USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=20 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 71 SER OG : rot 37:sc= 0.36 USER MOD Set 1.2: A 74 SER OG : rot 101:sc= -3.38! USER MOD Set 2.1: A 43 THR OG1 : rot -59:sc= 2.17 USER MOD Set 2.2: A 47 THR OG1 : rot -20:sc= 0.967 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0884 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0982 K(o=-0.098,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -55:sc= 0.581 USER MOD Single : A 12 TYR OH : rot 100:sc= -2.86! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 27 THR OG1 : rot 63:sc= 0.0886 USER MOD Single : A 28 GLN : amide:sc= -0.782 K(o=-0.78,f=-2) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.411) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0125 (180deg=-0.405) USER MOD Single : A 41 GLN : amide:sc= -1.75 K(o=-1.7,f=-5.9!) USER MOD Single : A 42 ASN : amide:sc= -1.79 K(o=-1.8,f=-5.3!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= -0.938 (180deg=-3.89!) USER MOD Single : A 53 GLN : amide:sc= -1.09 K(o=-1.1,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 58 LYS NZ :NH3+ 153:sc=-0.00715 (180deg=-0.149) USER MOD Single : A 62 MET CE :methyl -165:sc= -0.156 (180deg=-0.696) USER MOD Single : A 63 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.0357 (180deg=-0.24) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.0967 (180deg=-0.474) USER MOD Single : A 80 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.98) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00383 X(o=-0.0038,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 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.607 4.414 -12.856 1.00 14.43 N ATOM 2 CA GLY A 1 6.932 3.186 -13.232 1.00 34.13 C ATOM 3 C GLY A 1 6.007 2.676 -12.144 1.00 54.44 C ATOM 4 O GLY A 1 5.751 3.371 -11.162 1.00 1.55 O ATOM 0 H1 GLY A 1 7.499 5.116 -13.615 1.00 14.43 H new ATOM 0 H2 GLY A 1 7.189 4.785 -11.979 1.00 14.43 H new ATOM 0 H3 GLY A 1 8.618 4.222 -12.704 1.00 14.43 H new ATOM 0 HA2 GLY A 1 6.358 3.355 -14.143 1.00 34.13 H new ATOM 0 HA3 GLY A 1 7.675 2.422 -13.461 1.00 34.13 H new ATOM 8 N ALA A 2 5.502 1.460 -12.321 1.00 71.31 N ATOM 9 CA ALA A 2 4.600 0.858 -11.347 1.00 22.22 C ATOM 10 C ALA A 2 5.360 -0.044 -10.380 1.00 13.03 C ATOM 11 O ALA A 2 6.556 -0.278 -10.545 1.00 44.43 O ATOM 12 CB ALA A 2 3.506 0.073 -12.055 1.00 20.31 C ATOM 0 H ALA A 2 5.702 0.872 -13.130 1.00 71.31 H new ATOM 0 HA ALA A 2 4.140 1.660 -10.770 1.00 22.22 H new ATOM 0 HB1 ALA A 2 2.840 -0.371 -11.315 1.00 20.31 H new ATOM 0 HB2 ALA A 2 2.937 0.743 -12.700 1.00 20.31 H new ATOM 0 HB3 ALA A 2 3.956 -0.716 -12.658 1.00 20.31 H new ATOM 18 N GLU A 3 4.656 -0.547 -9.370 1.00 41.11 N ATOM 19 CA GLU A 3 5.266 -1.422 -8.376 1.00 2.12 C ATOM 20 C GLU A 3 4.719 -2.842 -8.492 1.00 3.20 C ATOM 21 O GLU A 3 4.125 -3.369 -7.552 1.00 45.22 O ATOM 22 CB GLU A 3 5.017 -0.881 -6.966 1.00 74.24 C ATOM 23 CG GLU A 3 3.546 -0.674 -6.646 1.00 11.15 C ATOM 24 CD GLU A 3 3.249 -0.799 -5.164 1.00 11.42 C ATOM 25 OE1 GLU A 3 4.025 -0.247 -4.355 1.00 53.24 O ATOM 26 OE2 GLU A 3 2.242 -1.448 -4.813 1.00 14.44 O ATOM 0 H GLU A 3 3.664 -0.364 -9.219 1.00 41.11 H new ATOM 0 HA GLU A 3 6.340 -1.448 -8.563 1.00 2.12 H new ATOM 0 HB2 GLU A 3 5.445 -1.572 -6.240 1.00 74.24 H new ATOM 0 HB3 GLU A 3 5.542 0.067 -6.851 1.00 74.24 H new ATOM 0 HG2 GLU A 3 3.238 0.312 -6.993 1.00 11.15 H new ATOM 0 HG3 GLU A 3 2.952 -1.405 -7.195 1.00 11.15 H new ATOM 33 N GLY A 4 4.924 -3.456 -9.654 1.00 2.44 N ATOM 34 CA GLY A 4 4.445 -4.808 -9.873 1.00 5.14 C ATOM 35 C GLY A 4 5.504 -5.852 -9.579 1.00 63.35 C ATOM 36 O GLY A 4 6.652 -5.518 -9.291 1.00 45.23 O ATOM 0 H GLY A 4 5.413 -3.041 -10.447 1.00 2.44 H new ATOM 0 HA2 GLY A 4 3.575 -4.989 -9.241 1.00 5.14 H new ATOM 0 HA3 GLY A 4 4.115 -4.910 -10.907 1.00 5.14 H new ATOM 40 N ASN A 5 5.117 -7.122 -9.652 1.00 0.34 N ATOM 41 CA ASN A 5 6.041 -8.219 -9.389 1.00 44.13 C ATOM 42 C ASN A 5 6.009 -9.240 -10.522 1.00 71.23 C ATOM 43 O ASN A 5 6.292 -10.421 -10.318 1.00 34.25 O ATOM 44 CB ASN A 5 5.695 -8.900 -8.064 1.00 14.22 C ATOM 45 CG ASN A 5 6.893 -9.584 -7.434 1.00 51.52 C ATOM 46 OD1 ASN A 5 8.007 -9.512 -7.954 1.00 55.01 O ATOM 47 ND2 ASN A 5 6.669 -10.252 -6.309 1.00 12.44 N ATOM 0 H ASN A 5 4.170 -7.416 -9.891 1.00 0.34 H new ATOM 0 HA ASN A 5 7.047 -7.805 -9.324 1.00 44.13 H new ATOM 0 HB2 ASN A 5 5.298 -8.159 -7.371 1.00 14.22 H new ATOM 0 HB3 ASN A 5 4.907 -9.635 -8.231 1.00 14.22 H new ATOM 0 HD21 ASN A 5 7.437 -10.732 -5.840 1.00 12.44 H new ATOM 0 HD22 ASN A 5 5.729 -10.285 -5.914 1.00 12.44 H new ATOM 54 N THR A 6 5.663 -8.777 -11.719 1.00 74.25 N ATOM 55 CA THR A 6 5.592 -9.649 -12.885 1.00 64.11 C ATOM 56 C THR A 6 6.885 -9.595 -13.691 1.00 24.02 C ATOM 57 O THR A 6 7.112 -8.659 -14.458 1.00 40.43 O ATOM 58 CB THR A 6 4.414 -9.269 -13.801 1.00 52.31 C ATOM 59 OG1 THR A 6 3.336 -8.743 -13.019 1.00 74.02 O ATOM 60 CG2 THR A 6 3.932 -10.475 -14.592 1.00 70.42 C ATOM 0 H THR A 6 5.427 -7.802 -11.906 1.00 74.25 H new ATOM 0 HA THR A 6 5.440 -10.662 -12.513 1.00 64.11 H new ATOM 0 HB THR A 6 4.758 -8.509 -14.502 1.00 52.31 H new ATOM 0 HG1 THR A 6 2.591 -8.502 -13.609 1.00 74.02 H new ATOM 0 HG21 THR A 6 3.100 -10.182 -15.232 1.00 70.42 H new ATOM 0 HG22 THR A 6 4.747 -10.855 -15.208 1.00 70.42 H new ATOM 0 HG23 THR A 6 3.604 -11.254 -13.904 1.00 70.42 H new ATOM 68 N LEU A 7 7.731 -10.604 -13.513 1.00 35.33 N ATOM 69 CA LEU A 7 9.002 -10.672 -14.225 1.00 21.25 C ATOM 70 C LEU A 7 8.886 -11.553 -15.464 1.00 74.04 C ATOM 71 O LEU A 7 8.378 -12.673 -15.397 1.00 11.23 O ATOM 72 CB LEU A 7 10.097 -11.212 -13.303 1.00 10.24 C ATOM 73 CG LEU A 7 10.285 -10.471 -11.978 1.00 41.45 C ATOM 74 CD1 LEU A 7 10.752 -11.428 -10.893 1.00 11.43 C ATOM 75 CD2 LEU A 7 11.274 -9.326 -12.144 1.00 14.40 C ATOM 0 H LEU A 7 7.559 -11.386 -12.881 1.00 35.33 H new ATOM 0 HA LEU A 7 9.267 -9.663 -14.542 1.00 21.25 H new ATOM 0 HB2 LEU A 7 9.877 -12.257 -13.084 1.00 10.24 H new ATOM 0 HB3 LEU A 7 11.043 -11.192 -13.845 1.00 10.24 H new ATOM 0 HG LEU A 7 9.324 -10.054 -11.677 1.00 41.45 H new ATOM 0 HD11 LEU A 7 10.880 -10.883 -9.958 1.00 11.43 H new ATOM 0 HD12 LEU A 7 10.009 -12.214 -10.756 1.00 11.43 H new ATOM 0 HD13 LEU A 7 11.702 -11.875 -11.186 1.00 11.43 H new ATOM 0 HD21 LEU A 7 11.396 -8.810 -11.192 1.00 14.40 H new ATOM 0 HD22 LEU A 7 12.237 -9.721 -12.468 1.00 14.40 H new ATOM 0 HD23 LEU A 7 10.899 -8.626 -12.891 1.00 14.40 H new ATOM 87 N ILE A 8 9.361 -11.041 -16.594 1.00 52.45 N ATOM 88 CA ILE A 8 9.313 -11.782 -17.848 1.00 72.14 C ATOM 89 C ILE A 8 10.633 -11.670 -18.604 1.00 33.40 C ATOM 90 O ILE A 8 11.594 -11.082 -18.110 1.00 45.13 O ATOM 91 CB ILE A 8 8.172 -11.283 -18.754 1.00 52.14 C ATOM 92 CG1 ILE A 8 8.401 -9.820 -19.141 1.00 32.23 C ATOM 93 CG2 ILE A 8 6.830 -11.448 -18.056 1.00 62.22 C ATOM 94 CD1 ILE A 8 7.414 -9.304 -20.164 1.00 15.22 C ATOM 0 H ILE A 8 9.784 -10.116 -16.667 1.00 52.45 H new ATOM 0 HA ILE A 8 9.132 -12.826 -17.591 1.00 72.14 H new ATOM 0 HB ILE A 8 8.162 -11.883 -19.664 1.00 52.14 H new ATOM 0 HG12 ILE A 8 8.340 -9.202 -18.245 1.00 32.23 H new ATOM 0 HG13 ILE A 8 9.411 -9.711 -19.535 1.00 32.23 H new ATOM 0 HG21 ILE A 8 6.034 -11.091 -18.709 1.00 62.22 H new ATOM 0 HG22 ILE A 8 6.666 -12.501 -17.827 1.00 62.22 H new ATOM 0 HG23 ILE A 8 6.827 -10.871 -17.132 1.00 62.22 H new ATOM 0 HD11 ILE A 8 7.636 -8.261 -20.391 1.00 15.22 H new ATOM 0 HD12 ILE A 8 7.490 -9.898 -21.075 1.00 15.22 H new ATOM 0 HD13 ILE A 8 6.403 -9.381 -19.765 1.00 15.22 H new ATOM 106 N SER A 9 10.670 -12.238 -19.805 1.00 64.13 N ATOM 107 CA SER A 9 11.873 -12.204 -20.629 1.00 61.23 C ATOM 108 C SER A 9 11.515 -12.189 -22.112 1.00 42.33 C ATOM 109 O SER A 9 11.095 -13.201 -22.672 1.00 35.30 O ATOM 110 CB SER A 9 12.763 -13.410 -20.320 1.00 53.22 C ATOM 111 OG SER A 9 12.052 -14.624 -20.487 1.00 71.33 O ATOM 0 H SER A 9 9.882 -12.727 -20.229 1.00 64.13 H new ATOM 0 HA SER A 9 12.418 -11.290 -20.395 1.00 61.23 H new ATOM 0 HB2 SER A 9 13.633 -13.401 -20.976 1.00 53.22 H new ATOM 0 HB3 SER A 9 13.134 -13.340 -19.297 1.00 53.22 H new ATOM 0 HG SER A 9 11.239 -14.605 -19.940 1.00 71.33 H new ATOM 117 N VAL A 10 11.686 -11.031 -22.744 1.00 35.34 N ATOM 118 CA VAL A 10 11.382 -10.882 -24.162 1.00 21.31 C ATOM 119 C VAL A 10 12.563 -10.282 -24.916 1.00 61.25 C ATOM 120 O VAL A 10 13.064 -9.215 -24.560 1.00 35.53 O ATOM 121 CB VAL A 10 10.143 -9.994 -24.380 1.00 73.34 C ATOM 122 CG1 VAL A 10 10.328 -8.643 -23.707 1.00 64.02 C ATOM 123 CG2 VAL A 10 9.864 -9.825 -25.866 1.00 63.23 C ATOM 0 H VAL A 10 12.033 -10.183 -22.296 1.00 35.34 H new ATOM 0 HA VAL A 10 11.177 -11.880 -24.549 1.00 21.31 H new ATOM 0 HB VAL A 10 9.282 -10.484 -23.925 1.00 73.34 H new ATOM 0 HG11 VAL A 10 9.442 -8.030 -23.872 1.00 64.02 H new ATOM 0 HG12 VAL A 10 10.475 -8.787 -22.637 1.00 64.02 H new ATOM 0 HG13 VAL A 10 11.200 -8.143 -24.129 1.00 64.02 H new ATOM 0 HG21 VAL A 10 8.985 -9.195 -26.002 1.00 63.23 H new ATOM 0 HG22 VAL A 10 10.723 -9.358 -26.347 1.00 63.23 H new ATOM 0 HG23 VAL A 10 9.683 -10.801 -26.316 1.00 63.23 H new ATOM 133 N ASP A 11 13.004 -10.974 -25.961 1.00 74.33 N ATOM 134 CA ASP A 11 14.126 -10.509 -26.768 1.00 74.25 C ATOM 135 C ASP A 11 13.663 -10.122 -28.170 1.00 23.22 C ATOM 136 O ASP A 11 12.701 -10.683 -28.694 1.00 60.41 O ATOM 137 CB ASP A 11 15.203 -11.591 -26.854 1.00 60.41 C ATOM 138 CG ASP A 11 14.750 -12.798 -27.653 1.00 11.41 C ATOM 139 OD1 ASP A 11 13.619 -13.273 -27.419 1.00 23.02 O ATOM 140 OD2 ASP A 11 15.526 -13.267 -28.512 1.00 2.24 O ATOM 0 H ASP A 11 12.601 -11.859 -26.269 1.00 74.33 H new ATOM 0 HA ASP A 11 14.547 -9.626 -26.287 1.00 74.25 H new ATOM 0 HB2 ASP A 11 16.099 -11.172 -27.311 1.00 60.41 H new ATOM 0 HB3 ASP A 11 15.477 -11.907 -25.848 1.00 60.41 H new ATOM 145 N TYR A 12 14.354 -9.160 -28.770 1.00 42.51 N ATOM 146 CA TYR A 12 14.012 -8.695 -30.109 1.00 45.22 C ATOM 147 C TYR A 12 15.213 -8.034 -30.779 1.00 41.43 C ATOM 148 O TYR A 12 16.242 -7.802 -30.145 1.00 34.32 O ATOM 149 CB TYR A 12 12.843 -7.711 -30.047 1.00 40.23 C ATOM 150 CG TYR A 12 13.030 -6.612 -29.025 1.00 74.14 C ATOM 151 CD1 TYR A 12 14.028 -5.657 -29.178 1.00 34.23 C ATOM 152 CD2 TYR A 12 12.209 -6.529 -27.907 1.00 70.24 C ATOM 153 CE1 TYR A 12 14.202 -4.652 -28.246 1.00 44.13 C ATOM 154 CE2 TYR A 12 12.375 -5.527 -26.972 1.00 5.41 C ATOM 155 CZ TYR A 12 13.374 -4.591 -27.146 1.00 15.45 C ATOM 156 OH TYR A 12 13.544 -3.591 -26.215 1.00 75.11 O ATOM 0 H TYR A 12 15.154 -8.687 -28.351 1.00 42.51 H new ATOM 0 HA TYR A 12 13.718 -9.561 -30.703 1.00 45.22 H new ATOM 0 HB2 TYR A 12 12.705 -7.262 -31.030 1.00 40.23 H new ATOM 0 HB3 TYR A 12 11.930 -8.259 -29.816 1.00 40.23 H new ATOM 0 HD1 TYR A 12 14.678 -5.701 -30.039 1.00 34.23 H new ATOM 0 HD2 TYR A 12 11.427 -7.261 -27.767 1.00 70.24 H new ATOM 0 HE1 TYR A 12 14.983 -3.918 -28.379 1.00 44.13 H new ATOM 0 HE2 TYR A 12 11.727 -5.476 -26.110 1.00 5.41 H new ATOM 0 HH TYR A 12 12.886 -2.882 -26.372 1.00 75.11 H new ATOM 166 N GLU A 13 15.072 -7.732 -32.066 1.00 44.13 N ATOM 167 CA GLU A 13 16.145 -7.098 -32.823 1.00 42.52 C ATOM 168 C GLU A 13 15.683 -5.767 -33.411 1.00 4.04 C ATOM 169 O GLU A 13 15.194 -5.711 -34.539 1.00 62.33 O ATOM 170 CB GLU A 13 16.625 -8.023 -33.943 1.00 44.23 C ATOM 171 CG GLU A 13 15.495 -8.641 -34.749 1.00 10.12 C ATOM 172 CD GLU A 13 15.904 -8.970 -36.171 1.00 65.22 C ATOM 173 OE1 GLU A 13 16.432 -8.072 -36.860 1.00 74.34 O ATOM 174 OE2 GLU A 13 15.698 -10.127 -36.595 1.00 14.22 O ATOM 0 H GLU A 13 14.226 -7.916 -32.606 1.00 44.13 H new ATOM 0 HA GLU A 13 16.973 -6.907 -32.140 1.00 42.52 H new ATOM 0 HB2 GLU A 13 17.273 -7.460 -34.615 1.00 44.23 H new ATOM 0 HB3 GLU A 13 17.229 -8.820 -33.510 1.00 44.23 H new ATOM 0 HG2 GLU A 13 15.155 -9.550 -34.253 1.00 10.12 H new ATOM 0 HG3 GLU A 13 14.649 -7.954 -34.768 1.00 10.12 H new ATOM 181 N ILE A 14 15.842 -4.699 -32.637 1.00 11.42 N ATOM 182 CA ILE A 14 15.442 -3.369 -33.080 1.00 1.20 C ATOM 183 C ILE A 14 16.116 -3.003 -34.398 1.00 1.20 C ATOM 184 O ILE A 14 17.270 -3.360 -34.638 1.00 33.01 O ATOM 185 CB ILE A 14 15.784 -2.298 -32.027 1.00 33.10 C ATOM 186 CG1 ILE A 14 15.063 -2.598 -30.711 1.00 4.22 C ATOM 187 CG2 ILE A 14 15.411 -0.915 -32.538 1.00 54.51 C ATOM 188 CD1 ILE A 14 13.559 -2.675 -30.849 1.00 40.12 C ATOM 0 H ILE A 14 16.245 -4.729 -31.700 1.00 11.42 H new ATOM 0 HA ILE A 14 14.362 -3.395 -33.222 1.00 1.20 H new ATOM 0 HB ILE A 14 16.858 -2.319 -31.844 1.00 33.10 H new ATOM 0 HG12 ILE A 14 15.432 -3.543 -30.311 1.00 4.22 H new ATOM 0 HG13 ILE A 14 15.314 -1.825 -29.984 1.00 4.22 H new ATOM 0 HG21 ILE A 14 15.659 -0.169 -31.783 1.00 54.51 H new ATOM 0 HG22 ILE A 14 15.965 -0.703 -33.453 1.00 54.51 H new ATOM 0 HG23 ILE A 14 14.341 -0.880 -32.745 1.00 54.51 H new ATOM 0 HD11 ILE A 14 13.115 -2.891 -29.877 1.00 40.12 H new ATOM 0 HD12 ILE A 14 13.178 -1.723 -31.219 1.00 40.12 H new ATOM 0 HD13 ILE A 14 13.298 -3.467 -31.551 1.00 40.12 H new ATOM 200 N PHE A 15 15.389 -2.287 -35.249 1.00 42.41 N ATOM 201 CA PHE A 15 15.917 -1.871 -36.543 1.00 52.44 C ATOM 202 C PHE A 15 16.390 -0.421 -36.497 1.00 51.34 C ATOM 203 O PHE A 15 16.400 0.207 -35.439 1.00 44.14 O ATOM 204 CB PHE A 15 14.852 -2.037 -37.629 1.00 71.34 C ATOM 205 CG PHE A 15 14.108 -3.339 -37.545 1.00 30.32 C ATOM 206 CD1 PHE A 15 14.794 -4.538 -37.433 1.00 73.24 C ATOM 207 CD2 PHE A 15 12.723 -3.364 -37.576 1.00 20.40 C ATOM 208 CE1 PHE A 15 14.111 -5.738 -37.356 1.00 44.41 C ATOM 209 CE2 PHE A 15 12.035 -4.561 -37.499 1.00 3.14 C ATOM 210 CZ PHE A 15 12.731 -5.749 -37.387 1.00 54.15 C ATOM 0 H PHE A 15 14.433 -1.983 -35.066 1.00 42.41 H new ATOM 0 HA PHE A 15 16.771 -2.506 -36.780 1.00 52.44 H new ATOM 0 HB2 PHE A 15 14.140 -1.215 -37.557 1.00 71.34 H new ATOM 0 HB3 PHE A 15 15.327 -1.962 -38.607 1.00 71.34 H new ATOM 0 HD1 PHE A 15 15.874 -4.535 -37.406 1.00 73.24 H new ATOM 0 HD2 PHE A 15 12.174 -2.438 -37.661 1.00 20.40 H new ATOM 0 HE1 PHE A 15 14.657 -6.666 -37.272 1.00 44.41 H new ATOM 0 HE2 PHE A 15 10.955 -4.567 -37.526 1.00 3.14 H new ATOM 0 HZ PHE A 15 12.196 -6.685 -37.324 1.00 54.15 H new ATOM 220 N GLY A 16 16.782 0.105 -37.654 1.00 74.12 N ATOM 221 CA GLY A 16 17.251 1.476 -37.725 1.00 3.22 C ATOM 222 C GLY A 16 18.678 1.575 -38.226 1.00 44.20 C ATOM 223 O GLY A 16 19.234 0.603 -38.739 1.00 14.23 O ATOM 0 H GLY A 16 16.783 -0.395 -38.543 1.00 74.12 H new ATOM 0 HA2 GLY A 16 16.597 2.047 -38.384 1.00 3.22 H new ATOM 0 HA3 GLY A 16 17.184 1.932 -36.737 1.00 3.22 H new ATOM 227 N LYS A 17 19.275 2.754 -38.080 1.00 33.41 N ATOM 228 CA LYS A 17 20.646 2.978 -38.522 1.00 21.33 C ATOM 229 C LYS A 17 21.626 2.796 -37.367 1.00 42.40 C ATOM 230 O LYS A 17 22.653 3.472 -37.300 1.00 24.43 O ATOM 231 CB LYS A 17 20.791 4.382 -39.112 1.00 15.45 C ATOM 232 CG LYS A 17 20.465 5.492 -38.127 1.00 4.04 C ATOM 233 CD LYS A 17 21.151 6.794 -38.507 1.00 31.31 C ATOM 234 CE LYS A 17 22.624 6.778 -38.130 1.00 4.43 C ATOM 235 NZ LYS A 17 23.344 7.970 -38.658 1.00 5.10 N ATOM 0 H LYS A 17 18.830 3.569 -37.659 1.00 33.41 H new ATOM 0 HA LYS A 17 20.878 2.242 -39.292 1.00 21.33 H new ATOM 0 HB2 LYS A 17 21.812 4.513 -39.469 1.00 15.45 H new ATOM 0 HB3 LYS A 17 20.136 4.472 -39.978 1.00 15.45 H new ATOM 0 HG2 LYS A 17 19.386 5.644 -38.093 1.00 4.04 H new ATOM 0 HG3 LYS A 17 20.776 5.194 -37.126 1.00 4.04 H new ATOM 0 HD2 LYS A 17 21.051 6.960 -39.580 1.00 31.31 H new ATOM 0 HD3 LYS A 17 20.656 7.627 -38.008 1.00 31.31 H new ATOM 0 HE2 LYS A 17 22.721 6.746 -37.045 1.00 4.43 H new ATOM 0 HE3 LYS A 17 23.089 5.872 -38.518 1.00 4.43 H new ATOM 0 HZ1 LYS A 17 24.345 7.922 -38.380 1.00 5.10 H new ATOM 0 HZ2 LYS A 17 23.273 7.987 -39.695 1.00 5.10 H new ATOM 0 HZ3 LYS A 17 22.917 8.834 -38.268 1.00 5.10 H new ATOM 249 N VAL A 18 21.303 1.880 -36.460 1.00 73.45 N ATOM 250 CA VAL A 18 22.156 1.608 -35.310 1.00 21.20 C ATOM 251 C VAL A 18 23.509 1.057 -35.747 1.00 34.41 C ATOM 252 O VAL A 18 24.463 1.039 -34.970 1.00 13.42 O ATOM 253 CB VAL A 18 21.494 0.607 -34.344 1.00 41.11 C ATOM 254 CG1 VAL A 18 20.185 1.168 -33.809 1.00 22.51 C ATOM 255 CG2 VAL A 18 21.269 -0.730 -35.035 1.00 14.55 C ATOM 0 H VAL A 18 20.456 1.313 -36.500 1.00 73.45 H new ATOM 0 HA VAL A 18 22.303 2.557 -34.794 1.00 21.20 H new ATOM 0 HB VAL A 18 22.164 0.445 -33.499 1.00 41.11 H new ATOM 0 HG11 VAL A 18 19.731 0.447 -33.128 1.00 22.51 H new ATOM 0 HG12 VAL A 18 20.379 2.099 -33.276 1.00 22.51 H new ATOM 0 HG13 VAL A 18 19.505 1.360 -34.639 1.00 22.51 H new ATOM 0 HG21 VAL A 18 20.801 -1.425 -34.338 1.00 14.55 H new ATOM 0 HG22 VAL A 18 20.619 -0.588 -35.898 1.00 14.55 H new ATOM 0 HG23 VAL A 18 22.226 -1.135 -35.364 1.00 14.55 H new ATOM 265 N GLN A 19 23.583 0.608 -36.996 1.00 20.43 N ATOM 266 CA GLN A 19 24.820 0.055 -37.536 1.00 13.30 C ATOM 267 C GLN A 19 25.948 1.079 -37.469 1.00 51.44 C ATOM 268 O GLN A 19 27.125 0.722 -37.468 1.00 60.23 O ATOM 269 CB GLN A 19 24.611 -0.398 -38.982 1.00 24.42 C ATOM 270 CG GLN A 19 23.919 0.639 -39.851 1.00 62.33 C ATOM 271 CD GLN A 19 24.342 0.558 -41.305 1.00 22.12 C ATOM 272 OE1 GLN A 19 25.397 0.010 -41.627 1.00 33.21 O ATOM 273 NE2 GLN A 19 23.520 1.105 -42.192 1.00 74.23 N ATOM 0 H GLN A 19 22.802 0.616 -37.652 1.00 20.43 H new ATOM 0 HA GLN A 19 25.100 -0.806 -36.930 1.00 13.30 H new ATOM 0 HB2 GLN A 19 25.579 -0.640 -39.421 1.00 24.42 H new ATOM 0 HB3 GLN A 19 24.021 -1.314 -38.985 1.00 24.42 H new ATOM 0 HG2 GLN A 19 22.840 0.503 -39.782 1.00 62.33 H new ATOM 0 HG3 GLN A 19 24.140 1.635 -39.467 1.00 62.33 H new ATOM 0 HE21 GLN A 19 22.656 1.549 -41.881 1.00 74.23 H new ATOM 0 HE22 GLN A 19 23.752 1.082 -43.185 1.00 74.23 H new ATOM 282 N GLY A 20 25.580 2.356 -37.414 1.00 73.13 N ATOM 283 CA GLY A 20 26.573 3.412 -37.349 1.00 14.21 C ATOM 284 C GLY A 20 26.364 4.331 -36.161 1.00 43.05 C ATOM 285 O GLY A 20 25.964 5.484 -36.322 1.00 44.21 O ATOM 0 H GLY A 20 24.612 2.677 -37.413 1.00 73.13 H new ATOM 0 HA2 GLY A 20 27.567 2.969 -37.291 1.00 14.21 H new ATOM 0 HA3 GLY A 20 26.538 3.997 -38.268 1.00 14.21 H new ATOM 289 N VAL A 21 26.634 3.819 -34.965 1.00 3.43 N ATOM 290 CA VAL A 21 26.474 4.602 -33.745 1.00 34.32 C ATOM 291 C VAL A 21 26.954 3.823 -32.525 1.00 51.13 C ATOM 292 O VAL A 21 26.879 2.595 -32.491 1.00 31.44 O ATOM 293 CB VAL A 21 25.005 5.013 -33.532 1.00 12.45 C ATOM 294 CG1 VAL A 21 24.149 3.796 -33.218 1.00 72.34 C ATOM 295 CG2 VAL A 21 24.898 6.050 -32.423 1.00 70.21 C ATOM 0 H VAL A 21 26.964 2.866 -34.814 1.00 3.43 H new ATOM 0 HA VAL A 21 27.082 5.499 -33.862 1.00 34.32 H new ATOM 0 HB VAL A 21 24.634 5.460 -34.454 1.00 12.45 H new ATOM 0 HG11 VAL A 21 23.115 4.107 -33.071 1.00 72.34 H new ATOM 0 HG12 VAL A 21 24.201 3.091 -34.047 1.00 72.34 H new ATOM 0 HG13 VAL A 21 24.517 3.317 -32.310 1.00 72.34 H new ATOM 0 HG21 VAL A 21 23.853 6.329 -32.286 1.00 70.21 H new ATOM 0 HG22 VAL A 21 25.287 5.631 -31.495 1.00 70.21 H new ATOM 0 HG23 VAL A 21 25.477 6.933 -32.693 1.00 70.21 H new ATOM 305 N PHE A 22 27.447 4.546 -31.525 1.00 64.14 N ATOM 306 CA PHE A 22 27.941 3.923 -30.303 1.00 10.03 C ATOM 307 C PHE A 22 26.945 4.102 -29.161 1.00 1.44 C ATOM 308 O PHE A 22 27.333 4.249 -28.001 1.00 53.43 O ATOM 309 CB PHE A 22 29.295 4.519 -29.912 1.00 51.21 C ATOM 310 CG PHE A 22 29.282 6.017 -29.805 1.00 13.32 C ATOM 311 CD1 PHE A 22 29.566 6.807 -30.908 1.00 33.53 C ATOM 312 CD2 PHE A 22 28.985 6.636 -28.601 1.00 51.33 C ATOM 313 CE1 PHE A 22 29.555 8.185 -30.811 1.00 40.23 C ATOM 314 CE2 PHE A 22 28.972 8.015 -28.499 1.00 62.30 C ATOM 315 CZ PHE A 22 29.257 8.790 -29.606 1.00 13.01 C ATOM 0 H PHE A 22 27.515 5.564 -31.537 1.00 64.14 H new ATOM 0 HA PHE A 22 28.063 2.856 -30.492 1.00 10.03 H new ATOM 0 HB2 PHE A 22 29.606 4.097 -28.956 1.00 51.21 H new ATOM 0 HB3 PHE A 22 30.040 4.222 -30.650 1.00 51.21 H new ATOM 0 HD1 PHE A 22 29.798 6.340 -31.854 1.00 33.53 H new ATOM 0 HD2 PHE A 22 28.761 6.034 -27.732 1.00 51.33 H new ATOM 0 HE1 PHE A 22 29.779 8.789 -31.678 1.00 40.23 H new ATOM 0 HE2 PHE A 22 28.739 8.485 -27.555 1.00 62.30 H new ATOM 0 HZ PHE A 22 29.247 9.867 -29.529 1.00 13.01 H new ATOM 325 N PHE A 23 25.660 4.090 -29.497 1.00 75.21 N ATOM 326 CA PHE A 23 24.607 4.253 -28.501 1.00 71.51 C ATOM 327 C PHE A 23 24.673 3.145 -27.454 1.00 23.13 C ATOM 328 O PHE A 23 24.139 3.284 -26.353 1.00 73.54 O ATOM 329 CB PHE A 23 23.233 4.251 -29.175 1.00 2.00 C ATOM 330 CG PHE A 23 22.718 2.874 -29.484 1.00 5.23 C ATOM 331 CD1 PHE A 23 23.464 1.999 -30.258 1.00 14.14 C ATOM 332 CD2 PHE A 23 21.490 2.455 -29.000 1.00 31.24 C ATOM 333 CE1 PHE A 23 22.992 0.732 -30.544 1.00 32.03 C ATOM 334 CE2 PHE A 23 21.013 1.189 -29.282 1.00 60.42 C ATOM 335 CZ PHE A 23 21.766 0.326 -30.054 1.00 74.34 C ATOM 0 H PHE A 23 25.322 3.969 -30.452 1.00 75.21 H new ATOM 0 HA PHE A 23 24.758 5.210 -28.002 1.00 71.51 H new ATOM 0 HB2 PHE A 23 22.519 4.760 -28.528 1.00 2.00 H new ATOM 0 HB3 PHE A 23 23.290 4.825 -30.100 1.00 2.00 H new ATOM 0 HD1 PHE A 23 24.424 2.311 -30.642 1.00 14.14 H new ATOM 0 HD2 PHE A 23 20.898 3.126 -28.395 1.00 31.24 H new ATOM 0 HE1 PHE A 23 23.581 0.060 -31.150 1.00 32.03 H new ATOM 0 HE2 PHE A 23 20.053 0.875 -28.899 1.00 60.42 H new ATOM 0 HZ PHE A 23 21.397 -0.665 -30.274 1.00 74.34 H new ATOM 345 N ARG A 24 25.333 2.046 -27.805 1.00 34.43 N ATOM 346 CA ARG A 24 25.468 0.913 -26.897 1.00 12.14 C ATOM 347 C ARG A 24 25.991 1.366 -25.537 1.00 11.14 C ATOM 348 O ARG A 24 25.670 0.772 -24.507 1.00 4.54 O ATOM 349 CB ARG A 24 26.408 -0.137 -27.493 1.00 13.53 C ATOM 350 CG ARG A 24 26.041 -1.564 -27.120 1.00 5.20 C ATOM 351 CD ARG A 24 27.094 -2.552 -27.598 1.00 53.13 C ATOM 352 NE ARG A 24 27.445 -2.341 -29.000 1.00 25.20 N ATOM 353 CZ ARG A 24 28.561 -2.801 -29.555 1.00 23.12 C ATOM 354 NH1 ARG A 24 29.429 -3.494 -28.830 1.00 71.35 N ATOM 355 NH2 ARG A 24 28.811 -2.568 -30.837 1.00 71.31 N ATOM 0 H ARG A 24 25.782 1.916 -28.711 1.00 34.43 H new ATOM 0 HA ARG A 24 24.481 0.471 -26.759 1.00 12.14 H new ATOM 0 HB2 ARG A 24 26.404 -0.042 -28.579 1.00 13.53 H new ATOM 0 HB3 ARG A 24 27.425 0.067 -27.159 1.00 13.53 H new ATOM 0 HG2 ARG A 24 25.931 -1.642 -26.038 1.00 5.20 H new ATOM 0 HG3 ARG A 24 25.076 -1.819 -27.557 1.00 5.20 H new ATOM 0 HD2 ARG A 24 27.988 -2.456 -26.982 1.00 53.13 H new ATOM 0 HD3 ARG A 24 26.724 -3.569 -27.466 1.00 53.13 H new ATOM 0 HE ARG A 24 26.798 -1.812 -29.585 1.00 25.20 H new ATOM 0 HH11 ARG A 24 29.240 -3.675 -27.844 1.00 71.35 H new ATOM 0 HH12 ARG A 24 30.285 -3.846 -29.258 1.00 71.35 H new ATOM 0 HH21 ARG A 24 28.146 -2.035 -31.398 1.00 71.31 H new ATOM 0 HH22 ARG A 24 29.668 -2.922 -31.262 1.00 71.31 H new ATOM 369 N LYS A 25 26.798 2.421 -25.541 1.00 4.23 N ATOM 370 CA LYS A 25 27.366 2.955 -24.309 1.00 2.54 C ATOM 371 C LYS A 25 26.272 3.501 -23.397 1.00 13.20 C ATOM 372 O LYS A 25 26.332 3.348 -22.177 1.00 25.34 O ATOM 373 CB LYS A 25 28.378 4.059 -24.626 1.00 10.14 C ATOM 374 CG LYS A 25 29.203 4.491 -23.426 1.00 21.34 C ATOM 375 CD LYS A 25 28.656 5.763 -22.801 1.00 41.44 C ATOM 376 CE LYS A 25 29.294 7.002 -23.411 1.00 5.22 C ATOM 377 NZ LYS A 25 29.359 8.128 -22.439 1.00 12.34 N ATOM 0 H LYS A 25 27.074 2.924 -26.385 1.00 4.23 H new ATOM 0 HA LYS A 25 27.874 2.142 -23.791 1.00 2.54 H new ATOM 0 HB2 LYS A 25 29.049 3.711 -25.411 1.00 10.14 H new ATOM 0 HB3 LYS A 25 27.847 4.925 -25.022 1.00 10.14 H new ATOM 0 HG2 LYS A 25 29.211 3.694 -22.683 1.00 21.34 H new ATOM 0 HG3 LYS A 25 30.237 4.651 -23.733 1.00 21.34 H new ATOM 0 HD2 LYS A 25 27.576 5.803 -22.940 1.00 41.44 H new ATOM 0 HD3 LYS A 25 28.839 5.750 -21.727 1.00 41.44 H new ATOM 0 HE2 LYS A 25 30.300 6.761 -23.755 1.00 5.22 H new ATOM 0 HE3 LYS A 25 28.723 7.311 -24.287 1.00 5.22 H new ATOM 0 HZ1 LYS A 25 29.800 8.953 -22.893 1.00 12.34 H new ATOM 0 HZ2 LYS A 25 28.397 8.376 -22.130 1.00 12.34 H new ATOM 0 HZ3 LYS A 25 29.925 7.843 -21.615 1.00 12.34 H new ATOM 391 N HIS A 26 25.271 4.138 -23.997 1.00 32.20 N ATOM 392 CA HIS A 26 24.161 4.704 -23.239 1.00 2.45 C ATOM 393 C HIS A 26 23.068 3.664 -23.015 1.00 62.42 C ATOM 394 O HIS A 26 22.325 3.728 -22.035 1.00 51.13 O ATOM 395 CB HIS A 26 23.585 5.918 -23.968 1.00 15.22 C ATOM 396 CG HIS A 26 24.407 7.160 -23.807 1.00 72.34 C ATOM 397 ND1 HIS A 26 25.120 7.729 -24.841 1.00 54.13 N ATOM 398 CD2 HIS A 26 24.626 7.943 -22.725 1.00 72.13 C ATOM 399 CE1 HIS A 26 25.743 8.808 -24.402 1.00 20.32 C ATOM 400 NE2 HIS A 26 25.459 8.960 -23.121 1.00 24.13 N ATOM 0 H HIS A 26 25.206 4.275 -25.006 1.00 32.20 H new ATOM 0 HA HIS A 26 24.541 5.019 -22.267 1.00 2.45 H new ATOM 0 HB2 HIS A 26 23.497 5.686 -25.029 1.00 15.22 H new ATOM 0 HB3 HIS A 26 22.577 6.109 -23.599 1.00 15.22 H new ATOM 0 HD2 HIS A 26 24.221 7.795 -21.735 1.00 72.13 H new ATOM 0 HE1 HIS A 26 26.376 9.455 -24.990 1.00 20.32 H new ATOM 0 HE2 HIS A 26 25.803 9.711 -22.523 1.00 24.13 H new ATOM 408 N THR A 27 22.975 2.704 -23.931 1.00 51.40 N ATOM 409 CA THR A 27 21.972 1.651 -23.835 1.00 51.34 C ATOM 410 C THR A 27 22.137 0.850 -22.549 1.00 13.31 C ATOM 411 O THR A 27 21.166 0.599 -21.836 1.00 11.14 O ATOM 412 CB THR A 27 22.049 0.692 -25.038 1.00 33.53 C ATOM 413 OG1 THR A 27 21.823 1.412 -26.255 1.00 33.44 O ATOM 414 CG2 THR A 27 21.024 -0.425 -24.905 1.00 51.12 C ATOM 0 H THR A 27 23.582 2.635 -24.747 1.00 51.40 H new ATOM 0 HA THR A 27 20.998 2.141 -23.832 1.00 51.34 H new ATOM 0 HB THR A 27 23.045 0.250 -25.059 1.00 33.53 H new ATOM 0 HG1 THR A 27 22.531 2.078 -26.377 1.00 33.44 H new ATOM 0 HG21 THR A 27 21.097 -1.090 -25.766 1.00 51.12 H new ATOM 0 HG22 THR A 27 21.217 -0.990 -23.993 1.00 51.12 H new ATOM 0 HG23 THR A 27 20.023 0.003 -24.861 1.00 51.12 H new ATOM 422 N GLN A 28 23.371 0.453 -22.259 1.00 24.03 N ATOM 423 CA GLN A 28 23.662 -0.320 -21.057 1.00 0.00 C ATOM 424 C GLN A 28 23.260 0.450 -19.804 1.00 11.53 C ATOM 425 O GLN A 28 22.830 -0.139 -18.813 1.00 13.54 O ATOM 426 CB GLN A 28 25.150 -0.672 -20.999 1.00 14.55 C ATOM 427 CG GLN A 28 26.047 0.524 -20.724 1.00 10.24 C ATOM 428 CD GLN A 28 26.359 0.693 -19.250 1.00 1.13 C ATOM 429 OE1 GLN A 28 26.130 1.757 -18.673 1.00 24.43 O ATOM 430 NE2 GLN A 28 26.884 -0.358 -18.631 1.00 64.13 N ATOM 0 H GLN A 28 24.186 0.653 -22.839 1.00 24.03 H new ATOM 0 HA GLN A 28 23.080 -1.241 -21.098 1.00 0.00 H new ATOM 0 HB2 GLN A 28 25.308 -1.420 -20.222 1.00 14.55 H new ATOM 0 HB3 GLN A 28 25.445 -1.127 -21.945 1.00 14.55 H new ATOM 0 HG2 GLN A 28 26.979 0.409 -21.278 1.00 10.24 H new ATOM 0 HG3 GLN A 28 25.565 1.428 -21.095 1.00 10.24 H new ATOM 0 HE21 GLN A 28 27.057 -1.220 -19.148 1.00 64.13 H new ATOM 0 HE22 GLN A 28 27.114 -0.303 -17.639 1.00 64.13 H new ATOM 439 N ALA A 29 23.403 1.771 -19.855 1.00 63.32 N ATOM 440 CA ALA A 29 23.053 2.622 -18.725 1.00 25.22 C ATOM 441 C ALA A 29 21.542 2.682 -18.530 1.00 22.12 C ATOM 442 O ALA A 29 21.051 2.629 -17.403 1.00 74.01 O ATOM 443 CB ALA A 29 23.618 4.021 -18.923 1.00 20.22 C ATOM 0 H ALA A 29 23.759 2.274 -20.668 1.00 63.32 H new ATOM 0 HA ALA A 29 23.492 2.189 -17.826 1.00 25.22 H new ATOM 0 HB1 ALA A 29 23.349 4.646 -18.071 1.00 20.22 H new ATOM 0 HB2 ALA A 29 24.704 3.967 -19.005 1.00 20.22 H new ATOM 0 HB3 ALA A 29 23.207 4.454 -19.835 1.00 20.22 H new ATOM 449 N GLU A 30 20.812 2.793 -19.635 1.00 15.32 N ATOM 450 CA GLU A 30 19.356 2.862 -19.583 1.00 51.14 C ATOM 451 C GLU A 30 18.785 1.708 -18.765 1.00 21.41 C ATOM 452 O GLU A 30 17.908 1.902 -17.924 1.00 42.13 O ATOM 453 CB GLU A 30 18.772 2.837 -20.997 1.00 53.04 C ATOM 454 CG GLU A 30 18.066 4.125 -21.387 1.00 74.32 C ATOM 455 CD GLU A 30 19.017 5.300 -21.500 1.00 54.43 C ATOM 456 OE1 GLU A 30 19.607 5.482 -22.586 1.00 4.55 O ATOM 457 OE2 GLU A 30 19.170 6.038 -20.504 1.00 64.34 O ATOM 0 H GLU A 30 21.204 2.837 -20.576 1.00 15.32 H new ATOM 0 HA GLU A 30 19.079 3.799 -19.099 1.00 51.14 H new ATOM 0 HB2 GLU A 30 19.574 2.642 -21.709 1.00 53.04 H new ATOM 0 HB3 GLU A 30 18.068 2.009 -21.076 1.00 53.04 H new ATOM 0 HG2 GLU A 30 17.557 3.982 -22.340 1.00 74.32 H new ATOM 0 HG3 GLU A 30 17.299 4.353 -20.647 1.00 74.32 H new ATOM 464 N GLY A 31 19.290 0.504 -19.018 1.00 71.24 N ATOM 465 CA GLY A 31 18.819 -0.665 -18.298 1.00 53.23 C ATOM 466 C GLY A 31 19.005 -0.536 -16.799 1.00 60.34 C ATOM 467 O GLY A 31 18.173 -1.001 -16.020 1.00 72.23 O ATOM 0 H GLY A 31 20.017 0.317 -19.709 1.00 71.24 H new ATOM 0 HA2 GLY A 31 17.763 -0.822 -18.518 1.00 53.23 H new ATOM 0 HA3 GLY A 31 19.353 -1.546 -18.653 1.00 53.23 H new ATOM 471 N LYS A 32 20.101 0.095 -16.393 1.00 43.01 N ATOM 472 CA LYS A 32 20.396 0.284 -14.978 1.00 20.43 C ATOM 473 C LYS A 32 19.552 1.411 -14.392 1.00 31.24 C ATOM 474 O LYS A 32 19.280 1.437 -13.191 1.00 51.21 O ATOM 475 CB LYS A 32 21.882 0.590 -14.782 1.00 4.35 C ATOM 476 CG LYS A 32 22.804 -0.461 -15.375 1.00 31.55 C ATOM 477 CD LYS A 32 22.883 -1.696 -14.492 1.00 14.44 C ATOM 478 CE LYS A 32 23.772 -1.459 -13.281 1.00 3.01 C ATOM 479 NZ LYS A 32 23.744 -2.611 -12.338 1.00 63.53 N ATOM 0 H LYS A 32 20.801 0.485 -17.025 1.00 43.01 H new ATOM 0 HA LYS A 32 20.150 -0.640 -14.455 1.00 20.43 H new ATOM 0 HB2 LYS A 32 22.108 1.556 -15.234 1.00 4.35 H new ATOM 0 HB3 LYS A 32 22.088 0.681 -13.715 1.00 4.35 H new ATOM 0 HG2 LYS A 32 22.446 -0.743 -16.365 1.00 31.55 H new ATOM 0 HG3 LYS A 32 23.801 -0.040 -15.504 1.00 31.55 H new ATOM 0 HD2 LYS A 32 21.882 -1.973 -14.161 1.00 14.44 H new ATOM 0 HD3 LYS A 32 23.271 -2.534 -15.071 1.00 14.44 H new ATOM 0 HE2 LYS A 32 24.796 -1.285 -13.611 1.00 3.01 H new ATOM 0 HE3 LYS A 32 23.446 -0.557 -12.762 1.00 3.01 H new ATOM 0 HZ1 LYS A 32 23.985 -2.282 -11.381 1.00 63.53 H new ATOM 0 HZ2 LYS A 32 22.792 -3.031 -12.331 1.00 63.53 H new ATOM 0 HZ3 LYS A 32 24.435 -3.326 -12.643 1.00 63.53 H new ATOM 493 N LYS A 33 19.138 2.340 -15.246 1.00 45.15 N ATOM 494 CA LYS A 33 18.323 3.469 -14.815 1.00 34.21 C ATOM 495 C LYS A 33 16.943 3.001 -14.363 1.00 11.35 C ATOM 496 O LYS A 33 16.354 3.570 -13.442 1.00 43.21 O ATOM 497 CB LYS A 33 18.181 4.486 -15.949 1.00 44.05 C ATOM 498 CG LYS A 33 17.797 5.877 -15.475 1.00 63.12 C ATOM 499 CD LYS A 33 18.383 6.954 -16.373 1.00 71.22 C ATOM 500 CE LYS A 33 19.745 7.414 -15.876 1.00 54.21 C ATOM 501 NZ LYS A 33 20.850 6.598 -16.451 1.00 11.31 N ATOM 0 H LYS A 33 19.354 2.333 -16.243 1.00 45.15 H new ATOM 0 HA LYS A 33 18.823 3.944 -13.971 1.00 34.21 H new ATOM 0 HB2 LYS A 33 19.124 4.544 -16.493 1.00 44.05 H new ATOM 0 HB3 LYS A 33 17.428 4.130 -16.652 1.00 44.05 H new ATOM 0 HG2 LYS A 33 16.711 5.969 -15.456 1.00 63.12 H new ATOM 0 HG3 LYS A 33 18.147 6.024 -14.453 1.00 63.12 H new ATOM 0 HD2 LYS A 33 18.476 6.571 -17.389 1.00 71.22 H new ATOM 0 HD3 LYS A 33 17.703 7.805 -16.414 1.00 71.22 H new ATOM 0 HE2 LYS A 33 19.893 8.462 -16.139 1.00 54.21 H new ATOM 0 HE3 LYS A 33 19.775 7.351 -14.788 1.00 54.21 H new ATOM 0 HZ1 LYS A 33 21.752 7.101 -16.330 1.00 11.31 H new ATOM 0 HZ2 LYS A 33 20.896 5.682 -15.961 1.00 11.31 H new ATOM 0 HZ3 LYS A 33 20.674 6.440 -17.464 1.00 11.31 H new ATOM 515 N LEU A 34 16.433 1.962 -15.014 1.00 33.14 N ATOM 516 CA LEU A 34 15.122 1.417 -14.677 1.00 62.50 C ATOM 517 C LEU A 34 15.255 0.210 -13.754 1.00 23.24 C ATOM 518 O LEU A 34 14.649 0.164 -12.684 1.00 60.11 O ATOM 519 CB LEU A 34 14.371 1.019 -15.949 1.00 43.21 C ATOM 520 CG LEU A 34 13.540 2.120 -16.609 1.00 74.30 C ATOM 521 CD1 LEU A 34 12.920 1.617 -17.903 1.00 74.43 C ATOM 522 CD2 LEU A 34 12.462 2.617 -15.657 1.00 74.10 C ATOM 0 H LEU A 34 16.907 1.480 -15.778 1.00 33.14 H new ATOM 0 HA LEU A 34 14.558 2.190 -14.156 1.00 62.50 H new ATOM 0 HB2 LEU A 34 15.096 0.653 -16.676 1.00 43.21 H new ATOM 0 HB3 LEU A 34 13.710 0.185 -15.711 1.00 43.21 H new ATOM 0 HG LEU A 34 14.200 2.954 -16.847 1.00 74.30 H new ATOM 0 HD11 LEU A 34 12.332 2.414 -18.359 1.00 74.43 H new ATOM 0 HD12 LEU A 34 13.709 1.310 -18.589 1.00 74.43 H new ATOM 0 HD13 LEU A 34 12.273 0.766 -17.690 1.00 74.43 H new ATOM 0 HD21 LEU A 34 11.880 3.400 -16.143 1.00 74.10 H new ATOM 0 HD22 LEU A 34 11.804 1.790 -15.388 1.00 74.10 H new ATOM 0 HD23 LEU A 34 12.928 3.017 -14.757 1.00 74.10 H new ATOM 534 N GLY A 35 16.055 -0.766 -14.174 1.00 43.50 N ATOM 535 CA GLY A 35 16.255 -1.958 -13.372 1.00 64.41 C ATOM 536 C GLY A 35 16.122 -3.232 -14.184 1.00 14.35 C ATOM 537 O GLY A 35 15.601 -4.236 -13.696 1.00 11.22 O ATOM 0 H GLY A 35 16.568 -0.752 -15.056 1.00 43.50 H new ATOM 0 HA2 GLY A 35 17.244 -1.923 -12.915 1.00 64.41 H new ATOM 0 HA3 GLY A 35 15.529 -1.971 -12.559 1.00 64.41 H new ATOM 541 N LEU A 36 16.591 -3.192 -15.426 1.00 13.33 N ATOM 542 CA LEU A 36 16.520 -4.351 -16.308 1.00 74.21 C ATOM 543 C LEU A 36 17.916 -4.846 -16.671 1.00 2.12 C ATOM 544 O LEU A 36 18.903 -4.128 -16.508 1.00 15.52 O ATOM 545 CB LEU A 36 15.744 -4.003 -17.579 1.00 54.54 C ATOM 546 CG LEU A 36 14.370 -3.364 -17.373 1.00 53.32 C ATOM 547 CD1 LEU A 36 13.833 -2.817 -18.687 1.00 34.13 C ATOM 548 CD2 LEU A 36 13.398 -4.370 -16.775 1.00 72.30 C ATOM 0 H LEU A 36 17.025 -2.369 -15.845 1.00 13.33 H new ATOM 0 HA LEU A 36 15.998 -5.148 -15.778 1.00 74.21 H new ATOM 0 HB2 LEU A 36 16.352 -3.325 -18.178 1.00 54.54 H new ATOM 0 HB3 LEU A 36 15.615 -4.914 -18.163 1.00 54.54 H new ATOM 0 HG LEU A 36 14.478 -2.534 -16.675 1.00 53.32 H new ATOM 0 HD11 LEU A 36 12.855 -2.366 -18.521 1.00 34.13 H new ATOM 0 HD12 LEU A 36 14.519 -2.064 -19.075 1.00 34.13 H new ATOM 0 HD13 LEU A 36 13.740 -3.629 -19.408 1.00 34.13 H new ATOM 0 HD21 LEU A 36 12.426 -3.898 -16.635 1.00 72.30 H new ATOM 0 HD22 LEU A 36 13.295 -5.221 -17.448 1.00 72.30 H new ATOM 0 HD23 LEU A 36 13.776 -4.713 -15.812 1.00 72.30 H new ATOM 560 N VAL A 37 17.992 -6.077 -17.165 1.00 63.45 N ATOM 561 CA VAL A 37 19.267 -6.667 -17.555 1.00 24.42 C ATOM 562 C VAL A 37 19.156 -7.379 -18.898 1.00 62.33 C ATOM 563 O VAL A 37 18.107 -7.357 -19.540 1.00 14.42 O ATOM 564 CB VAL A 37 19.770 -7.667 -16.496 1.00 73.34 C ATOM 565 CG1 VAL A 37 19.869 -6.998 -15.134 1.00 70.11 C ATOM 566 CG2 VAL A 37 18.857 -8.883 -16.437 1.00 41.02 C ATOM 0 H VAL A 37 17.185 -6.686 -17.305 1.00 63.45 H new ATOM 0 HA VAL A 37 19.982 -5.848 -17.640 1.00 24.42 H new ATOM 0 HB VAL A 37 20.767 -8.002 -16.782 1.00 73.34 H new ATOM 0 HG11 VAL A 37 20.226 -7.720 -14.399 1.00 70.11 H new ATOM 0 HG12 VAL A 37 20.566 -6.162 -15.189 1.00 70.11 H new ATOM 0 HG13 VAL A 37 18.886 -6.632 -14.836 1.00 70.11 H new ATOM 0 HG21 VAL A 37 19.227 -9.579 -15.684 1.00 41.02 H new ATOM 0 HG22 VAL A 37 17.847 -8.567 -16.175 1.00 41.02 H new ATOM 0 HG23 VAL A 37 18.842 -9.375 -17.410 1.00 41.02 H new ATOM 576 N GLY A 38 20.247 -8.012 -19.319 1.00 23.52 N ATOM 577 CA GLY A 38 20.251 -8.723 -20.584 1.00 64.11 C ATOM 578 C GLY A 38 21.540 -8.525 -21.356 1.00 44.54 C ATOM 579 O GLY A 38 22.619 -8.871 -20.875 1.00 44.25 O ATOM 0 H GLY A 38 21.128 -8.045 -18.806 1.00 23.52 H new ATOM 0 HA2 GLY A 38 20.101 -9.787 -20.400 1.00 64.11 H new ATOM 0 HA3 GLY A 38 19.412 -8.383 -21.191 1.00 64.11 H new ATOM 583 N TRP A 39 21.429 -7.967 -22.557 1.00 31.53 N ATOM 584 CA TRP A 39 22.595 -7.725 -23.398 1.00 64.21 C ATOM 585 C TRP A 39 22.214 -6.931 -24.642 1.00 52.51 C ATOM 586 O TRP A 39 21.073 -6.988 -25.102 1.00 22.13 O ATOM 587 CB TRP A 39 23.242 -9.051 -23.803 1.00 51.11 C ATOM 588 CG TRP A 39 22.426 -9.833 -24.787 1.00 60.51 C ATOM 589 CD1 TRP A 39 22.384 -9.657 -26.141 1.00 21.22 C ATOM 590 CD2 TRP A 39 21.534 -10.914 -24.493 1.00 53.13 C ATOM 591 NE1 TRP A 39 21.519 -10.563 -26.706 1.00 63.12 N ATOM 592 CE2 TRP A 39 20.986 -11.346 -25.717 1.00 15.11 C ATOM 593 CE3 TRP A 39 21.146 -11.560 -23.316 1.00 41.23 C ATOM 594 CZ2 TRP A 39 20.070 -12.392 -25.794 1.00 65.40 C ATOM 595 CZ3 TRP A 39 20.238 -12.598 -23.395 1.00 34.15 C ATOM 596 CH2 TRP A 39 19.709 -13.007 -24.626 1.00 54.20 C ATOM 0 H TRP A 39 20.543 -7.674 -22.970 1.00 31.53 H new ATOM 0 HA TRP A 39 23.312 -7.140 -22.822 1.00 64.21 H new ATOM 0 HB2 TRP A 39 24.224 -8.852 -24.233 1.00 51.11 H new ATOM 0 HB3 TRP A 39 23.401 -9.657 -22.911 1.00 51.11 H new ATOM 0 HD1 TRP A 39 22.948 -8.915 -26.687 1.00 21.22 H new ATOM 0 HE1 TRP A 39 21.308 -10.640 -27.701 1.00 63.12 H new ATOM 0 HE3 TRP A 39 21.549 -11.253 -22.362 1.00 41.23 H new ATOM 0 HZ2 TRP A 39 19.659 -12.707 -26.742 1.00 65.40 H new ATOM 0 HZ3 TRP A 39 19.930 -13.103 -22.491 1.00 34.15 H new ATOM 0 HH2 TRP A 39 19.003 -13.823 -24.654 1.00 54.20 H new ATOM 607 N VAL A 40 23.175 -6.189 -25.183 1.00 40.14 N ATOM 608 CA VAL A 40 22.939 -5.383 -26.376 1.00 24.43 C ATOM 609 C VAL A 40 24.139 -5.428 -27.315 1.00 5.42 C ATOM 610 O VAL A 40 25.282 -5.267 -26.885 1.00 75.23 O ATOM 611 CB VAL A 40 22.640 -3.917 -26.012 1.00 75.01 C ATOM 612 CG1 VAL A 40 23.779 -3.325 -25.197 1.00 30.24 C ATOM 613 CG2 VAL A 40 22.391 -3.097 -27.269 1.00 74.11 C ATOM 0 H VAL A 40 24.124 -6.129 -24.815 1.00 40.14 H new ATOM 0 HA VAL A 40 22.071 -5.809 -26.880 1.00 24.43 H new ATOM 0 HB VAL A 40 21.737 -3.890 -25.402 1.00 75.01 H new ATOM 0 HG11 VAL A 40 23.549 -2.289 -24.950 1.00 30.24 H new ATOM 0 HG12 VAL A 40 23.905 -3.898 -24.278 1.00 30.24 H new ATOM 0 HG13 VAL A 40 24.700 -3.363 -25.778 1.00 30.24 H new ATOM 0 HG21 VAL A 40 22.181 -2.063 -26.994 1.00 74.11 H new ATOM 0 HG22 VAL A 40 23.275 -3.131 -27.906 1.00 74.11 H new ATOM 0 HG23 VAL A 40 21.538 -3.509 -27.809 1.00 74.11 H new ATOM 623 N GLN A 41 23.872 -5.646 -28.598 1.00 51.43 N ATOM 624 CA GLN A 41 24.931 -5.711 -29.598 1.00 52.15 C ATOM 625 C GLN A 41 24.471 -5.101 -30.918 1.00 43.45 C ATOM 626 O GLN A 41 23.333 -5.298 -31.342 1.00 1.25 O ATOM 627 CB GLN A 41 25.366 -7.161 -29.817 1.00 72.05 C ATOM 628 CG GLN A 41 26.484 -7.314 -30.835 1.00 43.45 C ATOM 629 CD GLN A 41 27.848 -6.991 -30.257 1.00 30.21 C ATOM 630 OE1 GLN A 41 28.404 -7.767 -29.479 1.00 0.33 O ATOM 631 NE2 GLN A 41 28.395 -5.842 -30.635 1.00 1.10 N ATOM 0 H GLN A 41 22.932 -5.781 -28.970 1.00 51.43 H new ATOM 0 HA GLN A 41 25.780 -5.136 -29.229 1.00 52.15 H new ATOM 0 HB2 GLN A 41 25.692 -7.581 -28.866 1.00 72.05 H new ATOM 0 HB3 GLN A 41 24.505 -7.744 -30.145 1.00 72.05 H new ATOM 0 HG2 GLN A 41 26.487 -8.336 -31.215 1.00 43.45 H new ATOM 0 HG3 GLN A 41 26.289 -6.659 -31.684 1.00 43.45 H new ATOM 0 HE21 GLN A 41 27.899 -5.229 -31.282 1.00 1.10 H new ATOM 0 HE22 GLN A 41 29.312 -5.572 -30.279 1.00 1.10 H new ATOM 640 N ASN A 42 25.365 -4.358 -31.564 1.00 73.23 N ATOM 641 CA ASN A 42 25.050 -3.718 -32.836 1.00 42.13 C ATOM 642 C ASN A 42 25.507 -4.582 -34.008 1.00 2.32 C ATOM 643 O ASN A 42 26.660 -4.508 -34.436 1.00 74.41 O ATOM 644 CB ASN A 42 25.712 -2.341 -32.915 1.00 53.51 C ATOM 645 CG ASN A 42 25.540 -1.694 -34.276 1.00 43.20 C ATOM 646 OD1 ASN A 42 24.557 -1.942 -34.974 1.00 50.20 O ATOM 647 ND2 ASN A 42 26.500 -0.860 -34.660 1.00 13.45 N ATOM 0 H ASN A 42 26.312 -4.185 -31.228 1.00 73.23 H new ATOM 0 HA ASN A 42 23.968 -3.598 -32.896 1.00 42.13 H new ATOM 0 HB2 ASN A 42 25.286 -1.692 -32.150 1.00 53.51 H new ATOM 0 HB3 ASN A 42 26.775 -2.439 -32.694 1.00 53.51 H new ATOM 0 HD21 ASN A 42 26.440 -0.396 -35.566 1.00 13.45 H new ATOM 0 HD22 ASN A 42 27.297 -0.684 -34.049 1.00 13.45 H new ATOM 654 N THR A 43 24.596 -5.401 -34.523 1.00 54.44 N ATOM 655 CA THR A 43 24.904 -6.279 -35.645 1.00 1.03 C ATOM 656 C THR A 43 25.449 -5.488 -36.829 1.00 32.42 C ATOM 657 O THR A 43 25.494 -4.258 -36.798 1.00 71.52 O ATOM 658 CB THR A 43 23.662 -7.069 -36.098 1.00 30.45 C ATOM 659 OG1 THR A 43 22.647 -6.168 -36.554 1.00 64.13 O ATOM 660 CG2 THR A 43 23.117 -7.920 -34.960 1.00 3.32 C ATOM 0 H THR A 43 23.638 -5.475 -34.181 1.00 54.44 H new ATOM 0 HA THR A 43 25.664 -6.979 -35.299 1.00 1.03 H new ATOM 0 HB THR A 43 23.956 -7.728 -36.915 1.00 30.45 H new ATOM 0 HG1 THR A 43 22.411 -5.549 -35.832 1.00 64.13 H new ATOM 0 HG21 THR A 43 22.240 -8.469 -35.304 1.00 3.32 H new ATOM 0 HG22 THR A 43 23.882 -8.625 -34.634 1.00 3.32 H new ATOM 0 HG23 THR A 43 22.838 -7.276 -34.126 1.00 3.32 H new ATOM 668 N ASP A 44 25.861 -6.202 -37.871 1.00 53.41 N ATOM 669 CA ASP A 44 26.401 -5.566 -39.067 1.00 50.21 C ATOM 670 C ASP A 44 25.299 -5.308 -40.090 1.00 63.45 C ATOM 671 O ASP A 44 25.367 -4.352 -40.863 1.00 1.03 O ATOM 672 CB ASP A 44 27.494 -6.439 -39.685 1.00 3.20 C ATOM 673 CG ASP A 44 28.050 -5.850 -40.967 1.00 73.30 C ATOM 674 OD1 ASP A 44 28.083 -4.608 -41.083 1.00 4.51 O ATOM 675 OD2 ASP A 44 28.450 -6.632 -41.855 1.00 32.42 O ATOM 0 H ASP A 44 25.831 -7.221 -37.912 1.00 53.41 H new ATOM 0 HA ASP A 44 26.833 -4.608 -38.776 1.00 50.21 H new ATOM 0 HB2 ASP A 44 28.303 -6.566 -38.966 1.00 3.20 H new ATOM 0 HB3 ASP A 44 27.091 -7.431 -39.889 1.00 3.20 H new ATOM 680 N ARG A 45 24.286 -6.169 -40.091 1.00 3.41 N ATOM 681 CA ARG A 45 23.171 -6.036 -41.021 1.00 4.42 C ATOM 682 C ARG A 45 22.454 -4.704 -40.823 1.00 1.54 C ATOM 683 O ARG A 45 22.077 -4.040 -41.788 1.00 21.14 O ATOM 684 CB ARG A 45 22.185 -7.190 -40.837 1.00 22.54 C ATOM 685 CG ARG A 45 22.754 -8.545 -41.226 1.00 71.14 C ATOM 686 CD ARG A 45 21.739 -9.658 -41.013 1.00 5.45 C ATOM 687 NE ARG A 45 22.372 -10.973 -40.967 1.00 75.44 N ATOM 688 CZ ARG A 45 23.142 -11.385 -39.966 1.00 52.34 C ATOM 689 NH1 ARG A 45 23.374 -10.587 -38.933 1.00 33.10 N ATOM 690 NH2 ARG A 45 23.682 -12.596 -39.998 1.00 35.53 N ATOM 0 H ARG A 45 24.215 -6.966 -39.458 1.00 3.41 H new ATOM 0 HA ARG A 45 23.571 -6.067 -42.035 1.00 4.42 H new ATOM 0 HB2 ARG A 45 21.869 -7.224 -39.794 1.00 22.54 H new ATOM 0 HB3 ARG A 45 21.294 -6.994 -41.434 1.00 22.54 H new ATOM 0 HG2 ARG A 45 23.060 -8.526 -42.272 1.00 71.14 H new ATOM 0 HG3 ARG A 45 23.648 -8.748 -40.636 1.00 71.14 H new ATOM 0 HD2 ARG A 45 21.199 -9.483 -40.083 1.00 5.45 H new ATOM 0 HD3 ARG A 45 21.004 -9.637 -41.817 1.00 5.45 H new ATOM 0 HE ARG A 45 22.214 -11.611 -41.747 1.00 75.44 H new ATOM 0 HH11 ARG A 45 22.961 -9.655 -38.906 1.00 33.10 H new ATOM 0 HH12 ARG A 45 23.966 -10.905 -38.165 1.00 33.10 H new ATOM 0 HH21 ARG A 45 23.506 -13.212 -40.792 1.00 35.53 H new ATOM 0 HH22 ARG A 45 24.273 -12.911 -39.229 1.00 35.53 H new ATOM 704 N GLY A 46 22.268 -4.319 -39.563 1.00 44.44 N ATOM 705 CA GLY A 46 21.596 -3.068 -39.261 1.00 64.43 C ATOM 706 C GLY A 46 20.490 -3.237 -38.239 1.00 71.11 C ATOM 707 O GLY A 46 19.377 -2.746 -38.430 1.00 72.21 O ATOM 0 H GLY A 46 22.571 -4.851 -38.747 1.00 44.44 H new ATOM 0 HA2 GLY A 46 22.325 -2.348 -38.888 1.00 64.43 H new ATOM 0 HA3 GLY A 46 21.179 -2.652 -40.178 1.00 64.43 H new ATOM 711 N THR A 47 20.794 -3.935 -37.149 1.00 63.44 N ATOM 712 CA THR A 47 19.817 -4.171 -36.094 1.00 53.54 C ATOM 713 C THR A 47 20.492 -4.274 -34.732 1.00 24.31 C ATOM 714 O THR A 47 21.715 -4.388 -34.641 1.00 11.40 O ATOM 715 CB THR A 47 19.009 -5.456 -36.353 1.00 71.24 C ATOM 716 OG1 THR A 47 19.874 -6.596 -36.309 1.00 25.01 O ATOM 717 CG2 THR A 47 18.312 -5.395 -37.704 1.00 42.44 C ATOM 0 H THR A 47 21.711 -4.347 -36.974 1.00 63.44 H new ATOM 0 HA THR A 47 19.138 -3.318 -36.096 1.00 53.54 H new ATOM 0 HB THR A 47 18.251 -5.544 -35.575 1.00 71.24 H new ATOM 0 HG1 THR A 47 20.802 -6.308 -36.439 1.00 25.01 H new ATOM 0 HG21 THR A 47 17.748 -6.314 -37.864 1.00 42.44 H new ATOM 0 HG22 THR A 47 17.632 -4.543 -37.724 1.00 42.44 H new ATOM 0 HG23 THR A 47 19.056 -5.284 -38.493 1.00 42.44 H new ATOM 725 N VAL A 48 19.689 -4.236 -33.674 1.00 1.44 N ATOM 726 CA VAL A 48 20.210 -4.327 -32.315 1.00 33.32 C ATOM 727 C VAL A 48 19.697 -5.580 -31.613 1.00 62.12 C ATOM 728 O VAL A 48 18.577 -5.603 -31.104 1.00 60.22 O ATOM 729 CB VAL A 48 19.824 -3.091 -31.481 1.00 74.12 C ATOM 730 CG1 VAL A 48 20.533 -3.111 -30.136 1.00 21.11 C ATOM 731 CG2 VAL A 48 20.144 -1.814 -32.243 1.00 52.02 C ATOM 0 H VAL A 48 18.675 -4.143 -33.731 1.00 1.44 H new ATOM 0 HA VAL A 48 21.296 -4.377 -32.395 1.00 33.32 H new ATOM 0 HB VAL A 48 18.750 -3.119 -31.298 1.00 74.12 H new ATOM 0 HG11 VAL A 48 20.248 -2.230 -29.561 1.00 21.11 H new ATOM 0 HG12 VAL A 48 20.249 -4.009 -29.588 1.00 21.11 H new ATOM 0 HG13 VAL A 48 21.612 -3.108 -30.293 1.00 21.11 H new ATOM 0 HG21 VAL A 48 19.865 -0.950 -31.639 1.00 52.02 H new ATOM 0 HG22 VAL A 48 21.212 -1.777 -32.458 1.00 52.02 H new ATOM 0 HG23 VAL A 48 19.585 -1.799 -33.178 1.00 52.02 H new ATOM 741 N GLN A 49 20.525 -6.619 -31.590 1.00 62.54 N ATOM 742 CA GLN A 49 20.155 -7.877 -30.951 1.00 11.51 C ATOM 743 C GLN A 49 20.222 -7.755 -29.432 1.00 61.11 C ATOM 744 O GLN A 49 21.291 -7.878 -28.836 1.00 63.12 O ATOM 745 CB GLN A 49 21.073 -9.004 -31.425 1.00 61.34 C ATOM 746 CG GLN A 49 20.603 -9.672 -32.707 1.00 64.55 C ATOM 747 CD GLN A 49 21.276 -11.009 -32.949 1.00 63.22 C ATOM 748 OE1 GLN A 49 22.250 -11.101 -33.697 1.00 40.24 O ATOM 749 NE2 GLN A 49 20.760 -12.056 -32.315 1.00 52.55 N ATOM 0 H GLN A 49 21.456 -6.615 -32.006 1.00 62.54 H new ATOM 0 HA GLN A 49 19.129 -8.112 -31.234 1.00 11.51 H new ATOM 0 HB2 GLN A 49 22.075 -8.604 -31.580 1.00 61.34 H new ATOM 0 HB3 GLN A 49 21.147 -9.756 -30.639 1.00 61.34 H new ATOM 0 HG2 GLN A 49 19.523 -9.816 -32.663 1.00 64.55 H new ATOM 0 HG3 GLN A 49 20.802 -9.011 -33.551 1.00 64.55 H new ATOM 0 HE21 GLN A 49 19.952 -11.935 -31.704 1.00 52.55 H new ATOM 0 HE22 GLN A 49 21.172 -12.981 -32.439 1.00 52.55 H new ATOM 758 N GLY A 50 19.072 -7.512 -28.811 1.00 74.31 N ATOM 759 CA GLY A 50 19.022 -7.378 -27.367 1.00 42.20 C ATOM 760 C GLY A 50 17.648 -7.680 -26.803 1.00 52.33 C ATOM 761 O GLY A 50 16.677 -7.808 -27.549 1.00 72.42 O ATOM 0 H GLY A 50 18.174 -7.406 -29.282 1.00 74.31 H new ATOM 0 HA2 GLY A 50 19.752 -8.051 -26.917 1.00 42.20 H new ATOM 0 HA3 GLY A 50 19.310 -6.364 -27.089 1.00 42.20 H new ATOM 765 N LYS A 51 17.564 -7.795 -25.482 1.00 42.13 N ATOM 766 CA LYS A 51 16.299 -8.084 -24.818 1.00 21.24 C ATOM 767 C LYS A 51 16.082 -7.151 -23.631 1.00 1.22 C ATOM 768 O LYS A 51 16.821 -6.183 -23.446 1.00 52.43 O ATOM 769 CB LYS A 51 16.268 -9.540 -24.347 1.00 72.22 C ATOM 770 CG LYS A 51 17.093 -9.793 -23.097 1.00 73.43 C ATOM 771 CD LYS A 51 17.126 -11.270 -22.741 1.00 33.14 C ATOM 772 CE LYS A 51 15.727 -11.816 -22.497 1.00 60.02 C ATOM 773 NZ LYS A 51 15.035 -11.095 -21.393 1.00 74.23 N ATOM 0 H LYS A 51 18.358 -7.692 -24.850 1.00 42.13 H new ATOM 0 HA LYS A 51 15.495 -7.923 -25.536 1.00 21.24 H new ATOM 0 HB2 LYS A 51 15.235 -9.829 -24.155 1.00 72.22 H new ATOM 0 HB3 LYS A 51 16.634 -10.180 -25.149 1.00 72.22 H new ATOM 0 HG2 LYS A 51 18.110 -9.432 -23.252 1.00 73.43 H new ATOM 0 HG3 LYS A 51 16.677 -9.226 -22.264 1.00 73.43 H new ATOM 0 HD2 LYS A 51 17.600 -11.829 -23.547 1.00 33.14 H new ATOM 0 HD3 LYS A 51 17.736 -11.417 -21.850 1.00 33.14 H new ATOM 0 HE2 LYS A 51 15.139 -11.731 -23.411 1.00 60.02 H new ATOM 0 HE3 LYS A 51 15.788 -12.877 -22.255 1.00 60.02 H new ATOM 0 HZ1 LYS A 51 14.915 -11.735 -20.582 1.00 74.23 H new ATOM 0 HZ2 LYS A 51 15.604 -10.274 -21.105 1.00 74.23 H new ATOM 0 HZ3 LYS A 51 14.102 -10.772 -21.720 1.00 74.23 H new ATOM 787 N LEU A 52 15.066 -7.448 -22.828 1.00 62.23 N ATOM 788 CA LEU A 52 14.753 -6.636 -21.658 1.00 31.14 C ATOM 789 C LEU A 52 14.364 -7.515 -20.473 1.00 61.33 C ATOM 790 O LEU A 52 13.192 -7.593 -20.105 1.00 64.52 O ATOM 791 CB LEU A 52 13.619 -5.661 -21.977 1.00 54.15 C ATOM 792 CG LEU A 52 13.768 -4.859 -23.271 1.00 12.02 C ATOM 793 CD1 LEU A 52 12.511 -4.047 -23.543 1.00 43.41 C ATOM 794 CD2 LEU A 52 14.987 -3.951 -23.198 1.00 13.12 C ATOM 0 H LEU A 52 14.445 -8.245 -22.966 1.00 62.23 H new ATOM 0 HA LEU A 52 15.646 -6.071 -21.390 1.00 31.14 H new ATOM 0 HB2 LEU A 52 12.686 -6.223 -22.027 1.00 54.15 H new ATOM 0 HB3 LEU A 52 13.525 -4.960 -21.147 1.00 54.15 H new ATOM 0 HG LEU A 52 13.910 -5.558 -24.095 1.00 12.02 H new ATOM 0 HD11 LEU A 52 12.635 -3.483 -24.467 1.00 43.41 H new ATOM 0 HD12 LEU A 52 11.658 -4.719 -23.639 1.00 43.41 H new ATOM 0 HD13 LEU A 52 12.338 -3.357 -22.717 1.00 43.41 H new ATOM 0 HD21 LEU A 52 15.078 -3.388 -24.127 1.00 13.12 H new ATOM 0 HD22 LEU A 52 14.876 -3.259 -22.364 1.00 13.12 H new ATOM 0 HD23 LEU A 52 15.882 -4.555 -23.051 1.00 13.12 H new ATOM 806 N GLN A 53 15.355 -8.173 -19.880 1.00 44.24 N ATOM 807 CA GLN A 53 15.116 -9.045 -18.737 1.00 23.04 C ATOM 808 C GLN A 53 14.774 -8.231 -17.493 1.00 52.34 C ATOM 809 O GLN A 53 15.554 -7.385 -17.059 1.00 11.42 O ATOM 810 CB GLN A 53 16.344 -9.917 -18.468 1.00 3.54 C ATOM 811 CG GLN A 53 16.254 -10.712 -17.175 1.00 62.35 C ATOM 812 CD GLN A 53 17.166 -11.923 -17.171 1.00 64.21 C ATOM 813 OE1 GLN A 53 18.316 -11.847 -16.737 1.00 22.11 O ATOM 814 NE2 GLN A 53 16.657 -13.050 -17.655 1.00 44.14 N ATOM 0 H GLN A 53 16.331 -8.119 -20.172 1.00 44.24 H new ATOM 0 HA GLN A 53 14.268 -9.687 -18.974 1.00 23.04 H new ATOM 0 HB2 GLN A 53 16.479 -10.607 -19.301 1.00 3.54 H new ATOM 0 HB3 GLN A 53 17.230 -9.282 -18.434 1.00 3.54 H new ATOM 0 HG2 GLN A 53 16.511 -10.065 -16.336 1.00 62.35 H new ATOM 0 HG3 GLN A 53 15.225 -11.036 -17.023 1.00 62.35 H new ATOM 0 HE21 GLN A 53 15.699 -13.068 -18.004 1.00 44.14 H new ATOM 0 HE22 GLN A 53 17.224 -13.898 -17.677 1.00 44.14 H new ATOM 823 N GLY A 54 13.600 -8.492 -16.925 1.00 64.41 N ATOM 824 CA GLY A 54 13.175 -7.775 -15.738 1.00 30.05 C ATOM 825 C GLY A 54 11.666 -7.712 -15.608 1.00 21.04 C ATOM 826 O GLY A 54 10.930 -8.373 -16.341 1.00 24.34 O ATOM 0 H GLY A 54 12.936 -9.187 -17.266 1.00 64.41 H new ATOM 0 HA2 GLY A 54 13.593 -8.260 -14.856 1.00 30.05 H new ATOM 0 HA3 GLY A 54 13.577 -6.762 -15.766 1.00 30.05 H new ATOM 830 N PRO A 55 11.184 -6.902 -14.654 1.00 14.50 N ATOM 831 CA PRO A 55 9.748 -6.736 -14.407 1.00 61.42 C ATOM 832 C PRO A 55 9.048 -5.987 -15.536 1.00 4.43 C ATOM 833 O PRO A 55 9.636 -5.107 -16.167 1.00 33.42 O ATOM 834 CB PRO A 55 9.702 -5.919 -13.113 1.00 63.55 C ATOM 835 CG PRO A 55 10.996 -5.181 -13.086 1.00 54.40 C ATOM 836 CD PRO A 55 12.002 -6.083 -13.744 1.00 24.54 C ATOM 0 HA PRO A 55 9.233 -7.694 -14.340 1.00 61.42 H new ATOM 0 HB2 PRO A 55 8.855 -5.233 -13.107 1.00 63.55 H new ATOM 0 HB3 PRO A 55 9.596 -6.564 -12.241 1.00 63.55 H new ATOM 0 HG2 PRO A 55 10.915 -4.233 -13.618 1.00 54.40 H new ATOM 0 HG3 PRO A 55 11.291 -4.948 -12.063 1.00 54.40 H new ATOM 0 HD2 PRO A 55 12.758 -5.514 -14.286 1.00 24.54 H new ATOM 0 HD3 PRO A 55 12.528 -6.698 -13.014 1.00 24.54 H new ATOM 844 N ILE A 56 7.792 -6.339 -15.784 1.00 34.31 N ATOM 845 CA ILE A 56 7.012 -5.698 -16.835 1.00 42.05 C ATOM 846 C ILE A 56 6.812 -4.215 -16.544 1.00 52.43 C ATOM 847 O ILE A 56 6.762 -3.393 -17.460 1.00 30.05 O ATOM 848 CB ILE A 56 5.635 -6.367 -17.004 1.00 24.25 C ATOM 849 CG1 ILE A 56 5.802 -7.855 -17.321 1.00 3.25 C ATOM 850 CG2 ILE A 56 4.839 -5.673 -18.098 1.00 41.13 C ATOM 851 CD1 ILE A 56 4.529 -8.655 -17.154 1.00 42.43 C ATOM 0 H ILE A 56 7.292 -7.065 -15.271 1.00 34.31 H new ATOM 0 HA ILE A 56 7.577 -5.812 -17.760 1.00 42.05 H new ATOM 0 HB ILE A 56 5.085 -6.274 -16.068 1.00 24.25 H new ATOM 0 HG12 ILE A 56 6.157 -7.962 -18.346 1.00 3.25 H new ATOM 0 HG13 ILE A 56 6.572 -8.272 -16.672 1.00 3.25 H new ATOM 0 HG21 ILE A 56 3.869 -6.158 -18.205 1.00 41.13 H new ATOM 0 HG22 ILE A 56 4.694 -4.625 -17.834 1.00 41.13 H new ATOM 0 HG23 ILE A 56 5.383 -5.738 -19.040 1.00 41.13 H new ATOM 0 HD11 ILE A 56 4.722 -9.700 -17.395 1.00 42.43 H new ATOM 0 HD12 ILE A 56 4.184 -8.578 -16.123 1.00 42.43 H new ATOM 0 HD13 ILE A 56 3.763 -8.264 -17.823 1.00 42.43 H new ATOM 863 N SER A 57 6.699 -3.879 -15.263 1.00 42.42 N ATOM 864 CA SER A 57 6.502 -2.494 -14.851 1.00 3.14 C ATOM 865 C SER A 57 7.558 -1.586 -15.474 1.00 41.00 C ATOM 866 O SER A 57 7.297 -0.418 -15.763 1.00 44.13 O ATOM 867 CB SER A 57 6.553 -2.382 -13.326 1.00 1.23 C ATOM 868 OG SER A 57 7.792 -2.849 -12.821 1.00 2.30 O ATOM 0 H SER A 57 6.740 -4.546 -14.493 1.00 42.42 H new ATOM 0 HA SER A 57 5.520 -2.173 -15.200 1.00 3.14 H new ATOM 0 HB2 SER A 57 6.404 -1.344 -13.029 1.00 1.23 H new ATOM 0 HB3 SER A 57 5.738 -2.959 -12.889 1.00 1.23 H new ATOM 0 HG SER A 57 7.800 -2.765 -11.845 1.00 2.30 H new ATOM 874 N LYS A 58 8.752 -2.132 -15.679 1.00 2.55 N ATOM 875 CA LYS A 58 9.849 -1.374 -16.269 1.00 2.33 C ATOM 876 C LYS A 58 9.982 -1.679 -17.757 1.00 42.53 C ATOM 877 O LYS A 58 10.167 -0.775 -18.572 1.00 44.52 O ATOM 878 CB LYS A 58 11.162 -1.696 -15.552 1.00 5.10 C ATOM 879 CG LYS A 58 11.471 -0.759 -14.397 1.00 51.21 C ATOM 880 CD LYS A 58 10.668 -1.118 -13.158 1.00 3.11 C ATOM 881 CE LYS A 58 10.776 -0.038 -12.092 1.00 75.11 C ATOM 882 NZ LYS A 58 10.046 1.200 -12.482 1.00 44.40 N ATOM 0 H LYS A 58 8.985 -3.097 -15.445 1.00 2.55 H new ATOM 0 HA LYS A 58 9.629 -0.313 -16.152 1.00 2.33 H new ATOM 0 HB2 LYS A 58 11.120 -2.719 -15.178 1.00 5.10 H new ATOM 0 HB3 LYS A 58 11.979 -1.653 -16.272 1.00 5.10 H new ATOM 0 HG2 LYS A 58 12.536 -0.802 -14.167 1.00 51.21 H new ATOM 0 HG3 LYS A 58 11.250 0.267 -14.690 1.00 51.21 H new ATOM 0 HD2 LYS A 58 9.622 -1.260 -13.429 1.00 3.11 H new ATOM 0 HD3 LYS A 58 11.024 -2.066 -12.754 1.00 3.11 H new ATOM 0 HE2 LYS A 58 10.375 -0.415 -11.151 1.00 75.11 H new ATOM 0 HE3 LYS A 58 11.826 0.198 -11.919 1.00 75.11 H new ATOM 0 HZ1 LYS A 58 9.746 1.710 -11.627 1.00 44.40 H new ATOM 0 HZ2 LYS A 58 10.672 1.809 -13.046 1.00 44.40 H new ATOM 0 HZ3 LYS A 58 9.209 0.947 -13.046 1.00 44.40 H new ATOM 896 N VAL A 59 9.885 -2.958 -18.106 1.00 2.41 N ATOM 897 CA VAL A 59 9.992 -3.381 -19.497 1.00 21.21 C ATOM 898 C VAL A 59 9.011 -2.619 -20.380 1.00 73.13 C ATOM 899 O VAL A 59 9.311 -2.307 -21.533 1.00 14.43 O ATOM 900 CB VAL A 59 9.733 -4.892 -19.645 1.00 73.20 C ATOM 901 CG1 VAL A 59 9.819 -5.308 -21.106 1.00 35.24 C ATOM 902 CG2 VAL A 59 10.715 -5.687 -18.797 1.00 53.53 C ATOM 0 H VAL A 59 9.732 -3.719 -17.444 1.00 2.41 H new ATOM 0 HA VAL A 59 11.010 -3.161 -19.818 1.00 21.21 H new ATOM 0 HB VAL A 59 8.725 -5.107 -19.290 1.00 73.20 H new ATOM 0 HG11 VAL A 59 9.633 -6.379 -21.191 1.00 35.24 H new ATOM 0 HG12 VAL A 59 9.072 -4.763 -21.684 1.00 35.24 H new ATOM 0 HG13 VAL A 59 10.813 -5.080 -21.491 1.00 35.24 H new ATOM 0 HG21 VAL A 59 10.517 -6.752 -18.914 1.00 53.53 H new ATOM 0 HG22 VAL A 59 11.733 -5.469 -19.119 1.00 53.53 H new ATOM 0 HG23 VAL A 59 10.599 -5.409 -17.749 1.00 53.53 H new ATOM 912 N ARG A 60 7.837 -2.323 -19.832 1.00 51.41 N ATOM 913 CA ARG A 60 6.810 -1.597 -20.571 1.00 22.33 C ATOM 914 C ARG A 60 7.337 -0.248 -21.050 1.00 55.32 C ATOM 915 O ARG A 60 6.858 0.298 -22.044 1.00 61.30 O ATOM 916 CB ARG A 60 5.572 -1.392 -19.696 1.00 73.34 C ATOM 917 CG ARG A 60 4.745 -2.653 -19.506 1.00 72.44 C ATOM 918 CD ARG A 60 3.825 -2.900 -20.692 1.00 62.41 C ATOM 919 NE ARG A 60 2.798 -3.894 -20.391 1.00 25.33 N ATOM 920 CZ ARG A 60 1.742 -4.117 -21.164 1.00 71.33 C ATOM 921 NH1 ARG A 60 1.574 -3.421 -22.280 1.00 2.20 N ATOM 922 NH2 ARG A 60 0.851 -5.039 -20.823 1.00 33.13 N ATOM 0 H ARG A 60 7.573 -2.574 -18.879 1.00 51.41 H new ATOM 0 HA ARG A 60 6.536 -2.191 -21.443 1.00 22.33 H new ATOM 0 HB2 ARG A 60 5.885 -1.022 -18.720 1.00 73.34 H new ATOM 0 HB3 ARG A 60 4.945 -0.620 -20.143 1.00 73.34 H new ATOM 0 HG2 ARG A 60 5.408 -3.508 -19.374 1.00 72.44 H new ATOM 0 HG3 ARG A 60 4.152 -2.567 -18.596 1.00 72.44 H new ATOM 0 HD2 ARG A 60 3.349 -1.964 -20.982 1.00 62.41 H new ATOM 0 HD3 ARG A 60 4.415 -3.235 -21.545 1.00 62.41 H new ATOM 0 HE ARG A 60 2.898 -4.447 -19.540 1.00 25.33 H new ATOM 0 HH11 ARG A 60 2.257 -2.712 -22.547 1.00 2.20 H new ATOM 0 HH12 ARG A 60 0.762 -3.595 -22.872 1.00 2.20 H new ATOM 0 HH21 ARG A 60 0.977 -5.578 -19.966 1.00 33.13 H new ATOM 0 HH22 ARG A 60 0.040 -5.209 -21.418 1.00 33.13 H new ATOM 936 N GLU A 61 8.323 0.285 -20.336 1.00 65.51 N ATOM 937 CA GLU A 61 8.913 1.571 -20.689 1.00 20.23 C ATOM 938 C GLU A 61 10.192 1.379 -21.498 1.00 45.21 C ATOM 939 O GLU A 61 10.586 2.251 -22.273 1.00 34.04 O ATOM 940 CB GLU A 61 9.212 2.383 -19.427 1.00 15.21 C ATOM 941 CG GLU A 61 8.077 2.376 -18.416 1.00 23.11 C ATOM 942 CD GLU A 61 6.832 3.071 -18.931 1.00 1.20 C ATOM 943 OE1 GLU A 61 6.248 2.584 -19.922 1.00 3.02 O ATOM 944 OE2 GLU A 61 6.442 4.102 -18.344 1.00 73.12 O ATOM 0 H GLU A 61 8.730 -0.153 -19.510 1.00 65.51 H new ATOM 0 HA GLU A 61 8.195 2.116 -21.302 1.00 20.23 H new ATOM 0 HB2 GLU A 61 10.111 1.987 -18.954 1.00 15.21 H new ATOM 0 HB3 GLU A 61 9.429 3.413 -19.711 1.00 15.21 H new ATOM 0 HG2 GLU A 61 7.833 1.346 -18.157 1.00 23.11 H new ATOM 0 HG3 GLU A 61 8.409 2.865 -17.500 1.00 23.11 H new ATOM 951 N MET A 62 10.837 0.232 -21.312 1.00 4.33 N ATOM 952 CA MET A 62 12.072 -0.074 -22.025 1.00 21.44 C ATOM 953 C MET A 62 11.777 -0.545 -23.445 1.00 50.34 C ATOM 954 O MET A 62 12.691 -0.744 -24.244 1.00 64.24 O ATOM 955 CB MET A 62 12.866 -1.146 -21.275 1.00 5.41 C ATOM 956 CG MET A 62 14.370 -1.030 -21.464 1.00 23.51 C ATOM 957 SD MET A 62 15.161 -0.060 -20.166 1.00 62.21 S ATOM 958 CE MET A 62 15.199 1.560 -20.930 1.00 22.51 C ATOM 0 H MET A 62 10.525 -0.500 -20.674 1.00 4.33 H new ATOM 0 HA MET A 62 12.667 0.838 -22.079 1.00 21.44 H new ATOM 0 HB2 MET A 62 12.635 -1.080 -20.212 1.00 5.41 H new ATOM 0 HB3 MET A 62 12.540 -2.130 -21.612 1.00 5.41 H new ATOM 0 HG2 MET A 62 14.808 -2.028 -21.484 1.00 23.51 H new ATOM 0 HG3 MET A 62 14.576 -0.572 -22.431 1.00 23.51 H new ATOM 0 HE1 MET A 62 15.884 2.205 -20.381 1.00 22.51 H new ATOM 0 HE2 MET A 62 15.536 1.468 -21.962 1.00 22.51 H new ATOM 0 HE3 MET A 62 14.199 1.994 -20.912 1.00 22.51 H new ATOM 968 N GLN A 63 10.496 -0.720 -23.752 1.00 14.11 N ATOM 969 CA GLN A 63 10.082 -1.168 -25.076 1.00 51.13 C ATOM 970 C GLN A 63 9.752 0.020 -25.974 1.00 60.23 C ATOM 971 O GLN A 63 9.913 -0.046 -27.193 1.00 50.12 O ATOM 972 CB GLN A 63 8.869 -2.094 -24.969 1.00 12.41 C ATOM 973 CG GLN A 63 7.720 -1.501 -24.169 1.00 3.14 C ATOM 974 CD GLN A 63 6.366 -1.804 -24.779 1.00 41.10 C ATOM 975 OE1 GLN A 63 5.531 -0.913 -24.939 1.00 61.23 O ATOM 976 NE2 GLN A 63 6.141 -3.066 -25.124 1.00 20.42 N ATOM 0 H GLN A 63 9.727 -0.558 -23.102 1.00 14.11 H new ATOM 0 HA GLN A 63 10.911 -1.718 -25.521 1.00 51.13 H new ATOM 0 HB2 GLN A 63 8.516 -2.335 -25.972 1.00 12.41 H new ATOM 0 HB3 GLN A 63 9.178 -3.031 -24.506 1.00 12.41 H new ATOM 0 HG2 GLN A 63 7.751 -1.891 -23.152 1.00 3.14 H new ATOM 0 HG3 GLN A 63 7.850 -0.421 -24.100 1.00 3.14 H new ATOM 0 HE21 GLN A 63 6.862 -3.772 -24.973 1.00 20.42 H new ATOM 0 HE22 GLN A 63 5.248 -3.330 -25.540 1.00 20.42 H new ATOM 985 N LYS A 64 9.289 1.106 -25.364 1.00 61.34 N ATOM 986 CA LYS A 64 8.937 2.310 -26.108 1.00 31.35 C ATOM 987 C LYS A 64 10.163 3.190 -26.329 1.00 55.34 C ATOM 988 O LYS A 64 10.202 3.991 -27.264 1.00 21.32 O ATOM 989 CB LYS A 64 7.858 3.098 -25.361 1.00 22.53 C ATOM 990 CG LYS A 64 7.658 4.507 -25.890 1.00 72.14 C ATOM 991 CD LYS A 64 8.501 5.515 -25.127 1.00 71.42 C ATOM 992 CE LYS A 64 7.750 6.819 -24.910 1.00 54.22 C ATOM 993 NZ LYS A 64 6.618 6.656 -23.956 1.00 70.51 N ATOM 0 H LYS A 64 9.149 1.177 -24.356 1.00 61.34 H new ATOM 0 HA LYS A 64 8.549 2.007 -27.080 1.00 31.35 H new ATOM 0 HB2 LYS A 64 6.914 2.557 -25.426 1.00 22.53 H new ATOM 0 HB3 LYS A 64 8.123 3.150 -24.305 1.00 22.53 H new ATOM 0 HG2 LYS A 64 7.919 4.540 -26.948 1.00 72.14 H new ATOM 0 HG3 LYS A 64 6.605 4.779 -25.813 1.00 72.14 H new ATOM 0 HD2 LYS A 64 8.789 5.095 -24.163 1.00 71.42 H new ATOM 0 HD3 LYS A 64 9.422 5.711 -25.677 1.00 71.42 H new ATOM 0 HE2 LYS A 64 8.438 7.575 -24.531 1.00 54.22 H new ATOM 0 HE3 LYS A 64 7.370 7.183 -25.865 1.00 54.22 H new ATOM 0 HZ1 LYS A 64 6.360 7.583 -23.561 1.00 70.51 H new ATOM 0 HZ2 LYS A 64 5.799 6.252 -24.454 1.00 70.51 H new ATOM 0 HZ3 LYS A 64 6.903 6.018 -23.185 1.00 70.51 H new ATOM 1007 N TRP A 65 11.160 3.036 -25.466 1.00 71.12 N ATOM 1008 CA TRP A 65 12.388 3.817 -25.570 1.00 34.44 C ATOM 1009 C TRP A 65 13.292 3.266 -26.666 1.00 63.23 C ATOM 1010 O TRP A 65 14.132 3.983 -27.211 1.00 5.45 O ATOM 1011 CB TRP A 65 13.130 3.818 -24.232 1.00 55.00 C ATOM 1012 CG TRP A 65 12.802 5.001 -23.372 1.00 41.34 C ATOM 1013 CD1 TRP A 65 11.582 5.322 -22.850 1.00 12.21 C ATOM 1014 CD2 TRP A 65 13.708 6.021 -22.938 1.00 13.45 C ATOM 1015 NE1 TRP A 65 11.674 6.480 -22.116 1.00 42.44 N ATOM 1016 CE2 TRP A 65 12.968 6.929 -22.154 1.00 21.42 C ATOM 1017 CE3 TRP A 65 15.072 6.256 -23.132 1.00 34.31 C ATOM 1018 CZ2 TRP A 65 13.548 8.050 -21.568 1.00 1.53 C ATOM 1019 CZ3 TRP A 65 15.646 7.370 -22.550 1.00 34.31 C ATOM 1020 CH2 TRP A 65 14.885 8.255 -21.775 1.00 1.42 C ATOM 0 H TRP A 65 11.143 2.378 -24.687 1.00 71.12 H new ATOM 0 HA TRP A 65 12.118 4.841 -25.829 1.00 34.44 H new ATOM 0 HB2 TRP A 65 12.887 2.905 -23.689 1.00 55.00 H new ATOM 0 HB3 TRP A 65 14.204 3.801 -24.420 1.00 55.00 H new ATOM 0 HD1 TRP A 65 10.677 4.750 -22.993 1.00 12.21 H new ATOM 0 HE1 TRP A 65 10.904 6.932 -21.623 1.00 42.44 H new ATOM 0 HE3 TRP A 65 15.667 5.579 -23.727 1.00 34.31 H new ATOM 0 HZ2 TRP A 65 12.963 8.734 -20.971 1.00 1.53 H new ATOM 0 HZ3 TRP A 65 16.699 7.562 -22.695 1.00 34.31 H new ATOM 0 HH2 TRP A 65 15.363 9.116 -21.332 1.00 1.42 H new ATOM 1031 N LEU A 66 13.116 1.989 -26.987 1.00 32.32 N ATOM 1032 CA LEU A 66 13.917 1.342 -28.020 1.00 71.50 C ATOM 1033 C LEU A 66 13.074 1.045 -29.256 1.00 63.14 C ATOM 1034 O LEU A 66 13.482 0.277 -30.127 1.00 31.53 O ATOM 1035 CB LEU A 66 14.528 0.046 -27.483 1.00 0.34 C ATOM 1036 CG LEU A 66 15.931 0.163 -26.886 1.00 41.11 C ATOM 1037 CD1 LEU A 66 16.192 -0.973 -25.909 1.00 42.13 C ATOM 1038 CD2 LEU A 66 16.980 0.173 -27.988 1.00 61.25 C ATOM 0 H LEU A 66 12.425 1.381 -26.547 1.00 32.32 H new ATOM 0 HA LEU A 66 14.718 2.024 -28.304 1.00 71.50 H new ATOM 0 HB2 LEU A 66 13.862 -0.357 -26.720 1.00 0.34 H new ATOM 0 HB3 LEU A 66 14.560 -0.681 -28.295 1.00 0.34 H new ATOM 0 HG LEU A 66 15.996 1.105 -26.341 1.00 41.11 H new ATOM 0 HD11 LEU A 66 17.195 -0.873 -25.494 1.00 42.13 H new ATOM 0 HD12 LEU A 66 15.460 -0.934 -25.102 1.00 42.13 H new ATOM 0 HD13 LEU A 66 16.108 -1.927 -26.429 1.00 42.13 H new ATOM 0 HD21 LEU A 66 17.972 0.257 -27.545 1.00 61.25 H new ATOM 0 HD22 LEU A 66 16.915 -0.752 -28.560 1.00 61.25 H new ATOM 0 HD23 LEU A 66 16.805 1.022 -28.649 1.00 61.25 H new ATOM 1050 N GLU A 67 11.898 1.661 -29.327 1.00 5.32 N ATOM 1051 CA GLU A 67 11.000 1.464 -30.458 1.00 33.41 C ATOM 1052 C GLU A 67 10.886 2.737 -31.291 1.00 73.23 C ATOM 1053 O GLU A 67 11.206 2.746 -32.481 1.00 33.45 O ATOM 1054 CB GLU A 67 9.615 1.036 -29.968 1.00 74.34 C ATOM 1055 CG GLU A 67 8.560 1.021 -31.062 1.00 62.45 C ATOM 1056 CD GLU A 67 7.286 0.318 -30.635 1.00 50.51 C ATOM 1057 OE1 GLU A 67 6.627 0.805 -29.693 1.00 2.24 O ATOM 1058 OE2 GLU A 67 6.948 -0.718 -31.244 1.00 72.20 O ATOM 0 H GLU A 67 11.545 2.300 -28.615 1.00 5.32 H new ATOM 0 HA GLU A 67 11.415 0.676 -31.086 1.00 33.41 H new ATOM 0 HB2 GLU A 67 9.686 0.041 -29.529 1.00 74.34 H new ATOM 0 HB3 GLU A 67 9.295 1.712 -29.175 1.00 74.34 H new ATOM 0 HG2 GLU A 67 8.326 2.046 -31.350 1.00 62.45 H new ATOM 0 HG3 GLU A 67 8.965 0.527 -31.945 1.00 62.45 H new ATOM 1065 N THR A 68 10.427 3.812 -30.659 1.00 14.24 N ATOM 1066 CA THR A 68 10.268 5.091 -31.340 1.00 61.53 C ATOM 1067 C THR A 68 11.328 6.089 -30.890 1.00 2.01 C ATOM 1068 O THR A 68 11.737 6.962 -31.655 1.00 52.52 O ATOM 1069 CB THR A 68 8.873 5.692 -31.089 1.00 14.22 C ATOM 1070 OG1 THR A 68 8.822 7.035 -31.583 1.00 11.33 O ATOM 1071 CG2 THR A 68 8.537 5.679 -29.605 1.00 41.11 C ATOM 0 H THR A 68 10.158 3.822 -29.675 1.00 14.24 H new ATOM 0 HA THR A 68 10.385 4.898 -32.406 1.00 61.53 H new ATOM 0 HB THR A 68 8.139 5.083 -31.617 1.00 14.22 H new ATOM 0 HG1 THR A 68 7.931 7.410 -31.421 1.00 11.33 H new ATOM 0 HG21 THR A 68 7.547 6.108 -29.452 1.00 41.11 H new ATOM 0 HG22 THR A 68 8.548 4.653 -29.238 1.00 41.11 H new ATOM 0 HG23 THR A 68 9.275 6.267 -29.060 1.00 41.11 H new ATOM 1079 N ARG A 69 11.770 5.954 -29.644 1.00 24.31 N ATOM 1080 CA ARG A 69 12.783 6.845 -29.092 1.00 4.03 C ATOM 1081 C ARG A 69 14.152 6.170 -29.078 1.00 10.41 C ATOM 1082 O ARG A 69 14.312 5.057 -29.576 1.00 53.14 O ATOM 1083 CB ARG A 69 12.399 7.272 -27.674 1.00 2.21 C ATOM 1084 CG ARG A 69 11.074 8.014 -27.599 1.00 64.41 C ATOM 1085 CD ARG A 69 11.272 9.518 -27.698 1.00 53.22 C ATOM 1086 NE ARG A 69 11.319 9.974 -29.085 1.00 31.11 N ATOM 1087 CZ ARG A 69 11.632 11.215 -29.440 1.00 64.24 C ATOM 1088 NH1 ARG A 69 11.925 12.119 -28.516 1.00 23.21 N ATOM 1089 NH2 ARG A 69 11.654 11.553 -30.723 1.00 52.42 N ATOM 0 H ARG A 69 11.442 5.236 -28.998 1.00 24.31 H new ATOM 0 HA ARG A 69 12.839 7.729 -29.728 1.00 4.03 H new ATOM 0 HB2 ARG A 69 12.347 6.388 -27.039 1.00 2.21 H new ATOM 0 HB3 ARG A 69 13.186 7.909 -27.270 1.00 2.21 H new ATOM 0 HG2 ARG A 69 10.421 7.678 -28.405 1.00 64.41 H new ATOM 0 HG3 ARG A 69 10.573 7.773 -26.661 1.00 64.41 H new ATOM 0 HD2 ARG A 69 10.460 10.026 -27.177 1.00 53.22 H new ATOM 0 HD3 ARG A 69 12.197 9.796 -27.194 1.00 53.22 H new ATOM 0 HE ARG A 69 11.099 9.303 -29.821 1.00 31.11 H new ATOM 0 HH11 ARG A 69 11.911 11.862 -27.529 1.00 23.21 H new ATOM 0 HH12 ARG A 69 12.165 13.071 -28.792 1.00 23.21 H new ATOM 0 HH21 ARG A 69 11.430 10.860 -31.437 1.00 52.42 H new ATOM 0 HH22 ARG A 69 11.894 12.506 -30.995 1.00 52.42 H new ATOM 1103 N GLY A 70 15.137 6.854 -28.503 1.00 64.23 N ATOM 1104 CA GLY A 70 16.479 6.305 -28.436 1.00 3.51 C ATOM 1105 C GLY A 70 17.543 7.383 -28.368 1.00 2.11 C ATOM 1106 O GLY A 70 17.235 8.558 -28.167 1.00 33.44 O ATOM 0 H GLY A 70 15.030 7.777 -28.083 1.00 64.23 H new ATOM 0 HA2 GLY A 70 16.562 5.661 -27.560 1.00 3.51 H new ATOM 0 HA3 GLY A 70 16.656 5.678 -29.310 1.00 3.51 H new ATOM 1110 N SER A 71 18.800 6.983 -28.535 1.00 12.35 N ATOM 1111 CA SER A 71 19.914 7.923 -28.485 1.00 72.15 C ATOM 1112 C SER A 71 19.691 9.081 -29.454 1.00 31.24 C ATOM 1113 O SER A 71 18.896 8.996 -30.390 1.00 42.31 O ATOM 1114 CB SER A 71 21.225 7.210 -28.819 1.00 64.52 C ATOM 1115 OG SER A 71 21.004 6.119 -29.697 1.00 11.21 O ATOM 0 H SER A 71 19.072 6.015 -28.706 1.00 12.35 H new ATOM 0 HA SER A 71 19.974 8.324 -27.473 1.00 72.15 H new ATOM 0 HB2 SER A 71 21.919 7.915 -29.277 1.00 64.52 H new ATOM 0 HB3 SER A 71 21.692 6.853 -27.901 1.00 64.52 H new ATOM 0 HG SER A 71 20.301 6.353 -30.339 1.00 11.21 H new ATOM 1121 N PRO A 72 20.409 10.190 -29.223 1.00 61.05 N ATOM 1122 CA PRO A 72 20.308 11.387 -30.064 1.00 24.22 C ATOM 1123 C PRO A 72 20.902 11.172 -31.452 1.00 2.22 C ATOM 1124 O PRO A 72 20.646 11.947 -32.373 1.00 12.25 O ATOM 1125 CB PRO A 72 21.118 12.432 -29.292 1.00 32.44 C ATOM 1126 CG PRO A 72 22.084 11.639 -28.481 1.00 32.24 C ATOM 1127 CD PRO A 72 21.375 10.361 -28.125 1.00 64.15 C ATOM 0 HA PRO A 72 19.272 11.675 -30.240 1.00 24.22 H new ATOM 0 HB2 PRO A 72 21.634 13.112 -29.969 1.00 32.44 H new ATOM 0 HB3 PRO A 72 20.475 13.042 -28.657 1.00 32.44 H new ATOM 0 HG2 PRO A 72 22.994 11.436 -29.046 1.00 32.24 H new ATOM 0 HG3 PRO A 72 22.380 12.184 -27.585 1.00 32.24 H new ATOM 0 HD2 PRO A 72 22.067 9.521 -28.064 1.00 64.15 H new ATOM 0 HD3 PRO A 72 20.876 10.434 -27.159 1.00 64.15 H new ATOM 1135 N GLU A 73 21.696 10.115 -31.594 1.00 40.40 N ATOM 1136 CA GLU A 73 22.326 9.800 -32.871 1.00 0.42 C ATOM 1137 C GLU A 73 21.536 8.730 -33.618 1.00 54.11 C ATOM 1138 O GLU A 73 20.975 8.988 -34.683 1.00 74.11 O ATOM 1139 CB GLU A 73 23.765 9.328 -32.652 1.00 72.20 C ATOM 1140 CG GLU A 73 24.461 8.887 -33.928 1.00 63.44 C ATOM 1141 CD GLU A 73 24.596 10.010 -34.938 1.00 2.24 C ATOM 1142 OE1 GLU A 73 25.423 10.917 -34.707 1.00 41.54 O ATOM 1143 OE2 GLU A 73 23.875 9.983 -35.957 1.00 24.22 O ATOM 0 H GLU A 73 21.918 9.463 -30.841 1.00 40.40 H new ATOM 0 HA GLU A 73 22.337 10.707 -33.475 1.00 0.42 H new ATOM 0 HB2 GLU A 73 24.338 10.135 -32.196 1.00 72.20 H new ATOM 0 HB3 GLU A 73 23.763 8.499 -31.944 1.00 72.20 H new ATOM 0 HG2 GLU A 73 25.451 8.503 -33.683 1.00 63.44 H new ATOM 0 HG3 GLU A 73 23.903 8.065 -34.377 1.00 63.44 H new ATOM 1150 N SER A 74 21.497 7.528 -33.052 1.00 51.11 N ATOM 1151 CA SER A 74 20.779 6.417 -33.666 1.00 65.10 C ATOM 1152 C SER A 74 19.342 6.811 -33.990 1.00 52.34 C ATOM 1153 O SER A 74 18.795 7.745 -33.403 1.00 55.34 O ATOM 1154 CB SER A 74 20.790 5.201 -32.738 1.00 34.31 C ATOM 1155 OG SER A 74 21.954 5.185 -31.931 1.00 22.23 O ATOM 0 H SER A 74 21.954 7.299 -32.169 1.00 51.11 H new ATOM 0 HA SER A 74 21.285 6.160 -34.597 1.00 65.10 H new ATOM 0 HB2 SER A 74 19.904 5.216 -32.103 1.00 34.31 H new ATOM 0 HB3 SER A 74 20.742 4.287 -33.330 1.00 34.31 H new ATOM 0 HG SER A 74 21.733 5.507 -31.032 1.00 22.23 H new ATOM 1161 N HIS A 75 18.735 6.093 -34.930 1.00 22.42 N ATOM 1162 CA HIS A 75 17.360 6.366 -35.333 1.00 45.22 C ATOM 1163 C HIS A 75 16.624 5.072 -35.667 1.00 3.05 C ATOM 1164 O HIS A 75 17.019 4.338 -36.574 1.00 12.55 O ATOM 1165 CB HIS A 75 17.338 7.305 -36.540 1.00 31.30 C ATOM 1166 CG HIS A 75 16.036 8.024 -36.715 1.00 72.33 C ATOM 1167 ND1 HIS A 75 15.868 9.360 -36.419 1.00 61.11 N ATOM 1168 CD2 HIS A 75 14.835 7.585 -37.161 1.00 44.22 C ATOM 1169 CE1 HIS A 75 14.620 9.712 -36.673 1.00 64.25 C ATOM 1170 NE2 HIS A 75 13.973 8.653 -37.125 1.00 52.04 N ATOM 0 H HIS A 75 19.174 5.318 -35.427 1.00 22.42 H new ATOM 0 HA HIS A 75 16.851 6.847 -34.498 1.00 45.22 H new ATOM 0 HB2 HIS A 75 18.137 8.038 -36.434 1.00 31.30 H new ATOM 0 HB3 HIS A 75 17.550 6.730 -37.441 1.00 31.30 H new ATOM 0 HD2 HIS A 75 14.599 6.582 -37.485 1.00 44.22 H new ATOM 0 HE1 HIS A 75 14.201 10.698 -36.535 1.00 64.25 H new ATOM 0 HE2 HIS A 75 12.992 8.632 -37.402 1.00 52.04 H new ATOM 1178 N ILE A 76 15.555 4.798 -34.927 1.00 52.23 N ATOM 1179 CA ILE A 76 14.764 3.593 -35.145 1.00 43.11 C ATOM 1180 C ILE A 76 13.549 3.883 -36.019 1.00 51.41 C ATOM 1181 O ILE A 76 12.566 4.465 -35.560 1.00 32.14 O ATOM 1182 CB ILE A 76 14.291 2.982 -33.813 1.00 54.11 C ATOM 1183 CG1 ILE A 76 15.492 2.620 -32.937 1.00 52.22 C ATOM 1184 CG2 ILE A 76 13.427 1.756 -34.070 1.00 41.22 C ATOM 1185 CD1 ILE A 76 15.227 2.772 -31.456 1.00 32.43 C ATOM 0 H ILE A 76 15.217 5.394 -34.171 1.00 52.23 H new ATOM 0 HA ILE A 76 15.411 2.878 -35.654 1.00 43.11 H new ATOM 0 HB ILE A 76 13.690 3.722 -33.284 1.00 54.11 H new ATOM 0 HG12 ILE A 76 15.784 1.590 -33.142 1.00 52.22 H new ATOM 0 HG13 ILE A 76 16.337 3.251 -33.213 1.00 52.22 H new ATOM 0 HG21 ILE A 76 13.100 1.335 -33.119 1.00 41.22 H new ATOM 0 HG22 ILE A 76 12.555 2.042 -34.659 1.00 41.22 H new ATOM 0 HG23 ILE A 76 14.006 1.011 -34.617 1.00 41.22 H new ATOM 0 HD11 ILE A 76 16.121 2.498 -30.896 1.00 32.43 H new ATOM 0 HD12 ILE A 76 14.965 3.807 -31.238 1.00 32.43 H new ATOM 0 HD13 ILE A 76 14.403 2.120 -31.165 1.00 32.43 H new ATOM 1197 N ASP A 77 13.623 3.473 -37.280 1.00 54.14 N ATOM 1198 CA ASP A 77 12.527 3.686 -38.219 1.00 40.30 C ATOM 1199 C ASP A 77 11.388 2.705 -37.957 1.00 44.40 C ATOM 1200 O ASP A 77 10.230 2.984 -38.267 1.00 41.54 O ATOM 1201 CB ASP A 77 13.024 3.538 -39.658 1.00 32.21 C ATOM 1202 CG ASP A 77 12.153 4.283 -40.651 1.00 24.13 C ATOM 1203 OD1 ASP A 77 11.074 4.765 -40.249 1.00 12.44 O ATOM 1204 OD2 ASP A 77 12.552 4.384 -41.830 1.00 2.24 O ATOM 0 H ASP A 77 14.430 2.991 -37.676 1.00 54.14 H new ATOM 0 HA ASP A 77 12.150 4.699 -38.076 1.00 40.30 H new ATOM 0 HB2 ASP A 77 14.047 3.909 -39.726 1.00 32.21 H new ATOM 0 HB3 ASP A 77 13.050 2.481 -39.923 1.00 32.21 H new ATOM 1209 N LYS A 78 11.726 1.555 -37.385 1.00 34.32 N ATOM 1210 CA LYS A 78 10.733 0.531 -37.080 1.00 53.23 C ATOM 1211 C LYS A 78 11.290 -0.491 -36.095 1.00 32.31 C ATOM 1212 O LYS A 78 12.503 -0.669 -35.990 1.00 0.31 O ATOM 1213 CB LYS A 78 10.286 -0.173 -38.364 1.00 14.44 C ATOM 1214 CG LYS A 78 11.434 -0.544 -39.285 1.00 62.33 C ATOM 1215 CD LYS A 78 11.120 -1.793 -40.092 1.00 51.23 C ATOM 1216 CE LYS A 78 10.323 -1.461 -41.344 1.00 74.14 C ATOM 1217 NZ LYS A 78 11.124 -0.670 -42.319 1.00 11.12 N ATOM 0 H LYS A 78 12.680 1.308 -37.123 1.00 34.32 H new ATOM 0 HA LYS A 78 9.873 1.019 -36.622 1.00 53.23 H new ATOM 0 HB2 LYS A 78 9.736 -1.076 -38.100 1.00 14.44 H new ATOM 0 HB3 LYS A 78 9.595 0.475 -38.902 1.00 14.44 H new ATOM 0 HG2 LYS A 78 11.641 0.285 -39.962 1.00 62.33 H new ATOM 0 HG3 LYS A 78 12.336 -0.708 -38.696 1.00 62.33 H new ATOM 0 HD2 LYS A 78 12.049 -2.290 -40.372 1.00 51.23 H new ATOM 0 HD3 LYS A 78 10.557 -2.494 -39.476 1.00 51.23 H new ATOM 0 HE2 LYS A 78 9.986 -2.384 -41.815 1.00 74.14 H new ATOM 0 HE3 LYS A 78 9.430 -0.900 -41.068 1.00 74.14 H new ATOM 0 HZ1 LYS A 78 10.738 -0.804 -43.275 1.00 11.12 H new ATOM 0 HZ2 LYS A 78 11.082 0.338 -42.066 1.00 11.12 H new ATOM 0 HZ3 LYS A 78 12.113 -0.991 -42.297 1.00 11.12 H new ATOM 1231 N ALA A 79 10.396 -1.162 -35.376 1.00 55.12 N ATOM 1232 CA ALA A 79 10.798 -2.169 -34.402 1.00 42.04 C ATOM 1233 C ALA A 79 9.702 -3.211 -34.205 1.00 2.43 C ATOM 1234 O ALA A 79 8.619 -3.102 -34.778 1.00 64.45 O ATOM 1235 CB ALA A 79 11.149 -1.510 -33.076 1.00 75.52 C ATOM 0 H ALA A 79 9.388 -1.026 -35.450 1.00 55.12 H new ATOM 0 HA ALA A 79 11.681 -2.679 -34.786 1.00 42.04 H new ATOM 0 HB1 ALA A 79 11.447 -2.274 -32.358 1.00 75.52 H new ATOM 0 HB2 ALA A 79 11.971 -0.810 -33.224 1.00 75.52 H new ATOM 0 HB3 ALA A 79 10.280 -0.974 -32.695 1.00 75.52 H new ATOM 1241 N ASN A 80 9.991 -4.220 -33.389 1.00 44.25 N ATOM 1242 CA ASN A 80 9.030 -5.282 -33.117 1.00 70.14 C ATOM 1243 C ASN A 80 9.462 -6.111 -31.912 1.00 22.31 C ATOM 1244 O ASN A 80 10.610 -6.035 -31.472 1.00 34.52 O ATOM 1245 CB ASN A 80 8.876 -6.185 -34.343 1.00 31.11 C ATOM 1246 CG ASN A 80 7.760 -5.727 -35.262 1.00 32.22 C ATOM 1247 OD1 ASN A 80 7.972 -5.511 -36.455 1.00 5.31 O ATOM 1248 ND2 ASN A 80 6.562 -5.577 -34.708 1.00 70.34 N ATOM 0 H ASN A 80 10.883 -4.324 -32.905 1.00 44.25 H new ATOM 0 HA ASN A 80 8.069 -4.820 -32.892 1.00 70.14 H new ATOM 0 HB2 ASN A 80 9.814 -6.204 -34.897 1.00 31.11 H new ATOM 0 HB3 ASN A 80 8.678 -7.206 -34.016 1.00 31.11 H new ATOM 0 HD21 ASN A 80 5.772 -5.271 -35.276 1.00 70.34 H new ATOM 0 HD22 ASN A 80 6.432 -5.768 -33.714 1.00 70.34 H new ATOM 1255 N PHE A 81 8.536 -6.903 -31.383 1.00 33.45 N ATOM 1256 CA PHE A 81 8.820 -7.747 -30.228 1.00 22.04 C ATOM 1257 C PHE A 81 8.550 -9.215 -30.547 1.00 3.45 C ATOM 1258 O PHE A 81 7.774 -9.534 -31.447 1.00 41.02 O ATOM 1259 CB PHE A 81 7.975 -7.310 -29.029 1.00 51.05 C ATOM 1260 CG PHE A 81 6.517 -7.146 -29.352 1.00 42.54 C ATOM 1261 CD1 PHE A 81 5.701 -8.253 -29.514 1.00 73.12 C ATOM 1262 CD2 PHE A 81 5.964 -5.883 -29.495 1.00 33.34 C ATOM 1263 CE1 PHE A 81 4.359 -8.105 -29.811 1.00 32.30 C ATOM 1264 CE2 PHE A 81 4.623 -5.729 -29.791 1.00 34.31 C ATOM 1265 CZ PHE A 81 3.819 -6.842 -29.950 1.00 44.45 C ATOM 0 H PHE A 81 7.582 -6.978 -31.736 1.00 33.45 H new ATOM 0 HA PHE A 81 9.875 -7.636 -29.979 1.00 22.04 H new ATOM 0 HB2 PHE A 81 8.082 -8.046 -28.232 1.00 51.05 H new ATOM 0 HB3 PHE A 81 8.363 -6.366 -28.646 1.00 51.05 H new ATOM 0 HD1 PHE A 81 6.118 -9.244 -29.407 1.00 73.12 H new ATOM 0 HD2 PHE A 81 6.588 -5.010 -29.374 1.00 33.34 H new ATOM 0 HE1 PHE A 81 3.733 -8.977 -29.934 1.00 32.30 H new ATOM 0 HE2 PHE A 81 4.203 -4.740 -29.898 1.00 34.31 H new ATOM 0 HZ PHE A 81 2.771 -6.724 -30.182 1.00 44.45 H new ATOM 1275 N LYS A 82 9.197 -10.104 -29.801 1.00 65.35 N ATOM 1276 CA LYS A 82 9.029 -11.539 -30.002 1.00 54.42 C ATOM 1277 C LYS A 82 8.133 -12.137 -28.923 1.00 32.44 C ATOM 1278 O LYS A 82 7.627 -11.424 -28.057 1.00 24.52 O ATOM 1279 CB LYS A 82 10.389 -12.239 -29.997 1.00 4.20 C ATOM 1280 CG LYS A 82 11.321 -11.767 -31.100 1.00 55.12 C ATOM 1281 CD LYS A 82 11.202 -12.638 -32.340 1.00 4.50 C ATOM 1282 CE LYS A 82 10.138 -12.112 -33.291 1.00 1.21 C ATOM 1283 NZ LYS A 82 10.447 -12.446 -34.709 1.00 22.12 N ATOM 0 H LYS A 82 9.843 -9.856 -29.051 1.00 65.35 H new ATOM 0 HA LYS A 82 8.553 -11.692 -30.971 1.00 54.42 H new ATOM 0 HB2 LYS A 82 10.869 -12.075 -29.032 1.00 4.20 H new ATOM 0 HB3 LYS A 82 10.235 -13.313 -30.098 1.00 4.20 H new ATOM 0 HG2 LYS A 82 11.089 -10.733 -31.356 1.00 55.12 H new ATOM 0 HG3 LYS A 82 12.350 -11.783 -30.740 1.00 55.12 H new ATOM 0 HD2 LYS A 82 12.163 -12.676 -32.853 1.00 4.50 H new ATOM 0 HD3 LYS A 82 10.957 -13.659 -32.047 1.00 4.50 H new ATOM 0 HE2 LYS A 82 9.170 -12.534 -33.021 1.00 1.21 H new ATOM 0 HE3 LYS A 82 10.056 -11.031 -33.182 1.00 1.21 H new ATOM 0 HZ1 LYS A 82 9.698 -12.070 -35.325 1.00 22.12 H new ATOM 0 HZ2 LYS A 82 11.359 -12.023 -34.975 1.00 22.12 H new ATOM 0 HZ3 LYS A 82 10.500 -13.479 -34.819 1.00 22.12 H new ATOM 1297 N ASN A 83 7.942 -13.451 -28.980 1.00 71.40 N ATOM 1298 CA ASN A 83 7.108 -14.146 -28.006 1.00 54.11 C ATOM 1299 C ASN A 83 7.750 -14.120 -26.623 1.00 0.35 C ATOM 1300 O ASN A 83 8.595 -14.956 -26.304 1.00 53.12 O ATOM 1301 CB ASN A 83 6.873 -15.593 -28.444 1.00 53.13 C ATOM 1302 CG ASN A 83 6.022 -15.687 -29.696 1.00 60.02 C ATOM 1303 OD1 ASN A 83 4.801 -15.826 -29.621 1.00 61.44 O ATOM 1304 ND2 ASN A 83 6.665 -15.611 -30.855 1.00 63.34 N ATOM 0 H ASN A 83 8.354 -14.056 -29.691 1.00 71.40 H new ATOM 0 HA ASN A 83 6.150 -13.630 -27.952 1.00 54.11 H new ATOM 0 HB2 ASN A 83 7.834 -16.076 -28.624 1.00 53.13 H new ATOM 0 HB3 ASN A 83 6.387 -16.140 -27.636 1.00 53.13 H new ATOM 0 HD21 ASN A 83 6.146 -15.668 -31.731 1.00 63.34 H new ATOM 0 HD22 ASN A 83 7.678 -15.496 -30.869 1.00 63.34 H new ATOM 1311 N GLU A 84 7.343 -13.154 -25.805 1.00 14.20 N ATOM 1312 CA GLU A 84 7.879 -13.019 -24.456 1.00 30.13 C ATOM 1313 C GLU A 84 7.774 -14.337 -23.695 1.00 24.55 C ATOM 1314 O GLU A 84 7.033 -15.238 -24.088 1.00 61.23 O ATOM 1315 CB GLU A 84 7.136 -11.918 -23.695 1.00 65.24 C ATOM 1316 CG GLU A 84 5.647 -12.179 -23.548 1.00 11.13 C ATOM 1317 CD GLU A 84 4.839 -11.614 -24.700 1.00 32.31 C ATOM 1318 OE1 GLU A 84 4.506 -10.411 -24.659 1.00 23.42 O ATOM 1319 OE2 GLU A 84 4.539 -12.376 -25.643 1.00 62.21 O ATOM 0 H GLU A 84 6.644 -12.454 -26.053 1.00 14.20 H new ATOM 0 HA GLU A 84 8.932 -12.748 -24.537 1.00 30.13 H new ATOM 0 HB2 GLU A 84 7.577 -11.812 -22.704 1.00 65.24 H new ATOM 0 HB3 GLU A 84 7.281 -10.969 -24.212 1.00 65.24 H new ATOM 0 HG2 GLU A 84 5.475 -13.253 -23.481 1.00 11.13 H new ATOM 0 HG3 GLU A 84 5.296 -11.741 -22.614 1.00 11.13 H new ATOM 1326 N LYS A 85 8.523 -14.444 -22.602 1.00 12.22 N ATOM 1327 CA LYS A 85 8.516 -15.650 -21.783 1.00 74.53 C ATOM 1328 C LYS A 85 8.486 -15.301 -20.299 1.00 1.11 C ATOM 1329 O LYS A 85 9.525 -15.047 -19.690 1.00 24.32 O ATOM 1330 CB LYS A 85 9.745 -16.508 -22.092 1.00 31.12 C ATOM 1331 CG LYS A 85 9.653 -17.922 -21.544 1.00 5.33 C ATOM 1332 CD LYS A 85 8.828 -18.819 -22.450 1.00 61.15 C ATOM 1333 CE LYS A 85 8.561 -20.170 -21.805 1.00 24.14 C ATOM 1334 NZ LYS A 85 7.605 -20.987 -22.602 1.00 65.23 N ATOM 0 H LYS A 85 9.143 -13.709 -22.263 1.00 12.22 H new ATOM 0 HA LYS A 85 7.616 -16.216 -22.022 1.00 74.53 H new ATOM 0 HB2 LYS A 85 9.883 -16.554 -23.172 1.00 31.12 H new ATOM 0 HB3 LYS A 85 10.629 -16.024 -21.678 1.00 31.12 H new ATOM 0 HG2 LYS A 85 10.655 -18.337 -21.435 1.00 5.33 H new ATOM 0 HG3 LYS A 85 9.207 -17.899 -20.550 1.00 5.33 H new ATOM 0 HD2 LYS A 85 7.881 -18.332 -22.681 1.00 61.15 H new ATOM 0 HD3 LYS A 85 9.351 -18.963 -23.395 1.00 61.15 H new ATOM 0 HE2 LYS A 85 9.500 -20.713 -21.697 1.00 24.14 H new ATOM 0 HE3 LYS A 85 8.162 -20.021 -20.802 1.00 24.14 H new ATOM 0 HZ1 LYS A 85 7.450 -21.900 -22.129 1.00 65.23 H new ATOM 0 HZ2 LYS A 85 6.700 -20.481 -22.684 1.00 65.23 H new ATOM 0 HZ3 LYS A 85 7.996 -21.152 -23.551 1.00 65.23 H new ATOM 1348 N VAL A 86 7.289 -15.291 -19.722 1.00 13.54 N ATOM 1349 CA VAL A 86 7.124 -14.975 -18.308 1.00 4.33 C ATOM 1350 C VAL A 86 7.932 -15.928 -17.434 1.00 72.32 C ATOM 1351 O VAL A 86 7.923 -17.141 -17.649 1.00 13.23 O ATOM 1352 CB VAL A 86 5.644 -15.039 -17.887 1.00 22.04 C ATOM 1353 CG1 VAL A 86 5.124 -16.465 -17.980 1.00 73.23 C ATOM 1354 CG2 VAL A 86 5.467 -14.489 -16.479 1.00 73.34 C ATOM 0 H VAL A 86 6.419 -15.498 -20.212 1.00 13.54 H new ATOM 0 HA VAL A 86 7.490 -13.958 -18.166 1.00 4.33 H new ATOM 0 HB VAL A 86 5.062 -14.420 -18.570 1.00 22.04 H new ATOM 0 HG11 VAL A 86 4.077 -16.491 -17.679 1.00 73.23 H new ATOM 0 HG12 VAL A 86 5.215 -16.819 -19.007 1.00 73.23 H new ATOM 0 HG13 VAL A 86 5.707 -17.109 -17.321 1.00 73.23 H new ATOM 0 HG21 VAL A 86 4.415 -14.542 -16.197 1.00 73.34 H new ATOM 0 HG22 VAL A 86 6.060 -15.080 -15.780 1.00 73.34 H new ATOM 0 HG23 VAL A 86 5.799 -13.451 -16.449 1.00 73.34 H new ATOM 1364 N ILE A 87 8.629 -15.373 -16.449 1.00 13.51 N ATOM 1365 CA ILE A 87 9.440 -16.174 -15.542 1.00 25.05 C ATOM 1366 C ILE A 87 9.251 -15.729 -14.095 1.00 52.25 C ATOM 1367 O ILE A 87 8.567 -14.741 -13.823 1.00 21.11 O ATOM 1368 CB ILE A 87 10.936 -16.090 -15.901 1.00 33.22 C ATOM 1369 CG1 ILE A 87 11.355 -14.632 -16.096 1.00 53.41 C ATOM 1370 CG2 ILE A 87 11.226 -16.903 -17.154 1.00 13.40 C ATOM 1371 CD1 ILE A 87 12.818 -14.464 -16.441 1.00 30.22 C ATOM 0 H ILE A 87 8.648 -14.371 -16.259 1.00 13.51 H new ATOM 0 HA ILE A 87 9.106 -17.206 -15.649 1.00 25.05 H new ATOM 0 HB ILE A 87 11.516 -16.508 -15.078 1.00 33.22 H new ATOM 0 HG12 ILE A 87 10.750 -14.192 -16.889 1.00 53.41 H new ATOM 0 HG13 ILE A 87 11.139 -14.075 -15.184 1.00 53.41 H new ATOM 0 HG21 ILE A 87 12.287 -16.834 -17.395 1.00 13.40 H new ATOM 0 HG22 ILE A 87 10.960 -17.946 -16.981 1.00 13.40 H new ATOM 0 HG23 ILE A 87 10.639 -16.512 -17.985 1.00 13.40 H new ATOM 0 HD11 ILE A 87 13.043 -13.405 -16.565 1.00 30.22 H new ATOM 0 HD12 ILE A 87 13.431 -14.874 -15.638 1.00 30.22 H new ATOM 0 HD13 ILE A 87 13.036 -14.992 -17.369 1.00 30.22 H new ATOM 1383 N LEU A 88 9.862 -16.462 -13.172 1.00 33.34 N ATOM 1384 CA LEU A 88 9.762 -16.142 -11.752 1.00 23.32 C ATOM 1385 C LEU A 88 10.976 -15.344 -11.287 1.00 63.21 C ATOM 1386 O LEU A 88 10.881 -14.521 -10.377 1.00 15.31 O ATOM 1387 CB LEU A 88 9.635 -17.425 -10.928 1.00 12.44 C ATOM 1388 CG LEU A 88 8.516 -18.381 -11.342 1.00 53.52 C ATOM 1389 CD1 LEU A 88 8.749 -19.763 -10.753 1.00 70.00 C ATOM 1390 CD2 LEU A 88 7.162 -17.836 -10.910 1.00 70.11 C ATOM 0 H LEU A 88 10.432 -17.282 -13.381 1.00 33.34 H new ATOM 0 HA LEU A 88 8.871 -15.532 -11.604 1.00 23.32 H new ATOM 0 HB2 LEU A 88 10.582 -17.962 -10.981 1.00 12.44 H new ATOM 0 HB3 LEU A 88 9.482 -17.149 -9.885 1.00 12.44 H new ATOM 0 HG LEU A 88 8.521 -18.467 -12.429 1.00 53.52 H new ATOM 0 HD11 LEU A 88 7.942 -20.429 -11.059 1.00 70.00 H new ATOM 0 HD12 LEU A 88 9.700 -20.156 -11.112 1.00 70.00 H new ATOM 0 HD13 LEU A 88 8.772 -19.696 -9.665 1.00 70.00 H new ATOM 0 HD21 LEU A 88 6.377 -18.529 -11.213 1.00 70.11 H new ATOM 0 HD22 LEU A 88 7.145 -17.720 -9.826 1.00 70.11 H new ATOM 0 HD23 LEU A 88 6.992 -16.868 -11.381 1.00 70.11 H new ATOM 1402 N LYS A 89 12.118 -15.592 -11.920 1.00 22.02 N ATOM 1403 CA LYS A 89 13.351 -14.895 -11.575 1.00 4.12 C ATOM 1404 C LYS A 89 14.188 -14.621 -12.820 1.00 42.14 C ATOM 1405 O LYS A 89 13.965 -15.218 -13.874 1.00 63.33 O ATOM 1406 CB LYS A 89 14.164 -15.718 -10.573 1.00 32.23 C ATOM 1407 CG LYS A 89 14.464 -17.130 -11.047 1.00 14.34 C ATOM 1408 CD LYS A 89 14.802 -18.048 -9.884 1.00 71.13 C ATOM 1409 CE LYS A 89 16.225 -17.826 -9.394 1.00 73.44 C ATOM 1410 NZ LYS A 89 16.578 -18.749 -8.280 1.00 14.42 N ATOM 0 H LYS A 89 12.215 -16.271 -12.675 1.00 22.02 H new ATOM 0 HA LYS A 89 13.084 -13.941 -11.121 1.00 4.12 H new ATOM 0 HB2 LYS A 89 15.104 -15.204 -10.371 1.00 32.23 H new ATOM 0 HB3 LYS A 89 13.619 -15.768 -9.630 1.00 32.23 H new ATOM 0 HG2 LYS A 89 13.602 -17.525 -11.585 1.00 14.34 H new ATOM 0 HG3 LYS A 89 15.297 -17.110 -11.750 1.00 14.34 H new ATOM 0 HD2 LYS A 89 14.103 -17.873 -9.066 1.00 71.13 H new ATOM 0 HD3 LYS A 89 14.680 -19.087 -10.191 1.00 71.13 H new ATOM 0 HE2 LYS A 89 16.921 -17.971 -10.220 1.00 73.44 H new ATOM 0 HE3 LYS A 89 16.338 -16.794 -9.060 1.00 73.44 H new ATOM 0 HZ1 LYS A 89 17.555 -18.566 -7.974 1.00 14.42 H new ATOM 0 HZ2 LYS A 89 15.930 -18.593 -7.481 1.00 14.42 H new ATOM 0 HZ3 LYS A 89 16.495 -19.733 -8.605 1.00 14.42 H new ATOM 1424 N LEU A 90 15.152 -13.716 -12.693 1.00 1.24 N ATOM 1425 CA LEU A 90 16.024 -13.364 -13.808 1.00 50.10 C ATOM 1426 C LEU A 90 17.293 -14.210 -13.795 1.00 42.30 C ATOM 1427 O LEU A 90 17.683 -14.746 -12.758 1.00 4.44 O ATOM 1428 CB LEU A 90 16.386 -11.879 -13.749 1.00 4.12 C ATOM 1429 CG LEU A 90 15.268 -10.932 -13.312 1.00 2.01 C ATOM 1430 CD1 LEU A 90 15.813 -9.530 -13.087 1.00 62.04 C ATOM 1431 CD2 LEU A 90 14.151 -10.913 -14.345 1.00 43.12 C ATOM 0 H LEU A 90 15.350 -13.212 -11.828 1.00 1.24 H new ATOM 0 HA LEU A 90 15.486 -13.564 -14.735 1.00 50.10 H new ATOM 0 HB2 LEU A 90 17.226 -11.757 -13.065 1.00 4.12 H new ATOM 0 HB3 LEU A 90 16.731 -11.570 -14.736 1.00 4.12 H new ATOM 0 HG LEU A 90 14.858 -11.295 -12.370 1.00 2.01 H new ATOM 0 HD11 LEU A 90 15.003 -8.870 -12.777 1.00 62.04 H new ATOM 0 HD12 LEU A 90 16.577 -9.557 -12.310 1.00 62.04 H new ATOM 0 HD13 LEU A 90 16.250 -9.157 -14.013 1.00 62.04 H new ATOM 0 HD21 LEU A 90 13.364 -10.234 -14.017 1.00 43.12 H new ATOM 0 HD22 LEU A 90 14.547 -10.575 -15.303 1.00 43.12 H new ATOM 0 HD23 LEU A 90 13.741 -11.917 -14.456 1.00 43.12 H new ATOM 1443 N ASP A 91 17.934 -14.323 -14.953 1.00 71.41 N ATOM 1444 CA ASP A 91 19.161 -15.101 -15.075 1.00 25.23 C ATOM 1445 C ASP A 91 20.386 -14.227 -14.824 1.00 40.44 C ATOM 1446 O ASP A 91 21.436 -14.716 -14.406 1.00 14.42 O ATOM 1447 CB ASP A 91 19.250 -15.740 -16.462 1.00 25.05 C ATOM 1448 CG ASP A 91 17.944 -16.380 -16.889 1.00 24.20 C ATOM 1449 OD1 ASP A 91 17.473 -17.294 -16.181 1.00 72.53 O ATOM 1450 OD2 ASP A 91 17.394 -15.968 -17.932 1.00 2.43 O ATOM 0 H ASP A 91 17.624 -13.886 -15.821 1.00 71.41 H new ATOM 0 HA ASP A 91 19.139 -15.889 -14.322 1.00 25.23 H new ATOM 0 HB2 ASP A 91 19.535 -14.981 -17.191 1.00 25.05 H new ATOM 0 HB3 ASP A 91 20.038 -16.493 -16.462 1.00 25.05 H new ATOM 1455 N TYR A 92 20.245 -12.932 -15.084 1.00 53.33 N ATOM 1456 CA TYR A 92 21.340 -11.989 -14.891 1.00 23.33 C ATOM 1457 C TYR A 92 21.047 -11.045 -13.729 1.00 5.31 C ATOM 1458 O TYR A 92 19.923 -10.985 -13.231 1.00 43.21 O ATOM 1459 CB TYR A 92 21.580 -11.184 -16.169 1.00 24.30 C ATOM 1460 CG TYR A 92 22.171 -12.000 -17.297 1.00 33.44 C ATOM 1461 CD1 TYR A 92 23.532 -12.273 -17.345 1.00 22.04 C ATOM 1462 CD2 TYR A 92 21.366 -12.500 -18.314 1.00 4.13 C ATOM 1463 CE1 TYR A 92 24.076 -13.018 -18.373 1.00 52.54 C ATOM 1464 CE2 TYR A 92 21.901 -13.247 -19.346 1.00 1.43 C ATOM 1465 CZ TYR A 92 23.256 -13.502 -19.371 1.00 63.34 C ATOM 1466 OH TYR A 92 23.794 -14.246 -20.397 1.00 53.42 O ATOM 0 H TYR A 92 19.382 -12.511 -15.429 1.00 53.33 H new ATOM 0 HA TYR A 92 22.239 -12.559 -14.655 1.00 23.33 H new ATOM 0 HB2 TYR A 92 20.635 -10.753 -16.500 1.00 24.30 H new ATOM 0 HB3 TYR A 92 22.248 -10.353 -15.945 1.00 24.30 H new ATOM 0 HD1 TYR A 92 24.176 -11.896 -16.565 1.00 22.04 H new ATOM 0 HD2 TYR A 92 20.305 -12.301 -18.297 1.00 4.13 H new ATOM 0 HE1 TYR A 92 25.137 -13.220 -18.395 1.00 52.54 H new ATOM 0 HE2 TYR A 92 21.262 -13.629 -20.128 1.00 1.43 H new ATOM 0 HH TYR A 92 23.083 -14.512 -21.016 1.00 53.42 H new ATOM 1476 N SER A 93 22.068 -10.308 -13.302 1.00 41.45 N ATOM 1477 CA SER A 93 21.923 -9.367 -12.197 1.00 72.44 C ATOM 1478 C SER A 93 22.078 -7.930 -12.683 1.00 42.44 C ATOM 1479 O SER A 93 21.545 -6.998 -12.081 1.00 0.23 O ATOM 1480 CB SER A 93 22.956 -9.664 -11.108 1.00 73.05 C ATOM 1481 OG SER A 93 23.125 -11.060 -10.933 1.00 42.01 O ATOM 0 H SER A 93 23.005 -10.344 -13.705 1.00 41.45 H new ATOM 0 HA SER A 93 20.923 -9.485 -11.781 1.00 72.44 H new ATOM 0 HB2 SER A 93 23.910 -9.209 -11.374 1.00 73.05 H new ATOM 0 HB3 SER A 93 22.639 -9.212 -10.168 1.00 73.05 H new ATOM 0 HG SER A 93 23.791 -11.224 -10.233 1.00 42.01 H new ATOM 1487 N ASP A 94 22.812 -7.758 -13.777 1.00 42.22 N ATOM 1488 CA ASP A 94 23.038 -6.434 -14.346 1.00 61.23 C ATOM 1489 C ASP A 94 23.157 -6.509 -15.865 1.00 52.04 C ATOM 1490 O ASP A 94 23.295 -7.592 -16.435 1.00 43.52 O ATOM 1491 CB ASP A 94 24.302 -5.810 -13.754 1.00 2.33 C ATOM 1492 CG ASP A 94 25.472 -6.774 -13.737 1.00 74.43 C ATOM 1493 OD1 ASP A 94 26.152 -6.899 -14.777 1.00 74.50 O ATOM 1494 OD2 ASP A 94 25.706 -7.405 -12.685 1.00 63.10 O ATOM 0 H ASP A 94 23.261 -8.519 -14.288 1.00 42.22 H new ATOM 0 HA ASP A 94 22.182 -5.807 -14.097 1.00 61.23 H new ATOM 0 HB2 ASP A 94 24.572 -4.926 -14.332 1.00 2.33 H new ATOM 0 HB3 ASP A 94 24.096 -5.475 -12.737 1.00 2.33 H new ATOM 1499 N PHE A 95 23.101 -5.351 -16.516 1.00 35.52 N ATOM 1500 CA PHE A 95 23.200 -5.286 -17.969 1.00 54.32 C ATOM 1501 C PHE A 95 24.659 -5.276 -18.415 1.00 71.40 C ATOM 1502 O PHE A 95 25.432 -4.403 -18.023 1.00 22.11 O ATOM 1503 CB PHE A 95 22.486 -4.038 -18.494 1.00 63.03 C ATOM 1504 CG PHE A 95 21.906 -4.213 -19.868 1.00 72.14 C ATOM 1505 CD1 PHE A 95 22.703 -4.622 -20.925 1.00 4.10 C ATOM 1506 CD2 PHE A 95 20.562 -3.968 -20.104 1.00 24.23 C ATOM 1507 CE1 PHE A 95 22.172 -4.784 -22.191 1.00 23.33 C ATOM 1508 CE2 PHE A 95 20.026 -4.129 -21.367 1.00 73.31 C ATOM 1509 CZ PHE A 95 20.832 -4.537 -22.412 1.00 52.41 C ATOM 0 H PHE A 95 22.988 -4.446 -16.060 1.00 35.52 H new ATOM 0 HA PHE A 95 22.719 -6.173 -18.381 1.00 54.32 H new ATOM 0 HB2 PHE A 95 21.687 -3.768 -17.803 1.00 63.03 H new ATOM 0 HB3 PHE A 95 23.190 -3.206 -18.509 1.00 63.03 H new ATOM 0 HD1 PHE A 95 23.752 -4.817 -20.758 1.00 4.10 H new ATOM 0 HD2 PHE A 95 19.927 -3.648 -19.291 1.00 24.23 H new ATOM 0 HE1 PHE A 95 22.805 -5.103 -23.006 1.00 23.33 H new ATOM 0 HE2 PHE A 95 18.977 -3.936 -21.537 1.00 73.31 H new ATOM 0 HZ PHE A 95 20.415 -4.663 -23.400 1.00 52.41 H new ATOM 1519 N GLN A 96 25.027 -6.255 -19.236 1.00 52.31 N ATOM 1520 CA GLN A 96 26.393 -6.360 -19.734 1.00 61.02 C ATOM 1521 C GLN A 96 26.450 -6.080 -21.232 1.00 54.42 C ATOM 1522 O GLN A 96 25.468 -6.281 -21.948 1.00 64.04 O ATOM 1523 CB GLN A 96 26.959 -7.751 -19.442 1.00 2.31 C ATOM 1524 CG GLN A 96 28.471 -7.772 -19.288 1.00 64.11 C ATOM 1525 CD GLN A 96 28.994 -9.125 -18.846 1.00 50.30 C ATOM 1526 OE1 GLN A 96 28.220 -10.027 -18.523 1.00 44.24 O ATOM 1527 NE2 GLN A 96 30.313 -9.273 -18.829 1.00 25.10 N ATOM 0 H GLN A 96 24.399 -6.986 -19.570 1.00 52.31 H new ATOM 0 HA GLN A 96 26.998 -5.613 -19.220 1.00 61.02 H new ATOM 0 HB2 GLN A 96 26.504 -8.135 -18.529 1.00 2.31 H new ATOM 0 HB3 GLN A 96 26.675 -8.427 -20.249 1.00 2.31 H new ATOM 0 HG2 GLN A 96 28.933 -7.501 -20.237 1.00 64.11 H new ATOM 0 HG3 GLN A 96 28.769 -7.016 -18.561 1.00 64.11 H new ATOM 0 HE21 GLN A 96 30.917 -8.498 -19.105 1.00 25.10 H new ATOM 0 HE22 GLN A 96 30.723 -10.161 -18.540 1.00 25.10 H new ATOM 1536 N ILE A 97 27.603 -5.614 -21.699 1.00 2.11 N ATOM 1537 CA ILE A 97 27.787 -5.307 -23.112 1.00 11.22 C ATOM 1538 C ILE A 97 28.477 -6.456 -23.839 1.00 0.10 C ATOM 1539 O ILE A 97 29.448 -7.026 -23.341 1.00 41.13 O ATOM 1540 CB ILE A 97 28.613 -4.022 -23.306 1.00 1.42 C ATOM 1541 CG1 ILE A 97 27.974 -2.859 -22.543 1.00 45.13 C ATOM 1542 CG2 ILE A 97 28.735 -3.689 -24.785 1.00 51.53 C ATOM 1543 CD1 ILE A 97 28.822 -1.606 -22.531 1.00 23.21 C ATOM 0 H ILE A 97 28.424 -5.441 -21.119 1.00 2.11 H new ATOM 0 HA ILE A 97 26.793 -5.158 -23.534 1.00 11.22 H new ATOM 0 HB ILE A 97 29.614 -4.187 -22.907 1.00 1.42 H new ATOM 0 HG12 ILE A 97 27.007 -2.629 -22.990 1.00 45.13 H new ATOM 0 HG13 ILE A 97 27.784 -3.170 -21.516 1.00 45.13 H new ATOM 0 HG21 ILE A 97 29.322 -2.778 -24.906 1.00 51.53 H new ATOM 0 HG22 ILE A 97 29.230 -4.510 -25.303 1.00 51.53 H new ATOM 0 HG23 ILE A 97 27.741 -3.539 -25.207 1.00 51.53 H new ATOM 0 HD11 ILE A 97 28.307 -0.824 -21.973 1.00 23.21 H new ATOM 0 HD12 ILE A 97 29.780 -1.820 -22.057 1.00 23.21 H new ATOM 0 HD13 ILE A 97 28.990 -1.271 -23.554 1.00 23.21 H new ATOM 1555 N VAL A 98 27.970 -6.791 -25.021 1.00 51.53 N ATOM 1556 CA VAL A 98 28.539 -7.870 -25.819 1.00 51.24 C ATOM 1557 C VAL A 98 29.677 -7.363 -26.697 1.00 43.45 C ATOM 1558 O VAL A 98 29.494 -6.454 -27.508 1.00 60.20 O ATOM 1559 CB VAL A 98 27.472 -8.530 -26.712 1.00 73.43 C ATOM 1560 CG1 VAL A 98 28.035 -9.770 -27.391 1.00 5.52 C ATOM 1561 CG2 VAL A 98 26.235 -8.875 -25.897 1.00 34.21 C ATOM 0 H VAL A 98 27.166 -6.330 -25.447 1.00 51.53 H new ATOM 0 HA VAL A 98 28.926 -8.611 -25.119 1.00 51.24 H new ATOM 0 HB VAL A 98 27.183 -7.820 -27.487 1.00 73.43 H new ATOM 0 HG11 VAL A 98 27.266 -10.222 -28.018 1.00 5.52 H new ATOM 0 HG12 VAL A 98 28.889 -9.491 -28.009 1.00 5.52 H new ATOM 0 HG13 VAL A 98 28.354 -10.486 -26.634 1.00 5.52 H new ATOM 0 HG21 VAL A 98 25.491 -9.341 -26.544 1.00 34.21 H new ATOM 0 HG22 VAL A 98 26.506 -9.567 -25.099 1.00 34.21 H new ATOM 0 HG23 VAL A 98 25.820 -7.965 -25.463 1.00 34.21 H new ATOM 1571 N LYS A 99 30.855 -7.956 -26.532 1.00 14.15 N ATOM 1572 CA LYS A 99 32.025 -7.567 -27.310 1.00 15.33 C ATOM 1573 C LYS A 99 32.389 -8.648 -28.321 1.00 65.35 C ATOM 1574 O LYS A 99 32.508 -9.823 -27.973 1.00 72.31 O ATOM 1575 CB LYS A 99 33.213 -7.298 -26.383 1.00 73.42 C ATOM 1576 CG LYS A 99 32.878 -6.391 -25.212 1.00 32.31 C ATOM 1577 CD LYS A 99 34.034 -6.297 -24.231 1.00 25.20 C ATOM 1578 CE LYS A 99 34.105 -7.523 -23.333 1.00 13.21 C ATOM 1579 NZ LYS A 99 35.218 -7.426 -22.348 1.00 54.22 N ATOM 0 H LYS A 99 31.024 -8.709 -25.865 1.00 14.15 H new ATOM 0 HA LYS A 99 31.783 -6.654 -27.853 1.00 15.33 H new ATOM 0 HB2 LYS A 99 33.587 -8.248 -26.001 1.00 73.42 H new ATOM 0 HB3 LYS A 99 34.020 -6.848 -26.961 1.00 73.42 H new ATOM 0 HG2 LYS A 99 32.631 -5.396 -25.581 1.00 32.31 H new ATOM 0 HG3 LYS A 99 31.994 -6.769 -24.699 1.00 32.31 H new ATOM 0 HD2 LYS A 99 34.970 -6.192 -24.779 1.00 25.20 H new ATOM 0 HD3 LYS A 99 33.921 -5.402 -23.619 1.00 25.20 H new ATOM 0 HE2 LYS A 99 33.160 -7.640 -22.803 1.00 13.21 H new ATOM 0 HE3 LYS A 99 34.239 -8.415 -23.946 1.00 13.21 H new ATOM 0 HZ1 LYS A 99 35.232 -8.280 -21.755 1.00 54.22 H new ATOM 0 HZ2 LYS A 99 36.123 -7.340 -22.854 1.00 54.22 H new ATOM 0 HZ3 LYS A 99 35.077 -6.590 -21.746 1.00 54.22 H new TER 1593 LYS A 99