40.717 1.00 71.22 H new ATOM 0 HE21 GLN A 19 24.486 -1.431 -42.693 1.00 11.44 H new ATOM 0 HE22 GLN A 19 24.852 -0.452 -44.118 1.00 11.44 H new ATOM 282 N GLY A 20 26.631 1.165 -37.681 1.00 1.03 N ATOM 283 CA GLY A 20 27.806 1.415 -36.866 1.00 33.12 C ATOM 284 C GLY A 20 27.460 1.658 -35.410 1.00 42.30 C ATOM 285 O GLY A 20 27.095 0.731 -34.687 1.00 63.25 O ATOM 0 H GLY A 20 26.227 1.994 -38.116 1.00 1.03 H new ATOM 0 HA2 GLY A 20 28.483 0.563 -36.938 1.00 33.12 H new ATOM 0 HA3 GLY A 20 28.340 2.280 -37.259 1.00 33.12 H new ATOM 289 N VAL A 21 27.577 2.910 -34.977 1.00 32.41 N ATOM 290 CA VAL A 21 27.275 3.272 -33.597 1.00 53.44 C ATOM 291 C VAL A 21 28.263 2.629 -32.631 1.00 73.00 C ATOM 292 O VAL A 21 27.874 1.870 -31.743 1.00 22.10 O ATOM 293 CB VAL A 21 25.845 2.853 -33.207 1.00 51.52 C ATOM 294 CG1 VAL A 21 25.453 3.469 -31.873 1.00 3.34 C ATOM 295 CG2 VAL A 21 24.859 3.249 -34.296 1.00 35.52 C ATOM 0 H VAL A 21 27.878 3.690 -35.562 1.00 32.41 H new ATOM 0 HA VAL A 21 27.359 4.357 -33.529 1.00 53.44 H new ATOM 0 HB VAL A 21 25.819 1.768 -33.101 1.00 51.52 H new ATOM 0 HG11 VAL A 21 24.440 3.162 -31.614 1.00 3.34 H new ATOM 0 HG12 VAL A 21 26.143 3.132 -31.100 1.00 3.34 H new ATOM 0 HG13 VAL A 21 25.495 4.556 -31.948 1.00 3.34 H new ATOM 0 HG21 VAL A 21 23.854 2.946 -34.004 1.00 35.52 H new ATOM 0 HG22 VAL A 21 24.886 4.330 -34.436 1.00 35.52 H new ATOM 0 HG23 VAL A 21 25.130 2.756 -35.229 1.00 35.52 H new ATOM 305 N PHE A 22 29.543 2.938 -32.809 1.00 71.24 N ATOM 306 CA PHE A 22 30.588 2.389 -31.953 1.00 42.32 C ATOM 307 C PHE A 22 30.327 2.730 -30.489 1.00 54.41 C ATOM 308 O PHE A 22 30.806 2.045 -29.585 1.00 54.23 O ATOM 309 CB PHE A 22 31.957 2.925 -32.377 1.00 3.33 C ATOM 310 CG PHE A 22 32.073 4.420 -32.278 1.00 31.44 C ATOM 311 CD1 PHE A 22 32.417 5.023 -31.079 1.00 24.02 C ATOM 312 CD2 PHE A 22 31.838 5.221 -33.383 1.00 74.33 C ATOM 313 CE1 PHE A 22 32.524 6.398 -30.985 1.00 34.31 C ATOM 314 CE2 PHE A 22 31.943 6.596 -33.295 1.00 53.24 C ATOM 315 CZ PHE A 22 32.287 7.185 -32.095 1.00 2.22 C ATOM 0 H PHE A 22 29.882 3.566 -33.538 1.00 71.24 H new ATOM 0 HA PHE A 22 30.580 1.304 -32.062 1.00 42.32 H new ATOM 0 HB2 PHE A 22 32.726 2.467 -31.755 1.00 3.33 H new ATOM 0 HB3 PHE A 22 32.155 2.621 -33.405 1.00 3.33 H new ATOM 0 HD1 PHE A 22 32.604 4.412 -30.208 1.00 24.02 H new ATOM 0 HD2 PHE A 22 31.569 4.766 -34.325 1.00 74.33 H new ATOM 0 HE1 PHE A 22 32.793 6.856 -30.045 1.00 34.31 H new ATOM 0 HE2 PHE A 22 31.756 7.209 -34.164 1.00 53.24 H new ATOM 0 HZ PHE A 22 32.371 8.259 -32.024 1.00 2.22 H new ATOM 325 N PHE A 23 29.564 3.795 -30.263 1.00 34.41 N ATOM 326 CA PHE A 23 29.239 4.229 -28.909 1.00 70.32 C ATOM 327 C PHE A 23 28.688 3.070 -28.084 1.00 24.43 C ATOM 328 O PHE A 23 29.379 2.522 -27.224 1.00 45.23 O ATOM 329 CB PHE A 23 28.222 5.371 -28.947 1.00 75.13 C ATOM 330 CG PHE A 23 28.850 6.735 -28.913 1.00 71.23 C ATOM 331 CD1 PHE A 23 29.551 7.216 -30.007 1.00 1.40 C ATOM 332 CD2 PHE A 23 28.739 7.535 -27.788 1.00 12.31 C ATOM 333 CE1 PHE A 23 30.131 8.471 -29.978 1.00 32.32 C ATOM 334 CE2 PHE A 23 29.316 8.791 -27.753 1.00 62.31 C ATOM 335 CZ PHE A 23 30.012 9.259 -28.850 1.00 42.31 C ATOM 0 H PHE A 23 29.160 4.373 -31.000 1.00 34.41 H new ATOM 0 HA PHE A 23 30.156 4.584 -28.438 1.00 70.32 H new ATOM 0 HB2 PHE A 23 27.619 5.280 -29.851 1.00 75.13 H new ATOM 0 HB3 PHE A 23 27.544 5.271 -28.100 1.00 75.13 H new ATOM 0 HD1 PHE A 23 29.645 6.604 -30.892 1.00 1.40 H new ATOM 0 HD2 PHE A 23 28.195 7.173 -26.928 1.00 12.31 H new ATOM 0 HE1 PHE A 23 30.676 8.835 -30.836 1.00 32.32 H new ATOM 0 HE2 PHE A 23 29.223 9.405 -26.869 1.00 62.31 H new ATOM 0 HZ PHE A 23 30.463 10.240 -28.826 1.00 42.31 H new ATOM 345 N ARG A 24 27.440 2.701 -28.351 1.00 14.42 N ATOM 346 CA ARG A 24 26.795 1.609 -27.632 1.00 52.01 C ATOM 347 C ARG A 24 26.908 1.809 -26.124 1.00 10.04 C ATOM 348 O ARG A 24 26.950 0.844 -25.360 1.00 12.43 O ATOM 349 CB ARG A 24 27.420 0.270 -28.028 1.00 43.32 C ATOM 350 CG ARG A 24 27.361 -0.012 -29.521 1.00 11.24 C ATOM 351 CD ARG A 24 27.333 -1.506 -29.804 1.00 41.54 C ATOM 352 NE ARG A 24 27.926 -1.828 -31.100 1.00 0.34 N ATOM 353 CZ ARG A 24 28.379 -3.034 -31.421 1.00 24.34 C ATOM 354 NH1 ARG A 24 28.307 -4.028 -30.545 1.00 45.43 N ATOM 355 NH2 ARG A 24 28.906 -3.249 -32.620 1.00 35.44 N ATOM 0 H ARG A 24 26.855 3.142 -29.060 1.00 14.42 H new ATOM 0 HA ARG A 24 25.739 1.603 -27.902 1.00 52.01 H new ATOM 0 HB2 ARG A 24 28.461 0.255 -27.705 1.00 43.32 H new ATOM 0 HB3 ARG A 24 26.909 -0.532 -27.495 1.00 43.32 H new ATOM 0 HG2 ARG A 24 26.474 0.457 -29.946 1.00 11.24 H new ATOM 0 HG3 ARG A 24 28.225 0.436 -30.012 1.00 11.24 H new ATOM 0 HD2 ARG A 24 27.872 -2.034 -29.017 1.00 41.54 H new ATOM 0 HD3 ARG A 24 26.303 -1.861 -29.778 1.00 41.54 H new ATOM 0 HE ARG A 24 27.996 -1.086 -31.796 1.00 0.34 H new ATOM 0 HH11 ARG A 24 27.903 -3.867 -29.622 1.00 45.43 H new ATOM 0 HH12 ARG A 24 28.656 -4.954 -30.794 1.00 45.43 H new ATOM 0 HH21 ARG A 24 28.963 -2.487 -33.296 1.00 35.44 H new ATOM 0 HH22 ARG A 24 29.254 -4.176 -32.865 1.00 35.44 H new ATOM 369 N LYS A 25 26.958 3.068 -25.701 1.00 72.20 N ATOM 370 CA LYS A 25 27.065 3.396 -24.285 1.00 4.15 C ATOM 371 C LYS A 25 25.745 3.942 -23.751 1.00 32.44 C ATOM 372 O LYS A 25 25.416 3.762 -22.577 1.00 61.45 O ATOM 373 CB LYS A 25 28.180 4.420 -24.061 1.00 3.25 C ATOM 374 CG LYS A 25 28.533 4.625 -22.597 1.00 41.04 C ATOM 375 CD LYS A 25 29.501 5.782 -22.414 1.00 15.32 C ATOM 376 CE LYS A 25 30.874 5.456 -22.981 1.00 55.44 C ATOM 377 NZ LYS A 25 31.474 4.260 -22.329 1.00 12.13 N ATOM 0 H LYS A 25 26.926 3.878 -26.320 1.00 72.20 H new ATOM 0 HA LYS A 25 27.305 2.481 -23.743 1.00 4.15 H new ATOM 0 HB2 LYS A 25 29.071 4.098 -24.599 1.00 3.25 H new ATOM 0 HB3 LYS A 25 27.876 5.375 -24.490 1.00 3.25 H new ATOM 0 HG2 LYS A 25 27.624 4.816 -22.026 1.00 41.04 H new ATOM 0 HG3 LYS A 25 28.975 3.713 -22.197 1.00 41.04 H new ATOM 0 HD2 LYS A 25 29.105 6.670 -22.906 1.00 15.32 H new ATOM 0 HD3 LYS A 25 29.591 6.018 -21.354 1.00 15.32 H new ATOM 0 HE2 LYS A 25 30.792 5.282 -24.054 1.00 55.44 H new ATOM 0 HE3 LYS A 25 31.535 6.312 -22.847 1.00 55.44 H new ATOM 0 HZ1 LYS A 25 32.493 4.227 -22.535 1.00 12.13 H new ATOM 0 HZ2 LYS A 25 31.331 4.317 -21.300 1.00 12.13 H new ATOM 0 HZ3 LYS A 25 31.018 3.400 -22.695 1.00 12.13 H new ATOM 391 N HIS A 26 24.990 4.608 -24.619 1.00 64.20 N ATOM 392 CA HIS A 26 23.704 5.178 -24.235 1.00 30.34 C ATOM 393 C HIS A 26 22.562 4.231 -24.592 1.00 10.11 C ATOM 394 O HIS A 26 21.400 4.636 -24.648 1.00 20.51 O ATOM 395 CB HIS A 26 23.496 6.528 -24.920 1.00 14.51 C ATOM 396 CG HIS A 26 24.377 7.614 -24.384 1.00 11.32 C ATOM 397 ND1 HIS A 26 24.299 8.075 -23.086 1.00 63.05 N ATOM 398 CD2 HIS A 26 25.360 8.330 -24.978 1.00 4.35 C ATOM 399 CE1 HIS A 26 25.196 9.028 -22.906 1.00 14.52 C ATOM 400 NE2 HIS A 26 25.853 9.202 -24.038 1.00 41.31 N ATOM 0 H HIS A 26 25.247 4.766 -25.593 1.00 64.20 H new ATOM 0 HA HIS A 26 23.707 5.324 -23.155 1.00 30.34 H new ATOM 0 HB2 HIS A 26 23.680 6.416 -25.988 1.00 14.51 H new ATOM 0 HB3 HIS A 26 22.454 6.827 -24.806 1.00 14.51 H new ATOM 0 HD2 HIS A 26 25.694 8.234 -26.000 1.00 4.35 H new ATOM 0 HE1 HIS A 26 25.364 9.572 -21.988 1.00 14.52 H new ATOM 0 HE2 HIS A 26 26.605 9.875 -24.190 1.00 41.31 H new ATOM 408 N THR A 27 22.900 2.968 -24.834 1.00 11.31 N ATOM 409 CA THR A 27 21.904 1.965 -25.188 1.00 31.24 C ATOM 410 C THR A 27 21.747 0.931 -24.078 1.00 52.22 C ATOM 411 O THR A 27 20.698 0.301 -23.950 1.00 15.25 O ATOM 412 CB THR A 27 22.274 1.243 -26.497 1.00 51.43 C ATOM 413 OG1 THR A 27 21.229 0.337 -26.870 1.00 3.55 O ATOM 414 CG2 THR A 27 23.582 0.482 -26.345 1.00 30.13 C ATOM 0 H THR A 27 23.856 2.616 -24.791 1.00 11.31 H new ATOM 0 HA THR A 27 20.960 2.492 -25.327 1.00 31.24 H new ATOM 0 HB THR A 27 22.398 1.994 -27.277 1.00 51.43 H new ATOM 0 HG1 THR A 27 21.202 0.252 -27.846 1.00 3.55 H new ATOM 0 HG21 THR A 27 23.822 -0.020 -27.282 1.00 30.13 H new ATOM 0 HG22 THR A 27 24.381 1.179 -26.091 1.00 30.13 H new ATOM 0 HG23 THR A 27 23.482 -0.259 -25.552 1.00 30.13 H new ATOM 422 N GLN A 28 22.796 0.763 -23.280 1.00 32.14 N ATOM 423 CA GLN A 28 22.773 -0.195 -22.181 1.00 33.23 C ATOM 424 C GLN A 28 22.307 0.469 -20.889 1.00 63.01 C ATOM 425 O GLN A 28 21.641 -0.155 -20.064 1.00 22.22 O ATOM 426 CB GLN A 28 24.160 -0.809 -21.982 1.00 12.53 C ATOM 427 CG GLN A 28 25.181 0.166 -21.418 1.00 51.40 C ATOM 428 CD GLN A 28 25.205 0.175 -19.902 1.00 61.33 C ATOM 429 OE1 GLN A 28 24.945 1.200 -19.271 1.00 73.53 O ATOM 430 NE2 GLN A 28 25.519 -0.971 -19.309 1.00 35.03 N ATOM 0 H GLN A 28 23.672 1.277 -23.374 1.00 32.14 H new ATOM 0 HA GLN A 28 22.067 -0.985 -22.436 1.00 33.23 H new ATOM 0 HB2 GLN A 28 24.077 -1.664 -21.311 1.00 12.53 H new ATOM 0 HB3 GLN A 28 24.521 -1.188 -22.938 1.00 12.53 H new ATOM 0 HG2 GLN A 28 26.171 -0.095 -21.792 1.00 51.40 H new ATOM 0 HG3 GLN A 28 24.958 1.170 -21.780 1.00 51.40 H new ATOM 0 HE21 GLN A 28 25.727 -1.796 -19.872 1.00 35.03 H new ATOM 0 HE22 GLN A 28 25.552 -1.026 -18.291 1.00 35.03 H new ATOM 439 N ALA A 29 22.663 1.738 -20.721 1.00 1.33 N ATOM 440 CA ALA A 29 22.281 2.487 -19.530 1.00 55.53 C ATOM 441 C ALA A 29 20.773 2.714 -19.485 1.00 62.20 C ATOM 442 O ALA A 29 20.198 2.905 -18.414 1.00 54.35 O ATOM 443 CB ALA A 29 23.018 3.818 -19.484 1.00 75.24 C ATOM 0 H ALA A 29 23.215 2.269 -21.394 1.00 1.33 H new ATOM 0 HA ALA A 29 22.561 1.899 -18.656 1.00 55.53 H new ATOM 0 HB1 ALA A 29 22.723 4.367 -18.589 1.00 75.24 H new ATOM 0 HB2 ALA A 29 24.093 3.638 -19.461 1.00 75.24 H new ATOM 0 HB3 ALA A 29 22.767 4.404 -20.368 1.00 75.24 H new ATOM 449 N GLU A 30 20.140 2.691 -20.654 1.00 25.10 N ATOM 450 CA GLU A 30 18.700 2.895 -20.746 1.00 53.51 C ATOM 451 C GLU A 30 17.955 1.956 -19.802 1.00 3.15 C ATOM 452 O GLU A 30 16.978 2.345 -19.164 1.00 52.51 O ATOM 453 CB GLU A 30 18.222 2.676 -22.183 1.00 32.41 C ATOM 454 CG GLU A 30 17.095 3.606 -22.599 1.00 34.15 C ATOM 455 CD GLU A 30 16.186 2.990 -23.644 1.00 54.14 C ATOM 456 OE1 GLU A 30 15.334 2.156 -23.272 1.00 61.32 O ATOM 457 OE2 GLU A 30 16.326 3.342 -24.834 1.00 74.02 O ATOM 0 H GLU A 30 20.602 2.533 -21.550 1.00 25.10 H new ATOM 0 HA GLU A 30 18.486 3.922 -20.452 1.00 53.51 H new ATOM 0 HB2 GLU A 30 19.064 2.813 -22.862 1.00 32.41 H new ATOM 0 HB3 GLU A 30 17.889 1.644 -22.293 1.00 32.41 H new ATOM 0 HG2 GLU A 30 16.506 3.872 -21.721 1.00 34.15 H new ATOM 0 HG3 GLU A 30 17.518 4.531 -22.991 1.00 34.15 H new ATOM 464 N GLY A 31 18.426 0.715 -19.718 1.00 11.21 N ATOM 465 CA GLY A 31 17.793 -0.261 -18.850 1.00 63.13 C ATOM 466 C GLY A 31 18.082 -0.007 -17.384 1.00 53.40 C ATOM 467 O GLY A 31 17.176 -0.037 -16.551 1.00 12.03 O ATOM 0 H GLY A 31 19.234 0.369 -20.235 1.00 11.21 H new ATOM 0 HA2 GLY A 31 16.715 -0.243 -19.013 1.00 63.13 H new ATOM 0 HA3 GLY A 31 18.139 -1.259 -19.118 1.00 63.13 H new ATOM 471 N LYS A 32 19.347 0.244 -17.066 1.00 63.44 N ATOM 472 CA LYS A 32 19.754 0.504 -15.691 1.00 23.03 C ATOM 473 C LYS A 32 18.970 1.673 -15.103 1.00 44.45 C ATOM 474 O LYS A 32 18.753 1.744 -13.894 1.00 22.24 O ATOM 475 CB LYS A 32 21.255 0.799 -15.628 1.00 54.21 C ATOM 476 CG LYS A 32 22.123 -0.368 -16.064 1.00 31.20 C ATOM 477 CD LYS A 32 22.178 -1.450 -14.999 1.00 23.33 C ATOM 478 CE LYS A 32 23.140 -1.082 -13.879 1.00 41.15 C ATOM 479 NZ LYS A 32 24.536 -1.498 -14.189 1.00 2.34 N ATOM 0 H LYS A 32 20.109 0.273 -17.743 1.00 63.44 H new ATOM 0 HA LYS A 32 19.540 -0.387 -15.101 1.00 23.03 H new ATOM 0 HB2 LYS A 32 21.474 1.660 -16.260 1.00 54.21 H new ATOM 0 HB3 LYS A 32 21.520 1.076 -14.608 1.00 54.21 H new ATOM 0 HG2 LYS A 32 21.731 -0.788 -16.991 1.00 31.20 H new ATOM 0 HG3 LYS A 32 23.132 -0.013 -16.276 1.00 31.20 H new ATOM 0 HD2 LYS A 32 21.181 -1.607 -14.587 1.00 23.33 H new ATOM 0 HD3 LYS A 32 22.488 -2.392 -15.452 1.00 23.33 H new ATOM 0 HE2 LYS A 32 23.110 -0.005 -13.714 1.00 41.15 H new ATOM 0 HE3 LYS A 32 22.817 -1.556 -12.952 1.00 41.15 H new ATOM 0 HZ1 LYS A 32 25.087 -1.549 -13.308 1.00 2.34 H new ATOM 0 HZ2 LYS A 32 24.527 -2.432 -14.646 1.00 2.34 H new ATOM 0 HZ3 LYS A 32 24.971 -0.804 -14.830 1.00 2.34 H new ATOM 493 N LYS A 33 18.546 2.589 -15.968 1.00 5.11 N ATOM 494 CA LYS A 33 17.784 3.754 -15.536 1.00 51.52 C ATOM 495 C LYS A 33 16.473 3.334 -14.879 1.00 41.11 C ATOM 496 O LYS A 33 15.951 4.033 -14.010 1.00 33.24 O ATOM 497 CB LYS A 33 17.498 4.672 -16.727 1.00 4.41 C ATOM 498 CG LYS A 33 16.941 6.028 -16.330 1.00 1.43 C ATOM 499 CD LYS A 33 18.050 7.002 -15.966 1.00 35.14 C ATOM 500 CE LYS A 33 17.575 8.444 -16.053 1.00 43.51 C ATOM 501 NZ LYS A 33 16.906 8.885 -14.798 1.00 51.41 N ATOM 0 H LYS A 33 18.718 2.546 -16.973 1.00 5.11 H new ATOM 0 HA LYS A 33 18.381 4.295 -14.802 1.00 51.52 H new ATOM 0 HB2 LYS A 33 18.419 4.818 -17.292 1.00 4.41 H new ATOM 0 HB3 LYS A 33 16.790 4.179 -17.393 1.00 4.41 H new ATOM 0 HG2 LYS A 33 16.353 6.436 -17.152 1.00 1.43 H new ATOM 0 HG3 LYS A 33 16.266 5.911 -15.482 1.00 1.43 H new ATOM 0 HD2 LYS A 33 18.402 6.794 -14.955 1.00 35.14 H new ATOM 0 HD3 LYS A 33 18.898 6.856 -16.635 1.00 35.14 H new ATOM 0 HE2 LYS A 33 18.425 9.094 -16.259 1.00 43.51 H new ATOM 0 HE3 LYS A 33 16.884 8.549 -16.889 1.00 43.51 H new ATOM 0 HZ1 LYS A 33 16.597 9.873 -14.898 1.00 51.41 H new ATOM 0 HZ2 LYS A 33 16.080 8.281 -14.614 1.00 51.41 H new ATOM 0 HZ3 LYS A 33 17.573 8.810 -14.004 1.00 51.41 H new ATOM 515 N LEU A 34 15.947 2.189 -15.299 1.00 22.34 N ATOM 516 CA LEU A 34 14.697 1.674 -14.749 1.00 45.13 C ATOM 517 C LEU A 34 14.964 0.568 -13.733 1.00 52.12 C ATOM 518 O LEU A 34 14.189 0.371 -12.798 1.00 24.21 O ATOM 519 CB LEU A 34 13.803 1.146 -15.872 1.00 62.13 C ATOM 520 CG LEU A 34 12.834 2.155 -16.489 1.00 70.13 C ATOM 521 CD1 LEU A 34 12.081 1.529 -17.653 1.00 45.24 C ATOM 522 CD2 LEU A 34 11.861 2.671 -15.439 1.00 4.20 C ATOM 0 H LEU A 34 16.366 1.599 -16.018 1.00 22.34 H new ATOM 0 HA LEU A 34 14.187 2.493 -14.241 1.00 45.13 H new ATOM 0 HB2 LEU A 34 14.442 0.755 -16.664 1.00 62.13 H new ATOM 0 HB3 LEU A 34 13.225 0.307 -15.485 1.00 62.13 H new ATOM 0 HG LEU A 34 13.411 2.999 -16.867 1.00 70.13 H new ATOM 0 HD11 LEU A 34 11.396 2.262 -18.080 1.00 45.24 H new ATOM 0 HD12 LEU A 34 12.791 1.209 -18.416 1.00 45.24 H new ATOM 0 HD13 LEU A 34 11.516 0.667 -17.299 1.00 45.24 H new ATOM 0 HD21 LEU A 34 11.179 3.388 -15.896 1.00 4.20 H new ATOM 0 HD22 LEU A 34 11.290 1.837 -15.031 1.00 4.20 H new ATOM 0 HD23 LEU A 34 12.416 3.158 -14.637 1.00 4.20 H new ATOM 534 N GLY A 35 16.067 -0.150 -13.923 1.00 12.12 N ATOM 535 CA GLY A 35 16.417 -1.226 -13.014 1.00 0.42 C ATOM 536 C GLY A 35 16.305 -2.592 -13.662 1.00 0.55 C ATOM 537 O GLY A 35 15.915 -3.564 -13.014 1.00 12.11 O ATOM 0 H GLY A 35 16.724 -0.006 -14.690 1.00 12.12 H new ATOM 0 HA2 GLY A 35 17.436 -1.079 -12.657 1.00 0.42 H new ATOM 0 HA3 GLY A 35 15.765 -1.187 -12.141 1.00 0.42 H new ATOM 541 N LEU A 36 16.646 -2.666 -14.943 1.00 62.42 N ATOM 542 CA LEU A 36 16.581 -3.924 -15.680 1.00 54.42 C ATOM 543 C LEU A 36 17.963 -4.337 -16.176 1.00 33.14 C ATOM 544 O LEU A 36 18.931 -3.589 -16.042 1.00 23.25 O ATOM 545 CB LEU A 36 15.620 -3.794 -16.863 1.00 72.44 C ATOM 546 CG LEU A 36 14.364 -2.956 -16.620 1.00 62.40 C ATOM 547 CD1 LEU A 36 13.442 -3.014 -17.828 1.00 12.32 C ATOM 548 CD2 LEU A 36 13.639 -3.433 -15.370 1.00 1.32 C ATOM 0 H LEU A 36 16.970 -1.871 -15.493 1.00 62.42 H new ATOM 0 HA LEU A 36 16.213 -4.695 -15.003 1.00 54.42 H new ATOM 0 HB2 LEU A 36 16.165 -3.360 -17.702 1.00 72.44 H new ATOM 0 HB3 LEU A 36 15.312 -4.795 -17.166 1.00 72.44 H new ATOM 0 HG LEU A 36 14.665 -1.920 -16.468 1.00 62.40 H new ATOM 0 HD11 LEU A 36 12.554 -2.412 -17.637 1.00 12.32 H new ATOM 0 HD12 LEU A 36 13.963 -2.624 -18.703 1.00 12.32 H new ATOM 0 HD13 LEU A 36 13.147 -4.047 -18.012 1.00 12.32 H new ATOM 0 HD21 LEU A 36 12.748 -2.826 -15.212 1.00 1.32 H new ATOM 0 HD22 LEU A 36 13.350 -4.477 -15.493 1.00 1.32 H new ATOM 0 HD23 LEU A 36 14.299 -3.339 -14.508 1.00 1.32 H new ATOM 560 N VAL A 37 18.046 -5.533 -16.751 1.00 4.43 N ATOM 561 CA VAL A 37 19.309 -6.045 -17.270 1.00 1.34 C ATOM 562 C VAL A 37 19.148 -6.563 -18.694 1.00 71.12 C ATOM 563 O VAL A 37 18.072 -6.468 -19.283 1.00 12.13 O ATOM 564 CB VAL A 37 19.863 -7.176 -16.383 1.00 11.20 C ATOM 565 CG1 VAL A 37 20.216 -6.647 -15.001 1.00 60.01 C ATOM 566 CG2 VAL A 37 18.860 -8.316 -16.286 1.00 44.14 C ATOM 0 H VAL A 37 17.254 -6.165 -16.869 1.00 4.43 H new ATOM 0 HA VAL A 37 20.013 -5.213 -17.267 1.00 1.34 H new ATOM 0 HB VAL A 37 20.774 -7.561 -16.842 1.00 11.20 H new ATOM 0 HG11 VAL A 37 20.606 -7.460 -14.389 1.00 60.01 H new ATOM 0 HG12 VAL A 37 20.972 -5.867 -15.092 1.00 60.01 H new ATOM 0 HG13 VAL A 37 19.324 -6.234 -14.531 1.00 60.01 H new ATOM 0 HG21 VAL A 37 19.267 -9.106 -15.656 1.00 44.14 H new ATOM 0 HG22 VAL A 37 17.931 -7.947 -15.851 1.00 44.14 H new ATOM 0 HG23 VAL A 37 18.662 -8.712 -17.282 1.00 44.14 H new ATOM 576 N GLY A 38 20.227 -7.113 -19.244 1.00 34.33 N ATOM 577 CA GLY A 38 20.184 -7.640 -20.595 1.00 50.55 C ATOM 578 C GLY A 38 21.491 -7.439 -21.337 1.00 53.02 C ATOM 579 O GLY A 38 22.560 -7.770 -20.825 1.00 32.22 O ATOM 0 H GLY A 38 21.130 -7.203 -18.778 1.00 34.33 H new ATOM 0 HA2 GLY A 38 19.950 -8.704 -20.560 1.00 50.55 H new ATOM 0 HA3 GLY A 38 19.378 -7.154 -21.146 1.00 50.55 H new ATOM 583 N TRP A 39 21.405 -6.897 -22.547 1.00 21.14 N ATOM 584 CA TRP A 39 22.591 -6.655 -23.361 1.00 13.21 C ATOM 585 C TRP A 39 22.231 -5.897 -24.634 1.00 0.10 C ATOM 586 O TRP A 39 21.055 -5.711 -24.946 1.00 52.01 O ATOM 587 CB TRP A 39 23.270 -7.978 -23.715 1.00 64.33 C ATOM 588 CG TRP A 39 22.491 -8.802 -24.695 1.00 64.52 C ATOM 589 CD1 TRP A 39 22.510 -8.693 -26.056 1.00 45.43 C ATOM 590 CD2 TRP A 39 21.577 -9.861 -24.389 1.00 2.11 C ATOM 591 NE1 TRP A 39 21.663 -9.619 -26.615 1.00 0.03 N ATOM 592 CE2 TRP A 39 21.079 -10.349 -25.613 1.00 42.51 C ATOM 593 CE3 TRP A 39 21.132 -10.446 -23.200 1.00 43.52 C ATOM 594 CZ2 TRP A 39 20.159 -11.391 -25.680 1.00 31.14 C ATOM 595 CZ3 TRP A 39 20.219 -11.480 -23.268 1.00 14.01 C ATOM 596 CH2 TRP A 39 19.740 -11.945 -24.500 1.00 44.12 C ATOM 0 H TRP A 39 20.528 -6.617 -22.986 1.00 21.14 H new ATOM 0 HA TRP A 39 23.282 -6.045 -22.780 1.00 13.21 H new ATOM 0 HB2 TRP A 39 24.257 -7.772 -24.128 1.00 64.33 H new ATOM 0 HB3 TRP A 39 23.420 -8.556 -22.803 1.00 64.33 H new ATOM 0 HD1 TRP A 39 23.104 -7.983 -26.612 1.00 45.43 H new ATOM 0 HE1 TRP A 39 21.496 -9.743 -27.614 1.00 0.03 H new ATOM 0 HE3 TRP A 39 21.496 -10.096 -22.245 1.00 43.52 H new ATOM 0 HZ2 TRP A 39 19.789 -11.750 -26.629 1.00 31.14 H new ATOM 0 HZ3 TRP A 39 19.868 -11.938 -22.355 1.00 14.01 H new ATOM 0 HH2 TRP A 39 19.027 -12.756 -24.519 1.00 44.12 H new ATOM 607 N VAL A 40 23.251 -5.461 -25.366 1.00 61.15 N ATOM 608 CA VAL A 40 23.042 -4.724 -26.607 1.00 73.21 C ATOM 609 C VAL A 40 24.174 -4.979 -27.595 1.00 45.42 C ATOM 610 O VAL A 40 25.334 -4.674 -27.316 1.00 72.42 O ATOM 611 CB VAL A 40 22.931 -3.210 -26.349 1.00 1.15 C ATOM 612 CG1 VAL A 40 24.136 -2.712 -25.565 1.00 20.43 C ATOM 613 CG2 VAL A 40 22.790 -2.455 -27.661 1.00 51.44 C ATOM 0 H VAL A 40 24.231 -5.605 -25.121 1.00 61.15 H new ATOM 0 HA VAL A 40 22.105 -5.082 -27.033 1.00 73.21 H new ATOM 0 HB VAL A 40 22.038 -3.026 -25.752 1.00 1.15 H new ATOM 0 HG11 VAL A 40 24.040 -1.640 -25.392 1.00 20.43 H new ATOM 0 HG12 VAL A 40 24.187 -3.231 -24.608 1.00 20.43 H new ATOM 0 HG13 VAL A 40 25.046 -2.908 -26.133 1.00 20.43 H new ATOM 0 HG21 VAL A 40 22.713 -1.387 -27.459 1.00 51.44 H new ATOM 0 HG22 VAL A 40 23.663 -2.644 -28.285 1.00 51.44 H new ATOM 0 HG23 VAL A 40 21.893 -2.792 -28.180 1.00 51.44 H new ATOM 623 N GLN A 41 23.830 -5.538 -28.751 1.00 11.33 N ATOM 624 CA GLN A 41 24.819 -5.833 -29.781 1.00 31.13 C ATOM 625 C GLN A 41 24.284 -5.484 -31.165 1.00 54.14 C ATOM 626 O GLN A 41 23.075 -5.493 -31.395 1.00 20.43 O ATOM 627 CB GLN A 41 25.213 -7.310 -29.731 1.00 35.43 C ATOM 628 CG GLN A 41 24.199 -8.233 -30.389 1.00 0.31 C ATOM 629 CD GLN A 41 23.993 -9.520 -29.616 1.00 21.25 C ATOM 630 OE1 GLN A 41 22.923 -9.756 -29.053 1.00 63.04 O ATOM 631 NE2 GLN A 41 25.020 -10.362 -29.583 1.00 75.20 N ATOM 0 H GLN A 41 22.874 -5.796 -28.998 1.00 11.33 H new ATOM 0 HA GLN A 41 25.701 -5.222 -29.588 1.00 31.13 H new ATOM 0 HB2 GLN A 41 26.179 -7.437 -30.221 1.00 35.43 H new ATOM 0 HB3 GLN A 41 25.342 -7.608 -28.690 1.00 35.43 H new ATOM 0 HG2 GLN A 41 23.246 -7.712 -30.481 1.00 0.31 H new ATOM 0 HG3 GLN A 41 24.531 -8.470 -31.400 1.00 0.31 H new ATOM 0 HE21 GLN A 41 25.888 -10.126 -30.064 1.00 75.20 H new ATOM 0 HE22 GLN A 41 24.940 -11.244 -29.077 1.00 75.20 H new ATOM 640 N ASN A 42 25.192 -5.175 -32.085 1.00 62.41 N ATOM 641 CA ASN A 42 24.811 -4.822 -33.448 1.00 11.13 C ATOM 642 C ASN A 42 24.913 -6.031 -34.372 1.00 63.23 C ATOM 643 O ASN A 42 25.844 -6.831 -34.267 1.00 50.22 O ATOM 644 CB ASN A 42 25.698 -3.690 -33.970 1.00 54.22 C ATOM 645 CG ASN A 42 25.630 -3.552 -35.479 1.00 13.41 C ATOM 646 OD1 ASN A 42 24.548 -3.435 -36.055 1.00 32.14 O ATOM 647 ND2 ASN A 42 26.789 -3.564 -36.127 1.00 31.23 N ATOM 0 H ASN A 42 26.197 -5.162 -31.911 1.00 62.41 H new ATOM 0 HA ASN A 42 23.774 -4.485 -33.434 1.00 11.13 H new ATOM 0 HB2 ASN A 42 25.394 -2.751 -33.508 1.00 54.22 H new ATOM 0 HB3 ASN A 42 26.730 -3.873 -33.671 1.00 54.22 H new ATOM 0 HD21 ASN A 42 26.806 -3.474 -37.143 1.00 31.23 H new ATOM 0 HD22 ASN A 42 27.662 -3.663 -35.609 1.00 31.23 H new ATOM 654 N THR A 43 23.950 -6.159 -35.280 1.00 10.13 N ATOM 655 CA THR A 43 23.931 -7.270 -36.223 1.00 13.13 C ATOM 656 C THR A 43 24.295 -6.805 -37.628 1.00 5.12 C ATOM 657 O THR A 43 24.003 -5.672 -38.013 1.00 24.44 O ATOM 658 CB THR A 43 22.549 -7.950 -36.262 1.00 11.43 C ATOM 659 OG1 THR A 43 21.554 -7.013 -36.692 1.00 23.45 O ATOM 660 CG2 THR A 43 22.177 -8.499 -34.893 1.00 24.32 C ATOM 0 H THR A 43 23.173 -5.506 -35.382 1.00 10.13 H new ATOM 0 HA THR A 43 24.673 -7.990 -35.878 1.00 13.13 H new ATOM 0 HB THR A 43 22.596 -8.779 -36.968 1.00 11.43 H new ATOM 0 HG1 THR A 43 20.663 -7.362 -36.481 1.00 23.45 H new ATOM 0 HG21 THR A 43 21.198 -8.974 -34.945 1.00 24.32 H new ATOM 0 HG22 THR A 43 22.920 -9.233 -34.581 1.00 24.32 H new ATOM 0 HG23 THR A 43 22.146 -7.684 -34.170 1.00 24.32 H new ATOM 668 N ASP A 44 24.934 -7.686 -38.390 1.00 43.51 N ATOM 669 CA ASP A 44 25.338 -7.365 -39.754 1.00 75.45 C ATOM 670 C ASP A 44 24.121 -7.059 -40.623 1.00 4.53 C ATOM 671 O ASP A 44 24.179 -6.207 -41.510 1.00 72.00 O ATOM 672 CB ASP A 44 26.132 -8.524 -40.359 1.00 42.12 C ATOM 673 CG ASP A 44 27.520 -8.648 -39.762 1.00 42.11 C ATOM 674 OD1 ASP A 44 28.314 -7.694 -39.903 1.00 35.12 O ATOM 675 OD2 ASP A 44 27.813 -9.699 -39.155 1.00 24.23 O ATOM 0 H ASP A 44 25.183 -8.627 -38.087 1.00 43.51 H new ATOM 0 HA ASP A 44 25.971 -6.478 -39.720 1.00 75.45 H new ATOM 0 HB2 ASP A 44 25.587 -9.455 -40.202 1.00 42.12 H new ATOM 0 HB3 ASP A 44 26.214 -8.381 -41.436 1.00 42.12 H new ATOM 680 N ARG A 45 23.022 -7.759 -40.361 1.00 43.44 N ATOM 681 CA ARG A 45 21.793 -7.563 -41.120 1.00 41.55 C ATOM 682 C ARG A 45 21.336 -6.108 -41.050 1.00 25.33 C ATOM 683 O ARG A 45 21.009 -5.499 -42.067 1.00 61.53 O ATOM 684 CB ARG A 45 20.690 -8.481 -40.592 1.00 11.05 C ATOM 685 CG ARG A 45 19.472 -8.555 -41.498 1.00 64.23 C ATOM 686 CD ARG A 45 18.645 -9.800 -41.219 1.00 61.33 C ATOM 687 NE ARG A 45 18.137 -9.824 -39.850 1.00 71.44 N ATOM 688 CZ ARG A 45 17.417 -10.823 -39.351 1.00 40.02 C ATOM 689 NH1 ARG A 45 17.123 -11.874 -40.105 1.00 14.45 N ATOM 690 NH2 ARG A 45 16.990 -10.772 -38.096 1.00 25.12 N ATOM 0 H ARG A 45 22.958 -8.467 -39.629 1.00 43.44 H new ATOM 0 HA ARG A 45 21.996 -7.812 -42.162 1.00 41.55 H new ATOM 0 HB2 ARG A 45 21.096 -9.484 -40.461 1.00 11.05 H new ATOM 0 HB3 ARG A 45 20.379 -8.132 -39.607 1.00 11.05 H new ATOM 0 HG2 ARG A 45 18.856 -7.668 -41.354 1.00 64.23 H new ATOM 0 HG3 ARG A 45 19.792 -8.555 -42.540 1.00 64.23 H new ATOM 0 HD2 ARG A 45 17.809 -9.844 -41.917 1.00 61.33 H new ATOM 0 HD3 ARG A 45 19.254 -10.687 -41.395 1.00 61.33 H new ATOM 0 HE ARG A 45 18.346 -9.031 -39.244 1.00 71.44 H new ATOM 0 HH11 ARG A 45 17.450 -11.917 -41.070 1.00 14.45 H new ATOM 0 HH12 ARG A 45 16.570 -12.640 -39.719 1.00 14.45 H new ATOM 0 HH21 ARG A 45 17.214 -9.965 -37.513 1.00 25.12 H new ATOM 0 HH22 ARG A 45 16.437 -11.539 -37.714 1.00 25.12 H new ATOM 704 N GLY A 46 21.317 -5.558 -39.840 1.00 12.45 N ATOM 705 CA GLY A 46 20.898 -4.180 -39.658 1.00 43.12 C ATOM 706 C GLY A 46 19.937 -4.014 -38.498 1.00 75.13 C ATOM 707 O GLY A 46 18.939 -3.300 -38.606 1.00 33.23 O ATOM 0 H GLY A 46 21.584 -6.042 -38.983 1.00 12.45 H new ATOM 0 HA2 GLY A 46 21.776 -3.556 -39.491 1.00 43.12 H new ATOM 0 HA3 GLY A 46 20.424 -3.824 -40.572 1.00 43.12 H new ATOM 711 N THR A 47 20.235 -4.676 -37.385 1.00 33.42 N ATOM 712 CA THR A 47 19.388 -4.602 -36.201 1.00 51.40 C ATOM 713 C THR A 47 20.221 -4.642 -34.925 1.00 44.44 C ATOM 714 O THR A 47 21.447 -4.746 -34.976 1.00 0.24 O ATOM 715 CB THR A 47 18.365 -5.753 -36.169 1.00 13.45 C ATOM 716 OG1 THR A 47 19.042 -7.006 -36.027 1.00 30.23 O ATOM 717 CG2 THR A 47 17.524 -5.765 -37.436 1.00 71.22 C ATOM 0 H THR A 47 21.057 -5.270 -37.278 1.00 33.42 H new ATOM 0 HA THR A 47 18.855 -3.653 -36.253 1.00 51.40 H new ATOM 0 HB THR A 47 17.704 -5.599 -35.316 1.00 13.45 H new ATOM 0 HG1 THR A 47 18.406 -7.739 -36.166 1.00 30.23 H new ATOM 0 HG21 THR A 47 16.809 -6.586 -37.390 1.00 71.22 H new ATOM 0 HG22 THR A 47 16.987 -4.821 -37.525 1.00 71.22 H new ATOM 0 HG23 THR A 47 18.173 -5.896 -38.302 1.00 71.22 H new ATOM 725 N VAL A 48 19.549 -4.559 -33.782 1.00 11.33 N ATOM 726 CA VAL A 48 20.228 -4.587 -32.492 1.00 30.42 C ATOM 727 C VAL A 48 19.588 -5.607 -31.556 1.00 62.35 C ATOM 728 O VAL A 48 18.495 -5.386 -31.036 1.00 5.33 O ATOM 729 CB VAL A 48 20.207 -3.204 -31.816 1.00 4.52 C ATOM 730 CG1 VAL A 48 20.884 -3.264 -30.455 1.00 14.14 C ATOM 731 CG2 VAL A 48 20.875 -2.166 -32.706 1.00 74.22 C ATOM 0 H VAL A 48 18.534 -4.472 -33.723 1.00 11.33 H new ATOM 0 HA VAL A 48 21.262 -4.873 -32.685 1.00 30.42 H new ATOM 0 HB VAL A 48 19.169 -2.908 -31.666 1.00 4.52 H new ATOM 0 HG11 VAL A 48 20.859 -2.277 -29.993 1.00 14.14 H new ATOM 0 HG12 VAL A 48 20.359 -3.976 -29.819 1.00 14.14 H new ATOM 0 HG13 VAL A 48 21.920 -3.582 -30.577 1.00 14.14 H new ATOM 0 HG21 VAL A 48 20.851 -1.194 -32.213 1.00 74.22 H new ATOM 0 HG22 VAL A 48 21.910 -2.455 -32.888 1.00 74.22 H new ATOM 0 HG23 VAL A 48 20.343 -2.104 -33.655 1.00 74.22 H new ATOM 741 N GLN A 49 20.277 -6.725 -31.348 1.00 41.40 N ATOM 742 CA GLN A 49 19.775 -7.779 -30.475 1.00 24.20 C ATOM 743 C GLN A 49 19.800 -7.336 -29.016 1.00 53.50 C ATOM 744 O GLN A 49 20.832 -7.412 -28.351 1.00 13.33 O ATOM 745 CB GLN A 49 20.607 -9.052 -30.647 1.00 53.44 C ATOM 746 CG GLN A 49 20.072 -9.987 -31.720 1.00 44.33 C ATOM 747 CD GLN A 49 19.195 -11.085 -31.153 1.00 12.00 C ATOM 748 OE1 GLN A 49 18.405 -10.854 -30.237 1.00 51.51 O ATOM 749 NE2 GLN A 49 19.329 -12.290 -31.695 1.00 54.45 N ATOM 0 H GLN A 49 21.183 -6.924 -31.772 1.00 41.40 H new ATOM 0 HA GLN A 49 18.742 -7.987 -30.755 1.00 24.20 H new ATOM 0 HB2 GLN A 49 21.632 -8.776 -30.895 1.00 53.44 H new ATOM 0 HB3 GLN A 49 20.642 -9.585 -29.697 1.00 53.44 H new ATOM 0 HG2 GLN A 49 19.501 -9.410 -32.447 1.00 44.33 H new ATOM 0 HG3 GLN A 49 20.909 -10.436 -32.256 1.00 44.33 H new ATOM 0 HE21 GLN A 49 19.996 -12.437 -32.453 1.00 54.45 H new ATOM 0 HE22 GLN A 49 18.765 -13.068 -31.354 1.00 54.45 H new ATOM 758 N GLY A 50 18.655 -6.871 -28.524 1.00 73.25 N ATOM 759 CA GLY A 50 18.567 -6.422 -27.147 1.00 52.45 C ATOM 760 C GLY A 50 17.554 -7.212 -26.343 1.00 25.51 C ATOM 761 O GLY A 50 16.507 -7.603 -26.860 1.00 2.45 O ATOM 0 H GLY A 50 17.787 -6.797 -29.055 1.00 73.25 H new ATOM 0 HA2 GLY A 50 19.547 -6.508 -26.677 1.00 52.45 H new ATOM 0 HA3 GLY A 50 18.297 -5.366 -27.129 1.00 52.45 H new ATOM 765 N LYS A 51 17.867 -7.452 -25.074 1.00 12.12 N ATOM 766 CA LYS A 51 16.977 -8.202 -24.195 1.00 24.11 C ATOM 767 C LYS A 51 16.466 -7.322 -23.059 1.00 74.00 C ATOM 768 O LYS A 51 17.163 -6.417 -22.598 1.00 61.43 O ATOM 769 CB LYS A 51 17.703 -9.422 -23.622 1.00 54.11 C ATOM 770 CG LYS A 51 16.925 -10.134 -22.529 1.00 1.24 C ATOM 771 CD LYS A 51 15.635 -10.733 -23.062 1.00 32.40 C ATOM 772 CE LYS A 51 15.801 -12.208 -23.394 1.00 63.34 C ATOM 773 NZ LYS A 51 16.160 -13.011 -22.192 1.00 42.34 N ATOM 0 H LYS A 51 18.730 -7.138 -24.631 1.00 12.12 H new ATOM 0 HA LYS A 51 16.123 -8.537 -24.784 1.00 24.11 H new ATOM 0 HB2 LYS A 51 17.906 -10.126 -24.429 1.00 54.11 H new ATOM 0 HB3 LYS A 51 18.667 -9.107 -23.224 1.00 54.11 H new ATOM 0 HG2 LYS A 51 17.542 -10.922 -22.097 1.00 1.24 H new ATOM 0 HG3 LYS A 51 16.697 -9.432 -21.727 1.00 1.24 H new ATOM 0 HD2 LYS A 51 14.844 -10.612 -22.322 1.00 32.40 H new ATOM 0 HD3 LYS A 51 15.322 -10.191 -23.955 1.00 32.40 H new ATOM 0 HE2 LYS A 51 14.874 -12.590 -23.822 1.00 63.34 H new ATOM 0 HE3 LYS A 51 16.575 -12.324 -24.153 1.00 63.34 H new ATOM 0 HZ1 LYS A 51 17.100 -13.434 -22.326 1.00 42.34 H new ATOM 0 HZ2 LYS A 51 16.173 -12.395 -21.354 1.00 42.34 H new ATOM 0 HZ3 LYS A 51 15.457 -13.765 -22.056 1.00 42.34 H new ATOM 787 N LEU A 52 15.245 -7.593 -22.611 1.00 31.33 N ATOM 788 CA LEU A 52 14.640 -6.827 -21.527 1.00 1.12 C ATOM 789 C LEU A 52 14.244 -7.739 -20.370 1.00 53.12 C ATOM 790 O LEU A 52 13.096 -8.171 -20.275 1.00 35.54 O ATOM 791 CB LEU A 52 13.414 -6.067 -22.036 1.00 32.15 C ATOM 792 CG LEU A 52 13.656 -4.626 -22.487 1.00 23.34 C ATOM 793 CD1 LEU A 52 12.384 -4.026 -23.064 1.00 33.31 C ATOM 794 CD2 LEU A 52 14.167 -3.783 -21.327 1.00 63.43 C ATOM 0 H LEU A 52 14.654 -8.337 -22.982 1.00 31.33 H new ATOM 0 HA LEU A 52 15.378 -6.112 -21.164 1.00 1.12 H new ATOM 0 HB2 LEU A 52 12.989 -6.622 -22.873 1.00 32.15 H new ATOM 0 HB3 LEU A 52 12.663 -6.058 -21.246 1.00 32.15 H new ATOM 0 HG LEU A 52 14.416 -4.633 -23.268 1.00 23.34 H new ATOM 0 HD11 LEU A 52 12.576 -3.000 -23.379 1.00 33.31 H new ATOM 0 HD12 LEU A 52 12.061 -4.615 -23.922 1.00 33.31 H new ATOM 0 HD13 LEU A 52 11.602 -4.032 -22.305 1.00 33.31 H new ATOM 0 HD21 LEU A 52 14.334 -2.761 -21.666 1.00 63.43 H new ATOM 0 HD22 LEU A 52 13.430 -3.783 -20.524 1.00 63.43 H new ATOM 0 HD23 LEU A 52 15.104 -4.201 -20.959 1.00 63.43 H new ATOM 806 N GLN A 53 15.201 -8.025 -19.494 1.00 1.43 N ATOM 807 CA GLN A 53 14.951 -8.884 -18.343 1.00 14.13 C ATOM 808 C GLN A 53 14.594 -8.056 -17.113 1.00 13.14 C ATOM 809 O GLN A 53 15.298 -7.110 -16.763 1.00 51.42 O ATOM 810 CB GLN A 53 16.177 -9.751 -18.050 1.00 54.24 C ATOM 811 CG GLN A 53 16.232 -11.025 -18.877 1.00 74.31 C ATOM 812 CD GLN A 53 17.257 -12.014 -18.358 1.00 43.32 C ATOM 813 OE1 GLN A 53 18.139 -11.658 -17.576 1.00 44.43 O ATOM 814 NE2 GLN A 53 17.147 -13.264 -18.791 1.00 71.14 N ATOM 0 H GLN A 53 16.157 -7.675 -19.559 1.00 1.43 H new ATOM 0 HA GLN A 53 14.106 -9.530 -18.581 1.00 14.13 H new ATOM 0 HB2 GLN A 53 17.078 -9.167 -18.237 1.00 54.24 H new ATOM 0 HB3 GLN A 53 16.182 -10.014 -16.992 1.00 54.24 H new ATOM 0 HG2 GLN A 53 15.248 -11.495 -18.880 1.00 74.31 H new ATOM 0 HG3 GLN A 53 16.467 -10.773 -19.911 1.00 74.31 H new ATOM 0 HE21 GLN A 53 16.400 -13.515 -19.439 1.00 71.14 H new ATOM 0 HE22 GLN A 53 17.809 -13.973 -18.476 1.00 71.14 H new ATOM 823 N GLY A 54 13.494 -8.419 -16.459 1.00 71.04 N ATOM 824 CA GLY A 54 13.062 -7.699 -15.276 1.00 4.13 C ATOM 825 C GLY A 54 11.553 -7.632 -15.156 1.00 52.31 C ATOM 826 O GLY A 54 10.821 -8.332 -15.856 1.00 64.31 O ATOM 0 H GLY A 54 12.895 -9.199 -16.728 1.00 71.04 H new ATOM 0 HA2 GLY A 54 13.473 -8.183 -14.390 1.00 4.13 H new ATOM 0 HA3 GLY A 54 13.466 -6.687 -15.303 1.00 4.13 H new ATOM 830 N PRO A 55 11.065 -6.772 -14.249 1.00 72.32 N ATOM 831 CA PRO A 55 9.628 -6.597 -14.018 1.00 51.30 C ATOM 832 C PRO A 55 8.932 -5.909 -15.188 1.00 63.30 C ATOM 833 O PRO A 55 9.477 -4.982 -15.788 1.00 14.45 O ATOM 834 CB PRO A 55 9.575 -5.712 -12.770 1.00 20.01 C ATOM 835 CG PRO A 55 10.867 -4.971 -12.776 1.00 41.41 C ATOM 836 CD PRO A 55 11.878 -5.906 -13.380 1.00 42.51 C ATOM 0 HA PRO A 55 9.115 -7.552 -13.903 1.00 51.30 H new ATOM 0 HB2 PRO A 55 8.727 -5.029 -12.805 1.00 20.01 H new ATOM 0 HB3 PRO A 55 9.466 -6.310 -11.865 1.00 20.01 H new ATOM 0 HG2 PRO A 55 10.788 -4.053 -13.358 1.00 41.41 H new ATOM 0 HG3 PRO A 55 11.157 -4.683 -11.765 1.00 41.41 H new ATOM 0 HD2 PRO A 55 12.636 -5.366 -13.947 1.00 42.51 H new ATOM 0 HD3 PRO A 55 12.401 -6.481 -12.616 1.00 42.51 H new ATOM 844 N ILE A 56 7.727 -6.370 -15.507 1.00 44.41 N ATOM 845 CA ILE A 56 6.958 -5.797 -16.605 1.00 34.34 C ATOM 846 C ILE A 56 6.620 -4.335 -16.335 1.00 43.33 C ATOM 847 O ILE A 56 6.472 -3.540 -17.264 1.00 21.13 O ATOM 848 CB ILE A 56 5.652 -6.578 -16.843 1.00 73.14 C ATOM 849 CG1 ILE A 56 5.959 -8.043 -17.162 1.00 54.32 C ATOM 850 CG2 ILE A 56 4.852 -5.941 -17.970 1.00 64.24 C ATOM 851 CD1 ILE A 56 4.758 -8.954 -17.032 1.00 50.35 C ATOM 0 H ILE A 56 7.263 -7.138 -15.021 1.00 44.41 H new ATOM 0 HA ILE A 56 7.581 -5.865 -17.497 1.00 34.34 H new ATOM 0 HB ILE A 56 5.053 -6.542 -15.933 1.00 73.14 H new ATOM 0 HG12 ILE A 56 6.349 -8.111 -18.178 1.00 54.32 H new ATOM 0 HG13 ILE A 56 6.746 -8.395 -16.495 1.00 54.32 H new ATOM 0 HG21 ILE A 56 3.932 -6.504 -18.126 1.00 64.24 H new ATOM 0 HG22 ILE A 56 4.607 -4.912 -17.706 1.00 64.24 H new ATOM 0 HG23 ILE A 56 5.443 -5.950 -18.886 1.00 64.24 H new ATOM 0 HD11 ILE A 56 5.049 -9.976 -17.273 1.00 50.35 H new ATOM 0 HD12 ILE A 56 4.381 -8.915 -16.010 1.00 50.35 H new ATOM 0 HD13 ILE A 56 3.978 -8.628 -17.719 1.00 50.35 H new ATOM 863 N SER A 57 6.502 -3.986 -15.058 1.00 50.22 N ATOM 864 CA SER A 57 6.180 -2.619 -14.666 1.00 3.30 C ATOM 865 C SER A 57 7.128 -1.625 -15.331 1.00 24.40 C ATOM 866 O SER A 57 6.758 -0.483 -15.605 1.00 25.43 O ATOM 867 CB SER A 57 6.254 -2.471 -13.145 1.00 31.30 C ATOM 868 OG SER A 57 5.638 -3.570 -12.496 1.00 22.13 O ATOM 0 H SER A 57 6.625 -4.631 -14.277 1.00 50.22 H new ATOM 0 HA SER A 57 5.164 -2.403 -14.996 1.00 3.30 H new ATOM 0 HB2 SER A 57 7.296 -2.398 -12.834 1.00 31.30 H new ATOM 0 HB3 SER A 57 5.765 -1.545 -12.842 1.00 31.30 H new ATOM 0 HG SER A 57 6.312 -4.254 -12.299 1.00 22.13 H new ATOM 874 N LYS A 58 8.354 -2.069 -15.589 1.00 1.25 N ATOM 875 CA LYS A 58 9.357 -1.222 -16.223 1.00 3.44 C ATOM 876 C LYS A 58 9.479 -1.542 -17.709 1.00 1.21 C ATOM 877 O LYS A 58 9.670 -0.648 -18.533 1.00 50.52 O ATOM 878 CB LYS A 58 10.714 -1.403 -15.538 1.00 50.11 C ATOM 879 CG LYS A 58 10.931 -0.468 -14.361 1.00 20.12 C ATOM 880 CD LYS A 58 10.141 -0.914 -13.142 1.00 23.23 C ATOM 881 CE LYS A 58 10.434 -0.035 -11.936 1.00 21.05 C ATOM 882 NZ LYS A 58 9.930 1.353 -12.126 1.00 4.42 N ATOM 0 H LYS A 58 8.677 -3.011 -15.368 1.00 1.25 H new ATOM 0 HA LYS A 58 9.039 -0.185 -16.118 1.00 3.44 H new ATOM 0 HB2 LYS A 58 10.803 -2.433 -15.194 1.00 50.11 H new ATOM 0 HB3 LYS A 58 11.505 -1.242 -16.270 1.00 50.11 H new ATOM 0 HG2 LYS A 58 11.992 -0.432 -14.115 1.00 20.12 H new ATOM 0 HG3 LYS A 58 10.633 0.543 -14.639 1.00 20.12 H new ATOM 0 HD2 LYS A 58 9.075 -0.882 -13.366 1.00 23.23 H new ATOM 0 HD3 LYS A 58 10.386 -1.950 -12.907 1.00 23.23 H new ATOM 0 HE2 LYS A 58 9.974 -0.470 -11.049 1.00 21.05 H new ATOM 0 HE3 LYS A 58 11.509 -0.010 -11.758 1.00 21.05 H new ATOM 0 HZ1 LYS A 58 10.058 1.892 -11.246 1.00 4.42 H new ATOM 0 HZ2 LYS A 58 10.460 1.813 -12.894 1.00 4.42 H new ATOM 0 HZ3 LYS A 58 8.920 1.325 -12.371 1.00 4.42 H new ATOM 896 N VAL A 59 9.366 -2.823 -18.045 1.00 0.10 N ATOM 897 CA VAL A 59 9.461 -3.261 -19.433 1.00 11.45 C ATOM 898 C VAL A 59 8.383 -2.607 -20.290 1.00 33.22 C ATOM 899 O VAL A 59 8.571 -2.396 -21.488 1.00 21.50 O ATOM 900 CB VAL A 59 9.335 -4.791 -19.548 1.00 65.40 C ATOM 901 CG1 VAL A 59 9.423 -5.226 -21.003 1.00 25.20 C ATOM 902 CG2 VAL A 59 10.405 -5.478 -18.712 1.00 43.32 C ATOM 0 H VAL A 59 9.209 -3.576 -17.375 1.00 0.10 H new ATOM 0 HA VAL A 59 10.443 -2.957 -19.795 1.00 11.45 H new ATOM 0 HB VAL A 59 8.359 -5.088 -19.163 1.00 65.40 H new ATOM 0 HG11 VAL A 59 9.332 -6.310 -21.065 1.00 25.20 H new ATOM 0 HG12 VAL A 59 8.617 -4.761 -21.571 1.00 25.20 H new ATOM 0 HG13 VAL A 59 10.383 -4.918 -21.417 1.00 25.20 H new ATOM 0 HG21 VAL A 59 10.301 -6.559 -18.805 1.00 43.32 H new ATOM 0 HG22 VAL A 59 11.391 -5.177 -19.065 1.00 43.32 H new ATOM 0 HG23 VAL A 59 10.290 -5.191 -17.667 1.00 43.32 H new ATOM 912 N ARG A 60 7.252 -2.288 -19.668 1.00 25.23 N ATOM 913 CA ARG A 60 6.143 -1.659 -20.374 1.00 0.12 C ATOM 914 C ARG A 60 6.543 -0.283 -20.898 1.00 51.12 C ATOM 915 O ARG A 60 5.977 0.208 -21.875 1.00 22.43 O ATOM 916 CB ARG A 60 4.930 -1.532 -19.451 1.00 74.00 C ATOM 917 CG ARG A 60 4.201 -2.846 -19.218 1.00 42.35 C ATOM 918 CD ARG A 60 3.152 -3.098 -20.290 1.00 20.22 C ATOM 919 NE ARG A 60 1.972 -2.257 -20.109 1.00 71.03 N ATOM 920 CZ ARG A 60 1.005 -2.524 -19.238 1.00 5.10 C ATOM 921 NH1 ARG A 60 1.079 -3.603 -18.471 1.00 60.23 N ATOM 922 NH2 ARG A 60 -0.037 -1.710 -19.132 1.00 32.12 N ATOM 0 H ARG A 60 7.080 -2.455 -18.677 1.00 25.23 H new ATOM 0 HA ARG A 60 5.881 -2.290 -21.223 1.00 0.12 H new ATOM 0 HB2 ARG A 60 5.255 -1.132 -18.491 1.00 74.00 H new ATOM 0 HB3 ARG A 60 4.233 -0.811 -19.878 1.00 74.00 H new ATOM 0 HG2 ARG A 60 4.919 -3.666 -19.210 1.00 42.35 H new ATOM 0 HG3 ARG A 60 3.725 -2.830 -18.238 1.00 42.35 H new ATOM 0 HD2 ARG A 60 3.585 -2.909 -21.272 1.00 20.22 H new ATOM 0 HD3 ARG A 60 2.856 -4.147 -20.269 1.00 20.22 H new ATOM 0 HE ARG A 60 1.885 -1.418 -20.683 1.00 71.03 H new ATOM 0 HH11 ARG A 60 1.880 -4.230 -18.549 1.00 60.23 H new ATOM 0 HH12 ARG A 60 0.335 -3.806 -17.803 1.00 60.23 H new ATOM 0 HH21 ARG A 60 -0.096 -0.878 -19.720 1.00 32.12 H new ATOM 0 HH22 ARG A 60 -0.779 -1.916 -18.463 1.00 32.12 H new ATOM 936 N GLU A 61 7.521 0.334 -20.242 1.00 33.22 N ATOM 937 CA GLU A 61 7.994 1.654 -20.642 1.00 24.33 C ATOM 938 C GLU A 61 9.244 1.543 -21.510 1.00 41.03 C ATOM 939 O GLU A 61 9.529 2.424 -22.321 1.00 71.22 O ATOM 940 CB GLU A 61 8.291 2.509 -19.408 1.00 65.30 C ATOM 941 CG GLU A 61 7.126 2.602 -18.437 1.00 43.12 C ATOM 942 CD GLU A 61 6.065 3.585 -18.892 1.00 42.22 C ATOM 943 OE1 GLU A 61 6.436 4.654 -19.421 1.00 13.30 O ATOM 944 OE2 GLU A 61 4.865 3.286 -18.720 1.00 3.04 O ATOM 0 H GLU A 61 8.001 -0.059 -19.432 1.00 33.22 H new ATOM 0 HA GLU A 61 7.208 2.133 -21.226 1.00 24.33 H new ATOM 0 HB2 GLU A 61 9.154 2.094 -18.888 1.00 65.30 H new ATOM 0 HB3 GLU A 61 8.566 3.513 -19.730 1.00 65.30 H new ATOM 0 HG2 GLU A 61 6.676 1.616 -18.319 1.00 43.12 H new ATOM 0 HG3 GLU A 61 7.498 2.902 -17.457 1.00 43.12 H new ATOM 951 N MET A 62 9.986 0.455 -21.333 1.00 61.34 N ATOM 952 CA MET A 62 11.205 0.228 -22.101 1.00 40.22 C ATOM 953 C MET A 62 10.896 0.111 -23.590 1.00 74.33 C ATOM 954 O MET A 62 11.674 0.558 -24.432 1.00 2.34 O ATOM 955 CB MET A 62 11.912 -1.038 -21.614 1.00 3.21 C ATOM 956 CG MET A 62 12.940 -0.779 -20.524 1.00 42.54 C ATOM 957 SD MET A 62 14.438 0.004 -21.154 1.00 73.33 S ATOM 958 CE MET A 62 14.369 1.587 -20.320 1.00 23.04 C ATOM 0 H MET A 62 9.765 -0.283 -20.665 1.00 61.34 H new ATOM 0 HA MET A 62 11.863 1.084 -21.951 1.00 40.22 H new ATOM 0 HB2 MET A 62 11.166 -1.739 -21.240 1.00 3.21 H new ATOM 0 HB3 MET A 62 12.404 -1.518 -22.460 1.00 3.21 H new ATOM 0 HG2 MET A 62 12.498 -0.144 -19.756 1.00 42.54 H new ATOM 0 HG3 MET A 62 13.202 -1.723 -20.045 1.00 42.54 H new ATOM 0 HE1 MET A 62 15.137 2.246 -20.725 1.00 23.04 H new ATOM 0 HE2 MET A 62 13.388 2.036 -20.473 1.00 23.04 H new ATOM 0 HE3 MET A 62 14.540 1.444 -19.253 1.00 23.04 H new ATOM 968 N GLN A 63 9.755 -0.494 -23.907 1.00 63.13 N ATOM 969 CA GLN A 63 9.345 -0.671 -25.295 1.00 41.43 C ATOM 970 C GLN A 63 9.378 0.657 -26.046 1.00 34.24 C ATOM 971 O GLN A 63 9.849 0.730 -27.181 1.00 24.55 O ATOM 972 CB GLN A 63 7.941 -1.273 -25.361 1.00 74.14 C ATOM 973 CG GLN A 63 6.898 -0.472 -24.598 1.00 43.45 C ATOM 974 CD GLN A 63 5.688 -1.301 -24.217 1.00 23.41 C ATOM 975 OE1 GLN A 63 5.820 -2.395 -23.666 1.00 53.20 O ATOM 976 NE2 GLN A 63 4.500 -0.785 -24.508 1.00 42.13 N ATOM 0 H GLN A 63 9.099 -0.869 -23.222 1.00 63.13 H new ATOM 0 HA GLN A 63 10.048 -1.354 -25.771 1.00 41.43 H new ATOM 0 HB2 GLN A 63 7.636 -1.349 -26.405 1.00 74.14 H new ATOM 0 HB3 GLN A 63 7.971 -2.287 -24.963 1.00 74.14 H new ATOM 0 HG2 GLN A 63 7.350 -0.061 -23.696 1.00 43.45 H new ATOM 0 HG3 GLN A 63 6.577 0.373 -25.207 1.00 43.45 H new ATOM 0 HE21 GLN A 63 4.437 0.125 -24.965 1.00 42.13 H new ATOM 0 HE22 GLN A 63 3.650 -1.298 -24.275 1.00 42.13 H new ATOM 985 N LYS A 64 8.873 1.705 -25.405 1.00 13.53 N ATOM 986 CA LYS A 64 8.844 3.032 -26.010 1.00 22.30 C ATOM 987 C LYS A 64 10.213 3.699 -25.922 1.00 52.41 C ATOM 988 O LYS A 64 10.628 4.407 -26.839 1.00 42.45 O ATOM 989 CB LYS A 64 7.793 3.906 -25.322 1.00 42.15 C ATOM 990 CG LYS A 64 6.445 3.899 -26.021 1.00 75.11 C ATOM 991 CD LYS A 64 5.303 4.065 -25.032 1.00 22.42 C ATOM 992 CE LYS A 64 4.872 5.519 -24.917 1.00 31.42 C ATOM 993 NZ LYS A 64 3.500 5.647 -24.353 1.00 12.35 N ATOM 0 H LYS A 64 8.478 1.662 -24.466 1.00 13.53 H new ATOM 0 HA LYS A 64 8.581 2.919 -27.062 1.00 22.30 H new ATOM 0 HB2 LYS A 64 7.663 3.563 -24.296 1.00 42.15 H new ATOM 0 HB3 LYS A 64 8.161 4.931 -25.271 1.00 42.15 H new ATOM 0 HG2 LYS A 64 6.411 4.703 -26.756 1.00 75.11 H new ATOM 0 HG3 LYS A 64 6.322 2.963 -26.567 1.00 75.11 H new ATOM 0 HD2 LYS A 64 4.455 3.457 -25.348 1.00 22.42 H new ATOM 0 HD3 LYS A 64 5.612 3.697 -24.053 1.00 22.42 H new ATOM 0 HE2 LYS A 64 5.577 6.058 -24.284 1.00 31.42 H new ATOM 0 HE3 LYS A 64 4.905 5.987 -25.901 1.00 31.42 H new ATOM 0 HZ1 LYS A 64 3.243 6.653 -24.290 1.00 12.35 H new ATOM 0 HZ2 LYS A 64 2.823 5.154 -24.970 1.00 12.35 H new ATOM 0 HZ3 LYS A 64 3.474 5.223 -23.404 1.00 12.35 H new ATOM 1007 N TRP A 65 10.908 3.468 -24.815 1.00 4.33 N ATOM 1008 CA TRP A 65 12.231 4.047 -24.609 1.00 23.14 C ATOM 1009 C TRP A 65 13.215 3.546 -25.661 1.00 34.45 C ATOM 1010 O TRP A 65 14.180 4.232 -26.000 1.00 35.11 O ATOM 1011 CB TRP A 65 12.746 3.708 -23.209 1.00 3.23 C ATOM 1012 CG TRP A 65 12.107 4.525 -22.127 1.00 11.11 C ATOM 1013 CD1 TRP A 65 10.831 5.013 -22.114 1.00 24.04 C ATOM 1014 CD2 TRP A 65 12.714 4.951 -20.902 1.00 62.41 C ATOM 1015 NE1 TRP A 65 10.609 5.716 -20.954 1.00 42.22 N ATOM 1016 CE2 TRP A 65 11.748 5.692 -20.194 1.00 2.01 C ATOM 1017 CE3 TRP A 65 13.979 4.776 -20.334 1.00 32.22 C ATOM 1018 CZ2 TRP A 65 12.010 6.257 -18.949 1.00 1.42 C ATOM 1019 CZ3 TRP A 65 14.237 5.338 -19.098 1.00 62.22 C ATOM 1020 CH2 TRP A 65 13.257 6.071 -18.416 1.00 73.41 C ATOM 0 H TRP A 65 10.578 2.884 -24.046 1.00 4.33 H new ATOM 0 HA TRP A 65 12.145 5.129 -24.705 1.00 23.14 H new ATOM 0 HB2 TRP A 65 12.567 2.651 -23.010 1.00 3.23 H new ATOM 0 HB3 TRP A 65 13.825 3.860 -23.180 1.00 3.23 H new ATOM 0 HD1 TRP A 65 10.104 4.868 -22.899 1.00 24.04 H new ATOM 0 HE1 TRP A 65 9.737 6.180 -20.700 1.00 42.22 H new ATOM 0 HE3 TRP A 65 14.741 4.212 -20.851 1.00 32.22 H new ATOM 0 HZ2 TRP A 65 11.256 6.822 -18.422 1.00 1.42 H new ATOM 0 HZ3 TRP A 65 15.211 5.210 -18.650 1.00 62.22 H new ATOM 0 HH2 TRP A 65 13.490 6.497 -17.451 1.00 73.41 H new ATOM 1031 N LEU A 66 12.965 2.346 -26.174 1.00 14.13 N ATOM 1032 CA LEU A 66 13.829 1.753 -27.188 1.00 73.24 C ATOM 1033 C LEU A 66 13.165 1.796 -28.561 1.00 44.03 C ATOM 1034 O LEU A 66 13.614 1.136 -29.498 1.00 75.01 O ATOM 1035 CB LEU A 66 14.166 0.308 -26.818 1.00 20.44 C ATOM 1036 CG LEU A 66 15.448 0.104 -26.010 1.00 23.31 C ATOM 1037 CD1 LEU A 66 15.432 -1.249 -25.316 1.00 25.33 C ATOM 1038 CD2 LEU A 66 16.670 0.230 -26.908 1.00 41.12 C ATOM 0 H LEU A 66 12.171 1.765 -25.904 1.00 14.13 H new ATOM 0 HA LEU A 66 14.750 2.335 -27.231 1.00 73.24 H new ATOM 0 HB2 LEU A 66 13.332 -0.104 -26.249 1.00 20.44 H new ATOM 0 HB3 LEU A 66 14.243 -0.273 -27.737 1.00 20.44 H new ATOM 0 HG LEU A 66 15.501 0.880 -25.247 1.00 23.31 H new ATOM 0 HD11 LEU A 66 16.352 -1.376 -24.746 1.00 25.33 H new ATOM 0 HD12 LEU A 66 14.577 -1.302 -24.642 1.00 25.33 H new ATOM 0 HD13 LEU A 66 15.355 -2.040 -26.062 1.00 25.33 H new ATOM 0 HD21 LEU A 66 17.573 0.082 -26.316 1.00 41.12 H new ATOM 0 HD22 LEU A 66 16.623 -0.524 -27.694 1.00 41.12 H new ATOM 0 HD23 LEU A 66 16.690 1.222 -27.358 1.00 41.12 H new ATOM 1050 N GLU A 67 12.097 2.579 -28.672 1.00 50.23 N ATOM 1051 CA GLU A 67 11.373 2.709 -29.932 1.00 5.03 C ATOM 1052 C GLU A 67 11.436 4.143 -30.450 1.00 0.13 C ATOM 1053 O GLU A 67 11.624 4.377 -31.644 1.00 62.11 O ATOM 1054 CB GLU A 67 9.915 2.283 -29.754 1.00 32.42 C ATOM 1055 CG GLU A 67 9.039 2.594 -30.956 1.00 31.42 C ATOM 1056 CD GLU A 67 7.979 1.536 -31.194 1.00 55.11 C ATOM 1057 OE1 GLU A 67 8.280 0.340 -31.003 1.00 34.51 O ATOM 1058 OE2 GLU A 67 6.847 1.906 -31.572 1.00 10.11 O ATOM 0 H GLU A 67 11.714 3.133 -27.906 1.00 50.23 H new ATOM 0 HA GLU A 67 11.848 2.056 -30.664 1.00 5.03 H new ATOM 0 HB2 GLU A 67 9.880 1.212 -29.557 1.00 32.42 H new ATOM 0 HB3 GLU A 67 9.504 2.782 -28.877 1.00 32.42 H new ATOM 0 HG2 GLU A 67 8.556 3.560 -30.809 1.00 31.42 H new ATOM 0 HG3 GLU A 67 9.665 2.682 -31.844 1.00 31.42 H new ATOM 1065 N THR A 68 11.276 5.101 -29.542 1.00 42.52 N ATOM 1066 CA THR A 68 11.312 6.512 -29.906 1.00 44.21 C ATOM 1067 C THR A 68 12.442 7.238 -29.184 1.00 31.54 C ATOM 1068 O THR A 68 13.004 8.202 -29.702 1.00 3.31 O ATOM 1069 CB THR A 68 9.979 7.211 -29.581 1.00 75.31 C ATOM 1070 OG1 THR A 68 10.126 8.630 -29.704 1.00 31.31 O ATOM 1071 CG2 THR A 68 9.515 6.864 -28.174 1.00 73.34 C ATOM 0 H THR A 68 11.120 4.925 -28.549 1.00 42.52 H new ATOM 0 HA THR A 68 11.484 6.556 -30.981 1.00 44.21 H new ATOM 0 HB THR A 68 9.229 6.862 -30.291 1.00 75.31 H new ATOM 0 HG1 THR A 68 9.273 9.066 -29.497 1.00 31.31 H new ATOM 0 HG21 THR A 68 8.572 7.369 -27.967 1.00 73.34 H new ATOM 0 HG22 THR A 68 9.375 5.786 -28.093 1.00 73.34 H new ATOM 0 HG23 THR A 68 10.266 7.188 -27.453 1.00 73.34 H new ATOM 1079 N ARG A 69 12.770 6.767 -27.985 1.00 33.22 N ATOM 1080 CA ARG A 69 13.833 7.372 -27.191 1.00 74.40 C ATOM 1081 C ARG A 69 15.125 6.569 -27.312 1.00 0.51 C ATOM 1082 O ARG A 69 15.772 6.261 -26.312 1.00 60.01 O ATOM 1083 CB ARG A 69 13.412 7.464 -25.723 1.00 24.31 C ATOM 1084 CG ARG A 69 11.995 7.977 -25.526 1.00 45.31 C ATOM 1085 CD ARG A 69 11.797 9.332 -26.189 1.00 33.53 C ATOM 1086 NE ARG A 69 12.794 10.306 -25.754 1.00 21.55 N ATOM 1087 CZ ARG A 69 12.855 11.550 -26.213 1.00 44.25 C ATOM 1088 NH1 ARG A 69 11.981 11.970 -27.117 1.00 41.25 N ATOM 1089 NH2 ARG A 69 13.792 12.378 -25.769 1.00 23.24 N ATOM 0 H ARG A 69 12.315 5.969 -27.542 1.00 33.22 H new ATOM 0 HA ARG A 69 14.013 8.377 -27.574 1.00 74.40 H new ATOM 0 HB2 ARG A 69 13.499 6.478 -25.267 1.00 24.31 H new ATOM 0 HB3 ARG A 69 14.104 8.121 -25.196 1.00 24.31 H new ATOM 0 HG2 ARG A 69 11.286 7.260 -25.941 1.00 45.31 H new ATOM 0 HG3 ARG A 69 11.780 8.057 -24.460 1.00 45.31 H new ATOM 0 HD2 ARG A 69 11.851 9.217 -27.272 1.00 33.53 H new ATOM 0 HD3 ARG A 69 10.800 9.706 -25.958 1.00 33.53 H new ATOM 0 HE ARG A 69 13.481 10.014 -25.059 1.00 21.55 H new ATOM 0 HH11 ARG A 69 11.259 11.337 -27.461 1.00 41.25 H new ATOM 0 HH12 ARG A 69 12.030 12.926 -27.468 1.00 41.25 H new ATOM 0 HH21 ARG A 69 14.467 12.059 -25.074 1.00 23.24 H new ATOM 0 HH22 ARG A 69 13.837 13.334 -26.123 1.00 23.24 H new ATOM 1103 N GLY A 70 15.495 6.234 -28.544 1.00 53.45 N ATOM 1104 CA GLY A 70 16.707 5.471 -28.773 1.00 63.24 C ATOM 1105 C GLY A 70 17.961 6.296 -28.561 1.00 51.02 C ATOM 1106 O GLY A 70 17.889 7.511 -28.375 1.00 75.33 O ATOM 0 H GLY A 70 14.976 6.478 -29.388 1.00 53.45 H new ATOM 0 HA2 GLY A 70 16.724 4.612 -28.103 1.00 63.24 H new ATOM 0 HA3 GLY A 70 16.700 5.081 -29.791 1.00 63.24 H new ATOM 1110 N SER A 71 19.114 5.635 -28.587 1.00 50.31 N ATOM 1111 CA SER A 71 20.389 6.315 -28.390 1.00 60.04 C ATOM 1112 C SER A 71 20.519 7.510 -29.331 1.00 34.54 C ATOM 1113 O SER A 71 19.823 7.615 -30.341 1.00 64.02 O ATOM 1114 CB SER A 71 21.549 5.344 -28.618 1.00 61.03 C ATOM 1115 OG SER A 71 21.194 4.333 -29.546 1.00 15.32 O ATOM 0 H SER A 71 19.191 4.630 -28.742 1.00 50.31 H new ATOM 0 HA SER A 71 20.424 6.678 -27.363 1.00 60.04 H new ATOM 0 HB2 SER A 71 22.418 5.890 -28.985 1.00 61.03 H new ATOM 0 HB3 SER A 71 21.837 4.888 -27.671 1.00 61.03 H new ATOM 0 HG SER A 71 21.953 3.727 -29.675 1.00 15.32 H new ATOM 1121 N PRO A 72 21.431 8.432 -28.991 1.00 14.51 N ATOM 1122 CA PRO A 72 21.674 9.636 -29.791 1.00 3.41 C ATOM 1123 C PRO A 72 22.346 9.321 -31.123 1.00 50.11 C ATOM 1124 O PRO A 72 22.363 10.151 -32.031 1.00 42.41 O ATOM 1125 CB PRO A 72 22.606 10.468 -28.906 1.00 23.22 C ATOM 1126 CG PRO A 72 23.293 9.471 -28.037 1.00 54.01 C ATOM 1127 CD PRO A 72 22.295 8.371 -27.800 1.00 54.51 C ATOM 0 HA PRO A 72 20.746 10.145 -30.054 1.00 3.41 H new ATOM 0 HB2 PRO A 72 23.322 11.031 -29.505 1.00 23.22 H new ATOM 0 HB3 PRO A 72 22.047 11.192 -28.313 1.00 23.22 H new ATOM 0 HG2 PRO A 72 24.191 9.086 -28.520 1.00 54.01 H new ATOM 0 HG3 PRO A 72 23.606 9.923 -27.096 1.00 54.01 H new ATOM 0 HD2 PRO A 72 22.782 7.400 -27.706 1.00 54.51 H new ATOM 0 HD3 PRO A 72 21.728 8.533 -26.883 1.00 54.51 H new ATOM 1135 N GLU A 73 22.897 8.116 -31.232 1.00 44.42 N ATOM 1136 CA GLU A 73 23.570 7.693 -32.455 1.00 5.15 C ATOM 1137 C GLU A 73 22.694 6.733 -33.254 1.00 10.03 C ATOM 1138 O GLU A 73 22.283 7.037 -34.374 1.00 25.32 O ATOM 1139 CB GLU A 73 24.906 7.025 -32.122 1.00 63.13 C ATOM 1140 CG GLU A 73 26.067 8.000 -32.025 1.00 2.41 C ATOM 1141 CD GLU A 73 25.833 9.085 -30.992 1.00 14.22 C ATOM 1142 OE1 GLU A 73 26.137 8.848 -29.804 1.00 11.01 O ATOM 1143 OE2 GLU A 73 25.345 10.170 -31.370 1.00 52.44 O ATOM 0 H GLU A 73 22.891 7.417 -30.490 1.00 44.42 H new ATOM 0 HA GLU A 73 23.756 8.579 -33.063 1.00 5.15 H new ATOM 0 HB2 GLU A 73 24.810 6.492 -31.176 1.00 63.13 H new ATOM 0 HB3 GLU A 73 25.131 6.281 -32.886 1.00 63.13 H new ATOM 0 HG2 GLU A 73 26.976 7.453 -31.773 1.00 2.41 H new ATOM 0 HG3 GLU A 73 26.232 8.460 -32.999 1.00 2.41 H new ATOM 1150 N SER A 74 22.412 5.573 -32.670 1.00 20.14 N ATOM 1151 CA SER A 74 21.588 4.566 -33.328 1.00 63.20 C ATOM 1152 C SER A 74 20.126 5.001 -33.368 1.00 25.24 C ATOM 1153 O SER A 74 19.485 5.157 -32.328 1.00 73.12 O ATOM 1154 CB SER A 74 21.713 3.223 -32.606 1.00 61.31 C ATOM 1155 OG SER A 74 21.725 2.147 -33.529 1.00 13.05 O ATOM 0 H SER A 74 22.742 5.307 -31.742 1.00 20.14 H new ATOM 0 HA SER A 74 21.943 4.454 -34.352 1.00 63.20 H new ATOM 0 HB2 SER A 74 22.628 3.209 -32.014 1.00 61.31 H new ATOM 0 HB3 SER A 74 20.882 3.101 -31.911 1.00 61.31 H new ATOM 0 HG SER A 74 21.919 1.312 -33.055 1.00 13.05 H new ATOM 1161 N HIS A 75 19.606 5.195 -34.575 1.00 51.12 N ATOM 1162 CA HIS A 75 18.219 5.612 -34.752 1.00 63.30 C ATOM 1163 C HIS A 75 17.287 4.404 -34.766 1.00 52.24 C ATOM 1164 O HIS A 75 17.722 3.274 -34.990 1.00 44.45 O ATOM 1165 CB HIS A 75 18.065 6.406 -36.050 1.00 33.45 C ATOM 1166 CG HIS A 75 17.090 7.538 -35.946 1.00 73.24 C ATOM 1167 ND1 HIS A 75 17.238 8.580 -35.055 1.00 73.34 N ATOM 1168 CD2 HIS A 75 15.949 7.789 -36.630 1.00 71.13 C ATOM 1169 CE1 HIS A 75 16.229 9.422 -35.194 1.00 63.34 C ATOM 1170 NE2 HIS A 75 15.433 8.965 -36.144 1.00 41.12 N ATOM 0 H HIS A 75 20.123 5.070 -35.445 1.00 51.12 H new ATOM 0 HA HIS A 75 17.946 6.249 -33.911 1.00 63.30 H new ATOM 0 HB2 HIS A 75 19.038 6.801 -36.343 1.00 33.45 H new ATOM 0 HB3 HIS A 75 17.743 5.731 -36.843 1.00 33.45 H new ATOM 0 HD2 HIS A 75 15.524 7.178 -37.412 1.00 71.13 H new ATOM 0 HE1 HIS A 75 16.080 10.329 -34.627 1.00 63.34 H new ATOM 0 HE2 HIS A 75 14.574 9.413 -36.464 1.00 41.12 H new ATOM 1178 N ILE A 76 16.004 4.651 -34.525 1.00 74.23 N ATOM 1179 CA ILE A 76 15.011 3.584 -34.511 1.00 72.20 C ATOM 1180 C ILE A 76 13.743 4.002 -35.248 1.00 43.35 C ATOM 1181 O ILE A 76 12.752 4.390 -34.630 1.00 20.34 O ATOM 1182 CB ILE A 76 14.643 3.176 -33.072 1.00 41.11 C ATOM 1183 CG1 ILE A 76 15.892 2.729 -32.310 1.00 64.35 C ATOM 1184 CG2 ILE A 76 13.599 2.069 -33.085 1.00 45.24 C ATOM 1185 CD1 ILE A 76 15.713 2.719 -30.808 1.00 44.05 C ATOM 0 H ILE A 76 15.628 5.580 -34.337 1.00 74.23 H new ATOM 0 HA ILE A 76 15.459 2.730 -35.019 1.00 72.20 H new ATOM 0 HB ILE A 76 14.220 4.041 -32.562 1.00 41.11 H new ATOM 0 HG12 ILE A 76 16.171 1.729 -32.641 1.00 64.35 H new ATOM 0 HG13 ILE A 76 16.719 3.391 -32.565 1.00 64.35 H new ATOM 0 HG21 ILE A 76 13.350 1.792 -32.061 1.00 45.24 H new ATOM 0 HG22 ILE A 76 12.702 2.421 -33.594 1.00 45.24 H new ATOM 0 HG23 ILE A 76 13.997 1.200 -33.609 1.00 45.24 H new ATOM 0 HD11 ILE A 76 16.638 2.392 -30.333 1.00 44.05 H new ATOM 0 HD12 ILE A 76 15.464 3.723 -30.465 1.00 44.05 H new ATOM 0 HD13 ILE A 76 14.907 2.035 -30.542 1.00 44.05 H new ATOM 1197 N ASP A 77 13.782 3.920 -36.574 1.00 22.13 N ATOM 1198 CA ASP A 77 12.636 4.287 -37.397 1.00 13.34 C ATOM 1199 C ASP A 77 11.448 3.373 -37.113 1.00 61.43 C ATOM 1200 O ASP A 77 10.295 3.753 -37.316 1.00 11.55 O ATOM 1201 CB ASP A 77 13.003 4.222 -38.880 1.00 24.22 C ATOM 1202 CG ASP A 77 14.067 5.234 -39.258 1.00 21.32 C ATOM 1203 OD1 ASP A 77 13.761 6.445 -39.259 1.00 72.42 O ATOM 1204 OD2 ASP A 77 15.206 4.815 -39.551 1.00 61.14 O ATOM 0 H ASP A 77 14.595 3.602 -37.101 1.00 22.13 H new ATOM 0 HA ASP A 77 12.353 5.309 -37.146 1.00 13.34 H new ATOM 0 HB2 ASP A 77 13.358 3.220 -39.120 1.00 24.22 H new ATOM 0 HB3 ASP A 77 12.110 4.397 -39.480 1.00 24.22 H new ATOM 1209 N LYS A 78 11.738 2.163 -36.645 1.00 12.41 N ATOM 1210 CA LYS A 78 10.695 1.193 -36.333 1.00 40.13 C ATOM 1211 C LYS A 78 11.243 0.067 -35.463 1.00 34.34 C ATOM 1212 O LYS A 78 12.359 -0.406 -35.673 1.00 4.35 O ATOM 1213 CB LYS A 78 10.106 0.615 -37.622 1.00 14.40 C ATOM 1214 CG LYS A 78 11.154 0.239 -38.655 1.00 53.40 C ATOM 1215 CD LYS A 78 10.628 -0.802 -39.629 1.00 41.53 C ATOM 1216 CE LYS A 78 11.743 -1.368 -40.494 1.00 63.54 C ATOM 1217 NZ LYS A 78 12.413 -0.310 -41.300 1.00 71.11 N ATOM 0 H LYS A 78 12.687 1.831 -36.474 1.00 12.41 H new ATOM 0 HA LYS A 78 9.909 1.707 -35.780 1.00 40.13 H new ATOM 0 HB2 LYS A 78 9.516 -0.268 -37.378 1.00 14.40 H new ATOM 0 HB3 LYS A 78 9.423 1.344 -38.058 1.00 14.40 H new ATOM 0 HG2 LYS A 78 11.461 1.129 -39.203 1.00 53.40 H new ATOM 0 HG3 LYS A 78 12.040 -0.147 -38.152 1.00 53.40 H new ATOM 0 HD2 LYS A 78 10.149 -1.610 -39.076 1.00 41.53 H new ATOM 0 HD3 LYS A 78 9.864 -0.354 -40.265 1.00 41.53 H new ATOM 0 HE2 LYS A 78 12.479 -1.862 -39.860 1.00 63.54 H new ATOM 0 HE3 LYS A 78 11.335 -2.128 -41.160 1.00 63.54 H new ATOM 0 HZ1 LYS A 78 13.084 -0.750 -41.961 1.00 71.11 H new ATOM 0 HZ2 LYS A 78 11.698 0.223 -41.835 1.00 71.11 H new ATOM 0 HZ3 LYS A 78 12.925 0.337 -40.667 1.00 71.11 H new ATOM 1231 N ALA A 79 10.448 -0.360 -34.486 1.00 45.30 N ATOM 1232 CA ALA A 79 10.853 -1.433 -33.586 1.00 53.14 C ATOM 1233 C ALA A 79 9.775 -2.508 -33.495 1.00 12.44 C ATOM 1234 O ALA A 79 8.711 -2.386 -34.100 1.00 71.13 O ATOM 1235 CB ALA A 79 11.163 -0.875 -32.205 1.00 65.03 C ATOM 0 H ALA A 79 9.521 0.021 -34.298 1.00 45.30 H new ATOM 0 HA ALA A 79 11.755 -1.893 -33.990 1.00 53.14 H new ATOM 0 HB1 ALA A 79 11.464 -1.687 -31.543 1.00 65.03 H new ATOM 0 HB2 ALA A 79 11.972 -0.149 -32.279 1.00 65.03 H new ATOM 0 HB3 ALA A 79 10.275 -0.389 -31.801 1.00 65.03 H new ATOM 1241 N ASN A 80 10.058 -3.560 -32.734 1.00 10.24 N ATOM 1242 CA ASN A 80 9.112 -4.657 -32.564 1.00 23.01 C ATOM 1243 C ASN A 80 9.631 -5.670 -31.548 1.00 10.03 C ATOM 1244 O ASN A 80 10.838 -5.791 -31.336 1.00 72.34 O ATOM 1245 CB ASN A 80 8.855 -5.348 -33.904 1.00 64.44 C ATOM 1246 CG ASN A 80 7.825 -6.456 -33.796 1.00 11.33 C ATOM 1247 OD1 ASN A 80 8.154 -7.637 -33.902 1.00 74.33 O ATOM 1248 ND2 ASN A 80 6.570 -6.077 -33.583 1.00 20.13 N ATOM 0 H ASN A 80 10.934 -3.676 -32.225 1.00 10.24 H new ATOM 0 HA ASN A 80 8.176 -4.242 -32.191 1.00 23.01 H new ATOM 0 HB2 ASN A 80 8.516 -4.610 -34.631 1.00 64.44 H new ATOM 0 HB3 ASN A 80 9.790 -5.761 -34.282 1.00 64.44 H new ATOM 0 HD21 ASN A 80 5.833 -6.777 -33.501 1.00 20.13 H new ATOM 0 HD22 ASN A 80 6.343 -5.086 -33.502 1.00 20.13 H new ATOM 1255 N PHE A 81 8.711 -6.396 -30.921 1.00 53.15 N ATOM 1256 CA PHE A 81 9.074 -7.399 -29.927 1.00 44.40 C ATOM 1257 C PHE A 81 8.872 -8.808 -30.476 1.00 54.31 C ATOM 1258 O PHE A 81 8.216 -8.999 -31.501 1.00 21.35 O ATOM 1259 CB PHE A 81 8.245 -7.210 -28.655 1.00 70.31 C ATOM 1260 CG PHE A 81 6.768 -7.120 -28.911 1.00 34.33 C ATOM 1261 CD1 PHE A 81 5.993 -8.267 -28.986 1.00 42.22 C ATOM 1262 CD2 PHE A 81 6.153 -5.889 -29.075 1.00 22.42 C ATOM 1263 CE1 PHE A 81 4.634 -8.187 -29.222 1.00 53.41 C ATOM 1264 CE2 PHE A 81 4.794 -5.803 -29.311 1.00 0.04 C ATOM 1265 CZ PHE A 81 4.033 -6.953 -29.383 1.00 62.32 C ATOM 0 H PHE A 81 7.708 -6.308 -31.084 1.00 53.15 H new ATOM 0 HA PHE A 81 10.129 -7.271 -29.687 1.00 44.40 H new ATOM 0 HB2 PHE A 81 8.438 -8.042 -27.978 1.00 70.31 H new ATOM 0 HB3 PHE A 81 8.574 -6.303 -28.148 1.00 70.31 H new ATOM 0 HD1 PHE A 81 6.457 -9.234 -28.859 1.00 42.22 H new ATOM 0 HD2 PHE A 81 6.743 -4.986 -29.018 1.00 22.42 H new ATOM 0 HE1 PHE A 81 4.042 -9.088 -29.281 1.00 53.41 H new ATOM 0 HE2 PHE A 81 4.328 -4.837 -29.439 1.00 0.04 H new ATOM 0 HZ PHE A 81 2.970 -6.888 -29.565 1.00 62.32 H new ATOM 1275 N LYS A 82 9.439 -9.792 -29.787 1.00 44.13 N ATOM 1276 CA LYS A 82 9.322 -11.184 -30.203 1.00 71.43 C ATOM 1277 C LYS A 82 8.328 -11.934 -29.321 1.00 43.23 C ATOM 1278 O LYS A 82 7.222 -12.257 -29.752 1.00 44.25 O ATOM 1279 CB LYS A 82 10.688 -11.872 -30.148 1.00 42.43 C ATOM 1280 CG LYS A 82 11.733 -11.220 -31.038 1.00 21.05 C ATOM 1281 CD LYS A 82 11.684 -11.773 -32.452 1.00 42.52 C ATOM 1282 CE LYS A 82 12.608 -12.970 -32.615 1.00 33.10 C ATOM 1283 NZ LYS A 82 12.419 -13.641 -33.931 1.00 32.32 N ATOM 0 H LYS A 82 9.985 -9.651 -28.937 1.00 44.13 H new ATOM 0 HA LYS A 82 8.955 -11.200 -31.229 1.00 71.43 H new ATOM 0 HB2 LYS A 82 11.046 -11.869 -29.119 1.00 42.43 H new ATOM 0 HB3 LYS A 82 10.572 -12.915 -30.442 1.00 42.43 H new ATOM 0 HG2 LYS A 82 11.571 -10.142 -31.062 1.00 21.05 H new ATOM 0 HG3 LYS A 82 12.725 -11.384 -30.616 1.00 21.05 H new ATOM 0 HD2 LYS A 82 10.662 -12.065 -32.694 1.00 42.52 H new ATOM 0 HD3 LYS A 82 11.969 -10.993 -33.159 1.00 42.52 H new ATOM 0 HE2 LYS A 82 13.644 -12.645 -32.518 1.00 33.10 H new ATOM 0 HE3 LYS A 82 12.422 -13.684 -31.813 1.00 33.10 H new ATOM 0 HZ1 LYS A 82 13.067 -14.452 -34.004 1.00 32.32 H new ATOM 0 HZ2 LYS A 82 11.437 -13.974 -34.013 1.00 32.32 H new ATOM 0 HZ3 LYS A 82 12.621 -12.967 -34.697 1.00 32.32 H new ATOM 1297 N ASN A 83 8.730 -12.206 -28.084 1.00 2.41 N ATOM 1298 CA ASN A 83 7.874 -12.916 -27.141 1.00 60.10 C ATOM 1299 C ASN A 83 8.507 -12.954 -25.753 1.00 50.14 C ATOM 1300 O ASN A 83 9.616 -13.458 -25.580 1.00 71.44 O ATOM 1301 CB ASN A 83 7.611 -14.341 -27.633 1.00 12.22 C ATOM 1302 CG ASN A 83 6.972 -15.211 -26.568 1.00 31.21 C ATOM 1303 OD1 ASN A 83 7.610 -16.110 -26.019 1.00 44.44 O ATOM 1304 ND2 ASN A 83 5.705 -14.948 -26.271 1.00 34.12 N ATOM 0 H ASN A 83 9.643 -11.946 -27.711 1.00 2.41 H new ATOM 0 HA ASN A 83 6.927 -12.381 -27.074 1.00 60.10 H new ATOM 0 HB2 ASN A 83 6.962 -14.306 -28.508 1.00 12.22 H new ATOM 0 HB3 ASN A 83 8.551 -14.792 -27.951 1.00 12.22 H new ATOM 0 HD21 ASN A 83 5.222 -15.501 -25.563 1.00 34.12 H new ATOM 0 HD22 ASN A 83 5.215 -14.193 -26.751 1.00 34.12 H new ATOM 1311 N GLU A 84 7.793 -12.417 -24.768 1.00 64.35 N ATOM 1312 CA GLU A 84 8.286 -12.390 -23.396 1.00 40.23 C ATOM 1313 C GLU A 84 8.311 -13.794 -22.799 1.00 50.10 C ATOM 1314 O GLU A 84 7.760 -14.735 -23.371 1.00 43.44 O ATOM 1315 CB GLU A 84 7.414 -11.473 -22.536 1.00 32.20 C ATOM 1316 CG GLU A 84 5.963 -11.917 -22.451 1.00 40.15 C ATOM 1317 CD GLU A 84 5.125 -11.006 -21.576 1.00 35.33 C ATOM 1318 OE1 GLU A 84 4.977 -9.817 -21.925 1.00 42.34 O ATOM 1319 OE2 GLU A 84 4.615 -11.484 -20.540 1.00 63.22 O ATOM 0 H GLU A 84 6.873 -11.996 -24.895 1.00 64.35 H new ATOM 0 HA GLU A 84 9.305 -12.002 -23.410 1.00 40.23 H new ATOM 0 HB2 GLU A 84 7.831 -11.428 -21.530 1.00 32.20 H new ATOM 0 HB3 GLU A 84 7.453 -10.462 -22.943 1.00 32.20 H new ATOM 0 HG2 GLU A 84 5.536 -11.945 -23.454 1.00 40.15 H new ATOM 0 HG3 GLU A 84 5.920 -12.933 -22.058 1.00 40.15 H new ATOM 1326 N LYS A 85 8.955 -13.928 -21.644 1.00 55.23 N ATOM 1327 CA LYS A 85 9.052 -15.215 -20.967 1.00 62.31 C ATOM 1328 C LYS A 85 9.145 -15.030 -19.456 1.00 10.40 C ATOM 1329 O LYS A 85 10.143 -14.523 -18.943 1.00 14.32 O ATOM 1330 CB LYS A 85 10.272 -15.989 -21.472 1.00 71.34 C ATOM 1331 CG LYS A 85 10.408 -17.374 -20.864 1.00 23.23 C ATOM 1332 CD LYS A 85 9.368 -18.332 -21.419 1.00 62.54 C ATOM 1333 CE LYS A 85 9.605 -19.755 -20.935 1.00 2.43 C ATOM 1334 NZ LYS A 85 8.739 -20.735 -21.647 1.00 3.22 N ATOM 0 H LYS A 85 9.418 -13.160 -21.158 1.00 55.23 H new ATOM 0 HA LYS A 85 8.149 -15.784 -21.191 1.00 62.31 H new ATOM 0 HB2 LYS A 85 10.210 -16.082 -22.556 1.00 71.34 H new ATOM 0 HB3 LYS A 85 11.172 -15.415 -21.253 1.00 71.34 H new ATOM 0 HG2 LYS A 85 11.406 -17.764 -21.064 1.00 23.23 H new ATOM 0 HG3 LYS A 85 10.302 -17.309 -19.781 1.00 23.23 H new ATOM 0 HD2 LYS A 85 8.373 -18.005 -21.117 1.00 62.54 H new ATOM 0 HD3 LYS A 85 9.395 -18.308 -22.508 1.00 62.54 H new ATOM 0 HE2 LYS A 85 10.652 -20.020 -21.085 1.00 2.43 H new ATOM 0 HE3 LYS A 85 9.412 -19.811 -19.864 1.00 2.43 H new ATOM 0 HZ1 LYS A 85 8.931 -21.692 -21.289 1.00 3.22 H new ATOM 0 HZ2 LYS A 85 7.740 -20.498 -21.484 1.00 3.22 H new ATOM 0 HZ3 LYS A 85 8.941 -20.700 -22.667 1.00 3.22 H new ATOM 1348 N VAL A 86 8.099 -15.445 -18.748 1.00 3.41 N ATOM 1349 CA VAL A 86 8.064 -15.326 -17.295 1.00 62.31 C ATOM 1350 C VAL A 86 9.142 -16.189 -16.647 1.00 53.54 C ATOM 1351 O VAL A 86 9.106 -17.416 -16.738 1.00 62.10 O ATOM 1352 CB VAL A 86 6.689 -15.733 -16.732 1.00 5.21 C ATOM 1353 CG1 VAL A 86 6.680 -15.622 -15.215 1.00 31.51 C ATOM 1354 CG2 VAL A 86 5.590 -14.878 -17.344 1.00 33.32 C ATOM 0 H VAL A 86 7.265 -15.866 -19.157 1.00 3.41 H new ATOM 0 HA VAL A 86 8.250 -14.278 -17.058 1.00 62.31 H new ATOM 0 HB VAL A 86 6.499 -16.773 -16.997 1.00 5.21 H new ATOM 0 HG11 VAL A 86 5.701 -15.913 -14.835 1.00 31.51 H new ATOM 0 HG12 VAL A 86 7.442 -16.280 -14.798 1.00 31.51 H new ATOM 0 HG13 VAL A 86 6.891 -14.593 -14.924 1.00 31.51 H new ATOM 0 HG21 VAL A 86 4.625 -15.179 -16.936 1.00 33.32 H new ATOM 0 HG22 VAL A 86 5.772 -13.829 -17.110 1.00 33.32 H new ATOM 0 HG23 VAL A 86 5.584 -15.013 -18.426 1.00 33.32 H new ATOM 1364 N ILE A 87 10.098 -15.538 -15.994 1.00 24.24 N ATOM 1365 CA ILE A 87 11.186 -16.246 -15.329 1.00 54.10 C ATOM 1366 C ILE A 87 11.244 -15.895 -13.846 1.00 64.22 C ATOM 1367 O ILE A 87 11.033 -14.745 -13.460 1.00 41.31 O ATOM 1368 CB ILE A 87 12.546 -15.923 -15.976 1.00 33.23 C ATOM 1369 CG1 ILE A 87 12.798 -14.414 -15.959 1.00 32.23 C ATOM 1370 CG2 ILE A 87 12.596 -16.458 -17.399 1.00 74.10 C ATOM 1371 CD1 ILE A 87 14.160 -14.023 -16.489 1.00 34.14 C ATOM 0 H ILE A 87 10.142 -14.522 -15.911 1.00 24.24 H new ATOM 0 HA ILE A 87 10.984 -17.311 -15.440 1.00 54.10 H new ATOM 0 HB ILE A 87 13.331 -16.410 -15.398 1.00 33.23 H new ATOM 0 HG12 ILE A 87 12.030 -13.919 -16.553 1.00 32.23 H new ATOM 0 HG13 ILE A 87 12.696 -14.048 -14.937 1.00 32.23 H new ATOM 0 HG21 ILE A 87 13.563 -16.222 -17.843 1.00 74.10 H new ATOM 0 HG22 ILE A 87 12.457 -17.539 -17.386 1.00 74.10 H new ATOM 0 HG23 ILE A 87 11.804 -15.997 -17.989 1.00 74.10 H new ATOM 0 HD11 ILE A 87 14.269 -12.939 -16.447 1.00 34.14 H new ATOM 0 HD12 ILE A 87 14.935 -14.490 -15.881 1.00 34.14 H new ATOM 0 HD13 ILE A 87 14.259 -14.358 -17.522 1.00 34.14 H new ATOM 1383 N LEU A 88 11.534 -16.893 -13.019 1.00 65.40 N ATOM 1384 CA LEU A 88 11.624 -16.691 -11.577 1.00 54.21 C ATOM 1385 C LEU A 88 12.718 -15.684 -11.235 1.00 74.41 C ATOM 1386 O LEU A 88 12.564 -14.868 -10.326 1.00 73.23 O ATOM 1387 CB LEU A 88 11.899 -18.020 -10.872 1.00 11.14 C ATOM 1388 CG LEU A 88 10.669 -18.847 -10.494 1.00 2.41 C ATOM 1389 CD1 LEU A 88 10.069 -19.505 -11.727 1.00 1.54 C ATOM 1390 CD2 LEU A 88 11.031 -19.894 -9.451 1.00 15.24 C ATOM 0 H LEU A 88 11.711 -17.851 -13.322 1.00 65.40 H new ATOM 0 HA LEU A 88 10.670 -16.294 -11.230 1.00 54.21 H new ATOM 0 HB2 LEU A 88 12.535 -18.626 -11.517 1.00 11.14 H new ATOM 0 HB3 LEU A 88 12.468 -17.816 -9.965 1.00 11.14 H new ATOM 0 HG LEU A 88 9.923 -18.178 -10.065 1.00 2.41 H new ATOM 0 HD11 LEU A 88 9.195 -20.089 -11.439 1.00 1.54 H new ATOM 0 HD12 LEU A 88 9.773 -18.737 -12.441 1.00 1.54 H new ATOM 0 HD13 LEU A 88 10.809 -20.161 -12.186 1.00 1.54 H new ATOM 0 HD21 LEU A 88 10.144 -20.473 -9.194 1.00 15.24 H new ATOM 0 HD22 LEU A 88 11.795 -20.559 -9.853 1.00 15.24 H new ATOM 0 HD23 LEU A 88 11.414 -19.400 -8.558 1.00 15.24 H new ATOM 1402 N LYS A 89 13.822 -15.747 -11.971 1.00 3.53 N ATOM 1403 CA LYS A 89 14.942 -14.839 -11.749 1.00 52.00 C ATOM 1404 C LYS A 89 15.652 -14.521 -13.061 1.00 4.13 C ATOM 1405 O LYS A 89 15.742 -15.367 -13.951 1.00 61.31 O ATOM 1406 CB LYS A 89 15.932 -15.451 -10.756 1.00 0.14 C ATOM 1407 CG LYS A 89 15.285 -15.926 -9.466 1.00 51.02 C ATOM 1408 CD LYS A 89 16.308 -16.529 -8.518 1.00 72.11 C ATOM 1409 CE LYS A 89 16.774 -17.896 -8.997 1.00 11.50 C ATOM 1410 NZ LYS A 89 15.815 -18.971 -8.622 1.00 21.52 N ATOM 0 H LYS A 89 13.966 -16.417 -12.726 1.00 3.53 H new ATOM 0 HA LYS A 89 14.549 -13.911 -11.335 1.00 52.00 H new ATOM 0 HB2 LYS A 89 16.437 -16.292 -11.231 1.00 0.14 H new ATOM 0 HB3 LYS A 89 16.698 -14.713 -10.518 1.00 0.14 H new ATOM 0 HG2 LYS A 89 14.785 -15.089 -8.979 1.00 51.02 H new ATOM 0 HG3 LYS A 89 14.518 -16.666 -9.694 1.00 51.02 H new ATOM 0 HD2 LYS A 89 17.165 -15.861 -8.433 1.00 72.11 H new ATOM 0 HD3 LYS A 89 15.874 -16.620 -7.522 1.00 72.11 H new ATOM 0 HE2 LYS A 89 16.896 -17.879 -10.080 1.00 11.50 H new ATOM 0 HE3 LYS A 89 17.752 -18.117 -8.570 1.00 11.50 H new ATOM 0 HZ1 LYS A 89 16.168 -19.887 -8.966 1.00 21.52 H new ATOM 0 HZ2 LYS A 89 15.718 -19.004 -7.587 1.00 21.52 H new ATOM 0 HZ3 LYS A 89 14.888 -18.774 -9.051 1.00 21.52 H new ATOM 1424 N LEU A 90 16.157 -13.297 -13.173 1.00 62.31 N ATOM 1425 CA LEU A 90 16.862 -12.868 -14.376 1.00 51.11 C ATOM 1426 C LEU A 90 18.184 -13.612 -14.527 1.00 65.54 C ATOM 1427 O LEU A 90 18.913 -13.809 -13.554 1.00 52.43 O ATOM 1428 CB LEU A 90 17.115 -11.360 -14.332 1.00 14.10 C ATOM 1429 CG LEU A 90 15.968 -10.502 -13.796 1.00 33.53 C ATOM 1430 CD1 LEU A 90 16.307 -9.025 -13.911 1.00 51.53 C ATOM 1431 CD2 LEU A 90 14.676 -10.815 -14.538 1.00 3.14 C ATOM 0 H LEU A 90 16.091 -12.585 -12.446 1.00 62.31 H new ATOM 0 HA LEU A 90 16.235 -13.100 -15.237 1.00 51.11 H new ATOM 0 HB2 LEU A 90 17.996 -11.178 -13.717 1.00 14.10 H new ATOM 0 HB3 LEU A 90 17.354 -11.022 -15.340 1.00 14.10 H new ATOM 0 HG LEU A 90 15.824 -10.739 -12.742 1.00 33.53 H new ATOM 0 HD11 LEU A 90 15.479 -8.431 -13.525 1.00 51.53 H new ATOM 0 HD12 LEU A 90 17.207 -8.812 -13.334 1.00 51.53 H new ATOM 0 HD13 LEU A 90 16.479 -8.771 -14.957 1.00 51.53 H new ATOM 0 HD21 LEU A 90 13.871 -10.195 -14.144 1.00 3.14 H new ATOM 0 HD22 LEU A 90 14.807 -10.607 -15.600 1.00 3.14 H new ATOM 0 HD23 LEU A 90 14.424 -11.867 -14.402 1.00 3.14 H new ATOM 1443 N ASP A 91 18.489 -14.023 -15.753 1.00 43.15 N ATOM 1444 CA ASP A 91 19.726 -14.743 -16.033 1.00 62.03 C ATOM 1445 C ASP A 91 20.927 -13.804 -15.974 1.00 70.11 C ATOM 1446 O ASP A 91 22.050 -14.232 -15.705 1.00 13.11 O ATOM 1447 CB ASP A 91 19.653 -15.411 -17.407 1.00 73.12 C ATOM 1448 CG ASP A 91 18.452 -16.327 -17.542 1.00 63.12 C ATOM 1449 OD1 ASP A 91 17.981 -16.844 -16.508 1.00 3.54 O ATOM 1450 OD2 ASP A 91 17.984 -16.528 -18.683 1.00 21.24 O ATOM 0 H ASP A 91 17.896 -13.870 -16.569 1.00 43.15 H new ATOM 0 HA ASP A 91 19.850 -15.511 -15.270 1.00 62.03 H new ATOM 0 HB2 ASP A 91 19.609 -14.643 -18.179 1.00 73.12 H new ATOM 0 HB3 ASP A 91 20.564 -15.984 -17.578 1.00 73.12 H new ATOM 1455 N TYR A 92 20.683 -12.523 -16.228 1.00 70.32 N ATOM 1456 CA TYR A 92 21.745 -11.524 -16.207 1.00 73.23 C ATOM 1457 C TYR A 92 21.836 -10.855 -14.839 1.00 65.31 C ATOM 1458 O TYR A 92 20.854 -10.790 -14.100 1.00 61.42 O ATOM 1459 CB TYR A 92 21.502 -10.469 -17.288 1.00 22.11 C ATOM 1460 CG TYR A 92 22.195 -10.773 -18.597 1.00 73.12 C ATOM 1461 CD1 TYR A 92 21.778 -11.830 -19.397 1.00 40.44 C ATOM 1462 CD2 TYR A 92 23.265 -10.003 -19.034 1.00 43.34 C ATOM 1463 CE1 TYR A 92 22.408 -12.111 -20.594 1.00 24.21 C ATOM 1464 CE2 TYR A 92 23.901 -10.276 -20.230 1.00 72.22 C ATOM 1465 CZ TYR A 92 23.469 -11.332 -21.006 1.00 50.41 C ATOM 1466 OH TYR A 92 24.099 -11.608 -22.198 1.00 73.10 O ATOM 0 H TYR A 92 19.759 -12.152 -16.451 1.00 70.32 H new ATOM 0 HA TYR A 92 22.690 -12.030 -16.408 1.00 73.23 H new ATOM 0 HB2 TYR A 92 20.430 -10.383 -17.465 1.00 22.11 H new ATOM 0 HB3 TYR A 92 21.843 -9.501 -16.922 1.00 22.11 H new ATOM 0 HD1 TYR A 92 20.947 -12.442 -19.078 1.00 40.44 H new ATOM 0 HD2 TYR A 92 23.606 -9.176 -18.428 1.00 43.34 H new ATOM 0 HE1 TYR A 92 22.071 -12.936 -21.204 1.00 24.21 H new ATOM 0 HE2 TYR A 92 24.731 -9.667 -20.555 1.00 72.22 H new ATOM 0 HH TYR A 92 23.502 -11.387 -22.943 1.00 73.10 H new ATOM 1476 N SER A 93 23.024 -10.358 -14.509 1.00 64.52 N ATOM 1477 CA SER A 93 23.247 -9.697 -13.229 1.00 3.20 C ATOM 1478 C SER A 93 23.223 -8.180 -13.390 1.00 43.21 C ATOM 1479 O SER A 93 22.825 -7.454 -12.479 1.00 30.00 O ATOM 1480 CB SER A 93 24.585 -10.136 -12.630 1.00 34.32 C ATOM 1481 OG SER A 93 24.862 -9.433 -11.431 1.00 60.31 O ATOM 0 H SER A 93 23.847 -10.401 -15.111 1.00 64.52 H new ATOM 0 HA SER A 93 22.442 -9.987 -12.554 1.00 3.20 H new ATOM 0 HB2 SER A 93 24.564 -11.207 -12.430 1.00 34.32 H new ATOM 0 HB3 SER A 93 25.384 -9.962 -13.350 1.00 34.32 H new ATOM 0 HG SER A 93 25.721 -9.733 -11.067 1.00 60.31 H new ATOM 1487 N ASP A 94 23.653 -7.708 -14.555 1.00 74.35 N ATOM 1488 CA ASP A 94 23.680 -6.278 -14.838 1.00 40.12 C ATOM 1489 C ASP A 94 23.802 -6.023 -16.337 1.00 53.52 C ATOM 1490 O ASP A 94 24.432 -6.795 -17.060 1.00 53.10 O ATOM 1491 CB ASP A 94 24.842 -5.612 -14.099 1.00 31.51 C ATOM 1492 CG ASP A 94 26.187 -5.953 -14.709 1.00 23.32 C ATOM 1493 OD1 ASP A 94 26.740 -7.021 -14.369 1.00 1.53 O ATOM 1494 OD2 ASP A 94 26.687 -5.153 -15.527 1.00 21.32 O ATOM 0 H ASP A 94 23.988 -8.295 -15.319 1.00 74.35 H new ATOM 0 HA ASP A 94 22.742 -5.846 -14.489 1.00 40.12 H new ATOM 0 HB2 ASP A 94 24.704 -4.531 -14.111 1.00 31.51 H new ATOM 0 HB3 ASP A 94 24.831 -5.923 -13.054 1.00 31.51 H new ATOM 1499 N PHE A 95 23.194 -4.934 -16.798 1.00 72.41 N ATOM 1500 CA PHE A 95 23.232 -4.578 -18.212 1.00 22.13 C ATOM 1501 C PHE A 95 24.672 -4.440 -18.699 1.00 34.21 C ATOM 1502 O PHE A 95 25.418 -3.583 -18.226 1.00 73.31 O ATOM 1503 CB PHE A 95 22.473 -3.271 -18.451 1.00 24.13 C ATOM 1504 CG PHE A 95 21.731 -3.239 -19.756 1.00 33.22 C ATOM 1505 CD1 PHE A 95 22.337 -3.672 -20.924 1.00 42.30 C ATOM 1506 CD2 PHE A 95 20.426 -2.776 -19.814 1.00 41.05 C ATOM 1507 CE1 PHE A 95 21.656 -3.644 -22.127 1.00 25.13 C ATOM 1508 CE2 PHE A 95 19.740 -2.746 -21.014 1.00 63.40 C ATOM 1509 CZ PHE A 95 20.357 -3.180 -22.172 1.00 14.33 C ATOM 0 H PHE A 95 22.670 -4.283 -16.213 1.00 72.41 H new ATOM 0 HA PHE A 95 22.751 -5.377 -18.776 1.00 22.13 H new ATOM 0 HB2 PHE A 95 21.766 -3.117 -17.636 1.00 24.13 H new ATOM 0 HB3 PHE A 95 23.178 -2.440 -18.423 1.00 24.13 H new ATOM 0 HD1 PHE A 95 23.353 -4.036 -20.895 1.00 42.30 H new ATOM 0 HD2 PHE A 95 19.940 -2.435 -18.912 1.00 41.05 H new ATOM 0 HE1 PHE A 95 22.140 -3.985 -23.030 1.00 25.13 H new ATOM 0 HE2 PHE A 95 18.723 -2.384 -21.046 1.00 63.40 H new ATOM 0 HZ PHE A 95 19.823 -3.156 -23.111 1.00 14.33 H new ATOM 1519 N GLN A 96 25.053 -5.290 -19.646 1.00 63.54 N ATOM 1520 CA GLN A 96 26.403 -5.264 -20.197 1.00 23.42 C ATOM 1521 C GLN A 96 26.372 -5.038 -21.705 1.00 21.33 C ATOM 1522 O GLN A 96 25.312 -5.092 -22.328 1.00 55.41 O ATOM 1523 CB GLN A 96 27.131 -6.572 -19.880 1.00 42.01 C ATOM 1524 CG GLN A 96 28.637 -6.413 -19.744 1.00 51.43 C ATOM 1525 CD GLN A 96 29.247 -7.424 -18.794 1.00 64.03 C ATOM 1526 OE1 GLN A 96 29.934 -8.354 -19.217 1.00 64.32 O ATOM 1527 NE2 GLN A 96 29.000 -7.247 -17.502 1.00 31.13 N ATOM 0 H GLN A 96 24.447 -6.005 -20.048 1.00 63.54 H new ATOM 0 HA GLN A 96 26.941 -4.436 -19.735 1.00 23.42 H new ATOM 0 HB2 GLN A 96 26.732 -6.984 -18.953 1.00 42.01 H new ATOM 0 HB3 GLN A 96 26.920 -7.296 -20.667 1.00 42.01 H new ATOM 0 HG2 GLN A 96 29.100 -6.517 -20.725 1.00 51.43 H new ATOM 0 HG3 GLN A 96 28.862 -5.407 -19.391 1.00 51.43 H new ATOM 0 HE21 GLN A 96 28.425 -6.462 -17.196 1.00 31.13 H new ATOM 0 HE22 GLN A 96 29.385 -7.896 -16.816 1.00 31.13 H new ATOM 1536 N ILE A 97 27.541 -4.786 -22.284 1.00 53.34 N ATOM 1537 CA ILE A 97 27.647 -4.552 -23.719 1.00 75.32 C ATOM 1538 C ILE A 97 28.372 -5.701 -24.411 1.00 63.20 C ATOM 1539 O ILE A 97 29.318 -6.271 -23.866 1.00 11.42 O ATOM 1540 CB ILE A 97 28.386 -3.236 -24.022 1.00 43.05 C ATOM 1541 CG1 ILE A 97 27.667 -2.058 -23.364 1.00 15.55 C ATOM 1542 CG2 ILE A 97 28.496 -3.024 -25.525 1.00 54.20 C ATOM 1543 CD1 ILE A 97 28.475 -0.779 -23.364 1.00 53.13 C ATOM 0 H ILE A 97 28.428 -4.739 -21.782 1.00 53.34 H new ATOM 0 HA ILE A 97 26.629 -4.484 -24.104 1.00 75.32 H new ATOM 0 HB ILE A 97 29.393 -3.299 -23.609 1.00 43.05 H new ATOM 0 HG12 ILE A 97 26.725 -1.883 -23.883 1.00 15.55 H new ATOM 0 HG13 ILE A 97 27.420 -2.322 -22.336 1.00 15.55 H new ATOM 0 HG21 ILE A 97 29.021 -2.089 -25.723 1.00 54.20 H new ATOM 0 HG22 ILE A 97 29.048 -3.852 -25.970 1.00 54.20 H new ATOM 0 HG23 ILE A 97 27.498 -2.979 -25.960 1.00 54.20 H new ATOM 0 HD11 ILE A 97 27.902 0.013 -22.881 1.00 53.13 H new ATOM 0 HD12 ILE A 97 29.406 -0.937 -22.820 1.00 53.13 H new ATOM 0 HD13 ILE A 97 28.699 -0.490 -24.391 1.00 53.13 H new ATOM 1555 N VAL A 98 27.924 -6.036 -25.617 1.00 23.42 N ATOM 1556 CA VAL A 98 28.533 -7.116 -26.386 1.00 14.34 C ATOM 1557 C VAL A 98 29.607 -6.582 -27.326 1.00 61.34 C ATOM 1558 O VAL A 98 29.379 -5.629 -28.072 1.00 34.24 O ATOM 1559 CB VAL A 98 27.479 -7.881 -27.208 1.00 65.44 C ATOM 1560 CG1 VAL A 98 28.092 -9.126 -27.834 1.00 14.51 C ATOM 1561 CG2 VAL A 98 26.285 -8.244 -26.339 1.00 23.22 C ATOM 0 H VAL A 98 27.142 -5.576 -26.083 1.00 23.42 H new ATOM 0 HA VAL A 98 28.989 -7.799 -25.669 1.00 14.34 H new ATOM 0 HB VAL A 98 27.129 -7.233 -28.012 1.00 65.44 H new ATOM 0 HG11 VAL A 98 27.333 -9.654 -28.411 1.00 14.51 H new ATOM 0 HG12 VAL A 98 28.912 -8.837 -28.491 1.00 14.51 H new ATOM 0 HG13 VAL A 98 28.471 -9.780 -27.048 1.00 14.51 H new ATOM 0 HG21 VAL A 98 25.551 -8.784 -26.937 1.00 23.22 H new ATOM 0 HG22 VAL A 98 26.614 -8.874 -25.513 1.00 23.22 H new ATOM 0 HG23 VAL A 98 25.833 -7.334 -25.944 1.00 23.22 H new ATOM 1571 N LYS A 99 30.781 -7.204 -27.288 1.00 10.43 N ATOM 1572 CA LYS A 99 31.892 -6.794 -28.138 1.00 5.22 C ATOM 1573 C LYS A 99 31.714 -7.320 -29.558 1.00 53.34 C ATOM 1574 O LYS A 99 32.255 -8.367 -29.916 1.00 15.42 O ATOM 1575 CB LYS A 99 33.217 -7.297 -27.559 1.00 73.40 C ATOM 1576 CG LYS A 99 33.458 -6.862 -26.124 1.00 32.41 C ATOM 1577 CD LYS A 99 34.940 -6.832 -25.792 1.00 23.31 C ATOM 1578 CE LYS A 99 35.451 -8.210 -25.399 1.00 4.13 C ATOM 1579 NZ LYS A 99 35.884 -9.000 -26.584 1.00 72.34 N ATOM 0 H LYS A 99 30.987 -7.994 -26.677 1.00 10.43 H new ATOM 0 HA LYS A 99 31.907 -5.705 -28.172 1.00 5.22 H new ATOM 0 HB2 LYS A 99 33.235 -8.386 -27.608 1.00 73.40 H new ATOM 0 HB3 LYS A 99 34.036 -6.937 -28.181 1.00 73.40 H new ATOM 0 HG2 LYS A 99 33.029 -5.873 -25.966 1.00 32.41 H new ATOM 0 HG3 LYS A 99 32.946 -7.544 -25.445 1.00 32.41 H new ATOM 0 HD2 LYS A 99 35.500 -6.467 -26.653 1.00 23.31 H new ATOM 0 HD3 LYS A 99 35.117 -6.131 -24.977 1.00 23.31 H new ATOM 0 HE2 LYS A 99 36.287 -8.104 -24.708 1.00 4.13 H new ATOM 0 HE3 LYS A 99 34.667 -8.751 -24.869 1.00 4.13 H new ATOM 0 HZ1 LYS A 99 35.405 -9.923 -26.579 1.00 72.34 H new ATOM 0 HZ2 LYS A 99 35.636 -8.486 -27.453 1.00 72.34 H new ATOM 0 HZ3 LYS A 99 36.913 -9.143 -26.548 1.00 72.34 H new TER 1593 LYS A 99