USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= 0.0729 K(o=0.22,f=-1.2) USER MOD Set 1.2: A 67 HIS :FLIP no HE2:sc= 0.144 F(o=-1.2,f=0.22) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.523 K(o=1.8,f=0.97) USER MOD Set 2.2: A 75 CYS SG : rot 88:sc= 1.32 USER MOD Set 3.1: A 42 SER OG : rot 174:sc= 0.392 USER MOD Set 3.2: A 44 GLN : amide:sc= -1.01 K(o=-0.62,f=-7.1!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 137:sc= -0.0873 (180deg=-0.481) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0.088) USER MOD Single : A 9 SER OG : rot 82:sc= 0.333 USER MOD Single : A 10 GLN : amide:sc=-0.00129 K(o=-0.0013,f=-0.74) USER MOD Single : A 17 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 47:sc= 0.0676 USER MOD Single : A 33 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 34 ASN : amide:sc= 1.2 K(o=1.2,f=-0.48) USER MOD Single : A 35 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.012) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 37 SER OG : rot 180:sc= -0.121 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.568 K(o=-0.57,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc=-0.00848 (180deg=-0.146) USER MOD Single : A 54 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 56 MET CE :methyl -173:sc= -1.11 (180deg=-1.28) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.802 K(o=0.8,f=-5.7!) USER MOD Single : A 72 GLN : amide:sc= -0.455 K(o=-0.46,f=-2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.266 2.960 2.498 1.00 72.44 N ATOM 2 CA PRO A 1 -9.771 3.096 1.119 1.00 63.23 C ATOM 3 C PRO A 1 -10.571 4.385 0.957 1.00 50.34 C ATOM 4 O PRO A 1 -11.738 4.448 1.336 1.00 54.34 O ATOM 5 CB PRO A 1 -10.645 1.892 0.802 1.00 35.02 C ATOM 6 CG PRO A 1 -10.648 1.102 2.069 1.00 24.21 C ATOM 7 CD PRO A 1 -10.208 2.049 3.167 1.00 63.42 C ATOM 0 H2 PRO A 1 -9.231 3.864 2.968 1.00 72.44 H new ATOM 0 H3 PRO A 1 -8.319 2.582 2.508 1.00 72.44 H new ATOM 0 HA PRO A 1 -8.929 3.139 0.428 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -11.653 2.195 0.518 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -10.240 1.313 -0.028 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -11.641 0.703 2.275 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -9.971 0.250 1.997 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -11.054 2.590 3.589 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -9.730 1.514 3.988 1.00 63.42 H new ATOM 17 N GLY A 2 -9.932 5.413 0.414 1.00 35.53 N ATOM 18 CA GLY A 2 -10.609 6.682 0.211 1.00 24.52 C ATOM 19 C GLY A 2 -11.444 6.689 -1.052 1.00 1.40 C ATOM 20 O GLY A 2 -12.608 7.086 -1.037 1.00 22.44 O ATOM 0 H GLY A 2 -8.958 5.392 0.110 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -11.248 6.892 1.068 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -9.870 7.482 0.161 1.00 24.52 H new ATOM 24 N SER A 3 -10.849 6.250 -2.146 1.00 10.13 N ATOM 25 CA SER A 3 -11.540 6.197 -3.422 1.00 12.40 C ATOM 26 C SER A 3 -12.364 4.915 -3.528 1.00 50.22 C ATOM 27 O SER A 3 -11.816 3.813 -3.465 1.00 24.11 O ATOM 28 CB SER A 3 -10.521 6.263 -4.558 1.00 44.31 C ATOM 29 OG SER A 3 -9.563 7.277 -4.309 1.00 54.01 O ATOM 0 H SER A 3 -9.883 5.923 -2.176 1.00 10.13 H new ATOM 0 HA SER A 3 -12.217 7.048 -3.496 1.00 12.40 H new ATOM 0 HB2 SER A 3 -10.021 5.300 -4.662 1.00 44.31 H new ATOM 0 HB3 SER A 3 -11.031 6.461 -5.501 1.00 44.31 H new ATOM 0 HG SER A 3 -8.917 7.305 -5.045 1.00 54.01 H new ATOM 35 N MET A 4 -13.678 5.060 -3.671 1.00 64.30 N ATOM 36 CA MET A 4 -14.565 3.905 -3.803 1.00 73.21 C ATOM 37 C MET A 4 -14.664 3.470 -5.261 1.00 42.35 C ATOM 38 O MET A 4 -15.228 2.419 -5.573 1.00 54.24 O ATOM 39 CB MET A 4 -15.962 4.232 -3.268 1.00 72.52 C ATOM 40 CG MET A 4 -15.979 4.668 -1.811 1.00 21.33 C ATOM 41 SD MET A 4 -17.633 5.109 -1.240 1.00 14.12 S ATOM 42 CE MET A 4 -18.478 3.533 -1.372 1.00 12.30 C ATOM 0 H MET A 4 -14.153 5.962 -3.699 1.00 64.30 H new ATOM 0 HA MET A 4 -14.144 3.089 -3.216 1.00 73.21 H new ATOM 0 HB2 MET A 4 -16.398 5.023 -3.879 1.00 72.52 H new ATOM 0 HB3 MET A 4 -16.598 3.354 -3.382 1.00 72.52 H new ATOM 0 HG2 MET A 4 -15.586 3.863 -1.190 1.00 21.33 H new ATOM 0 HG3 MET A 4 -15.314 5.522 -1.683 1.00 21.33 H new ATOM 0 HE1 MET A 4 -19.096 3.376 -0.488 1.00 12.30 H new ATOM 0 HE2 MET A 4 -19.109 3.532 -2.261 1.00 12.30 H new ATOM 0 HE3 MET A 4 -17.743 2.731 -1.448 1.00 12.30 H new ATOM 52 N THR A 5 -14.119 4.288 -6.148 1.00 5.32 N ATOM 53 CA THR A 5 -14.130 4.004 -7.572 1.00 22.53 C ATOM 54 C THR A 5 -13.121 2.918 -7.931 1.00 65.22 C ATOM 55 O THR A 5 -11.905 3.128 -7.875 1.00 62.04 O ATOM 56 CB THR A 5 -13.844 5.280 -8.384 1.00 42.10 C ATOM 57 OG1 THR A 5 -12.893 6.097 -7.684 1.00 71.41 O ATOM 58 CG2 THR A 5 -15.124 6.067 -8.621 1.00 53.01 C ATOM 0 H THR A 5 -13.659 5.164 -5.901 1.00 5.32 H new ATOM 0 HA THR A 5 -15.126 3.640 -7.826 1.00 22.53 H new ATOM 0 HB THR A 5 -13.433 4.990 -9.351 1.00 42.10 H new ATOM 0 HG1 THR A 5 -12.712 6.907 -8.205 1.00 71.41 H new ATOM 0 HG21 THR A 5 -14.898 6.965 -9.197 1.00 53.01 H new ATOM 0 HG22 THR A 5 -15.833 5.451 -9.174 1.00 53.01 H new ATOM 0 HG23 THR A 5 -15.559 6.351 -7.663 1.00 53.01 H new ATOM 66 N VAL A 6 -13.640 1.757 -8.290 1.00 4.20 N ATOM 67 CA VAL A 6 -12.811 0.626 -8.672 1.00 13.52 C ATOM 68 C VAL A 6 -13.117 0.213 -10.105 1.00 40.55 C ATOM 69 O VAL A 6 -13.944 0.836 -10.772 1.00 4.41 O ATOM 70 CB VAL A 6 -13.020 -0.582 -7.729 1.00 75.41 C ATOM 71 CG1 VAL A 6 -12.547 -0.253 -6.321 1.00 44.14 C ATOM 72 CG2 VAL A 6 -14.480 -1.013 -7.718 1.00 12.15 C ATOM 0 H VAL A 6 -14.642 1.571 -8.325 1.00 4.20 H new ATOM 0 HA VAL A 6 -11.770 0.941 -8.593 1.00 13.52 H new ATOM 0 HB VAL A 6 -12.423 -1.413 -8.105 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -12.703 -1.116 -5.674 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -11.486 -0.003 -6.343 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -13.112 0.596 -5.936 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -14.603 -1.864 -7.048 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -15.101 -0.186 -7.372 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -14.783 -1.298 -8.726 1.00 12.15 H new ATOM 82 N THR A 7 -12.437 -0.808 -10.585 1.00 31.41 N ATOM 83 CA THR A 7 -12.706 -1.336 -11.907 1.00 35.31 C ATOM 84 C THR A 7 -13.809 -2.391 -11.842 1.00 31.42 C ATOM 85 O THR A 7 -14.067 -2.954 -10.778 1.00 72.04 O ATOM 86 CB THR A 7 -11.429 -1.939 -12.519 1.00 54.51 C ATOM 87 OG1 THR A 7 -10.712 -2.678 -11.518 1.00 5.41 O ATOM 88 CG2 THR A 7 -10.533 -0.848 -13.087 1.00 10.33 C ATOM 0 H THR A 7 -11.693 -1.289 -10.079 1.00 31.41 H new ATOM 0 HA THR A 7 -13.041 -0.517 -12.543 1.00 35.31 H new ATOM 0 HB THR A 7 -11.719 -2.607 -13.330 1.00 54.51 H new ATOM 0 HG1 THR A 7 -9.901 -3.061 -11.913 1.00 5.41 H new ATOM 0 HG21 THR A 7 -9.637 -1.299 -13.514 1.00 10.33 H new ATOM 0 HG22 THR A 7 -11.070 -0.303 -13.863 1.00 10.33 H new ATOM 0 HG23 THR A 7 -10.249 -0.159 -12.291 1.00 10.33 H new ATOM 96 N GLN A 8 -14.458 -2.643 -12.981 1.00 3.23 N ATOM 97 CA GLN A 8 -15.521 -3.650 -13.078 1.00 50.02 C ATOM 98 C GLN A 8 -16.730 -3.286 -12.208 1.00 1.14 C ATOM 99 O GLN A 8 -17.521 -4.153 -11.834 1.00 72.35 O ATOM 100 CB GLN A 8 -14.985 -5.034 -12.697 1.00 43.14 C ATOM 101 CG GLN A 8 -13.868 -5.520 -13.609 1.00 33.25 C ATOM 102 CD GLN A 8 -13.268 -6.833 -13.149 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.309 -6.860 -12.379 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.829 -7.936 -13.624 1.00 54.35 N ATOM 0 H GLN A 8 -14.264 -2.159 -13.858 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.857 -3.674 -14.115 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.619 -5.004 -11.671 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.804 -5.753 -12.723 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -14.256 -5.637 -14.621 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -13.085 -4.763 -13.653 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.623 -7.871 -14.261 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.467 -8.850 -13.353 1.00 54.35 H new ATOM 113 N SER A 9 -16.892 -1.994 -11.930 1.00 52.14 N ATOM 114 CA SER A 9 -18.015 -1.507 -11.133 1.00 2.52 C ATOM 115 C SER A 9 -19.348 -1.838 -11.802 1.00 0.31 C ATOM 116 O SER A 9 -20.348 -2.079 -11.127 1.00 54.11 O ATOM 117 CB SER A 9 -17.901 0.003 -10.917 1.00 33.54 C ATOM 118 OG SER A 9 -16.661 0.339 -10.320 1.00 75.12 O ATOM 0 H SER A 9 -16.256 -1.262 -12.247 1.00 52.14 H new ATOM 0 HA SER A 9 -17.982 -2.009 -10.166 1.00 2.52 H new ATOM 0 HB2 SER A 9 -18.000 0.519 -11.872 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.719 0.346 -10.283 1.00 33.54 H new ATOM 0 HG SER A 9 -15.967 0.386 -11.011 1.00 75.12 H new ATOM 124 N GLN A 10 -19.352 -1.855 -13.131 1.00 65.43 N ATOM 125 CA GLN A 10 -20.548 -2.210 -13.884 1.00 50.30 C ATOM 126 C GLN A 10 -20.901 -3.677 -13.659 1.00 24.22 C ATOM 127 O GLN A 10 -22.073 -4.047 -13.630 1.00 13.03 O ATOM 128 CB GLN A 10 -20.349 -1.935 -15.377 1.00 3.51 C ATOM 129 CG GLN A 10 -19.143 -2.640 -15.970 1.00 31.21 C ATOM 130 CD GLN A 10 -19.037 -2.460 -17.469 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.042 -2.333 -18.167 1.00 43.14 O ATOM 132 NE2 GLN A 10 -17.816 -2.446 -17.974 1.00 21.05 N ATOM 0 H GLN A 10 -18.542 -1.627 -13.707 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.373 -1.593 -13.528 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -21.243 -2.246 -15.917 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.242 -0.861 -15.529 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -18.237 -2.260 -15.498 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.200 -3.704 -15.739 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -17.009 -2.555 -17.360 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -17.681 -2.327 -18.978 1.00 21.05 H new ATOM 141 N LEU A 11 -19.876 -4.503 -13.474 1.00 1.21 N ATOM 142 CA LEU A 11 -20.068 -5.921 -13.213 1.00 12.41 C ATOM 143 C LEU A 11 -20.630 -6.098 -11.806 1.00 54.11 C ATOM 144 O LEU A 11 -21.573 -6.863 -11.592 1.00 71.13 O ATOM 145 CB LEU A 11 -18.739 -6.672 -13.392 1.00 53.43 C ATOM 146 CG LEU A 11 -18.806 -8.199 -13.274 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.750 -8.837 -14.162 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.601 -8.641 -11.832 1.00 61.15 C ATOM 0 H LEU A 11 -18.899 -4.210 -13.501 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.780 -6.341 -13.923 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.332 -6.421 -14.372 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.033 -6.301 -12.649 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.795 -8.523 -13.598 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.805 -9.922 -14.071 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.925 -8.550 -15.199 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -16.761 -8.497 -13.853 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.653 -9.728 -11.774 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.624 -8.305 -11.484 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -19.379 -8.207 -11.204 1.00 61.15 H new ATOM 160 N GLU A 12 -20.054 -5.362 -10.861 1.00 14.13 N ATOM 161 CA GLU A 12 -20.569 -5.310 -9.494 1.00 13.33 C ATOM 162 C GLU A 12 -22.046 -4.916 -9.499 1.00 23.45 C ATOM 163 O GLU A 12 -22.892 -5.594 -8.912 1.00 35.24 O ATOM 164 CB GLU A 12 -19.774 -4.289 -8.678 1.00 72.23 C ATOM 165 CG GLU A 12 -18.304 -4.637 -8.498 1.00 2.41 C ATOM 166 CD GLU A 12 -18.060 -5.561 -7.325 1.00 74.31 C ATOM 167 OE1 GLU A 12 -18.244 -5.115 -6.169 1.00 33.12 O ATOM 168 OE2 GLU A 12 -17.671 -6.724 -7.543 1.00 23.41 O ATOM 0 H GLU A 12 -19.225 -4.789 -11.017 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.464 -6.297 -9.044 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.848 -3.316 -9.164 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -20.234 -4.190 -7.695 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -17.932 -5.107 -9.408 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.733 -3.720 -8.357 1.00 2.41 H new ATOM 175 N LEU A 13 -22.346 -3.819 -10.186 1.00 24.43 N ATOM 176 CA LEU A 13 -23.708 -3.302 -10.281 1.00 1.43 C ATOM 177 C LEU A 13 -24.646 -4.321 -10.931 1.00 31.21 C ATOM 178 O LEU A 13 -25.790 -4.490 -10.502 1.00 4.34 O ATOM 179 CB LEU A 13 -23.699 -1.983 -11.068 1.00 73.45 C ATOM 180 CG LEU A 13 -25.070 -1.376 -11.385 1.00 63.21 C ATOM 181 CD1 LEU A 13 -25.030 0.133 -11.231 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.500 -1.739 -12.798 1.00 50.21 C ATOM 0 H LEU A 13 -21.655 -3.264 -10.691 1.00 24.43 H new ATOM 0 HA LEU A 13 -24.084 -3.116 -9.275 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.122 -1.251 -10.503 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -23.172 -2.148 -12.008 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.795 -1.784 -10.680 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -26.011 0.548 -11.460 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.758 0.387 -10.206 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.291 0.549 -11.916 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.476 -1.300 -13.006 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.770 -1.355 -13.510 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.563 -2.823 -12.892 1.00 50.21 H new ATOM 194 N LEU A 14 -24.155 -5.002 -11.958 1.00 72.01 N ATOM 195 CA LEU A 14 -24.948 -6.000 -12.668 1.00 3.52 C ATOM 196 C LEU A 14 -25.346 -7.141 -11.736 1.00 71.02 C ATOM 197 O LEU A 14 -26.508 -7.550 -11.702 1.00 70.32 O ATOM 198 CB LEU A 14 -24.171 -6.541 -13.872 1.00 33.20 C ATOM 199 CG LEU A 14 -24.929 -7.541 -14.750 1.00 40.12 C ATOM 200 CD1 LEU A 14 -26.165 -6.895 -15.360 1.00 54.01 C ATOM 201 CD2 LEU A 14 -24.017 -8.087 -15.837 1.00 11.21 C ATOM 0 H LEU A 14 -23.209 -4.882 -12.320 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.858 -5.520 -13.027 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.864 -5.699 -14.492 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.261 -7.019 -13.510 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.256 -8.371 -14.123 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.688 -7.623 -15.980 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -26.827 -6.553 -14.564 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.866 -6.045 -15.973 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -24.569 -8.796 -16.453 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -23.661 -7.266 -16.460 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -23.166 -8.590 -15.379 1.00 11.21 H new ATOM 213 N ILE A 15 -24.386 -7.641 -10.966 1.00 13.25 N ATOM 214 CA ILE A 15 -24.660 -8.715 -10.019 1.00 24.23 C ATOM 215 C ILE A 15 -25.596 -8.230 -8.910 1.00 61.32 C ATOM 216 O ILE A 15 -26.457 -8.974 -8.452 1.00 75.31 O ATOM 217 CB ILE A 15 -23.360 -9.285 -9.404 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.445 -9.824 -10.509 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.669 -10.384 -8.389 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.145 -10.400 -9.995 1.00 63.52 C ATOM 0 H ILE A 15 -23.417 -7.322 -10.978 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.148 -9.517 -10.573 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.848 -8.477 -8.882 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.978 -10.594 -11.066 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.224 -9.019 -11.210 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.737 -10.767 -7.972 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.285 -9.976 -7.587 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.206 -11.194 -8.882 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.550 -10.761 -10.834 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.590 -9.627 -9.463 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.356 -11.227 -9.317 1.00 63.52 H new ATOM 232 N ARG A 16 -25.443 -6.973 -8.503 1.00 32.24 N ATOM 233 CA ARG A 16 -26.323 -6.383 -7.492 1.00 15.30 C ATOM 234 C ARG A 16 -27.743 -6.205 -8.020 1.00 74.23 C ATOM 235 O ARG A 16 -28.704 -6.225 -7.252 1.00 15.23 O ATOM 236 CB ARG A 16 -25.785 -5.035 -7.007 1.00 23.14 C ATOM 237 CG ARG A 16 -24.658 -5.146 -5.994 1.00 71.35 C ATOM 238 CD ARG A 16 -25.097 -5.896 -4.744 1.00 63.11 C ATOM 239 NE ARG A 16 -26.248 -5.265 -4.101 1.00 73.55 N ATOM 240 CZ ARG A 16 -26.624 -5.491 -2.843 1.00 72.42 C ATOM 241 NH1 ARG A 16 -25.935 -6.329 -2.077 1.00 4.32 N ATOM 242 NH2 ARG A 16 -27.688 -4.868 -2.356 1.00 75.13 N ATOM 0 H ARG A 16 -24.722 -6.343 -8.855 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.348 -7.077 -6.652 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -25.432 -4.466 -7.867 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -26.603 -4.467 -6.564 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.810 -5.659 -6.448 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -24.316 -4.148 -5.719 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.347 -6.924 -5.007 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.267 -5.941 -4.038 1.00 63.11 H new ATOM 0 HE ARG A 16 -26.800 -4.608 -4.652 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.113 -6.803 -2.451 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -26.228 -6.498 -1.115 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -28.213 -4.220 -2.944 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -27.982 -5.036 -1.394 1.00 75.13 H new ATOM 256 N ASN A 17 -27.871 -6.006 -9.324 1.00 21.01 N ATOM 257 CA ASN A 17 -29.185 -5.902 -9.951 1.00 71.44 C ATOM 258 C ASN A 17 -29.839 -7.273 -10.053 1.00 24.13 C ATOM 259 O ASN A 17 -31.036 -7.420 -9.801 1.00 64.41 O ATOM 260 CB ASN A 17 -29.091 -5.265 -11.339 1.00 22.11 C ATOM 261 CG ASN A 17 -29.225 -3.756 -11.303 1.00 54.33 C ATOM 262 OD1 ASN A 17 -30.329 -3.218 -11.400 1.00 70.12 O ATOM 263 ND2 ASN A 17 -28.110 -3.059 -11.166 1.00 64.22 N ATOM 0 H ASN A 17 -27.086 -5.913 -9.968 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.800 -5.260 -9.321 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.135 -5.530 -11.791 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.871 -5.679 -11.977 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -28.146 -2.040 -11.138 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -27.214 -3.540 -11.089 1.00 64.22 H new ATOM 270 N ALA A 18 -29.048 -8.273 -10.421 1.00 24.13 N ATOM 271 CA ALA A 18 -29.546 -9.639 -10.543 1.00 52.44 C ATOM 272 C ALA A 18 -29.814 -10.248 -9.169 1.00 63.32 C ATOM 273 O ALA A 18 -30.914 -10.730 -8.893 1.00 53.11 O ATOM 274 CB ALA A 18 -28.553 -10.494 -11.320 1.00 44.34 C ATOM 0 H ALA A 18 -28.058 -8.164 -10.641 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.489 -9.611 -11.089 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -28.936 -11.511 -11.404 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.414 -10.075 -12.317 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.597 -10.509 -10.796 1.00 44.34 H new ATOM 280 N PHE A 19 -28.808 -10.204 -8.307 1.00 32.44 N ATOM 281 CA PHE A 19 -28.916 -10.754 -6.965 1.00 64.45 C ATOM 282 C PHE A 19 -28.711 -9.643 -5.934 1.00 11.13 C ATOM 283 O PHE A 19 -27.584 -9.365 -5.524 1.00 74.13 O ATOM 284 CB PHE A 19 -27.877 -11.861 -6.752 1.00 5.30 C ATOM 285 CG PHE A 19 -27.856 -12.911 -7.830 1.00 32.32 C ATOM 286 CD1 PHE A 19 -28.841 -13.883 -7.894 1.00 44.11 C ATOM 287 CD2 PHE A 19 -26.844 -12.927 -8.776 1.00 21.44 C ATOM 288 CE1 PHE A 19 -28.818 -14.849 -8.882 1.00 53.12 C ATOM 289 CE2 PHE A 19 -26.814 -13.892 -9.765 1.00 21.41 C ATOM 290 CZ PHE A 19 -27.803 -14.855 -9.818 1.00 4.25 C ATOM 0 H PHE A 19 -27.900 -9.789 -8.517 1.00 32.44 H new ATOM 0 HA PHE A 19 -29.910 -11.183 -6.842 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -26.889 -11.407 -6.685 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.071 -12.345 -5.795 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -29.636 -13.886 -7.163 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.069 -12.176 -8.740 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -29.594 -15.599 -8.922 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -26.018 -13.893 -10.495 1.00 21.41 H new ATOM 0 HZ PHE A 19 -27.782 -15.611 -10.589 1.00 4.25 H new ATOM 300 N PRO A 20 -29.799 -8.984 -5.513 1.00 74.32 N ATOM 301 CA PRO A 20 -29.732 -7.823 -4.621 1.00 62.04 C ATOM 302 C PRO A 20 -29.455 -8.200 -3.167 1.00 53.13 C ATOM 303 O PRO A 20 -29.365 -7.334 -2.301 1.00 3.14 O ATOM 304 CB PRO A 20 -31.126 -7.185 -4.750 1.00 73.25 C ATOM 305 CG PRO A 20 -31.827 -7.944 -5.832 1.00 43.34 C ATOM 306 CD PRO A 20 -31.182 -9.296 -5.875 1.00 54.10 C ATOM 0 HA PRO A 20 -28.913 -7.159 -4.897 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.674 -7.250 -3.810 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -31.049 -6.127 -5.002 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.893 -8.027 -5.622 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.730 -7.435 -6.791 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.641 -9.990 -5.171 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.253 -9.751 -6.863 1.00 54.10 H new ATOM 314 N GLU A 21 -29.335 -9.490 -2.897 1.00 43.25 N ATOM 315 CA GLU A 21 -29.022 -9.955 -1.552 1.00 14.45 C ATOM 316 C GLU A 21 -27.691 -10.694 -1.542 1.00 61.52 C ATOM 317 O GLU A 21 -27.340 -11.359 -0.567 1.00 44.12 O ATOM 318 CB GLU A 21 -30.136 -10.864 -1.029 1.00 73.54 C ATOM 319 CG GLU A 21 -30.375 -12.098 -1.880 1.00 25.00 C ATOM 320 CD GLU A 21 -31.473 -12.978 -1.325 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.656 -12.711 -1.616 1.00 2.14 O ATOM 322 OE2 GLU A 21 -31.161 -13.933 -0.586 1.00 31.02 O ATOM 0 H GLU A 21 -29.449 -10.232 -3.587 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.944 -9.088 -0.897 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -29.890 -11.177 -0.014 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -31.061 -10.291 -0.970 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -30.636 -11.792 -2.893 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -29.452 -12.673 -1.948 1.00 25.00 H new ATOM 329 N ALA A 22 -26.944 -10.554 -2.625 1.00 13.31 N ATOM 330 CA ALA A 22 -25.683 -11.260 -2.770 1.00 45.34 C ATOM 331 C ALA A 22 -24.503 -10.382 -2.384 1.00 74.40 C ATOM 332 O ALA A 22 -24.415 -9.219 -2.790 1.00 53.45 O ATOM 333 CB ALA A 22 -25.518 -11.759 -4.198 1.00 43.43 C ATOM 0 H ALA A 22 -27.189 -9.958 -3.416 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.702 -12.113 -2.092 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.569 -12.286 -4.292 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.335 -12.437 -4.443 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.532 -10.912 -4.883 1.00 43.43 H new ATOM 339 N GLU A 23 -23.606 -10.939 -1.593 1.00 31.23 N ATOM 340 CA GLU A 23 -22.360 -10.273 -1.277 1.00 5.24 C ATOM 341 C GLU A 23 -21.347 -10.574 -2.365 1.00 11.04 C ATOM 342 O GLU A 23 -20.916 -11.717 -2.529 1.00 5.32 O ATOM 343 CB GLU A 23 -21.827 -10.726 0.082 1.00 2.23 C ATOM 344 CG GLU A 23 -22.786 -10.461 1.226 1.00 32.11 C ATOM 345 CD GLU A 23 -22.164 -10.733 2.576 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.129 -11.908 2.995 1.00 74.04 O ATOM 347 OE2 GLU A 23 -21.695 -9.771 3.217 1.00 2.10 O ATOM 0 H GLU A 23 -23.719 -11.854 -1.157 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.535 -9.198 -1.225 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -21.609 -11.793 0.041 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -20.885 -10.216 0.282 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -23.118 -9.424 1.185 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -23.672 -11.084 1.105 1.00 32.11 H new ATOM 354 N ILE A 24 -20.995 -9.555 -3.123 1.00 13.41 N ATOM 355 CA ILE A 24 -20.081 -9.709 -4.240 1.00 74.24 C ATOM 356 C ILE A 24 -18.650 -9.464 -3.787 1.00 61.32 C ATOM 357 O ILE A 24 -18.363 -8.474 -3.114 1.00 75.31 O ATOM 358 CB ILE A 24 -20.409 -8.713 -5.365 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.906 -8.713 -5.655 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.624 -9.055 -6.624 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.332 -7.606 -6.585 1.00 33.11 C ATOM 0 H ILE A 24 -21.331 -8.602 -2.985 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.190 -10.727 -4.614 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.119 -7.714 -5.038 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.185 -9.672 -6.091 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.451 -8.619 -4.716 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.868 -8.340 -7.410 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.556 -9.009 -6.411 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.885 -10.061 -6.954 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.408 -7.663 -6.750 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.084 -6.642 -6.141 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.813 -7.711 -7.538 1.00 33.11 H new ATOM 373 N THR A 25 -17.762 -10.378 -4.120 1.00 14.02 N ATOM 374 CA THR A 25 -16.351 -10.164 -3.889 1.00 54.43 C ATOM 375 C THR A 25 -15.548 -10.586 -5.116 1.00 60.33 C ATOM 376 O THR A 25 -15.388 -11.776 -5.391 1.00 24.53 O ATOM 377 CB THR A 25 -15.872 -10.934 -2.642 1.00 3.22 C ATOM 378 OG1 THR A 25 -16.703 -10.591 -1.519 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.420 -10.603 -2.324 1.00 30.53 C ATOM 0 H THR A 25 -17.993 -11.274 -4.550 1.00 14.02 H new ATOM 0 HA THR A 25 -16.191 -9.101 -3.710 1.00 54.43 H new ATOM 0 HB THR A 25 -15.945 -12.003 -2.844 1.00 3.22 H new ATOM 0 HG1 THR A 25 -16.400 -11.081 -0.726 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.105 -11.158 -1.440 1.00 30.53 H new ATOM 0 HG22 THR A 25 -13.790 -10.879 -3.170 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.324 -9.534 -2.134 1.00 30.53 H new ATOM 387 N VAL A 26 -15.067 -9.606 -5.863 1.00 74.44 N ATOM 388 CA VAL A 26 -14.238 -9.885 -7.020 1.00 13.43 C ATOM 389 C VAL A 26 -12.772 -9.960 -6.606 1.00 70.34 C ATOM 390 O VAL A 26 -12.206 -9.010 -6.059 1.00 52.34 O ATOM 391 CB VAL A 26 -14.439 -8.844 -8.155 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.150 -7.425 -7.680 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.576 -9.196 -9.359 1.00 35.24 C ATOM 0 H VAL A 26 -15.236 -8.615 -5.689 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.547 -10.850 -7.421 1.00 13.43 H new ATOM 0 HB VAL A 26 -15.487 -8.879 -8.453 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.302 -6.728 -8.504 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.823 -7.171 -6.861 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.118 -7.360 -7.335 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.729 -8.456 -10.145 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -12.526 -9.201 -9.065 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -13.854 -10.183 -9.730 1.00 35.24 H new ATOM 403 N THR A 27 -12.176 -11.114 -6.834 1.00 53.51 N ATOM 404 CA THR A 27 -10.791 -11.342 -6.476 1.00 3.34 C ATOM 405 C THR A 27 -9.886 -11.098 -7.679 1.00 43.20 C ATOM 406 O THR A 27 -9.844 -11.902 -8.615 1.00 52.12 O ATOM 407 CB THR A 27 -10.581 -12.778 -5.955 1.00 60.22 C ATOM 408 OG1 THR A 27 -11.556 -13.075 -4.948 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.182 -12.949 -5.379 1.00 63.14 C ATOM 0 H THR A 27 -12.635 -11.914 -7.269 1.00 53.51 H new ATOM 0 HA THR A 27 -10.533 -10.643 -5.681 1.00 3.34 H new ATOM 0 HB THR A 27 -10.696 -13.467 -6.792 1.00 60.22 H new ATOM 0 HG1 THR A 27 -11.420 -13.989 -4.621 1.00 55.14 H new ATOM 0 HG21 THR A 27 -9.059 -13.970 -5.018 1.00 63.14 H new ATOM 0 HG22 THR A 27 -8.442 -12.746 -6.154 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.041 -12.253 -4.552 1.00 63.14 H new ATOM 417 N SER A 28 -9.186 -9.976 -7.657 1.00 23.54 N ATOM 418 CA SER A 28 -8.244 -9.635 -8.704 1.00 22.03 C ATOM 419 C SER A 28 -6.899 -10.306 -8.453 1.00 14.30 C ATOM 420 O SER A 28 -6.159 -9.917 -7.549 1.00 32.51 O ATOM 421 CB SER A 28 -8.087 -8.111 -8.774 1.00 23.21 C ATOM 422 OG SER A 28 -8.036 -7.546 -7.471 1.00 51.11 O ATOM 0 H SER A 28 -9.256 -9.280 -6.915 1.00 23.54 H new ATOM 0 HA SER A 28 -8.624 -9.996 -9.660 1.00 22.03 H new ATOM 0 HB2 SER A 28 -7.177 -7.860 -9.319 1.00 23.21 H new ATOM 0 HB3 SER A 28 -8.921 -7.681 -9.329 1.00 23.21 H new ATOM 0 HG SER A 28 -7.411 -8.058 -6.917 1.00 51.11 H new ATOM 428 N LEU A 29 -6.604 -11.338 -9.235 1.00 60.25 N ATOM 429 CA LEU A 29 -5.340 -12.048 -9.110 1.00 24.55 C ATOM 430 C LEU A 29 -4.187 -11.170 -9.578 1.00 12.10 C ATOM 431 O LEU A 29 -4.041 -10.905 -10.770 1.00 65.12 O ATOM 432 CB LEU A 29 -5.358 -13.357 -9.914 1.00 52.33 C ATOM 433 CG LEU A 29 -6.229 -14.489 -9.346 1.00 2.03 C ATOM 434 CD1 LEU A 29 -5.917 -14.725 -7.877 1.00 71.35 C ATOM 435 CD2 LEU A 29 -7.712 -14.200 -9.542 1.00 60.32 C ATOM 0 H LEU A 29 -7.223 -11.700 -9.961 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.198 -12.292 -8.057 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.701 -13.134 -10.924 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -4.334 -13.722 -9.998 1.00 52.33 H new ATOM 0 HG LEU A 29 -5.991 -15.398 -9.898 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -6.545 -15.530 -7.496 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -4.868 -15.000 -7.768 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -6.114 -13.814 -7.312 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.300 -15.020 -9.129 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.973 -13.273 -9.031 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.926 -14.100 -10.606 1.00 60.32 H new ATOM 447 N VAL A 30 -3.390 -10.703 -8.627 1.00 4.40 N ATOM 448 CA VAL A 30 -2.235 -9.872 -8.929 1.00 1.44 C ATOM 449 C VAL A 30 -1.183 -10.684 -9.683 1.00 64.14 C ATOM 450 O VAL A 30 -0.966 -11.862 -9.388 1.00 15.34 O ATOM 451 CB VAL A 30 -1.616 -9.283 -7.640 1.00 71.32 C ATOM 452 CG1 VAL A 30 -0.484 -8.318 -7.963 1.00 52.04 C ATOM 453 CG2 VAL A 30 -2.683 -8.593 -6.801 1.00 30.41 C ATOM 0 H VAL A 30 -3.525 -10.888 -7.633 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.572 -9.046 -9.555 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.199 -10.108 -7.062 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.069 -7.921 -7.037 1.00 52.04 H new ATOM 0 HG12 VAL A 30 0.296 -8.844 -8.514 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -0.867 -7.498 -8.570 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -2.228 -8.185 -5.898 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.133 -7.785 -7.378 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.452 -9.314 -6.526 1.00 30.41 H new ATOM 463 N GLY A 31 -0.553 -10.059 -10.666 1.00 42.32 N ATOM 464 CA GLY A 31 0.425 -10.748 -11.482 1.00 63.24 C ATOM 465 C GLY A 31 -0.060 -10.911 -12.904 1.00 24.53 C ATOM 466 O GLY A 31 0.576 -10.437 -13.849 1.00 24.33 O ATOM 0 H GLY A 31 -0.703 -9.081 -10.914 1.00 42.32 H new ATOM 0 HA2 GLY A 31 1.362 -10.191 -11.477 1.00 63.24 H new ATOM 0 HA3 GLY A 31 0.634 -11.728 -11.053 1.00 63.24 H new ATOM 470 N ASP A 32 -1.198 -11.566 -13.059 1.00 54.21 N ATOM 471 CA ASP A 32 -1.808 -11.735 -14.366 1.00 24.22 C ATOM 472 C ASP A 32 -3.322 -11.769 -14.231 1.00 21.34 C ATOM 473 O ASP A 32 -3.883 -12.666 -13.594 1.00 50.54 O ATOM 474 CB ASP A 32 -1.306 -13.009 -15.044 1.00 33.31 C ATOM 475 CG ASP A 32 -1.633 -13.025 -16.519 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.792 -13.309 -16.871 1.00 1.50 O ATOM 477 OD2 ASP A 32 -0.731 -12.740 -17.336 1.00 71.24 O ATOM 0 H ASP A 32 -1.720 -11.991 -12.292 1.00 54.21 H new ATOM 0 HA ASP A 32 -1.525 -10.888 -14.990 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.227 -13.092 -14.910 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -1.755 -13.878 -14.563 1.00 33.31 H new ATOM 482 N ASN A 33 -3.979 -10.796 -14.841 1.00 11.01 N ATOM 483 CA ASN A 33 -5.413 -10.601 -14.661 1.00 33.31 C ATOM 484 C ASN A 33 -6.216 -11.265 -15.775 1.00 73.15 C ATOM 485 O ASN A 33 -7.258 -10.750 -16.183 1.00 35.41 O ATOM 486 CB ASN A 33 -5.736 -9.106 -14.612 1.00 23.21 C ATOM 487 CG ASN A 33 -5.058 -8.391 -13.459 1.00 63.34 C ATOM 488 OD1 ASN A 33 -3.941 -7.884 -13.595 1.00 61.15 O ATOM 489 ND2 ASN A 33 -5.730 -8.329 -12.321 1.00 30.04 N ATOM 0 H ASN A 33 -3.541 -10.123 -15.470 1.00 11.01 H new ATOM 0 HA ASN A 33 -5.695 -11.069 -13.718 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -5.430 -8.643 -15.550 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -6.815 -8.975 -14.529 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -5.327 -7.849 -11.516 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -6.651 -8.761 -12.249 1.00 30.04 H new ATOM 496 N ASN A 34 -5.753 -12.419 -16.248 1.00 61.41 N ATOM 497 CA ASN A 34 -6.485 -13.163 -17.275 1.00 4.13 C ATOM 498 C ASN A 34 -7.791 -13.709 -16.712 1.00 1.44 C ATOM 499 O ASN A 34 -8.690 -14.099 -17.458 1.00 40.12 O ATOM 500 CB ASN A 34 -5.652 -14.323 -17.846 1.00 53.13 C ATOM 501 CG ASN A 34 -5.392 -15.436 -16.842 1.00 60.20 C ATOM 502 OD1 ASN A 34 -6.213 -16.340 -16.669 1.00 22.32 O ATOM 503 ND2 ASN A 34 -4.243 -15.391 -16.192 1.00 24.41 N ATOM 0 H ASN A 34 -4.884 -12.857 -15.942 1.00 61.41 H new ATOM 0 HA ASN A 34 -6.698 -12.464 -18.084 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -6.168 -14.739 -18.711 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -4.697 -13.934 -18.200 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -4.009 -16.121 -15.519 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.590 -14.626 -16.363 1.00 24.41 H new ATOM 510 N HIS A 35 -7.889 -13.738 -15.388 1.00 11.54 N ATOM 511 CA HIS A 35 -9.088 -14.217 -14.723 1.00 21.41 C ATOM 512 C HIS A 35 -9.284 -13.506 -13.388 1.00 54.15 C ATOM 513 O HIS A 35 -8.319 -13.207 -12.682 1.00 54.44 O ATOM 514 CB HIS A 35 -9.045 -15.744 -14.525 1.00 25.33 C ATOM 515 CG HIS A 35 -8.002 -16.236 -13.557 1.00 13.33 C ATOM 516 ND1 HIS A 35 -8.287 -17.097 -12.521 1.00 35.21 N ATOM 517 CD2 HIS A 35 -6.667 -16.005 -13.490 1.00 50.13 C ATOM 518 CE1 HIS A 35 -7.179 -17.371 -11.860 1.00 24.43 C ATOM 519 NE2 HIS A 35 -6.180 -16.723 -12.426 1.00 23.03 N ATOM 0 H HIS A 35 -7.149 -13.434 -14.755 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.939 -13.988 -15.364 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.024 -16.077 -14.180 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -8.871 -16.215 -15.492 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -6.093 -15.373 -14.152 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -7.103 -18.018 -10.999 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -5.206 -16.751 -12.123 1.00 23.03 H new ATOM 528 N TYR A 36 -10.534 -13.230 -13.065 1.00 43.33 N ATOM 529 CA TYR A 36 -10.898 -12.630 -11.792 1.00 71.31 C ATOM 530 C TYR A 36 -11.845 -13.567 -11.066 1.00 40.50 C ATOM 531 O TYR A 36 -12.853 -13.983 -11.632 1.00 24.43 O ATOM 532 CB TYR A 36 -11.595 -11.279 -11.999 1.00 22.12 C ATOM 533 CG TYR A 36 -10.745 -10.228 -12.679 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.913 -9.396 -11.942 1.00 41.21 C ATOM 535 CD2 TYR A 36 -10.791 -10.056 -14.056 1.00 43.30 C ATOM 536 CE1 TYR A 36 -9.144 -8.428 -12.557 1.00 62.32 C ATOM 537 CE2 TYR A 36 -10.024 -9.091 -14.680 1.00 62.54 C ATOM 538 CZ TYR A 36 -9.205 -8.279 -13.926 1.00 1.54 C ATOM 539 OH TYR A 36 -8.442 -7.313 -14.541 1.00 12.31 O ATOM 0 H TYR A 36 -11.328 -13.415 -13.678 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.991 -12.466 -11.209 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.496 -11.437 -12.591 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.914 -10.897 -11.029 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.866 -9.508 -10.869 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -11.437 -10.687 -14.649 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -8.499 -7.792 -11.969 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -10.066 -8.974 -15.753 1.00 62.54 H new ATOM 0 HH TYR A 36 -8.599 -7.339 -15.508 1.00 12.31 H new ATOM 549 N SER A 37 -11.535 -13.906 -9.831 1.00 2.23 N ATOM 550 CA SER A 37 -12.383 -14.821 -9.090 1.00 21.11 C ATOM 551 C SER A 37 -13.630 -14.090 -8.610 1.00 62.15 C ATOM 552 O SER A 37 -13.544 -13.139 -7.836 1.00 50.13 O ATOM 553 CB SER A 37 -11.613 -15.411 -7.911 1.00 62.23 C ATOM 554 OG SER A 37 -10.405 -16.014 -8.347 1.00 63.00 O ATOM 0 H SER A 37 -10.716 -13.569 -9.325 1.00 2.23 H new ATOM 0 HA SER A 37 -12.688 -15.640 -9.742 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.392 -14.627 -7.187 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.230 -16.151 -7.402 1.00 62.23 H new ATOM 0 HG SER A 37 -9.927 -16.384 -7.576 1.00 63.00 H new ATOM 560 N ILE A 38 -14.787 -14.539 -9.062 1.00 34.53 N ATOM 561 CA ILE A 38 -16.035 -13.880 -8.715 1.00 12.35 C ATOM 562 C ILE A 38 -16.729 -14.635 -7.593 1.00 21.51 C ATOM 563 O ILE A 38 -17.370 -15.659 -7.822 1.00 24.12 O ATOM 564 CB ILE A 38 -16.979 -13.785 -9.933 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.260 -13.114 -11.110 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.243 -13.014 -9.566 1.00 23.22 C ATOM 567 CD1 ILE A 38 -17.080 -13.068 -12.381 1.00 24.22 C ATOM 0 H ILE A 38 -14.890 -15.353 -9.667 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.797 -12.869 -8.385 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.267 -14.793 -10.233 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -15.990 -12.097 -10.826 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -15.330 -13.648 -11.308 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.899 -12.955 -10.435 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -18.760 -13.528 -8.755 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.975 -12.007 -9.245 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -16.505 -12.579 -13.168 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -17.329 -14.083 -12.691 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -17.998 -12.508 -12.202 1.00 24.22 H new ATOM 579 N LYS A 39 -16.580 -14.127 -6.382 1.00 62.41 N ATOM 580 CA LYS A 39 -17.146 -14.762 -5.208 1.00 70.34 C ATOM 581 C LYS A 39 -18.527 -14.187 -4.916 1.00 25.51 C ATOM 582 O LYS A 39 -18.661 -13.020 -4.541 1.00 73.43 O ATOM 583 CB LYS A 39 -16.212 -14.557 -4.015 1.00 35.52 C ATOM 584 CG LYS A 39 -16.647 -15.263 -2.743 1.00 1.32 C ATOM 585 CD LYS A 39 -15.678 -14.974 -1.610 1.00 0.22 C ATOM 586 CE LYS A 39 -16.040 -15.738 -0.353 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.091 -15.452 0.752 1.00 52.43 N ATOM 0 H LYS A 39 -16.066 -13.268 -6.187 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.253 -15.831 -5.391 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.216 -14.906 -4.286 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.131 -13.489 -3.813 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -17.649 -14.936 -2.464 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -16.700 -16.338 -2.918 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -14.667 -15.240 -1.919 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.675 -13.905 -1.398 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -17.051 -15.472 -0.043 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -16.042 -16.807 -0.564 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.369 -15.991 1.597 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.130 -15.729 0.465 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -15.108 -14.435 0.970 1.00 52.43 H new ATOM 601 N VAL A 40 -19.548 -15.003 -5.113 1.00 63.22 N ATOM 602 CA VAL A 40 -20.920 -14.586 -4.891 1.00 35.24 C ATOM 603 C VAL A 40 -21.508 -15.309 -3.683 1.00 33.00 C ATOM 604 O VAL A 40 -21.805 -16.506 -3.740 1.00 4.22 O ATOM 605 CB VAL A 40 -21.803 -14.860 -6.129 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.219 -14.348 -5.911 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.191 -14.235 -7.375 1.00 42.04 C ATOM 0 H VAL A 40 -19.450 -15.968 -5.430 1.00 63.22 H new ATOM 0 HA VAL A 40 -20.907 -13.512 -4.705 1.00 35.24 H new ATOM 0 HB VAL A 40 -21.853 -15.939 -6.276 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -23.820 -14.553 -6.797 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.659 -14.850 -5.049 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.194 -13.273 -5.730 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -21.828 -14.440 -8.235 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.104 -13.157 -7.236 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.202 -14.660 -7.547 1.00 42.04 H new ATOM 617 N ILE A 41 -21.648 -14.588 -2.583 1.00 54.23 N ATOM 618 CA ILE A 41 -22.240 -15.147 -1.378 1.00 33.03 C ATOM 619 C ILE A 41 -23.681 -14.680 -1.245 1.00 40.43 C ATOM 620 O ILE A 41 -23.940 -13.525 -0.917 1.00 0.12 O ATOM 621 CB ILE A 41 -21.447 -14.744 -0.115 1.00 63.32 C ATOM 622 CG1 ILE A 41 -19.987 -15.186 -0.237 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.084 -15.338 1.137 1.00 50.41 C ATOM 624 CD1 ILE A 41 -19.810 -16.684 -0.380 1.00 73.31 C ATOM 0 H ILE A 41 -21.360 -13.613 -2.499 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.209 -16.233 -1.465 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.474 -13.658 -0.027 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.539 -14.693 -1.100 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.440 -14.848 0.643 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.509 -15.041 2.014 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.107 -14.973 1.233 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.093 -16.425 1.060 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -18.749 -16.919 -0.461 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.227 -17.185 0.494 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.327 -17.028 -1.276 1.00 73.31 H new ATOM 636 N SER A 42 -24.616 -15.572 -1.522 1.00 20.34 N ATOM 637 CA SER A 42 -26.024 -15.223 -1.484 1.00 24.41 C ATOM 638 C SER A 42 -26.855 -16.386 -0.964 1.00 53.10 C ATOM 639 O SER A 42 -26.524 -17.551 -1.200 1.00 71.22 O ATOM 640 CB SER A 42 -26.508 -14.823 -2.881 1.00 15.34 C ATOM 641 OG SER A 42 -27.889 -14.505 -2.873 1.00 44.11 O ATOM 0 H SER A 42 -24.426 -16.542 -1.775 1.00 20.34 H new ATOM 0 HA SER A 42 -26.147 -14.378 -0.807 1.00 24.41 H new ATOM 0 HB2 SER A 42 -25.937 -13.965 -3.235 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.324 -15.639 -3.580 1.00 15.34 H new ATOM 0 HG SER A 42 -28.149 -14.155 -3.751 1.00 44.11 H new ATOM 647 N SER A 43 -27.940 -16.062 -0.271 1.00 30.43 N ATOM 648 CA SER A 43 -28.868 -17.068 0.223 1.00 73.12 C ATOM 649 C SER A 43 -29.546 -17.780 -0.947 1.00 23.01 C ATOM 650 O SER A 43 -30.125 -18.855 -0.793 1.00 1.22 O ATOM 651 CB SER A 43 -29.917 -16.406 1.114 1.00 14.53 C ATOM 652 OG SER A 43 -29.305 -15.580 2.090 1.00 21.44 O ATOM 0 H SER A 43 -28.199 -15.103 -0.038 1.00 30.43 H new ATOM 0 HA SER A 43 -28.317 -17.805 0.807 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.596 -15.811 0.503 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.518 -17.171 1.605 1.00 14.53 H new ATOM 0 HG SER A 43 -29.996 -15.165 2.648 1.00 21.44 H new ATOM 658 N GLN A 44 -29.445 -17.172 -2.126 1.00 22.21 N ATOM 659 CA GLN A 44 -29.998 -17.741 -3.347 1.00 35.52 C ATOM 660 C GLN A 44 -29.149 -18.918 -3.830 1.00 53.44 C ATOM 661 O GLN A 44 -29.486 -19.577 -4.814 1.00 5.22 O ATOM 662 CB GLN A 44 -30.077 -16.666 -4.431 1.00 53.01 C ATOM 663 CG GLN A 44 -30.870 -15.444 -4.005 1.00 53.14 C ATOM 664 CD GLN A 44 -30.749 -14.297 -4.985 1.00 12.44 C ATOM 665 OE1 GLN A 44 -29.842 -13.473 -4.879 1.00 4.51 O ATOM 666 NE2 GLN A 44 -31.673 -14.226 -5.932 1.00 42.54 N ATOM 0 H GLN A 44 -28.979 -16.275 -2.260 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.002 -18.110 -3.135 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.067 -16.359 -4.703 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -30.532 -17.093 -5.325 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -31.920 -15.716 -3.899 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -30.525 -15.116 -3.024 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -32.407 -14.932 -5.982 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -31.650 -13.465 -6.611 1.00 42.54 H new ATOM 675 N PHE A 45 -28.033 -19.157 -3.146 1.00 2.34 N ATOM 676 CA PHE A 45 -27.197 -20.319 -3.420 1.00 54.05 C ATOM 677 C PHE A 45 -27.158 -21.243 -2.205 1.00 52.21 C ATOM 678 O PHE A 45 -26.387 -22.201 -2.162 1.00 54.32 O ATOM 679 CB PHE A 45 -25.777 -19.886 -3.801 1.00 21.10 C ATOM 680 CG PHE A 45 -25.699 -19.176 -5.122 1.00 62.12 C ATOM 681 CD1 PHE A 45 -25.590 -19.895 -6.301 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.731 -17.792 -5.186 1.00 52.02 C ATOM 683 CE1 PHE A 45 -25.517 -19.247 -7.519 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.659 -17.141 -6.401 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.552 -17.869 -7.570 1.00 32.51 C ATOM 0 H PHE A 45 -27.687 -18.558 -2.396 1.00 2.34 H new ATOM 0 HA PHE A 45 -27.630 -20.862 -4.260 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.385 -19.232 -3.023 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.134 -20.766 -3.832 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -25.562 -20.974 -6.268 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.813 -17.217 -4.276 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.433 -19.819 -8.431 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.686 -16.062 -6.438 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.496 -17.361 -8.521 1.00 32.51 H new ATOM 695 N GLN A 46 -28.006 -20.953 -1.225 1.00 72.45 N ATOM 696 CA GLN A 46 -28.043 -21.721 0.014 1.00 75.13 C ATOM 697 C GLN A 46 -29.395 -22.400 0.170 1.00 33.34 C ATOM 698 O GLN A 46 -30.434 -21.793 -0.094 1.00 13.13 O ATOM 699 CB GLN A 46 -27.782 -20.806 1.210 1.00 64.41 C ATOM 700 CG GLN A 46 -26.481 -20.028 1.107 1.00 21.44 C ATOM 701 CD GLN A 46 -26.310 -19.039 2.239 1.00 44.02 C ATOM 702 OE1 GLN A 46 -27.288 -18.530 2.785 1.00 34.13 O ATOM 703 NE2 GLN A 46 -25.068 -18.758 2.594 1.00 64.01 N ATOM 0 H GLN A 46 -28.680 -20.188 -1.265 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.265 -22.483 -0.026 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -28.609 -20.103 1.307 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -27.766 -21.406 2.120 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -25.643 -20.725 1.107 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -26.453 -19.496 0.156 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -24.287 -19.204 2.113 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -24.891 -18.095 3.349 1.00 64.01 H new ATOM 712 N GLY A 47 -29.379 -23.662 0.584 1.00 61.23 N ATOM 713 CA GLY A 47 -30.612 -24.418 0.731 1.00 30.52 C ATOM 714 C GLY A 47 -31.214 -24.814 -0.606 1.00 5.25 C ATOM 715 O GLY A 47 -32.246 -25.484 -0.661 1.00 33.03 O ATOM 0 H GLY A 47 -28.532 -24.178 0.822 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -30.416 -25.315 1.318 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.335 -23.823 1.289 1.00 30.52 H new ATOM 719 N LYS A 48 -30.574 -24.385 -1.681 1.00 74.22 N ATOM 720 CA LYS A 48 -31.025 -24.680 -3.027 1.00 25.13 C ATOM 721 C LYS A 48 -30.648 -26.097 -3.434 1.00 55.24 C ATOM 722 O LYS A 48 -30.062 -26.848 -2.655 1.00 42.13 O ATOM 723 CB LYS A 48 -30.391 -23.688 -3.998 1.00 2.30 C ATOM 724 CG LYS A 48 -30.540 -22.233 -3.582 1.00 31.41 C ATOM 725 CD LYS A 48 -31.948 -21.709 -3.811 1.00 43.32 C ATOM 726 CE LYS A 48 -32.934 -22.181 -2.755 1.00 50.32 C ATOM 727 NZ LYS A 48 -34.332 -21.861 -3.138 1.00 10.22 N ATOM 0 H LYS A 48 -29.725 -23.821 -1.643 1.00 74.22 H new ATOM 0 HA LYS A 48 -32.111 -24.593 -3.054 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.331 -23.920 -4.097 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -30.840 -23.821 -4.982 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.284 -22.131 -2.527 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -29.832 -21.623 -4.143 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.928 -20.619 -3.820 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -32.294 -22.030 -4.793 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -32.831 -23.257 -2.614 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.700 -21.710 -1.800 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.980 -22.196 -2.397 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -34.435 -20.832 -3.249 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -34.562 -22.331 -4.037 1.00 10.22 H new ATOM 741 N SER A 49 -30.993 -26.460 -4.654 1.00 13.41 N ATOM 742 CA SER A 49 -30.606 -27.743 -5.200 1.00 51.51 C ATOM 743 C SER A 49 -29.471 -27.550 -6.197 1.00 12.24 C ATOM 744 O SER A 49 -29.431 -26.543 -6.907 1.00 74.40 O ATOM 745 CB SER A 49 -31.810 -28.411 -5.866 1.00 73.24 C ATOM 746 OG SER A 49 -32.885 -28.516 -4.949 1.00 23.44 O ATOM 0 H SER A 49 -31.543 -25.880 -5.287 1.00 13.41 H new ATOM 0 HA SER A 49 -30.257 -28.393 -4.397 1.00 51.51 H new ATOM 0 HB2 SER A 49 -32.120 -27.832 -6.736 1.00 73.24 H new ATOM 0 HB3 SER A 49 -31.532 -29.402 -6.225 1.00 73.24 H new ATOM 0 HG SER A 49 -33.649 -28.944 -5.389 1.00 23.44 H new ATOM 752 N LYS A 50 -28.549 -28.508 -6.234 1.00 4.42 N ATOM 753 CA LYS A 50 -27.394 -28.439 -7.125 1.00 71.43 C ATOM 754 C LYS A 50 -27.806 -28.182 -8.565 1.00 23.45 C ATOM 755 O LYS A 50 -27.136 -27.445 -9.284 1.00 32.41 O ATOM 756 CB LYS A 50 -26.587 -29.732 -7.055 1.00 4.10 C ATOM 757 CG LYS A 50 -25.721 -29.848 -5.815 1.00 64.11 C ATOM 758 CD LYS A 50 -24.698 -28.726 -5.751 1.00 23.40 C ATOM 759 CE LYS A 50 -23.676 -28.962 -4.655 1.00 14.31 C ATOM 760 NZ LYS A 50 -22.759 -30.089 -4.984 1.00 52.11 N ATOM 0 H LYS A 50 -28.580 -29.346 -5.654 1.00 4.42 H new ATOM 0 HA LYS A 50 -26.780 -27.603 -6.789 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -27.272 -30.579 -7.089 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -25.952 -29.801 -7.938 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -26.350 -29.821 -4.925 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -25.209 -30.810 -5.815 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -24.189 -28.642 -6.711 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -25.207 -27.778 -5.576 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -23.094 -28.054 -4.500 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -24.191 -29.175 -3.718 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -21.941 -30.070 -4.341 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -23.265 -30.991 -4.875 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -22.430 -29.993 -5.966 1.00 52.11 H new ATOM 774 N LEU A 51 -28.904 -28.797 -8.983 1.00 35.35 N ATOM 775 CA LEU A 51 -29.393 -28.641 -10.346 1.00 23.42 C ATOM 776 C LEU A 51 -29.593 -27.166 -10.683 1.00 5.20 C ATOM 777 O LEU A 51 -29.103 -26.689 -11.705 1.00 63.51 O ATOM 778 CB LEU A 51 -30.704 -29.409 -10.539 1.00 12.31 C ATOM 779 CG LEU A 51 -30.612 -30.921 -10.306 1.00 32.31 C ATOM 780 CD1 LEU A 51 -31.979 -31.572 -10.465 1.00 43.12 C ATOM 781 CD2 LEU A 51 -29.604 -31.546 -11.263 1.00 32.51 C ATOM 0 H LEU A 51 -29.473 -29.409 -8.398 1.00 35.35 H new ATOM 0 HA LEU A 51 -28.644 -29.052 -11.023 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -31.451 -28.997 -9.861 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -31.063 -29.235 -11.553 1.00 12.31 H new ATOM 0 HG LEU A 51 -30.270 -31.093 -9.285 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -31.893 -32.645 -10.296 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -32.672 -31.145 -9.740 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -32.352 -31.393 -11.473 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -29.550 -32.620 -11.085 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -29.917 -31.364 -12.291 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -28.622 -31.102 -11.099 1.00 32.51 H new ATOM 793 N GLU A 52 -30.283 -26.449 -9.799 1.00 71.20 N ATOM 794 CA GLU A 52 -30.532 -25.022 -9.983 1.00 3.31 C ATOM 795 C GLU A 52 -29.219 -24.262 -10.116 1.00 30.12 C ATOM 796 O GLU A 52 -29.060 -23.426 -11.001 1.00 1.51 O ATOM 797 CB GLU A 52 -31.319 -24.460 -8.799 1.00 30.33 C ATOM 798 CG GLU A 52 -32.633 -25.174 -8.542 1.00 23.32 C ATOM 799 CD GLU A 52 -33.537 -25.179 -9.755 1.00 25.24 C ATOM 800 OE1 GLU A 52 -34.172 -24.140 -10.033 1.00 33.02 O ATOM 801 OE2 GLU A 52 -33.613 -26.218 -10.432 1.00 61.13 O ATOM 0 H GLU A 52 -30.681 -26.836 -8.944 1.00 71.20 H new ATOM 0 HA GLU A 52 -31.114 -24.898 -10.896 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -30.702 -24.521 -7.903 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -31.519 -23.403 -8.977 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -32.431 -26.201 -8.239 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -33.148 -24.692 -7.711 1.00 23.32 H new ATOM 808 N GLN A 53 -28.278 -24.579 -9.236 1.00 12.11 N ATOM 809 CA GLN A 53 -26.986 -23.908 -9.209 1.00 42.34 C ATOM 810 C GLN A 53 -26.230 -24.117 -10.517 1.00 43.01 C ATOM 811 O GLN A 53 -25.717 -23.161 -11.104 1.00 50.30 O ATOM 812 CB GLN A 53 -26.161 -24.421 -8.034 1.00 43.04 C ATOM 813 CG GLN A 53 -26.810 -24.156 -6.689 1.00 62.32 C ATOM 814 CD GLN A 53 -26.099 -24.852 -5.552 1.00 34.52 C ATOM 815 OE1 GLN A 53 -26.712 -25.205 -4.548 1.00 70.33 O ATOM 816 NE2 GLN A 53 -24.801 -25.066 -5.704 1.00 33.33 N ATOM 0 H GLN A 53 -28.388 -25.303 -8.526 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.157 -22.838 -9.088 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -26.003 -25.493 -8.149 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -25.178 -23.950 -8.055 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.823 -23.082 -6.501 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -27.848 -24.486 -6.720 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -24.329 -24.757 -6.554 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.273 -25.540 -4.971 1.00 33.33 H new ATOM 825 N HIS A 54 -26.180 -25.365 -10.980 1.00 11.40 N ATOM 826 CA HIS A 54 -25.521 -25.684 -12.244 1.00 50.22 C ATOM 827 C HIS A 54 -26.181 -24.919 -13.378 1.00 75.33 C ATOM 828 O HIS A 54 -25.506 -24.307 -14.197 1.00 22.05 O ATOM 829 CB HIS A 54 -25.566 -27.191 -12.542 1.00 60.03 C ATOM 830 CG HIS A 54 -24.754 -28.032 -11.606 1.00 0.23 C ATOM 831 ND1 HIS A 54 -25.322 -28.876 -10.680 1.00 44.12 N ATOM 832 CD2 HIS A 54 -23.414 -28.166 -11.459 1.00 72.31 C ATOM 833 CE1 HIS A 54 -24.375 -29.489 -10.002 1.00 21.24 C ATOM 834 NE2 HIS A 54 -23.205 -29.080 -10.454 1.00 73.11 N ATOM 0 H HIS A 54 -26.586 -26.168 -10.501 1.00 11.40 H new ATOM 0 HA HIS A 54 -24.475 -25.389 -12.158 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -26.603 -27.525 -12.505 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -25.214 -27.358 -13.560 1.00 60.03 H new ATOM 0 HD1 HIS A 54 -26.324 -29.007 -10.540 1.00 44.12 H new ATOM 0 HD2 HIS A 54 -22.652 -27.651 -12.026 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -24.530 -30.206 -9.209 1.00 21.24 H new ATOM 843 N ARG A 55 -27.510 -24.943 -13.395 1.00 60.31 N ATOM 844 CA ARG A 55 -28.295 -24.242 -14.406 1.00 40.14 C ATOM 845 C ARG A 55 -27.975 -22.756 -14.428 1.00 43.34 C ATOM 846 O ARG A 55 -27.703 -22.186 -15.487 1.00 3.25 O ATOM 847 CB ARG A 55 -29.788 -24.424 -14.133 1.00 52.11 C ATOM 848 CG ARG A 55 -30.301 -25.827 -14.426 1.00 35.13 C ATOM 849 CD ARG A 55 -31.722 -26.029 -13.922 1.00 61.41 C ATOM 850 NE ARG A 55 -32.157 -27.417 -14.085 1.00 74.14 N ATOM 851 CZ ARG A 55 -33.333 -27.893 -13.672 1.00 14.23 C ATOM 852 NH1 ARG A 55 -34.181 -27.108 -13.021 1.00 74.13 N ATOM 853 NH2 ARG A 55 -33.648 -29.165 -13.892 1.00 52.14 N ATOM 0 H ARG A 55 -28.072 -25.448 -12.710 1.00 60.31 H new ATOM 0 HA ARG A 55 -28.037 -24.669 -15.375 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.988 -24.185 -13.089 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -30.348 -23.709 -14.737 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -30.268 -26.009 -15.500 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -29.643 -26.559 -13.958 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -31.779 -25.750 -12.870 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -32.399 -25.369 -14.464 1.00 61.41 H new ATOM 0 HE ARG A 55 -31.518 -28.064 -14.546 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -33.935 -26.136 -12.834 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -35.079 -27.476 -12.707 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -32.991 -29.777 -14.376 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -34.547 -29.530 -13.577 1.00 52.14 H new ATOM 867 N MET A 56 -28.004 -22.136 -13.256 1.00 5.13 N ATOM 868 CA MET A 56 -27.803 -20.701 -13.156 1.00 13.24 C ATOM 869 C MET A 56 -26.410 -20.301 -13.635 1.00 73.24 C ATOM 870 O MET A 56 -26.267 -19.392 -14.455 1.00 12.14 O ATOM 871 CB MET A 56 -28.026 -20.205 -11.724 1.00 12.34 C ATOM 872 CG MET A 56 -29.475 -20.277 -11.266 1.00 75.15 C ATOM 873 SD MET A 56 -29.717 -19.635 -9.593 1.00 61.02 S ATOM 874 CE MET A 56 -28.727 -20.780 -8.638 1.00 11.14 C ATOM 0 H MET A 56 -28.165 -22.605 -12.365 1.00 5.13 H new ATOM 0 HA MET A 56 -28.541 -20.229 -13.804 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.411 -20.796 -11.045 1.00 12.34 H new ATOM 0 HB3 MET A 56 -27.682 -19.173 -11.649 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.098 -19.713 -11.960 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.812 -21.313 -11.304 1.00 75.15 H new ATOM 0 HE1 MET A 56 -28.875 -20.590 -7.575 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.028 -21.802 -8.870 1.00 11.14 H new ATOM 0 HE3 MET A 56 -27.674 -20.646 -8.887 1.00 11.14 H new ATOM 884 N ILE A 57 -25.387 -20.988 -13.134 1.00 55.45 N ATOM 885 CA ILE A 57 -24.010 -20.697 -13.531 1.00 13.21 C ATOM 886 C ILE A 57 -23.811 -20.995 -15.014 1.00 34.43 C ATOM 887 O ILE A 57 -23.143 -20.250 -15.726 1.00 62.10 O ATOM 888 CB ILE A 57 -22.989 -21.513 -12.706 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.214 -21.281 -11.206 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.560 -21.136 -13.098 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.317 -22.115 -10.316 1.00 2.10 C ATOM 0 H ILE A 57 -25.483 -21.745 -12.457 1.00 55.45 H new ATOM 0 HA ILE A 57 -23.837 -19.638 -13.339 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.135 -22.572 -12.920 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.052 -20.226 -10.983 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.254 -21.501 -10.966 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.854 -21.720 -12.507 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.406 -21.344 -14.157 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.399 -20.074 -12.910 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.535 -21.895 -9.271 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.495 -23.173 -10.509 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.274 -21.878 -10.526 1.00 2.10 H new ATOM 903 N TYR A 58 -24.422 -22.077 -15.476 1.00 15.22 N ATOM 904 CA TYR A 58 -24.327 -22.478 -16.874 1.00 4.35 C ATOM 905 C TYR A 58 -24.995 -21.441 -17.775 1.00 73.40 C ATOM 906 O TYR A 58 -24.574 -21.226 -18.912 1.00 43.54 O ATOM 907 CB TYR A 58 -24.978 -23.850 -17.061 1.00 3.41 C ATOM 908 CG TYR A 58 -24.675 -24.523 -18.381 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.377 -24.892 -18.715 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.690 -24.805 -19.283 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.102 -25.527 -19.912 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.422 -25.437 -20.483 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.127 -25.795 -20.793 1.00 54.23 C ATOM 914 OH TYR A 58 -23.858 -26.430 -21.986 1.00 40.03 O ATOM 0 H TYR A 58 -24.992 -22.696 -14.900 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.276 -22.543 -17.154 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.652 -24.504 -16.253 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -26.058 -23.740 -16.965 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.571 -24.679 -18.029 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.706 -24.526 -19.044 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.089 -25.812 -20.155 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.224 -25.649 -21.175 1.00 44.13 H new ATOM 0 HH TYR A 58 -24.690 -26.545 -22.491 1.00 40.03 H new ATOM 924 N LYS A 59 -26.037 -20.794 -17.258 1.00 73.42 N ATOM 925 CA LYS A 59 -26.773 -19.800 -18.027 1.00 51.11 C ATOM 926 C LYS A 59 -26.029 -18.467 -18.065 1.00 44.10 C ATOM 927 O LYS A 59 -26.006 -17.794 -19.094 1.00 22.41 O ATOM 928 CB LYS A 59 -28.180 -19.595 -17.453 1.00 13.12 C ATOM 929 CG LYS A 59 -29.108 -18.856 -18.401 1.00 73.15 C ATOM 930 CD LYS A 59 -29.249 -19.611 -19.711 1.00 61.04 C ATOM 931 CE LYS A 59 -30.122 -18.868 -20.706 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.252 -19.619 -21.982 1.00 73.34 N ATOM 0 H LYS A 59 -26.388 -20.941 -16.312 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.860 -20.176 -19.046 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.613 -20.566 -17.213 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -28.107 -19.039 -16.518 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.087 -18.735 -17.938 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -28.720 -17.856 -18.592 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -28.262 -19.772 -20.144 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -29.677 -20.595 -19.518 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.110 -18.706 -20.275 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -29.695 -17.885 -20.903 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -30.854 -19.084 -22.640 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.311 -19.751 -22.404 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.682 -20.548 -21.796 1.00 73.34 H new ATOM 946 N VAL A 60 -25.425 -18.076 -16.951 1.00 40.42 N ATOM 947 CA VAL A 60 -24.676 -16.826 -16.917 1.00 13.04 C ATOM 948 C VAL A 60 -23.350 -16.971 -17.667 1.00 62.12 C ATOM 949 O VAL A 60 -22.833 -16.005 -18.227 1.00 21.20 O ATOM 950 CB VAL A 60 -24.431 -16.316 -15.477 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.753 -16.002 -14.792 1.00 54.03 C ATOM 952 CG2 VAL A 60 -23.632 -17.318 -14.659 1.00 74.32 C ATOM 0 H VAL A 60 -25.437 -18.595 -16.073 1.00 40.42 H new ATOM 0 HA VAL A 60 -25.290 -16.078 -17.418 1.00 13.04 H new ATOM 0 HB VAL A 60 -23.844 -15.400 -15.544 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.563 -15.645 -13.780 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.281 -15.233 -15.355 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.364 -16.904 -14.749 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -23.479 -16.927 -13.653 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -24.178 -18.260 -14.603 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -22.665 -17.487 -15.134 1.00 74.32 H new ATOM 962 N LEU A 61 -22.828 -18.194 -17.706 1.00 32.20 N ATOM 963 CA LEU A 61 -21.625 -18.499 -18.476 1.00 23.13 C ATOM 964 C LEU A 61 -21.992 -18.937 -19.893 1.00 43.05 C ATOM 965 O LEU A 61 -21.248 -19.671 -20.545 1.00 70.44 O ATOM 966 CB LEU A 61 -20.801 -19.589 -17.778 1.00 21.35 C ATOM 967 CG LEU A 61 -19.717 -19.092 -16.812 1.00 63.31 C ATOM 968 CD1 LEU A 61 -18.738 -18.178 -17.531 1.00 14.42 C ATOM 969 CD2 LEU A 61 -20.331 -18.380 -15.617 1.00 52.20 C ATOM 0 H LEU A 61 -23.222 -18.994 -17.211 1.00 32.20 H new ATOM 0 HA LEU A 61 -21.020 -17.594 -18.539 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -21.483 -20.236 -17.227 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.326 -20.204 -18.542 1.00 21.35 H new ATOM 0 HG LEU A 61 -19.173 -19.962 -16.443 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -17.977 -17.836 -16.829 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -18.262 -18.724 -18.345 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.272 -17.318 -17.934 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -19.539 -18.039 -14.950 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -20.909 -17.523 -15.962 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -20.986 -19.067 -15.081 1.00 52.20 H new ATOM 981 N ASP A 62 -23.137 -18.458 -20.369 1.00 51.31 N ATOM 982 CA ASP A 62 -23.611 -18.752 -21.722 1.00 11.45 C ATOM 983 C ASP A 62 -22.639 -18.223 -22.767 1.00 35.13 C ATOM 984 O ASP A 62 -22.431 -18.833 -23.818 1.00 45.22 O ATOM 985 CB ASP A 62 -24.996 -18.135 -21.931 1.00 14.42 C ATOM 986 CG ASP A 62 -25.469 -18.213 -23.367 1.00 30.25 C ATOM 987 OD1 ASP A 62 -25.941 -19.289 -23.789 1.00 3.33 O ATOM 988 OD2 ASP A 62 -25.397 -17.186 -24.074 1.00 64.21 O ATOM 0 H ASP A 62 -23.762 -17.857 -19.832 1.00 51.31 H new ATOM 0 HA ASP A 62 -23.676 -19.834 -21.837 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.715 -18.645 -21.289 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -24.973 -17.091 -21.618 1.00 14.42 H new ATOM 993 N GLY A 63 -22.031 -17.099 -22.455 1.00 4.15 N ATOM 994 CA GLY A 63 -21.065 -16.498 -23.349 1.00 43.43 C ATOM 995 C GLY A 63 -19.647 -16.855 -22.961 1.00 33.13 C ATOM 996 O GLY A 63 -18.794 -15.977 -22.814 1.00 43.24 O ATOM 0 H GLY A 63 -22.188 -16.583 -21.589 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -21.258 -16.830 -24.369 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.184 -15.415 -23.338 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.400 -18.146 -22.776 1.00 51.34 N ATOM 1001 CA LEU A 64 -18.085 -18.624 -22.375 1.00 3.45 C ATOM 1002 C LEU A 64 -17.096 -18.536 -23.532 1.00 42.35 C ATOM 1003 O LEU A 64 -17.480 -18.589 -24.702 1.00 0.34 O ATOM 1004 CB LEU A 64 -18.176 -20.058 -21.826 1.00 54.54 C ATOM 1005 CG LEU A 64 -18.858 -21.093 -22.732 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -17.895 -21.631 -23.782 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -19.426 -22.230 -21.901 1.00 63.23 C ATOM 0 H LEU A 64 -20.096 -18.882 -22.898 1.00 51.34 H new ATOM 0 HA LEU A 64 -17.715 -17.981 -21.577 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -17.166 -20.406 -21.610 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -18.713 -20.028 -20.878 1.00 54.54 H new ATOM 0 HG LEU A 64 -19.676 -20.595 -23.253 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -18.409 -22.361 -24.407 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -17.538 -20.810 -24.403 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -17.048 -22.108 -23.289 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -19.906 -22.956 -22.557 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -18.620 -22.716 -21.350 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -20.160 -21.836 -21.198 1.00 63.23 H new ATOM 1019 N ASN A 65 -15.828 -18.386 -23.196 1.00 64.21 N ATOM 1020 CA ASN A 65 -14.774 -18.292 -24.193 1.00 60.20 C ATOM 1021 C ASN A 65 -13.649 -19.257 -23.839 1.00 64.31 C ATOM 1022 O ASN A 65 -13.798 -20.084 -22.938 1.00 34.35 O ATOM 1023 CB ASN A 65 -14.239 -16.858 -24.289 1.00 11.43 C ATOM 1024 CG ASN A 65 -13.692 -16.343 -22.971 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -12.532 -16.566 -22.638 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -14.518 -15.632 -22.220 1.00 54.41 N ATOM 0 H ASN A 65 -15.500 -18.326 -22.232 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.186 -18.562 -25.166 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -13.453 -16.818 -25.043 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -15.039 -16.199 -24.627 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -14.197 -15.248 -21.331 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -15.476 -15.468 -22.530 1.00 54.41 H new ATOM 1033 N ILE A 66 -12.527 -19.151 -24.535 1.00 12.30 N ATOM 1034 CA ILE A 66 -11.411 -20.061 -24.315 1.00 41.44 C ATOM 1035 C ILE A 66 -10.548 -19.608 -23.126 1.00 2.50 C ATOM 1036 O ILE A 66 -9.424 -19.126 -23.278 1.00 31.11 O ATOM 1037 CB ILE A 66 -10.560 -20.240 -25.603 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -9.390 -21.195 -25.359 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -10.063 -18.899 -26.128 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -9.815 -22.573 -24.900 1.00 65.41 C ATOM 0 H ILE A 66 -12.364 -18.447 -25.255 1.00 12.30 H new ATOM 0 HA ILE A 66 -11.827 -21.037 -24.064 1.00 41.44 H new ATOM 0 HB ILE A 66 -11.203 -20.680 -26.365 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -8.812 -21.290 -26.278 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -8.728 -20.760 -24.610 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -9.471 -19.058 -27.029 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -10.915 -18.261 -26.362 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -9.446 -18.417 -25.369 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -8.932 -23.194 -24.748 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -10.367 -22.490 -23.964 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -10.452 -23.028 -25.658 1.00 65.41 H new ATOM 1052 N HIS A 67 -11.111 -19.750 -21.935 1.00 15.31 N ATOM 1053 CA HIS A 67 -10.416 -19.431 -20.692 1.00 41.12 C ATOM 1054 C HIS A 67 -10.908 -20.358 -19.585 1.00 13.15 C ATOM 1055 O HIS A 67 -11.716 -21.253 -19.837 1.00 11.25 O ATOM 1056 CB HIS A 67 -10.631 -17.963 -20.291 1.00 61.24 C ATOM 1057 CG HIS A 67 -9.631 -17.011 -20.884 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -9.628 -16.332 -22.056 1.00 61.32 N flip ATOM 1059 CD2 HIS A 67 -8.464 -16.661 -20.243 1.00 73.33 C flip ATOM 1060 CE1 HIS A 67 -8.470 -15.594 -22.099 1.00 43.30 C flip ATOM 1061 NE2 HIS A 67 -7.788 -15.811 -20.990 1.00 5.34 N flip ATOM 0 H HIS A 67 -12.063 -20.090 -21.801 1.00 15.31 H new ATOM 0 HA HIS A 67 -9.347 -19.578 -20.846 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -11.632 -17.657 -20.596 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -10.591 -17.885 -19.205 1.00 61.24 H new ATOM 0 HD1 HIS A 67 -10.352 -16.363 -22.774 1.00 61.32 H new ATOM 0 HD2 HIS A 67 -8.150 -17.027 -19.276 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -8.168 -14.944 -22.907 1.00 43.30 H new ATOM 1070 N ALA A 68 -10.418 -20.151 -18.367 1.00 1.04 N ATOM 1071 CA ALA A 68 -10.801 -20.991 -17.239 1.00 21.21 C ATOM 1072 C ALA A 68 -11.985 -20.390 -16.488 1.00 64.03 C ATOM 1073 O ALA A 68 -12.194 -19.173 -16.510 1.00 11.40 O ATOM 1074 CB ALA A 68 -9.619 -21.177 -16.299 1.00 11.23 C ATOM 0 H ALA A 68 -9.756 -19.410 -18.137 1.00 1.04 H new ATOM 0 HA ALA A 68 -11.103 -21.964 -17.625 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -9.917 -21.806 -15.460 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -8.798 -21.653 -16.836 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -9.294 -20.206 -15.927 1.00 11.23 H new ATOM 1080 N ILE A 69 -12.758 -21.247 -15.829 1.00 52.42 N ATOM 1081 CA ILE A 69 -13.890 -20.793 -15.031 1.00 0.05 C ATOM 1082 C ILE A 69 -13.401 -20.023 -13.811 1.00 34.51 C ATOM 1083 O ILE A 69 -12.314 -20.283 -13.293 1.00 0.24 O ATOM 1084 CB ILE A 69 -14.798 -21.962 -14.582 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -14.006 -22.986 -13.763 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -15.439 -22.623 -15.795 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -14.858 -24.104 -13.202 1.00 43.35 C ATOM 0 H ILE A 69 -12.621 -22.258 -15.832 1.00 52.42 H new ATOM 0 HA ILE A 69 -14.486 -20.137 -15.666 1.00 0.05 H new ATOM 0 HB ILE A 69 -15.586 -21.562 -13.945 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -13.226 -23.416 -14.391 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -13.507 -22.473 -12.941 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -16.076 -23.445 -15.467 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -16.040 -21.890 -16.334 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -14.660 -23.008 -16.453 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -14.230 -24.790 -12.634 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -15.622 -23.686 -12.547 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -15.336 -24.642 -14.020 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.203 -19.071 -13.359 1.00 62.22 N ATOM 1100 CA GLN A 70 -13.776 -18.161 -12.307 1.00 45.13 C ATOM 1101 C GLN A 70 -14.935 -17.767 -11.393 1.00 54.23 C ATOM 1102 O GLN A 70 -14.926 -16.694 -10.793 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.139 -16.924 -12.949 1.00 3.32 C ATOM 1104 CG GLN A 70 -13.987 -16.292 -14.046 1.00 45.50 C ATOM 1105 CD GLN A 70 -13.190 -15.358 -14.937 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -12.226 -14.736 -14.506 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -13.586 -15.264 -16.195 1.00 43.43 N ATOM 0 H GLN A 70 -15.150 -18.909 -13.703 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.042 -18.668 -11.680 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -12.952 -16.180 -12.174 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -12.171 -17.201 -13.366 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -14.430 -17.079 -14.656 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -14.809 -15.740 -13.591 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -14.393 -15.798 -16.517 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -13.084 -14.658 -16.844 1.00 43.43 H new ATOM 1116 N ILE A 71 -15.917 -18.649 -11.259 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.062 -18.369 -10.405 1.00 32.34 C ATOM 1118 C ILE A 71 -16.941 -19.097 -9.061 1.00 21.45 C ATOM 1119 O ILE A 71 -16.715 -20.308 -9.009 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.399 -18.725 -11.093 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.571 -18.383 -10.169 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.431 -20.194 -11.498 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.921 -18.449 -10.843 1.00 61.50 C ATOM 0 H ILE A 71 -15.944 -19.555 -11.726 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.062 -17.295 -10.219 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.491 -18.132 -12.003 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -19.565 -19.069 -9.322 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.424 -17.380 -9.768 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.383 -20.418 -11.980 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -17.616 -20.398 -12.192 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.317 -20.818 -10.612 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.700 -18.194 -10.124 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.948 -17.743 -11.673 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.091 -19.458 -11.219 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.070 -18.343 -7.980 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.008 -18.895 -6.633 1.00 11.31 C ATOM 1137 C GLN A 72 -18.312 -18.618 -5.900 1.00 41.51 C ATOM 1138 O GLN A 72 -18.678 -17.467 -5.687 1.00 30.42 O ATOM 1139 CB GLN A 72 -15.845 -18.284 -5.848 1.00 73.05 C ATOM 1140 CG GLN A 72 -14.486 -18.500 -6.492 1.00 75.12 C ATOM 1141 CD GLN A 72 -13.361 -17.855 -5.708 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.552 -16.837 -5.045 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -12.178 -18.442 -5.784 1.00 23.21 N ATOM 0 H GLN A 72 -17.220 -17.335 -8.010 1.00 4.42 H new ATOM 0 HA GLN A 72 -16.851 -19.971 -6.712 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.017 -17.213 -5.737 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -15.833 -18.711 -4.845 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.296 -19.570 -6.580 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -14.499 -18.094 -7.503 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -12.062 -19.286 -6.346 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -11.381 -18.051 -5.281 1.00 23.21 H new ATOM 1152 N THR A 73 -19.018 -19.667 -5.526 1.00 51.10 N ATOM 1153 CA THR A 73 -20.292 -19.512 -4.847 1.00 71.51 C ATOM 1154 C THR A 73 -20.263 -20.150 -3.463 1.00 31.34 C ATOM 1155 O THR A 73 -19.551 -21.129 -3.234 1.00 0.24 O ATOM 1156 CB THR A 73 -21.434 -20.124 -5.680 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.052 -21.417 -6.168 1.00 14.45 O ATOM 1158 CG2 THR A 73 -21.793 -19.224 -6.851 1.00 60.22 C ATOM 0 H THR A 73 -18.733 -20.634 -5.680 1.00 51.10 H new ATOM 0 HA THR A 73 -20.472 -18.443 -4.731 1.00 71.51 H new ATOM 0 HB THR A 73 -22.307 -20.223 -5.035 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.786 -21.798 -6.695 1.00 14.45 H new ATOM 0 HG21 THR A 73 -22.602 -19.678 -7.424 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.114 -18.252 -6.477 1.00 60.22 H new ATOM 0 HG23 THR A 73 -20.921 -19.096 -7.492 1.00 60.22 H new ATOM 1166 N GLY A 74 -21.015 -19.573 -2.533 1.00 12.20 N ATOM 1167 CA GLY A 74 -21.120 -20.143 -1.202 1.00 10.41 C ATOM 1168 C GLY A 74 -22.359 -21.000 -1.062 1.00 15.25 C ATOM 1169 O GLY A 74 -23.417 -20.510 -0.668 1.00 44.31 O ATOM 0 H GLY A 74 -21.555 -18.720 -2.677 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -20.235 -20.744 -0.991 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -21.145 -19.342 -0.463 1.00 10.41 H new ATOM 1173 N CYS A 75 -22.231 -22.275 -1.393 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.367 -23.182 -1.409 1.00 31.41 C ATOM 1175 C CYS A 75 -23.452 -23.995 -0.124 1.00 22.14 C ATOM 1176 O CYS A 75 -22.556 -24.793 0.178 1.00 42.21 O ATOM 1177 CB CYS A 75 -23.263 -24.126 -2.609 1.00 54.21 C ATOM 1178 SG CYS A 75 -24.460 -25.483 -2.598 1.00 1.04 S ATOM 0 H CYS A 75 -21.345 -22.707 -1.656 1.00 41.31 H new ATOM 0 HA CYS A 75 -24.273 -22.581 -1.490 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -23.396 -23.548 -3.523 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -22.257 -24.545 -2.640 1.00 54.21 H new ATOM 0 HG CYS A 75 -25.560 -25.096 -3.174 1.00 1.04 H new ATOM 1184 N LYS A 76 -24.529 -23.775 0.624 1.00 72.44 N ATOM 1185 CA LYS A 76 -24.855 -24.569 1.791 1.00 24.13 C ATOM 1186 C LYS A 76 -26.163 -24.075 2.394 1.00 65.44 C ATOM 1187 O LYS A 76 -27.214 -24.692 2.121 1.00 51.21 O ATOM 1188 CB LYS A 76 -23.740 -24.510 2.834 1.00 54.32 C ATOM 1189 CG LYS A 76 -23.989 -25.422 4.015 1.00 62.33 C ATOM 1190 CD LYS A 76 -24.384 -26.819 3.558 1.00 31.01 C ATOM 1191 CE LYS A 76 -24.722 -27.722 4.730 1.00 51.33 C ATOM 1192 NZ LYS A 76 -25.527 -28.893 4.297 1.00 72.41 N ATOM 1193 OXT LYS A 76 -26.134 -23.054 3.111 1.00 0.00 O ATOM 0 H LYS A 76 -25.202 -23.033 0.431 1.00 72.44 H new ATOM 0 HA LYS A 76 -24.964 -25.608 1.480 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -22.795 -24.783 2.364 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -23.635 -23.485 3.189 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -23.091 -25.478 4.630 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -24.778 -25.004 4.640 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -25.243 -26.753 2.890 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -23.568 -27.258 2.985 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -23.802 -28.066 5.204 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -25.274 -27.156 5.480 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -25.742 -29.490 5.121 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -26.415 -28.564 3.867 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -24.989 -29.446 3.599 1.00 72.41 H new TER 1207 LYS A 76