USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 46 GLN : amide:sc= -1.4! K(o=-0.92!,f=-1.5) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -142:sc= 0.481 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.0517 USER MOD Set 2.2: A 44 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.4!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -109:sc= -2.37! (180deg=-5.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -95:sc= 1.37 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0535 X(o=-0.054,f=-0.41) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.673 USER MOD Single : A 28 SER OG : rot 39:sc= 0.0799 USER MOD Single : A 33 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 34 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.013) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 36 TYR OH : rot -140:sc= -0.462 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.16) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 1.67 K(o=1.7,f=-1.7) USER MOD Single : A 54 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.104 (180deg=-0.616) USER MOD Single : A 58 TYR OH : rot 30:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -2.01! (180deg=-4.12!) USER MOD Single : A 65 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.11) USER MOD Single : A 67 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.56) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 73 THR OG1 : rot -170:sc= -0.53 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.724 3.291 1.703 1.00 72.44 N ATOM 2 CA PRO A 1 -10.629 4.154 1.209 1.00 63.23 C ATOM 3 C PRO A 1 -9.840 3.451 0.112 1.00 50.34 C ATOM 4 O PRO A 1 -9.996 2.247 -0.101 1.00 54.34 O ATOM 5 CB PRO A 1 -9.708 4.495 2.372 1.00 35.02 C ATOM 6 CG PRO A 1 -10.228 3.659 3.488 1.00 24.21 C ATOM 7 CD PRO A 1 -11.682 3.391 3.172 1.00 63.42 C ATOM 0 H2 PRO A 1 -11.595 2.326 1.398 1.00 72.44 H new ATOM 0 H3 PRO A 1 -12.626 3.601 1.341 1.00 72.44 H new ATOM 0 HA PRO A 1 -11.054 5.066 0.789 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -8.669 4.257 2.144 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -9.746 5.557 2.615 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -9.669 2.727 3.569 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -10.126 4.176 4.442 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -12.028 2.471 3.643 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -12.322 4.195 3.534 1.00 63.42 H new ATOM 17 N GLY A 2 -9.004 4.205 -0.585 1.00 35.53 N ATOM 18 CA GLY A 2 -8.159 3.630 -1.609 1.00 24.52 C ATOM 19 C GLY A 2 -8.748 3.796 -2.992 1.00 1.40 C ATOM 20 O GLY A 2 -8.819 4.909 -3.517 1.00 22.44 O ATOM 0 H GLY A 2 -8.896 5.211 -0.458 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -7.177 4.101 -1.575 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -8.011 2.570 -1.403 1.00 24.52 H new ATOM 24 N SER A 3 -9.181 2.695 -3.579 1.00 10.13 N ATOM 25 CA SER A 3 -9.775 2.724 -4.901 1.00 12.40 C ATOM 26 C SER A 3 -11.217 3.216 -4.834 1.00 50.22 C ATOM 27 O SER A 3 -12.135 2.445 -4.550 1.00 24.11 O ATOM 28 CB SER A 3 -9.711 1.334 -5.540 1.00 44.31 C ATOM 29 OG SER A 3 -8.375 0.862 -5.600 1.00 54.01 O ATOM 0 H SER A 3 -9.132 1.767 -3.158 1.00 10.13 H new ATOM 0 HA SER A 3 -9.208 3.419 -5.520 1.00 12.40 H new ATOM 0 HB2 SER A 3 -10.321 0.637 -4.965 1.00 44.31 H new ATOM 0 HB3 SER A 3 -10.132 1.372 -6.545 1.00 44.31 H new ATOM 0 HG SER A 3 -8.361 -0.028 -6.010 1.00 54.01 H new ATOM 35 N MET A 4 -11.405 4.513 -5.057 1.00 64.30 N ATOM 36 CA MET A 4 -12.741 5.083 -5.137 1.00 73.21 C ATOM 37 C MET A 4 -13.388 4.665 -6.449 1.00 42.35 C ATOM 38 O MET A 4 -14.600 4.470 -6.529 1.00 54.24 O ATOM 39 CB MET A 4 -12.695 6.609 -5.023 1.00 72.52 C ATOM 40 CG MET A 4 -12.248 7.126 -3.658 1.00 21.33 C ATOM 41 SD MET A 4 -13.433 6.784 -2.332 1.00 14.12 S ATOM 42 CE MET A 4 -13.093 5.062 -1.963 1.00 12.30 C ATOM 0 H MET A 4 -10.649 5.186 -5.185 1.00 64.30 H new ATOM 0 HA MET A 4 -13.336 4.708 -4.304 1.00 73.21 H new ATOM 0 HB2 MET A 4 -12.019 6.998 -5.784 1.00 72.52 H new ATOM 0 HB3 MET A 4 -13.685 7.008 -5.242 1.00 72.52 H new ATOM 0 HG2 MET A 4 -11.289 6.674 -3.403 1.00 21.33 H new ATOM 0 HG3 MET A 4 -12.086 8.202 -3.721 1.00 21.33 H new ATOM 0 HE1 MET A 4 -13.921 4.445 -2.312 1.00 12.30 H new ATOM 0 HE2 MET A 4 -12.175 4.756 -2.466 1.00 12.30 H new ATOM 0 HE3 MET A 4 -12.976 4.937 -0.887 1.00 12.30 H new ATOM 52 N THR A 5 -12.563 4.532 -7.477 1.00 5.32 N ATOM 53 CA THR A 5 -12.999 3.952 -8.730 1.00 22.53 C ATOM 54 C THR A 5 -12.671 2.465 -8.715 1.00 65.22 C ATOM 55 O THR A 5 -11.503 2.077 -8.770 1.00 62.04 O ATOM 56 CB THR A 5 -12.310 4.627 -9.932 1.00 42.10 C ATOM 57 OG1 THR A 5 -12.419 6.052 -9.813 1.00 71.41 O ATOM 58 CG2 THR A 5 -12.942 4.179 -11.242 1.00 53.01 C ATOM 0 H THR A 5 -11.585 4.820 -7.464 1.00 5.32 H new ATOM 0 HA THR A 5 -14.073 4.106 -8.836 1.00 22.53 H new ATOM 0 HB THR A 5 -11.260 4.335 -9.934 1.00 42.10 H new ATOM 0 HG1 THR A 5 -11.979 6.479 -10.577 1.00 71.41 H new ATOM 0 HG21 THR A 5 -12.438 4.669 -12.075 1.00 53.01 H new ATOM 0 HG22 THR A 5 -12.843 3.098 -11.343 1.00 53.01 H new ATOM 0 HG23 THR A 5 -13.998 4.448 -11.247 1.00 53.01 H new ATOM 66 N VAL A 6 -13.697 1.638 -8.628 1.00 4.20 N ATOM 67 CA VAL A 6 -13.502 0.209 -8.442 1.00 13.52 C ATOM 68 C VAL A 6 -13.335 -0.514 -9.770 1.00 40.55 C ATOM 69 O VAL A 6 -13.978 -0.175 -10.766 1.00 4.41 O ATOM 70 CB VAL A 6 -14.669 -0.427 -7.649 1.00 75.41 C ATOM 71 CG1 VAL A 6 -14.697 0.104 -6.224 1.00 44.14 C ATOM 72 CG2 VAL A 6 -16.005 -0.168 -8.335 1.00 12.15 C ATOM 0 H VAL A 6 -14.673 1.929 -8.683 1.00 4.20 H new ATOM 0 HA VAL A 6 -12.584 0.095 -7.866 1.00 13.52 H new ATOM 0 HB VAL A 6 -14.506 -1.504 -7.619 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -15.524 -0.354 -5.681 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -13.758 -0.139 -5.727 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -14.829 1.186 -6.241 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -16.806 -0.626 -7.756 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -16.176 0.906 -8.404 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -15.989 -0.598 -9.336 1.00 12.15 H new ATOM 82 N THR A 7 -12.445 -1.492 -9.784 1.00 31.41 N ATOM 83 CA THR A 7 -12.270 -2.341 -10.946 1.00 35.31 C ATOM 84 C THR A 7 -13.317 -3.453 -10.908 1.00 31.42 C ATOM 85 O THR A 7 -13.861 -3.743 -9.839 1.00 72.04 O ATOM 86 CB THR A 7 -10.846 -2.936 -10.968 1.00 54.51 C ATOM 87 OG1 THR A 7 -9.895 -1.905 -10.660 1.00 5.41 O ATOM 88 CG2 THR A 7 -10.515 -3.535 -12.329 1.00 10.33 C ATOM 0 H THR A 7 -11.832 -1.717 -9.000 1.00 31.41 H new ATOM 0 HA THR A 7 -12.400 -1.751 -11.853 1.00 35.31 H new ATOM 0 HB THR A 7 -10.798 -3.731 -10.224 1.00 54.51 H new ATOM 0 HG1 THR A 7 -8.990 -2.281 -10.672 1.00 5.41 H new ATOM 0 HG21 THR A 7 -9.505 -3.945 -12.310 1.00 10.33 H new ATOM 0 HG22 THR A 7 -11.225 -4.329 -12.559 1.00 10.33 H new ATOM 0 HG23 THR A 7 -10.577 -2.760 -13.093 1.00 10.33 H new ATOM 96 N GLN A 8 -13.608 -4.058 -12.065 1.00 3.23 N ATOM 97 CA GLN A 8 -14.670 -5.063 -12.171 1.00 50.02 C ATOM 98 C GLN A 8 -16.006 -4.450 -11.747 1.00 1.14 C ATOM 99 O GLN A 8 -16.915 -5.145 -11.287 1.00 72.35 O ATOM 100 CB GLN A 8 -14.345 -6.295 -11.313 1.00 43.14 C ATOM 101 CG GLN A 8 -13.047 -6.987 -11.705 1.00 33.25 C ATOM 102 CD GLN A 8 -12.767 -8.220 -10.869 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.134 -8.144 -9.818 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.234 -9.366 -11.335 1.00 54.35 N ATOM 0 H GLN A 8 -13.122 -3.868 -12.942 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.742 -5.388 -13.209 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.284 -5.993 -10.267 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.165 -7.009 -11.392 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.093 -7.269 -12.757 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -12.219 -6.285 -11.599 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -13.755 -9.386 -12.212 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.073 -10.230 -10.818 1.00 54.35 H new ATOM 113 N SER A 9 -16.110 -3.140 -11.941 1.00 52.14 N ATOM 114 CA SER A 9 -17.275 -2.373 -11.533 1.00 2.52 C ATOM 115 C SER A 9 -18.543 -2.874 -12.211 1.00 0.31 C ATOM 116 O SER A 9 -19.601 -2.934 -11.588 1.00 54.11 O ATOM 117 CB SER A 9 -17.049 -0.897 -11.856 1.00 33.54 C ATOM 118 OG SER A 9 -15.880 -0.727 -12.649 1.00 75.12 O ATOM 0 H SER A 9 -15.384 -2.580 -12.388 1.00 52.14 H new ATOM 0 HA SER A 9 -17.409 -2.498 -10.459 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.914 -0.499 -12.386 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.953 -0.328 -10.931 1.00 33.54 H new ATOM 0 HG SER A 9 -15.118 -0.519 -12.068 1.00 75.12 H new ATOM 124 N GLN A 10 -18.435 -3.240 -13.483 1.00 65.43 N ATOM 125 CA GLN A 10 -19.582 -3.757 -14.218 1.00 50.30 C ATOM 126 C GLN A 10 -20.036 -5.087 -13.634 1.00 24.22 C ATOM 127 O GLN A 10 -21.226 -5.369 -13.589 1.00 13.03 O ATOM 128 CB GLN A 10 -19.264 -3.922 -15.707 1.00 3.51 C ATOM 129 CG GLN A 10 -18.982 -2.610 -16.422 1.00 31.21 C ATOM 130 CD GLN A 10 -18.939 -2.770 -17.929 1.00 30.13 C ATOM 131 OE1 GLN A 10 -17.888 -3.029 -18.513 1.00 43.14 O ATOM 132 NE2 GLN A 10 -20.086 -2.620 -18.572 1.00 21.05 N ATOM 0 H GLN A 10 -17.571 -3.189 -14.023 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.389 -3.031 -14.121 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.399 -4.577 -15.814 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.102 -4.419 -16.195 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.751 -1.883 -16.158 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -18.030 -2.208 -16.075 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -20.937 -2.405 -18.053 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -20.119 -2.719 -19.587 1.00 21.05 H new ATOM 141 N LEU A 11 -19.085 -5.886 -13.170 1.00 1.21 N ATOM 142 CA LEU A 11 -19.396 -7.178 -12.563 1.00 12.41 C ATOM 143 C LEU A 11 -20.135 -6.977 -11.246 1.00 54.11 C ATOM 144 O LEU A 11 -21.171 -7.598 -11.001 1.00 71.13 O ATOM 145 CB LEU A 11 -18.120 -8.000 -12.319 1.00 53.43 C ATOM 146 CG LEU A 11 -17.413 -8.550 -13.569 1.00 4.24 C ATOM 147 CD1 LEU A 11 -18.393 -9.307 -14.458 1.00 55.21 C ATOM 148 CD2 LEU A 11 -16.719 -7.436 -14.347 1.00 61.15 C ATOM 0 H LEU A 11 -18.090 -5.664 -13.201 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.033 -7.728 -13.256 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.412 -7.378 -11.772 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.373 -8.840 -11.672 1.00 53.43 H new ATOM 0 HG LEU A 11 -16.646 -9.250 -13.237 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.870 -9.686 -15.336 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -18.820 -10.141 -13.901 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -19.191 -8.635 -14.774 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -16.228 -7.856 -15.225 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.457 -6.698 -14.662 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -15.975 -6.957 -13.711 1.00 61.15 H new ATOM 160 N GLU A 12 -19.588 -6.102 -10.408 1.00 14.13 N ATOM 161 CA GLU A 12 -20.194 -5.765 -9.125 1.00 13.33 C ATOM 162 C GLU A 12 -21.598 -5.202 -9.352 1.00 23.45 C ATOM 163 O GLU A 12 -22.587 -5.716 -8.826 1.00 35.24 O ATOM 164 CB GLU A 12 -19.312 -4.730 -8.410 1.00 72.23 C ATOM 165 CG GLU A 12 -19.303 -4.831 -6.888 1.00 2.41 C ATOM 166 CD GLU A 12 -20.594 -4.369 -6.242 1.00 74.31 C ATOM 167 OE1 GLU A 12 -20.761 -3.146 -6.041 1.00 23.41 O ATOM 168 OE2 GLU A 12 -21.427 -5.227 -5.899 1.00 33.12 O ATOM 0 H GLU A 12 -18.716 -5.609 -10.598 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.273 -6.658 -8.505 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.289 -4.835 -8.772 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.649 -3.732 -8.691 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -19.113 -5.866 -6.602 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.478 -4.236 -6.497 1.00 2.41 H new ATOM 175 N LEU A 13 -21.669 -4.174 -10.187 1.00 24.43 N ATOM 176 CA LEU A 13 -22.913 -3.468 -10.464 1.00 1.43 C ATOM 177 C LEU A 13 -23.966 -4.386 -11.081 1.00 31.21 C ATOM 178 O LEU A 13 -25.134 -4.338 -10.696 1.00 4.34 O ATOM 179 CB LEU A 13 -22.627 -2.267 -11.380 1.00 73.45 C ATOM 180 CG LEU A 13 -23.847 -1.527 -11.941 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.557 -0.041 -12.034 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.216 -2.067 -13.318 1.00 50.21 C ATOM 0 H LEU A 13 -20.864 -3.805 -10.693 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.322 -3.112 -9.518 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.020 -1.552 -10.825 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.023 -2.614 -12.219 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.687 -1.688 -11.266 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.430 0.476 -12.434 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.328 0.348 -11.042 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -22.705 0.123 -12.694 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.084 -1.529 -13.699 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.376 -1.930 -13.999 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.452 -3.128 -13.241 1.00 50.21 H new ATOM 194 N LEU A 14 -23.550 -5.221 -12.030 1.00 72.01 N ATOM 195 CA LEU A 14 -24.486 -6.077 -12.753 1.00 3.52 C ATOM 196 C LEU A 14 -25.205 -7.025 -11.808 1.00 71.02 C ATOM 197 O LEU A 14 -26.432 -7.098 -11.808 1.00 70.32 O ATOM 198 CB LEU A 14 -23.756 -6.882 -13.832 1.00 33.20 C ATOM 199 CG LEU A 14 -24.650 -7.765 -14.706 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.646 -6.916 -15.483 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.805 -8.602 -15.654 1.00 11.21 C ATOM 0 H LEU A 14 -22.576 -5.323 -12.315 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.225 -5.431 -13.226 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.217 -6.188 -14.477 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.010 -7.514 -13.349 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.209 -8.439 -14.057 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.272 -7.562 -16.098 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -26.273 -6.360 -14.785 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.107 -6.217 -16.123 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -24.456 -9.224 -16.268 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -23.219 -7.944 -16.296 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -23.133 -9.238 -15.077 1.00 11.21 H new ATOM 213 N ILE A 15 -24.442 -7.727 -10.984 1.00 13.25 N ATOM 214 CA ILE A 15 -25.013 -8.706 -10.077 1.00 24.23 C ATOM 215 C ILE A 15 -25.762 -8.017 -8.942 1.00 61.32 C ATOM 216 O ILE A 15 -26.803 -8.498 -8.499 1.00 75.31 O ATOM 217 CB ILE A 15 -23.928 -9.647 -9.512 1.00 33.14 C ATOM 218 CG1 ILE A 15 -23.266 -10.418 -10.658 1.00 70.34 C ATOM 219 CG2 ILE A 15 -24.520 -10.616 -8.492 1.00 52.02 C ATOM 220 CD1 ILE A 15 -22.211 -11.406 -10.206 1.00 63.52 C ATOM 0 H ILE A 15 -23.428 -7.636 -10.926 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.720 -9.310 -10.645 1.00 24.23 H new ATOM 0 HB ILE A 15 -23.176 -9.044 -9.003 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -24.035 -10.953 -11.215 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.811 -9.706 -11.347 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.734 -11.267 -8.110 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.958 -10.054 -7.667 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -25.292 -11.220 -8.969 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.790 -11.911 -11.075 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -21.420 -10.876 -9.675 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -22.663 -12.143 -9.542 1.00 63.52 H new ATOM 232 N ARG A 16 -25.247 -6.877 -8.500 1.00 32.24 N ATOM 233 CA ARG A 16 -25.875 -6.120 -7.425 1.00 15.30 C ATOM 234 C ARG A 16 -27.257 -5.624 -7.846 1.00 74.23 C ATOM 235 O ARG A 16 -28.194 -5.600 -7.046 1.00 15.23 O ATOM 236 CB ARG A 16 -25.006 -4.925 -7.032 1.00 23.14 C ATOM 237 CG ARG A 16 -25.428 -4.272 -5.728 1.00 71.35 C ATOM 238 CD ARG A 16 -25.113 -5.162 -4.535 1.00 63.11 C ATOM 239 NE ARG A 16 -23.678 -5.417 -4.414 1.00 73.55 N ATOM 240 CZ ARG A 16 -23.097 -5.942 -3.339 1.00 72.42 C ATOM 241 NH1 ARG A 16 -23.816 -6.287 -2.280 1.00 4.32 N ATOM 242 NH2 ARG A 16 -21.788 -6.127 -3.325 1.00 75.13 N ATOM 0 H ARG A 16 -24.395 -6.456 -8.870 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.982 -6.785 -6.568 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.970 -5.252 -6.947 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.041 -4.182 -7.829 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.917 -3.316 -5.616 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.497 -4.061 -5.754 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.477 -4.690 -3.623 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -25.643 -6.109 -4.637 1.00 63.11 H new ATOM 0 HE ARG A 16 -23.083 -5.176 -5.207 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.827 -6.151 -2.284 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -23.358 -6.689 -1.462 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -21.228 -5.867 -4.137 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -21.339 -6.529 -2.502 1.00 75.13 H new ATOM 256 N ASN A 17 -27.377 -5.220 -9.103 1.00 21.01 N ATOM 257 CA ASN A 17 -28.643 -4.716 -9.622 1.00 71.44 C ATOM 258 C ASN A 17 -29.553 -5.854 -10.063 1.00 24.13 C ATOM 259 O ASN A 17 -30.775 -5.753 -9.963 1.00 64.41 O ATOM 260 CB ASN A 17 -28.410 -3.746 -10.783 1.00 22.11 C ATOM 261 CG ASN A 17 -28.022 -2.359 -10.309 1.00 54.33 C ATOM 262 OD1 ASN A 17 -28.881 -1.510 -10.076 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.729 -2.114 -10.169 1.00 64.22 N ATOM 0 H ASN A 17 -26.616 -5.231 -9.782 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.137 -4.179 -8.813 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.625 -4.139 -11.429 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.316 -3.681 -11.386 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -26.415 -1.195 -9.858 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.047 -2.844 -10.372 1.00 64.22 H new ATOM 270 N ALA A 18 -28.957 -6.935 -10.555 1.00 24.13 N ATOM 271 CA ALA A 18 -29.722 -8.108 -10.955 1.00 52.44 C ATOM 272 C ALA A 18 -30.318 -8.793 -9.732 1.00 63.32 C ATOM 273 O ALA A 18 -31.500 -9.131 -9.712 1.00 53.11 O ATOM 274 CB ALA A 18 -28.850 -9.079 -11.739 1.00 44.34 C ATOM 0 H ALA A 18 -27.949 -7.022 -10.686 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.536 -7.783 -11.603 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.442 -9.948 -12.028 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.470 -8.586 -12.633 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.014 -9.400 -11.118 1.00 44.34 H new ATOM 280 N PHE A 19 -29.492 -8.987 -8.714 1.00 32.44 N ATOM 281 CA PHE A 19 -29.941 -9.571 -7.462 1.00 64.45 C ATOM 282 C PHE A 19 -29.591 -8.638 -6.310 1.00 11.13 C ATOM 283 O PHE A 19 -28.442 -8.583 -5.872 1.00 74.13 O ATOM 284 CB PHE A 19 -29.301 -10.944 -7.237 1.00 5.30 C ATOM 285 CG PHE A 19 -29.594 -11.941 -8.322 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.793 -12.633 -8.338 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.668 -12.188 -9.322 1.00 21.44 C ATOM 288 CE1 PHE A 19 -31.062 -13.554 -9.331 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.931 -13.109 -10.317 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.131 -13.792 -10.322 1.00 4.25 C ATOM 0 H PHE A 19 -28.501 -8.746 -8.733 1.00 32.44 H new ATOM 0 HA PHE A 19 -31.022 -9.704 -7.509 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -28.221 -10.821 -7.153 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -29.651 -11.345 -6.286 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -31.526 -12.451 -7.566 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.729 -11.654 -9.324 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -32.001 -14.088 -9.332 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.200 -13.295 -11.090 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.341 -14.511 -11.100 1.00 4.25 H new ATOM 300 N PRO A 20 -30.578 -7.886 -5.807 1.00 74.32 N ATOM 301 CA PRO A 20 -30.365 -6.911 -4.730 1.00 62.04 C ATOM 302 C PRO A 20 -29.881 -7.568 -3.441 1.00 53.13 C ATOM 303 O PRO A 20 -29.206 -6.941 -2.629 1.00 3.14 O ATOM 304 CB PRO A 20 -31.750 -6.286 -4.523 1.00 73.25 C ATOM 305 CG PRO A 20 -32.711 -7.257 -5.118 1.00 43.34 C ATOM 306 CD PRO A 20 -31.981 -7.921 -6.249 1.00 54.10 C ATOM 0 HA PRO A 20 -29.594 -6.186 -4.990 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.956 -6.127 -3.464 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -31.820 -5.314 -5.011 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -33.034 -7.990 -4.378 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -33.607 -6.750 -5.476 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -32.328 -8.942 -6.409 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -32.121 -7.386 -7.188 1.00 54.10 H new ATOM 314 N GLU A 21 -30.224 -8.837 -3.269 1.00 43.25 N ATOM 315 CA GLU A 21 -29.858 -9.582 -2.072 1.00 14.45 C ATOM 316 C GLU A 21 -28.591 -10.404 -2.306 1.00 61.52 C ATOM 317 O GLU A 21 -28.282 -11.319 -1.542 1.00 44.12 O ATOM 318 CB GLU A 21 -31.015 -10.492 -1.659 1.00 73.54 C ATOM 319 CG GLU A 21 -32.282 -9.729 -1.309 1.00 25.00 C ATOM 320 CD GLU A 21 -33.494 -10.631 -1.188 1.00 21.25 C ATOM 321 OE1 GLU A 21 -33.581 -11.393 -0.204 1.00 2.14 O ATOM 322 OE2 GLU A 21 -34.364 -10.581 -2.082 1.00 31.02 O ATOM 0 H GLU A 21 -30.760 -9.376 -3.949 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.654 -8.874 -1.269 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -31.230 -11.187 -2.471 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.710 -11.090 -0.800 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.134 -9.199 -0.368 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.470 -8.975 -2.074 1.00 25.00 H new ATOM 329 N ALA A 22 -27.862 -10.081 -3.367 1.00 13.31 N ATOM 330 CA ALA A 22 -26.618 -10.771 -3.668 1.00 45.34 C ATOM 331 C ALA A 22 -25.414 -9.948 -3.227 1.00 74.40 C ATOM 332 O ALA A 22 -25.330 -8.751 -3.505 1.00 53.45 O ATOM 333 CB ALA A 22 -26.518 -11.084 -5.153 1.00 43.43 C ATOM 0 H ALA A 22 -28.111 -9.348 -4.031 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.618 -11.708 -3.112 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.579 -11.600 -5.354 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.352 -11.721 -5.448 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.551 -10.156 -5.724 1.00 43.43 H new ATOM 339 N GLU A 23 -24.498 -10.598 -2.529 1.00 31.23 N ATOM 340 CA GLU A 23 -23.253 -9.970 -2.120 1.00 5.24 C ATOM 341 C GLU A 23 -22.146 -10.351 -3.097 1.00 11.04 C ATOM 342 O GLU A 23 -21.778 -11.523 -3.211 1.00 5.32 O ATOM 343 CB GLU A 23 -22.877 -10.407 -0.700 1.00 2.23 C ATOM 344 CG GLU A 23 -21.652 -9.699 -0.146 1.00 32.11 C ATOM 345 CD GLU A 23 -21.867 -8.207 -0.005 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.400 -7.777 1.039 1.00 74.04 O ATOM 347 OE2 GLU A 23 -21.514 -7.458 -0.937 1.00 2.10 O ATOM 0 H GLU A 23 -24.595 -11.569 -2.232 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.381 -8.888 -2.125 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.723 -10.223 -0.037 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.697 -11.482 -0.696 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -21.400 -10.121 0.827 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.801 -9.881 -0.803 1.00 32.11 H new ATOM 354 N ILE A 24 -21.633 -9.365 -3.811 1.00 13.41 N ATOM 355 CA ILE A 24 -20.579 -9.604 -4.781 1.00 74.24 C ATOM 356 C ILE A 24 -19.218 -9.508 -4.102 1.00 61.32 C ATOM 357 O ILE A 24 -18.804 -8.438 -3.659 1.00 75.31 O ATOM 358 CB ILE A 24 -20.627 -8.600 -5.965 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.893 -8.790 -6.802 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.399 -8.749 -6.850 1.00 42.15 C ATOM 361 CD1 ILE A 24 -23.143 -8.251 -6.155 1.00 33.11 C ATOM 0 H ILE A 24 -21.929 -8.392 -3.738 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.735 -10.605 -5.183 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.639 -7.596 -5.541 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.755 -8.301 -7.766 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.029 -9.853 -7.001 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.455 -8.036 -7.672 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.501 -8.556 -6.262 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.360 -9.762 -7.250 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.996 -8.424 -6.811 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -23.308 -8.757 -5.204 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -23.030 -7.181 -5.981 1.00 33.11 H new ATOM 373 N THR A 25 -18.540 -10.636 -3.992 1.00 14.02 N ATOM 374 CA THR A 25 -17.202 -10.665 -3.438 1.00 54.43 C ATOM 375 C THR A 25 -16.197 -10.980 -4.537 1.00 60.33 C ATOM 376 O THR A 25 -16.327 -11.985 -5.231 1.00 24.53 O ATOM 377 CB THR A 25 -17.086 -11.721 -2.319 1.00 3.22 C ATOM 378 OG1 THR A 25 -18.110 -11.511 -1.340 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.721 -11.661 -1.652 1.00 30.53 C ATOM 0 H THR A 25 -18.897 -11.547 -4.281 1.00 14.02 H new ATOM 0 HA THR A 25 -16.990 -9.685 -3.011 1.00 54.43 H new ATOM 0 HB THR A 25 -17.208 -12.707 -2.769 1.00 3.22 H new ATOM 0 HG1 THR A 25 -18.031 -12.186 -0.634 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.666 -12.416 -0.867 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.945 -11.851 -2.393 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.572 -10.673 -1.216 1.00 30.53 H new ATOM 387 N VAL A 26 -15.211 -10.122 -4.718 1.00 74.44 N ATOM 388 CA VAL A 26 -14.179 -10.369 -5.706 1.00 13.43 C ATOM 389 C VAL A 26 -13.108 -11.287 -5.132 1.00 70.34 C ATOM 390 O VAL A 26 -12.492 -10.986 -4.107 1.00 52.34 O ATOM 391 CB VAL A 26 -13.544 -9.057 -6.226 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.523 -8.320 -7.126 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.116 -8.157 -5.076 1.00 35.24 C ATOM 0 H VAL A 26 -15.103 -9.252 -4.197 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.652 -10.858 -6.557 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.656 -9.319 -6.800 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.064 -7.399 -7.485 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.782 -8.952 -7.976 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.425 -8.081 -6.563 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -12.674 -7.244 -5.474 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -13.985 -7.905 -4.469 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.382 -8.677 -4.461 1.00 35.24 H new ATOM 403 N THR A 27 -12.911 -12.424 -5.771 1.00 53.51 N ATOM 404 CA THR A 27 -11.952 -13.398 -5.298 1.00 3.34 C ATOM 405 C THR A 27 -10.613 -13.176 -5.985 1.00 43.20 C ATOM 406 O THR A 27 -10.434 -13.506 -7.162 1.00 52.12 O ATOM 407 CB THR A 27 -12.446 -14.831 -5.569 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.795 -14.967 -5.107 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.562 -15.853 -4.872 1.00 63.14 C ATOM 0 H THR A 27 -13.405 -12.695 -6.621 1.00 53.51 H new ATOM 0 HA THR A 27 -11.835 -13.272 -4.222 1.00 3.34 H new ATOM 0 HB THR A 27 -12.402 -15.014 -6.643 1.00 60.22 H new ATOM 0 HG1 THR A 27 -14.003 -15.916 -4.981 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.933 -16.857 -5.080 1.00 63.14 H new ATOM 0 HG22 THR A 27 -10.540 -15.761 -5.239 1.00 63.14 H new ATOM 0 HG23 THR A 27 -11.579 -15.675 -3.797 1.00 63.14 H new ATOM 417 N SER A 28 -9.678 -12.616 -5.243 1.00 23.54 N ATOM 418 CA SER A 28 -8.386 -12.269 -5.789 1.00 22.03 C ATOM 419 C SER A 28 -7.304 -13.198 -5.260 1.00 14.30 C ATOM 420 O SER A 28 -7.061 -13.265 -4.052 1.00 32.51 O ATOM 421 CB SER A 28 -8.064 -10.810 -5.452 1.00 23.21 C ATOM 422 OG SER A 28 -8.302 -10.535 -4.076 1.00 51.11 O ATOM 0 H SER A 28 -9.793 -12.392 -4.255 1.00 23.54 H new ATOM 0 HA SER A 28 -8.417 -12.385 -6.872 1.00 22.03 H new ATOM 0 HB2 SER A 28 -7.022 -10.600 -5.693 1.00 23.21 H new ATOM 0 HB3 SER A 28 -8.673 -10.149 -6.068 1.00 23.21 H new ATOM 0 HG SER A 28 -8.017 -11.301 -3.535 1.00 51.11 H new ATOM 428 N LEU A 29 -6.675 -13.932 -6.163 1.00 60.25 N ATOM 429 CA LEU A 29 -5.534 -14.748 -5.802 1.00 24.55 C ATOM 430 C LEU A 29 -4.347 -13.833 -5.559 1.00 12.10 C ATOM 431 O LEU A 29 -4.127 -12.887 -6.317 1.00 65.12 O ATOM 432 CB LEU A 29 -5.209 -15.778 -6.893 1.00 52.33 C ATOM 433 CG LEU A 29 -6.230 -16.915 -7.058 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.517 -16.420 -7.702 1.00 71.35 C ATOM 435 CD2 LEU A 29 -5.629 -18.053 -7.869 1.00 60.32 C ATOM 0 H LEU A 29 -6.936 -13.978 -7.148 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.767 -15.308 -4.897 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.117 -15.255 -7.845 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -4.235 -16.217 -6.675 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.480 -17.286 -6.064 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -8.216 -17.250 -7.803 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -7.962 -15.645 -7.077 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.296 -16.009 -8.687 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -6.364 -18.851 -7.977 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -5.344 -17.686 -8.855 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -4.748 -18.439 -7.357 1.00 60.32 H new ATOM 447 N VAL A 30 -3.607 -14.089 -4.495 1.00 4.40 N ATOM 448 CA VAL A 30 -2.519 -13.205 -4.106 1.00 1.44 C ATOM 449 C VAL A 30 -1.317 -13.392 -5.027 1.00 64.14 C ATOM 450 O VAL A 30 -0.434 -14.213 -4.767 1.00 15.34 O ATOM 451 CB VAL A 30 -2.094 -13.427 -2.641 1.00 71.32 C ATOM 452 CG1 VAL A 30 -1.096 -12.364 -2.208 1.00 52.04 C ATOM 453 CG2 VAL A 30 -3.306 -13.439 -1.720 1.00 30.41 C ATOM 0 H VAL A 30 -3.737 -14.897 -3.887 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.888 -12.184 -4.199 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.609 -14.401 -2.570 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.807 -12.537 -1.171 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -0.212 -12.414 -2.844 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.552 -11.378 -2.298 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -2.980 -13.597 -0.692 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.828 -12.485 -1.793 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.979 -14.244 -2.015 1.00 30.41 H new ATOM 463 N GLY A 31 -1.323 -12.645 -6.120 1.00 42.32 N ATOM 464 CA GLY A 31 -0.255 -12.710 -7.092 1.00 63.24 C ATOM 465 C GLY A 31 -0.762 -12.406 -8.486 1.00 24.53 C ATOM 466 O GLY A 31 -1.619 -13.124 -9.004 1.00 24.33 O ATOM 0 H GLY A 31 -2.064 -11.984 -6.353 1.00 42.32 H new ATOM 0 HA2 GLY A 31 0.527 -12.000 -6.824 1.00 63.24 H new ATOM 0 HA3 GLY A 31 0.196 -13.702 -7.075 1.00 63.24 H new ATOM 470 N ASP A 32 -0.245 -11.341 -9.090 1.00 54.21 N ATOM 471 CA ASP A 32 -0.699 -10.912 -10.413 1.00 24.22 C ATOM 472 C ASP A 32 -0.180 -11.837 -11.507 1.00 21.34 C ATOM 473 O ASP A 32 0.776 -11.516 -12.216 1.00 50.54 O ATOM 474 CB ASP A 32 -0.277 -9.467 -10.710 1.00 33.31 C ATOM 475 CG ASP A 32 -1.101 -8.444 -9.951 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.188 -8.064 -10.440 1.00 1.50 O ATOM 477 OD2 ASP A 32 -0.664 -8.005 -8.868 1.00 71.24 O ATOM 0 H ASP A 32 0.488 -10.758 -8.687 1.00 54.21 H new ATOM 0 HA ASP A 32 -1.788 -10.961 -10.404 1.00 24.22 H new ATOM 0 HB2 ASP A 32 0.775 -9.341 -10.454 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -0.369 -9.279 -11.780 1.00 33.31 H new ATOM 482 N ASN A 33 -0.803 -13.002 -11.606 1.00 11.01 N ATOM 483 CA ASN A 33 -0.501 -13.971 -12.653 1.00 33.31 C ATOM 484 C ASN A 33 -1.775 -14.697 -13.052 1.00 73.15 C ATOM 485 O ASN A 33 -2.060 -14.885 -14.233 1.00 35.41 O ATOM 486 CB ASN A 33 0.548 -14.999 -12.194 1.00 23.21 C ATOM 487 CG ASN A 33 1.929 -14.401 -11.997 1.00 63.34 C ATOM 488 OD1 ASN A 33 2.694 -14.255 -12.951 1.00 61.15 O ATOM 489 ND2 ASN A 33 2.272 -14.088 -10.758 1.00 30.04 N ATOM 0 H ASN A 33 -1.534 -13.304 -10.962 1.00 11.01 H new ATOM 0 HA ASN A 33 -0.090 -13.428 -13.504 1.00 33.31 H new ATOM 0 HB2 ASN A 33 0.219 -15.451 -11.258 1.00 23.21 H new ATOM 0 HB3 ASN A 33 0.608 -15.800 -12.931 1.00 23.21 H new ATOM 0 HD21 ASN A 33 3.200 -13.710 -10.566 1.00 30.04 H new ATOM 0 HD22 ASN A 33 1.609 -14.224 -9.995 1.00 30.04 H new ATOM 496 N ASN A 34 -2.549 -15.081 -12.046 1.00 61.41 N ATOM 497 CA ASN A 34 -3.794 -15.804 -12.261 1.00 4.13 C ATOM 498 C ASN A 34 -4.955 -14.840 -12.421 1.00 1.44 C ATOM 499 O ASN A 34 -4.890 -13.693 -11.974 1.00 40.12 O ATOM 500 CB ASN A 34 -4.076 -16.745 -11.088 1.00 53.13 C ATOM 501 CG ASN A 34 -3.103 -17.904 -11.010 1.00 60.20 C ATOM 502 OD1 ASN A 34 -2.742 -18.351 -9.921 1.00 22.32 O ATOM 503 ND2 ASN A 34 -2.681 -18.410 -12.158 1.00 24.41 N ATOM 0 H ASN A 34 -2.334 -14.902 -11.065 1.00 61.41 H new ATOM 0 HA ASN A 34 -3.688 -16.388 -13.175 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.033 -16.179 -10.157 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -5.090 -17.135 -11.178 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -2.034 -19.198 -12.161 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.003 -18.012 -13.040 1.00 24.41 H new ATOM 510 N HIS A 35 -6.015 -15.310 -13.062 1.00 11.54 N ATOM 511 CA HIS A 35 -7.230 -14.525 -13.206 1.00 21.41 C ATOM 512 C HIS A 35 -7.990 -14.501 -11.893 1.00 54.15 C ATOM 513 O HIS A 35 -7.860 -15.412 -11.071 1.00 54.44 O ATOM 514 CB HIS A 35 -8.119 -15.083 -14.320 1.00 25.33 C ATOM 515 CG HIS A 35 -7.639 -14.743 -15.697 1.00 13.33 C ATOM 516 ND1 HIS A 35 -7.140 -15.677 -16.579 1.00 35.21 N ATOM 517 CD2 HIS A 35 -7.605 -13.559 -16.350 1.00 50.13 C ATOM 518 CE1 HIS A 35 -6.817 -15.078 -17.713 1.00 24.43 C ATOM 519 NE2 HIS A 35 -7.093 -13.792 -17.600 1.00 23.03 N ATOM 0 H HIS A 35 -6.057 -16.234 -13.492 1.00 11.54 H new ATOM 0 HA HIS A 35 -6.948 -13.507 -13.477 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -8.174 -16.167 -14.221 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -9.131 -14.699 -14.192 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -7.923 -12.604 -15.958 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -6.398 -15.560 -18.584 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -6.949 -13.088 -18.324 1.00 23.03 H new ATOM 528 N TYR A 36 -8.788 -13.471 -11.700 1.00 43.33 N ATOM 529 CA TYR A 36 -9.481 -13.285 -10.441 1.00 71.31 C ATOM 530 C TYR A 36 -10.946 -13.673 -10.584 1.00 40.50 C ATOM 531 O TYR A 36 -11.604 -13.312 -11.562 1.00 24.43 O ATOM 532 CB TYR A 36 -9.328 -11.835 -9.976 1.00 22.12 C ATOM 533 CG TYR A 36 -7.887 -11.376 -10.003 1.00 15.02 C ATOM 534 CD1 TYR A 36 -6.953 -11.912 -9.128 1.00 41.21 C ATOM 535 CD2 TYR A 36 -7.455 -10.435 -10.929 1.00 43.30 C ATOM 536 CE1 TYR A 36 -5.627 -11.525 -9.172 1.00 62.32 C ATOM 537 CE2 TYR A 36 -6.132 -10.035 -10.975 1.00 62.54 C ATOM 538 CZ TYR A 36 -5.221 -10.588 -10.099 1.00 1.54 C ATOM 539 OH TYR A 36 -3.896 -10.214 -10.155 1.00 12.31 O ATOM 0 H TYR A 36 -8.973 -12.750 -12.398 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.040 -13.933 -9.684 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -9.927 -11.185 -10.614 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -9.720 -11.736 -8.964 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -7.268 -12.645 -8.400 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -8.164 -10.009 -11.624 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -4.913 -11.954 -8.485 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -5.814 -9.294 -11.693 1.00 62.54 H new ATOM 0 HH TYR A 36 -3.835 -9.249 -10.312 1.00 12.31 H new ATOM 549 N SER A 37 -11.443 -14.417 -9.610 1.00 2.23 N ATOM 550 CA SER A 37 -12.775 -14.990 -9.687 1.00 21.11 C ATOM 551 C SER A 37 -13.801 -14.054 -9.062 1.00 62.15 C ATOM 552 O SER A 37 -13.448 -13.106 -8.360 1.00 50.13 O ATOM 553 CB SER A 37 -12.795 -16.342 -8.969 1.00 62.23 C ATOM 554 OG SER A 37 -11.721 -17.165 -9.396 1.00 63.00 O ATOM 0 H SER A 37 -10.939 -14.639 -8.751 1.00 2.23 H new ATOM 0 HA SER A 37 -13.034 -15.132 -10.736 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.731 -16.186 -7.892 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.742 -16.846 -9.163 1.00 62.23 H new ATOM 0 HG SER A 37 -11.756 -18.021 -8.921 1.00 63.00 H new ATOM 560 N ILE A 38 -15.068 -14.313 -9.327 1.00 34.53 N ATOM 561 CA ILE A 38 -16.136 -13.554 -8.713 1.00 12.35 C ATOM 562 C ILE A 38 -17.004 -14.481 -7.871 1.00 21.51 C ATOM 563 O ILE A 38 -17.459 -15.527 -8.339 1.00 24.12 O ATOM 564 CB ILE A 38 -16.979 -12.795 -9.769 1.00 73.40 C ATOM 565 CG1 ILE A 38 -18.068 -11.963 -9.088 1.00 24.33 C ATOM 566 CG2 ILE A 38 -17.585 -13.755 -10.788 1.00 23.22 C ATOM 567 CD1 ILE A 38 -18.795 -11.027 -10.030 1.00 24.22 C ATOM 0 H ILE A 38 -15.381 -15.045 -9.965 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.695 -12.798 -8.063 1.00 12.35 H new ATOM 0 HB ILE A 38 -16.315 -12.119 -10.308 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -18.792 -12.635 -8.627 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.618 -11.379 -8.285 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.170 -13.192 -11.515 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.787 -14.291 -11.302 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.231 -14.468 -10.276 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -19.552 -10.470 -9.477 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -18.083 -10.330 -10.472 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -19.274 -11.606 -10.820 1.00 24.22 H new ATOM 579 N LYS A 39 -17.192 -14.115 -6.615 1.00 62.41 N ATOM 580 CA LYS A 39 -17.908 -14.952 -5.669 1.00 70.34 C ATOM 581 C LYS A 39 -19.267 -14.343 -5.354 1.00 25.51 C ATOM 582 O LYS A 39 -19.354 -13.237 -4.815 1.00 73.43 O ATOM 583 CB LYS A 39 -17.079 -15.111 -4.395 1.00 35.52 C ATOM 584 CG LYS A 39 -17.502 -16.271 -3.514 1.00 1.32 C ATOM 585 CD LYS A 39 -16.536 -16.443 -2.356 1.00 0.22 C ATOM 586 CE LYS A 39 -16.796 -17.727 -1.589 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.840 -17.888 -0.465 1.00 52.43 N ATOM 0 H LYS A 39 -16.855 -13.235 -6.224 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.069 -15.937 -6.108 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.033 -15.243 -4.671 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.143 -14.189 -3.817 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.508 -16.097 -3.132 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.539 -17.187 -4.103 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -15.513 -16.446 -2.733 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -16.624 -15.592 -1.680 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -17.816 -17.723 -1.204 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -16.714 -18.579 -2.264 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -16.043 -18.774 0.040 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.869 -17.916 -0.836 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -15.937 -17.086 0.191 1.00 52.43 H new ATOM 601 N VAL A 40 -20.321 -15.061 -5.703 1.00 63.22 N ATOM 602 CA VAL A 40 -21.676 -14.566 -5.523 1.00 35.24 C ATOM 603 C VAL A 40 -22.306 -15.162 -4.271 1.00 33.00 C ATOM 604 O VAL A 40 -22.681 -16.338 -4.247 1.00 4.22 O ATOM 605 CB VAL A 40 -22.563 -14.889 -6.746 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.936 -14.250 -6.602 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.890 -14.438 -8.035 1.00 42.04 C ATOM 0 H VAL A 40 -20.264 -15.993 -6.114 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.612 -13.483 -5.416 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.696 -15.970 -6.792 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.543 -14.491 -7.475 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.423 -14.632 -5.705 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.827 -13.168 -6.523 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.532 -14.675 -8.883 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.719 -13.362 -7.999 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.936 -14.953 -8.147 1.00 42.04 H new ATOM 617 N ILE A 41 -22.401 -14.354 -3.228 1.00 54.23 N ATOM 618 CA ILE A 41 -23.026 -14.784 -1.988 1.00 33.03 C ATOM 619 C ILE A 41 -24.466 -14.286 -1.945 1.00 40.43 C ATOM 620 O ILE A 41 -24.729 -13.138 -1.599 1.00 0.12 O ATOM 621 CB ILE A 41 -22.260 -14.265 -0.749 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.782 -14.673 -0.818 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.898 -14.788 0.535 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.559 -16.172 -0.859 1.00 73.31 C ATOM 0 H ILE A 41 -22.053 -13.395 -3.215 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.004 -15.873 -1.961 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.317 -13.177 -0.743 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.333 -14.224 -1.704 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.261 -14.262 0.047 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.345 -14.412 1.396 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.932 -14.449 0.592 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.873 -15.878 0.536 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.490 -16.380 -0.907 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.977 -16.627 0.039 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.049 -16.589 -1.739 1.00 73.31 H new ATOM 636 N SER A 42 -25.394 -15.143 -2.339 1.00 20.34 N ATOM 637 CA SER A 42 -26.791 -14.760 -2.403 1.00 24.41 C ATOM 638 C SER A 42 -27.690 -15.887 -1.915 1.00 53.10 C ATOM 639 O SER A 42 -27.514 -17.052 -2.289 1.00 71.22 O ATOM 640 CB SER A 42 -27.166 -14.369 -3.834 1.00 15.34 C ATOM 641 OG SER A 42 -28.551 -14.097 -3.946 1.00 44.11 O ATOM 0 H SER A 42 -25.204 -16.105 -2.618 1.00 20.34 H new ATOM 0 HA SER A 42 -26.938 -13.901 -1.749 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.595 -13.491 -4.135 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.895 -15.175 -4.516 1.00 15.34 H new ATOM 0 HG SER A 42 -28.762 -13.848 -4.870 1.00 44.11 H new ATOM 647 N SER A 43 -28.658 -15.527 -1.084 1.00 30.43 N ATOM 648 CA SER A 43 -29.627 -16.478 -0.563 1.00 73.12 C ATOM 649 C SER A 43 -30.475 -17.082 -1.684 1.00 23.01 C ATOM 650 O SER A 43 -31.074 -18.139 -1.513 1.00 1.22 O ATOM 651 CB SER A 43 -30.511 -15.787 0.475 1.00 14.53 C ATOM 652 OG SER A 43 -30.841 -14.469 0.058 1.00 21.44 O ATOM 0 H SER A 43 -28.793 -14.571 -0.754 1.00 30.43 H new ATOM 0 HA SER A 43 -29.089 -17.298 -0.088 1.00 73.12 H new ATOM 0 HB2 SER A 43 -31.423 -16.365 0.626 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.994 -15.751 1.434 1.00 14.53 H new ATOM 0 HG SER A 43 -31.408 -14.044 0.735 1.00 21.44 H new ATOM 658 N GLN A 44 -30.497 -16.416 -2.839 1.00 22.21 N ATOM 659 CA GLN A 44 -31.210 -16.927 -4.007 1.00 35.52 C ATOM 660 C GLN A 44 -30.584 -18.234 -4.494 1.00 53.44 C ATOM 661 O GLN A 44 -31.235 -19.034 -5.161 1.00 5.22 O ATOM 662 CB GLN A 44 -31.207 -15.900 -5.147 1.00 53.01 C ATOM 663 CG GLN A 44 -32.229 -14.775 -5.004 1.00 53.14 C ATOM 664 CD GLN A 44 -32.026 -13.926 -3.763 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.269 -12.955 -3.777 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.726 -14.263 -2.693 1.00 42.54 N ATOM 0 H GLN A 44 -30.029 -15.522 -2.989 1.00 22.21 H new ATOM 0 HA GLN A 44 -32.241 -17.115 -3.707 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.212 -15.460 -5.217 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.392 -16.421 -6.086 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.178 -14.135 -5.885 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -33.230 -15.205 -4.980 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.342 -15.075 -2.722 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -32.649 -13.711 -1.839 1.00 42.54 H new ATOM 675 N PHE A 45 -29.315 -18.442 -4.157 1.00 2.34 N ATOM 676 CA PHE A 45 -28.611 -19.654 -4.551 1.00 54.05 C ATOM 677 C PHE A 45 -28.530 -20.641 -3.395 1.00 52.21 C ATOM 678 O PHE A 45 -28.039 -21.760 -3.556 1.00 54.32 O ATOM 679 CB PHE A 45 -27.194 -19.327 -5.016 1.00 21.10 C ATOM 680 CG PHE A 45 -27.109 -18.624 -6.343 1.00 62.12 C ATOM 681 CD1 PHE A 45 -27.203 -19.337 -7.528 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.886 -17.257 -6.404 1.00 52.02 C ATOM 683 CE1 PHE A 45 -27.081 -18.698 -8.748 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.770 -16.613 -7.621 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.863 -17.336 -8.793 1.00 32.51 C ATOM 0 H PHE A 45 -28.755 -17.786 -3.612 1.00 2.34 H new ATOM 0 HA PHE A 45 -29.173 -20.103 -5.370 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.714 -18.705 -4.260 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -26.624 -20.254 -5.075 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -27.373 -20.403 -7.498 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.802 -16.689 -5.489 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -27.156 -19.264 -9.665 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.607 -15.546 -7.655 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.765 -16.836 -9.745 1.00 32.51 H new ATOM 695 N GLN A 46 -29.012 -20.232 -2.233 1.00 72.45 N ATOM 696 CA GLN A 46 -28.882 -21.046 -1.038 1.00 75.13 C ATOM 697 C GLN A 46 -30.010 -22.062 -0.960 1.00 33.34 C ATOM 698 O GLN A 46 -31.166 -21.749 -1.237 1.00 13.13 O ATOM 699 CB GLN A 46 -28.850 -20.160 0.207 1.00 64.41 C ATOM 700 CG GLN A 46 -28.572 -20.926 1.487 1.00 21.44 C ATOM 701 CD GLN A 46 -28.140 -20.030 2.630 1.00 44.02 C ATOM 702 OE1 GLN A 46 -28.406 -20.322 3.796 1.00 34.13 O ATOM 703 NE2 GLN A 46 -27.462 -18.939 2.308 1.00 64.01 N ATOM 0 H GLN A 46 -29.495 -19.345 -2.093 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.941 -21.594 -1.088 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -28.086 -19.393 0.078 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -29.806 -19.645 0.301 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -29.469 -21.472 1.779 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -27.795 -21.667 1.299 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -27.262 -18.733 1.329 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -27.140 -18.305 3.039 1.00 64.01 H new ATOM 712 N GLY A 47 -29.660 -23.287 -0.603 1.00 61.23 N ATOM 713 CA GLY A 47 -30.625 -24.364 -0.600 1.00 30.52 C ATOM 714 C GLY A 47 -30.518 -25.184 -1.865 1.00 5.25 C ATOM 715 O GLY A 47 -30.834 -26.376 -1.880 1.00 33.03 O ATOM 0 H GLY A 47 -28.719 -23.555 -0.314 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -30.461 -25.003 0.268 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.632 -23.956 -0.510 1.00 30.52 H new ATOM 719 N LYS A 48 -30.074 -24.533 -2.930 1.00 74.22 N ATOM 720 CA LYS A 48 -29.817 -25.197 -4.192 1.00 25.13 C ATOM 721 C LYS A 48 -28.564 -26.053 -4.098 1.00 55.24 C ATOM 722 O LYS A 48 -27.571 -25.651 -3.492 1.00 42.13 O ATOM 723 CB LYS A 48 -29.651 -24.153 -5.299 1.00 2.30 C ATOM 724 CG LYS A 48 -30.808 -23.163 -5.411 1.00 31.41 C ATOM 725 CD LYS A 48 -32.082 -23.810 -5.934 1.00 43.32 C ATOM 726 CE LYS A 48 -32.811 -24.607 -4.864 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.927 -25.401 -5.433 1.00 10.22 N ATOM 0 H LYS A 48 -29.883 -23.531 -2.940 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.663 -25.843 -4.427 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.730 -23.598 -5.123 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -29.536 -24.668 -6.253 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -31.003 -22.725 -4.432 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.520 -22.347 -6.074 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.745 -23.037 -6.322 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.836 -24.467 -6.768 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -32.108 -25.274 -4.365 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -33.199 -23.927 -4.105 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.522 -25.766 -4.662 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -34.500 -24.797 -6.056 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.543 -26.197 -5.981 1.00 10.22 H new ATOM 741 N SER A 49 -28.619 -27.234 -4.691 1.00 13.41 N ATOM 742 CA SER A 49 -27.465 -28.112 -4.750 1.00 51.51 C ATOM 743 C SER A 49 -26.475 -27.581 -5.783 1.00 12.24 C ATOM 744 O SER A 49 -26.829 -26.713 -6.586 1.00 74.40 O ATOM 745 CB SER A 49 -27.905 -29.532 -5.109 1.00 73.24 C ATOM 746 OG SER A 49 -28.835 -30.037 -4.161 1.00 23.44 O ATOM 0 H SER A 49 -29.455 -27.607 -5.140 1.00 13.41 H new ATOM 0 HA SER A 49 -26.979 -28.139 -3.775 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.355 -29.536 -6.102 1.00 73.24 H new ATOM 0 HB3 SER A 49 -27.034 -30.186 -5.151 1.00 73.24 H new ATOM 0 HG SER A 49 -29.101 -30.945 -4.415 1.00 23.44 H new ATOM 752 N LYS A 50 -25.249 -28.100 -5.779 1.00 4.42 N ATOM 753 CA LYS A 50 -24.226 -27.616 -6.701 1.00 71.43 C ATOM 754 C LYS A 50 -24.684 -27.727 -8.143 1.00 23.45 C ATOM 755 O LYS A 50 -24.365 -26.874 -8.965 1.00 32.41 O ATOM 756 CB LYS A 50 -22.908 -28.373 -6.542 1.00 4.10 C ATOM 757 CG LYS A 50 -23.038 -29.886 -6.606 1.00 64.11 C ATOM 758 CD LYS A 50 -21.699 -30.575 -6.395 1.00 23.40 C ATOM 759 CE LYS A 50 -21.169 -30.342 -4.988 1.00 14.31 C ATOM 760 NZ LYS A 50 -19.913 -31.098 -4.736 1.00 52.11 N ATOM 0 H LYS A 50 -24.943 -28.847 -5.155 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.063 -26.568 -6.451 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.220 -28.047 -7.322 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.460 -28.100 -5.587 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -23.744 -30.223 -5.847 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.448 -30.175 -7.574 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.807 -31.645 -6.572 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.978 -30.203 -7.123 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.988 -29.277 -4.840 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.925 -30.641 -4.261 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -19.585 -30.912 -3.767 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -20.091 -32.116 -4.852 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -19.184 -30.795 -5.413 1.00 52.11 H new ATOM 774 N LEU A 51 -25.438 -28.775 -8.442 1.00 35.35 N ATOM 775 CA LEU A 51 -25.900 -29.002 -9.799 1.00 23.42 C ATOM 776 C LEU A 51 -26.831 -27.876 -10.227 1.00 5.20 C ATOM 777 O LEU A 51 -26.704 -27.330 -11.326 1.00 63.51 O ATOM 778 CB LEU A 51 -26.621 -30.354 -9.934 1.00 12.31 C ATOM 779 CG LEU A 51 -25.791 -31.605 -9.602 1.00 32.31 C ATOM 780 CD1 LEU A 51 -24.411 -31.530 -10.240 1.00 43.12 C ATOM 781 CD2 LEU A 51 -25.689 -31.813 -8.095 1.00 32.51 C ATOM 0 H LEU A 51 -25.740 -29.476 -7.766 1.00 35.35 H new ATOM 0 HA LEU A 51 -25.025 -29.022 -10.449 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -27.496 -30.342 -9.284 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.985 -30.447 -10.957 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.307 -32.469 -10.022 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -23.845 -32.427 -9.989 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -24.514 -31.457 -11.323 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -23.884 -30.652 -9.866 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.097 -32.705 -7.890 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -25.210 -30.946 -7.640 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -26.688 -31.937 -7.676 1.00 32.51 H new ATOM 793 N GLU A 52 -27.750 -27.519 -9.334 1.00 71.20 N ATOM 794 CA GLU A 52 -28.681 -26.427 -9.579 1.00 3.31 C ATOM 795 C GLU A 52 -27.920 -25.122 -9.761 1.00 30.12 C ATOM 796 O GLU A 52 -28.190 -24.357 -10.685 1.00 1.51 O ATOM 797 CB GLU A 52 -29.671 -26.282 -8.420 1.00 30.33 C ATOM 798 CG GLU A 52 -30.518 -27.517 -8.168 1.00 23.32 C ATOM 799 CD GLU A 52 -31.473 -27.332 -7.005 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.061 -27.566 -5.850 1.00 33.02 O ATOM 801 OE2 GLU A 52 -32.633 -26.933 -7.237 1.00 61.13 O ATOM 0 H GLU A 52 -27.868 -27.975 -8.429 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.237 -26.655 -10.488 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.118 -26.043 -7.512 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.330 -25.438 -8.623 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.086 -27.755 -9.067 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -29.866 -28.367 -7.968 1.00 23.32 H new ATOM 808 N GLN A 53 -26.957 -24.885 -8.876 1.00 12.11 N ATOM 809 CA GLN A 53 -26.142 -23.679 -8.936 1.00 42.34 C ATOM 810 C GLN A 53 -25.356 -23.619 -10.243 1.00 43.01 C ATOM 811 O GLN A 53 -25.296 -22.575 -10.885 1.00 50.30 O ATOM 812 CB GLN A 53 -25.189 -23.610 -7.740 1.00 43.04 C ATOM 813 CG GLN A 53 -25.902 -23.560 -6.396 1.00 62.32 C ATOM 814 CD GLN A 53 -24.948 -23.351 -5.238 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.786 -23.756 -5.291 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.433 -22.723 -4.180 1.00 33.33 N ATOM 0 H GLN A 53 -26.722 -25.514 -8.108 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.811 -22.819 -8.897 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.530 -24.478 -7.760 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.557 -22.728 -7.840 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.635 -22.754 -6.408 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.452 -24.489 -6.246 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.402 -22.403 -4.176 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.838 -22.558 -3.368 1.00 33.33 H new ATOM 825 N HIS A 54 -24.775 -24.751 -10.644 1.00 11.40 N ATOM 826 CA HIS A 54 -24.026 -24.826 -11.900 1.00 50.22 C ATOM 827 C HIS A 54 -24.921 -24.455 -13.074 1.00 75.33 C ATOM 828 O HIS A 54 -24.533 -23.664 -13.934 1.00 22.05 O ATOM 829 CB HIS A 54 -23.435 -26.225 -12.126 1.00 60.03 C ATOM 830 CG HIS A 54 -22.353 -26.600 -11.162 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.144 -27.890 -10.736 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.416 -25.848 -10.542 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.134 -27.916 -9.889 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.666 -26.688 -9.755 1.00 73.11 N ATOM 0 H HIS A 54 -24.808 -25.625 -10.120 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.202 -24.116 -11.830 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.237 -26.960 -12.058 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.037 -26.279 -13.139 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.282 -24.781 -10.646 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.753 -28.794 -9.389 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.880 -26.410 -9.167 1.00 73.11 H new ATOM 843 N ARG A 55 -26.127 -25.023 -13.097 1.00 60.31 N ATOM 844 CA ARG A 55 -27.100 -24.698 -14.134 1.00 40.14 C ATOM 845 C ARG A 55 -27.452 -23.227 -14.117 1.00 43.34 C ATOM 846 O ARG A 55 -27.577 -22.599 -15.165 1.00 3.25 O ATOM 847 CB ARG A 55 -28.385 -25.501 -13.975 1.00 52.11 C ATOM 848 CG ARG A 55 -28.262 -26.952 -14.417 1.00 35.13 C ATOM 849 CD ARG A 55 -29.619 -27.569 -14.727 1.00 61.41 C ATOM 850 NE ARG A 55 -30.155 -27.098 -16.007 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.353 -27.440 -16.493 1.00 14.23 C ATOM 852 NH1 ARG A 55 -32.153 -28.250 -15.804 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.744 -26.985 -17.679 1.00 52.14 N ATOM 0 H ARG A 55 -26.450 -25.707 -12.412 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.630 -24.954 -15.084 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.692 -25.474 -12.929 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.176 -25.021 -14.552 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.627 -27.009 -15.301 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.771 -27.530 -13.634 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -29.527 -28.655 -14.750 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.320 -27.325 -13.928 1.00 61.41 H new ATOM 0 HE ARG A 55 -29.577 -26.468 -16.563 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.854 -28.614 -14.899 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -33.066 -28.507 -16.180 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.130 -26.375 -18.219 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -32.658 -27.246 -18.049 1.00 52.14 H new ATOM 867 N MET A 56 -27.619 -22.678 -12.928 1.00 5.13 N ATOM 868 CA MET A 56 -27.987 -21.287 -12.803 1.00 13.24 C ATOM 869 C MET A 56 -26.854 -20.391 -13.299 1.00 73.24 C ATOM 870 O MET A 56 -27.095 -19.328 -13.877 1.00 12.14 O ATOM 871 CB MET A 56 -28.350 -20.944 -11.360 1.00 12.34 C ATOM 872 CG MET A 56 -29.660 -21.560 -10.896 1.00 75.15 C ATOM 873 SD MET A 56 -31.083 -20.983 -11.844 1.00 61.02 S ATOM 874 CE MET A 56 -31.053 -19.231 -11.467 1.00 11.14 C ATOM 0 H MET A 56 -27.506 -23.173 -12.043 1.00 5.13 H new ATOM 0 HA MET A 56 -28.867 -21.111 -13.422 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.548 -21.281 -10.703 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.412 -19.861 -11.258 1.00 12.34 H new ATOM 0 HG2 MET A 56 -29.593 -22.645 -10.975 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.813 -21.326 -9.842 1.00 75.15 H new ATOM 0 HE1 MET A 56 -32.028 -18.795 -11.685 1.00 11.14 H new ATOM 0 HE2 MET A 56 -30.820 -19.090 -10.412 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.292 -18.741 -12.075 1.00 11.14 H new ATOM 884 N ILE A 57 -25.617 -20.830 -13.076 1.00 55.45 N ATOM 885 CA ILE A 57 -24.456 -20.145 -13.627 1.00 13.21 C ATOM 886 C ILE A 57 -24.517 -20.180 -15.153 1.00 34.43 C ATOM 887 O ILE A 57 -24.253 -19.179 -15.817 1.00 62.10 O ATOM 888 CB ILE A 57 -23.128 -20.777 -13.147 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.011 -20.686 -11.625 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.940 -20.095 -13.806 1.00 32.31 C ATOM 891 CD1 ILE A 57 -21.757 -21.334 -11.073 1.00 2.10 C ATOM 0 H ILE A 57 -25.396 -21.655 -12.519 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.480 -19.115 -13.272 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.128 -21.828 -13.435 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.028 -19.637 -11.330 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.883 -21.158 -11.173 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.016 -20.554 -13.455 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.012 -20.205 -14.888 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.939 -19.036 -13.548 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -21.742 -21.231 -9.988 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -21.747 -22.391 -11.337 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -20.879 -20.846 -11.496 1.00 2.10 H new ATOM 903 N TYR A 58 -24.886 -21.337 -15.697 1.00 15.22 N ATOM 904 CA TYR A 58 -25.085 -21.481 -17.137 1.00 4.35 C ATOM 905 C TYR A 58 -26.199 -20.566 -17.630 1.00 73.40 C ATOM 906 O TYR A 58 -26.170 -20.111 -18.767 1.00 43.54 O ATOM 907 CB TYR A 58 -25.396 -22.933 -17.508 1.00 3.41 C ATOM 908 CG TYR A 58 -24.187 -23.840 -17.476 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.051 -23.523 -18.206 1.00 21.34 C ATOM 910 CD2 TYR A 58 -24.183 -25.012 -16.729 1.00 0.24 C ATOM 911 CE1 TYR A 58 -21.944 -24.345 -18.195 1.00 75.23 C ATOM 912 CE2 TYR A 58 -23.076 -25.839 -16.710 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.960 -25.500 -17.445 1.00 54.23 C ATOM 914 OH TYR A 58 -20.855 -26.316 -17.433 1.00 40.03 O ATOM 0 H TYR A 58 -25.053 -22.189 -15.162 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.155 -21.190 -17.626 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -26.149 -23.321 -16.822 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.832 -22.958 -18.507 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -23.033 -22.617 -18.793 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -25.058 -25.280 -16.155 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -21.069 -24.084 -18.772 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -23.085 -26.745 -16.123 1.00 44.13 H new ATOM 0 HH TYR A 58 -20.048 -25.776 -17.566 1.00 40.03 H new ATOM 924 N LYS A 59 -27.187 -20.323 -16.780 1.00 73.42 N ATOM 925 CA LYS A 59 -28.273 -19.406 -17.106 1.00 51.11 C ATOM 926 C LYS A 59 -27.755 -17.980 -17.249 1.00 44.10 C ATOM 927 O LYS A 59 -27.921 -17.352 -18.294 1.00 22.41 O ATOM 928 CB LYS A 59 -29.360 -19.451 -16.027 1.00 13.12 C ATOM 929 CG LYS A 59 -30.145 -20.751 -15.999 1.00 73.15 C ATOM 930 CD LYS A 59 -31.135 -20.849 -17.152 1.00 61.04 C ATOM 931 CE LYS A 59 -32.372 -19.984 -16.930 1.00 2.45 C ATOM 932 NZ LYS A 59 -32.100 -18.529 -17.100 1.00 73.34 N ATOM 0 H LYS A 59 -27.260 -20.749 -15.856 1.00 73.42 H new ATOM 0 HA LYS A 59 -28.701 -19.723 -18.057 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.897 -19.296 -15.052 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -30.051 -18.624 -16.187 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.453 -21.592 -16.043 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.682 -20.829 -15.054 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -30.644 -20.545 -18.076 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.439 -21.888 -17.279 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -33.151 -20.287 -17.629 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.758 -20.162 -15.926 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -32.932 -18.067 -17.521 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -31.899 -18.103 -16.173 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -31.279 -18.400 -17.725 1.00 73.34 H new ATOM 946 N VAL A 60 -27.117 -17.475 -16.199 1.00 40.42 N ATOM 947 CA VAL A 60 -26.659 -16.091 -16.186 1.00 13.04 C ATOM 948 C VAL A 60 -25.490 -15.871 -17.161 1.00 62.12 C ATOM 949 O VAL A 60 -25.437 -14.851 -17.851 1.00 21.20 O ATOM 950 CB VAL A 60 -26.285 -15.629 -14.753 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.250 -16.545 -14.126 1.00 54.03 C ATOM 952 CG2 VAL A 60 -25.799 -14.189 -14.757 1.00 74.32 C ATOM 0 H VAL A 60 -26.906 -18.000 -15.350 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.491 -15.475 -16.526 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.187 -15.684 -14.144 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.011 -16.192 -13.123 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.648 -17.558 -14.069 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -24.346 -16.544 -14.735 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -25.543 -13.889 -13.741 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -24.918 -14.104 -15.393 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -26.587 -13.540 -15.140 1.00 74.32 H new ATOM 962 N LEU A 61 -24.586 -16.841 -17.245 1.00 32.20 N ATOM 963 CA LEU A 61 -23.442 -16.753 -18.151 1.00 23.13 C ATOM 964 C LEU A 61 -23.674 -17.591 -19.408 1.00 43.05 C ATOM 965 O LEU A 61 -22.740 -18.181 -19.948 1.00 70.44 O ATOM 966 CB LEU A 61 -22.154 -17.217 -17.453 1.00 21.35 C ATOM 967 CG LEU A 61 -21.398 -16.150 -16.648 1.00 63.31 C ATOM 968 CD1 LEU A 61 -21.095 -14.934 -17.512 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.174 -15.743 -15.406 1.00 52.20 C ATOM 0 H LEU A 61 -24.622 -17.700 -16.696 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.332 -15.708 -18.440 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.405 -18.039 -16.782 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.479 -17.618 -18.210 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.453 -16.587 -16.325 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.559 -14.192 -16.920 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.480 -15.235 -18.360 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -22.028 -14.504 -17.875 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.612 -14.987 -14.858 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -23.142 -15.335 -15.699 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.325 -16.615 -14.770 1.00 52.20 H new ATOM 981 N ASP A 62 -24.914 -17.603 -19.891 1.00 51.31 N ATOM 982 CA ASP A 62 -25.302 -18.429 -21.045 1.00 11.45 C ATOM 983 C ASP A 62 -24.550 -18.037 -22.319 1.00 35.13 C ATOM 984 O ASP A 62 -24.536 -18.781 -23.300 1.00 45.22 O ATOM 985 CB ASP A 62 -26.815 -18.327 -21.276 1.00 14.42 C ATOM 986 CG ASP A 62 -27.320 -19.289 -22.337 1.00 30.25 C ATOM 987 OD1 ASP A 62 -27.356 -20.513 -22.071 1.00 64.21 O ATOM 988 OD2 ASP A 62 -27.689 -18.829 -23.437 1.00 3.33 O ATOM 0 H ASP A 62 -25.676 -17.048 -19.502 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.032 -19.459 -20.813 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -27.334 -18.524 -20.338 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -27.064 -17.307 -21.570 1.00 14.42 H new ATOM 993 N GLY A 63 -23.910 -16.876 -22.292 1.00 4.15 N ATOM 994 CA GLY A 63 -23.167 -16.407 -23.446 1.00 43.43 C ATOM 995 C GLY A 63 -21.884 -17.189 -23.678 1.00 33.13 C ATOM 996 O GLY A 63 -21.300 -17.124 -24.760 1.00 43.24 O ATOM 0 H GLY A 63 -23.892 -16.248 -21.488 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -23.797 -16.480 -24.332 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -22.925 -15.352 -23.313 1.00 43.43 H new ATOM 1000 N LEU A 64 -21.444 -17.928 -22.664 1.00 51.34 N ATOM 1001 CA LEU A 64 -20.223 -18.722 -22.760 1.00 3.45 C ATOM 1002 C LEU A 64 -20.430 -20.097 -22.137 1.00 42.35 C ATOM 1003 O LEU A 64 -21.195 -20.248 -21.185 1.00 0.34 O ATOM 1004 CB LEU A 64 -19.061 -18.007 -22.057 1.00 54.54 C ATOM 1005 CG LEU A 64 -18.607 -16.688 -22.692 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -17.562 -16.015 -21.816 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -18.050 -16.928 -24.089 1.00 63.23 C ATOM 0 H LEU A 64 -21.917 -17.994 -21.763 1.00 51.34 H new ATOM 0 HA LEU A 64 -19.979 -18.844 -23.815 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -19.351 -17.810 -21.025 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -18.208 -18.685 -22.025 1.00 54.54 H new ATOM 0 HG LEU A 64 -19.472 -16.030 -22.776 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -17.248 -15.079 -22.278 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -17.988 -15.810 -20.834 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -16.700 -16.673 -21.707 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -17.733 -15.979 -24.522 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -17.196 -17.603 -24.029 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -18.822 -17.374 -24.717 1.00 63.23 H new ATOM 1019 N ASN A 65 -19.761 -21.101 -22.680 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.806 -22.439 -22.104 1.00 60.20 C ATOM 1021 C ASN A 65 -18.874 -22.521 -20.901 1.00 64.31 C ATOM 1022 O ASN A 65 -17.670 -22.754 -21.041 1.00 34.35 O ATOM 1023 CB ASN A 65 -19.444 -23.502 -23.144 1.00 11.43 C ATOM 1024 CG ASN A 65 -20.550 -23.734 -24.163 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -20.282 -24.051 -25.321 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -21.800 -23.584 -23.741 1.00 54.41 N ATOM 0 H ASN A 65 -19.182 -21.018 -23.516 1.00 64.21 H new ATOM 0 HA ASN A 65 -20.826 -22.636 -21.773 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -18.535 -23.199 -23.664 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -19.223 -24.440 -22.635 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -22.577 -23.733 -24.385 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -21.983 -23.320 -22.773 1.00 54.41 H new ATOM 1033 N ILE A 66 -19.438 -22.304 -19.720 1.00 12.30 N ATOM 1034 CA ILE A 66 -18.656 -22.241 -18.495 1.00 41.44 C ATOM 1035 C ILE A 66 -18.158 -23.623 -18.076 1.00 2.50 C ATOM 1036 O ILE A 66 -18.892 -24.413 -17.484 1.00 31.11 O ATOM 1037 CB ILE A 66 -19.468 -21.619 -17.336 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -20.015 -20.245 -17.742 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -18.612 -21.499 -16.081 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -18.943 -19.244 -18.118 1.00 65.41 C ATOM 0 H ILE A 66 -20.440 -22.168 -19.586 1.00 12.30 H new ATOM 0 HA ILE A 66 -17.797 -21.605 -18.707 1.00 41.44 H new ATOM 0 HB ILE A 66 -20.308 -22.278 -17.116 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -20.694 -20.370 -18.586 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -20.603 -19.841 -16.918 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -19.203 -21.059 -15.278 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -18.269 -22.488 -15.779 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -17.751 -20.864 -16.287 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -19.409 -18.298 -18.393 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -18.277 -19.088 -17.269 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -18.370 -19.625 -18.963 1.00 65.41 H new ATOM 1052 N HIS A 67 -16.917 -23.921 -18.422 1.00 15.31 N ATOM 1053 CA HIS A 67 -16.268 -25.148 -17.978 1.00 41.12 C ATOM 1054 C HIS A 67 -14.976 -24.801 -17.251 1.00 13.15 C ATOM 1055 O HIS A 67 -14.083 -25.635 -17.100 1.00 11.25 O ATOM 1056 CB HIS A 67 -15.977 -26.081 -19.162 1.00 61.24 C ATOM 1057 CG HIS A 67 -17.208 -26.606 -19.840 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -17.975 -27.625 -19.321 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -17.800 -26.251 -21.004 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -18.984 -27.876 -20.136 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -18.902 -27.055 -21.166 1.00 5.34 N ATOM 0 H HIS A 67 -16.334 -23.328 -19.012 1.00 15.31 H new ATOM 0 HA HIS A 67 -16.941 -25.672 -17.299 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -15.372 -25.545 -19.893 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -15.381 -26.923 -18.810 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -17.467 -25.478 -21.681 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -19.747 -28.626 -19.985 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -19.550 -27.023 -21.953 1.00 5.34 H new ATOM 1070 N ALA A 68 -14.895 -23.556 -16.798 1.00 1.04 N ATOM 1071 CA ALA A 68 -13.722 -23.058 -16.100 1.00 21.21 C ATOM 1072 C ALA A 68 -14.143 -22.279 -14.860 1.00 64.03 C ATOM 1073 O ALA A 68 -15.216 -21.673 -14.838 1.00 11.40 O ATOM 1074 CB ALA A 68 -12.892 -22.179 -17.024 1.00 11.23 C ATOM 0 H ALA A 68 -15.639 -22.867 -16.905 1.00 1.04 H new ATOM 0 HA ALA A 68 -13.111 -23.905 -15.789 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -12.016 -21.813 -16.488 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -12.571 -22.760 -17.888 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -13.493 -21.333 -17.358 1.00 11.23 H new ATOM 1080 N ILE A 69 -13.304 -22.304 -13.836 1.00 52.42 N ATOM 1081 CA ILE A 69 -13.606 -21.626 -12.586 1.00 0.05 C ATOM 1082 C ILE A 69 -13.412 -20.118 -12.729 1.00 34.51 C ATOM 1083 O ILE A 69 -12.285 -19.615 -12.717 1.00 0.24 O ATOM 1084 CB ILE A 69 -12.735 -22.153 -11.423 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -12.914 -23.669 -11.261 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -13.080 -21.432 -10.124 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -14.341 -24.095 -10.970 1.00 43.35 C ATOM 0 H ILE A 69 -12.406 -22.788 -13.847 1.00 52.42 H new ATOM 0 HA ILE A 69 -14.650 -21.835 -12.352 1.00 0.05 H new ATOM 0 HB ILE A 69 -11.690 -21.953 -11.659 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.577 -24.164 -12.172 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -12.270 -24.016 -10.453 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -12.456 -21.817 -9.317 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -12.901 -20.363 -10.242 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -14.130 -21.600 -9.883 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -14.384 -25.180 -10.869 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -14.677 -23.631 -10.043 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -14.989 -23.781 -11.789 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.518 -19.411 -12.897 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.499 -17.958 -13.003 1.00 45.13 C ATOM 1101 C GLN A 70 -15.517 -17.357 -12.041 1.00 54.23 C ATOM 1102 O GLN A 70 -15.256 -16.355 -11.372 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.804 -17.530 -14.445 1.00 3.32 C ATOM 1104 CG GLN A 70 -14.805 -16.021 -14.660 1.00 45.50 C ATOM 1105 CD GLN A 70 -13.485 -15.370 -14.291 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -12.583 -15.258 -15.119 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -13.370 -14.928 -13.050 1.00 43.43 N ATOM 0 H GLN A 70 -15.449 -19.823 -12.964 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.507 -17.593 -12.737 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -14.067 -17.980 -15.110 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -15.777 -17.928 -14.732 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -15.029 -15.808 -15.705 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.603 -15.575 -14.066 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -14.143 -15.041 -12.395 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -12.508 -14.474 -12.748 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.677 -17.986 -11.974 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.723 -17.576 -11.057 1.00 32.34 C ATOM 1118 C ILE A 71 -17.948 -18.649 -9.999 1.00 21.45 C ATOM 1119 O ILE A 71 -18.231 -19.805 -10.317 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.043 -17.267 -11.805 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.224 -17.175 -10.822 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.297 -18.314 -12.875 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.551 -16.835 -11.473 1.00 61.50 C ATOM 0 H ILE A 71 -16.919 -18.791 -12.551 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.398 -16.658 -10.566 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.947 -16.297 -12.293 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.322 -18.127 -10.299 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.997 -16.420 -10.069 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.228 -18.086 -13.394 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.474 -18.312 -13.589 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.372 -19.298 -12.411 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.329 -16.790 -10.711 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -21.475 -15.869 -11.971 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.804 -17.602 -12.205 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.784 -18.267 -8.744 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.017 -19.173 -7.632 1.00 11.31 C ATOM 1137 C GLN A 72 -19.239 -18.737 -6.845 1.00 41.51 C ATOM 1138 O GLN A 72 -19.340 -17.590 -6.415 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.798 -19.257 -6.711 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.705 -20.178 -7.234 1.00 75.12 C ATOM 1141 CD GLN A 72 -14.591 -20.400 -6.227 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -14.257 -19.514 -5.440 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.019 -21.595 -6.224 1.00 23.21 N ATOM 0 H GLN A 72 -17.489 -17.330 -8.469 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.193 -20.166 -8.044 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.386 -18.257 -6.575 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.118 -19.606 -5.729 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -16.144 -21.139 -7.502 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.285 -19.754 -8.146 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.320 -22.306 -6.890 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.277 -21.804 -5.555 1.00 23.21 H new ATOM 1152 N THR A 73 -20.169 -19.651 -6.678 1.00 51.10 N ATOM 1153 CA THR A 73 -21.400 -19.362 -5.976 1.00 71.51 C ATOM 1154 C THR A 73 -21.324 -19.882 -4.542 1.00 31.34 C ATOM 1155 O THR A 73 -20.458 -20.697 -4.219 1.00 0.24 O ATOM 1156 CB THR A 73 -22.584 -20.012 -6.709 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.347 -19.980 -8.123 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.877 -19.281 -6.409 1.00 60.22 C ATOM 0 H THR A 73 -20.095 -20.608 -7.022 1.00 51.10 H new ATOM 0 HA THR A 73 -21.546 -18.282 -5.950 1.00 71.51 H new ATOM 0 HB THR A 73 -22.676 -21.042 -6.364 1.00 1.24 H new ATOM 0 HG1 THR A 73 -23.162 -20.247 -8.597 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.698 -19.762 -6.940 1.00 60.22 H new ATOM 0 HG22 THR A 73 -24.071 -19.311 -5.337 1.00 60.22 H new ATOM 0 HG23 THR A 73 -23.792 -18.244 -6.734 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.211 -19.388 -3.682 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.262 -19.854 -2.309 1.00 10.41 C ATOM 1168 C GLY A 74 -22.756 -21.284 -2.201 1.00 15.25 C ATOM 1169 O GLY A 74 -23.949 -21.526 -2.012 1.00 44.31 O ATOM 0 H GLY A 74 -22.898 -18.670 -3.914 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.268 -19.781 -1.867 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.917 -19.202 -1.731 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.839 -22.228 -2.335 1.00 41.31 N ATOM 1174 CA CYS A 75 -22.169 -23.640 -2.231 1.00 31.41 C ATOM 1175 C CYS A 75 -22.254 -24.040 -0.761 1.00 22.14 C ATOM 1176 O CYS A 75 -21.277 -23.924 -0.021 1.00 42.21 O ATOM 1177 CB CYS A 75 -21.109 -24.480 -2.956 1.00 54.21 C ATOM 1178 SG CYS A 75 -21.454 -26.255 -3.001 1.00 1.04 S ATOM 0 H CYS A 75 -20.853 -22.040 -2.517 1.00 41.31 H new ATOM 0 HA CYS A 75 -23.135 -23.821 -2.701 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -21.014 -24.116 -3.979 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -20.146 -24.323 -2.471 1.00 54.21 H new ATOM 0 HG CYS A 75 -20.499 -26.867 -3.637 1.00 1.04 H new ATOM 1184 N LYS A 76 -23.428 -24.490 -0.343 1.00 72.44 N ATOM 1185 CA LYS A 76 -23.660 -24.850 1.047 1.00 24.13 C ATOM 1186 C LYS A 76 -23.749 -26.366 1.196 1.00 65.44 C ATOM 1187 O LYS A 76 -24.829 -26.936 0.938 1.00 51.21 O ATOM 1188 CB LYS A 76 -24.940 -24.178 1.549 1.00 54.32 C ATOM 1189 CG LYS A 76 -25.200 -24.368 3.033 1.00 62.33 C ATOM 1190 CD LYS A 76 -26.389 -23.540 3.487 1.00 31.01 C ATOM 1191 CE LYS A 76 -26.652 -23.697 4.974 1.00 51.33 C ATOM 1192 NZ LYS A 76 -27.737 -22.790 5.432 1.00 72.41 N ATOM 1193 OXT LYS A 76 -22.727 -26.987 1.558 1.00 0.00 O ATOM 0 H LYS A 76 -24.238 -24.615 -0.950 1.00 72.44 H new ATOM 0 HA LYS A 76 -22.822 -24.500 1.651 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -24.885 -23.111 1.335 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -25.788 -24.572 0.989 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -25.385 -25.422 3.241 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -24.315 -24.082 3.601 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -26.208 -22.490 3.259 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -27.275 -23.840 2.928 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -26.924 -24.730 5.190 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -25.739 -23.485 5.531 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -27.505 -22.420 6.376 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -27.833 -21.999 4.764 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -28.633 -23.316 5.477 1.00 72.41 H new TER 1207 LYS A 76