USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 86 GLN :FLIP amide:sc= -1.55 F(o=-1.2,f=-0.63) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -179:sc= 0.928 (180deg=0.927) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 162:sc= 0.837 (180deg=-0.988!) USER MOD Set 2.2: A 39 TYR OH : rot 150:sc= -0.0141 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0573) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.25) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.176 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 20 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.034) USER MOD Single : A 27 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -2.27! (180deg=-5.15!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -161:sc= 0.882 USER MOD Single : A 38 SER OG : rot 41:sc= -0.0575 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0342 F(o=-0.75,f=-0.034) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.2) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc=-0.00719 (180deg=-0.093) USER MOD Single : A 59 HIS : no HD1:sc=-0.000726 X(o=-0.00073,f=-0.00073) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 71 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.98) USER MOD Single : A 72 GLN : amide:sc= -1.58! K(o=-1.6!,f=-2.5) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.64 USER MOD Single : A 78 ASN : amide:sc= 1.19 K(o=1.2,f=-0.097) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= 0.792 (180deg=0.13) USER MOD Single : A 85 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 92 MET CE :methyl 161:sc= -0.061 (180deg=-0.468) USER MOD Single : A 96 GLN : amide:sc= -0.573! K(o=-0.57!,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.058 (180deg=-0.396) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.116 K(o=0.12,f=-4.9!) USER MOD Single : A 111 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.0084) USER MOD Single : A 112 HIS : no HD1:sc=-0.00584 X(o=-0.0058,f=-0.0058) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 115 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 116 HIS : no HD1:sc=-0.00423 X(o=-0.0042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.453 -34.711 -7.033 1.00 45.04 N ATOM 2 CA MET A 1 8.640 -33.591 -7.586 1.00 44.40 C ATOM 3 C MET A 1 7.142 -33.934 -7.612 1.00 71.45 C ATOM 4 O MET A 1 6.729 -34.926 -8.213 1.00 34.11 O ATOM 5 CB MET A 1 9.102 -33.237 -9.007 1.00 43.04 C ATOM 6 CG MET A 1 10.538 -32.733 -9.094 1.00 15.30 C ATOM 7 SD MET A 1 10.997 -32.263 -10.775 1.00 44.44 S ATOM 8 CE MET A 1 12.710 -31.788 -10.544 1.00 52.35 C ATOM 0 H1 MET A 1 10.443 -34.407 -6.936 1.00 45.04 H new ATOM 0 H2 MET A 1 9.081 -34.982 -6.100 1.00 45.04 H new ATOM 0 H3 MET A 1 9.403 -35.527 -7.676 1.00 45.04 H new ATOM 0 HA MET A 1 8.788 -32.734 -6.928 1.00 44.40 H new ATOM 0 HB2 MET A 1 9.000 -34.119 -9.640 1.00 43.04 H new ATOM 0 HB3 MET A 1 8.437 -32.475 -9.413 1.00 43.04 H new ATOM 0 HG2 MET A 1 10.661 -31.875 -8.433 1.00 15.30 H new ATOM 0 HG3 MET A 1 11.216 -33.509 -8.738 1.00 15.30 H new ATOM 0 HE1 MET A 1 13.132 -31.472 -11.498 1.00 52.35 H new ATOM 0 HE2 MET A 1 12.766 -30.965 -9.832 1.00 52.35 H new ATOM 0 HE3 MET A 1 13.275 -32.638 -10.161 1.00 52.35 H new ATOM 20 N ALA A 2 6.339 -33.107 -6.946 1.00 33.55 N ATOM 21 CA ALA A 2 4.877 -33.238 -6.972 1.00 12.01 C ATOM 22 C ALA A 2 4.208 -31.918 -6.557 1.00 23.14 C ATOM 23 O ALA A 2 4.053 -31.633 -5.370 1.00 44.43 O ATOM 24 CB ALA A 2 4.425 -34.381 -6.069 1.00 11.41 C ATOM 0 H ALA A 2 6.676 -32.331 -6.376 1.00 33.55 H new ATOM 0 HA ALA A 2 4.571 -33.468 -7.992 1.00 12.01 H new ATOM 0 HB1 ALA A 2 3.339 -34.462 -6.101 1.00 11.41 H new ATOM 0 HB2 ALA A 2 4.869 -35.315 -6.414 1.00 11.41 H new ATOM 0 HB3 ALA A 2 4.744 -34.184 -5.045 1.00 11.41 H new ATOM 30 N ALA A 3 3.834 -31.109 -7.544 1.00 23.13 N ATOM 31 CA ALA A 3 3.268 -29.781 -7.286 1.00 44.24 C ATOM 32 C ALA A 3 1.815 -29.846 -6.783 1.00 33.24 C ATOM 33 O ALA A 3 0.960 -30.502 -7.385 1.00 24.23 O ATOM 34 CB ALA A 3 3.351 -28.925 -8.547 1.00 11.40 C ATOM 0 H ALA A 3 3.911 -31.347 -8.533 1.00 23.13 H new ATOM 0 HA ALA A 3 3.860 -29.326 -6.492 1.00 44.24 H new ATOM 0 HB1 ALA A 3 2.929 -27.940 -8.347 1.00 11.40 H new ATOM 0 HB2 ALA A 3 4.394 -28.818 -8.846 1.00 11.40 H new ATOM 0 HB3 ALA A 3 2.790 -29.404 -9.350 1.00 11.40 H new ATOM 40 N SER A 4 1.547 -29.163 -5.670 1.00 62.23 N ATOM 41 CA SER A 4 0.187 -29.048 -5.122 1.00 32.31 C ATOM 42 C SER A 4 -0.262 -27.578 -5.067 1.00 0.15 C ATOM 43 O SER A 4 -1.413 -27.254 -5.366 1.00 54.20 O ATOM 44 CB SER A 4 0.120 -29.661 -3.717 1.00 3.22 C ATOM 45 OG SER A 4 0.969 -28.973 -2.810 1.00 52.52 O ATOM 0 H SER A 4 2.257 -28.676 -5.123 1.00 62.23 H new ATOM 0 HA SER A 4 -0.486 -29.594 -5.783 1.00 32.31 H new ATOM 0 HB2 SER A 4 -0.907 -29.628 -3.353 1.00 3.22 H new ATOM 0 HB3 SER A 4 0.409 -30.711 -3.762 1.00 3.22 H new ATOM 0 HG SER A 4 0.903 -29.385 -1.923 1.00 52.52 H new ATOM 51 N THR A 5 0.651 -26.690 -4.674 1.00 12.51 N ATOM 52 CA THR A 5 0.367 -25.245 -4.624 1.00 73.22 C ATOM 53 C THR A 5 1.617 -24.424 -4.978 1.00 42.21 C ATOM 54 O THR A 5 2.668 -24.578 -4.354 1.00 43.01 O ATOM 55 CB THR A 5 -0.147 -24.807 -3.227 1.00 23.51 C ATOM 56 OG1 THR A 5 -1.305 -25.575 -2.856 1.00 33.30 O ATOM 57 CG2 THR A 5 -0.499 -23.322 -3.206 1.00 31.10 C ATOM 0 H THR A 5 1.596 -26.940 -4.384 1.00 12.51 H new ATOM 0 HA THR A 5 -0.414 -25.055 -5.360 1.00 73.22 H new ATOM 0 HB THR A 5 0.655 -24.985 -2.511 1.00 23.51 H new ATOM 0 HG1 THR A 5 -1.618 -25.289 -1.972 1.00 33.30 H new ATOM 0 HG21 THR A 5 -0.856 -23.047 -2.214 1.00 31.10 H new ATOM 0 HG22 THR A 5 0.386 -22.735 -3.449 1.00 31.10 H new ATOM 0 HG23 THR A 5 -1.279 -23.123 -3.940 1.00 31.10 H new ATOM 65 N VAL A 6 1.496 -23.548 -5.976 1.00 24.23 N ATOM 66 CA VAL A 6 2.628 -22.734 -6.440 1.00 41.01 C ATOM 67 C VAL A 6 2.957 -21.592 -5.458 1.00 73.14 C ATOM 68 O VAL A 6 4.087 -21.101 -5.420 1.00 25.24 O ATOM 69 CB VAL A 6 2.353 -22.149 -7.853 1.00 35.23 C ATOM 70 CG1 VAL A 6 1.178 -21.177 -7.828 1.00 22.40 C ATOM 71 CG2 VAL A 6 3.607 -21.481 -8.425 1.00 73.22 C ATOM 0 H VAL A 6 0.626 -23.381 -6.481 1.00 24.23 H new ATOM 0 HA VAL A 6 3.492 -23.397 -6.491 1.00 41.01 H new ATOM 0 HB VAL A 6 2.085 -22.977 -8.509 1.00 35.23 H new ATOM 0 HG11 VAL A 6 1.009 -20.784 -8.831 1.00 22.40 H new ATOM 0 HG12 VAL A 6 0.283 -21.697 -7.487 1.00 22.40 H new ATOM 0 HG13 VAL A 6 1.401 -20.354 -7.149 1.00 22.40 H new ATOM 0 HG21 VAL A 6 3.387 -21.080 -9.414 1.00 73.22 H new ATOM 0 HG22 VAL A 6 3.920 -20.671 -7.767 1.00 73.22 H new ATOM 0 HG23 VAL A 6 4.408 -22.216 -8.502 1.00 73.22 H new ATOM 81 N HIS A 7 1.960 -21.186 -4.663 1.00 64.41 N ATOM 82 CA HIS A 7 2.121 -20.109 -3.675 1.00 34.12 C ATOM 83 C HIS A 7 2.387 -18.751 -4.353 1.00 11.44 C ATOM 84 O HIS A 7 3.523 -18.425 -4.698 1.00 32.02 O ATOM 85 CB HIS A 7 3.250 -20.447 -2.681 1.00 45.01 C ATOM 86 CG HIS A 7 3.510 -19.378 -1.663 1.00 72.31 C ATOM 87 ND1 HIS A 7 4.432 -18.371 -1.851 1.00 2.14 N ATOM 88 CD2 HIS A 7 2.974 -19.165 -0.440 1.00 24.52 C ATOM 89 CE1 HIS A 7 4.452 -17.589 -0.794 1.00 0.43 C ATOM 90 NE2 HIS A 7 3.578 -18.045 0.077 1.00 74.43 N ATOM 0 H HIS A 7 1.024 -21.591 -4.685 1.00 64.41 H new ATOM 0 HA HIS A 7 1.184 -20.026 -3.125 1.00 34.12 H new ATOM 0 HB2 HIS A 7 2.999 -21.373 -2.164 1.00 45.01 H new ATOM 0 HB3 HIS A 7 4.167 -20.633 -3.239 1.00 45.01 H new ATOM 0 HD2 HIS A 7 2.214 -19.763 0.040 1.00 24.52 H new ATOM 0 HE1 HIS A 7 5.080 -16.720 -0.663 1.00 0.43 H new ATOM 0 HE2 HIS A 7 3.381 -17.633 0.989 1.00 74.43 H new ATOM 99 N THR A 8 1.328 -17.968 -4.543 1.00 34.11 N ATOM 100 CA THR A 8 1.443 -16.619 -5.115 1.00 15.44 C ATOM 101 C THR A 8 1.352 -15.555 -4.012 1.00 52.11 C ATOM 102 O THR A 8 0.268 -15.275 -3.501 1.00 22.10 O ATOM 103 CB THR A 8 0.340 -16.345 -6.176 1.00 44.32 C ATOM 104 OG1 THR A 8 0.440 -17.281 -7.262 1.00 54.52 O ATOM 105 CG2 THR A 8 0.437 -14.921 -6.725 1.00 73.41 C ATOM 0 H THR A 8 0.374 -18.242 -4.309 1.00 34.11 H new ATOM 0 HA THR A 8 2.416 -16.563 -5.603 1.00 15.44 H new ATOM 0 HB THR A 8 -0.624 -16.464 -5.681 1.00 44.32 H new ATOM 0 HG1 THR A 8 -0.262 -17.095 -7.920 1.00 54.52 H new ATOM 0 HG21 THR A 8 -0.348 -14.762 -7.464 1.00 73.41 H new ATOM 0 HG22 THR A 8 0.318 -14.208 -5.909 1.00 73.41 H new ATOM 0 HG23 THR A 8 1.411 -14.777 -7.193 1.00 73.41 H new ATOM 113 N SER A 9 2.495 -14.980 -3.638 1.00 32.43 N ATOM 114 CA SER A 9 2.536 -13.942 -2.595 1.00 0.34 C ATOM 115 C SER A 9 2.182 -12.565 -3.172 1.00 41.14 C ATOM 116 O SER A 9 1.978 -12.420 -4.378 1.00 34.55 O ATOM 117 CB SER A 9 3.922 -13.887 -1.939 1.00 61.13 C ATOM 118 OG SER A 9 3.951 -12.954 -0.867 1.00 1.41 O ATOM 0 H SER A 9 3.405 -15.211 -4.037 1.00 32.43 H new ATOM 0 HA SER A 9 1.795 -14.204 -1.840 1.00 0.34 H new ATOM 0 HB2 SER A 9 4.191 -14.877 -1.570 1.00 61.13 H new ATOM 0 HB3 SER A 9 4.668 -13.611 -2.684 1.00 61.13 H new ATOM 0 HG SER A 9 4.846 -12.942 -0.468 1.00 1.41 H new ATOM 124 N PHE A 10 2.129 -11.549 -2.313 1.00 45.24 N ATOM 125 CA PHE A 10 1.700 -10.209 -2.729 1.00 31.25 C ATOM 126 C PHE A 10 2.638 -9.119 -2.184 1.00 23.13 C ATOM 127 O PHE A 10 3.112 -9.196 -1.050 1.00 13.34 O ATOM 128 CB PHE A 10 0.259 -9.952 -2.263 1.00 24.42 C ATOM 129 CG PHE A 10 -0.717 -10.997 -2.743 1.00 63.55 C ATOM 130 CD1 PHE A 10 -1.220 -10.956 -4.035 1.00 52.14 C ATOM 131 CD2 PHE A 10 -1.118 -12.029 -1.906 1.00 21.14 C ATOM 132 CE1 PHE A 10 -2.102 -11.920 -4.480 1.00 24.30 C ATOM 133 CE2 PHE A 10 -2.002 -12.994 -2.347 1.00 21.40 C ATOM 134 CZ PHE A 10 -2.492 -12.940 -3.636 1.00 11.21 C ATOM 0 H PHE A 10 2.376 -11.624 -1.326 1.00 45.24 H new ATOM 0 HA PHE A 10 1.741 -10.166 -3.817 1.00 31.25 H new ATOM 0 HB2 PHE A 10 0.237 -9.917 -1.174 1.00 24.42 H new ATOM 0 HB3 PHE A 10 -0.062 -8.973 -2.620 1.00 24.42 H new ATOM 0 HD1 PHE A 10 -0.918 -10.161 -4.700 1.00 52.14 H new ATOM 0 HD2 PHE A 10 -0.734 -12.078 -0.898 1.00 21.14 H new ATOM 0 HE1 PHE A 10 -2.487 -11.876 -5.488 1.00 24.30 H new ATOM 0 HE2 PHE A 10 -2.309 -13.790 -1.684 1.00 21.40 H new ATOM 0 HZ PHE A 10 -3.180 -13.696 -3.984 1.00 11.21 H new ATOM 144 N ILE A 11 2.901 -8.106 -3.009 1.00 34.22 N ATOM 145 CA ILE A 11 3.785 -6.993 -2.640 1.00 71.43 C ATOM 146 C ILE A 11 3.028 -5.655 -2.683 1.00 2.54 C ATOM 147 O ILE A 11 2.158 -5.456 -3.526 1.00 4.05 O ATOM 148 CB ILE A 11 5.004 -6.907 -3.596 1.00 4.22 C ATOM 149 CG1 ILE A 11 5.749 -8.253 -3.652 1.00 23.14 C ATOM 150 CG2 ILE A 11 5.953 -5.787 -3.165 1.00 53.02 C ATOM 151 CD1 ILE A 11 6.976 -8.241 -4.545 1.00 55.25 C ATOM 0 H ILE A 11 2.511 -8.031 -3.948 1.00 34.22 H new ATOM 0 HA ILE A 11 4.135 -7.183 -1.625 1.00 71.43 H new ATOM 0 HB ILE A 11 4.634 -6.678 -4.595 1.00 4.22 H new ATOM 0 HG12 ILE A 11 6.050 -8.533 -2.642 1.00 23.14 H new ATOM 0 HG13 ILE A 11 5.062 -9.022 -4.005 1.00 23.14 H new ATOM 0 HG21 ILE A 11 6.800 -5.745 -3.849 1.00 53.02 H new ATOM 0 HG22 ILE A 11 5.424 -4.834 -3.184 1.00 53.02 H new ATOM 0 HG23 ILE A 11 6.312 -5.983 -2.155 1.00 53.02 H new ATOM 0 HD11 ILE A 11 7.445 -9.225 -4.532 1.00 55.25 H new ATOM 0 HD12 ILE A 11 6.681 -7.993 -5.565 1.00 55.25 H new ATOM 0 HD13 ILE A 11 7.684 -7.496 -4.181 1.00 55.25 H new ATOM 163 N LEU A 12 3.359 -4.743 -1.776 1.00 34.04 N ATOM 164 CA LEU A 12 2.732 -3.416 -1.748 1.00 65.23 C ATOM 165 C LEU A 12 3.662 -2.341 -2.335 1.00 12.32 C ATOM 166 O LEU A 12 4.789 -2.160 -1.868 1.00 60.54 O ATOM 167 CB LEU A 12 2.364 -3.039 -0.309 1.00 51.41 C ATOM 168 CG LEU A 12 1.708 -1.656 -0.142 1.00 12.03 C ATOM 169 CD1 LEU A 12 0.315 -1.632 -0.765 1.00 63.23 C ATOM 170 CD2 LEU A 12 1.656 -1.263 1.329 1.00 43.21 C ATOM 0 H LEU A 12 4.057 -4.893 -1.048 1.00 34.04 H new ATOM 0 HA LEU A 12 1.831 -3.463 -2.360 1.00 65.23 H new ATOM 0 HB2 LEU A 12 1.686 -3.795 0.086 1.00 51.41 H new ATOM 0 HB3 LEU A 12 3.267 -3.071 0.301 1.00 51.41 H new ATOM 0 HG LEU A 12 2.319 -0.923 -0.669 1.00 12.03 H new ATOM 0 HD11 LEU A 12 -0.126 -0.644 -0.633 1.00 63.23 H new ATOM 0 HD12 LEU A 12 0.388 -1.857 -1.829 1.00 63.23 H new ATOM 0 HD13 LEU A 12 -0.314 -2.378 -0.279 1.00 63.23 H new ATOM 0 HD21 LEU A 12 1.189 -0.283 1.427 1.00 43.21 H new ATOM 0 HD22 LEU A 12 1.073 -2.000 1.882 1.00 43.21 H new ATOM 0 HD23 LEU A 12 2.668 -1.225 1.731 1.00 43.21 H new ATOM 182 N LYS A 13 3.192 -1.639 -3.368 1.00 1.12 N ATOM 183 CA LYS A 13 3.915 -0.479 -3.908 1.00 73.13 C ATOM 184 C LYS A 13 3.235 0.833 -3.494 1.00 54.13 C ATOM 185 O LYS A 13 2.009 0.966 -3.568 1.00 1.20 O ATOM 186 CB LYS A 13 4.016 -0.529 -5.440 1.00 0.43 C ATOM 187 CG LYS A 13 4.700 -1.777 -5.989 1.00 20.24 C ATOM 188 CD LYS A 13 5.137 -1.592 -7.443 1.00 44.31 C ATOM 189 CE LYS A 13 4.027 -1.004 -8.314 1.00 64.01 C ATOM 190 NZ LYS A 13 2.818 -1.870 -8.363 1.00 45.10 N ATOM 0 H LYS A 13 2.317 -1.850 -3.848 1.00 1.12 H new ATOM 0 HA LYS A 13 4.921 -0.517 -3.491 1.00 73.13 H new ATOM 0 HB2 LYS A 13 3.012 -0.466 -5.860 1.00 0.43 H new ATOM 0 HB3 LYS A 13 4.561 0.350 -5.784 1.00 0.43 H new ATOM 0 HG2 LYS A 13 5.569 -2.015 -5.376 1.00 20.24 H new ATOM 0 HG3 LYS A 13 4.019 -2.625 -5.919 1.00 20.24 H new ATOM 0 HD2 LYS A 13 6.008 -0.937 -7.477 1.00 44.31 H new ATOM 0 HD3 LYS A 13 5.445 -2.554 -7.852 1.00 44.31 H new ATOM 0 HE2 LYS A 13 3.751 -0.022 -7.930 1.00 64.01 H new ATOM 0 HE3 LYS A 13 4.404 -0.856 -9.326 1.00 64.01 H new ATOM 0 HZ1 LYS A 13 2.005 -1.313 -8.696 1.00 45.10 H new ATOM 0 HZ2 LYS A 13 2.985 -2.663 -9.015 1.00 45.10 H new ATOM 0 HZ3 LYS A 13 2.618 -2.240 -7.412 1.00 45.10 H new ATOM 204 N VAL A 14 4.041 1.800 -3.071 1.00 3.11 N ATOM 205 CA VAL A 14 3.540 3.112 -2.660 1.00 63.44 C ATOM 206 C VAL A 14 4.156 4.233 -3.519 1.00 3.11 C ATOM 207 O VAL A 14 5.343 4.540 -3.405 1.00 14.43 O ATOM 208 CB VAL A 14 3.848 3.374 -1.164 1.00 74.33 C ATOM 209 CG1 VAL A 14 3.347 4.750 -0.733 1.00 15.23 C ATOM 210 CG2 VAL A 14 3.239 2.278 -0.289 1.00 40.15 C ATOM 0 H VAL A 14 5.054 1.701 -3.002 1.00 3.11 H new ATOM 0 HA VAL A 14 2.460 3.112 -2.806 1.00 63.44 H new ATOM 0 HB VAL A 14 4.930 3.356 -1.035 1.00 74.33 H new ATOM 0 HG11 VAL A 14 3.576 4.907 0.321 1.00 15.23 H new ATOM 0 HG12 VAL A 14 3.837 5.519 -1.330 1.00 15.23 H new ATOM 0 HG13 VAL A 14 2.269 4.808 -0.882 1.00 15.23 H new ATOM 0 HG21 VAL A 14 3.466 2.480 0.758 1.00 40.15 H new ATOM 0 HG22 VAL A 14 2.158 2.260 -0.429 1.00 40.15 H new ATOM 0 HG23 VAL A 14 3.658 1.312 -0.571 1.00 40.15 H new ATOM 220 N LEU A 15 3.342 4.836 -4.381 1.00 12.02 N ATOM 221 CA LEU A 15 3.793 5.925 -5.255 1.00 23.15 C ATOM 222 C LEU A 15 3.779 7.261 -4.488 1.00 24.22 C ATOM 223 O LEU A 15 2.727 7.718 -4.035 1.00 11.34 O ATOM 224 CB LEU A 15 2.884 5.998 -6.501 1.00 74.43 C ATOM 225 CG LEU A 15 3.508 6.608 -7.777 1.00 34.22 C ATOM 226 CD1 LEU A 15 2.506 6.575 -8.926 1.00 34.40 C ATOM 227 CD2 LEU A 15 4.000 8.035 -7.540 1.00 70.23 C ATOM 0 H LEU A 15 2.359 4.590 -4.496 1.00 12.02 H new ATOM 0 HA LEU A 15 4.815 5.730 -5.579 1.00 23.15 H new ATOM 0 HB2 LEU A 15 2.546 4.989 -6.736 1.00 74.43 H new ATOM 0 HB3 LEU A 15 1.998 6.579 -6.243 1.00 74.43 H new ATOM 0 HG LEU A 15 4.374 6.001 -8.043 1.00 34.22 H new ATOM 0 HD11 LEU A 15 2.960 7.008 -9.817 1.00 34.40 H new ATOM 0 HD12 LEU A 15 2.219 5.543 -9.129 1.00 34.40 H new ATOM 0 HD13 LEU A 15 1.621 7.150 -8.654 1.00 34.40 H new ATOM 0 HD21 LEU A 15 4.432 8.429 -8.460 1.00 70.23 H new ATOM 0 HD22 LEU A 15 3.163 8.663 -7.235 1.00 70.23 H new ATOM 0 HD23 LEU A 15 4.757 8.033 -6.756 1.00 70.23 H new ATOM 239 N TRP A 16 4.947 7.882 -4.351 1.00 61.24 N ATOM 240 CA TRP A 16 5.082 9.133 -3.597 1.00 60.44 C ATOM 241 C TRP A 16 4.925 10.359 -4.519 1.00 15.34 C ATOM 242 O TRP A 16 5.674 10.521 -5.485 1.00 52.20 O ATOM 243 CB TRP A 16 6.454 9.162 -2.905 1.00 22.34 C ATOM 244 CG TRP A 16 6.510 10.047 -1.696 1.00 31.41 C ATOM 245 CD1 TRP A 16 6.704 11.398 -1.664 1.00 65.34 C ATOM 246 CD2 TRP A 16 6.378 9.627 -0.334 1.00 52.51 C ATOM 247 NE1 TRP A 16 6.696 11.843 -0.363 1.00 51.23 N ATOM 248 CE2 TRP A 16 6.498 10.774 0.471 1.00 23.34 C ATOM 249 CE3 TRP A 16 6.168 8.390 0.280 1.00 31.41 C ATOM 250 CZ2 TRP A 16 6.414 10.718 1.861 1.00 13.32 C ATOM 251 CZ3 TRP A 16 6.086 8.335 1.657 1.00 51.12 C ATOM 252 CH2 TRP A 16 6.207 9.492 2.434 1.00 32.42 C ATOM 0 H TRP A 16 5.820 7.540 -4.753 1.00 61.24 H new ATOM 0 HA TRP A 16 4.291 9.177 -2.848 1.00 60.44 H new ATOM 0 HB2 TRP A 16 6.723 8.147 -2.612 1.00 22.34 H new ATOM 0 HB3 TRP A 16 7.204 9.496 -3.622 1.00 22.34 H new ATOM 0 HD1 TRP A 16 6.843 12.025 -2.532 1.00 65.34 H new ATOM 0 HE1 TRP A 16 6.818 12.811 -0.067 1.00 51.23 H new ATOM 0 HE3 TRP A 16 6.071 7.492 -0.312 1.00 31.41 H new ATOM 0 HZ2 TRP A 16 6.509 11.609 2.464 1.00 13.32 H new ATOM 0 HZ3 TRP A 16 5.926 7.383 2.142 1.00 51.12 H new ATOM 0 HH2 TRP A 16 6.136 9.416 3.509 1.00 32.42 H new ATOM 263 N LEU A 17 3.948 11.217 -4.221 1.00 13.40 N ATOM 264 CA LEU A 17 3.695 12.423 -5.028 1.00 72.44 C ATOM 265 C LEU A 17 4.008 13.709 -4.246 1.00 35.04 C ATOM 266 O LEU A 17 4.425 13.665 -3.089 1.00 4.05 O ATOM 267 CB LEU A 17 2.234 12.447 -5.504 1.00 51.22 C ATOM 268 CG LEU A 17 1.840 11.332 -6.488 1.00 11.32 C ATOM 269 CD1 LEU A 17 0.350 11.402 -6.813 1.00 31.13 C ATOM 270 CD2 LEU A 17 2.676 11.420 -7.765 1.00 11.20 C ATOM 0 H LEU A 17 3.316 11.104 -3.428 1.00 13.40 H new ATOM 0 HA LEU A 17 4.360 12.384 -5.891 1.00 72.44 H new ATOM 0 HB2 LEU A 17 1.585 12.383 -4.631 1.00 51.22 H new ATOM 0 HB3 LEU A 17 2.040 13.410 -5.976 1.00 51.22 H new ATOM 0 HG LEU A 17 2.041 10.371 -6.014 1.00 11.32 H new ATOM 0 HD11 LEU A 17 0.092 10.605 -7.510 1.00 31.13 H new ATOM 0 HD12 LEU A 17 -0.228 11.284 -5.897 1.00 31.13 H new ATOM 0 HD13 LEU A 17 0.121 12.367 -7.264 1.00 31.13 H new ATOM 0 HD21 LEU A 17 2.382 10.623 -8.448 1.00 11.20 H new ATOM 0 HD22 LEU A 17 2.511 12.386 -8.242 1.00 11.20 H new ATOM 0 HD23 LEU A 17 3.732 11.314 -7.517 1.00 11.20 H new ATOM 282 N ASP A 18 3.789 14.853 -4.894 1.00 43.25 N ATOM 283 CA ASP A 18 4.072 16.170 -4.303 1.00 53.41 C ATOM 284 C ASP A 18 3.316 16.384 -2.976 1.00 24.15 C ATOM 285 O ASP A 18 3.924 16.595 -1.922 1.00 14.04 O ATOM 286 CB ASP A 18 3.683 17.269 -5.299 1.00 63.24 C ATOM 287 CG ASP A 18 4.264 17.021 -6.680 1.00 44.04 C ATOM 288 OD1 ASP A 18 3.611 16.315 -7.483 1.00 62.13 O ATOM 289 OD2 ASP A 18 5.379 17.516 -6.959 1.00 2.43 O ATOM 0 H ASP A 18 3.412 14.898 -5.841 1.00 43.25 H new ATOM 0 HA ASP A 18 5.139 16.215 -4.085 1.00 53.41 H new ATOM 0 HB2 ASP A 18 2.597 17.327 -5.368 1.00 63.24 H new ATOM 0 HB3 ASP A 18 4.030 18.233 -4.928 1.00 63.24 H new ATOM 294 N GLN A 19 1.987 16.348 -3.041 1.00 71.31 N ATOM 295 CA GLN A 19 1.140 16.567 -1.858 1.00 43.32 C ATOM 296 C GLN A 19 0.240 15.357 -1.566 1.00 35.30 C ATOM 297 O GLN A 19 -0.581 15.385 -0.644 1.00 14.25 O ATOM 298 CB GLN A 19 0.279 17.825 -2.063 1.00 54.40 C ATOM 299 CG GLN A 19 1.096 19.104 -2.221 1.00 73.52 C ATOM 300 CD GLN A 19 0.233 20.334 -2.449 1.00 21.34 C ATOM 301 OE1 GLN A 19 -0.904 20.409 -1.993 1.00 21.34 O ATOM 302 NE2 GLN A 19 0.768 21.313 -3.149 1.00 22.34 N ATOM 0 H GLN A 19 1.467 16.169 -3.900 1.00 71.31 H new ATOM 0 HA GLN A 19 1.796 16.704 -0.998 1.00 43.32 H new ATOM 0 HB2 GLN A 19 -0.343 17.689 -2.948 1.00 54.40 H new ATOM 0 HB3 GLN A 19 -0.395 17.937 -1.214 1.00 54.40 H new ATOM 0 HG2 GLN A 19 1.704 19.253 -1.328 1.00 73.52 H new ATOM 0 HG3 GLN A 19 1.783 18.989 -3.059 1.00 73.52 H new ATOM 0 HE21 GLN A 19 1.716 21.220 -3.514 1.00 22.34 H new ATOM 0 HE22 GLN A 19 0.235 22.164 -3.326 1.00 22.34 H new ATOM 311 N ASN A 20 0.415 14.285 -2.337 1.00 33.12 N ATOM 312 CA ASN A 20 -0.433 13.089 -2.218 1.00 25.30 C ATOM 313 C ASN A 20 0.398 11.799 -2.255 1.00 12.35 C ATOM 314 O ASN A 20 1.614 11.832 -2.436 1.00 1.13 O ATOM 315 CB ASN A 20 -1.473 13.064 -3.348 1.00 2.45 C ATOM 316 CG ASN A 20 -2.366 14.289 -3.345 1.00 50.22 C ATOM 317 OD1 ASN A 20 -2.060 15.296 -3.972 1.00 70.31 O ATOM 318 ND2 ASN A 20 -3.470 14.219 -2.629 1.00 22.44 N ATOM 0 H ASN A 20 1.137 14.215 -3.054 1.00 33.12 H new ATOM 0 HA ASN A 20 -0.939 13.139 -1.254 1.00 25.30 H new ATOM 0 HB2 ASN A 20 -0.960 12.995 -4.307 1.00 2.45 H new ATOM 0 HB3 ASN A 20 -2.089 12.170 -3.251 1.00 2.45 H new ATOM 0 HD21 ASN A 20 -4.101 15.019 -2.585 1.00 22.44 H new ATOM 0 HD22 ASN A 20 -3.694 13.364 -2.119 1.00 22.44 H new ATOM 325 N VAL A 21 -0.275 10.668 -2.085 1.00 63.01 N ATOM 326 CA VAL A 21 0.369 9.352 -2.132 1.00 62.31 C ATOM 327 C VAL A 21 -0.605 8.297 -2.693 1.00 61.05 C ATOM 328 O VAL A 21 -1.812 8.386 -2.477 1.00 3.24 O ATOM 329 CB VAL A 21 0.855 8.936 -0.718 1.00 23.24 C ATOM 330 CG1 VAL A 21 -0.296 8.973 0.276 1.00 21.11 C ATOM 331 CG2 VAL A 21 1.503 7.556 -0.727 1.00 45.32 C ATOM 0 H VAL A 21 -1.279 10.632 -1.911 1.00 63.01 H new ATOM 0 HA VAL A 21 1.234 9.414 -2.793 1.00 62.31 H new ATOM 0 HB VAL A 21 1.613 9.656 -0.408 1.00 23.24 H new ATOM 0 HG11 VAL A 21 0.065 8.678 1.261 1.00 21.11 H new ATOM 0 HG12 VAL A 21 -0.702 9.983 0.325 1.00 21.11 H new ATOM 0 HG13 VAL A 21 -1.077 8.284 -0.046 1.00 21.11 H new ATOM 0 HG21 VAL A 21 1.830 7.301 0.281 1.00 45.32 H new ATOM 0 HG22 VAL A 21 0.780 6.817 -1.072 1.00 45.32 H new ATOM 0 HG23 VAL A 21 2.363 7.562 -1.397 1.00 45.32 H new ATOM 341 N ALA A 22 -0.085 7.315 -3.427 1.00 75.21 N ATOM 342 CA ALA A 22 -0.932 6.275 -4.036 1.00 42.33 C ATOM 343 C ALA A 22 -0.431 4.862 -3.699 1.00 71.31 C ATOM 344 O ALA A 22 0.772 4.617 -3.659 1.00 64.54 O ATOM 345 CB ALA A 22 -0.997 6.466 -5.549 1.00 34.13 C ATOM 0 H ALA A 22 0.912 7.212 -3.617 1.00 75.21 H new ATOM 0 HA ALA A 22 -1.933 6.378 -3.618 1.00 42.33 H new ATOM 0 HB1 ALA A 22 -1.626 5.691 -5.987 1.00 34.13 H new ATOM 0 HB2 ALA A 22 -1.418 7.446 -5.774 1.00 34.13 H new ATOM 0 HB3 ALA A 22 0.007 6.398 -5.968 1.00 34.13 H new ATOM 351 N ILE A 23 -1.356 3.931 -3.462 1.00 32.21 N ATOM 352 CA ILE A 23 -0.986 2.546 -3.125 1.00 35.14 C ATOM 353 C ILE A 23 -1.564 1.529 -4.125 1.00 22.53 C ATOM 354 O ILE A 23 -2.639 1.739 -4.696 1.00 52.02 O ATOM 355 CB ILE A 23 -1.442 2.161 -1.692 1.00 55.52 C ATOM 356 CG1 ILE A 23 -2.971 2.296 -1.548 1.00 33.43 C ATOM 357 CG2 ILE A 23 -0.719 3.020 -0.651 1.00 41.14 C ATOM 358 CD1 ILE A 23 -3.501 1.871 -0.193 1.00 43.40 C ATOM 0 H ILE A 23 -2.361 4.104 -3.495 1.00 32.21 H new ATOM 0 HA ILE A 23 0.102 2.509 -3.178 1.00 35.14 H new ATOM 0 HB ILE A 23 -1.179 1.118 -1.518 1.00 55.52 H new ATOM 0 HG12 ILE A 23 -3.253 3.333 -1.728 1.00 33.43 H new ATOM 0 HG13 ILE A 23 -3.453 1.696 -2.320 1.00 33.43 H new ATOM 0 HG21 ILE A 23 -1.051 2.737 0.348 1.00 41.14 H new ATOM 0 HG22 ILE A 23 0.357 2.864 -0.734 1.00 41.14 H new ATOM 0 HG23 ILE A 23 -0.948 4.071 -0.825 1.00 41.14 H new ATOM 0 HD11 ILE A 23 -4.584 1.995 -0.170 1.00 43.40 H new ATOM 0 HD12 ILE A 23 -3.252 0.824 -0.017 1.00 43.40 H new ATOM 0 HD13 ILE A 23 -3.049 2.487 0.584 1.00 43.40 H new ATOM 370 N ALA A 24 -0.833 0.433 -4.331 1.00 14.25 N ATOM 371 CA ALA A 24 -1.272 -0.662 -5.208 1.00 73.35 C ATOM 372 C ALA A 24 -0.551 -1.971 -4.852 1.00 22.43 C ATOM 373 O ALA A 24 0.613 -1.954 -4.453 1.00 62.03 O ATOM 374 CB ALA A 24 -1.023 -0.308 -6.672 1.00 42.14 C ATOM 0 H ALA A 24 0.077 0.276 -3.898 1.00 14.25 H new ATOM 0 HA ALA A 24 -2.342 -0.805 -5.058 1.00 73.35 H new ATOM 0 HB1 ALA A 24 -1.354 -1.130 -7.307 1.00 42.14 H new ATOM 0 HB2 ALA A 24 -1.579 0.594 -6.928 1.00 42.14 H new ATOM 0 HB3 ALA A 24 0.042 -0.135 -6.828 1.00 42.14 H new ATOM 380 N VAL A 25 -1.242 -3.099 -4.995 1.00 3.25 N ATOM 381 CA VAL A 25 -0.664 -4.412 -4.674 1.00 60.13 C ATOM 382 C VAL A 25 -0.341 -5.220 -5.941 1.00 23.34 C ATOM 383 O VAL A 25 -1.110 -5.229 -6.905 1.00 60.31 O ATOM 384 CB VAL A 25 -1.612 -5.237 -3.763 1.00 42.31 C ATOM 385 CG1 VAL A 25 -1.056 -6.640 -3.506 1.00 43.23 C ATOM 386 CG2 VAL A 25 -1.857 -4.506 -2.443 1.00 30.43 C ATOM 0 H VAL A 25 -2.204 -3.136 -5.331 1.00 3.25 H new ATOM 0 HA VAL A 25 0.266 -4.220 -4.140 1.00 60.13 H new ATOM 0 HB VAL A 25 -2.564 -5.346 -4.283 1.00 42.31 H new ATOM 0 HG11 VAL A 25 -1.743 -7.192 -2.865 1.00 43.23 H new ATOM 0 HG12 VAL A 25 -0.943 -7.166 -4.454 1.00 43.23 H new ATOM 0 HG13 VAL A 25 -0.086 -6.563 -3.016 1.00 43.23 H new ATOM 0 HG21 VAL A 25 -2.524 -5.099 -1.817 1.00 30.43 H new ATOM 0 HG22 VAL A 25 -0.908 -4.360 -1.926 1.00 30.43 H new ATOM 0 HG23 VAL A 25 -2.314 -3.537 -2.643 1.00 30.43 H new ATOM 396 N ASP A 26 0.808 -5.890 -5.928 1.00 64.45 N ATOM 397 CA ASP A 26 1.244 -6.744 -7.035 1.00 41.35 C ATOM 398 C ASP A 26 1.311 -8.215 -6.595 1.00 13.10 C ATOM 399 O ASP A 26 1.444 -8.513 -5.407 1.00 4.03 O ATOM 400 CB ASP A 26 2.620 -6.289 -7.532 1.00 52.23 C ATOM 401 CG ASP A 26 2.643 -4.814 -7.884 1.00 5.30 C ATOM 402 OD1 ASP A 26 2.641 -3.980 -6.956 1.00 70.31 O ATOM 403 OD2 ASP A 26 2.668 -4.473 -9.086 1.00 53.23 O ATOM 0 H ASP A 26 1.466 -5.858 -5.149 1.00 64.45 H new ATOM 0 HA ASP A 26 0.518 -6.657 -7.844 1.00 41.35 H new ATOM 0 HB2 ASP A 26 3.366 -6.489 -6.763 1.00 52.23 H new ATOM 0 HB3 ASP A 26 2.900 -6.874 -8.408 1.00 52.23 H new ATOM 408 N GLN A 27 1.228 -9.128 -7.555 1.00 34.53 N ATOM 409 CA GLN A 27 1.283 -10.567 -7.265 1.00 43.42 C ATOM 410 C GLN A 27 2.612 -11.182 -7.742 1.00 32.53 C ATOM 411 O GLN A 27 3.106 -10.857 -8.825 1.00 42.54 O ATOM 412 CB GLN A 27 0.098 -11.279 -7.935 1.00 63.43 C ATOM 413 CG GLN A 27 0.114 -11.196 -9.457 1.00 24.42 C ATOM 414 CD GLN A 27 -1.107 -11.830 -10.098 1.00 52.43 C ATOM 415 OE1 GLN A 27 -2.105 -11.168 -10.357 1.00 53.14 O ATOM 416 NE2 GLN A 27 -1.041 -13.121 -10.349 1.00 23.53 N ATOM 0 H GLN A 27 1.122 -8.903 -8.544 1.00 34.53 H new ATOM 0 HA GLN A 27 1.221 -10.701 -6.185 1.00 43.42 H new ATOM 0 HB2 GLN A 27 0.100 -12.328 -7.637 1.00 63.43 H new ATOM 0 HB3 GLN A 27 -0.831 -10.845 -7.566 1.00 63.43 H new ATOM 0 HG2 GLN A 27 0.174 -10.150 -9.758 1.00 24.42 H new ATOM 0 HG3 GLN A 27 1.011 -11.687 -9.833 1.00 24.42 H new ATOM 0 HE21 GLN A 27 -0.195 -13.642 -10.121 1.00 23.53 H new ATOM 0 HE22 GLN A 27 -1.836 -13.600 -10.772 1.00 23.53 H new ATOM 425 N ILE A 28 3.190 -12.061 -6.925 1.00 14.24 N ATOM 426 CA ILE A 28 4.431 -12.757 -7.287 1.00 44.50 C ATOM 427 C ILE A 28 4.140 -14.057 -8.055 1.00 2.32 C ATOM 428 O ILE A 28 3.617 -15.022 -7.498 1.00 54.45 O ATOM 429 CB ILE A 28 5.292 -13.077 -6.036 1.00 23.44 C ATOM 430 CG1 ILE A 28 5.628 -11.779 -5.278 1.00 72.22 C ATOM 431 CG2 ILE A 28 6.571 -13.819 -6.438 1.00 21.12 C ATOM 432 CD1 ILE A 28 6.517 -11.981 -4.067 1.00 45.04 C ATOM 0 H ILE A 28 2.821 -12.310 -6.007 1.00 14.24 H new ATOM 0 HA ILE A 28 4.992 -12.082 -7.934 1.00 44.50 H new ATOM 0 HB ILE A 28 4.719 -13.726 -5.374 1.00 23.44 H new ATOM 0 HG12 ILE A 28 6.118 -11.087 -5.963 1.00 72.22 H new ATOM 0 HG13 ILE A 28 4.699 -11.307 -4.958 1.00 72.22 H new ATOM 0 HG21 ILE A 28 7.162 -14.035 -5.548 1.00 21.12 H new ATOM 0 HG22 ILE A 28 6.309 -14.753 -6.935 1.00 21.12 H new ATOM 0 HG23 ILE A 28 7.154 -13.198 -7.118 1.00 21.12 H new ATOM 0 HD11 ILE A 28 6.706 -11.019 -3.590 1.00 45.04 H new ATOM 0 HD12 ILE A 28 6.022 -12.646 -3.359 1.00 45.04 H new ATOM 0 HD13 ILE A 28 7.463 -12.423 -4.380 1.00 45.04 H new ATOM 444 N VAL A 29 4.484 -14.066 -9.341 1.00 4.44 N ATOM 445 CA VAL A 29 4.239 -15.219 -10.219 1.00 24.41 C ATOM 446 C VAL A 29 5.558 -15.958 -10.533 1.00 13.15 C ATOM 447 O VAL A 29 6.641 -15.404 -10.342 1.00 2.14 O ATOM 448 CB VAL A 29 3.582 -14.754 -11.551 1.00 31.50 C ATOM 449 CG1 VAL A 29 3.062 -15.942 -12.362 1.00 10.13 C ATOM 450 CG2 VAL A 29 2.466 -13.743 -11.283 1.00 61.53 C ATOM 0 H VAL A 29 4.939 -13.281 -9.807 1.00 4.44 H new ATOM 0 HA VAL A 29 3.565 -15.900 -9.699 1.00 24.41 H new ATOM 0 HB VAL A 29 4.351 -14.262 -12.146 1.00 31.50 H new ATOM 0 HG11 VAL A 29 2.609 -15.582 -13.286 1.00 10.13 H new ATOM 0 HG12 VAL A 29 3.890 -16.610 -12.600 1.00 10.13 H new ATOM 0 HG13 VAL A 29 2.316 -16.482 -11.779 1.00 10.13 H new ATOM 0 HG21 VAL A 29 2.022 -13.432 -12.229 1.00 61.53 H new ATOM 0 HG22 VAL A 29 1.702 -14.202 -10.656 1.00 61.53 H new ATOM 0 HG23 VAL A 29 2.878 -12.873 -10.773 1.00 61.53 H new ATOM 460 N GLY A 30 5.466 -17.207 -11.009 1.00 31.42 N ATOM 461 CA GLY A 30 6.659 -17.953 -11.428 1.00 63.50 C ATOM 462 C GLY A 30 7.324 -17.357 -12.672 1.00 71.11 C ATOM 463 O GLY A 30 7.342 -17.973 -13.742 1.00 73.43 O ATOM 0 H GLY A 30 4.589 -17.717 -11.113 1.00 31.42 H new ATOM 0 HA2 GLY A 30 7.378 -17.969 -10.609 1.00 63.50 H new ATOM 0 HA3 GLY A 30 6.383 -18.988 -11.630 1.00 63.50 H new ATOM 467 N LYS A 31 7.883 -16.157 -12.509 1.00 12.42 N ATOM 468 CA LYS A 31 8.458 -15.376 -13.612 1.00 41.20 C ATOM 469 C LYS A 31 8.890 -13.989 -13.104 1.00 22.44 C ATOM 470 O LYS A 31 9.975 -13.501 -13.418 1.00 74.14 O ATOM 471 CB LYS A 31 7.431 -15.205 -14.747 1.00 23.33 C ATOM 472 CG LYS A 31 7.999 -14.554 -16.007 1.00 40.44 C ATOM 473 CD LYS A 31 9.052 -15.431 -16.692 1.00 53.53 C ATOM 474 CE LYS A 31 8.440 -16.640 -17.404 1.00 14.31 C ATOM 475 NZ LYS A 31 7.830 -17.623 -16.464 1.00 0.35 N ATOM 0 H LYS A 31 7.951 -15.694 -11.603 1.00 12.42 H new ATOM 0 HA LYS A 31 9.326 -15.912 -13.996 1.00 41.20 H new ATOM 0 HB2 LYS A 31 7.026 -16.183 -15.007 1.00 23.33 H new ATOM 0 HB3 LYS A 31 6.599 -14.602 -14.383 1.00 23.33 H new ATOM 0 HG2 LYS A 31 7.187 -14.352 -16.706 1.00 40.44 H new ATOM 0 HG3 LYS A 31 8.443 -13.593 -15.748 1.00 40.44 H new ATOM 0 HD2 LYS A 31 9.605 -14.831 -17.414 1.00 53.53 H new ATOM 0 HD3 LYS A 31 9.770 -15.777 -15.949 1.00 53.53 H new ATOM 0 HE2 LYS A 31 7.679 -16.295 -18.104 1.00 14.31 H new ATOM 0 HE3 LYS A 31 9.212 -17.138 -17.991 1.00 14.31 H new ATOM 0 HZ1 LYS A 31 8.029 -18.589 -16.794 1.00 0.35 H new ATOM 0 HZ2 LYS A 31 8.233 -17.492 -15.514 1.00 0.35 H new ATOM 0 HZ3 LYS A 31 6.801 -17.475 -16.426 1.00 0.35 H new ATOM 489 N GLY A 32 8.018 -13.373 -12.306 1.00 44.53 N ATOM 490 CA GLY A 32 8.273 -12.041 -11.765 1.00 44.41 C ATOM 491 C GLY A 32 7.076 -11.494 -10.989 1.00 12.44 C ATOM 492 O GLY A 32 6.426 -12.225 -10.242 1.00 32.31 O ATOM 0 H GLY A 32 7.127 -13.778 -12.020 1.00 44.53 H new ATOM 0 HA2 GLY A 32 9.143 -12.078 -11.109 1.00 44.41 H new ATOM 0 HA3 GLY A 32 8.517 -11.360 -12.580 1.00 44.41 H new ATOM 496 N THR A 33 6.772 -10.212 -11.171 1.00 10.33 N ATOM 497 CA THR A 33 5.630 -9.578 -10.492 1.00 34.45 C ATOM 498 C THR A 33 4.658 -8.952 -11.498 1.00 15.10 C ATOM 499 O THR A 33 5.062 -8.482 -12.565 1.00 42.20 O ATOM 500 CB THR A 33 6.083 -8.482 -9.494 1.00 61.24 C ATOM 501 OG1 THR A 33 6.798 -7.443 -10.185 1.00 51.53 O ATOM 502 CG2 THR A 33 6.965 -9.066 -8.394 1.00 10.42 C ATOM 0 H THR A 33 7.297 -9.586 -11.782 1.00 10.33 H new ATOM 0 HA THR A 33 5.126 -10.373 -9.942 1.00 34.45 H new ATOM 0 HB THR A 33 5.189 -8.062 -9.033 1.00 61.24 H new ATOM 0 HG1 THR A 33 7.077 -6.756 -9.544 1.00 51.53 H new ATOM 0 HG21 THR A 33 7.267 -8.273 -7.710 1.00 10.42 H new ATOM 0 HG22 THR A 33 6.408 -9.826 -7.846 1.00 10.42 H new ATOM 0 HG23 THR A 33 7.851 -9.517 -8.840 1.00 10.42 H new ATOM 510 N SER A 34 3.372 -8.954 -11.154 1.00 21.11 N ATOM 511 CA SER A 34 2.329 -8.374 -12.017 1.00 33.54 C ATOM 512 C SER A 34 1.345 -7.522 -11.198 1.00 54.43 C ATOM 513 O SER A 34 0.873 -7.959 -10.147 1.00 31.41 O ATOM 514 CB SER A 34 1.564 -9.486 -12.753 1.00 71.14 C ATOM 515 OG SER A 34 0.518 -8.953 -13.556 1.00 31.24 O ATOM 0 H SER A 34 3.020 -9.350 -10.283 1.00 21.11 H new ATOM 0 HA SER A 34 2.819 -7.731 -12.748 1.00 33.54 H new ATOM 0 HB2 SER A 34 2.254 -10.051 -13.380 1.00 71.14 H new ATOM 0 HB3 SER A 34 1.148 -10.185 -12.027 1.00 71.14 H new ATOM 0 HG SER A 34 0.051 -9.684 -14.013 1.00 31.24 H new ATOM 521 N PRO A 35 1.034 -6.290 -11.662 1.00 4.21 N ATOM 522 CA PRO A 35 0.092 -5.388 -10.968 1.00 60.51 C ATOM 523 C PRO A 35 -1.282 -6.034 -10.716 1.00 52.25 C ATOM 524 O PRO A 35 -2.042 -6.296 -11.654 1.00 25.33 O ATOM 525 CB PRO A 35 -0.033 -4.194 -11.928 1.00 40.43 C ATOM 526 CG PRO A 35 1.226 -4.220 -12.728 1.00 72.43 C ATOM 527 CD PRO A 35 1.581 -5.675 -12.885 1.00 73.14 C ATOM 0 HA PRO A 35 0.451 -5.117 -9.975 1.00 60.51 H new ATOM 0 HB2 PRO A 35 -0.911 -4.290 -12.567 1.00 40.43 H new ATOM 0 HB3 PRO A 35 -0.137 -3.256 -11.382 1.00 40.43 H new ATOM 0 HG2 PRO A 35 1.083 -3.745 -13.699 1.00 72.43 H new ATOM 0 HG3 PRO A 35 2.023 -3.675 -12.221 1.00 72.43 H new ATOM 0 HD2 PRO A 35 1.137 -6.103 -13.784 1.00 73.14 H new ATOM 0 HD3 PRO A 35 2.659 -5.820 -12.961 1.00 73.14 H new ATOM 535 N LEU A 36 -1.590 -6.295 -9.446 1.00 1.54 N ATOM 536 CA LEU A 36 -2.846 -6.953 -9.069 1.00 34.04 C ATOM 537 C LEU A 36 -3.997 -5.940 -8.929 1.00 73.55 C ATOM 538 O LEU A 36 -5.116 -6.192 -9.384 1.00 41.42 O ATOM 539 CB LEU A 36 -2.662 -7.721 -7.752 1.00 32.34 C ATOM 540 CG LEU A 36 -3.865 -8.569 -7.307 1.00 53.35 C ATOM 541 CD1 LEU A 36 -4.111 -9.720 -8.281 1.00 71.33 C ATOM 542 CD2 LEU A 36 -3.664 -9.092 -5.887 1.00 2.20 C ATOM 0 H LEU A 36 -0.987 -6.061 -8.657 1.00 1.54 H new ATOM 0 HA LEU A 36 -3.109 -7.650 -9.864 1.00 34.04 H new ATOM 0 HB2 LEU A 36 -1.795 -8.375 -7.851 1.00 32.34 H new ATOM 0 HB3 LEU A 36 -2.433 -7.005 -6.963 1.00 32.34 H new ATOM 0 HG LEU A 36 -4.748 -7.930 -7.311 1.00 53.35 H new ATOM 0 HD11 LEU A 36 -4.967 -10.305 -7.944 1.00 71.33 H new ATOM 0 HD12 LEU A 36 -4.314 -9.319 -9.274 1.00 71.33 H new ATOM 0 HD13 LEU A 36 -3.228 -10.358 -8.320 1.00 71.33 H new ATOM 0 HD21 LEU A 36 -4.527 -9.689 -5.594 1.00 2.20 H new ATOM 0 HD22 LEU A 36 -2.766 -9.709 -5.850 1.00 2.20 H new ATOM 0 HD23 LEU A 36 -3.554 -8.251 -5.202 1.00 2.20 H new ATOM 554 N THR A 37 -3.719 -4.804 -8.285 1.00 34.15 N ATOM 555 CA THR A 37 -4.723 -3.740 -8.102 1.00 12.34 C ATOM 556 C THR A 37 -4.244 -2.417 -8.713 1.00 1.24 C ATOM 557 O THR A 37 -3.051 -2.227 -8.953 1.00 25.22 O ATOM 558 CB THR A 37 -5.039 -3.482 -6.606 1.00 44.32 C ATOM 559 OG1 THR A 37 -3.914 -2.863 -5.957 1.00 40.14 O ATOM 560 CG2 THR A 37 -5.399 -4.777 -5.885 1.00 20.02 C ATOM 0 H THR A 37 -2.807 -4.592 -7.879 1.00 34.15 H new ATOM 0 HA THR A 37 -5.623 -4.090 -8.607 1.00 12.34 H new ATOM 0 HB THR A 37 -5.897 -2.812 -6.559 1.00 44.32 H new ATOM 0 HG1 THR A 37 -3.993 -2.976 -4.987 1.00 40.14 H new ATOM 0 HG21 THR A 37 -5.615 -4.563 -4.838 1.00 20.02 H new ATOM 0 HG22 THR A 37 -6.277 -5.222 -6.353 1.00 20.02 H new ATOM 0 HG23 THR A 37 -4.562 -5.473 -5.948 1.00 20.02 H new ATOM 568 N SER A 38 -5.178 -1.499 -8.957 1.00 40.43 N ATOM 569 CA SER A 38 -4.837 -0.165 -9.477 1.00 32.44 C ATOM 570 C SER A 38 -4.348 0.766 -8.354 1.00 4.13 C ATOM 571 O SER A 38 -4.333 0.388 -7.181 1.00 51.04 O ATOM 572 CB SER A 38 -6.048 0.459 -10.187 1.00 2.14 C ATOM 573 OG SER A 38 -5.688 1.655 -10.867 1.00 14.24 O ATOM 0 H SER A 38 -6.175 -1.649 -8.805 1.00 40.43 H new ATOM 0 HA SER A 38 -4.026 -0.286 -10.195 1.00 32.44 H new ATOM 0 HB2 SER A 38 -6.463 -0.255 -10.898 1.00 2.14 H new ATOM 0 HB3 SER A 38 -6.829 0.674 -9.458 1.00 2.14 H new ATOM 0 HG SER A 38 -4.819 1.534 -11.304 1.00 14.24 H new ATOM 579 N TYR A 39 -3.957 1.986 -8.719 1.00 23.01 N ATOM 580 CA TYR A 39 -3.405 2.952 -7.759 1.00 71.04 C ATOM 581 C TYR A 39 -4.497 3.851 -7.154 1.00 62.41 C ATOM 582 O TYR A 39 -5.175 4.595 -7.869 1.00 2.50 O ATOM 583 CB TYR A 39 -2.327 3.812 -8.436 1.00 24.53 C ATOM 584 CG TYR A 39 -1.102 3.021 -8.860 1.00 13.54 C ATOM 585 CD1 TYR A 39 -1.062 2.361 -10.084 1.00 1.24 C ATOM 586 CD2 TYR A 39 0.011 2.926 -8.029 1.00 30.42 C ATOM 587 CE1 TYR A 39 0.050 1.636 -10.469 1.00 61.50 C ATOM 588 CE2 TYR A 39 1.125 2.203 -8.408 1.00 50.23 C ATOM 589 CZ TYR A 39 1.140 1.558 -9.627 1.00 54.55 C ATOM 590 OH TYR A 39 2.249 0.834 -10.005 1.00 63.41 O ATOM 0 H TYR A 39 -4.011 2.334 -9.676 1.00 23.01 H new ATOM 0 HA TYR A 39 -2.958 2.385 -6.943 1.00 71.04 H new ATOM 0 HB2 TYR A 39 -2.757 4.298 -9.312 1.00 24.53 H new ATOM 0 HB3 TYR A 39 -2.021 4.603 -7.751 1.00 24.53 H new ATOM 0 HD1 TYR A 39 -1.915 2.416 -10.745 1.00 1.24 H new ATOM 0 HD2 TYR A 39 0.003 3.426 -7.072 1.00 30.42 H new ATOM 0 HE1 TYR A 39 0.065 1.133 -11.425 1.00 61.50 H new ATOM 0 HE2 TYR A 39 1.981 2.143 -7.752 1.00 50.23 H new ATOM 0 HH TYR A 39 3.051 1.230 -9.603 1.00 63.41 H new ATOM 600 N PHE A 40 -4.653 3.776 -5.834 1.00 41.30 N ATOM 601 CA PHE A 40 -5.646 4.584 -5.113 1.00 2.33 C ATOM 602 C PHE A 40 -4.987 5.826 -4.481 1.00 32.20 C ATOM 603 O PHE A 40 -4.002 5.707 -3.753 1.00 63.54 O ATOM 604 CB PHE A 40 -6.315 3.733 -4.021 1.00 2.23 C ATOM 605 CG PHE A 40 -6.810 2.396 -4.519 1.00 64.34 C ATOM 606 CD1 PHE A 40 -7.942 2.312 -5.318 1.00 2.54 C ATOM 607 CD2 PHE A 40 -6.137 1.225 -4.193 1.00 45.12 C ATOM 608 CE1 PHE A 40 -8.391 1.090 -5.782 1.00 71.54 C ATOM 609 CE2 PHE A 40 -6.587 0.001 -4.652 1.00 74.12 C ATOM 610 CZ PHE A 40 -7.714 -0.066 -5.448 1.00 54.03 C ATOM 0 H PHE A 40 -4.103 3.161 -5.235 1.00 41.30 H new ATOM 0 HA PHE A 40 -6.401 4.920 -5.824 1.00 2.33 H new ATOM 0 HB2 PHE A 40 -5.603 3.570 -3.212 1.00 2.23 H new ATOM 0 HB3 PHE A 40 -7.153 4.289 -3.601 1.00 2.23 H new ATOM 0 HD1 PHE A 40 -8.478 3.212 -5.580 1.00 2.54 H new ATOM 0 HD2 PHE A 40 -5.253 1.271 -3.574 1.00 45.12 H new ATOM 0 HE1 PHE A 40 -9.271 1.039 -6.406 1.00 71.54 H new ATOM 0 HE2 PHE A 40 -6.058 -0.903 -4.388 1.00 74.12 H new ATOM 0 HZ PHE A 40 -8.065 -1.022 -5.809 1.00 54.03 H new ATOM 620 N PHE A 41 -5.540 7.012 -4.756 1.00 74.41 N ATOM 621 CA PHE A 41 -4.956 8.279 -4.281 1.00 63.45 C ATOM 622 C PHE A 41 -5.439 8.661 -2.867 1.00 53.14 C ATOM 623 O PHE A 41 -6.638 8.709 -2.587 1.00 42.41 O ATOM 624 CB PHE A 41 -5.278 9.412 -5.268 1.00 5.35 C ATOM 625 CG PHE A 41 -4.594 9.266 -6.604 1.00 63.34 C ATOM 626 CD1 PHE A 41 -5.193 8.560 -7.638 1.00 61.11 C ATOM 627 CD2 PHE A 41 -3.344 9.829 -6.822 1.00 42.41 C ATOM 628 CE1 PHE A 41 -4.562 8.422 -8.859 1.00 74.51 C ATOM 629 CE2 PHE A 41 -2.711 9.695 -8.042 1.00 41.24 C ATOM 630 CZ PHE A 41 -3.319 8.990 -9.061 1.00 4.32 C ATOM 0 H PHE A 41 -6.392 7.125 -5.305 1.00 74.41 H new ATOM 0 HA PHE A 41 -3.877 8.132 -4.225 1.00 63.45 H new ATOM 0 HB2 PHE A 41 -6.356 9.450 -5.424 1.00 5.35 H new ATOM 0 HB3 PHE A 41 -4.987 10.363 -4.823 1.00 5.35 H new ATOM 0 HD1 PHE A 41 -6.164 8.113 -7.486 1.00 61.11 H new ATOM 0 HD2 PHE A 41 -2.861 10.379 -6.028 1.00 42.41 H new ATOM 0 HE1 PHE A 41 -5.040 7.871 -9.655 1.00 74.51 H new ATOM 0 HE2 PHE A 41 -1.740 10.142 -8.199 1.00 41.24 H new ATOM 0 HZ PHE A 41 -2.824 8.883 -10.015 1.00 4.32 H new ATOM 640 N TRP A 42 -4.481 8.957 -1.993 1.00 24.12 N ATOM 641 CA TRP A 42 -4.749 9.352 -0.605 1.00 12.25 C ATOM 642 C TRP A 42 -4.000 10.658 -0.247 1.00 12.22 C ATOM 643 O TRP A 42 -2.837 10.837 -0.614 1.00 61.11 O ATOM 644 CB TRP A 42 -4.335 8.195 0.334 1.00 24.21 C ATOM 645 CG TRP A 42 -4.103 8.585 1.771 1.00 25.35 C ATOM 646 CD1 TRP A 42 -2.895 8.819 2.363 1.00 74.15 C ATOM 647 CD2 TRP A 42 -5.090 8.771 2.794 1.00 25.25 C ATOM 648 NE1 TRP A 42 -3.065 9.152 3.679 1.00 22.54 N ATOM 649 CE2 TRP A 42 -4.403 9.132 3.972 1.00 32.53 C ATOM 650 CE3 TRP A 42 -6.484 8.675 2.832 1.00 31.21 C ATOM 651 CZ2 TRP A 42 -5.062 9.394 5.170 1.00 52.12 C ATOM 652 CZ3 TRP A 42 -7.137 8.936 4.023 1.00 20.02 C ATOM 653 CH2 TRP A 42 -6.427 9.294 5.175 1.00 23.42 C ATOM 0 H TRP A 42 -3.488 8.931 -2.225 1.00 24.12 H new ATOM 0 HA TRP A 42 -5.814 9.550 -0.483 1.00 12.25 H new ATOM 0 HB2 TRP A 42 -5.110 7.429 0.303 1.00 24.21 H new ATOM 0 HB3 TRP A 42 -3.423 7.742 -0.054 1.00 24.21 H new ATOM 0 HD1 TRP A 42 -1.940 8.751 1.863 1.00 74.15 H new ATOM 0 HE1 TRP A 42 -2.317 9.378 4.335 1.00 22.54 H new ATOM 0 HE3 TRP A 42 -7.041 8.402 1.948 1.00 31.21 H new ATOM 0 HZ2 TRP A 42 -4.517 9.666 6.062 1.00 52.12 H new ATOM 0 HZ3 TRP A 42 -8.214 8.862 4.065 1.00 20.02 H new ATOM 0 HH2 TRP A 42 -6.968 9.496 6.088 1.00 23.42 H new ATOM 664 N PRO A 43 -4.665 11.615 0.442 1.00 73.20 N ATOM 665 CA PRO A 43 -6.086 11.533 0.803 1.00 24.22 C ATOM 666 C PRO A 43 -7.007 12.141 -0.267 1.00 2.12 C ATOM 667 O PRO A 43 -7.159 13.362 -0.362 1.00 52.24 O ATOM 668 CB PRO A 43 -6.127 12.356 2.091 1.00 74.43 C ATOM 669 CG PRO A 43 -5.145 13.451 1.837 1.00 21.42 C ATOM 670 CD PRO A 43 -4.060 12.857 0.961 1.00 71.54 C ATOM 0 HA PRO A 43 -6.440 10.507 0.906 1.00 24.22 H new ATOM 0 HB2 PRO A 43 -7.125 12.749 2.284 1.00 74.43 H new ATOM 0 HB3 PRO A 43 -5.846 11.758 2.958 1.00 74.43 H new ATOM 0 HG2 PRO A 43 -5.624 14.296 1.343 1.00 21.42 H new ATOM 0 HG3 PRO A 43 -4.728 13.824 2.773 1.00 21.42 H new ATOM 0 HD2 PRO A 43 -3.783 13.534 0.153 1.00 71.54 H new ATOM 0 HD3 PRO A 43 -3.154 12.652 1.531 1.00 71.54 H new ATOM 678 N ARG A 44 -7.588 11.288 -1.099 1.00 65.34 N ATOM 679 CA ARG A 44 -8.527 11.729 -2.135 1.00 43.24 C ATOM 680 C ARG A 44 -9.693 10.740 -2.250 1.00 2.25 C ATOM 681 O ARG A 44 -10.842 11.126 -2.462 1.00 14.32 O ATOM 682 CB ARG A 44 -7.804 11.878 -3.485 1.00 12.42 C ATOM 683 CG ARG A 44 -6.813 13.040 -3.523 1.00 41.24 C ATOM 684 CD ARG A 44 -6.001 13.070 -4.814 1.00 51.24 C ATOM 685 NE ARG A 44 -6.846 13.060 -6.009 1.00 23.31 N ATOM 686 CZ ARG A 44 -7.195 14.127 -6.676 1.00 45.33 C ATOM 687 NH1 ARG A 44 -6.881 15.312 -6.252 1.00 23.30 N ATOM 688 NH2 ARG A 44 -7.879 14.003 -7.767 1.00 21.45 N ATOM 0 H ARG A 44 -7.428 10.281 -1.081 1.00 65.34 H new ATOM 0 HA ARG A 44 -8.928 12.703 -1.853 1.00 43.24 H new ATOM 0 HB2 ARG A 44 -7.274 10.952 -3.708 1.00 12.42 H new ATOM 0 HB3 ARG A 44 -8.546 12.018 -4.271 1.00 12.42 H new ATOM 0 HG2 ARG A 44 -7.355 13.980 -3.416 1.00 41.24 H new ATOM 0 HG3 ARG A 44 -6.135 12.964 -2.673 1.00 41.24 H new ATOM 0 HD2 ARG A 44 -5.374 13.961 -4.824 1.00 51.24 H new ATOM 0 HD3 ARG A 44 -5.332 12.210 -4.839 1.00 51.24 H new ATOM 0 HE ARG A 44 -7.185 12.158 -6.344 1.00 23.31 H new ATOM 0 HH11 ARG A 44 -6.354 15.421 -5.386 1.00 23.30 H new ATOM 0 HH12 ARG A 44 -7.161 16.135 -6.785 1.00 23.30 H new ATOM 0 HH21 ARG A 44 -8.142 13.076 -8.101 1.00 21.45 H new ATOM 0 HH22 ARG A 44 -8.155 14.832 -8.293 1.00 21.45 H new ATOM 702 N ALA A 45 -9.371 9.459 -2.120 1.00 11.52 N ATOM 703 CA ALA A 45 -10.370 8.395 -2.045 1.00 73.11 C ATOM 704 C ALA A 45 -10.016 7.420 -0.917 1.00 23.35 C ATOM 705 O ALA A 45 -8.919 7.482 -0.353 1.00 2.20 O ATOM 706 CB ALA A 45 -10.457 7.659 -3.378 1.00 41.12 C ATOM 0 H ALA A 45 -8.409 9.126 -2.063 1.00 11.52 H new ATOM 0 HA ALA A 45 -11.342 8.838 -1.830 1.00 73.11 H new ATOM 0 HB1 ALA A 45 -11.205 6.869 -3.309 1.00 41.12 H new ATOM 0 HB2 ALA A 45 -10.741 8.360 -4.163 1.00 41.12 H new ATOM 0 HB3 ALA A 45 -9.487 7.221 -3.616 1.00 41.12 H new ATOM 712 N ASP A 46 -10.940 6.527 -0.583 1.00 73.20 N ATOM 713 CA ASP A 46 -10.695 5.531 0.461 1.00 33.31 C ATOM 714 C ASP A 46 -9.660 4.492 -0.006 1.00 64.31 C ATOM 715 O ASP A 46 -10.012 3.407 -0.466 1.00 0.51 O ATOM 716 CB ASP A 46 -12.006 4.849 0.854 1.00 70.25 C ATOM 717 CG ASP A 46 -13.069 5.849 1.263 1.00 75.34 C ATOM 718 OD1 ASP A 46 -13.799 6.336 0.376 1.00 32.45 O ATOM 719 OD2 ASP A 46 -13.176 6.155 2.469 1.00 54.01 O ATOM 0 H ASP A 46 -11.862 6.469 -1.015 1.00 73.20 H new ATOM 0 HA ASP A 46 -10.289 6.038 1.336 1.00 33.31 H new ATOM 0 HB2 ASP A 46 -12.371 4.255 0.016 1.00 70.25 H new ATOM 0 HB3 ASP A 46 -11.822 4.159 1.677 1.00 70.25 H new ATOM 724 N ALA A 47 -8.382 4.849 0.102 1.00 54.30 N ATOM 725 CA ALA A 47 -7.284 4.005 -0.379 1.00 32.24 C ATOM 726 C ALA A 47 -7.336 2.579 0.196 1.00 42.24 C ATOM 727 O ALA A 47 -7.406 1.603 -0.551 1.00 53.44 O ATOM 728 CB ALA A 47 -5.946 4.658 -0.057 1.00 14.44 C ATOM 0 H ALA A 47 -8.077 5.727 0.523 1.00 54.30 H new ATOM 0 HA ALA A 47 -7.397 3.913 -1.459 1.00 32.24 H new ATOM 0 HB1 ALA A 47 -5.136 4.024 -0.418 1.00 14.44 H new ATOM 0 HB2 ALA A 47 -5.890 5.632 -0.544 1.00 14.44 H new ATOM 0 HB3 ALA A 47 -5.854 4.786 1.022 1.00 14.44 H new ATOM 734 N TRP A 48 -7.316 2.465 1.520 1.00 53.43 N ATOM 735 CA TRP A 48 -7.278 1.153 2.180 1.00 34.43 C ATOM 736 C TRP A 48 -8.603 0.392 1.995 1.00 31.51 C ATOM 737 O TRP A 48 -8.615 -0.826 1.795 1.00 44.25 O ATOM 738 CB TRP A 48 -6.972 1.325 3.674 1.00 12.21 C ATOM 739 CG TRP A 48 -6.704 0.031 4.389 1.00 1.44 C ATOM 740 CD1 TRP A 48 -5.545 -0.691 4.361 1.00 42.35 C ATOM 741 CD2 TRP A 48 -7.606 -0.690 5.241 1.00 5.43 C ATOM 742 NE1 TRP A 48 -5.674 -1.816 5.134 1.00 1.14 N ATOM 743 CE2 TRP A 48 -6.927 -1.839 5.684 1.00 1.42 C ATOM 744 CE3 TRP A 48 -8.921 -0.476 5.669 1.00 75.43 C ATOM 745 CZ2 TRP A 48 -7.516 -2.771 6.535 1.00 24.42 C ATOM 746 CZ3 TRP A 48 -9.505 -1.402 6.513 1.00 10.33 C ATOM 747 CH2 TRP A 48 -8.802 -2.538 6.938 1.00 41.11 C ATOM 0 H TRP A 48 -7.325 3.259 2.160 1.00 53.43 H new ATOM 0 HA TRP A 48 -6.487 0.565 1.715 1.00 34.43 H new ATOM 0 HB2 TRP A 48 -6.106 1.978 3.786 1.00 12.21 H new ATOM 0 HB3 TRP A 48 -7.813 1.827 4.153 1.00 12.21 H new ATOM 0 HD1 TRP A 48 -4.657 -0.416 3.811 1.00 42.35 H new ATOM 0 HE1 TRP A 48 -4.952 -2.522 5.276 1.00 1.14 H new ATOM 0 HE3 TRP A 48 -9.469 0.396 5.346 1.00 75.43 H new ATOM 0 HZ2 TRP A 48 -6.976 -3.646 6.865 1.00 24.42 H new ATOM 0 HZ3 TRP A 48 -10.519 -1.248 6.850 1.00 10.33 H new ATOM 0 HH2 TRP A 48 -9.286 -3.244 7.597 1.00 41.11 H new ATOM 758 N GLN A 49 -9.717 1.119 2.057 1.00 13.54 N ATOM 759 CA GLN A 49 -11.047 0.517 1.897 1.00 61.54 C ATOM 760 C GLN A 49 -11.230 -0.069 0.483 1.00 73.03 C ATOM 761 O GLN A 49 -11.680 -1.205 0.319 1.00 30.31 O ATOM 762 CB GLN A 49 -12.134 1.562 2.187 1.00 74.30 C ATOM 763 CG GLN A 49 -13.558 1.021 2.104 1.00 33.04 C ATOM 764 CD GLN A 49 -13.832 -0.106 3.091 1.00 42.53 C ATOM 765 OE1 GLN A 49 -13.209 -0.055 4.252 1.00 1.53 O flip ATOM 766 NE2 GLN A 49 -14.621 -1.006 2.819 1.00 41.15 N flip ATOM 0 H GLN A 49 -9.729 2.126 2.217 1.00 13.54 H new ATOM 0 HA GLN A 49 -11.138 -0.302 2.611 1.00 61.54 H new ATOM 0 HB2 GLN A 49 -11.971 1.973 3.183 1.00 74.30 H new ATOM 0 HB3 GLN A 49 -12.028 2.386 1.481 1.00 74.30 H new ATOM 0 HG2 GLN A 49 -14.260 1.835 2.288 1.00 33.04 H new ATOM 0 HG3 GLN A 49 -13.745 0.662 1.092 1.00 33.04 H new ATOM 0 HE21 GLN A 49 -15.088 -1.018 1.912 1.00 41.15 H new ATOM 0 HE22 GLN A 49 -14.810 -1.742 3.500 1.00 41.15 H new ATOM 775 N GLN A 50 -10.876 0.714 -0.533 1.00 4.45 N ATOM 776 CA GLN A 50 -10.935 0.254 -1.926 1.00 0.43 C ATOM 777 C GLN A 50 -9.935 -0.888 -2.181 1.00 3.13 C ATOM 778 O GLN A 50 -10.206 -1.800 -2.969 1.00 3.31 O ATOM 779 CB GLN A 50 -10.660 1.421 -2.888 1.00 30.22 C ATOM 780 CG GLN A 50 -11.749 2.493 -2.891 1.00 73.42 C ATOM 781 CD GLN A 50 -11.418 3.691 -3.772 1.00 10.12 C ATOM 782 OE1 GLN A 50 -10.152 4.043 -3.860 1.00 4.42 O flip ATOM 783 NE2 GLN A 50 -12.298 4.311 -4.358 1.00 23.33 N flip ATOM 0 H GLN A 50 -10.544 1.672 -0.422 1.00 4.45 H new ATOM 0 HA GLN A 50 -11.939 -0.128 -2.108 1.00 0.43 H new ATOM 0 HB2 GLN A 50 -9.710 1.883 -2.620 1.00 30.22 H new ATOM 0 HB3 GLN A 50 -10.549 1.027 -3.898 1.00 30.22 H new ATOM 0 HG2 GLN A 50 -12.684 2.049 -3.231 1.00 73.42 H new ATOM 0 HG3 GLN A 50 -11.912 2.837 -1.870 1.00 73.42 H new ATOM 0 HE21 GLN A 50 -13.271 4.018 -4.273 1.00 23.33 H new ATOM 0 HE22 GLN A 50 -12.057 5.120 -4.930 1.00 23.33 H new ATOM 792 N LEU A 51 -8.786 -0.835 -1.504 1.00 75.00 N ATOM 793 CA LEU A 51 -7.757 -1.873 -1.634 1.00 40.31 C ATOM 794 C LEU A 51 -8.258 -3.232 -1.118 1.00 32.52 C ATOM 795 O LEU A 51 -8.187 -4.241 -1.829 1.00 54.31 O ATOM 796 CB LEU A 51 -6.485 -1.461 -0.877 1.00 32.44 C ATOM 797 CG LEU A 51 -5.305 -2.443 -0.995 1.00 21.51 C ATOM 798 CD1 LEU A 51 -4.907 -2.637 -2.457 1.00 64.02 C ATOM 799 CD2 LEU A 51 -4.112 -1.964 -0.168 1.00 22.21 C ATOM 0 H LEU A 51 -8.543 -0.083 -0.859 1.00 75.00 H new ATOM 0 HA LEU A 51 -7.527 -1.979 -2.694 1.00 40.31 H new ATOM 0 HB2 LEU A 51 -6.163 -0.486 -1.243 1.00 32.44 H new ATOM 0 HB3 LEU A 51 -6.732 -1.340 0.178 1.00 32.44 H new ATOM 0 HG LEU A 51 -5.626 -3.406 -0.598 1.00 21.51 H new ATOM 0 HD11 LEU A 51 -4.072 -3.334 -2.517 1.00 64.02 H new ATOM 0 HD12 LEU A 51 -5.754 -3.036 -3.015 1.00 64.02 H new ATOM 0 HD13 LEU A 51 -4.611 -1.679 -2.884 1.00 64.02 H new ATOM 0 HD21 LEU A 51 -3.291 -2.674 -0.268 1.00 22.21 H new ATOM 0 HD22 LEU A 51 -3.791 -0.986 -0.526 1.00 22.21 H new ATOM 0 HD23 LEU A 51 -4.402 -1.890 0.880 1.00 22.21 H new ATOM 811 N LYS A 52 -8.769 -3.262 0.116 1.00 41.44 N ATOM 812 CA LYS A 52 -9.287 -4.510 0.691 1.00 42.41 C ATOM 813 C LYS A 52 -10.449 -5.054 -0.151 1.00 70.30 C ATOM 814 O LYS A 52 -10.561 -6.259 -0.360 1.00 60.14 O ATOM 815 CB LYS A 52 -9.715 -4.320 2.162 1.00 1.52 C ATOM 816 CG LYS A 52 -10.986 -3.493 2.362 1.00 3.32 C ATOM 817 CD LYS A 52 -11.282 -3.242 3.843 1.00 15.01 C ATOM 818 CE LYS A 52 -11.467 -4.540 4.630 1.00 63.24 C ATOM 819 NZ LYS A 52 -12.668 -5.305 4.198 1.00 1.12 N ATOM 0 H LYS A 52 -8.836 -2.450 0.730 1.00 41.44 H new ATOM 0 HA LYS A 52 -8.480 -5.242 0.676 1.00 42.41 H new ATOM 0 HB2 LYS A 52 -9.864 -5.302 2.611 1.00 1.52 H new ATOM 0 HB3 LYS A 52 -8.899 -3.842 2.704 1.00 1.52 H new ATOM 0 HG2 LYS A 52 -10.882 -2.538 1.847 1.00 3.32 H new ATOM 0 HG3 LYS A 52 -11.830 -4.011 1.907 1.00 3.32 H new ATOM 0 HD2 LYS A 52 -10.466 -2.668 4.281 1.00 15.01 H new ATOM 0 HD3 LYS A 52 -12.183 -2.635 3.933 1.00 15.01 H new ATOM 0 HE2 LYS A 52 -10.581 -5.163 4.509 1.00 63.24 H new ATOM 0 HE3 LYS A 52 -11.551 -4.308 5.692 1.00 63.24 H new ATOM 0 HZ1 LYS A 52 -12.700 -6.214 4.702 1.00 1.12 H new ATOM 0 HZ2 LYS A 52 -13.525 -4.758 4.416 1.00 1.12 H new ATOM 0 HZ3 LYS A 52 -12.619 -5.479 3.174 1.00 1.12 H new ATOM 833 N ASP A 53 -11.292 -4.148 -0.653 1.00 44.54 N ATOM 834 CA ASP A 53 -12.401 -4.514 -1.543 1.00 70.15 C ATOM 835 C ASP A 53 -11.906 -5.311 -2.769 1.00 64.22 C ATOM 836 O ASP A 53 -12.462 -6.361 -3.103 1.00 2.32 O ATOM 837 CB ASP A 53 -13.145 -3.246 -1.984 1.00 21.20 C ATOM 838 CG ASP A 53 -14.263 -3.533 -2.970 1.00 70.54 C ATOM 839 OD1 ASP A 53 -15.309 -4.069 -2.553 1.00 61.01 O ATOM 840 OD2 ASP A 53 -14.104 -3.218 -4.166 1.00 62.13 O ATOM 0 H ASP A 53 -11.228 -3.149 -0.458 1.00 44.54 H new ATOM 0 HA ASP A 53 -13.085 -5.161 -0.993 1.00 70.15 H new ATOM 0 HB2 ASP A 53 -13.559 -2.750 -1.106 1.00 21.20 H new ATOM 0 HB3 ASP A 53 -12.436 -2.553 -2.437 1.00 21.20 H new ATOM 845 N GLU A 54 -10.858 -4.810 -3.430 1.00 11.15 N ATOM 846 CA GLU A 54 -10.250 -5.513 -4.569 1.00 1.21 C ATOM 847 C GLU A 54 -9.766 -6.915 -4.167 1.00 31.41 C ATOM 848 O GLU A 54 -10.100 -7.911 -4.812 1.00 34.54 O ATOM 849 CB GLU A 54 -9.072 -4.700 -5.135 1.00 32.53 C ATOM 850 CG GLU A 54 -9.484 -3.529 -6.024 1.00 34.31 C ATOM 851 CD GLU A 54 -10.120 -3.987 -7.329 1.00 71.23 C ATOM 852 OE1 GLU A 54 -9.376 -4.369 -8.261 1.00 23.04 O ATOM 853 OE2 GLU A 54 -11.362 -3.983 -7.429 1.00 10.34 O ATOM 0 H GLU A 54 -10.412 -3.922 -3.198 1.00 11.15 H new ATOM 0 HA GLU A 54 -11.016 -5.621 -5.337 1.00 1.21 H new ATOM 0 HB2 GLU A 54 -8.477 -4.319 -4.305 1.00 32.53 H new ATOM 0 HB3 GLU A 54 -8.428 -5.367 -5.708 1.00 32.53 H new ATOM 0 HG2 GLU A 54 -10.187 -2.895 -5.483 1.00 34.31 H new ATOM 0 HG3 GLU A 54 -8.609 -2.918 -6.244 1.00 34.31 H new ATOM 860 N LEU A 55 -8.991 -6.984 -3.090 1.00 2.00 N ATOM 861 CA LEU A 55 -8.444 -8.257 -2.611 1.00 51.12 C ATOM 862 C LEU A 55 -9.556 -9.252 -2.223 1.00 2.13 C ATOM 863 O LEU A 55 -9.425 -10.456 -2.440 1.00 62.04 O ATOM 864 CB LEU A 55 -7.514 -8.003 -1.419 1.00 23.35 C ATOM 865 CG LEU A 55 -6.283 -7.124 -1.724 1.00 72.32 C ATOM 866 CD1 LEU A 55 -5.476 -6.857 -0.455 1.00 53.10 C ATOM 867 CD2 LEU A 55 -5.409 -7.775 -2.796 1.00 22.01 C ATOM 0 H LEU A 55 -8.725 -6.175 -2.529 1.00 2.00 H new ATOM 0 HA LEU A 55 -7.878 -8.708 -3.426 1.00 51.12 H new ATOM 0 HB2 LEU A 55 -8.090 -7.531 -0.623 1.00 23.35 H new ATOM 0 HB3 LEU A 55 -7.169 -8.964 -1.036 1.00 23.35 H new ATOM 0 HG LEU A 55 -6.636 -6.166 -2.106 1.00 72.32 H new ATOM 0 HD11 LEU A 55 -4.614 -6.235 -0.696 1.00 53.10 H new ATOM 0 HD12 LEU A 55 -6.103 -6.342 0.273 1.00 53.10 H new ATOM 0 HD13 LEU A 55 -5.135 -7.803 -0.035 1.00 53.10 H new ATOM 0 HD21 LEU A 55 -4.546 -7.140 -2.997 1.00 22.01 H new ATOM 0 HD22 LEU A 55 -5.069 -8.749 -2.446 1.00 22.01 H new ATOM 0 HD23 LEU A 55 -5.988 -7.900 -3.711 1.00 22.01 H new ATOM 879 N GLU A 56 -10.645 -8.742 -1.649 1.00 61.44 N ATOM 880 CA GLU A 56 -11.797 -9.576 -1.275 1.00 65.11 C ATOM 881 C GLU A 56 -12.647 -9.957 -2.500 1.00 1.20 C ATOM 882 O GLU A 56 -13.356 -10.967 -2.490 1.00 51.32 O ATOM 883 CB GLU A 56 -12.662 -8.847 -0.239 1.00 23.30 C ATOM 884 CG GLU A 56 -11.929 -8.556 1.068 1.00 53.01 C ATOM 885 CD GLU A 56 -12.781 -7.790 2.070 1.00 51.33 C ATOM 886 OE1 GLU A 56 -12.988 -6.574 1.875 1.00 65.42 O ATOM 887 OE2 GLU A 56 -13.233 -8.397 3.063 1.00 54.40 O ATOM 0 H GLU A 56 -10.758 -7.752 -1.430 1.00 61.44 H new ATOM 0 HA GLU A 56 -11.411 -10.498 -0.840 1.00 65.11 H new ATOM 0 HB2 GLU A 56 -13.013 -7.908 -0.667 1.00 23.30 H new ATOM 0 HB3 GLU A 56 -13.545 -9.450 -0.025 1.00 23.30 H new ATOM 0 HG2 GLU A 56 -11.609 -9.497 1.516 1.00 53.01 H new ATOM 0 HG3 GLU A 56 -11.027 -7.982 0.853 1.00 53.01 H new ATOM 894 N ALA A 57 -12.589 -9.136 -3.549 1.00 21.55 N ATOM 895 CA ALA A 57 -13.272 -9.443 -4.811 1.00 34.41 C ATOM 896 C ALA A 57 -12.551 -10.573 -5.555 1.00 63.53 C ATOM 897 O ALA A 57 -13.178 -11.423 -6.194 1.00 51.44 O ATOM 898 CB ALA A 57 -13.357 -8.198 -5.688 1.00 21.04 C ATOM 0 H ALA A 57 -12.077 -8.254 -3.552 1.00 21.55 H new ATOM 0 HA ALA A 57 -14.284 -9.775 -4.581 1.00 34.41 H new ATOM 0 HB1 ALA A 57 -13.866 -8.443 -6.620 1.00 21.04 H new ATOM 0 HB2 ALA A 57 -13.914 -7.421 -5.164 1.00 21.04 H new ATOM 0 HB3 ALA A 57 -12.352 -7.838 -5.908 1.00 21.04 H new ATOM 904 N LYS A 58 -11.226 -10.572 -5.461 1.00 1.40 N ATOM 905 CA LYS A 58 -10.395 -11.619 -6.055 1.00 50.41 C ATOM 906 C LYS A 58 -10.354 -12.858 -5.138 1.00 22.21 C ATOM 907 O LYS A 58 -9.562 -12.935 -4.198 1.00 31.22 O ATOM 908 CB LYS A 58 -8.983 -11.078 -6.297 1.00 43.41 C ATOM 909 CG LYS A 58 -8.941 -9.794 -7.121 1.00 33.34 C ATOM 910 CD LYS A 58 -7.533 -9.201 -7.167 1.00 43.35 C ATOM 911 CE LYS A 58 -7.483 -7.878 -7.924 1.00 63.43 C ATOM 912 NZ LYS A 58 -7.934 -8.017 -9.334 1.00 71.14 N ATOM 0 H LYS A 58 -10.697 -9.849 -4.973 1.00 1.40 H new ATOM 0 HA LYS A 58 -10.826 -11.920 -7.010 1.00 50.41 H new ATOM 0 HB2 LYS A 58 -8.506 -10.895 -5.334 1.00 43.41 H new ATOM 0 HB3 LYS A 58 -8.395 -11.842 -6.805 1.00 43.41 H new ATOM 0 HG2 LYS A 58 -9.283 -10.000 -8.135 1.00 33.34 H new ATOM 0 HG3 LYS A 58 -9.630 -9.065 -6.695 1.00 33.34 H new ATOM 0 HD2 LYS A 58 -7.173 -9.048 -6.150 1.00 43.35 H new ATOM 0 HD3 LYS A 58 -6.857 -9.913 -7.641 1.00 43.35 H new ATOM 0 HE2 LYS A 58 -8.110 -7.147 -7.415 1.00 63.43 H new ATOM 0 HE3 LYS A 58 -6.464 -7.491 -7.907 1.00 63.43 H new ATOM 0 HZ1 LYS A 58 -7.771 -7.123 -9.840 1.00 71.14 H new ATOM 0 HZ2 LYS A 58 -7.398 -8.779 -9.796 1.00 71.14 H new ATOM 0 HZ3 LYS A 58 -8.948 -8.246 -9.353 1.00 71.14 H new ATOM 926 N HIS A 59 -11.210 -13.833 -5.432 1.00 72.52 N ATOM 927 CA HIS A 59 -11.463 -14.961 -4.522 1.00 13.44 C ATOM 928 C HIS A 59 -10.259 -15.910 -4.369 1.00 33.44 C ATOM 929 O HIS A 59 -10.171 -16.651 -3.388 1.00 62.41 O ATOM 930 CB HIS A 59 -12.692 -15.749 -5.002 1.00 32.12 C ATOM 931 CG HIS A 59 -13.925 -14.906 -5.156 1.00 4.54 C ATOM 932 ND1 HIS A 59 -14.888 -15.142 -6.113 1.00 63.24 N ATOM 933 CD2 HIS A 59 -14.346 -13.818 -4.468 1.00 2.44 C ATOM 934 CE1 HIS A 59 -15.842 -14.239 -6.008 1.00 2.33 C ATOM 935 NE2 HIS A 59 -15.539 -13.425 -5.019 1.00 53.23 N ATOM 0 H HIS A 59 -11.747 -13.870 -6.299 1.00 72.52 H new ATOM 0 HA HIS A 59 -11.645 -14.532 -3.537 1.00 13.44 H new ATOM 0 HB2 HIS A 59 -12.461 -16.218 -5.958 1.00 32.12 H new ATOM 0 HB3 HIS A 59 -12.897 -16.552 -4.294 1.00 32.12 H new ATOM 0 HD2 HIS A 59 -13.837 -13.347 -3.640 1.00 2.44 H new ATOM 0 HE1 HIS A 59 -16.724 -14.177 -6.629 1.00 2.33 H new ATOM 0 HE2 HIS A 59 -16.100 -12.631 -4.712 1.00 53.23 H new ATOM 944 N TRP A 60 -9.333 -15.888 -5.328 1.00 1.10 N ATOM 945 CA TRP A 60 -8.178 -16.803 -5.308 1.00 61.21 C ATOM 946 C TRP A 60 -7.048 -16.306 -4.384 1.00 24.12 C ATOM 947 O TRP A 60 -6.054 -17.007 -4.172 1.00 54.25 O ATOM 948 CB TRP A 60 -7.646 -17.030 -6.735 1.00 5.33 C ATOM 949 CG TRP A 60 -7.199 -15.778 -7.440 1.00 74.52 C ATOM 950 CD1 TRP A 60 -7.988 -14.885 -8.104 1.00 31.22 C ATOM 951 CD2 TRP A 60 -5.855 -15.293 -7.564 1.00 50.24 C ATOM 952 NE1 TRP A 60 -7.222 -13.872 -8.625 1.00 43.21 N ATOM 953 CE2 TRP A 60 -5.909 -14.100 -8.309 1.00 75.55 C ATOM 954 CE3 TRP A 60 -4.612 -15.750 -7.114 1.00 61.45 C ATOM 955 CZ2 TRP A 60 -4.770 -13.359 -8.613 1.00 12.14 C ATOM 956 CZ3 TRP A 60 -3.482 -15.014 -7.416 1.00 22.41 C ATOM 957 CH2 TRP A 60 -3.568 -13.829 -8.159 1.00 4.21 C ATOM 0 H TRP A 60 -9.354 -15.253 -6.126 1.00 1.10 H new ATOM 0 HA TRP A 60 -8.529 -17.751 -4.901 1.00 61.21 H new ATOM 0 HB2 TRP A 60 -6.808 -17.726 -6.691 1.00 5.33 H new ATOM 0 HB3 TRP A 60 -8.426 -17.507 -7.328 1.00 5.33 H new ATOM 0 HD1 TRP A 60 -9.060 -14.964 -8.205 1.00 31.22 H new ATOM 0 HE1 TRP A 60 -7.574 -13.078 -9.161 1.00 43.21 H new ATOM 0 HE3 TRP A 60 -4.537 -16.662 -6.541 1.00 61.45 H new ATOM 0 HZ2 TRP A 60 -4.833 -12.446 -9.187 1.00 12.14 H new ATOM 0 HZ3 TRP A 60 -2.517 -15.358 -7.074 1.00 22.41 H new ATOM 0 HH2 TRP A 60 -2.667 -13.275 -8.378 1.00 4.21 H new ATOM 968 N ILE A 61 -7.208 -15.105 -3.830 1.00 43.15 N ATOM 969 CA ILE A 61 -6.208 -14.522 -2.921 1.00 53.32 C ATOM 970 C ILE A 61 -6.194 -15.229 -1.554 1.00 71.32 C ATOM 971 O ILE A 61 -7.245 -15.509 -0.971 1.00 64.31 O ATOM 972 CB ILE A 61 -6.454 -12.993 -2.719 1.00 13.00 C ATOM 973 CG1 ILE A 61 -5.853 -12.177 -3.878 1.00 52.30 C ATOM 974 CG2 ILE A 61 -5.880 -12.503 -1.389 1.00 4.13 C ATOM 975 CD1 ILE A 61 -6.251 -12.653 -5.256 1.00 51.03 C ATOM 0 H ILE A 61 -8.021 -14.511 -3.992 1.00 43.15 H new ATOM 0 HA ILE A 61 -5.235 -14.667 -3.391 1.00 53.32 H new ATOM 0 HB ILE A 61 -7.533 -12.843 -2.704 1.00 13.00 H new ATOM 0 HG12 ILE A 61 -6.155 -11.136 -3.767 1.00 52.30 H new ATOM 0 HG13 ILE A 61 -4.766 -12.204 -3.799 1.00 52.30 H new ATOM 0 HG21 ILE A 61 -6.070 -11.435 -1.282 1.00 4.13 H new ATOM 0 HG22 ILE A 61 -6.355 -13.040 -0.568 1.00 4.13 H new ATOM 0 HG23 ILE A 61 -4.805 -12.685 -1.367 1.00 4.13 H new ATOM 0 HD11 ILE A 61 -5.782 -12.020 -6.009 1.00 51.03 H new ATOM 0 HD12 ILE A 61 -5.924 -13.684 -5.393 1.00 51.03 H new ATOM 0 HD13 ILE A 61 -7.335 -12.599 -5.361 1.00 51.03 H new ATOM 987 N ALA A 62 -4.991 -15.523 -1.056 1.00 71.40 N ATOM 988 CA ALA A 62 -4.817 -16.081 0.287 1.00 30.44 C ATOM 989 C ALA A 62 -5.031 -14.995 1.355 1.00 41.21 C ATOM 990 O ALA A 62 -4.330 -13.979 1.368 1.00 20.10 O ATOM 991 CB ALA A 62 -3.429 -16.698 0.418 1.00 51.22 C ATOM 0 H ALA A 62 -4.119 -15.383 -1.566 1.00 71.40 H new ATOM 0 HA ALA A 62 -5.563 -16.861 0.443 1.00 30.44 H new ATOM 0 HB1 ALA A 62 -3.307 -17.111 1.419 1.00 51.22 H new ATOM 0 HB2 ALA A 62 -3.313 -17.493 -0.319 1.00 51.22 H new ATOM 0 HB3 ALA A 62 -2.673 -15.932 0.247 1.00 51.22 H new ATOM 997 N GLU A 63 -5.995 -15.211 2.249 1.00 52.42 N ATOM 998 CA GLU A 63 -6.378 -14.183 3.222 1.00 63.24 C ATOM 999 C GLU A 63 -5.196 -13.735 4.099 1.00 43.04 C ATOM 1000 O GLU A 63 -4.969 -12.539 4.275 1.00 3.54 O ATOM 1001 CB GLU A 63 -7.536 -14.660 4.106 1.00 3.43 C ATOM 1002 CG GLU A 63 -8.026 -13.584 5.067 1.00 53.43 C ATOM 1003 CD GLU A 63 -9.330 -13.950 5.751 1.00 13.01 C ATOM 1004 OE1 GLU A 63 -9.287 -14.590 6.823 1.00 2.14 O ATOM 1005 OE2 GLU A 63 -10.401 -13.592 5.212 1.00 52.12 O ATOM 0 H GLU A 63 -6.523 -16.081 2.322 1.00 52.42 H new ATOM 0 HA GLU A 63 -6.706 -13.320 2.643 1.00 63.24 H new ATOM 0 HB2 GLU A 63 -8.363 -14.979 3.472 1.00 3.43 H new ATOM 0 HB3 GLU A 63 -7.217 -15.532 4.676 1.00 3.43 H new ATOM 0 HG2 GLU A 63 -7.262 -13.406 5.824 1.00 53.43 H new ATOM 0 HG3 GLU A 63 -8.158 -12.650 4.521 1.00 53.43 H new ATOM 1012 N ALA A 64 -4.445 -14.691 4.640 1.00 13.31 N ATOM 1013 CA ALA A 64 -3.279 -14.378 5.481 1.00 23.34 C ATOM 1014 C ALA A 64 -2.312 -13.411 4.775 1.00 70.21 C ATOM 1015 O ALA A 64 -1.759 -12.495 5.394 1.00 12.24 O ATOM 1016 CB ALA A 64 -2.557 -15.664 5.871 1.00 3.24 C ATOM 0 H ALA A 64 -4.618 -15.689 4.515 1.00 13.31 H new ATOM 0 HA ALA A 64 -3.639 -13.881 6.382 1.00 23.34 H new ATOM 0 HB1 ALA A 64 -1.695 -15.423 6.493 1.00 3.24 H new ATOM 0 HB2 ALA A 64 -3.237 -16.309 6.427 1.00 3.24 H new ATOM 0 HB3 ALA A 64 -2.222 -16.180 4.971 1.00 3.24 H new ATOM 1022 N ASP A 65 -2.133 -13.606 3.470 1.00 72.03 N ATOM 1023 CA ASP A 65 -1.246 -12.758 2.669 1.00 0.30 C ATOM 1024 C ASP A 65 -1.873 -11.382 2.363 1.00 10.51 C ATOM 1025 O ASP A 65 -1.182 -10.360 2.412 1.00 44.44 O ATOM 1026 CB ASP A 65 -0.860 -13.482 1.375 1.00 24.43 C ATOM 1027 CG ASP A 65 -0.006 -14.709 1.649 1.00 60.34 C ATOM 1028 OD1 ASP A 65 1.233 -14.567 1.739 1.00 54.24 O ATOM 1029 OD2 ASP A 65 -0.566 -15.815 1.807 1.00 1.00 O ATOM 0 H ASP A 65 -2.592 -14.347 2.941 1.00 72.03 H new ATOM 0 HA ASP A 65 -0.347 -12.570 3.256 1.00 0.30 H new ATOM 0 HB2 ASP A 65 -1.763 -13.779 0.841 1.00 24.43 H new ATOM 0 HB3 ASP A 65 -0.316 -12.798 0.724 1.00 24.43 H new ATOM 1034 N ARG A 66 -3.177 -11.338 2.056 1.00 32.03 N ATOM 1035 CA ARG A 66 -3.843 -10.045 1.827 1.00 1.01 C ATOM 1036 C ARG A 66 -3.856 -9.214 3.120 1.00 31.42 C ATOM 1037 O ARG A 66 -3.772 -7.990 3.084 1.00 51.12 O ATOM 1038 CB ARG A 66 -5.278 -10.213 1.284 1.00 10.42 C ATOM 1039 CG ARG A 66 -6.304 -10.681 2.312 1.00 60.43 C ATOM 1040 CD ARG A 66 -7.725 -10.683 1.744 1.00 61.34 C ATOM 1041 NE ARG A 66 -8.703 -11.187 2.713 1.00 42.10 N ATOM 1042 CZ ARG A 66 -9.518 -10.432 3.406 1.00 21.53 C ATOM 1043 NH1 ARG A 66 -9.531 -9.147 3.239 1.00 34.35 N ATOM 1044 NH2 ARG A 66 -10.323 -10.969 4.265 1.00 14.31 N ATOM 0 H ARG A 66 -3.779 -12.156 1.962 1.00 32.03 H new ATOM 0 HA ARG A 66 -3.269 -9.518 1.065 1.00 1.01 H new ATOM 0 HB2 ARG A 66 -5.608 -9.260 0.871 1.00 10.42 H new ATOM 0 HB3 ARG A 66 -5.258 -10.927 0.461 1.00 10.42 H new ATOM 0 HG2 ARG A 66 -6.047 -11.685 2.649 1.00 60.43 H new ATOM 0 HG3 ARG A 66 -6.264 -10.031 3.186 1.00 60.43 H new ATOM 0 HD2 ARG A 66 -7.998 -9.671 1.447 1.00 61.34 H new ATOM 0 HD3 ARG A 66 -7.755 -11.298 0.845 1.00 61.34 H new ATOM 0 HE ARG A 66 -8.752 -12.196 2.857 1.00 42.10 H new ATOM 0 HH11 ARG A 66 -8.902 -8.714 2.562 1.00 34.35 H new ATOM 0 HH12 ARG A 66 -10.170 -8.568 3.784 1.00 34.35 H new ATOM 0 HH21 ARG A 66 -10.322 -11.980 4.402 1.00 14.31 H new ATOM 0 HH22 ARG A 66 -10.958 -10.382 4.805 1.00 14.31 H new ATOM 1058 N ILE A 67 -3.951 -9.891 4.263 1.00 31.10 N ATOM 1059 CA ILE A 67 -3.869 -9.221 5.565 1.00 55.03 C ATOM 1060 C ILE A 67 -2.479 -8.596 5.768 1.00 55.45 C ATOM 1061 O ILE A 67 -2.360 -7.484 6.278 1.00 62.24 O ATOM 1062 CB ILE A 67 -4.196 -10.202 6.726 1.00 30.33 C ATOM 1063 CG1 ILE A 67 -5.653 -10.691 6.625 1.00 71.32 C ATOM 1064 CG2 ILE A 67 -3.939 -9.559 8.089 1.00 64.55 C ATOM 1065 CD1 ILE A 67 -6.689 -9.578 6.659 1.00 51.52 C ATOM 0 H ILE A 67 -4.085 -10.901 4.317 1.00 31.10 H new ATOM 0 HA ILE A 67 -4.614 -8.425 5.576 1.00 55.03 H new ATOM 0 HB ILE A 67 -3.532 -11.061 6.633 1.00 30.33 H new ATOM 0 HG12 ILE A 67 -5.772 -11.254 5.699 1.00 71.32 H new ATOM 0 HG13 ILE A 67 -5.850 -11.381 7.446 1.00 71.32 H new ATOM 0 HG21 ILE A 67 -4.178 -10.272 8.878 1.00 64.55 H new ATOM 0 HG22 ILE A 67 -2.890 -9.272 8.164 1.00 64.55 H new ATOM 0 HG23 ILE A 67 -4.566 -8.674 8.198 1.00 64.55 H new ATOM 0 HD11 ILE A 67 -7.688 -10.008 6.583 1.00 51.52 H new ATOM 0 HD12 ILE A 67 -6.601 -9.028 7.596 1.00 51.52 H new ATOM 0 HD13 ILE A 67 -6.522 -8.899 5.823 1.00 51.52 H new ATOM 1077 N ASN A 68 -1.434 -9.311 5.341 1.00 51.44 N ATOM 1078 CA ASN A 68 -0.062 -8.782 5.367 1.00 51.52 C ATOM 1079 C ASN A 68 0.018 -7.405 4.680 1.00 73.12 C ATOM 1080 O ASN A 68 0.385 -6.407 5.307 1.00 42.31 O ATOM 1081 CB ASN A 68 0.890 -9.772 4.674 1.00 43.50 C ATOM 1082 CG ASN A 68 2.313 -9.244 4.528 1.00 25.34 C ATOM 1083 OD1 ASN A 68 2.812 -8.508 5.374 1.00 43.31 O ATOM 1084 ND2 ASN A 68 2.976 -9.615 3.450 1.00 73.32 N ATOM 0 H ASN A 68 -1.509 -10.259 4.972 1.00 51.44 H new ATOM 0 HA ASN A 68 0.237 -8.657 6.408 1.00 51.52 H new ATOM 0 HB2 ASN A 68 0.912 -10.702 5.243 1.00 43.50 H new ATOM 0 HB3 ASN A 68 0.496 -10.012 3.686 1.00 43.50 H new ATOM 0 HD21 ASN A 68 3.931 -9.289 3.301 1.00 73.32 H new ATOM 0 HD22 ASN A 68 2.534 -10.228 2.765 1.00 73.32 H new ATOM 1091 N VAL A 69 -0.352 -7.357 3.399 1.00 3.52 N ATOM 1092 CA VAL A 69 -0.288 -6.110 2.629 1.00 73.22 C ATOM 1093 C VAL A 69 -1.252 -5.037 3.169 1.00 3.13 C ATOM 1094 O VAL A 69 -0.950 -3.846 3.119 1.00 13.13 O ATOM 1095 CB VAL A 69 -0.557 -6.343 1.118 1.00 21.51 C ATOM 1096 CG1 VAL A 69 0.491 -7.283 0.521 1.00 53.41 C ATOM 1097 CG2 VAL A 69 -1.970 -6.876 0.876 1.00 5.32 C ATOM 0 H VAL A 69 -0.697 -8.161 2.874 1.00 3.52 H new ATOM 0 HA VAL A 69 0.731 -5.743 2.747 1.00 73.22 H new ATOM 0 HB VAL A 69 -0.480 -5.379 0.615 1.00 21.51 H new ATOM 0 HG11 VAL A 69 0.284 -7.433 -0.539 1.00 53.41 H new ATOM 0 HG12 VAL A 69 1.482 -6.845 0.639 1.00 53.41 H new ATOM 0 HG13 VAL A 69 0.455 -8.243 1.037 1.00 53.41 H new ATOM 0 HG21 VAL A 69 -2.124 -7.028 -0.192 1.00 5.32 H new ATOM 0 HG22 VAL A 69 -2.096 -7.824 1.399 1.00 5.32 H new ATOM 0 HG23 VAL A 69 -2.699 -6.157 1.249 1.00 5.32 H new ATOM 1107 N LEU A 70 -2.405 -5.458 3.694 1.00 31.20 N ATOM 1108 CA LEU A 70 -3.379 -4.516 4.266 1.00 51.13 C ATOM 1109 C LEU A 70 -2.856 -3.857 5.554 1.00 50.12 C ATOM 1110 O LEU A 70 -3.046 -2.655 5.767 1.00 44.24 O ATOM 1111 CB LEU A 70 -4.716 -5.222 4.544 1.00 50.15 C ATOM 1112 CG LEU A 70 -5.539 -5.586 3.297 1.00 70.31 C ATOM 1113 CD1 LEU A 70 -6.806 -6.344 3.684 1.00 20.12 C ATOM 1114 CD2 LEU A 70 -5.886 -4.333 2.495 1.00 74.51 C ATOM 0 H LEU A 70 -2.689 -6.437 3.737 1.00 31.20 H new ATOM 0 HA LEU A 70 -3.534 -3.729 3.528 1.00 51.13 H new ATOM 0 HB2 LEU A 70 -4.516 -6.134 5.106 1.00 50.15 H new ATOM 0 HB3 LEU A 70 -5.321 -4.579 5.184 1.00 50.15 H new ATOM 0 HG LEU A 70 -4.932 -6.238 2.669 1.00 70.31 H new ATOM 0 HD11 LEU A 70 -7.371 -6.590 2.785 1.00 20.12 H new ATOM 0 HD12 LEU A 70 -6.536 -7.262 4.206 1.00 20.12 H new ATOM 0 HD13 LEU A 70 -7.417 -5.722 4.338 1.00 20.12 H new ATOM 0 HD21 LEU A 70 -6.468 -4.613 1.617 1.00 74.51 H new ATOM 0 HD22 LEU A 70 -6.470 -3.653 3.116 1.00 74.51 H new ATOM 0 HD23 LEU A 70 -4.968 -3.838 2.179 1.00 74.51 H new ATOM 1126 N ASN A 71 -2.211 -4.640 6.415 1.00 44.11 N ATOM 1127 CA ASN A 71 -1.647 -4.104 7.658 1.00 73.40 C ATOM 1128 C ASN A 71 -0.514 -3.108 7.377 1.00 34.14 C ATOM 1129 O ASN A 71 -0.537 -1.974 7.863 1.00 73.03 O ATOM 1130 CB ASN A 71 -1.139 -5.232 8.562 1.00 14.41 C ATOM 1131 CG ASN A 71 -2.253 -6.128 9.072 1.00 0.54 C ATOM 1132 OD1 ASN A 71 -3.405 -5.718 9.177 1.00 71.43 O ATOM 1133 ND2 ASN A 71 -1.915 -7.353 9.414 1.00 61.33 N ATOM 0 H ASN A 71 -2.065 -5.640 6.280 1.00 44.11 H new ATOM 0 HA ASN A 71 -2.448 -3.575 8.173 1.00 73.40 H new ATOM 0 HB2 ASN A 71 -0.418 -5.836 8.011 1.00 14.41 H new ATOM 0 HB3 ASN A 71 -0.610 -4.800 9.411 1.00 14.41 H new ATOM 0 HD21 ASN A 71 -2.620 -7.993 9.779 1.00 61.33 H new ATOM 0 HD22 ASN A 71 -0.948 -7.662 9.314 1.00 61.33 H new ATOM 1140 N GLN A 72 0.469 -3.527 6.574 1.00 71.32 N ATOM 1141 CA GLN A 72 1.593 -2.653 6.216 1.00 35.21 C ATOM 1142 C GLN A 72 1.113 -1.406 5.447 1.00 54.23 C ATOM 1143 O GLN A 72 1.645 -0.311 5.635 1.00 22.23 O ATOM 1144 CB GLN A 72 2.647 -3.427 5.404 1.00 74.44 C ATOM 1145 CG GLN A 72 2.153 -3.948 4.056 1.00 61.14 C ATOM 1146 CD GLN A 72 3.144 -4.879 3.365 1.00 5.44 C ATOM 1147 OE1 GLN A 72 3.213 -4.934 2.143 1.00 24.45 O ATOM 1148 NE2 GLN A 72 3.911 -5.627 4.136 1.00 3.54 N ATOM 0 H GLN A 72 0.511 -4.459 6.162 1.00 71.32 H new ATOM 0 HA GLN A 72 2.057 -2.311 7.141 1.00 35.21 H new ATOM 0 HB2 GLN A 72 3.506 -2.777 5.235 1.00 74.44 H new ATOM 0 HB3 GLN A 72 2.997 -4.271 5.999 1.00 74.44 H new ATOM 0 HG2 GLN A 72 1.211 -4.477 4.202 1.00 61.14 H new ATOM 0 HG3 GLN A 72 1.945 -3.101 3.402 1.00 61.14 H new ATOM 0 HE21 GLN A 72 3.833 -5.561 5.151 1.00 3.54 H new ATOM 0 HE22 GLN A 72 4.582 -6.271 3.717 1.00 3.54 H new ATOM 1157 N ALA A 73 0.094 -1.574 4.592 1.00 20.12 N ATOM 1158 CA ALA A 73 -0.534 -0.437 3.902 1.00 50.32 C ATOM 1159 C ALA A 73 -1.061 0.585 4.912 1.00 42.51 C ATOM 1160 O ALA A 73 -0.796 1.783 4.801 1.00 3.54 O ATOM 1161 CB ALA A 73 -1.664 -0.914 2.991 1.00 62.04 C ATOM 0 H ALA A 73 -0.312 -2.481 4.362 1.00 20.12 H new ATOM 0 HA ALA A 73 0.225 0.045 3.286 1.00 50.32 H new ATOM 0 HB1 ALA A 73 -2.114 -0.057 2.491 1.00 62.04 H new ATOM 0 HB2 ALA A 73 -1.265 -1.601 2.245 1.00 62.04 H new ATOM 0 HB3 ALA A 73 -2.420 -1.425 3.587 1.00 62.04 H new ATOM 1167 N THR A 74 -1.792 0.095 5.913 1.00 31.53 N ATOM 1168 CA THR A 74 -2.300 0.947 6.995 1.00 2.03 C ATOM 1169 C THR A 74 -1.157 1.720 7.672 1.00 31.40 C ATOM 1170 O THR A 74 -1.233 2.939 7.844 1.00 1.43 O ATOM 1171 CB THR A 74 -3.053 0.119 8.070 1.00 72.04 C ATOM 1172 OG1 THR A 74 -4.175 -0.553 7.481 1.00 3.21 O ATOM 1173 CG2 THR A 74 -3.541 1.004 9.217 1.00 22.31 C ATOM 0 H THR A 74 -2.047 -0.889 6.000 1.00 31.53 H new ATOM 0 HA THR A 74 -2.996 1.651 6.539 1.00 2.03 H new ATOM 0 HB THR A 74 -2.352 -0.613 8.471 1.00 72.04 H new ATOM 0 HG1 THR A 74 -3.856 -1.269 6.893 1.00 3.21 H new ATOM 0 HG21 THR A 74 -4.064 0.392 9.952 1.00 22.31 H new ATOM 0 HG22 THR A 74 -2.688 1.489 9.690 1.00 22.31 H new ATOM 0 HG23 THR A 74 -4.220 1.763 8.828 1.00 22.31 H new ATOM 1181 N GLU A 75 -0.091 1.007 8.037 1.00 45.24 N ATOM 1182 CA GLU A 75 1.073 1.621 8.691 1.00 2.31 C ATOM 1183 C GLU A 75 1.686 2.736 7.825 1.00 12.20 C ATOM 1184 O GLU A 75 2.004 3.820 8.325 1.00 50.31 O ATOM 1185 CB GLU A 75 2.134 0.552 8.999 1.00 54.25 C ATOM 1186 CG GLU A 75 1.632 -0.567 9.907 1.00 24.43 C ATOM 1187 CD GLU A 75 2.693 -1.620 10.198 1.00 55.35 C ATOM 1188 OE1 GLU A 75 2.925 -2.493 9.341 1.00 24.43 O ATOM 1189 OE2 GLU A 75 3.292 -1.583 11.294 1.00 44.14 O ATOM 0 H GLU A 75 -0.006 0.001 7.892 1.00 45.24 H new ATOM 0 HA GLU A 75 0.731 2.070 9.623 1.00 2.31 H new ATOM 0 HB2 GLU A 75 2.483 0.118 8.062 1.00 54.25 H new ATOM 0 HB3 GLU A 75 2.994 1.031 9.468 1.00 54.25 H new ATOM 0 HG2 GLU A 75 1.288 -0.137 10.848 1.00 24.43 H new ATOM 0 HG3 GLU A 75 0.771 -1.046 9.441 1.00 24.43 H new ATOM 1196 N VAL A 76 1.843 2.468 6.528 1.00 71.45 N ATOM 1197 CA VAL A 76 2.363 3.467 5.582 1.00 21.21 C ATOM 1198 C VAL A 76 1.444 4.700 5.500 1.00 41.13 C ATOM 1199 O VAL A 76 1.913 5.838 5.529 1.00 13.03 O ATOM 1200 CB VAL A 76 2.545 2.865 4.163 1.00 22.24 C ATOM 1201 CG1 VAL A 76 2.974 3.939 3.160 1.00 64.52 C ATOM 1202 CG2 VAL A 76 3.553 1.715 4.190 1.00 4.52 C ATOM 0 H VAL A 76 1.618 1.568 6.104 1.00 71.45 H new ATOM 0 HA VAL A 76 3.336 3.778 5.961 1.00 21.21 H new ATOM 0 HB VAL A 76 1.582 2.470 3.839 1.00 22.24 H new ATOM 0 HG11 VAL A 76 3.094 3.489 2.174 1.00 64.52 H new ATOM 0 HG12 VAL A 76 2.213 4.718 3.113 1.00 64.52 H new ATOM 0 HG13 VAL A 76 3.921 4.376 3.477 1.00 64.52 H new ATOM 0 HG21 VAL A 76 3.666 1.307 3.186 1.00 4.52 H new ATOM 0 HG22 VAL A 76 4.516 2.084 4.543 1.00 4.52 H new ATOM 0 HG23 VAL A 76 3.196 0.934 4.861 1.00 4.52 H new ATOM 1212 N ILE A 77 0.135 4.466 5.409 1.00 41.50 N ATOM 1213 CA ILE A 77 -0.851 5.555 5.360 1.00 42.20 C ATOM 1214 C ILE A 77 -0.753 6.472 6.597 1.00 52.41 C ATOM 1215 O ILE A 77 -0.700 7.700 6.474 1.00 4.14 O ATOM 1216 CB ILE A 77 -2.291 4.990 5.238 1.00 35.20 C ATOM 1217 CG1 ILE A 77 -2.465 4.266 3.890 1.00 31.33 C ATOM 1218 CG2 ILE A 77 -3.332 6.096 5.394 1.00 64.12 C ATOM 1219 CD1 ILE A 77 -3.831 3.634 3.694 1.00 73.14 C ATOM 0 H ILE A 77 -0.272 3.532 5.367 1.00 41.50 H new ATOM 0 HA ILE A 77 -0.625 6.152 4.476 1.00 42.20 H new ATOM 0 HB ILE A 77 -2.446 4.273 6.044 1.00 35.20 H new ATOM 0 HG12 ILE A 77 -2.287 4.977 3.083 1.00 31.33 H new ATOM 0 HG13 ILE A 77 -1.703 3.491 3.806 1.00 31.33 H new ATOM 0 HG21 ILE A 77 -4.331 5.670 5.304 1.00 64.12 H new ATOM 0 HG22 ILE A 77 -3.223 6.563 6.373 1.00 64.12 H new ATOM 0 HG23 ILE A 77 -3.186 6.846 4.617 1.00 64.12 H new ATOM 0 HD11 ILE A 77 -3.870 3.145 2.720 1.00 73.14 H new ATOM 0 HD12 ILE A 77 -4.007 2.897 4.477 1.00 73.14 H new ATOM 0 HD13 ILE A 77 -4.599 4.406 3.743 1.00 73.14 H new ATOM 1231 N ASN A 78 -0.721 5.870 7.788 1.00 71.24 N ATOM 1232 CA ASN A 78 -0.565 6.636 9.033 1.00 41.13 C ATOM 1233 C ASN A 78 0.796 7.352 9.086 1.00 22.30 C ATOM 1234 O ASN A 78 0.894 8.477 9.579 1.00 60.14 O ATOM 1235 CB ASN A 78 -0.728 5.731 10.260 1.00 61.20 C ATOM 1236 CG ASN A 78 -2.162 5.277 10.463 1.00 53.41 C ATOM 1237 OD1 ASN A 78 -2.953 5.941 11.126 1.00 64.03 O ATOM 1238 ND2 ASN A 78 -2.508 4.136 9.909 1.00 54.11 N ATOM 0 H ASN A 78 -0.800 4.862 7.920 1.00 71.24 H new ATOM 0 HA ASN A 78 -1.351 7.391 9.047 1.00 41.13 H new ATOM 0 HB2 ASN A 78 -0.086 4.857 10.150 1.00 61.20 H new ATOM 0 HB3 ASN A 78 -0.390 6.265 11.148 1.00 61.20 H new ATOM 0 HD21 ASN A 78 -3.457 3.780 10.025 1.00 54.11 H new ATOM 0 HD22 ASN A 78 -1.828 3.607 9.363 1.00 54.11 H new ATOM 1245 N PHE A 79 1.837 6.695 8.569 1.00 34.13 N ATOM 1246 CA PHE A 79 3.188 7.274 8.534 1.00 51.41 C ATOM 1247 C PHE A 79 3.234 8.522 7.635 1.00 5.01 C ATOM 1248 O PHE A 79 3.738 9.571 8.034 1.00 73.31 O ATOM 1249 CB PHE A 79 4.195 6.223 8.038 1.00 54.11 C ATOM 1250 CG PHE A 79 5.635 6.670 8.099 1.00 31.12 C ATOM 1251 CD1 PHE A 79 6.300 6.739 9.316 1.00 23.21 C ATOM 1252 CD2 PHE A 79 6.323 7.018 6.945 1.00 33.52 C ATOM 1253 CE1 PHE A 79 7.619 7.146 9.379 1.00 55.52 C ATOM 1254 CE2 PHE A 79 7.642 7.425 7.004 1.00 1.34 C ATOM 1255 CZ PHE A 79 8.292 7.489 8.222 1.00 4.43 C ATOM 0 H PHE A 79 1.773 5.760 8.167 1.00 34.13 H new ATOM 0 HA PHE A 79 3.456 7.579 9.546 1.00 51.41 H new ATOM 0 HB2 PHE A 79 4.082 5.318 8.634 1.00 54.11 H new ATOM 0 HB3 PHE A 79 3.951 5.960 7.009 1.00 54.11 H new ATOM 0 HD1 PHE A 79 5.780 6.471 10.224 1.00 23.21 H new ATOM 0 HD2 PHE A 79 5.821 6.970 5.990 1.00 33.52 H new ATOM 0 HE1 PHE A 79 8.124 7.196 10.332 1.00 55.52 H new ATOM 0 HE2 PHE A 79 8.165 7.693 6.098 1.00 1.34 H new ATOM 0 HZ PHE A 79 9.323 7.806 8.269 1.00 4.43 H new ATOM 1265 N TRP A 80 2.698 8.400 6.421 1.00 22.15 N ATOM 1266 CA TRP A 80 2.613 9.531 5.490 1.00 25.42 C ATOM 1267 C TRP A 80 1.833 10.699 6.121 1.00 22.21 C ATOM 1268 O TRP A 80 2.233 11.862 6.020 1.00 65.13 O ATOM 1269 CB TRP A 80 1.938 9.086 4.183 1.00 12.14 C ATOM 1270 CG TRP A 80 1.870 10.172 3.148 1.00 21.25 C ATOM 1271 CD1 TRP A 80 2.810 10.461 2.202 1.00 54.52 C ATOM 1272 CD2 TRP A 80 0.807 11.113 2.956 1.00 45.21 C ATOM 1273 NE1 TRP A 80 2.398 11.521 1.435 1.00 13.32 N ATOM 1274 CE2 TRP A 80 1.173 11.939 1.877 1.00 61.14 C ATOM 1275 CE3 TRP A 80 -0.421 11.334 3.590 1.00 50.45 C ATOM 1276 CZ2 TRP A 80 0.361 12.968 1.420 1.00 60.13 C ATOM 1277 CZ3 TRP A 80 -1.225 12.360 3.135 1.00 24.14 C ATOM 1278 CH2 TRP A 80 -0.831 13.163 2.058 1.00 50.21 C ATOM 0 H TRP A 80 2.315 7.528 6.056 1.00 22.15 H new ATOM 0 HA TRP A 80 3.624 9.874 5.269 1.00 25.42 H new ATOM 0 HB2 TRP A 80 2.483 8.236 3.772 1.00 12.14 H new ATOM 0 HB3 TRP A 80 0.928 8.740 4.404 1.00 12.14 H new ATOM 0 HD1 TRP A 80 3.743 9.932 2.076 1.00 54.52 H new ATOM 0 HE1 TRP A 80 2.920 11.931 0.661 1.00 13.32 H new ATOM 0 HE3 TRP A 80 -0.733 10.715 4.418 1.00 50.45 H new ATOM 0 HZ2 TRP A 80 0.661 13.591 0.591 1.00 60.13 H new ATOM 0 HZ3 TRP A 80 -2.173 12.546 3.618 1.00 24.14 H new ATOM 0 HH2 TRP A 80 -1.485 13.955 1.724 1.00 50.21 H new ATOM 1289 N GLN A 81 0.715 10.376 6.776 1.00 4.42 N ATOM 1290 CA GLN A 81 -0.077 11.373 7.504 1.00 11.34 C ATOM 1291 C GLN A 81 0.761 12.028 8.619 1.00 64.42 C ATOM 1292 O GLN A 81 0.699 13.242 8.831 1.00 34.14 O ATOM 1293 CB GLN A 81 -1.337 10.715 8.094 1.00 13.11 C ATOM 1294 CG GLN A 81 -2.285 11.690 8.790 1.00 62.12 C ATOM 1295 CD GLN A 81 -3.495 10.999 9.402 1.00 43.33 C ATOM 1296 OE1 GLN A 81 -3.426 9.844 9.814 1.00 51.43 O ATOM 1297 NE2 GLN A 81 -4.610 11.698 9.469 1.00 33.12 N ATOM 0 H GLN A 81 0.336 9.430 6.818 1.00 4.42 H new ATOM 0 HA GLN A 81 -0.380 12.153 6.806 1.00 11.34 H new ATOM 0 HB2 GLN A 81 -1.877 10.209 7.294 1.00 13.11 H new ATOM 0 HB3 GLN A 81 -1.033 9.949 8.808 1.00 13.11 H new ATOM 0 HG2 GLN A 81 -1.742 12.222 9.571 1.00 62.12 H new ATOM 0 HG3 GLN A 81 -2.623 12.437 8.071 1.00 62.12 H new ATOM 0 HE21 GLN A 81 -4.634 12.655 9.118 1.00 33.12 H new ATOM 0 HE22 GLN A 81 -5.449 11.282 9.872 1.00 33.12 H new ATOM 1306 N ASP A 82 1.552 11.208 9.317 1.00 12.34 N ATOM 1307 CA ASP A 82 2.485 11.693 10.345 1.00 1.35 C ATOM 1308 C ASP A 82 3.424 12.763 9.771 1.00 33.43 C ATOM 1309 O ASP A 82 3.683 13.796 10.398 1.00 13.41 O ATOM 1310 CB ASP A 82 3.304 10.513 10.892 1.00 1.40 C ATOM 1311 CG ASP A 82 4.357 10.933 11.902 1.00 35.31 C ATOM 1312 OD1 ASP A 82 4.024 11.044 13.098 1.00 13.25 O ATOM 1313 OD2 ASP A 82 5.524 11.164 11.509 1.00 21.10 O ATOM 0 H ASP A 82 1.566 10.196 9.189 1.00 12.34 H new ATOM 0 HA ASP A 82 1.910 12.144 11.153 1.00 1.35 H new ATOM 0 HB2 ASP A 82 2.629 9.795 11.358 1.00 1.40 H new ATOM 0 HB3 ASP A 82 3.790 10.001 10.062 1.00 1.40 H new ATOM 1318 N LEU A 83 3.924 12.502 8.567 1.00 32.51 N ATOM 1319 CA LEU A 83 4.832 13.422 7.883 1.00 32.34 C ATOM 1320 C LEU A 83 4.109 14.705 7.450 1.00 61.02 C ATOM 1321 O LEU A 83 4.622 15.807 7.647 1.00 63.33 O ATOM 1322 CB LEU A 83 5.449 12.734 6.659 1.00 60.10 C ATOM 1323 CG LEU A 83 6.057 11.346 6.923 1.00 24.44 C ATOM 1324 CD1 LEU A 83 6.665 10.771 5.650 1.00 2.21 C ATOM 1325 CD2 LEU A 83 7.091 11.401 8.046 1.00 60.13 C ATOM 0 H LEU A 83 3.715 11.654 8.040 1.00 32.51 H new ATOM 0 HA LEU A 83 5.620 13.698 8.583 1.00 32.34 H new ATOM 0 HB2 LEU A 83 4.681 12.636 5.892 1.00 60.10 H new ATOM 0 HB3 LEU A 83 6.226 13.381 6.252 1.00 60.10 H new ATOM 0 HG LEU A 83 5.253 10.684 7.244 1.00 24.44 H new ATOM 0 HD11 LEU A 83 7.089 9.789 5.861 1.00 2.21 H new ATOM 0 HD12 LEU A 83 5.891 10.676 4.888 1.00 2.21 H new ATOM 0 HD13 LEU A 83 7.450 11.436 5.289 1.00 2.21 H new ATOM 0 HD21 LEU A 83 7.503 10.405 8.210 1.00 60.13 H new ATOM 0 HD22 LEU A 83 7.893 12.085 7.769 1.00 60.13 H new ATOM 0 HD23 LEU A 83 6.615 11.752 8.962 1.00 60.13 H new ATOM 1337 N LYS A 84 2.915 14.556 6.869 1.00 65.34 N ATOM 1338 CA LYS A 84 2.136 15.707 6.389 1.00 23.12 C ATOM 1339 C LYS A 84 1.816 16.697 7.523 1.00 41.24 C ATOM 1340 O LYS A 84 2.004 17.906 7.369 1.00 73.25 O ATOM 1341 CB LYS A 84 0.833 15.238 5.721 1.00 64.25 C ATOM 1342 CG LYS A 84 -0.042 16.381 5.204 1.00 42.34 C ATOM 1343 CD LYS A 84 0.642 17.181 4.089 1.00 42.03 C ATOM 1344 CE LYS A 84 0.655 16.428 2.760 1.00 32.12 C ATOM 1345 NZ LYS A 84 -0.710 16.296 2.179 1.00 0.54 N ATOM 0 H LYS A 84 2.465 13.653 6.719 1.00 65.34 H new ATOM 0 HA LYS A 84 2.750 16.227 5.654 1.00 23.12 H new ATOM 0 HB2 LYS A 84 1.079 14.577 4.890 1.00 64.25 H new ATOM 0 HB3 LYS A 84 0.260 14.650 6.437 1.00 64.25 H new ATOM 0 HG2 LYS A 84 -0.983 15.975 4.832 1.00 42.34 H new ATOM 0 HG3 LYS A 84 -0.287 17.049 6.029 1.00 42.34 H new ATOM 0 HD2 LYS A 84 0.127 18.133 3.960 1.00 42.03 H new ATOM 0 HD3 LYS A 84 1.666 17.410 4.385 1.00 42.03 H new ATOM 0 HE2 LYS A 84 1.300 16.950 2.054 1.00 32.12 H new ATOM 0 HE3 LYS A 84 1.083 15.437 2.909 1.00 32.12 H new ATOM 0 HZ1 LYS A 84 -0.649 16.319 1.141 1.00 0.54 H new ATOM 0 HZ2 LYS A 84 -1.130 15.394 2.482 1.00 0.54 H new ATOM 0 HZ3 LYS A 84 -1.305 17.083 2.508 1.00 0.54 H new ATOM 1359 N ASN A 85 1.337 16.180 8.659 1.00 65.44 N ATOM 1360 CA ASN A 85 1.050 17.021 9.833 1.00 11.04 C ATOM 1361 C ASN A 85 2.307 17.766 10.306 1.00 55.53 C ATOM 1362 O ASN A 85 2.288 18.980 10.505 1.00 50.20 O ATOM 1363 CB ASN A 85 0.494 16.180 10.996 1.00 52.50 C ATOM 1364 CG ASN A 85 -0.973 15.827 10.827 1.00 4.35 C ATOM 1365 OD1 ASN A 85 -1.851 16.580 11.235 1.00 4.24 O ATOM 1366 ND2 ASN A 85 -1.256 14.679 10.255 1.00 40.22 N ATOM 0 H ASN A 85 1.140 15.188 8.794 1.00 65.44 H new ATOM 0 HA ASN A 85 0.299 17.749 9.526 1.00 11.04 H new ATOM 0 HB2 ASN A 85 1.075 15.262 11.083 1.00 52.50 H new ATOM 0 HB3 ASN A 85 0.624 16.729 11.929 1.00 52.50 H new ATOM 0 HD21 ASN A 85 -2.228 14.392 10.140 1.00 40.22 H new ATOM 0 HD22 ASN A 85 -0.504 14.074 9.926 1.00 40.22 H new ATOM 1373 N GLN A 86 3.398 17.026 10.472 1.00 41.30 N ATOM 1374 CA GLN A 86 4.657 17.593 10.967 1.00 61.23 C ATOM 1375 C GLN A 86 5.483 18.249 9.849 1.00 20.11 C ATOM 1376 O GLN A 86 6.592 18.730 10.095 1.00 52.44 O ATOM 1377 CB GLN A 86 5.471 16.496 11.658 1.00 14.02 C ATOM 1378 CG GLN A 86 4.807 15.962 12.921 1.00 44.25 C ATOM 1379 CD GLN A 86 5.525 14.758 13.492 1.00 21.41 C ATOM 1380 OE1 GLN A 86 5.138 13.583 13.050 1.00 55.13 O flip ATOM 1381 NE2 GLN A 86 6.424 14.884 14.314 1.00 23.44 N flip ATOM 0 H GLN A 86 3.440 16.027 10.271 1.00 41.30 H new ATOM 0 HA GLN A 86 4.412 18.380 11.681 1.00 61.23 H new ATOM 0 HB2 GLN A 86 5.625 15.673 10.960 1.00 14.02 H new ATOM 0 HB3 GLN A 86 6.456 16.888 11.911 1.00 14.02 H new ATOM 0 HG2 GLN A 86 4.776 16.751 13.672 1.00 44.25 H new ATOM 0 HG3 GLN A 86 3.775 15.693 12.698 1.00 44.25 H new ATOM 0 HE21 GLN A 86 6.697 15.814 14.633 1.00 23.44 H new ATOM 0 HE22 GLN A 86 6.900 14.059 14.679 1.00 23.44 H new ATOM 1390 N ASN A 87 4.944 18.252 8.626 1.00 43.05 N ATOM 1391 CA ASN A 87 5.583 18.913 7.477 1.00 22.53 C ATOM 1392 C ASN A 87 7.002 18.371 7.208 1.00 2.11 C ATOM 1393 O ASN A 87 7.873 19.090 6.709 1.00 35.42 O ATOM 1394 CB ASN A 87 5.610 20.429 7.699 1.00 54.22 C ATOM 1395 CG ASN A 87 4.209 21.001 7.826 1.00 2.34 C ATOM 1396 OD1 ASN A 87 3.647 21.074 8.916 1.00 54.35 O ATOM 1397 ND2 ASN A 87 3.624 21.402 6.713 1.00 41.43 N ATOM 0 H ASN A 87 4.058 17.800 8.402 1.00 43.05 H new ATOM 0 HA ASN A 87 4.989 18.690 6.590 1.00 22.53 H new ATOM 0 HB2 ASN A 87 6.179 20.655 8.601 1.00 54.22 H new ATOM 0 HB3 ASN A 87 6.126 20.910 6.868 1.00 54.22 H new ATOM 0 HD21 ASN A 87 2.679 21.785 6.743 1.00 41.43 H new ATOM 0 HD22 ASN A 87 4.117 21.329 5.823 1.00 41.43 H new ATOM 1404 N LYS A 88 7.208 17.089 7.512 1.00 35.01 N ATOM 1405 CA LYS A 88 8.502 16.425 7.295 1.00 62.22 C ATOM 1406 C LYS A 88 8.776 16.215 5.796 1.00 4.32 C ATOM 1407 O LYS A 88 8.228 15.304 5.175 1.00 44.43 O ATOM 1408 CB LYS A 88 8.536 15.067 8.015 1.00 11.53 C ATOM 1409 CG LYS A 88 8.423 15.155 9.536 1.00 32.53 C ATOM 1410 CD LYS A 88 8.340 13.765 10.166 1.00 24.42 C ATOM 1411 CE LYS A 88 8.269 13.817 11.686 1.00 63.24 C ATOM 1412 NZ LYS A 88 7.986 12.477 12.272 1.00 63.34 N ATOM 0 H LYS A 88 6.492 16.483 7.912 1.00 35.01 H new ATOM 0 HA LYS A 88 9.277 17.073 7.704 1.00 62.22 H new ATOM 0 HB2 LYS A 88 7.721 14.449 7.638 1.00 11.53 H new ATOM 0 HB3 LYS A 88 9.466 14.558 7.761 1.00 11.53 H new ATOM 0 HG2 LYS A 88 9.285 15.688 9.937 1.00 32.53 H new ATOM 0 HG3 LYS A 88 7.538 15.732 9.805 1.00 32.53 H new ATOM 0 HD2 LYS A 88 7.461 13.247 9.782 1.00 24.42 H new ATOM 0 HD3 LYS A 88 9.210 13.181 9.866 1.00 24.42 H new ATOM 0 HE2 LYS A 88 9.212 14.195 12.081 1.00 63.24 H new ATOM 0 HE3 LYS A 88 7.492 14.518 11.990 1.00 63.24 H new ATOM 0 HZ1 LYS A 88 7.928 12.556 13.307 1.00 63.34 H new ATOM 0 HZ2 LYS A 88 7.082 12.120 11.901 1.00 63.34 H new ATOM 0 HZ3 LYS A 88 8.749 11.818 12.017 1.00 63.34 H new ATOM 1426 N GLN A 89 9.626 17.062 5.221 1.00 60.20 N ATOM 1427 CA GLN A 89 9.969 16.973 3.795 1.00 32.22 C ATOM 1428 C GLN A 89 11.051 15.905 3.535 1.00 73.32 C ATOM 1429 O GLN A 89 12.110 16.193 2.969 1.00 71.34 O ATOM 1430 CB GLN A 89 10.434 18.349 3.283 1.00 15.25 C ATOM 1431 CG GLN A 89 11.607 18.941 4.059 1.00 24.32 C ATOM 1432 CD GLN A 89 12.085 20.260 3.478 1.00 75.21 C ATOM 1433 OE1 GLN A 89 12.950 20.293 2.610 1.00 11.20 O ATOM 1434 NE2 GLN A 89 11.525 21.356 3.946 1.00 62.04 N ATOM 0 H GLN A 89 10.093 17.821 5.717 1.00 60.20 H new ATOM 0 HA GLN A 89 9.075 16.669 3.250 1.00 32.22 H new ATOM 0 HB2 GLN A 89 10.716 18.258 2.234 1.00 15.25 H new ATOM 0 HB3 GLN A 89 9.595 19.044 3.328 1.00 15.25 H new ATOM 0 HG2 GLN A 89 11.312 19.091 5.098 1.00 24.32 H new ATOM 0 HG3 GLN A 89 12.432 18.229 4.062 1.00 24.32 H new ATOM 0 HE21 GLN A 89 10.808 21.294 4.669 1.00 62.04 H new ATOM 0 HE22 GLN A 89 11.808 22.267 3.586 1.00 62.04 H new ATOM 1443 N ILE A 90 10.771 14.665 3.939 1.00 34.44 N ATOM 1444 CA ILE A 90 11.734 13.568 3.782 1.00 35.34 C ATOM 1445 C ILE A 90 11.582 12.861 2.424 1.00 54.23 C ATOM 1446 O ILE A 90 10.606 13.075 1.703 1.00 31.33 O ATOM 1447 CB ILE A 90 11.603 12.516 4.914 1.00 23.22 C ATOM 1448 CG1 ILE A 90 10.268 11.755 4.823 1.00 14.01 C ATOM 1449 CG2 ILE A 90 11.748 13.183 6.281 1.00 73.23 C ATOM 1450 CD1 ILE A 90 10.174 10.591 5.787 1.00 14.42 C ATOM 0 H ILE A 90 9.890 14.393 4.376 1.00 34.44 H new ATOM 0 HA ILE A 90 12.721 14.027 3.836 1.00 35.34 H new ATOM 0 HB ILE A 90 12.407 11.791 4.790 1.00 23.22 H new ATOM 0 HG12 ILE A 90 9.449 12.447 5.019 1.00 14.01 H new ATOM 0 HG13 ILE A 90 10.137 11.386 3.806 1.00 14.01 H new ATOM 0 HG21 ILE A 90 11.654 12.431 7.065 1.00 73.23 H new ATOM 0 HG22 ILE A 90 12.726 13.660 6.351 1.00 73.23 H new ATOM 0 HG23 ILE A 90 10.968 13.935 6.404 1.00 73.23 H new ATOM 0 HD11 ILE A 90 9.208 10.099 5.670 1.00 14.42 H new ATOM 0 HD12 ILE A 90 10.972 9.879 5.577 1.00 14.42 H new ATOM 0 HD13 ILE A 90 10.274 10.956 6.809 1.00 14.42 H new ATOM 1462 N SER A 91 12.553 12.013 2.085 1.00 12.14 N ATOM 1463 CA SER A 91 12.534 11.274 0.811 1.00 13.35 C ATOM 1464 C SER A 91 11.887 9.890 0.953 1.00 32.21 C ATOM 1465 O SER A 91 11.825 9.321 2.046 1.00 44.45 O ATOM 1466 CB SER A 91 13.960 11.104 0.274 1.00 21.00 C ATOM 1467 OG SER A 91 13.982 10.296 -0.894 1.00 25.34 O ATOM 0 H SER A 91 13.365 11.817 2.671 1.00 12.14 H new ATOM 0 HA SER A 91 11.936 11.861 0.114 1.00 13.35 H new ATOM 0 HB2 SER A 91 14.385 12.082 0.049 1.00 21.00 H new ATOM 0 HB3 SER A 91 14.588 10.653 1.042 1.00 21.00 H new ATOM 0 HG SER A 91 14.904 10.208 -1.213 1.00 25.34 H new ATOM 1473 N MET A 92 11.431 9.336 -0.171 1.00 61.13 N ATOM 1474 CA MET A 92 10.859 7.984 -0.194 1.00 1.54 C ATOM 1475 C MET A 92 11.907 6.928 0.212 1.00 75.54 C ATOM 1476 O MET A 92 11.559 5.848 0.694 1.00 30.54 O ATOM 1477 CB MET A 92 10.268 7.672 -1.583 1.00 35.14 C ATOM 1478 CG MET A 92 11.216 7.942 -2.750 1.00 22.24 C ATOM 1479 SD MET A 92 12.654 6.850 -2.767 1.00 51.34 S ATOM 1480 CE MET A 92 11.885 5.260 -3.072 1.00 10.25 C ATOM 0 H MET A 92 11.445 9.801 -1.079 1.00 61.13 H new ATOM 0 HA MET A 92 10.052 7.944 0.538 1.00 1.54 H new ATOM 0 HB2 MET A 92 9.969 6.624 -1.609 1.00 35.14 H new ATOM 0 HB3 MET A 92 9.364 8.265 -1.721 1.00 35.14 H new ATOM 0 HG2 MET A 92 10.670 7.828 -3.687 1.00 22.24 H new ATOM 0 HG3 MET A 92 11.555 8.977 -2.702 1.00 22.24 H new ATOM 0 HE1 MET A 92 12.634 4.558 -3.440 1.00 10.25 H new ATOM 0 HE2 MET A 92 11.455 4.880 -2.145 1.00 10.25 H new ATOM 0 HE3 MET A 92 11.097 5.374 -3.817 1.00 10.25 H new ATOM 1490 N ALA A 93 13.188 7.253 0.025 1.00 52.14 N ATOM 1491 CA ALA A 93 14.283 6.382 0.472 1.00 61.42 C ATOM 1492 C ALA A 93 14.304 6.260 2.004 1.00 32.30 C ATOM 1493 O ALA A 93 14.607 5.199 2.555 1.00 71.32 O ATOM 1494 CB ALA A 93 15.618 6.910 -0.041 1.00 44.13 C ATOM 0 H ALA A 93 13.495 8.112 -0.432 1.00 52.14 H new ATOM 0 HA ALA A 93 14.116 5.387 0.060 1.00 61.42 H new ATOM 0 HB1 ALA A 93 16.422 6.256 0.297 1.00 44.13 H new ATOM 0 HB2 ALA A 93 15.605 6.936 -1.131 1.00 44.13 H new ATOM 0 HB3 ALA A 93 15.783 7.916 0.344 1.00 44.13 H new ATOM 1500 N GLU A 94 13.966 7.352 2.689 1.00 0.34 N ATOM 1501 CA GLU A 94 13.859 7.350 4.152 1.00 33.23 C ATOM 1502 C GLU A 94 12.651 6.518 4.606 1.00 64.05 C ATOM 1503 O GLU A 94 12.670 5.893 5.669 1.00 23.12 O ATOM 1504 CB GLU A 94 13.756 8.790 4.676 1.00 13.10 C ATOM 1505 CG GLU A 94 14.979 9.637 4.339 1.00 62.21 C ATOM 1506 CD GLU A 94 14.883 11.065 4.848 1.00 51.30 C ATOM 1507 OE1 GLU A 94 14.909 11.266 6.078 1.00 14.21 O ATOM 1508 OE2 GLU A 94 14.803 11.996 4.014 1.00 33.33 O ATOM 0 H GLU A 94 13.761 8.252 2.255 1.00 0.34 H new ATOM 0 HA GLU A 94 14.757 6.893 4.567 1.00 33.23 H new ATOM 0 HB2 GLU A 94 12.868 9.261 4.255 1.00 13.10 H new ATOM 0 HB3 GLU A 94 13.623 8.768 5.758 1.00 13.10 H new ATOM 0 HG2 GLU A 94 15.866 9.167 4.764 1.00 62.21 H new ATOM 0 HG3 GLU A 94 15.114 9.653 3.257 1.00 62.21 H new ATOM 1515 N ALA A 95 11.602 6.515 3.786 1.00 63.25 N ATOM 1516 CA ALA A 95 10.451 5.637 4.009 1.00 32.40 C ATOM 1517 C ALA A 95 10.847 4.162 3.824 1.00 40.12 C ATOM 1518 O ALA A 95 10.314 3.277 4.495 1.00 32.13 O ATOM 1519 CB ALA A 95 9.308 6.015 3.074 1.00 15.22 C ATOM 0 H ALA A 95 11.524 7.110 2.961 1.00 63.25 H new ATOM 0 HA ALA A 95 10.111 5.766 5.036 1.00 32.40 H new ATOM 0 HB1 ALA A 95 8.459 5.354 3.251 1.00 15.22 H new ATOM 0 HB2 ALA A 95 9.010 7.046 3.262 1.00 15.22 H new ATOM 0 HB3 ALA A 95 9.636 5.915 2.039 1.00 15.22 H new ATOM 1525 N GLN A 96 11.787 3.910 2.910 1.00 1.43 N ATOM 1526 CA GLN A 96 12.363 2.567 2.725 1.00 54.33 C ATOM 1527 C GLN A 96 13.121 2.111 3.980 1.00 71.02 C ATOM 1528 O GLN A 96 13.056 0.945 4.370 1.00 54.22 O ATOM 1529 CB GLN A 96 13.312 2.553 1.515 1.00 64.52 C ATOM 1530 CG GLN A 96 12.599 2.625 0.170 1.00 62.23 C ATOM 1531 CD GLN A 96 11.793 1.371 -0.119 1.00 15.20 C ATOM 1532 OE1 GLN A 96 12.282 0.424 -0.724 1.00 33.15 O ATOM 1533 NE2 GLN A 96 10.561 1.343 0.329 1.00 12.24 N ATOM 0 H GLN A 96 12.169 4.618 2.283 1.00 1.43 H new ATOM 0 HA GLN A 96 11.540 1.875 2.547 1.00 54.33 H new ATOM 0 HB2 GLN A 96 14.000 3.394 1.596 1.00 64.52 H new ATOM 0 HB3 GLN A 96 13.914 1.645 1.548 1.00 64.52 H new ATOM 0 HG2 GLN A 96 11.937 3.491 0.157 1.00 62.23 H new ATOM 0 HG3 GLN A 96 13.334 2.773 -0.621 1.00 62.23 H new ATOM 0 HE21 GLN A 96 10.182 2.147 0.829 1.00 12.24 H new ATOM 0 HE22 GLN A 96 9.982 0.517 0.177 1.00 12.24 H new ATOM 1542 N GLY A 97 13.844 3.043 4.599 1.00 35.12 N ATOM 1543 CA GLY A 97 14.545 2.751 5.845 1.00 62.50 C ATOM 1544 C GLY A 97 13.608 2.319 6.971 1.00 54.22 C ATOM 1545 O GLY A 97 13.986 1.526 7.834 1.00 3.33 O ATOM 0 H GLY A 97 13.958 3.998 4.261 1.00 35.12 H new ATOM 0 HA2 GLY A 97 15.277 1.963 5.667 1.00 62.50 H new ATOM 0 HA3 GLY A 97 15.098 3.636 6.160 1.00 62.50 H new ATOM 1549 N LYS A 98 12.380 2.838 6.962 1.00 65.13 N ATOM 1550 CA LYS A 98 11.385 2.485 7.983 1.00 61.42 C ATOM 1551 C LYS A 98 10.633 1.197 7.586 1.00 50.12 C ATOM 1552 O LYS A 98 10.489 0.276 8.393 1.00 62.20 O ATOM 1553 CB LYS A 98 10.400 3.654 8.193 1.00 34.33 C ATOM 1554 CG LYS A 98 9.775 3.716 9.596 1.00 60.30 C ATOM 1555 CD LYS A 98 8.821 2.551 9.872 1.00 23.11 C ATOM 1556 CE LYS A 98 8.389 2.493 11.335 1.00 63.00 C ATOM 1557 NZ LYS A 98 9.547 2.275 12.240 1.00 51.02 N ATOM 0 H LYS A 98 12.048 3.502 6.263 1.00 65.13 H new ATOM 0 HA LYS A 98 11.902 2.297 8.924 1.00 61.42 H new ATOM 0 HB2 LYS A 98 10.922 4.591 8.000 1.00 34.33 H new ATOM 0 HB3 LYS A 98 9.601 3.576 7.456 1.00 34.33 H new ATOM 0 HG2 LYS A 98 10.569 3.714 10.343 1.00 60.30 H new ATOM 0 HG3 LYS A 98 9.235 4.656 9.707 1.00 60.30 H new ATOM 0 HD2 LYS A 98 7.939 2.648 9.238 1.00 23.11 H new ATOM 0 HD3 LYS A 98 9.307 1.614 9.601 1.00 23.11 H new ATOM 0 HE2 LYS A 98 7.887 3.422 11.604 1.00 63.00 H new ATOM 0 HE3 LYS A 98 7.665 1.689 11.469 1.00 63.00 H new ATOM 0 HZ1 LYS A 98 9.208 1.924 13.159 1.00 51.02 H new ATOM 0 HZ2 LYS A 98 10.190 1.575 11.818 1.00 51.02 H new ATOM 0 HZ3 LYS A 98 10.054 3.173 12.378 1.00 51.02 H new ATOM 1571 N PHE A 99 10.162 1.138 6.338 1.00 74.32 N ATOM 1572 CA PHE A 99 9.424 -0.031 5.830 1.00 63.14 C ATOM 1573 C PHE A 99 10.190 -0.738 4.692 1.00 11.30 C ATOM 1574 O PHE A 99 9.862 -0.566 3.513 1.00 35.35 O ATOM 1575 CB PHE A 99 8.033 0.382 5.323 1.00 42.31 C ATOM 1576 CG PHE A 99 7.162 1.050 6.359 1.00 43.42 C ATOM 1577 CD1 PHE A 99 6.512 0.299 7.331 1.00 73.13 C ATOM 1578 CD2 PHE A 99 6.984 2.427 6.354 1.00 2.10 C ATOM 1579 CE1 PHE A 99 5.707 0.909 8.274 1.00 40.01 C ATOM 1580 CE2 PHE A 99 6.177 3.039 7.294 1.00 4.34 C ATOM 1581 CZ PHE A 99 5.538 2.280 8.255 1.00 11.23 C ATOM 0 H PHE A 99 10.277 1.887 5.655 1.00 74.32 H new ATOM 0 HA PHE A 99 9.318 -0.727 6.662 1.00 63.14 H new ATOM 0 HB2 PHE A 99 8.155 1.059 4.478 1.00 42.31 H new ATOM 0 HB3 PHE A 99 7.518 -0.504 4.950 1.00 42.31 H new ATOM 0 HD1 PHE A 99 6.637 -0.774 7.350 1.00 73.13 H new ATOM 0 HD2 PHE A 99 7.482 3.027 5.607 1.00 2.10 H new ATOM 0 HE1 PHE A 99 5.210 0.314 9.026 1.00 40.01 H new ATOM 0 HE2 PHE A 99 6.046 4.111 7.277 1.00 4.34 H new ATOM 0 HZ PHE A 99 4.907 2.758 8.990 1.00 11.23 H new ATOM 1591 N PRO A 100 11.212 -1.554 5.020 1.00 43.31 N ATOM 1592 CA PRO A 100 12.012 -2.265 4.002 1.00 12.41 C ATOM 1593 C PRO A 100 11.182 -3.279 3.194 1.00 71.11 C ATOM 1594 O PRO A 100 11.516 -3.612 2.051 1.00 44.44 O ATOM 1595 CB PRO A 100 13.091 -2.980 4.833 1.00 10.21 C ATOM 1596 CG PRO A 100 12.505 -3.096 6.201 1.00 55.52 C ATOM 1597 CD PRO A 100 11.674 -1.858 6.391 1.00 75.03 C ATOM 0 HA PRO A 100 12.415 -1.583 3.253 1.00 12.41 H new ATOM 0 HB2 PRO A 100 13.324 -3.961 4.418 1.00 10.21 H new ATOM 0 HB3 PRO A 100 14.020 -2.411 4.848 1.00 10.21 H new ATOM 0 HG2 PRO A 100 11.895 -3.995 6.291 1.00 55.52 H new ATOM 0 HG3 PRO A 100 13.287 -3.163 6.958 1.00 55.52 H new ATOM 0 HD2 PRO A 100 10.839 -2.033 7.069 1.00 75.03 H new ATOM 0 HD3 PRO A 100 12.259 -1.040 6.811 1.00 75.03 H new ATOM 1605 N GLU A 101 10.097 -3.758 3.798 1.00 11.30 N ATOM 1606 CA GLU A 101 9.210 -4.739 3.161 1.00 23.32 C ATOM 1607 C GLU A 101 8.386 -4.115 2.022 1.00 71.24 C ATOM 1608 O GLU A 101 8.058 -4.785 1.041 1.00 72.12 O ATOM 1609 CB GLU A 101 8.266 -5.334 4.214 1.00 54.41 C ATOM 1610 CG GLU A 101 8.988 -6.028 5.363 1.00 0.14 C ATOM 1611 CD GLU A 101 8.040 -6.450 6.472 1.00 51.12 C ATOM 1612 OE1 GLU A 101 7.493 -7.570 6.405 1.00 13.53 O ATOM 1613 OE2 GLU A 101 7.821 -5.652 7.406 1.00 54.34 O ATOM 0 H GLU A 101 9.806 -3.482 4.736 1.00 11.30 H new ATOM 0 HA GLU A 101 9.833 -5.521 2.728 1.00 23.32 H new ATOM 0 HB2 GLU A 101 7.639 -4.539 4.618 1.00 54.41 H new ATOM 0 HB3 GLU A 101 7.601 -6.049 3.730 1.00 54.41 H new ATOM 0 HG2 GLU A 101 9.511 -6.905 4.983 1.00 0.14 H new ATOM 0 HG3 GLU A 101 9.744 -5.358 5.771 1.00 0.14 H new ATOM 1620 N VAL A 102 8.068 -2.828 2.150 1.00 1.44 N ATOM 1621 CA VAL A 102 7.217 -2.139 1.172 1.00 60.23 C ATOM 1622 C VAL A 102 8.055 -1.508 0.045 1.00 14.34 C ATOM 1623 O VAL A 102 9.188 -1.079 0.266 1.00 51.11 O ATOM 1624 CB VAL A 102 6.361 -1.041 1.860 1.00 25.13 C ATOM 1625 CG1 VAL A 102 5.412 -0.379 0.863 1.00 61.25 C ATOM 1626 CG2 VAL A 102 5.585 -1.622 3.043 1.00 72.45 C ATOM 0 H VAL A 102 8.385 -2.239 2.920 1.00 1.44 H new ATOM 0 HA VAL A 102 6.555 -2.887 0.736 1.00 60.23 H new ATOM 0 HB VAL A 102 7.038 -0.275 2.238 1.00 25.13 H new ATOM 0 HG11 VAL A 102 4.825 0.386 1.372 1.00 61.25 H new ATOM 0 HG12 VAL A 102 5.990 0.081 0.061 1.00 61.25 H new ATOM 0 HG13 VAL A 102 4.743 -1.130 0.443 1.00 61.25 H new ATOM 0 HG21 VAL A 102 4.992 -0.836 3.511 1.00 72.45 H new ATOM 0 HG22 VAL A 102 4.924 -2.414 2.691 1.00 72.45 H new ATOM 0 HG23 VAL A 102 6.285 -2.031 3.772 1.00 72.45 H new ATOM 1636 N VAL A 103 7.498 -1.462 -1.164 1.00 4.24 N ATOM 1637 CA VAL A 103 8.198 -0.893 -2.325 1.00 31.34 C ATOM 1638 C VAL A 103 7.692 0.525 -2.648 1.00 53.21 C ATOM 1639 O VAL A 103 6.611 0.699 -3.203 1.00 0.31 O ATOM 1640 CB VAL A 103 8.021 -1.793 -3.577 1.00 14.21 C ATOM 1641 CG1 VAL A 103 8.760 -1.213 -4.784 1.00 74.31 C ATOM 1642 CG2 VAL A 103 8.490 -3.217 -3.286 1.00 20.01 C ATOM 0 H VAL A 103 6.562 -1.812 -1.370 1.00 4.24 H new ATOM 0 HA VAL A 103 9.255 -0.840 -2.064 1.00 31.34 H new ATOM 0 HB VAL A 103 6.959 -1.824 -3.821 1.00 14.21 H new ATOM 0 HG11 VAL A 103 8.618 -1.865 -5.646 1.00 74.31 H new ATOM 0 HG12 VAL A 103 8.366 -0.222 -5.010 1.00 74.31 H new ATOM 0 HG13 VAL A 103 9.824 -1.138 -4.558 1.00 74.31 H new ATOM 0 HG21 VAL A 103 8.358 -3.833 -4.176 1.00 20.01 H new ATOM 0 HG22 VAL A 103 9.544 -3.203 -3.007 1.00 20.01 H new ATOM 0 HG23 VAL A 103 7.904 -3.633 -2.467 1.00 20.01 H new ATOM 1652 N PHE A 104 8.477 1.540 -2.296 1.00 20.04 N ATOM 1653 CA PHE A 104 8.103 2.936 -2.568 1.00 41.54 C ATOM 1654 C PHE A 104 8.626 3.413 -3.936 1.00 44.31 C ATOM 1655 O PHE A 104 9.785 3.187 -4.287 1.00 15.44 O ATOM 1656 CB PHE A 104 8.624 3.858 -1.456 1.00 50.52 C ATOM 1657 CG PHE A 104 7.849 3.766 -0.160 1.00 42.31 C ATOM 1658 CD1 PHE A 104 7.917 2.630 0.633 1.00 30.20 C ATOM 1659 CD2 PHE A 104 7.058 4.824 0.268 1.00 23.23 C ATOM 1660 CE1 PHE A 104 7.215 2.550 1.821 1.00 15.15 C ATOM 1661 CE2 PHE A 104 6.352 4.747 1.455 1.00 70.22 C ATOM 1662 CZ PHE A 104 6.432 3.610 2.232 1.00 20.23 C ATOM 0 H PHE A 104 9.374 1.429 -1.823 1.00 20.04 H new ATOM 0 HA PHE A 104 7.014 2.982 -2.592 1.00 41.54 H new ATOM 0 HB2 PHE A 104 9.669 3.617 -1.259 1.00 50.52 H new ATOM 0 HB3 PHE A 104 8.596 4.888 -1.811 1.00 50.52 H new ATOM 0 HD1 PHE A 104 8.527 1.796 0.318 1.00 30.20 H new ATOM 0 HD2 PHE A 104 6.993 5.719 -0.334 1.00 23.23 H new ATOM 0 HE1 PHE A 104 7.279 1.659 2.427 1.00 15.15 H new ATOM 0 HE2 PHE A 104 5.738 5.577 1.773 1.00 70.22 H new ATOM 0 HZ PHE A 104 5.883 3.549 3.160 1.00 20.23 H new ATOM 1672 N SER A 105 7.757 4.067 -4.703 1.00 3.35 N ATOM 1673 CA SER A 105 8.124 4.646 -6.006 1.00 51.22 C ATOM 1674 C SER A 105 8.292 6.164 -5.888 1.00 31.41 C ATOM 1675 O SER A 105 7.466 6.838 -5.272 1.00 14.03 O ATOM 1676 CB SER A 105 7.048 4.331 -7.059 1.00 22.23 C ATOM 1677 OG SER A 105 7.374 4.880 -8.331 1.00 24.32 O ATOM 0 H SER A 105 6.781 4.214 -4.446 1.00 3.35 H new ATOM 0 HA SER A 105 9.070 4.203 -6.319 1.00 51.22 H new ATOM 0 HB2 SER A 105 6.933 3.251 -7.148 1.00 22.23 H new ATOM 0 HB3 SER A 105 6.088 4.728 -6.727 1.00 22.23 H new ATOM 0 HG SER A 105 6.668 4.658 -8.974 1.00 24.32 H new ATOM 1683 N GLY A 106 9.350 6.703 -6.487 1.00 74.33 N ATOM 1684 CA GLY A 106 9.604 8.139 -6.406 1.00 15.04 C ATOM 1685 C GLY A 106 9.738 8.807 -7.769 1.00 72.11 C ATOM 1686 O GLY A 106 9.347 8.240 -8.792 1.00 20.20 O ATOM 0 H GLY A 106 10.037 6.176 -7.027 1.00 74.33 H new ATOM 0 HA2 GLY A 106 8.792 8.614 -5.855 1.00 15.04 H new ATOM 0 HA3 GLY A 106 10.517 8.307 -5.836 1.00 15.04 H new ATOM 1690 N SER A 107 10.295 10.016 -7.785 1.00 74.44 N ATOM 1691 CA SER A 107 10.465 10.775 -9.031 1.00 44.42 C ATOM 1692 C SER A 107 11.644 10.248 -9.856 1.00 62.21 C ATOM 1693 O SER A 107 12.808 10.441 -9.498 1.00 31.53 O ATOM 1694 CB SER A 107 10.663 12.270 -8.733 1.00 0.52 C ATOM 1695 OG SER A 107 9.492 12.841 -8.165 1.00 13.33 O ATOM 0 H SER A 107 10.638 10.495 -6.952 1.00 74.44 H new ATOM 0 HA SER A 107 9.555 10.645 -9.617 1.00 44.42 H new ATOM 0 HB2 SER A 107 11.502 12.399 -8.049 1.00 0.52 H new ATOM 0 HB3 SER A 107 10.918 12.796 -9.653 1.00 0.52 H new ATOM 0 HG SER A 107 9.646 13.792 -7.984 1.00 13.33 H new ATOM 1701 N ASN A 108 11.333 9.565 -10.952 1.00 22.31 N ATOM 1702 CA ASN A 108 12.351 9.030 -11.861 1.00 4.33 C ATOM 1703 C ASN A 108 12.089 9.493 -13.302 1.00 21.12 C ATOM 1704 O ASN A 108 11.247 10.362 -13.543 1.00 24.51 O ATOM 1705 CB ASN A 108 12.360 7.496 -11.782 1.00 44.41 C ATOM 1706 CG ASN A 108 11.050 6.872 -12.235 1.00 1.54 C ATOM 1707 OD1 ASN A 108 9.991 7.491 -12.175 1.00 4.11 O ATOM 1708 ND2 ASN A 108 11.104 5.630 -12.670 1.00 5.24 N ATOM 0 H ASN A 108 10.375 9.365 -11.238 1.00 22.31 H new ATOM 0 HA ASN A 108 13.328 9.408 -11.558 1.00 4.33 H new ATOM 0 HB2 ASN A 108 13.172 7.110 -12.398 1.00 44.41 H new ATOM 0 HB3 ASN A 108 12.566 7.191 -10.756 1.00 44.41 H new ATOM 0 HD21 ASN A 108 10.251 5.157 -12.968 1.00 5.24 H new ATOM 0 HD22 ASN A 108 11.999 5.142 -12.708 1.00 5.24 H new ATOM 1715 N LEU A 109 12.820 8.928 -14.255 1.00 63.41 N ATOM 1716 CA LEU A 109 12.579 9.216 -15.673 1.00 32.33 C ATOM 1717 C LEU A 109 11.232 8.632 -16.147 1.00 15.12 C ATOM 1718 O LEU A 109 10.739 7.644 -15.599 1.00 74.30 O ATOM 1719 CB LEU A 109 13.750 8.714 -16.544 1.00 64.42 C ATOM 1720 CG LEU A 109 14.357 7.342 -16.172 1.00 74.41 C ATOM 1721 CD1 LEU A 109 13.344 6.211 -16.326 1.00 24.20 C ATOM 1722 CD2 LEU A 109 15.601 7.066 -17.016 1.00 41.01 C ATOM 0 H LEU A 109 13.581 8.272 -14.079 1.00 63.41 H new ATOM 0 HA LEU A 109 12.519 10.298 -15.787 1.00 32.33 H new ATOM 0 HB2 LEU A 109 13.408 8.665 -17.578 1.00 64.42 H new ATOM 0 HB3 LEU A 109 14.545 9.459 -16.506 1.00 64.42 H new ATOM 0 HG LEU A 109 14.642 7.382 -15.121 1.00 74.41 H new ATOM 0 HD11 LEU A 109 13.811 5.264 -16.055 1.00 24.20 H new ATOM 0 HD12 LEU A 109 12.491 6.395 -15.673 1.00 24.20 H new ATOM 0 HD13 LEU A 109 13.005 6.165 -17.361 1.00 24.20 H new ATOM 0 HD21 LEU A 109 16.018 6.097 -16.743 1.00 41.01 H new ATOM 0 HD22 LEU A 109 15.330 7.061 -18.072 1.00 41.01 H new ATOM 0 HD23 LEU A 109 16.343 7.844 -16.836 1.00 41.01 H new ATOM 1734 N GLU A 110 10.641 9.247 -17.165 1.00 2.32 N ATOM 1735 CA GLU A 110 9.319 8.833 -17.647 1.00 2.32 C ATOM 1736 C GLU A 110 9.401 7.653 -18.629 1.00 23.11 C ATOM 1737 O GLU A 110 10.459 7.352 -19.184 1.00 4.45 O ATOM 1738 CB GLU A 110 8.594 10.020 -18.287 1.00 20.23 C ATOM 1739 CG GLU A 110 8.342 11.168 -17.313 1.00 31.23 C ATOM 1740 CD GLU A 110 7.515 12.286 -17.921 1.00 41.30 C ATOM 1741 OE1 GLU A 110 6.269 12.224 -17.835 1.00 13.22 O ATOM 1742 OE2 GLU A 110 8.104 13.227 -18.493 1.00 4.41 O ATOM 0 H GLU A 110 11.050 10.031 -17.674 1.00 2.32 H new ATOM 0 HA GLU A 110 8.749 8.489 -16.784 1.00 2.32 H new ATOM 0 HB2 GLU A 110 9.184 10.388 -19.127 1.00 20.23 H new ATOM 0 HB3 GLU A 110 7.641 9.680 -18.692 1.00 20.23 H new ATOM 0 HG2 GLU A 110 7.831 10.784 -16.430 1.00 31.23 H new ATOM 0 HG3 GLU A 110 9.298 11.571 -16.978 1.00 31.23 H new ATOM 1749 N HIS A 111 8.262 6.998 -18.851 1.00 35.12 N ATOM 1750 CA HIS A 111 8.217 5.748 -19.623 1.00 54.13 C ATOM 1751 C HIS A 111 7.035 5.713 -20.612 1.00 10.12 C ATOM 1752 O HIS A 111 6.102 6.510 -20.516 1.00 45.05 O ATOM 1753 CB HIS A 111 8.166 4.545 -18.662 1.00 11.11 C ATOM 1754 CG HIS A 111 7.275 4.755 -17.471 1.00 21.35 C ATOM 1755 ND1 HIS A 111 6.010 4.218 -17.358 1.00 23.31 N ATOM 1756 CD2 HIS A 111 7.484 5.454 -16.329 1.00 54.13 C ATOM 1757 CE1 HIS A 111 5.480 4.579 -16.205 1.00 31.23 C ATOM 1758 NE2 HIS A 111 6.353 5.327 -15.561 1.00 32.51 N ATOM 0 H HIS A 111 7.354 7.310 -18.508 1.00 35.12 H new ATOM 0 HA HIS A 111 9.126 5.693 -20.222 1.00 54.13 H new ATOM 0 HB2 HIS A 111 7.822 3.668 -19.211 1.00 11.11 H new ATOM 0 HB3 HIS A 111 9.176 4.327 -18.314 1.00 11.11 H new ATOM 0 HD2 HIS A 111 8.375 6.008 -16.071 1.00 54.13 H new ATOM 0 HE1 HIS A 111 4.497 4.307 -15.849 1.00 31.23 H new ATOM 0 HE2 HIS A 111 6.211 5.744 -14.641 1.00 32.51 H new ATOM 1767 N HIS A 112 7.083 4.755 -21.542 1.00 64.12 N ATOM 1768 CA HIS A 112 6.130 4.683 -22.661 1.00 15.24 C ATOM 1769 C HIS A 112 4.711 4.304 -22.206 1.00 21.13 C ATOM 1770 O HIS A 112 4.531 3.503 -21.284 1.00 64.21 O ATOM 1771 CB HIS A 112 6.630 3.672 -23.695 1.00 73.13 C ATOM 1772 CG HIS A 112 8.016 3.965 -24.187 1.00 60.52 C ATOM 1773 ND1 HIS A 112 9.128 3.269 -23.765 1.00 14.42 N ATOM 1774 CD2 HIS A 112 8.471 4.895 -25.059 1.00 11.24 C ATOM 1775 CE1 HIS A 112 10.200 3.757 -24.353 1.00 71.41 C ATOM 1776 NE2 HIS A 112 9.832 4.740 -25.143 1.00 63.43 N ATOM 0 H HIS A 112 7.779 4.009 -21.544 1.00 64.12 H new ATOM 0 HA HIS A 112 6.070 5.678 -23.102 1.00 15.24 H new ATOM 0 HB2 HIS A 112 6.611 2.674 -23.257 1.00 73.13 H new ATOM 0 HB3 HIS A 112 5.945 3.661 -24.543 1.00 73.13 H new ATOM 0 HD2 HIS A 112 7.875 5.623 -25.589 1.00 11.24 H new ATOM 0 HE1 HIS A 112 11.212 3.408 -24.210 1.00 71.41 H new ATOM 0 HE2 HIS A 112 10.457 5.298 -25.725 1.00 63.43 H new ATOM 1785 N HIS A 113 3.709 4.868 -22.879 1.00 62.22 N ATOM 1786 CA HIS A 113 2.300 4.631 -22.540 1.00 2.23 C ATOM 1787 C HIS A 113 1.584 3.791 -23.615 1.00 44.20 C ATOM 1788 O HIS A 113 1.416 4.232 -24.754 1.00 75.31 O ATOM 1789 CB HIS A 113 1.573 5.972 -22.371 1.00 42.45 C ATOM 1790 CG HIS A 113 2.146 6.838 -21.291 1.00 63.24 C ATOM 1791 ND1 HIS A 113 3.124 7.784 -21.515 1.00 73.05 N ATOM 1792 CD2 HIS A 113 1.867 6.901 -19.967 1.00 25.13 C ATOM 1793 CE1 HIS A 113 3.417 8.386 -20.381 1.00 35.14 C ATOM 1794 NE2 HIS A 113 2.671 7.873 -19.427 1.00 60.31 N ATOM 0 H HIS A 113 3.846 5.498 -23.669 1.00 62.22 H new ATOM 0 HA HIS A 113 2.276 4.071 -21.605 1.00 2.23 H new ATOM 0 HB2 HIS A 113 1.607 6.515 -23.316 1.00 42.45 H new ATOM 0 HB3 HIS A 113 0.523 5.780 -22.151 1.00 42.45 H new ATOM 0 HD2 HIS A 113 1.146 6.298 -19.435 1.00 25.13 H new ATOM 0 HE1 HIS A 113 4.148 9.171 -20.255 1.00 35.14 H new ATOM 0 HE2 HIS A 113 2.687 8.152 -18.446 1.00 60.31 H new ATOM 1803 N HIS A 114 1.166 2.582 -23.242 1.00 3.42 N ATOM 1804 CA HIS A 114 0.365 1.718 -24.125 1.00 22.53 C ATOM 1805 C HIS A 114 -0.623 0.855 -23.321 1.00 24.43 C ATOM 1806 O HIS A 114 -0.244 0.180 -22.361 1.00 31.22 O ATOM 1807 CB HIS A 114 1.265 0.845 -25.018 1.00 5.22 C ATOM 1808 CG HIS A 114 2.485 0.292 -24.343 1.00 74.02 C ATOM 1809 ND1 HIS A 114 3.757 0.740 -24.622 1.00 25.31 N ATOM 1810 CD2 HIS A 114 2.631 -0.686 -23.419 1.00 52.24 C ATOM 1811 CE1 HIS A 114 4.628 0.065 -23.904 1.00 63.32 C ATOM 1812 NE2 HIS A 114 3.976 -0.808 -23.165 1.00 60.40 N ATOM 0 H HIS A 114 1.367 2.172 -22.330 1.00 3.42 H new ATOM 0 HA HIS A 114 -0.219 2.368 -24.776 1.00 22.53 H new ATOM 0 HB2 HIS A 114 0.673 0.014 -25.402 1.00 5.22 H new ATOM 0 HB3 HIS A 114 1.581 1.436 -25.878 1.00 5.22 H new ATOM 0 HD2 HIS A 114 1.838 -1.263 -22.966 1.00 52.24 H new ATOM 0 HE1 HIS A 114 5.699 0.204 -23.918 1.00 63.32 H new ATOM 0 HE2 HIS A 114 4.400 -1.467 -22.511 1.00 60.40 H new ATOM 1821 N HIS A 115 -1.891 0.896 -23.722 1.00 11.11 N ATOM 1822 CA HIS A 115 -2.974 0.205 -23.010 1.00 74.41 C ATOM 1823 C HIS A 115 -3.160 -1.243 -23.505 1.00 45.30 C ATOM 1824 O HIS A 115 -2.852 -1.567 -24.650 1.00 73.22 O ATOM 1825 CB HIS A 115 -4.275 1.003 -23.191 1.00 72.03 C ATOM 1826 CG HIS A 115 -5.495 0.354 -22.609 1.00 74.32 C ATOM 1827 ND1 HIS A 115 -6.471 -0.234 -23.383 1.00 43.43 N ATOM 1828 CD2 HIS A 115 -5.905 0.217 -21.325 1.00 52.34 C ATOM 1829 CE1 HIS A 115 -7.426 -0.702 -22.607 1.00 30.33 C ATOM 1830 NE2 HIS A 115 -7.107 -0.446 -21.354 1.00 31.23 N ATOM 0 H HIS A 115 -2.201 1.407 -24.548 1.00 11.11 H new ATOM 0 HA HIS A 115 -2.711 0.147 -21.954 1.00 74.41 H new ATOM 0 HB2 HIS A 115 -4.150 1.985 -22.734 1.00 72.03 H new ATOM 0 HB3 HIS A 115 -4.440 1.166 -24.256 1.00 72.03 H new ATOM 0 HD2 HIS A 115 -5.384 0.564 -20.445 1.00 52.34 H new ATOM 0 HE1 HIS A 115 -8.319 -1.209 -22.940 1.00 30.33 H new ATOM 0 HE2 HIS A 115 -7.663 -0.700 -20.538 1.00 31.23 H new ATOM 1839 N HIS A 116 -3.659 -2.111 -22.623 1.00 75.01 N ATOM 1840 CA HIS A 116 -3.975 -3.503 -22.990 1.00 53.32 C ATOM 1841 C HIS A 116 -5.474 -3.669 -23.316 1.00 35.42 C ATOM 1842 O HIS A 116 -5.836 -3.609 -24.510 1.00 37.16 O ATOM 1843 CB HIS A 116 -3.569 -4.460 -21.857 1.00 14.23 C ATOM 1844 CG HIS A 116 -2.087 -4.527 -21.627 1.00 72.50 C ATOM 1845 ND1 HIS A 116 -1.331 -5.637 -21.927 1.00 21.11 N ATOM 1846 CD2 HIS A 116 -1.222 -3.617 -21.119 1.00 63.51 C ATOM 1847 CE1 HIS A 116 -0.073 -5.409 -21.620 1.00 14.42 C ATOM 1848 NE2 HIS A 116 0.024 -4.191 -21.126 1.00 72.04 N ATOM 1849 OXT HIS A 116 -6.285 -3.833 -22.375 1.00 37.16 O ATOM 0 H HIS A 116 -3.855 -1.880 -21.649 1.00 75.01 H new ATOM 0 HA HIS A 116 -3.405 -3.751 -23.885 1.00 53.32 H new ATOM 0 HB2 HIS A 116 -4.057 -4.145 -20.935 1.00 14.23 H new ATOM 0 HB3 HIS A 116 -3.938 -5.459 -22.088 1.00 14.23 H new ATOM 0 HD2 HIS A 116 -1.468 -2.624 -20.773 1.00 63.51 H new ATOM 0 HE1 HIS A 116 0.744 -6.103 -21.751 1.00 14.42 H new ATOM 0 HE2 HIS A 116 0.884 -3.748 -20.802 1.00 72.04 H new TER 1858 HIS A 116