USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 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 : amide:sc= -2.34! C(o=-1.3!,f=-0.96!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 173:sc= 1.08 (180deg=1.04) USER MOD Set 2.1: A 39 TYR OH : rot 171:sc= -1.28! USER MOD Set 2.2: A 105 SER OG : rot 137:sc= 0.706 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.23 (180deg=-0.869) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0405 (180deg=-0.00681) USER MOD Single : A 4 SER OG : rot -20:sc= 0.326 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0.0129 K(o=0.013,f=-3.1!) USER MOD Single : A 8 THR OG1 : rot -150:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.227 USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -0.0614 (180deg=-1.35!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= -0.0345 X(o=-0.034,f=-0.034) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.669 USER MOD Single : A 38 SER OG : rot 180:sc= -0.16 USER MOD Single : A 49 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.35) USER MOD Single : A 50 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= 1.28 (180deg=0.305) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0709) USER MOD Single : A 59 HIS : no HD1:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.7!) USER MOD Single : A 74 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 78 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.79) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.1) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 87 ASN : amide:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -139:sc= -0.153 (180deg=-0.656) USER MOD Single : A 96 GLN : amide:sc= -1 X(o=-1,f=-0.55) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc=-0.00515 (180deg=-0.0681) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 108 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.075) USER MOD Single : A 111 HIS : no HE2:sc= 0.13 K(o=0.13,f=-1) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.887 -30.484 -4.023 1.00 35.22 N ATOM 2 CA MET A 1 11.503 -29.132 -3.531 1.00 61.23 C ATOM 3 C MET A 1 10.402 -29.215 -2.455 1.00 74.42 C ATOM 4 O MET A 1 10.284 -30.224 -1.759 1.00 25.00 O ATOM 5 CB MET A 1 11.056 -28.246 -4.708 1.00 23.41 C ATOM 6 CG MET A 1 12.191 -27.850 -5.648 1.00 1.21 C ATOM 7 SD MET A 1 11.668 -26.700 -6.936 1.00 11.12 S ATOM 8 CE MET A 1 11.099 -25.308 -5.956 1.00 10.50 C ATOM 0 H1 MET A 1 12.923 -30.571 -4.026 1.00 35.22 H new ATOM 0 H2 MET A 1 11.480 -31.209 -3.398 1.00 35.22 H new ATOM 0 H3 MET A 1 11.526 -30.617 -4.989 1.00 35.22 H new ATOM 0 HA MET A 1 12.378 -28.679 -3.066 1.00 61.23 H new ATOM 0 HB2 MET A 1 10.292 -28.774 -5.278 1.00 23.41 H new ATOM 0 HB3 MET A 1 10.591 -27.342 -4.314 1.00 23.41 H new ATOM 0 HG2 MET A 1 12.995 -27.397 -5.068 1.00 1.21 H new ATOM 0 HG3 MET A 1 12.600 -28.747 -6.113 1.00 1.21 H new ATOM 0 HE1 MET A 1 11.377 -24.377 -6.450 1.00 10.50 H new ATOM 0 HE2 MET A 1 10.015 -25.354 -5.853 1.00 10.50 H new ATOM 0 HE3 MET A 1 11.559 -25.346 -4.968 1.00 10.50 H new ATOM 20 N ALA A 2 9.610 -28.151 -2.310 1.00 42.11 N ATOM 21 CA ALA A 2 8.600 -28.075 -1.244 1.00 4.13 C ATOM 22 C ALA A 2 7.337 -28.891 -1.569 1.00 2.34 C ATOM 23 O ALA A 2 7.098 -29.947 -0.976 1.00 23.42 O ATOM 24 CB ALA A 2 8.236 -26.617 -0.974 1.00 11.32 C ATOM 0 H ALA A 2 9.646 -27.330 -2.914 1.00 42.11 H new ATOM 0 HA ALA A 2 9.039 -28.515 -0.349 1.00 4.13 H new ATOM 0 HB1 ALA A 2 7.487 -26.569 -0.183 1.00 11.32 H new ATOM 0 HB2 ALA A 2 9.127 -26.071 -0.664 1.00 11.32 H new ATOM 0 HB3 ALA A 2 7.833 -26.168 -1.882 1.00 11.32 H new ATOM 30 N ALA A 3 6.533 -28.398 -2.510 1.00 62.15 N ATOM 31 CA ALA A 3 5.265 -29.045 -2.878 1.00 72.51 C ATOM 32 C ALA A 3 4.659 -28.417 -4.142 1.00 22.35 C ATOM 33 O ALA A 3 5.022 -27.306 -4.531 1.00 63.01 O ATOM 34 CB ALA A 3 4.268 -28.962 -1.721 1.00 52.11 C ATOM 0 H ALA A 3 6.735 -27.548 -3.037 1.00 62.15 H new ATOM 0 HA ALA A 3 5.478 -30.092 -3.091 1.00 72.51 H new ATOM 0 HB1 ALA A 3 3.335 -29.445 -2.010 1.00 52.11 H new ATOM 0 HB2 ALA A 3 4.682 -29.465 -0.847 1.00 52.11 H new ATOM 0 HB3 ALA A 3 4.076 -27.916 -1.481 1.00 52.11 H new ATOM 40 N SER A 4 3.726 -29.130 -4.770 1.00 63.51 N ATOM 41 CA SER A 4 3.045 -28.630 -5.976 1.00 32.14 C ATOM 42 C SER A 4 1.959 -27.604 -5.625 1.00 32.52 C ATOM 43 O SER A 4 1.430 -26.921 -6.503 1.00 23.44 O ATOM 44 CB SER A 4 2.423 -29.795 -6.760 1.00 13.13 C ATOM 45 OG SER A 4 1.810 -29.351 -7.966 1.00 22.43 O ATOM 0 H SER A 4 3.420 -30.055 -4.469 1.00 63.51 H new ATOM 0 HA SER A 4 3.794 -28.135 -6.595 1.00 32.14 H new ATOM 0 HB2 SER A 4 3.194 -30.530 -6.993 1.00 13.13 H new ATOM 0 HB3 SER A 4 1.682 -30.297 -6.138 1.00 13.13 H new ATOM 0 HG SER A 4 1.630 -28.390 -7.907 1.00 22.43 H new ATOM 51 N THR A 5 1.623 -27.511 -4.339 1.00 61.13 N ATOM 52 CA THR A 5 0.638 -26.534 -3.857 1.00 12.31 C ATOM 53 C THR A 5 1.112 -25.095 -4.116 1.00 20.02 C ATOM 54 O THR A 5 2.091 -24.634 -3.520 1.00 32.14 O ATOM 55 CB THR A 5 0.372 -26.708 -2.340 1.00 3.21 C ATOM 56 OG1 THR A 5 -0.004 -28.067 -2.053 1.00 0.20 O ATOM 57 CG2 THR A 5 -0.727 -25.763 -1.857 1.00 65.35 C ATOM 0 H THR A 5 2.018 -28.101 -3.607 1.00 61.13 H new ATOM 0 HA THR A 5 -0.285 -26.715 -4.408 1.00 12.31 H new ATOM 0 HB THR A 5 1.294 -26.465 -1.812 1.00 3.21 H new ATOM 0 HG1 THR A 5 -0.168 -28.165 -1.092 1.00 0.20 H new ATOM 0 HG21 THR A 5 -0.890 -25.910 -0.789 1.00 65.35 H new ATOM 0 HG22 THR A 5 -0.426 -24.731 -2.040 1.00 65.35 H new ATOM 0 HG23 THR A 5 -1.650 -25.973 -2.397 1.00 65.35 H new ATOM 65 N VAL A 6 0.420 -24.387 -5.006 1.00 73.11 N ATOM 66 CA VAL A 6 0.819 -23.026 -5.387 1.00 1.33 C ATOM 67 C VAL A 6 0.225 -21.964 -4.442 1.00 31.12 C ATOM 68 O VAL A 6 -0.948 -22.020 -4.069 1.00 64.23 O ATOM 69 CB VAL A 6 0.422 -22.703 -6.856 1.00 61.35 C ATOM 70 CG1 VAL A 6 -1.093 -22.750 -7.049 1.00 4.53 C ATOM 71 CG2 VAL A 6 0.990 -21.348 -7.289 1.00 44.53 C ATOM 0 H VAL A 6 -0.418 -24.728 -5.478 1.00 73.11 H new ATOM 0 HA VAL A 6 1.905 -22.991 -5.302 1.00 1.33 H new ATOM 0 HB VAL A 6 0.857 -23.473 -7.494 1.00 61.35 H new ATOM 0 HG11 VAL A 6 -1.335 -22.519 -8.087 1.00 4.53 H new ATOM 0 HG12 VAL A 6 -1.460 -23.746 -6.803 1.00 4.53 H new ATOM 0 HG13 VAL A 6 -1.566 -22.018 -6.395 1.00 4.53 H new ATOM 0 HG21 VAL A 6 0.699 -21.144 -8.320 1.00 44.53 H new ATOM 0 HG22 VAL A 6 0.598 -20.565 -6.640 1.00 44.53 H new ATOM 0 HG23 VAL A 6 2.077 -21.369 -7.216 1.00 44.53 H new ATOM 81 N HIS A 7 1.058 -21.004 -4.049 1.00 43.14 N ATOM 82 CA HIS A 7 0.628 -19.888 -3.206 1.00 33.23 C ATOM 83 C HIS A 7 1.172 -18.560 -3.747 1.00 22.53 C ATOM 84 O HIS A 7 2.380 -18.324 -3.740 1.00 53.43 O ATOM 85 CB HIS A 7 1.088 -20.098 -1.756 1.00 71.13 C ATOM 86 CG HIS A 7 0.896 -18.889 -0.889 1.00 53.21 C ATOM 87 ND1 HIS A 7 1.940 -18.088 -0.482 1.00 5.41 N ATOM 88 CD2 HIS A 7 -0.224 -18.330 -0.366 1.00 61.12 C ATOM 89 CE1 HIS A 7 1.477 -17.097 0.246 1.00 72.32 C ATOM 90 NE2 HIS A 7 0.171 -17.219 0.332 1.00 12.13 N ATOM 0 H HIS A 7 2.045 -20.976 -4.303 1.00 43.14 H new ATOM 0 HA HIS A 7 -0.461 -19.849 -3.224 1.00 33.23 H new ATOM 0 HB2 HIS A 7 0.538 -20.935 -1.326 1.00 71.13 H new ATOM 0 HB3 HIS A 7 2.142 -20.374 -1.754 1.00 71.13 H new ATOM 0 HD2 HIS A 7 -1.235 -18.692 -0.478 1.00 61.12 H new ATOM 0 HE1 HIS A 7 2.069 -16.315 0.697 1.00 72.32 H new ATOM 0 HE2 HIS A 7 -0.450 -16.587 0.838 1.00 12.13 H new ATOM 99 N THR A 8 0.275 -17.698 -4.211 1.00 23.51 N ATOM 100 CA THR A 8 0.662 -16.389 -4.743 1.00 72.21 C ATOM 101 C THR A 8 1.024 -15.415 -3.612 1.00 22.02 C ATOM 102 O THR A 8 0.234 -15.197 -2.693 1.00 53.42 O ATOM 103 CB THR A 8 -0.471 -15.766 -5.599 1.00 5.10 C ATOM 104 OG1 THR A 8 -0.870 -16.677 -6.635 1.00 43.51 O ATOM 105 CG2 THR A 8 -0.027 -14.447 -6.229 1.00 23.14 C ATOM 0 H THR A 8 -0.729 -17.879 -4.231 1.00 23.51 H new ATOM 0 HA THR A 8 1.536 -16.553 -5.373 1.00 72.21 H new ATOM 0 HB THR A 8 -1.315 -15.570 -4.938 1.00 5.10 H new ATOM 0 HG1 THR A 8 -1.188 -16.171 -7.411 1.00 43.51 H new ATOM 0 HG21 THR A 8 -0.843 -14.035 -6.823 1.00 23.14 H new ATOM 0 HG22 THR A 8 0.243 -13.741 -5.443 1.00 23.14 H new ATOM 0 HG23 THR A 8 0.836 -14.623 -6.871 1.00 23.14 H new ATOM 113 N SER A 9 2.228 -14.848 -3.676 1.00 4.03 N ATOM 114 CA SER A 9 2.659 -13.822 -2.710 1.00 34.43 C ATOM 115 C SER A 9 2.297 -12.424 -3.235 1.00 62.53 C ATOM 116 O SER A 9 1.909 -12.281 -4.394 1.00 20.03 O ATOM 117 CB SER A 9 4.170 -13.926 -2.451 1.00 35.33 C ATOM 118 OG SER A 9 4.611 -12.953 -1.515 1.00 61.53 O ATOM 0 H SER A 9 2.926 -15.077 -4.383 1.00 4.03 H new ATOM 0 HA SER A 9 2.140 -13.988 -1.766 1.00 34.43 H new ATOM 0 HB2 SER A 9 4.408 -14.923 -2.079 1.00 35.33 H new ATOM 0 HB3 SER A 9 4.710 -13.799 -3.389 1.00 35.33 H new ATOM 0 HG SER A 9 5.576 -13.049 -1.373 1.00 61.53 H new ATOM 124 N PHE A 10 2.418 -11.393 -2.399 1.00 23.21 N ATOM 125 CA PHE A 10 1.969 -10.042 -2.783 1.00 71.31 C ATOM 126 C PHE A 10 2.939 -8.941 -2.314 1.00 62.35 C ATOM 127 O PHE A 10 3.346 -8.907 -1.152 1.00 73.44 O ATOM 128 CB PHE A 10 0.561 -9.780 -2.225 1.00 33.20 C ATOM 129 CG PHE A 10 -0.475 -10.761 -2.723 1.00 34.31 C ATOM 130 CD1 PHE A 10 -1.061 -10.600 -3.971 1.00 1.13 C ATOM 131 CD2 PHE A 10 -0.853 -11.850 -1.947 1.00 33.32 C ATOM 132 CE1 PHE A 10 -1.999 -11.504 -4.434 1.00 11.34 C ATOM 133 CE2 PHE A 10 -1.792 -12.754 -2.405 1.00 24.21 C ATOM 134 CZ PHE A 10 -2.364 -12.581 -3.650 1.00 11.34 C ATOM 0 H PHE A 10 2.817 -11.458 -1.462 1.00 23.21 H new ATOM 0 HA PHE A 10 1.948 -10.006 -3.872 1.00 71.31 H new ATOM 0 HB2 PHE A 10 0.596 -9.822 -1.136 1.00 33.20 H new ATOM 0 HB3 PHE A 10 0.253 -8.770 -2.495 1.00 33.20 H new ATOM 0 HD1 PHE A 10 -0.781 -9.759 -4.588 1.00 1.13 H new ATOM 0 HD2 PHE A 10 -0.407 -11.991 -0.974 1.00 33.32 H new ATOM 0 HE1 PHE A 10 -2.446 -11.368 -5.408 1.00 11.34 H new ATOM 0 HE2 PHE A 10 -2.078 -13.595 -1.790 1.00 24.21 H new ATOM 0 HZ PHE A 10 -3.097 -13.288 -4.011 1.00 11.34 H new ATOM 144 N ILE A 11 3.290 -8.037 -3.234 1.00 62.41 N ATOM 145 CA ILE A 11 4.185 -6.905 -2.936 1.00 23.24 C ATOM 146 C ILE A 11 3.411 -5.578 -2.923 1.00 31.41 C ATOM 147 O ILE A 11 2.495 -5.384 -3.719 1.00 54.31 O ATOM 148 CB ILE A 11 5.324 -6.795 -3.987 1.00 72.42 C ATOM 149 CG1 ILE A 11 6.070 -8.133 -4.116 1.00 73.30 C ATOM 150 CG2 ILE A 11 6.292 -5.666 -3.626 1.00 72.40 C ATOM 151 CD1 ILE A 11 7.214 -8.108 -5.113 1.00 74.44 C ATOM 0 H ILE A 11 2.967 -8.065 -4.201 1.00 62.41 H new ATOM 0 HA ILE A 11 4.613 -7.093 -1.951 1.00 23.24 H new ATOM 0 HB ILE A 11 4.876 -6.558 -4.952 1.00 72.42 H new ATOM 0 HG12 ILE A 11 6.460 -8.416 -3.138 1.00 73.30 H new ATOM 0 HG13 ILE A 11 5.361 -8.906 -4.412 1.00 73.30 H new ATOM 0 HG21 ILE A 11 7.080 -5.609 -4.376 1.00 72.40 H new ATOM 0 HG22 ILE A 11 5.752 -4.720 -3.594 1.00 72.40 H new ATOM 0 HG23 ILE A 11 6.734 -5.864 -2.650 1.00 72.40 H new ATOM 0 HD11 ILE A 11 7.689 -9.088 -5.146 1.00 74.44 H new ATOM 0 HD12 ILE A 11 6.830 -7.858 -6.102 1.00 74.44 H new ATOM 0 HD13 ILE A 11 7.946 -7.360 -4.808 1.00 74.44 H new ATOM 163 N LEU A 12 3.785 -4.666 -2.028 1.00 54.23 N ATOM 164 CA LEU A 12 3.138 -3.349 -1.954 1.00 23.23 C ATOM 165 C LEU A 12 4.010 -2.247 -2.583 1.00 13.45 C ATOM 166 O LEU A 12 5.197 -2.117 -2.276 1.00 11.32 O ATOM 167 CB LEU A 12 2.832 -2.985 -0.495 1.00 54.03 C ATOM 168 CG LEU A 12 2.121 -1.633 -0.284 1.00 2.41 C ATOM 169 CD1 LEU A 12 0.722 -1.652 -0.890 1.00 11.31 C ATOM 170 CD2 LEU A 12 2.062 -1.275 1.199 1.00 64.24 C ATOM 0 H LEU A 12 4.529 -4.809 -1.345 1.00 54.23 H new ATOM 0 HA LEU A 12 2.209 -3.414 -2.520 1.00 23.23 H new ATOM 0 HB2 LEU A 12 2.213 -3.772 -0.064 1.00 54.03 H new ATOM 0 HB3 LEU A 12 3.768 -2.974 0.063 1.00 54.03 H new ATOM 0 HG LEU A 12 2.701 -0.866 -0.796 1.00 2.41 H new ATOM 0 HD11 LEU A 12 0.242 -0.687 -0.728 1.00 11.31 H new ATOM 0 HD12 LEU A 12 0.792 -1.847 -1.960 1.00 11.31 H new ATOM 0 HD13 LEU A 12 0.131 -2.436 -0.416 1.00 11.31 H new ATOM 0 HD21 LEU A 12 1.556 -0.317 1.322 1.00 64.24 H new ATOM 0 HD22 LEU A 12 1.513 -2.047 1.738 1.00 64.24 H new ATOM 0 HD23 LEU A 12 3.074 -1.204 1.597 1.00 64.24 H new ATOM 182 N LYS A 13 3.412 -1.459 -3.466 1.00 74.10 N ATOM 183 CA LYS A 13 4.064 -0.275 -4.028 1.00 10.33 C ATOM 184 C LYS A 13 3.320 0.996 -3.605 1.00 54.03 C ATOM 185 O LYS A 13 2.087 1.034 -3.594 1.00 45.13 O ATOM 186 CB LYS A 13 4.127 -0.343 -5.560 1.00 55.23 C ATOM 187 CG LYS A 13 4.913 -1.533 -6.105 1.00 31.22 C ATOM 188 CD LYS A 13 5.183 -1.394 -7.603 1.00 14.43 C ATOM 189 CE LYS A 13 3.906 -1.147 -8.399 1.00 2.10 C ATOM 190 NZ LYS A 13 2.921 -2.244 -8.231 1.00 71.24 N ATOM 0 H LYS A 13 2.466 -1.618 -3.814 1.00 74.10 H new ATOM 0 HA LYS A 13 5.083 -0.248 -3.641 1.00 10.33 H new ATOM 0 HB2 LYS A 13 3.111 -0.384 -5.952 1.00 55.23 H new ATOM 0 HB3 LYS A 13 4.577 0.577 -5.935 1.00 55.23 H new ATOM 0 HG2 LYS A 13 5.859 -1.619 -5.571 1.00 31.22 H new ATOM 0 HG3 LYS A 13 4.357 -2.452 -5.919 1.00 31.22 H new ATOM 0 HD2 LYS A 13 5.878 -0.571 -7.770 1.00 14.43 H new ATOM 0 HD3 LYS A 13 5.667 -2.299 -7.969 1.00 14.43 H new ATOM 0 HE2 LYS A 13 3.457 -0.206 -8.081 1.00 2.10 H new ATOM 0 HE3 LYS A 13 4.153 -1.041 -9.455 1.00 2.10 H new ATOM 0 HZ1 LYS A 13 2.844 -2.780 -9.119 1.00 71.24 H new ATOM 0 HZ2 LYS A 13 3.235 -2.879 -7.469 1.00 71.24 H new ATOM 0 HZ3 LYS A 13 1.993 -1.843 -7.987 1.00 71.24 H new ATOM 204 N VAL A 14 4.071 2.032 -3.262 1.00 52.50 N ATOM 205 CA VAL A 14 3.494 3.298 -2.816 1.00 34.54 C ATOM 206 C VAL A 14 3.953 4.464 -3.706 1.00 24.24 C ATOM 207 O VAL A 14 5.145 4.764 -3.798 1.00 51.05 O ATOM 208 CB VAL A 14 3.870 3.590 -1.340 1.00 71.41 C ATOM 209 CG1 VAL A 14 3.392 4.976 -0.915 1.00 22.43 C ATOM 210 CG2 VAL A 14 3.295 2.513 -0.419 1.00 35.14 C ATOM 0 H VAL A 14 5.091 2.023 -3.283 1.00 52.50 H new ATOM 0 HA VAL A 14 2.411 3.205 -2.894 1.00 34.54 H new ATOM 0 HB VAL A 14 4.957 3.572 -1.257 1.00 71.41 H new ATOM 0 HG11 VAL A 14 3.669 5.154 0.124 1.00 22.43 H new ATOM 0 HG12 VAL A 14 3.857 5.731 -1.549 1.00 22.43 H new ATOM 0 HG13 VAL A 14 2.308 5.034 -1.016 1.00 22.43 H new ATOM 0 HG21 VAL A 14 3.568 2.733 0.613 1.00 35.14 H new ATOM 0 HG22 VAL A 14 2.209 2.497 -0.511 1.00 35.14 H new ATOM 0 HG23 VAL A 14 3.697 1.540 -0.701 1.00 35.14 H new ATOM 220 N LEU A 15 3.003 5.109 -4.372 1.00 62.34 N ATOM 221 CA LEU A 15 3.301 6.272 -5.210 1.00 34.14 C ATOM 222 C LEU A 15 3.314 7.544 -4.345 1.00 31.05 C ATOM 223 O LEU A 15 2.259 8.074 -3.985 1.00 42.01 O ATOM 224 CB LEU A 15 2.261 6.390 -6.343 1.00 63.44 C ATOM 225 CG LEU A 15 2.785 6.929 -7.691 1.00 22.50 C ATOM 226 CD1 LEU A 15 1.643 7.055 -8.699 1.00 64.20 C ATOM 227 CD2 LEU A 15 3.499 8.269 -7.516 1.00 72.32 C ATOM 0 H LEU A 15 2.017 4.849 -4.350 1.00 62.34 H new ATOM 0 HA LEU A 15 4.285 6.149 -5.663 1.00 34.14 H new ATOM 0 HB2 LEU A 15 1.825 5.405 -6.513 1.00 63.44 H new ATOM 0 HB3 LEU A 15 1.455 7.041 -6.003 1.00 63.44 H new ATOM 0 HG LEU A 15 3.512 6.214 -8.076 1.00 22.50 H new ATOM 0 HD11 LEU A 15 2.032 7.436 -9.643 1.00 64.20 H new ATOM 0 HD12 LEU A 15 1.191 6.076 -8.861 1.00 64.20 H new ATOM 0 HD13 LEU A 15 0.890 7.742 -8.312 1.00 64.20 H new ATOM 0 HD21 LEU A 15 3.856 8.620 -8.484 1.00 72.32 H new ATOM 0 HD22 LEU A 15 2.806 8.999 -7.098 1.00 72.32 H new ATOM 0 HD23 LEU A 15 4.346 8.145 -6.841 1.00 72.32 H new ATOM 239 N TRP A 16 4.510 8.004 -3.991 1.00 74.13 N ATOM 240 CA TRP A 16 4.671 9.181 -3.126 1.00 10.12 C ATOM 241 C TRP A 16 4.739 10.465 -3.968 1.00 64.50 C ATOM 242 O TRP A 16 5.646 10.633 -4.784 1.00 23.41 O ATOM 243 CB TRP A 16 5.944 9.027 -2.282 1.00 51.33 C ATOM 244 CG TRP A 16 6.034 9.982 -1.127 1.00 23.45 C ATOM 245 CD1 TRP A 16 6.492 11.268 -1.154 1.00 61.43 C ATOM 246 CD2 TRP A 16 5.664 9.716 0.233 1.00 13.30 C ATOM 247 NE1 TRP A 16 6.428 11.818 0.102 1.00 70.50 N ATOM 248 CE2 TRP A 16 5.923 10.886 0.971 1.00 14.24 C ATOM 249 CE3 TRP A 16 5.136 8.604 0.895 1.00 11.21 C ATOM 250 CZ2 TRP A 16 5.676 10.974 2.338 1.00 51.44 C ATOM 251 CZ3 TRP A 16 4.892 8.692 2.254 1.00 62.53 C ATOM 252 CH2 TRP A 16 5.160 9.869 2.962 1.00 0.43 C ATOM 0 H TRP A 16 5.389 7.581 -4.289 1.00 74.13 H new ATOM 0 HA TRP A 16 3.809 9.255 -2.464 1.00 10.12 H new ATOM 0 HB2 TRP A 16 5.993 8.007 -1.901 1.00 51.33 H new ATOM 0 HB3 TRP A 16 6.813 9.169 -2.925 1.00 51.33 H new ATOM 0 HD1 TRP A 16 6.852 11.778 -2.035 1.00 61.43 H new ATOM 0 HE1 TRP A 16 6.710 12.767 0.349 1.00 70.50 H new ATOM 0 HE3 TRP A 16 4.922 7.693 0.356 1.00 11.21 H new ATOM 0 HZ2 TRP A 16 5.884 11.881 2.887 1.00 51.44 H new ATOM 0 HZ3 TRP A 16 4.488 7.838 2.777 1.00 62.53 H new ATOM 0 HH2 TRP A 16 4.956 9.907 4.022 1.00 0.43 H new ATOM 263 N LEU A 17 3.778 11.367 -3.771 1.00 73.21 N ATOM 264 CA LEU A 17 3.690 12.588 -4.584 1.00 43.13 C ATOM 265 C LEU A 17 3.993 13.865 -3.787 1.00 14.54 C ATOM 266 O LEU A 17 4.270 13.831 -2.588 1.00 21.13 O ATOM 267 CB LEU A 17 2.292 12.696 -5.217 1.00 32.31 C ATOM 268 CG LEU A 17 1.986 11.656 -6.305 1.00 10.12 C ATOM 269 CD1 LEU A 17 0.546 11.795 -6.791 1.00 13.30 C ATOM 270 CD2 LEU A 17 2.967 11.795 -7.471 1.00 44.44 C ATOM 0 H LEU A 17 3.051 11.280 -3.061 1.00 73.21 H new ATOM 0 HA LEU A 17 4.453 12.505 -5.358 1.00 43.13 H new ATOM 0 HB2 LEU A 17 1.545 12.604 -4.428 1.00 32.31 H new ATOM 0 HB3 LEU A 17 2.181 13.692 -5.647 1.00 32.31 H new ATOM 0 HG LEU A 17 2.105 10.662 -5.874 1.00 10.12 H new ATOM 0 HD11 LEU A 17 0.348 11.050 -7.561 1.00 13.30 H new ATOM 0 HD12 LEU A 17 -0.137 11.642 -5.955 1.00 13.30 H new ATOM 0 HD13 LEU A 17 0.396 12.792 -7.204 1.00 13.30 H new ATOM 0 HD21 LEU A 17 2.735 11.050 -8.232 1.00 44.44 H new ATOM 0 HD22 LEU A 17 2.881 12.793 -7.901 1.00 44.44 H new ATOM 0 HD23 LEU A 17 3.984 11.641 -7.111 1.00 44.44 H new ATOM 282 N ASP A 18 3.918 14.994 -4.493 1.00 50.24 N ATOM 283 CA ASP A 18 4.127 16.333 -3.926 1.00 4.25 C ATOM 284 C ASP A 18 3.334 16.569 -2.622 1.00 73.45 C ATOM 285 O ASP A 18 3.774 17.311 -1.740 1.00 71.44 O ATOM 286 CB ASP A 18 3.724 17.357 -4.996 1.00 4.32 C ATOM 287 CG ASP A 18 3.588 18.774 -4.470 1.00 24.31 C ATOM 288 OD1 ASP A 18 4.598 19.508 -4.445 1.00 41.52 O ATOM 289 OD2 ASP A 18 2.458 19.165 -4.104 1.00 40.21 O ATOM 0 H ASP A 18 3.707 15.007 -5.491 1.00 50.24 H new ATOM 0 HA ASP A 18 5.177 16.438 -3.653 1.00 4.25 H new ATOM 0 HB2 ASP A 18 4.467 17.346 -5.794 1.00 4.32 H new ATOM 0 HB3 ASP A 18 2.776 17.052 -5.439 1.00 4.32 H new ATOM 294 N GLN A 19 2.167 15.942 -2.502 1.00 4.52 N ATOM 295 CA GLN A 19 1.313 16.130 -1.324 1.00 33.10 C ATOM 296 C GLN A 19 0.578 14.841 -0.925 1.00 54.44 C ATOM 297 O GLN A 19 0.678 14.397 0.221 1.00 25.01 O ATOM 298 CB GLN A 19 0.310 17.273 -1.567 1.00 33.24 C ATOM 299 CG GLN A 19 -0.457 17.174 -2.882 1.00 43.23 C ATOM 300 CD GLN A 19 -1.470 18.291 -3.054 1.00 34.31 C ATOM 301 OE1 GLN A 19 -2.631 18.157 -2.684 1.00 54.22 O ATOM 302 NE2 GLN A 19 -1.033 19.412 -3.591 1.00 42.41 N ATOM 0 H GLN A 19 1.789 15.302 -3.200 1.00 4.52 H new ATOM 0 HA GLN A 19 1.963 16.397 -0.491 1.00 33.10 H new ATOM 0 HB2 GLN A 19 -0.405 17.293 -0.745 1.00 33.24 H new ATOM 0 HB3 GLN A 19 0.847 18.221 -1.545 1.00 33.24 H new ATOM 0 HG2 GLN A 19 0.249 17.198 -3.712 1.00 43.23 H new ATOM 0 HG3 GLN A 19 -0.970 16.213 -2.927 1.00 43.23 H new ATOM 0 HE21 GLN A 19 -0.060 19.490 -3.888 1.00 42.41 H new ATOM 0 HE22 GLN A 19 -1.667 20.202 -3.709 1.00 42.41 H new ATOM 311 N ASN A 20 -0.152 14.247 -1.868 1.00 20.14 N ATOM 312 CA ASN A 20 -0.944 13.037 -1.605 1.00 13.21 C ATOM 313 C ASN A 20 -0.146 11.752 -1.882 1.00 22.35 C ATOM 314 O ASN A 20 0.988 11.799 -2.368 1.00 2.24 O ATOM 315 CB ASN A 20 -2.222 13.063 -2.453 1.00 15.52 C ATOM 316 CG ASN A 20 -3.136 14.217 -2.076 1.00 74.04 C ATOM 317 OD1 ASN A 20 -3.182 14.638 -0.928 1.00 65.21 O ATOM 318 ND2 ASN A 20 -3.858 14.749 -3.040 1.00 74.43 N ATOM 0 H ASN A 20 -0.214 14.584 -2.829 1.00 20.14 H new ATOM 0 HA ASN A 20 -1.205 13.032 -0.547 1.00 13.21 H new ATOM 0 HB2 ASN A 20 -1.955 13.142 -3.507 1.00 15.52 H new ATOM 0 HB3 ASN A 20 -2.758 12.122 -2.329 1.00 15.52 H new ATOM 0 HD21 ASN A 20 -4.477 15.534 -2.839 1.00 74.43 H new ATOM 0 HD22 ASN A 20 -3.798 14.376 -3.987 1.00 74.43 H new ATOM 325 N VAL A 21 -0.752 10.604 -1.578 1.00 75.03 N ATOM 326 CA VAL A 21 -0.086 9.304 -1.729 1.00 14.45 C ATOM 327 C VAL A 21 -1.036 8.242 -2.318 1.00 62.20 C ATOM 328 O VAL A 21 -2.252 8.303 -2.128 1.00 51.33 O ATOM 329 CB VAL A 21 0.463 8.817 -0.361 1.00 13.30 C ATOM 330 CG1 VAL A 21 -0.666 8.653 0.654 1.00 23.43 C ATOM 331 CG2 VAL A 21 1.246 7.520 -0.504 1.00 74.52 C ATOM 0 H VAL A 21 -1.707 10.545 -1.224 1.00 75.03 H new ATOM 0 HA VAL A 21 0.742 9.440 -2.425 1.00 14.45 H new ATOM 0 HB VAL A 21 1.148 9.581 0.006 1.00 13.30 H new ATOM 0 HG11 VAL A 21 -0.255 8.311 1.604 1.00 23.43 H new ATOM 0 HG12 VAL A 21 -1.167 9.610 0.799 1.00 23.43 H new ATOM 0 HG13 VAL A 21 -1.384 7.920 0.285 1.00 23.43 H new ATOM 0 HG21 VAL A 21 1.616 7.208 0.473 1.00 74.52 H new ATOM 0 HG22 VAL A 21 0.596 6.745 -0.910 1.00 74.52 H new ATOM 0 HG23 VAL A 21 2.089 7.676 -1.178 1.00 74.52 H new ATOM 341 N ALA A 22 -0.476 7.276 -3.047 1.00 11.02 N ATOM 342 CA ALA A 22 -1.268 6.189 -3.644 1.00 55.25 C ATOM 343 C ALA A 22 -0.657 4.812 -3.339 1.00 41.12 C ATOM 344 O ALA A 22 0.561 4.678 -3.218 1.00 11.20 O ATOM 345 CB ALA A 22 -1.386 6.397 -5.147 1.00 64.21 C ATOM 0 H ALA A 22 0.524 7.220 -3.241 1.00 11.02 H new ATOM 0 HA ALA A 22 -2.263 6.213 -3.199 1.00 55.25 H new ATOM 0 HB1 ALA A 22 -1.974 5.588 -5.581 1.00 64.21 H new ATOM 0 HB2 ALA A 22 -1.878 7.349 -5.345 1.00 64.21 H new ATOM 0 HB3 ALA A 22 -0.391 6.403 -5.593 1.00 64.21 H new ATOM 351 N ILE A 23 -1.505 3.789 -3.221 1.00 2.22 N ATOM 352 CA ILE A 23 -1.042 2.423 -2.914 1.00 52.24 C ATOM 353 C ILE A 23 -1.531 1.396 -3.955 1.00 64.22 C ATOM 354 O ILE A 23 -2.645 1.502 -4.470 1.00 72.03 O ATOM 355 CB ILE A 23 -1.502 1.971 -1.500 1.00 72.24 C ATOM 356 CG1 ILE A 23 -3.039 2.047 -1.373 1.00 71.10 C ATOM 357 CG2 ILE A 23 -0.824 2.817 -0.418 1.00 4.44 C ATOM 358 CD1 ILE A 23 -3.568 1.612 -0.020 1.00 54.22 C ATOM 0 H ILE A 23 -2.515 3.874 -3.332 1.00 2.22 H new ATOM 0 HA ILE A 23 0.047 2.459 -2.945 1.00 52.24 H new ATOM 0 HB ILE A 23 -1.203 0.932 -1.359 1.00 72.24 H new ATOM 0 HG12 ILE A 23 -3.359 3.071 -1.565 1.00 71.10 H new ATOM 0 HG13 ILE A 23 -3.488 1.423 -2.145 1.00 71.10 H new ATOM 0 HG21 ILE A 23 -1.158 2.486 0.565 1.00 4.44 H new ATOM 0 HG22 ILE A 23 0.258 2.703 -0.491 1.00 4.44 H new ATOM 0 HG23 ILE A 23 -1.088 3.865 -0.557 1.00 4.44 H new ATOM 0 HD11 ILE A 23 -4.655 1.694 -0.011 1.00 54.22 H new ATOM 0 HD12 ILE A 23 -3.281 0.577 0.168 1.00 54.22 H new ATOM 0 HD13 ILE A 23 -3.149 2.251 0.757 1.00 54.22 H new ATOM 370 N ALA A 24 -0.685 0.407 -4.258 1.00 62.34 N ATOM 371 CA ALA A 24 -1.030 -0.668 -5.201 1.00 30.51 C ATOM 372 C ALA A 24 -0.272 -1.965 -4.871 1.00 61.23 C ATOM 373 O ALA A 24 0.819 -1.923 -4.312 1.00 31.23 O ATOM 374 CB ALA A 24 -0.720 -0.237 -6.628 1.00 32.32 C ATOM 0 H ALA A 24 0.251 0.326 -3.862 1.00 62.34 H new ATOM 0 HA ALA A 24 -2.098 -0.864 -5.107 1.00 30.51 H new ATOM 0 HB1 ALA A 24 -0.980 -1.042 -7.316 1.00 32.32 H new ATOM 0 HB2 ALA A 24 -1.301 0.652 -6.874 1.00 32.32 H new ATOM 0 HB3 ALA A 24 0.343 -0.012 -6.717 1.00 32.32 H new ATOM 380 N VAL A 25 -0.839 -3.112 -5.237 1.00 4.25 N ATOM 381 CA VAL A 25 -0.226 -4.414 -4.920 1.00 23.21 C ATOM 382 C VAL A 25 0.081 -5.236 -6.187 1.00 70.21 C ATOM 383 O VAL A 25 -0.644 -5.160 -7.180 1.00 44.44 O ATOM 384 CB VAL A 25 -1.146 -5.240 -3.977 1.00 14.43 C ATOM 385 CG1 VAL A 25 -0.562 -6.625 -3.692 1.00 74.35 C ATOM 386 CG2 VAL A 25 -1.395 -4.485 -2.671 1.00 15.44 C ATOM 0 H VAL A 25 -1.718 -3.174 -5.751 1.00 4.25 H new ATOM 0 HA VAL A 25 0.718 -4.203 -4.417 1.00 23.21 H new ATOM 0 HB VAL A 25 -2.099 -5.381 -4.487 1.00 14.43 H new ATOM 0 HG11 VAL A 25 -1.232 -7.173 -3.030 1.00 74.35 H new ATOM 0 HG12 VAL A 25 -0.449 -7.172 -4.628 1.00 74.35 H new ATOM 0 HG13 VAL A 25 0.412 -6.518 -3.215 1.00 74.35 H new ATOM 0 HG21 VAL A 25 -2.041 -5.079 -2.025 1.00 15.44 H new ATOM 0 HG22 VAL A 25 -0.445 -4.305 -2.168 1.00 15.44 H new ATOM 0 HG23 VAL A 25 -1.877 -3.532 -2.888 1.00 15.44 H new ATOM 396 N ASP A 26 1.168 -6.014 -6.143 1.00 51.41 N ATOM 397 CA ASP A 26 1.533 -6.922 -7.242 1.00 24.53 C ATOM 398 C ASP A 26 1.429 -8.388 -6.802 1.00 5.32 C ATOM 399 O ASP A 26 1.803 -8.741 -5.681 1.00 15.04 O ATOM 400 CB ASP A 26 2.961 -6.648 -7.725 1.00 22.34 C ATOM 401 CG ASP A 26 3.179 -5.200 -8.103 1.00 61.40 C ATOM 402 OD1 ASP A 26 2.533 -4.720 -9.056 1.00 71.11 O ATOM 403 OD2 ASP A 26 4.004 -4.526 -7.451 1.00 41.02 O ATOM 0 H ASP A 26 1.815 -6.035 -5.355 1.00 51.41 H new ATOM 0 HA ASP A 26 0.833 -6.741 -8.058 1.00 24.53 H new ATOM 0 HB2 ASP A 26 3.665 -6.925 -6.941 1.00 22.34 H new ATOM 0 HB3 ASP A 26 3.177 -7.281 -8.586 1.00 22.34 H new ATOM 408 N GLN A 27 0.938 -9.240 -7.694 1.00 11.23 N ATOM 409 CA GLN A 27 0.839 -10.674 -7.418 1.00 22.31 C ATOM 410 C GLN A 27 2.098 -11.423 -7.906 1.00 2.55 C ATOM 411 O GLN A 27 2.414 -11.435 -9.101 1.00 44.23 O ATOM 412 CB GLN A 27 -0.431 -11.255 -8.070 1.00 64.31 C ATOM 413 CG GLN A 27 -0.480 -11.122 -9.592 1.00 31.15 C ATOM 414 CD GLN A 27 -1.782 -11.627 -10.190 1.00 14.33 C ATOM 415 OE1 GLN A 27 -2.734 -10.875 -10.374 1.00 42.42 O ATOM 416 NE2 GLN A 27 -1.838 -12.910 -10.487 1.00 44.34 N ATOM 0 H GLN A 27 0.601 -8.965 -8.617 1.00 11.23 H new ATOM 0 HA GLN A 27 0.770 -10.811 -6.339 1.00 22.31 H new ATOM 0 HB2 GLN A 27 -0.509 -12.310 -7.808 1.00 64.31 H new ATOM 0 HB3 GLN A 27 -1.302 -10.756 -7.646 1.00 64.31 H new ATOM 0 HG2 GLN A 27 -0.343 -10.075 -9.864 1.00 31.15 H new ATOM 0 HG3 GLN A 27 0.352 -11.676 -10.027 1.00 31.15 H new ATOM 0 HE21 GLN A 27 -1.028 -13.508 -10.321 1.00 44.34 H new ATOM 0 HE22 GLN A 27 -2.691 -13.305 -10.882 1.00 44.34 H new ATOM 425 N ILE A 28 2.830 -12.025 -6.973 1.00 71.11 N ATOM 426 CA ILE A 28 4.027 -12.807 -7.303 1.00 13.11 C ATOM 427 C ILE A 28 3.656 -14.186 -7.865 1.00 14.14 C ATOM 428 O ILE A 28 3.096 -15.031 -7.163 1.00 25.35 O ATOM 429 CB ILE A 28 4.942 -12.983 -6.067 1.00 4.11 C ATOM 430 CG1 ILE A 28 5.393 -11.612 -5.539 1.00 62.40 C ATOM 431 CG2 ILE A 28 6.150 -13.859 -6.406 1.00 2.22 C ATOM 432 CD1 ILE A 28 6.303 -11.687 -4.330 1.00 74.41 C ATOM 0 H ILE A 28 2.617 -11.988 -5.976 1.00 71.11 H new ATOM 0 HA ILE A 28 4.569 -12.250 -8.067 1.00 13.11 H new ATOM 0 HB ILE A 28 4.373 -13.484 -5.284 1.00 4.11 H new ATOM 0 HG12 ILE A 28 5.909 -11.078 -6.337 1.00 62.40 H new ATOM 0 HG13 ILE A 28 4.511 -11.025 -5.282 1.00 62.40 H new ATOM 0 HG21 ILE A 28 6.779 -13.969 -5.523 1.00 2.22 H new ATOM 0 HG22 ILE A 28 5.807 -14.841 -6.732 1.00 2.22 H new ATOM 0 HG23 ILE A 28 6.725 -13.392 -7.205 1.00 2.22 H new ATOM 0 HD11 ILE A 28 6.577 -10.679 -4.018 1.00 74.41 H new ATOM 0 HD12 ILE A 28 5.784 -12.191 -3.515 1.00 74.41 H new ATOM 0 HD13 ILE A 28 7.204 -12.245 -4.586 1.00 74.41 H new ATOM 444 N VAL A 29 3.981 -14.404 -9.135 1.00 54.32 N ATOM 445 CA VAL A 29 3.650 -15.653 -9.827 1.00 30.54 C ATOM 446 C VAL A 29 4.924 -16.458 -10.129 1.00 71.21 C ATOM 447 O VAL A 29 6.018 -15.892 -10.170 1.00 62.12 O ATOM 448 CB VAL A 29 2.908 -15.358 -11.158 1.00 65.25 C ATOM 449 CG1 VAL A 29 2.303 -16.628 -11.748 1.00 34.44 C ATOM 450 CG2 VAL A 29 1.839 -14.281 -10.960 1.00 71.30 C ATOM 0 H VAL A 29 4.478 -13.727 -9.714 1.00 54.32 H new ATOM 0 HA VAL A 29 3.002 -16.236 -9.173 1.00 30.54 H new ATOM 0 HB VAL A 29 3.641 -14.979 -11.871 1.00 65.25 H new ATOM 0 HG11 VAL A 29 1.790 -16.388 -12.679 1.00 34.44 H new ATOM 0 HG12 VAL A 29 3.095 -17.351 -11.945 1.00 34.44 H new ATOM 0 HG13 VAL A 29 1.591 -17.054 -11.041 1.00 34.44 H new ATOM 0 HG21 VAL A 29 1.333 -14.092 -11.907 1.00 71.30 H new ATOM 0 HG22 VAL A 29 1.112 -14.621 -10.222 1.00 71.30 H new ATOM 0 HG23 VAL A 29 2.309 -13.362 -10.610 1.00 71.30 H new ATOM 460 N GLY A 30 4.785 -17.770 -10.333 1.00 1.13 N ATOM 461 CA GLY A 30 5.924 -18.597 -10.732 1.00 21.11 C ATOM 462 C GLY A 30 6.460 -18.220 -12.111 1.00 2.50 C ATOM 463 O GLY A 30 6.318 -18.971 -13.077 1.00 72.22 O ATOM 0 H GLY A 30 3.906 -18.277 -10.230 1.00 1.13 H new ATOM 0 HA2 GLY A 30 6.720 -18.494 -9.995 1.00 21.11 H new ATOM 0 HA3 GLY A 30 5.625 -19.645 -10.735 1.00 21.11 H new ATOM 467 N LYS A 31 7.093 -17.052 -12.178 1.00 30.44 N ATOM 468 CA LYS A 31 7.512 -16.427 -13.438 1.00 24.22 C ATOM 469 C LYS A 31 8.075 -15.024 -13.158 1.00 65.40 C ATOM 470 O LYS A 31 9.027 -14.577 -13.802 1.00 65.12 O ATOM 471 CB LYS A 31 6.318 -16.316 -14.408 1.00 70.45 C ATOM 472 CG LYS A 31 6.652 -15.643 -15.740 1.00 13.20 C ATOM 473 CD LYS A 31 5.411 -15.445 -16.612 1.00 44.13 C ATOM 474 CE LYS A 31 4.757 -16.771 -16.993 1.00 32.14 C ATOM 475 NZ LYS A 31 3.542 -16.571 -17.827 1.00 21.31 N ATOM 0 H LYS A 31 7.334 -16.504 -11.352 1.00 30.44 H new ATOM 0 HA LYS A 31 8.282 -17.048 -13.895 1.00 24.22 H new ATOM 0 HB2 LYS A 31 5.931 -17.316 -14.606 1.00 70.45 H new ATOM 0 HB3 LYS A 31 5.520 -15.756 -13.921 1.00 70.45 H new ATOM 0 HG2 LYS A 31 7.119 -14.677 -15.550 1.00 13.20 H new ATOM 0 HG3 LYS A 31 7.380 -16.249 -16.279 1.00 13.20 H new ATOM 0 HD2 LYS A 31 4.689 -14.826 -16.079 1.00 44.13 H new ATOM 0 HD3 LYS A 31 5.688 -14.905 -17.517 1.00 44.13 H new ATOM 0 HE2 LYS A 31 5.474 -17.386 -17.537 1.00 32.14 H new ATOM 0 HE3 LYS A 31 4.490 -17.317 -16.088 1.00 32.14 H new ATOM 0 HZ1 LYS A 31 3.128 -17.495 -18.064 1.00 21.31 H new ATOM 0 HZ2 LYS A 31 2.847 -16.006 -17.298 1.00 21.31 H new ATOM 0 HZ3 LYS A 31 3.800 -16.072 -18.702 1.00 21.31 H new ATOM 489 N GLY A 32 7.470 -14.347 -12.182 1.00 53.23 N ATOM 490 CA GLY A 32 7.875 -12.993 -11.818 1.00 13.40 C ATOM 491 C GLY A 32 6.819 -12.278 -10.974 1.00 54.22 C ATOM 492 O GLY A 32 6.317 -12.835 -9.995 1.00 30.22 O ATOM 0 H GLY A 32 6.696 -14.717 -11.629 1.00 53.23 H new ATOM 0 HA2 GLY A 32 8.813 -13.033 -11.264 1.00 13.40 H new ATOM 0 HA3 GLY A 32 8.064 -12.417 -12.724 1.00 13.40 H new ATOM 496 N THR A 33 6.476 -11.049 -11.354 1.00 74.43 N ATOM 497 CA THR A 33 5.460 -10.257 -10.641 1.00 13.32 C ATOM 498 C THR A 33 4.492 -9.596 -11.624 1.00 75.43 C ATOM 499 O THR A 33 4.910 -9.035 -12.635 1.00 74.32 O ATOM 500 CB THR A 33 6.098 -9.146 -9.766 1.00 54.05 C ATOM 501 OG1 THR A 33 6.940 -8.300 -10.570 1.00 61.10 O ATOM 502 CG2 THR A 33 6.914 -9.745 -8.626 1.00 71.23 C ATOM 0 H THR A 33 6.887 -10.572 -12.157 1.00 74.43 H new ATOM 0 HA THR A 33 4.924 -10.955 -9.997 1.00 13.32 H new ATOM 0 HB THR A 33 5.290 -8.552 -9.339 1.00 54.05 H new ATOM 0 HG1 THR A 33 7.335 -7.602 -10.007 1.00 61.10 H new ATOM 0 HG21 THR A 33 7.349 -8.943 -8.030 1.00 71.23 H new ATOM 0 HG22 THR A 33 6.266 -10.355 -7.996 1.00 71.23 H new ATOM 0 HG23 THR A 33 7.711 -10.366 -9.036 1.00 71.23 H new ATOM 510 N SER A 34 3.199 -9.665 -11.324 1.00 2.43 N ATOM 511 CA SER A 34 2.162 -9.063 -12.181 1.00 31.22 C ATOM 512 C SER A 34 1.324 -8.043 -11.396 1.00 50.00 C ATOM 513 O SER A 34 0.897 -8.325 -10.279 1.00 31.15 O ATOM 514 CB SER A 34 1.242 -10.152 -12.755 1.00 12.24 C ATOM 515 OG SER A 34 0.204 -9.592 -13.549 1.00 64.04 O ATOM 0 H SER A 34 2.835 -10.131 -10.493 1.00 2.43 H new ATOM 0 HA SER A 34 2.664 -8.547 -13.000 1.00 31.22 H new ATOM 0 HB2 SER A 34 1.829 -10.845 -13.358 1.00 12.24 H new ATOM 0 HB3 SER A 34 0.806 -10.729 -11.939 1.00 12.24 H new ATOM 0 HG SER A 34 -0.362 -10.310 -13.901 1.00 64.04 H new ATOM 521 N PRO A 35 1.082 -6.843 -11.964 1.00 72.43 N ATOM 522 CA PRO A 35 0.271 -5.803 -11.300 1.00 24.13 C ATOM 523 C PRO A 35 -1.134 -6.298 -10.913 1.00 65.11 C ATOM 524 O PRO A 35 -1.995 -6.506 -11.773 1.00 74.13 O ATOM 525 CB PRO A 35 0.185 -4.685 -12.355 1.00 44.05 C ATOM 526 CG PRO A 35 1.369 -4.904 -13.238 1.00 43.14 C ATOM 527 CD PRO A 35 1.576 -6.396 -13.280 1.00 0.40 C ATOM 0 HA PRO A 35 0.718 -5.484 -10.359 1.00 24.13 H new ATOM 0 HB2 PRO A 35 -0.746 -4.744 -12.919 1.00 44.05 H new ATOM 0 HB3 PRO A 35 0.214 -3.699 -11.891 1.00 44.05 H new ATOM 0 HG2 PRO A 35 1.192 -4.505 -14.237 1.00 43.14 H new ATOM 0 HG3 PRO A 35 2.250 -4.397 -12.844 1.00 43.14 H new ATOM 0 HD2 PRO A 35 1.020 -6.857 -14.096 1.00 0.40 H new ATOM 0 HD3 PRO A 35 2.625 -6.653 -13.424 1.00 0.40 H new ATOM 535 N LEU A 36 -1.354 -6.498 -9.615 1.00 11.03 N ATOM 536 CA LEU A 36 -2.641 -6.994 -9.114 1.00 74.24 C ATOM 537 C LEU A 36 -3.692 -5.876 -9.095 1.00 52.43 C ATOM 538 O LEU A 36 -4.761 -6.000 -9.702 1.00 63.14 O ATOM 539 CB LEU A 36 -2.473 -7.573 -7.700 1.00 35.21 C ATOM 540 CG LEU A 36 -3.741 -8.188 -7.080 1.00 23.04 C ATOM 541 CD1 LEU A 36 -4.140 -9.469 -7.811 1.00 33.43 C ATOM 542 CD2 LEU A 36 -3.539 -8.452 -5.590 1.00 44.11 C ATOM 0 H LEU A 36 -0.659 -6.325 -8.888 1.00 11.03 H new ATOM 0 HA LEU A 36 -2.984 -7.780 -9.787 1.00 74.24 H new ATOM 0 HB2 LEU A 36 -1.697 -8.338 -7.729 1.00 35.21 H new ATOM 0 HB3 LEU A 36 -2.116 -6.781 -7.042 1.00 35.21 H new ATOM 0 HG LEU A 36 -4.555 -7.471 -7.191 1.00 23.04 H new ATOM 0 HD11 LEU A 36 -5.038 -9.884 -7.354 1.00 33.43 H new ATOM 0 HD12 LEU A 36 -4.337 -9.244 -8.859 1.00 33.43 H new ATOM 0 HD13 LEU A 36 -3.330 -10.195 -7.742 1.00 33.43 H new ATOM 0 HD21 LEU A 36 -4.447 -8.887 -5.171 1.00 44.11 H new ATOM 0 HD22 LEU A 36 -2.708 -9.144 -5.452 1.00 44.11 H new ATOM 0 HD23 LEU A 36 -3.318 -7.514 -5.081 1.00 44.11 H new ATOM 554 N THR A 37 -3.380 -4.787 -8.392 1.00 43.34 N ATOM 555 CA THR A 37 -4.292 -3.638 -8.270 1.00 5.14 C ATOM 556 C THR A 37 -3.636 -2.347 -8.775 1.00 24.32 C ATOM 557 O THR A 37 -2.415 -2.278 -8.926 1.00 22.11 O ATOM 558 CB THR A 37 -4.736 -3.411 -6.802 1.00 31.23 C ATOM 559 OG1 THR A 37 -3.616 -3.000 -6.001 1.00 62.14 O ATOM 560 CG2 THR A 37 -5.350 -4.674 -6.205 1.00 61.35 C ATOM 0 H THR A 37 -2.498 -4.672 -7.893 1.00 43.34 H new ATOM 0 HA THR A 37 -5.162 -3.876 -8.882 1.00 5.14 H new ATOM 0 HB THR A 37 -5.493 -2.626 -6.804 1.00 31.23 H new ATOM 0 HG1 THR A 37 -3.909 -2.858 -5.077 1.00 62.14 H new ATOM 0 HG21 THR A 37 -5.651 -4.481 -5.175 1.00 61.35 H new ATOM 0 HG22 THR A 37 -6.223 -4.965 -6.789 1.00 61.35 H new ATOM 0 HG23 THR A 37 -4.616 -5.479 -6.224 1.00 61.35 H new ATOM 568 N SER A 38 -4.448 -1.322 -9.030 1.00 43.55 N ATOM 569 CA SER A 38 -3.929 -0.016 -9.470 1.00 3.44 C ATOM 570 C SER A 38 -3.668 0.913 -8.274 1.00 20.31 C ATOM 571 O SER A 38 -4.075 0.622 -7.149 1.00 41.41 O ATOM 572 CB SER A 38 -4.908 0.655 -10.443 1.00 5.35 C ATOM 573 OG SER A 38 -4.368 1.865 -10.960 1.00 33.45 O ATOM 0 H SER A 38 -5.463 -1.364 -8.942 1.00 43.55 H new ATOM 0 HA SER A 38 -2.983 -0.195 -9.981 1.00 3.44 H new ATOM 0 HB2 SER A 38 -5.134 -0.026 -11.264 1.00 5.35 H new ATOM 0 HB3 SER A 38 -5.849 0.862 -9.932 1.00 5.35 H new ATOM 0 HG SER A 38 -5.010 2.272 -11.578 1.00 33.45 H new ATOM 579 N TYR A 39 -2.983 2.029 -8.521 1.00 53.42 N ATOM 580 CA TYR A 39 -2.662 2.991 -7.458 1.00 41.51 C ATOM 581 C TYR A 39 -3.905 3.755 -6.977 1.00 32.14 C ATOM 582 O TYR A 39 -4.419 4.636 -7.666 1.00 24.41 O ATOM 583 CB TYR A 39 -1.587 3.982 -7.928 1.00 30.33 C ATOM 584 CG TYR A 39 -0.181 3.411 -7.923 1.00 72.22 C ATOM 585 CD1 TYR A 39 0.464 3.129 -6.723 1.00 22.25 C ATOM 586 CD2 TYR A 39 0.504 3.164 -9.108 1.00 15.54 C ATOM 587 CE1 TYR A 39 1.743 2.616 -6.704 1.00 31.44 C ATOM 588 CE2 TYR A 39 1.787 2.651 -9.096 1.00 51.14 C ATOM 589 CZ TYR A 39 2.403 2.381 -7.892 1.00 32.31 C ATOM 590 OH TYR A 39 3.678 1.864 -7.872 1.00 23.20 O ATOM 0 H TYR A 39 -2.639 2.292 -9.444 1.00 53.42 H new ATOM 0 HA TYR A 39 -2.277 2.417 -6.615 1.00 41.51 H new ATOM 0 HB2 TYR A 39 -1.830 4.315 -8.937 1.00 30.33 H new ATOM 0 HB3 TYR A 39 -1.613 4.863 -7.287 1.00 30.33 H new ATOM 0 HD1 TYR A 39 -0.047 3.315 -5.790 1.00 22.25 H new ATOM 0 HD2 TYR A 39 0.026 3.377 -10.053 1.00 15.54 H new ATOM 0 HE1 TYR A 39 2.226 2.399 -5.763 1.00 31.44 H new ATOM 0 HE2 TYR A 39 2.305 2.462 -10.025 1.00 51.14 H new ATOM 0 HH TYR A 39 3.947 1.623 -8.783 1.00 23.20 H new ATOM 600 N PHE A 40 -4.384 3.408 -5.785 1.00 60.21 N ATOM 601 CA PHE A 40 -5.519 4.103 -5.171 1.00 32.21 C ATOM 602 C PHE A 40 -5.053 5.380 -4.444 1.00 72.54 C ATOM 603 O PHE A 40 -4.356 5.309 -3.430 1.00 22.00 O ATOM 604 CB PHE A 40 -6.244 3.172 -4.192 1.00 22.02 C ATOM 605 CG PHE A 40 -6.643 1.850 -4.802 1.00 61.04 C ATOM 606 CD1 PHE A 40 -7.639 1.786 -5.768 1.00 3.22 C ATOM 607 CD2 PHE A 40 -6.018 0.671 -4.412 1.00 51.31 C ATOM 608 CE1 PHE A 40 -8.001 0.576 -6.331 1.00 14.20 C ATOM 609 CE2 PHE A 40 -6.378 -0.539 -4.972 1.00 31.11 C ATOM 610 CZ PHE A 40 -7.371 -0.588 -5.931 1.00 24.32 C ATOM 0 H PHE A 40 -4.004 2.648 -5.221 1.00 60.21 H new ATOM 0 HA PHE A 40 -6.210 4.393 -5.962 1.00 32.21 H new ATOM 0 HB2 PHE A 40 -5.599 2.987 -3.333 1.00 22.02 H new ATOM 0 HB3 PHE A 40 -7.136 3.675 -3.818 1.00 22.02 H new ATOM 0 HD1 PHE A 40 -8.136 2.691 -6.083 1.00 3.22 H new ATOM 0 HD2 PHE A 40 -5.242 0.702 -3.662 1.00 51.31 H new ATOM 0 HE1 PHE A 40 -8.775 0.540 -7.083 1.00 14.20 H new ATOM 0 HE2 PHE A 40 -5.883 -1.447 -4.660 1.00 31.11 H new ATOM 0 HZ PHE A 40 -7.655 -1.534 -6.368 1.00 24.32 H new ATOM 620 N PHE A 41 -5.439 6.542 -4.974 1.00 24.20 N ATOM 621 CA PHE A 41 -4.995 7.838 -4.433 1.00 43.10 C ATOM 622 C PHE A 41 -5.796 8.269 -3.190 1.00 14.11 C ATOM 623 O PHE A 41 -7.020 8.392 -3.226 1.00 14.13 O ATOM 624 CB PHE A 41 -5.090 8.928 -5.513 1.00 33.43 C ATOM 625 CG PHE A 41 -4.130 8.733 -6.665 1.00 41.14 C ATOM 626 CD1 PHE A 41 -4.459 7.909 -7.733 1.00 1.04 C ATOM 627 CD2 PHE A 41 -2.898 9.375 -6.679 1.00 13.32 C ATOM 628 CE1 PHE A 41 -3.581 7.728 -8.787 1.00 13.54 C ATOM 629 CE2 PHE A 41 -2.017 9.196 -7.730 1.00 71.52 C ATOM 630 CZ PHE A 41 -2.358 8.372 -8.784 1.00 31.44 C ATOM 0 H PHE A 41 -6.060 6.617 -5.780 1.00 24.20 H new ATOM 0 HA PHE A 41 -3.957 7.710 -4.124 1.00 43.10 H new ATOM 0 HB2 PHE A 41 -6.108 8.953 -5.901 1.00 33.43 H new ATOM 0 HB3 PHE A 41 -4.900 9.898 -5.054 1.00 33.43 H new ATOM 0 HD1 PHE A 41 -5.413 7.403 -7.741 1.00 1.04 H new ATOM 0 HD2 PHE A 41 -2.625 10.022 -5.859 1.00 13.32 H new ATOM 0 HE1 PHE A 41 -3.851 7.084 -9.611 1.00 13.54 H new ATOM 0 HE2 PHE A 41 -1.062 9.701 -7.726 1.00 71.52 H new ATOM 0 HZ PHE A 41 -1.670 8.231 -9.605 1.00 31.44 H new ATOM 640 N TRP A 42 -5.077 8.516 -2.100 1.00 24.31 N ATOM 641 CA TRP A 42 -5.657 8.993 -0.838 1.00 52.43 C ATOM 642 C TRP A 42 -5.040 10.360 -0.452 1.00 1.25 C ATOM 643 O TRP A 42 -3.856 10.599 -0.702 1.00 44.42 O ATOM 644 CB TRP A 42 -5.440 7.910 0.252 1.00 53.54 C ATOM 645 CG TRP A 42 -5.061 8.412 1.621 1.00 11.02 C ATOM 646 CD1 TRP A 42 -3.802 8.705 2.057 1.00 73.13 C ATOM 647 CD2 TRP A 42 -5.933 8.645 2.739 1.00 15.32 C ATOM 648 NE1 TRP A 42 -3.834 9.119 3.360 1.00 41.21 N ATOM 649 CE2 TRP A 42 -5.129 9.095 3.804 1.00 24.33 C ATOM 650 CE3 TRP A 42 -7.314 8.529 2.943 1.00 44.43 C ATOM 651 CZ2 TRP A 42 -5.653 9.421 5.052 1.00 3.23 C ATOM 652 CZ3 TRP A 42 -7.834 8.854 4.184 1.00 15.32 C ATOM 653 CH2 TRP A 42 -7.005 9.298 5.223 1.00 61.31 C ATOM 0 H TRP A 42 -4.065 8.391 -2.062 1.00 24.31 H new ATOM 0 HA TRP A 42 -6.730 9.154 -0.944 1.00 52.43 H new ATOM 0 HB2 TRP A 42 -6.356 7.326 0.342 1.00 53.54 H new ATOM 0 HB3 TRP A 42 -4.661 7.229 -0.091 1.00 53.54 H new ATOM 0 HD1 TRP A 42 -2.907 8.622 1.458 1.00 73.13 H new ATOM 0 HE1 TRP A 42 -3.024 9.400 3.912 1.00 41.21 H new ATOM 0 HE3 TRP A 42 -7.961 8.192 2.147 1.00 44.43 H new ATOM 0 HZ2 TRP A 42 -5.016 9.759 5.856 1.00 3.23 H new ATOM 0 HZ3 TRP A 42 -8.897 8.764 4.354 1.00 15.32 H new ATOM 0 HH2 TRP A 42 -7.442 9.548 6.178 1.00 61.31 H new ATOM 664 N PRO A 43 -5.826 11.294 0.147 1.00 51.31 N ATOM 665 CA PRO A 43 -7.239 11.084 0.524 1.00 3.24 C ATOM 666 C PRO A 43 -8.249 11.391 -0.600 1.00 43.20 C ATOM 667 O PRO A 43 -9.429 11.622 -0.331 1.00 43.14 O ATOM 668 CB PRO A 43 -7.402 12.076 1.680 1.00 13.30 C ATOM 669 CG PRO A 43 -6.533 13.230 1.299 1.00 3.32 C ATOM 670 CD PRO A 43 -5.370 12.650 0.521 1.00 24.22 C ATOM 0 HA PRO A 43 -7.445 10.041 0.766 1.00 3.24 H new ATOM 0 HB2 PRO A 43 -8.441 12.382 1.798 1.00 13.30 H new ATOM 0 HB3 PRO A 43 -7.089 11.638 2.628 1.00 13.30 H new ATOM 0 HG2 PRO A 43 -7.085 13.949 0.694 1.00 3.32 H new ATOM 0 HG3 PRO A 43 -6.182 13.761 2.184 1.00 3.32 H new ATOM 0 HD2 PRO A 43 -5.141 13.250 -0.359 1.00 24.22 H new ATOM 0 HD3 PRO A 43 -4.464 12.613 1.126 1.00 24.22 H new ATOM 678 N ARG A 44 -7.789 11.391 -1.853 1.00 72.51 N ATOM 679 CA ARG A 44 -8.683 11.585 -3.008 1.00 72.12 C ATOM 680 C ARG A 44 -9.822 10.552 -3.020 1.00 4.22 C ATOM 681 O ARG A 44 -10.954 10.853 -3.409 1.00 63.22 O ATOM 682 CB ARG A 44 -7.884 11.500 -4.316 1.00 13.13 C ATOM 683 CG ARG A 44 -6.987 12.706 -4.569 1.00 12.24 C ATOM 684 CD ARG A 44 -7.809 13.976 -4.775 1.00 11.51 C ATOM 685 NE ARG A 44 -6.970 15.131 -5.069 1.00 33.42 N ATOM 686 CZ ARG A 44 -7.372 16.180 -5.733 1.00 42.32 C ATOM 687 NH1 ARG A 44 -8.582 16.249 -6.190 1.00 14.41 N ATOM 688 NH2 ARG A 44 -6.553 17.157 -5.939 1.00 1.42 N ATOM 0 H ARG A 44 -6.808 11.260 -2.098 1.00 72.51 H new ATOM 0 HA ARG A 44 -9.129 12.576 -2.920 1.00 72.12 H new ATOM 0 HB2 ARG A 44 -7.270 10.600 -4.298 1.00 13.13 H new ATOM 0 HB3 ARG A 44 -8.579 11.395 -5.149 1.00 13.13 H new ATOM 0 HG2 ARG A 44 -6.310 12.841 -3.726 1.00 12.24 H new ATOM 0 HG3 ARG A 44 -6.369 12.524 -5.448 1.00 12.24 H new ATOM 0 HD2 ARG A 44 -8.513 13.823 -5.593 1.00 11.51 H new ATOM 0 HD3 ARG A 44 -8.398 14.175 -3.880 1.00 11.51 H new ATOM 0 HE ARG A 44 -6.007 15.119 -4.734 1.00 33.42 H new ATOM 0 HH11 ARG A 44 -9.231 15.478 -6.032 1.00 14.41 H new ATOM 0 HH12 ARG A 44 -8.885 17.074 -6.708 1.00 14.41 H new ATOM 0 HH21 ARG A 44 -5.598 17.106 -5.583 1.00 1.42 H new ATOM 0 HH22 ARG A 44 -6.861 17.980 -6.457 1.00 1.42 H new ATOM 702 N ALA A 45 -9.506 9.335 -2.606 1.00 63.30 N ATOM 703 CA ALA A 45 -10.493 8.265 -2.481 1.00 50.44 C ATOM 704 C ALA A 45 -10.096 7.300 -1.361 1.00 41.24 C ATOM 705 O ALA A 45 -8.964 7.336 -0.869 1.00 3.55 O ATOM 706 CB ALA A 45 -10.638 7.521 -3.806 1.00 13.03 C ATOM 0 H ALA A 45 -8.559 9.058 -2.346 1.00 63.30 H new ATOM 0 HA ALA A 45 -11.456 8.707 -2.227 1.00 50.44 H new ATOM 0 HB1 ALA A 45 -11.376 6.727 -3.698 1.00 13.03 H new ATOM 0 HB2 ALA A 45 -10.963 8.216 -4.580 1.00 13.03 H new ATOM 0 HB3 ALA A 45 -9.678 7.088 -4.087 1.00 13.03 H new ATOM 712 N ASP A 46 -11.024 6.440 -0.951 1.00 32.04 N ATOM 713 CA ASP A 46 -10.745 5.451 0.089 1.00 41.32 C ATOM 714 C ASP A 46 -9.776 4.373 -0.418 1.00 53.23 C ATOM 715 O ASP A 46 -10.186 3.312 -0.888 1.00 21.14 O ATOM 716 CB ASP A 46 -12.054 4.830 0.586 1.00 3.44 C ATOM 717 CG ASP A 46 -12.893 5.835 1.347 1.00 11.21 C ATOM 718 OD1 ASP A 46 -13.531 6.697 0.707 1.00 2.52 O ATOM 719 OD2 ASP A 46 -12.890 5.791 2.594 1.00 12.33 O ATOM 0 H ASP A 46 -11.974 6.407 -1.321 1.00 32.04 H new ATOM 0 HA ASP A 46 -10.261 5.954 0.926 1.00 41.32 H new ATOM 0 HB2 ASP A 46 -12.622 4.449 -0.263 1.00 3.44 H new ATOM 0 HB3 ASP A 46 -11.832 3.978 1.229 1.00 3.44 H new ATOM 724 N ALA A 47 -8.482 4.681 -0.345 1.00 13.24 N ATOM 725 CA ALA A 47 -7.429 3.790 -0.842 1.00 51.34 C ATOM 726 C ALA A 47 -7.466 2.409 -0.169 1.00 44.12 C ATOM 727 O ALA A 47 -7.492 1.381 -0.844 1.00 10.33 O ATOM 728 CB ALA A 47 -6.063 4.438 -0.639 1.00 2.51 C ATOM 0 H ALA A 47 -8.133 5.551 0.058 1.00 13.24 H new ATOM 0 HA ALA A 47 -7.608 3.634 -1.906 1.00 51.34 H new ATOM 0 HB1 ALA A 47 -5.285 3.771 -1.010 1.00 2.51 H new ATOM 0 HB2 ALA A 47 -6.023 5.381 -1.184 1.00 2.51 H new ATOM 0 HB3 ALA A 47 -5.904 4.626 0.423 1.00 2.51 H new ATOM 734 N TRP A 48 -7.475 2.396 1.162 1.00 11.14 N ATOM 735 CA TRP A 48 -7.458 1.140 1.921 1.00 31.44 C ATOM 736 C TRP A 48 -8.749 0.333 1.693 1.00 72.25 C ATOM 737 O TRP A 48 -8.709 -0.886 1.515 1.00 60.31 O ATOM 738 CB TRP A 48 -7.262 1.427 3.418 1.00 30.13 C ATOM 739 CG TRP A 48 -6.925 0.205 4.224 1.00 44.33 C ATOM 740 CD1 TRP A 48 -5.707 -0.407 4.306 1.00 11.24 C ATOM 741 CD2 TRP A 48 -7.810 -0.548 5.065 1.00 34.22 C ATOM 742 NE1 TRP A 48 -5.780 -1.493 5.140 1.00 65.32 N ATOM 743 CE2 TRP A 48 -7.058 -1.601 5.621 1.00 71.43 C ATOM 744 CE3 TRP A 48 -9.161 -0.432 5.405 1.00 62.22 C ATOM 745 CZ2 TRP A 48 -7.617 -2.534 6.494 1.00 54.21 C ATOM 746 CZ3 TRP A 48 -9.712 -1.358 6.271 1.00 22.35 C ATOM 747 CH2 TRP A 48 -8.941 -2.396 6.807 1.00 41.11 C ATOM 0 H TRP A 48 -7.494 3.237 1.739 1.00 11.14 H new ATOM 0 HA TRP A 48 -6.621 0.540 1.563 1.00 31.44 H new ATOM 0 HB2 TRP A 48 -6.466 2.162 3.538 1.00 30.13 H new ATOM 0 HB3 TRP A 48 -8.172 1.875 3.816 1.00 30.13 H new ATOM 0 HD1 TRP A 48 -4.816 -0.083 3.789 1.00 11.24 H new ATOM 0 HE1 TRP A 48 -5.007 -2.119 5.366 1.00 65.32 H new ATOM 0 HE3 TRP A 48 -9.763 0.367 4.998 1.00 62.22 H new ATOM 0 HZ2 TRP A 48 -7.025 -3.337 6.908 1.00 54.21 H new ATOM 0 HZ3 TRP A 48 -10.755 -1.279 6.539 1.00 22.35 H new ATOM 0 HH2 TRP A 48 -9.401 -3.103 7.482 1.00 41.11 H new ATOM 758 N GLN A 49 -9.888 1.025 1.692 1.00 0.53 N ATOM 759 CA GLN A 49 -11.185 0.385 1.440 1.00 30.44 C ATOM 760 C GLN A 49 -11.238 -0.255 0.040 1.00 53.34 C ATOM 761 O GLN A 49 -11.727 -1.372 -0.122 1.00 30.52 O ATOM 762 CB GLN A 49 -12.321 1.404 1.604 1.00 63.30 C ATOM 763 CG GLN A 49 -13.716 0.838 1.338 1.00 43.43 C ATOM 764 CD GLN A 49 -14.092 -0.316 2.260 1.00 73.42 C ATOM 765 OE1 GLN A 49 -14.828 -1.215 1.874 1.00 25.34 O ATOM 766 NE2 GLN A 49 -13.611 -0.296 3.487 1.00 1.40 N ATOM 0 H GLN A 49 -9.942 2.029 1.863 1.00 0.53 H new ATOM 0 HA GLN A 49 -11.312 -0.411 2.174 1.00 30.44 H new ATOM 0 HB2 GLN A 49 -12.291 1.804 2.617 1.00 63.30 H new ATOM 0 HB3 GLN A 49 -12.145 2.239 0.926 1.00 63.30 H new ATOM 0 HG2 GLN A 49 -14.450 1.636 1.450 1.00 43.43 H new ATOM 0 HG3 GLN A 49 -13.770 0.498 0.304 1.00 43.43 H new ATOM 0 HE21 GLN A 49 -13.000 0.465 3.783 1.00 1.40 H new ATOM 0 HE22 GLN A 49 -13.850 -1.042 4.141 1.00 1.40 H new ATOM 775 N GLN A 50 -10.735 0.455 -0.969 1.00 40.54 N ATOM 776 CA GLN A 50 -10.678 -0.086 -2.334 1.00 12.04 C ATOM 777 C GLN A 50 -9.674 -1.246 -2.435 1.00 33.13 C ATOM 778 O GLN A 50 -9.921 -2.229 -3.132 1.00 14.43 O ATOM 779 CB GLN A 50 -10.315 1.016 -3.339 1.00 3.23 C ATOM 780 CG GLN A 50 -11.386 2.093 -3.488 1.00 24.13 C ATOM 781 CD GLN A 50 -10.994 3.172 -4.482 1.00 10.50 C ATOM 782 OE1 GLN A 50 -11.274 3.073 -5.671 1.00 62.30 O ATOM 783 NE2 GLN A 50 -10.339 4.208 -4.002 1.00 54.33 N ATOM 0 H GLN A 50 -10.363 1.400 -0.873 1.00 40.54 H new ATOM 0 HA GLN A 50 -11.668 -0.472 -2.577 1.00 12.04 H new ATOM 0 HB2 GLN A 50 -9.382 1.486 -3.027 1.00 3.23 H new ATOM 0 HB3 GLN A 50 -10.133 0.561 -4.313 1.00 3.23 H new ATOM 0 HG2 GLN A 50 -12.319 1.630 -3.809 1.00 24.13 H new ATOM 0 HG3 GLN A 50 -11.574 2.550 -2.517 1.00 24.13 H new ATOM 0 HE21 GLN A 50 -10.123 4.258 -3.006 1.00 54.33 H new ATOM 0 HE22 GLN A 50 -10.048 4.961 -4.626 1.00 54.33 H new ATOM 792 N LEU A 51 -8.551 -1.133 -1.725 1.00 30.44 N ATOM 793 CA LEU A 51 -7.535 -2.192 -1.717 1.00 54.22 C ATOM 794 C LEU A 51 -8.095 -3.500 -1.131 1.00 33.42 C ATOM 795 O LEU A 51 -8.013 -4.557 -1.762 1.00 3.12 O ATOM 796 CB LEU A 51 -6.294 -1.742 -0.931 1.00 2.34 C ATOM 797 CG LEU A 51 -5.123 -2.740 -0.933 1.00 14.13 C ATOM 798 CD1 LEU A 51 -4.691 -3.063 -2.362 1.00 3.32 C ATOM 799 CD2 LEU A 51 -3.948 -2.199 -0.120 1.00 34.23 C ATOM 0 H LEU A 51 -8.320 -0.323 -1.149 1.00 30.44 H new ATOM 0 HA LEU A 51 -7.246 -2.384 -2.750 1.00 54.22 H new ATOM 0 HB2 LEU A 51 -5.945 -0.795 -1.344 1.00 2.34 H new ATOM 0 HB3 LEU A 51 -6.587 -1.551 0.101 1.00 2.34 H new ATOM 0 HG LEU A 51 -5.462 -3.663 -0.464 1.00 14.13 H new ATOM 0 HD11 LEU A 51 -3.862 -3.770 -2.340 1.00 3.32 H new ATOM 0 HD12 LEU A 51 -5.528 -3.502 -2.905 1.00 3.32 H new ATOM 0 HD13 LEU A 51 -4.374 -2.148 -2.862 1.00 3.32 H new ATOM 0 HD21 LEU A 51 -3.132 -2.921 -0.135 1.00 34.23 H new ATOM 0 HD22 LEU A 51 -3.608 -1.258 -0.553 1.00 34.23 H new ATOM 0 HD23 LEU A 51 -4.264 -2.031 0.909 1.00 34.23 H new ATOM 811 N LYS A 52 -8.674 -3.427 0.071 1.00 23.44 N ATOM 812 CA LYS A 52 -9.286 -4.607 0.699 1.00 63.45 C ATOM 813 C LYS A 52 -10.433 -5.150 -0.167 1.00 74.23 C ATOM 814 O LYS A 52 -10.606 -6.359 -0.295 1.00 30.42 O ATOM 815 CB LYS A 52 -9.795 -4.282 2.116 1.00 71.32 C ATOM 816 CG LYS A 52 -10.942 -3.278 2.156 1.00 23.14 C ATOM 817 CD LYS A 52 -11.362 -2.933 3.585 1.00 54.45 C ATOM 818 CE LYS A 52 -11.926 -4.136 4.337 1.00 32.43 C ATOM 819 NZ LYS A 52 -13.185 -4.635 3.724 1.00 72.51 N ATOM 0 H LYS A 52 -8.733 -2.573 0.626 1.00 23.44 H new ATOM 0 HA LYS A 52 -8.517 -5.375 0.782 1.00 63.45 H new ATOM 0 HB2 LYS A 52 -10.120 -5.206 2.594 1.00 71.32 H new ATOM 0 HB3 LYS A 52 -8.966 -3.892 2.707 1.00 71.32 H new ATOM 0 HG2 LYS A 52 -10.643 -2.367 1.638 1.00 23.14 H new ATOM 0 HG3 LYS A 52 -11.797 -3.685 1.617 1.00 23.14 H new ATOM 0 HD2 LYS A 52 -10.502 -2.540 4.128 1.00 54.45 H new ATOM 0 HD3 LYS A 52 -12.111 -2.142 3.559 1.00 54.45 H new ATOM 0 HE2 LYS A 52 -11.186 -4.936 4.348 1.00 32.43 H new ATOM 0 HE3 LYS A 52 -12.113 -3.860 5.375 1.00 32.43 H new ATOM 0 HZ1 LYS A 52 -13.944 -4.628 4.435 1.00 72.51 H new ATOM 0 HZ2 LYS A 52 -13.451 -4.021 2.928 1.00 72.51 H new ATOM 0 HZ3 LYS A 52 -13.042 -5.606 3.380 1.00 72.51 H new ATOM 833 N ASP A 53 -11.198 -4.241 -0.775 1.00 21.22 N ATOM 834 CA ASP A 53 -12.299 -4.615 -1.666 1.00 0.14 C ATOM 835 C ASP A 53 -11.806 -5.479 -2.840 1.00 23.15 C ATOM 836 O ASP A 53 -12.382 -6.530 -3.130 1.00 14.22 O ATOM 837 CB ASP A 53 -12.992 -3.352 -2.184 1.00 44.03 C ATOM 838 CG ASP A 53 -14.126 -3.659 -3.144 1.00 20.13 C ATOM 839 OD1 ASP A 53 -15.142 -4.236 -2.705 1.00 0.34 O ATOM 840 OD2 ASP A 53 -14.017 -3.310 -4.334 1.00 4.10 O ATOM 0 H ASP A 53 -11.074 -3.234 -0.666 1.00 21.22 H new ATOM 0 HA ASP A 53 -13.012 -5.212 -1.098 1.00 0.14 H new ATOM 0 HB2 ASP A 53 -13.380 -2.783 -1.339 1.00 44.03 H new ATOM 0 HB3 ASP A 53 -12.259 -2.719 -2.684 1.00 44.03 H new ATOM 845 N GLU A 54 -10.734 -5.034 -3.500 1.00 61.55 N ATOM 846 CA GLU A 54 -10.105 -5.807 -4.585 1.00 20.12 C ATOM 847 C GLU A 54 -9.677 -7.201 -4.097 1.00 11.22 C ATOM 848 O GLU A 54 -9.959 -8.213 -4.737 1.00 25.20 O ATOM 849 CB GLU A 54 -8.880 -5.052 -5.133 1.00 72.23 C ATOM 850 CG GLU A 54 -9.217 -3.797 -5.936 1.00 35.33 C ATOM 851 CD GLU A 54 -9.862 -4.110 -7.277 1.00 64.43 C ATOM 852 OE1 GLU A 54 -9.218 -4.789 -8.108 1.00 22.10 O ATOM 853 OE2 GLU A 54 -11.014 -3.687 -7.511 1.00 24.12 O ATOM 0 H GLU A 54 -10.280 -4.142 -3.305 1.00 61.55 H new ATOM 0 HA GLU A 54 -10.841 -5.930 -5.379 1.00 20.12 H new ATOM 0 HB2 GLU A 54 -8.238 -4.772 -4.298 1.00 72.23 H new ATOM 0 HB3 GLU A 54 -8.305 -5.729 -5.765 1.00 72.23 H new ATOM 0 HG2 GLU A 54 -9.889 -3.168 -5.353 1.00 35.33 H new ATOM 0 HG3 GLU A 54 -8.306 -3.222 -6.102 1.00 35.33 H new ATOM 860 N LEU A 55 -9.008 -7.237 -2.947 1.00 23.15 N ATOM 861 CA LEU A 55 -8.501 -8.488 -2.370 1.00 4.23 C ATOM 862 C LEU A 55 -9.642 -9.452 -1.998 1.00 42.22 C ATOM 863 O LEU A 55 -9.546 -10.660 -2.220 1.00 61.21 O ATOM 864 CB LEU A 55 -7.645 -8.171 -1.135 1.00 21.03 C ATOM 865 CG LEU A 55 -6.417 -7.282 -1.404 1.00 30.21 C ATOM 866 CD1 LEU A 55 -5.742 -6.872 -0.097 1.00 34.14 C ATOM 867 CD2 LEU A 55 -5.427 -7.997 -2.323 1.00 51.43 C ATOM 0 H LEU A 55 -8.801 -6.408 -2.389 1.00 23.15 H new ATOM 0 HA LEU A 55 -7.891 -8.987 -3.123 1.00 4.23 H new ATOM 0 HB2 LEU A 55 -8.274 -7.680 -0.392 1.00 21.03 H new ATOM 0 HB3 LEU A 55 -7.306 -9.109 -0.696 1.00 21.03 H new ATOM 0 HG LEU A 55 -6.758 -6.376 -1.905 1.00 30.21 H new ATOM 0 HD11 LEU A 55 -4.878 -6.245 -0.315 1.00 34.14 H new ATOM 0 HD12 LEU A 55 -6.449 -6.315 0.518 1.00 34.14 H new ATOM 0 HD13 LEU A 55 -5.417 -7.763 0.440 1.00 34.14 H new ATOM 0 HD21 LEU A 55 -4.566 -7.353 -2.502 1.00 51.43 H new ATOM 0 HD22 LEU A 55 -5.096 -8.923 -1.852 1.00 51.43 H new ATOM 0 HD23 LEU A 55 -5.912 -8.226 -3.272 1.00 51.43 H new ATOM 879 N GLU A 56 -10.718 -8.912 -1.428 1.00 52.32 N ATOM 880 CA GLU A 56 -11.885 -9.719 -1.040 1.00 24.50 C ATOM 881 C GLU A 56 -12.737 -10.104 -2.260 1.00 2.24 C ATOM 882 O GLU A 56 -13.443 -11.116 -2.243 1.00 40.42 O ATOM 883 CB GLU A 56 -12.737 -8.959 -0.012 1.00 44.43 C ATOM 884 CG GLU A 56 -11.982 -8.626 1.271 1.00 60.23 C ATOM 885 CD GLU A 56 -12.825 -7.865 2.278 1.00 72.45 C ATOM 886 OE1 GLU A 56 -13.056 -6.658 2.072 1.00 52.13 O ATOM 887 OE2 GLU A 56 -13.257 -8.467 3.285 1.00 62.44 O ATOM 0 H GLU A 56 -10.811 -7.917 -1.222 1.00 52.32 H new ATOM 0 HA GLU A 56 -11.518 -10.641 -0.588 1.00 24.50 H new ATOM 0 HB2 GLU A 56 -13.099 -8.035 -0.463 1.00 44.43 H new ATOM 0 HB3 GLU A 56 -13.614 -9.557 0.236 1.00 44.43 H new ATOM 0 HG2 GLU A 56 -11.628 -9.550 1.727 1.00 60.23 H new ATOM 0 HG3 GLU A 56 -11.100 -8.035 1.024 1.00 60.23 H new ATOM 894 N ALA A 57 -12.679 -9.286 -3.311 1.00 14.35 N ATOM 895 CA ALA A 57 -13.354 -9.595 -4.577 1.00 42.14 C ATOM 896 C ALA A 57 -12.654 -10.758 -5.293 1.00 11.31 C ATOM 897 O ALA A 57 -13.301 -11.641 -5.864 1.00 64.31 O ATOM 898 CB ALA A 57 -13.386 -8.364 -5.475 1.00 34.32 C ATOM 0 H ALA A 57 -12.171 -8.402 -3.313 1.00 14.35 H new ATOM 0 HA ALA A 57 -14.379 -9.893 -4.356 1.00 42.14 H new ATOM 0 HB1 ALA A 57 -13.890 -8.609 -6.410 1.00 34.32 H new ATOM 0 HB2 ALA A 57 -13.925 -7.561 -4.972 1.00 34.32 H new ATOM 0 HB3 ALA A 57 -12.367 -8.041 -5.686 1.00 34.32 H new ATOM 904 N LYS A 58 -11.324 -10.743 -5.258 1.00 50.11 N ATOM 905 CA LYS A 58 -10.514 -11.829 -5.814 1.00 23.25 C ATOM 906 C LYS A 58 -10.392 -12.978 -4.794 1.00 3.21 C ATOM 907 O LYS A 58 -9.461 -13.018 -3.993 1.00 31.43 O ATOM 908 CB LYS A 58 -9.119 -11.302 -6.188 1.00 4.22 C ATOM 909 CG LYS A 58 -9.135 -10.083 -7.109 1.00 34.02 C ATOM 910 CD LYS A 58 -7.742 -9.471 -7.264 1.00 14.31 C ATOM 911 CE LYS A 58 -7.768 -8.197 -8.107 1.00 33.40 C ATOM 912 NZ LYS A 58 -8.271 -8.442 -9.485 1.00 53.22 N ATOM 0 H LYS A 58 -10.779 -9.985 -4.847 1.00 50.11 H new ATOM 0 HA LYS A 58 -11.001 -12.210 -6.711 1.00 23.25 H new ATOM 0 HB2 LYS A 58 -8.583 -11.046 -5.274 1.00 4.22 H new ATOM 0 HB3 LYS A 58 -8.559 -12.102 -6.672 1.00 4.22 H new ATOM 0 HG2 LYS A 58 -9.516 -10.372 -8.088 1.00 34.02 H new ATOM 0 HG3 LYS A 58 -9.819 -9.334 -6.709 1.00 34.02 H new ATOM 0 HD2 LYS A 58 -7.333 -9.246 -6.279 1.00 14.31 H new ATOM 0 HD3 LYS A 58 -7.076 -10.199 -7.727 1.00 14.31 H new ATOM 0 HE2 LYS A 58 -8.399 -7.454 -7.619 1.00 33.40 H new ATOM 0 HE3 LYS A 58 -6.763 -7.778 -8.159 1.00 33.40 H new ATOM 0 HZ1 LYS A 58 -8.160 -7.579 -10.054 1.00 53.22 H new ATOM 0 HZ2 LYS A 58 -7.729 -9.216 -9.920 1.00 53.22 H new ATOM 0 HZ3 LYS A 58 -9.277 -8.704 -9.446 1.00 53.22 H new ATOM 926 N HIS A 59 -11.337 -13.917 -4.837 1.00 43.24 N ATOM 927 CA HIS A 59 -11.434 -14.976 -3.815 1.00 22.44 C ATOM 928 C HIS A 59 -10.257 -15.976 -3.857 1.00 34.44 C ATOM 929 O HIS A 59 -10.184 -16.885 -3.029 1.00 64.45 O ATOM 930 CB HIS A 59 -12.771 -15.720 -3.947 1.00 42.22 C ATOM 931 CG HIS A 59 -13.970 -14.862 -3.657 1.00 73.22 C ATOM 932 ND1 HIS A 59 -14.579 -14.806 -2.420 1.00 33.31 N ATOM 933 CD2 HIS A 59 -14.677 -14.024 -4.454 1.00 3.54 C ATOM 934 CE1 HIS A 59 -15.601 -13.975 -2.470 1.00 50.03 C ATOM 935 NE2 HIS A 59 -15.683 -13.488 -3.690 1.00 42.43 N ATOM 0 H HIS A 59 -12.049 -13.972 -5.565 1.00 43.24 H new ATOM 0 HA HIS A 59 -11.382 -14.479 -2.846 1.00 22.44 H new ATOM 0 HB2 HIS A 59 -12.857 -16.119 -4.958 1.00 42.22 H new ATOM 0 HB3 HIS A 59 -12.772 -16.572 -3.267 1.00 42.22 H new ATOM 0 HD2 HIS A 59 -14.484 -13.817 -5.496 1.00 3.54 H new ATOM 0 HE1 HIS A 59 -16.260 -13.734 -1.649 1.00 50.03 H new ATOM 0 HE2 HIS A 59 -16.382 -12.820 -4.015 1.00 42.43 H new ATOM 944 N TRP A 60 -9.337 -15.810 -4.807 1.00 73.23 N ATOM 945 CA TRP A 60 -8.147 -16.676 -4.883 1.00 2.23 C ATOM 946 C TRP A 60 -6.996 -16.137 -4.005 1.00 44.22 C ATOM 947 O TRP A 60 -5.942 -16.768 -3.878 1.00 13.51 O ATOM 948 CB TRP A 60 -7.689 -16.861 -6.343 1.00 0.33 C ATOM 949 CG TRP A 60 -7.358 -15.583 -7.064 1.00 52.54 C ATOM 950 CD1 TRP A 60 -8.231 -14.740 -7.694 1.00 3.42 C ATOM 951 CD2 TRP A 60 -6.055 -15.016 -7.244 1.00 5.04 C ATOM 952 NE1 TRP A 60 -7.549 -13.681 -8.243 1.00 42.13 N ATOM 953 CE2 TRP A 60 -6.213 -13.829 -7.982 1.00 34.14 C ATOM 954 CE3 TRP A 60 -4.768 -15.395 -6.847 1.00 43.11 C ATOM 955 CZ2 TRP A 60 -5.136 -13.020 -8.333 1.00 24.44 C ATOM 956 CZ3 TRP A 60 -3.700 -14.590 -7.197 1.00 50.52 C ATOM 957 CH2 TRP A 60 -3.891 -13.415 -7.933 1.00 31.41 C ATOM 0 H TRP A 60 -9.386 -15.093 -5.531 1.00 73.23 H new ATOM 0 HA TRP A 60 -8.428 -17.654 -4.491 1.00 2.23 H new ATOM 0 HB2 TRP A 60 -6.811 -17.507 -6.355 1.00 0.33 H new ATOM 0 HB3 TRP A 60 -8.474 -17.380 -6.893 1.00 0.33 H new ATOM 0 HD1 TRP A 60 -9.300 -14.885 -7.752 1.00 3.42 H new ATOM 0 HE1 TRP A 60 -7.970 -12.910 -8.761 1.00 42.13 H new ATOM 0 HE3 TRP A 60 -4.612 -16.299 -6.278 1.00 43.11 H new ATOM 0 HZ2 TRP A 60 -5.280 -12.113 -8.901 1.00 24.44 H new ATOM 0 HZ3 TRP A 60 -2.702 -14.873 -6.897 1.00 50.52 H new ATOM 0 HH2 TRP A 60 -3.036 -12.808 -8.190 1.00 31.41 H new ATOM 968 N ILE A 61 -7.208 -14.966 -3.401 1.00 22.32 N ATOM 969 CA ILE A 61 -6.268 -14.407 -2.418 1.00 75.31 C ATOM 970 C ILE A 61 -6.462 -15.075 -1.044 1.00 71.50 C ATOM 971 O ILE A 61 -7.591 -15.355 -0.631 1.00 71.14 O ATOM 972 CB ILE A 61 -6.445 -12.859 -2.269 1.00 10.52 C ATOM 973 CG1 ILE A 61 -5.767 -12.100 -3.426 1.00 44.33 C ATOM 974 CG2 ILE A 61 -5.892 -12.358 -0.932 1.00 63.32 C ATOM 975 CD1 ILE A 61 -6.265 -12.473 -4.800 1.00 5.44 C ATOM 0 H ILE A 61 -8.026 -14.381 -3.574 1.00 22.32 H new ATOM 0 HA ILE A 61 -5.261 -14.608 -2.784 1.00 75.31 H new ATOM 0 HB ILE A 61 -7.516 -12.661 -2.301 1.00 10.52 H new ATOM 0 HG12 ILE A 61 -5.916 -11.030 -3.278 1.00 44.33 H new ATOM 0 HG13 ILE A 61 -4.693 -12.281 -3.382 1.00 44.33 H new ATOM 0 HG21 ILE A 61 -6.031 -11.279 -0.862 1.00 63.32 H new ATOM 0 HG22 ILE A 61 -6.421 -12.846 -0.114 1.00 63.32 H new ATOM 0 HG23 ILE A 61 -4.829 -12.592 -0.867 1.00 63.32 H new ATOM 0 HD11 ILE A 61 -5.732 -11.890 -5.551 1.00 5.44 H new ATOM 0 HD12 ILE A 61 -6.091 -13.535 -4.974 1.00 5.44 H new ATOM 0 HD13 ILE A 61 -7.333 -12.265 -4.869 1.00 5.44 H new ATOM 987 N ALA A 62 -5.364 -15.345 -0.344 1.00 23.20 N ATOM 988 CA ALA A 62 -5.436 -15.864 1.026 1.00 70.10 C ATOM 989 C ALA A 62 -5.586 -14.706 2.026 1.00 1.13 C ATOM 990 O ALA A 62 -4.880 -13.699 1.929 1.00 4.31 O ATOM 991 CB ALA A 62 -4.198 -16.695 1.342 1.00 11.34 C ATOM 0 H ALA A 62 -4.416 -15.215 -0.697 1.00 23.20 H new ATOM 0 HA ALA A 62 -6.311 -16.508 1.113 1.00 70.10 H new ATOM 0 HB1 ALA A 62 -4.265 -17.074 2.362 1.00 11.34 H new ATOM 0 HB2 ALA A 62 -4.135 -17.532 0.647 1.00 11.34 H new ATOM 0 HB3 ALA A 62 -3.308 -16.074 1.243 1.00 11.34 H new ATOM 997 N GLU A 63 -6.506 -14.848 2.984 1.00 11.12 N ATOM 998 CA GLU A 63 -6.816 -13.763 3.924 1.00 15.24 C ATOM 999 C GLU A 63 -5.567 -13.282 4.679 1.00 21.21 C ATOM 1000 O GLU A 63 -5.332 -12.080 4.791 1.00 40.43 O ATOM 1001 CB GLU A 63 -7.905 -14.191 4.916 1.00 60.51 C ATOM 1002 CG GLU A 63 -8.332 -13.068 5.856 1.00 40.10 C ATOM 1003 CD GLU A 63 -9.522 -13.436 6.726 1.00 22.31 C ATOM 1004 OE1 GLU A 63 -10.659 -13.444 6.210 1.00 42.42 O ATOM 1005 OE2 GLU A 63 -9.327 -13.709 7.929 1.00 31.51 O ATOM 0 H GLU A 63 -7.048 -15.699 3.130 1.00 11.12 H new ATOM 0 HA GLU A 63 -7.189 -12.926 3.333 1.00 15.24 H new ATOM 0 HB2 GLU A 63 -8.775 -14.544 4.362 1.00 60.51 H new ATOM 0 HB3 GLU A 63 -7.541 -15.032 5.506 1.00 60.51 H new ATOM 0 HG2 GLU A 63 -7.492 -12.799 6.496 1.00 40.10 H new ATOM 0 HG3 GLU A 63 -8.580 -12.185 5.267 1.00 40.10 H new ATOM 1012 N ALA A 64 -4.765 -14.215 5.179 1.00 50.14 N ATOM 1013 CA ALA A 64 -3.515 -13.868 5.869 1.00 1.33 C ATOM 1014 C ALA A 64 -2.655 -12.905 5.032 1.00 31.32 C ATOM 1015 O ALA A 64 -2.153 -11.898 5.539 1.00 74.21 O ATOM 1016 CB ALA A 64 -2.725 -15.129 6.193 1.00 1.42 C ATOM 0 H ALA A 64 -4.952 -15.216 5.123 1.00 50.14 H new ATOM 0 HA ALA A 64 -3.778 -13.360 6.797 1.00 1.33 H new ATOM 0 HB1 ALA A 64 -1.801 -14.858 6.704 1.00 1.42 H new ATOM 0 HB2 ALA A 64 -3.320 -15.776 6.838 1.00 1.42 H new ATOM 0 HB3 ALA A 64 -2.487 -15.657 5.269 1.00 1.42 H new ATOM 1022 N ASP A 65 -2.504 -13.217 3.746 1.00 61.21 N ATOM 1023 CA ASP A 65 -1.743 -12.375 2.820 1.00 23.22 C ATOM 1024 C ASP A 65 -2.405 -11.001 2.621 1.00 5.03 C ATOM 1025 O ASP A 65 -1.729 -9.970 2.641 1.00 63.14 O ATOM 1026 CB ASP A 65 -1.592 -13.083 1.471 1.00 52.44 C ATOM 1027 CG ASP A 65 -0.784 -14.362 1.583 1.00 33.43 C ATOM 1028 OD1 ASP A 65 -1.341 -15.392 2.024 1.00 4.44 O ATOM 1029 OD2 ASP A 65 0.414 -14.352 1.235 1.00 22.53 O ATOM 0 H ASP A 65 -2.901 -14.053 3.318 1.00 61.21 H new ATOM 0 HA ASP A 65 -0.759 -12.209 3.257 1.00 23.22 H new ATOM 0 HB2 ASP A 65 -2.579 -13.313 1.071 1.00 52.44 H new ATOM 0 HB3 ASP A 65 -1.109 -12.411 0.762 1.00 52.44 H new ATOM 1034 N ARG A 66 -3.729 -10.984 2.437 1.00 1.44 N ATOM 1035 CA ARG A 66 -4.444 -9.719 2.241 1.00 3.43 C ATOM 1036 C ARG A 66 -4.313 -8.833 3.488 1.00 72.23 C ATOM 1037 O ARG A 66 -4.143 -7.624 3.386 1.00 41.15 O ATOM 1038 CB ARG A 66 -5.931 -9.955 1.892 1.00 43.31 C ATOM 1039 CG ARG A 66 -6.871 -10.061 3.093 1.00 43.33 C ATOM 1040 CD ARG A 66 -8.318 -10.286 2.661 1.00 22.32 C ATOM 1041 NE ARG A 66 -9.250 -10.220 3.786 1.00 32.12 N ATOM 1042 CZ ARG A 66 -10.474 -10.680 3.752 1.00 14.24 C ATOM 1043 NH1 ARG A 66 -10.927 -11.288 2.705 1.00 41.31 N ATOM 1044 NH2 ARG A 66 -11.247 -10.537 4.774 1.00 25.34 N ATOM 0 H ARG A 66 -4.319 -11.816 2.420 1.00 1.44 H new ATOM 0 HA ARG A 66 -3.987 -9.204 1.396 1.00 3.43 H new ATOM 0 HB2 ARG A 66 -6.272 -9.139 1.254 1.00 43.31 H new ATOM 0 HB3 ARG A 66 -6.010 -10.871 1.307 1.00 43.31 H new ATOM 0 HG2 ARG A 66 -6.551 -10.882 3.734 1.00 43.33 H new ATOM 0 HG3 ARG A 66 -6.806 -9.149 3.687 1.00 43.33 H new ATOM 0 HD2 ARG A 66 -8.594 -9.537 1.919 1.00 22.32 H new ATOM 0 HD3 ARG A 66 -8.403 -11.259 2.178 1.00 22.32 H new ATOM 0 HE ARG A 66 -8.925 -9.788 4.651 1.00 32.12 H new ATOM 0 HH11 ARG A 66 -10.327 -11.415 1.890 1.00 41.31 H new ATOM 0 HH12 ARG A 66 -11.884 -11.641 2.694 1.00 41.31 H new ATOM 0 HH21 ARG A 66 -10.904 -10.065 5.611 1.00 25.34 H new ATOM 0 HH22 ARG A 66 -12.201 -10.896 4.746 1.00 25.34 H new ATOM 1058 N ILE A 67 -4.374 -9.454 4.664 1.00 14.55 N ATOM 1059 CA ILE A 67 -4.205 -8.735 5.928 1.00 72.01 C ATOM 1060 C ILE A 67 -2.779 -8.185 6.055 1.00 5.22 C ATOM 1061 O ILE A 67 -2.578 -7.057 6.504 1.00 64.51 O ATOM 1062 CB ILE A 67 -4.524 -9.650 7.140 1.00 35.12 C ATOM 1063 CG1 ILE A 67 -5.992 -10.106 7.096 1.00 53.00 C ATOM 1064 CG2 ILE A 67 -4.217 -8.949 8.461 1.00 32.14 C ATOM 1065 CD1 ILE A 67 -6.998 -8.968 7.110 1.00 1.23 C ATOM 0 H ILE A 67 -4.539 -10.455 4.770 1.00 14.55 H new ATOM 0 HA ILE A 67 -4.908 -7.902 5.927 1.00 72.01 H new ATOM 0 HB ILE A 67 -3.883 -10.530 7.075 1.00 35.12 H new ATOM 0 HG12 ILE A 67 -6.148 -10.703 6.198 1.00 53.00 H new ATOM 0 HG13 ILE A 67 -6.184 -10.757 7.949 1.00 53.00 H new ATOM 0 HG21 ILE A 67 -4.451 -9.617 9.290 1.00 32.14 H new ATOM 0 HG22 ILE A 67 -3.160 -8.685 8.496 1.00 32.14 H new ATOM 0 HG23 ILE A 67 -4.820 -8.045 8.542 1.00 32.14 H new ATOM 0 HD11 ILE A 67 -8.009 -9.375 7.077 1.00 1.23 H new ATOM 0 HD12 ILE A 67 -6.872 -8.383 8.021 1.00 1.23 H new ATOM 0 HD13 ILE A 67 -6.836 -8.328 6.242 1.00 1.23 H new ATOM 1077 N ASN A 68 -1.798 -8.983 5.638 1.00 23.22 N ATOM 1078 CA ASN A 68 -0.392 -8.567 5.650 1.00 72.44 C ATOM 1079 C ASN A 68 -0.182 -7.268 4.848 1.00 51.23 C ATOM 1080 O ASN A 68 0.356 -6.287 5.371 1.00 31.12 O ATOM 1081 CB ASN A 68 0.486 -9.701 5.097 1.00 44.52 C ATOM 1082 CG ASN A 68 1.956 -9.330 5.029 1.00 24.11 C ATOM 1083 OD1 ASN A 68 2.682 -9.435 6.010 1.00 12.52 O ATOM 1084 ND2 ASN A 68 2.410 -8.922 3.863 1.00 33.00 N ATOM 0 H ASN A 68 -1.950 -9.928 5.285 1.00 23.22 H new ATOM 0 HA ASN A 68 -0.101 -8.360 6.680 1.00 72.44 H new ATOM 0 HB2 ASN A 68 0.368 -10.584 5.725 1.00 44.52 H new ATOM 0 HB3 ASN A 68 0.138 -9.970 4.100 1.00 44.52 H new ATOM 0 HD21 ASN A 68 3.395 -8.681 3.755 1.00 33.00 H new ATOM 0 HD22 ASN A 68 1.777 -8.846 3.067 1.00 33.00 H new ATOM 1091 N VAL A 69 -0.627 -7.256 3.588 1.00 21.12 N ATOM 1092 CA VAL A 69 -0.493 -6.061 2.743 1.00 73.03 C ATOM 1093 C VAL A 69 -1.362 -4.893 3.255 1.00 10.24 C ATOM 1094 O VAL A 69 -0.975 -3.728 3.146 1.00 24.24 O ATOM 1095 CB VAL A 69 -0.830 -6.350 1.254 1.00 3.10 C ATOM 1096 CG1 VAL A 69 0.125 -7.389 0.673 1.00 44.20 C ATOM 1097 CG2 VAL A 69 -2.277 -6.801 1.093 1.00 22.11 C ATOM 0 H VAL A 69 -1.078 -8.049 3.133 1.00 21.12 H new ATOM 0 HA VAL A 69 0.555 -5.769 2.805 1.00 73.03 H new ATOM 0 HB VAL A 69 -0.705 -5.420 0.699 1.00 3.10 H new ATOM 0 HG11 VAL A 69 -0.131 -7.575 -0.370 1.00 44.20 H new ATOM 0 HG12 VAL A 69 1.148 -7.018 0.735 1.00 44.20 H new ATOM 0 HG13 VAL A 69 0.041 -8.317 1.238 1.00 44.20 H new ATOM 0 HG21 VAL A 69 -2.482 -6.996 0.040 1.00 22.11 H new ATOM 0 HG22 VAL A 69 -2.440 -7.712 1.669 1.00 22.11 H new ATOM 0 HG23 VAL A 69 -2.944 -6.019 1.454 1.00 22.11 H new ATOM 1107 N LEU A 70 -2.528 -5.204 3.824 1.00 60.10 N ATOM 1108 CA LEU A 70 -3.403 -4.172 4.397 1.00 13.42 C ATOM 1109 C LEU A 70 -2.778 -3.525 5.646 1.00 5.33 C ATOM 1110 O LEU A 70 -2.936 -2.324 5.873 1.00 2.41 O ATOM 1111 CB LEU A 70 -4.783 -4.754 4.742 1.00 33.42 C ATOM 1112 CG LEU A 70 -5.666 -5.116 3.538 1.00 40.32 C ATOM 1113 CD1 LEU A 70 -6.970 -5.759 4.003 1.00 44.02 C ATOM 1114 CD2 LEU A 70 -5.941 -3.882 2.676 1.00 53.51 C ATOM 0 H LEU A 70 -2.889 -6.155 3.902 1.00 60.10 H new ATOM 0 HA LEU A 70 -3.525 -3.397 3.640 1.00 13.42 H new ATOM 0 HB2 LEU A 70 -4.640 -5.649 5.348 1.00 33.42 H new ATOM 0 HB3 LEU A 70 -5.318 -4.033 5.360 1.00 33.42 H new ATOM 0 HG LEU A 70 -5.130 -5.841 2.925 1.00 40.32 H new ATOM 0 HD11 LEU A 70 -7.582 -6.008 3.136 1.00 44.02 H new ATOM 0 HD12 LEU A 70 -6.748 -6.667 4.564 1.00 44.02 H new ATOM 0 HD13 LEU A 70 -7.512 -5.061 4.641 1.00 44.02 H new ATOM 0 HD21 LEU A 70 -6.568 -4.162 1.829 1.00 53.51 H new ATOM 0 HD22 LEU A 70 -6.453 -3.128 3.273 1.00 53.51 H new ATOM 0 HD23 LEU A 70 -4.998 -3.476 2.310 1.00 53.51 H new ATOM 1126 N ASN A 71 -2.070 -4.321 6.452 1.00 14.34 N ATOM 1127 CA ASN A 71 -1.402 -3.806 7.655 1.00 65.43 C ATOM 1128 C ASN A 71 -0.282 -2.820 7.292 1.00 22.14 C ATOM 1129 O ASN A 71 -0.267 -1.681 7.767 1.00 61.42 O ATOM 1130 CB ASN A 71 -0.830 -4.960 8.495 1.00 5.45 C ATOM 1131 CG ASN A 71 -1.909 -5.784 9.177 1.00 51.31 C ATOM 1132 OD1 ASN A 71 -2.970 -5.279 9.525 1.00 21.23 O ATOM 1133 ND2 ASN A 71 -1.643 -7.057 9.390 1.00 21.22 N ATOM 0 H ASN A 71 -1.944 -5.321 6.296 1.00 14.34 H new ATOM 0 HA ASN A 71 -2.150 -3.275 8.244 1.00 65.43 H new ATOM 0 HB2 ASN A 71 -0.234 -5.610 7.854 1.00 5.45 H new ATOM 0 HB3 ASN A 71 -0.157 -4.554 9.251 1.00 5.45 H new ATOM 0 HD21 ASN A 71 -2.329 -7.650 9.856 1.00 21.22 H new ATOM 0 HD22 ASN A 71 -0.751 -7.449 9.089 1.00 21.22 H new ATOM 1140 N GLN A 72 0.639 -3.251 6.431 1.00 25.15 N ATOM 1141 CA GLN A 72 1.749 -2.394 5.998 1.00 21.44 C ATOM 1142 C GLN A 72 1.236 -1.154 5.243 1.00 31.04 C ATOM 1143 O GLN A 72 1.756 -0.051 5.422 1.00 41.54 O ATOM 1144 CB GLN A 72 2.744 -3.193 5.138 1.00 43.30 C ATOM 1145 CG GLN A 72 2.121 -3.848 3.909 1.00 10.31 C ATOM 1146 CD GLN A 72 3.090 -4.738 3.140 1.00 73.21 C ATOM 1147 OE1 GLN A 72 2.985 -4.884 1.930 1.00 41.13 O ATOM 1148 NE2 GLN A 72 4.033 -5.349 3.832 1.00 14.31 N ATOM 0 H GLN A 72 0.641 -4.184 6.019 1.00 25.15 H new ATOM 0 HA GLN A 72 2.271 -2.043 6.888 1.00 21.44 H new ATOM 0 HB2 GLN A 72 3.544 -2.527 4.815 1.00 43.30 H new ATOM 0 HB3 GLN A 72 3.202 -3.966 5.755 1.00 43.30 H new ATOM 0 HG2 GLN A 72 1.262 -4.443 4.220 1.00 10.31 H new ATOM 0 HG3 GLN A 72 1.747 -3.071 3.243 1.00 10.31 H new ATOM 0 HE21 GLN A 72 4.097 -5.209 4.840 1.00 14.31 H new ATOM 0 HE22 GLN A 72 4.698 -5.961 3.359 1.00 14.31 H new ATOM 1157 N ALA A 73 0.202 -1.336 4.412 1.00 64.42 N ATOM 1158 CA ALA A 73 -0.437 -0.213 3.715 1.00 64.13 C ATOM 1159 C ALA A 73 -0.969 0.827 4.712 1.00 53.33 C ATOM 1160 O ALA A 73 -0.741 2.028 4.557 1.00 35.23 O ATOM 1161 CB ALA A 73 -1.567 -0.708 2.815 1.00 11.52 C ATOM 0 H ALA A 73 -0.209 -2.247 4.206 1.00 64.42 H new ATOM 0 HA ALA A 73 0.320 0.266 3.094 1.00 64.13 H new ATOM 0 HB1 ALA A 73 -2.027 0.140 2.308 1.00 11.52 H new ATOM 0 HB2 ALA A 73 -1.166 -1.399 2.074 1.00 11.52 H new ATOM 0 HB3 ALA A 73 -2.316 -1.219 3.420 1.00 11.52 H new ATOM 1167 N THR A 74 -1.677 0.353 5.738 1.00 75.35 N ATOM 1168 CA THR A 74 -2.181 1.227 6.808 1.00 72.52 C ATOM 1169 C THR A 74 -1.037 1.988 7.490 1.00 63.11 C ATOM 1170 O THR A 74 -1.142 3.189 7.747 1.00 3.25 O ATOM 1171 CB THR A 74 -2.968 0.428 7.881 1.00 63.32 C ATOM 1172 OG1 THR A 74 -4.103 -0.213 7.282 1.00 54.44 O ATOM 1173 CG2 THR A 74 -3.446 1.332 9.016 1.00 31.15 C ATOM 0 H THR A 74 -1.917 -0.632 5.854 1.00 75.35 H new ATOM 0 HA THR A 74 -2.856 1.939 6.334 1.00 72.52 H new ATOM 0 HB THR A 74 -2.292 -0.319 8.296 1.00 63.32 H new ATOM 0 HG1 THR A 74 -3.803 -0.982 6.753 1.00 54.44 H new ATOM 0 HG21 THR A 74 -3.993 0.738 9.748 1.00 31.15 H new ATOM 0 HG22 THR A 74 -2.586 1.798 9.496 1.00 31.15 H new ATOM 0 HG23 THR A 74 -4.101 2.105 8.614 1.00 31.15 H new ATOM 1181 N GLU A 75 0.062 1.287 7.773 1.00 40.15 N ATOM 1182 CA GLU A 75 1.240 1.918 8.381 1.00 55.40 C ATOM 1183 C GLU A 75 1.820 3.020 7.479 1.00 41.10 C ATOM 1184 O GLU A 75 2.282 4.053 7.970 1.00 25.13 O ATOM 1185 CB GLU A 75 2.321 0.874 8.693 1.00 23.52 C ATOM 1186 CG GLU A 75 1.889 -0.174 9.713 1.00 2.25 C ATOM 1187 CD GLU A 75 3.041 -1.043 10.194 1.00 13.43 C ATOM 1188 OE1 GLU A 75 3.697 -0.667 11.185 1.00 1.33 O ATOM 1189 OE2 GLU A 75 3.296 -2.108 9.589 1.00 65.44 O ATOM 0 H GLU A 75 0.163 0.288 7.593 1.00 40.15 H new ATOM 0 HA GLU A 75 0.914 2.378 9.314 1.00 55.40 H new ATOM 0 HB2 GLU A 75 2.605 0.372 7.768 1.00 23.52 H new ATOM 0 HB3 GLU A 75 3.209 1.385 9.065 1.00 23.52 H new ATOM 0 HG2 GLU A 75 1.435 0.325 10.569 1.00 2.25 H new ATOM 0 HG3 GLU A 75 1.122 -0.809 9.271 1.00 2.25 H new ATOM 1196 N VAL A 76 1.796 2.794 6.162 1.00 63.15 N ATOM 1197 CA VAL A 76 2.225 3.812 5.192 1.00 75.12 C ATOM 1198 C VAL A 76 1.301 5.039 5.234 1.00 63.53 C ATOM 1199 O VAL A 76 1.767 6.178 5.257 1.00 4.31 O ATOM 1200 CB VAL A 76 2.262 3.255 3.744 1.00 61.51 C ATOM 1201 CG1 VAL A 76 2.646 4.353 2.752 1.00 14.24 C ATOM 1202 CG2 VAL A 76 3.228 2.073 3.638 1.00 43.00 C ATOM 0 H VAL A 76 1.485 1.918 5.742 1.00 63.15 H new ATOM 0 HA VAL A 76 3.235 4.106 5.478 1.00 75.12 H new ATOM 0 HB VAL A 76 1.262 2.900 3.494 1.00 61.51 H new ATOM 0 HG11 VAL A 76 2.666 3.941 1.743 1.00 14.24 H new ATOM 0 HG12 VAL A 76 1.914 5.159 2.800 1.00 14.24 H new ATOM 0 HG13 VAL A 76 3.632 4.743 3.004 1.00 14.24 H new ATOM 0 HG21 VAL A 76 3.236 1.700 2.614 1.00 43.00 H new ATOM 0 HG22 VAL A 76 4.231 2.397 3.914 1.00 43.00 H new ATOM 0 HG23 VAL A 76 2.906 1.278 4.311 1.00 43.00 H new ATOM 1212 N ILE A 77 -0.009 4.791 5.250 1.00 22.02 N ATOM 1213 CA ILE A 77 -1.007 5.865 5.337 1.00 72.21 C ATOM 1214 C ILE A 77 -0.812 6.710 6.610 1.00 41.50 C ATOM 1215 O ILE A 77 -0.764 7.942 6.555 1.00 41.11 O ATOM 1216 CB ILE A 77 -2.450 5.290 5.313 1.00 65.24 C ATOM 1217 CG1 ILE A 77 -2.708 4.551 3.985 1.00 34.40 C ATOM 1218 CG2 ILE A 77 -3.485 6.398 5.529 1.00 23.52 C ATOM 1219 CD1 ILE A 77 -4.078 3.909 3.893 1.00 34.31 C ATOM 0 H ILE A 77 -0.408 3.853 5.204 1.00 22.02 H new ATOM 0 HA ILE A 77 -0.865 6.505 4.466 1.00 72.21 H new ATOM 0 HB ILE A 77 -2.549 4.577 6.131 1.00 65.24 H new ATOM 0 HG12 ILE A 77 -2.592 5.255 3.161 1.00 34.40 H new ATOM 0 HG13 ILE A 77 -1.948 3.781 3.856 1.00 34.40 H new ATOM 0 HG21 ILE A 77 -4.487 5.969 5.508 1.00 23.52 H new ATOM 0 HG22 ILE A 77 -3.314 6.873 6.495 1.00 23.52 H new ATOM 0 HG23 ILE A 77 -3.392 7.142 4.738 1.00 23.52 H new ATOM 0 HD11 ILE A 77 -4.182 3.409 2.930 1.00 34.31 H new ATOM 0 HD12 ILE A 77 -4.192 3.179 4.694 1.00 34.31 H new ATOM 0 HD13 ILE A 77 -4.846 4.676 3.988 1.00 34.31 H new ATOM 1231 N ASN A 78 -0.689 6.036 7.751 1.00 0.41 N ATOM 1232 CA ASN A 78 -0.460 6.714 9.032 1.00 65.13 C ATOM 1233 C ASN A 78 0.895 7.444 9.052 1.00 51.42 C ATOM 1234 O ASN A 78 1.012 8.537 9.607 1.00 63.43 O ATOM 1235 CB ASN A 78 -0.532 5.705 10.183 1.00 12.44 C ATOM 1236 CG ASN A 78 -1.917 5.102 10.343 1.00 3.41 C ATOM 1237 OD1 ASN A 78 -2.926 5.745 10.068 1.00 71.52 O ATOM 1238 ND2 ASN A 78 -1.983 3.870 10.804 1.00 1.32 N ATOM 0 H ASN A 78 -0.744 5.020 7.818 1.00 0.41 H new ATOM 0 HA ASN A 78 -1.243 7.461 9.158 1.00 65.13 H new ATOM 0 HB2 ASN A 78 0.190 4.907 10.008 1.00 12.44 H new ATOM 0 HB3 ASN A 78 -0.244 6.197 11.112 1.00 12.44 H new ATOM 0 HD21 ASN A 78 -2.890 3.425 10.941 1.00 1.32 H new ATOM 0 HD22 ASN A 78 -1.127 3.361 11.024 1.00 1.32 H new ATOM 1245 N PHE A 79 1.911 6.834 8.443 1.00 74.04 N ATOM 1246 CA PHE A 79 3.238 7.454 8.330 1.00 2.11 C ATOM 1247 C PHE A 79 3.159 8.758 7.518 1.00 73.52 C ATOM 1248 O PHE A 79 3.613 9.812 7.965 1.00 73.14 O ATOM 1249 CB PHE A 79 4.212 6.465 7.669 1.00 74.33 C ATOM 1250 CG PHE A 79 5.645 6.937 7.613 1.00 25.34 C ATOM 1251 CD1 PHE A 79 6.392 7.067 8.775 1.00 40.51 C ATOM 1252 CD2 PHE A 79 6.247 7.244 6.398 1.00 72.41 C ATOM 1253 CE1 PHE A 79 7.704 7.493 8.728 1.00 63.35 C ATOM 1254 CE2 PHE A 79 7.562 7.669 6.347 1.00 74.13 C ATOM 1255 CZ PHE A 79 8.290 7.793 7.514 1.00 11.04 C ATOM 0 H PHE A 79 1.844 5.909 8.018 1.00 74.04 H new ATOM 0 HA PHE A 79 3.602 7.700 9.328 1.00 2.11 H new ATOM 0 HB2 PHE A 79 4.175 5.521 8.213 1.00 74.33 H new ATOM 0 HB3 PHE A 79 3.870 6.262 6.654 1.00 74.33 H new ATOM 0 HD1 PHE A 79 5.941 6.832 9.728 1.00 40.51 H new ATOM 0 HD2 PHE A 79 5.681 7.149 5.483 1.00 72.41 H new ATOM 0 HE1 PHE A 79 8.273 7.592 9.641 1.00 63.35 H new ATOM 0 HE2 PHE A 79 8.019 7.903 5.397 1.00 74.13 H new ATOM 0 HZ PHE A 79 9.317 8.124 7.477 1.00 11.04 H new ATOM 1265 N TRP A 80 2.559 8.669 6.334 1.00 12.33 N ATOM 1266 CA TRP A 80 2.318 9.833 5.472 1.00 52.12 C ATOM 1267 C TRP A 80 1.550 10.935 6.222 1.00 34.12 C ATOM 1268 O TRP A 80 1.869 12.122 6.110 1.00 51.13 O ATOM 1269 CB TRP A 80 1.528 9.384 4.233 1.00 60.20 C ATOM 1270 CG TRP A 80 1.086 10.500 3.323 1.00 62.12 C ATOM 1271 CD1 TRP A 80 1.798 11.068 2.305 1.00 63.23 C ATOM 1272 CD2 TRP A 80 -0.184 11.169 3.342 1.00 40.04 C ATOM 1273 NE1 TRP A 80 1.048 12.043 1.692 1.00 41.34 N ATOM 1274 CE2 TRP A 80 -0.170 12.125 2.311 1.00 33.00 C ATOM 1275 CE3 TRP A 80 -1.331 11.051 4.132 1.00 22.33 C ATOM 1276 CZ2 TRP A 80 -1.257 12.956 2.047 1.00 31.45 C ATOM 1277 CZ3 TRP A 80 -2.409 11.878 3.871 1.00 43.24 C ATOM 1278 CH2 TRP A 80 -2.366 12.818 2.835 1.00 34.33 C ATOM 0 H TRP A 80 2.224 7.789 5.941 1.00 12.33 H new ATOM 0 HA TRP A 80 3.278 10.250 5.169 1.00 52.12 H new ATOM 0 HB2 TRP A 80 2.143 8.690 3.660 1.00 60.20 H new ATOM 0 HB3 TRP A 80 0.647 8.833 4.562 1.00 60.20 H new ATOM 0 HD1 TRP A 80 2.803 10.791 2.023 1.00 63.23 H new ATOM 0 HE1 TRP A 80 1.350 12.614 0.903 1.00 41.34 H new ATOM 0 HE3 TRP A 80 -1.375 10.327 4.932 1.00 22.33 H new ATOM 0 HZ2 TRP A 80 -1.225 13.683 1.249 1.00 31.45 H new ATOM 0 HZ3 TRP A 80 -3.299 11.797 4.477 1.00 43.24 H new ATOM 0 HH2 TRP A 80 -3.225 13.447 2.654 1.00 34.33 H new ATOM 1289 N GLN A 81 0.540 10.529 6.989 1.00 43.51 N ATOM 1290 CA GLN A 81 -0.284 11.472 7.749 1.00 13.25 C ATOM 1291 C GLN A 81 0.523 12.134 8.883 1.00 51.34 C ATOM 1292 O GLN A 81 0.358 13.324 9.161 1.00 11.02 O ATOM 1293 CB GLN A 81 -1.522 10.754 8.311 1.00 62.32 C ATOM 1294 CG GLN A 81 -2.600 11.698 8.834 1.00 62.11 C ATOM 1295 CD GLN A 81 -3.853 10.966 9.288 1.00 53.20 C ATOM 1296 OE1 GLN A 81 -4.177 9.888 8.799 1.00 21.33 O ATOM 1297 NE2 GLN A 81 -4.581 11.558 10.211 1.00 43.02 N ATOM 0 H GLN A 81 0.271 9.552 7.102 1.00 43.51 H new ATOM 0 HA GLN A 81 -0.610 12.263 7.073 1.00 13.25 H new ATOM 0 HB2 GLN A 81 -1.951 10.126 7.530 1.00 62.32 H new ATOM 0 HB3 GLN A 81 -1.210 10.091 9.118 1.00 62.32 H new ATOM 0 HG2 GLN A 81 -2.199 12.274 9.668 1.00 62.11 H new ATOM 0 HG3 GLN A 81 -2.864 12.410 8.052 1.00 62.11 H new ATOM 0 HE21 GLN A 81 -4.284 12.454 10.598 1.00 43.02 H new ATOM 0 HE22 GLN A 81 -5.442 11.121 10.540 1.00 43.02 H new ATOM 1306 N ASP A 82 1.404 11.360 9.521 1.00 32.35 N ATOM 1307 CA ASP A 82 2.296 11.891 10.560 1.00 4.24 C ATOM 1308 C ASP A 82 3.207 12.991 9.988 1.00 20.32 C ATOM 1309 O ASP A 82 3.354 14.072 10.571 1.00 11.33 O ATOM 1310 CB ASP A 82 3.146 10.761 11.157 1.00 24.45 C ATOM 1311 CG ASP A 82 4.040 11.243 12.289 1.00 11.52 C ATOM 1312 OD1 ASP A 82 3.537 11.391 13.423 1.00 73.22 O ATOM 1313 OD2 ASP A 82 5.241 11.496 12.050 1.00 32.41 O ATOM 0 H ASP A 82 1.520 10.363 9.338 1.00 32.35 H new ATOM 0 HA ASP A 82 1.682 12.328 11.347 1.00 4.24 H new ATOM 0 HB2 ASP A 82 2.490 9.973 11.526 1.00 24.45 H new ATOM 0 HB3 ASP A 82 3.763 10.321 10.373 1.00 24.45 H new ATOM 1318 N LEU A 83 3.811 12.704 8.837 1.00 72.52 N ATOM 1319 CA LEU A 83 4.670 13.674 8.153 1.00 12.33 C ATOM 1320 C LEU A 83 3.855 14.893 7.698 1.00 32.23 C ATOM 1321 O LEU A 83 4.326 16.027 7.754 1.00 20.33 O ATOM 1322 CB LEU A 83 5.358 13.023 6.945 1.00 61.31 C ATOM 1323 CG LEU A 83 6.019 11.661 7.215 1.00 71.44 C ATOM 1324 CD1 LEU A 83 6.796 11.187 5.991 1.00 33.52 C ATOM 1325 CD2 LEU A 83 6.918 11.718 8.449 1.00 51.54 C ATOM 0 H LEU A 83 3.723 11.808 8.357 1.00 72.52 H new ATOM 0 HA LEU A 83 5.433 14.007 8.856 1.00 12.33 H new ATOM 0 HB2 LEU A 83 4.620 12.899 6.152 1.00 61.31 H new ATOM 0 HB3 LEU A 83 6.118 13.708 6.569 1.00 61.31 H new ATOM 0 HG LEU A 83 5.229 10.937 7.416 1.00 71.44 H new ATOM 0 HD11 LEU A 83 7.256 10.222 6.203 1.00 33.52 H new ATOM 0 HD12 LEU A 83 6.116 11.087 5.145 1.00 33.52 H new ATOM 0 HD13 LEU A 83 7.572 11.913 5.749 1.00 33.52 H new ATOM 0 HD21 LEU A 83 7.371 10.741 8.614 1.00 51.54 H new ATOM 0 HD22 LEU A 83 7.702 12.460 8.294 1.00 51.54 H new ATOM 0 HD23 LEU A 83 6.323 11.994 9.320 1.00 51.54 H new ATOM 1337 N LYS A 84 2.624 14.636 7.258 1.00 15.10 N ATOM 1338 CA LYS A 84 1.696 15.689 6.827 1.00 73.51 C ATOM 1339 C LYS A 84 1.429 16.703 7.952 1.00 74.04 C ATOM 1340 O LYS A 84 1.447 17.917 7.731 1.00 35.22 O ATOM 1341 CB LYS A 84 0.371 15.049 6.374 1.00 32.02 C ATOM 1342 CG LYS A 84 -0.653 16.043 5.826 1.00 21.20 C ATOM 1343 CD LYS A 84 -0.156 16.732 4.558 1.00 72.50 C ATOM 1344 CE LYS A 84 0.147 15.733 3.447 1.00 54.33 C ATOM 1345 NZ LYS A 84 0.658 16.398 2.221 1.00 43.13 N ATOM 0 H LYS A 84 2.239 13.694 7.189 1.00 15.10 H new ATOM 0 HA LYS A 84 2.153 16.227 5.997 1.00 73.51 H new ATOM 0 HB2 LYS A 84 0.584 14.305 5.607 1.00 32.02 H new ATOM 0 HB3 LYS A 84 -0.070 14.519 7.218 1.00 32.02 H new ATOM 0 HG2 LYS A 84 -1.587 15.522 5.614 1.00 21.20 H new ATOM 0 HG3 LYS A 84 -0.872 16.794 6.585 1.00 21.20 H new ATOM 0 HD2 LYS A 84 -0.908 17.442 4.212 1.00 72.50 H new ATOM 0 HD3 LYS A 84 0.743 17.305 4.785 1.00 72.50 H new ATOM 0 HE2 LYS A 84 0.883 15.011 3.800 1.00 54.33 H new ATOM 0 HE3 LYS A 84 -0.757 15.175 3.206 1.00 54.33 H new ATOM 0 HZ1 LYS A 84 0.770 15.693 1.465 1.00 43.13 H new ATOM 0 HZ2 LYS A 84 -0.016 17.129 1.916 1.00 43.13 H new ATOM 0 HZ3 LYS A 84 1.578 16.839 2.423 1.00 43.13 H new ATOM 1359 N ASN A 85 1.182 16.193 9.155 1.00 43.40 N ATOM 1360 CA ASN A 85 0.910 17.040 10.324 1.00 75.20 C ATOM 1361 C ASN A 85 2.139 17.876 10.721 1.00 62.43 C ATOM 1362 O ASN A 85 2.016 19.043 11.103 1.00 42.04 O ATOM 1363 CB ASN A 85 0.493 16.170 11.517 1.00 22.11 C ATOM 1364 CG ASN A 85 -0.768 15.365 11.258 1.00 14.14 C ATOM 1365 OD1 ASN A 85 -1.654 15.784 10.518 1.00 21.41 O ATOM 1366 ND2 ASN A 85 -0.861 14.199 11.867 1.00 43.23 N ATOM 0 H ASN A 85 1.163 15.192 9.352 1.00 43.40 H new ATOM 0 HA ASN A 85 0.103 17.720 10.052 1.00 75.20 H new ATOM 0 HB2 ASN A 85 1.307 15.489 11.764 1.00 22.11 H new ATOM 0 HB3 ASN A 85 0.337 16.808 12.387 1.00 22.11 H new ATOM 0 HD21 ASN A 85 -1.687 13.616 11.730 1.00 43.23 H new ATOM 0 HD22 ASN A 85 -0.107 13.880 12.475 1.00 43.23 H new ATOM 1373 N GLN A 86 3.319 17.268 10.633 1.00 24.21 N ATOM 1374 CA GLN A 86 4.557 17.893 11.119 1.00 21.45 C ATOM 1375 C GLN A 86 5.429 18.461 9.986 1.00 60.30 C ATOM 1376 O GLN A 86 6.505 19.002 10.245 1.00 10.20 O ATOM 1377 CB GLN A 86 5.340 16.867 11.936 1.00 42.44 C ATOM 1378 CG GLN A 86 4.589 16.400 13.178 1.00 33.01 C ATOM 1379 CD GLN A 86 5.209 15.171 13.809 1.00 64.22 C ATOM 1380 OE1 GLN A 86 6.065 15.262 14.684 1.00 12.43 O ATOM 1381 NE2 GLN A 86 4.795 14.009 13.351 1.00 54.23 N ATOM 0 H GLN A 86 3.449 16.340 10.229 1.00 24.21 H new ATOM 0 HA GLN A 86 4.280 18.744 11.741 1.00 21.45 H new ATOM 0 HB2 GLN A 86 5.565 16.005 11.308 1.00 42.44 H new ATOM 0 HB3 GLN A 86 6.294 17.300 12.236 1.00 42.44 H new ATOM 0 HG2 GLN A 86 4.568 17.208 13.910 1.00 33.01 H new ATOM 0 HG3 GLN A 86 3.554 16.184 12.912 1.00 33.01 H new ATOM 0 HE21 GLN A 86 4.082 13.973 12.623 1.00 54.23 H new ATOM 0 HE22 GLN A 86 5.188 13.145 13.724 1.00 54.23 H new ATOM 1390 N ASN A 87 4.960 18.342 8.740 1.00 12.13 N ATOM 1391 CA ASN A 87 5.663 18.899 7.570 1.00 34.12 C ATOM 1392 C ASN A 87 7.085 18.323 7.425 1.00 1.21 C ATOM 1393 O ASN A 87 8.012 19.006 6.983 1.00 65.24 O ATOM 1394 CB ASN A 87 5.699 20.430 7.670 1.00 62.31 C ATOM 1395 CG ASN A 87 4.301 21.022 7.744 1.00 62.33 C ATOM 1396 OD1 ASN A 87 3.707 21.375 6.734 1.00 30.12 O ATOM 1397 ND2 ASN A 87 3.758 21.126 8.941 1.00 62.51 N ATOM 0 H ASN A 87 4.090 17.862 8.510 1.00 12.13 H new ATOM 0 HA ASN A 87 5.113 18.611 6.674 1.00 34.12 H new ATOM 0 HB2 ASN A 87 6.266 20.724 8.554 1.00 62.31 H new ATOM 0 HB3 ASN A 87 6.222 20.839 6.805 1.00 62.31 H new ATOM 0 HD21 ASN A 87 2.818 21.509 9.043 1.00 62.51 H new ATOM 0 HD22 ASN A 87 4.278 20.823 9.765 1.00 62.51 H new ATOM 1404 N LYS A 88 7.235 17.047 7.768 1.00 5.23 N ATOM 1405 CA LYS A 88 8.534 16.369 7.695 1.00 23.32 C ATOM 1406 C LYS A 88 8.940 16.054 6.245 1.00 1.32 C ATOM 1407 O LYS A 88 8.516 15.048 5.673 1.00 22.54 O ATOM 1408 CB LYS A 88 8.505 15.065 8.501 1.00 23.41 C ATOM 1409 CG LYS A 88 8.282 15.250 9.999 1.00 1.13 C ATOM 1410 CD LYS A 88 8.166 13.903 10.706 1.00 3.15 C ATOM 1411 CE LYS A 88 7.937 14.050 12.199 1.00 53.52 C ATOM 1412 NZ LYS A 88 7.694 12.736 12.848 1.00 24.45 N ATOM 0 H LYS A 88 6.473 16.456 8.101 1.00 5.23 H new ATOM 0 HA LYS A 88 9.271 17.052 8.118 1.00 23.32 H new ATOM 0 HB2 LYS A 88 7.715 14.426 8.105 1.00 23.41 H new ATOM 0 HB3 LYS A 88 9.447 14.538 8.349 1.00 23.41 H new ATOM 0 HG2 LYS A 88 9.108 15.818 10.426 1.00 1.13 H new ATOM 0 HG3 LYS A 88 7.375 15.831 10.166 1.00 1.13 H new ATOM 0 HD2 LYS A 88 7.344 13.336 10.269 1.00 3.15 H new ATOM 0 HD3 LYS A 88 9.076 13.327 10.536 1.00 3.15 H new ATOM 0 HE2 LYS A 88 8.805 14.527 12.655 1.00 53.52 H new ATOM 0 HE3 LYS A 88 7.084 14.706 12.374 1.00 53.52 H new ATOM 0 HZ1 LYS A 88 7.660 12.860 13.880 1.00 24.45 H new ATOM 0 HZ2 LYS A 88 6.789 12.347 12.516 1.00 24.45 H new ATOM 0 HZ3 LYS A 88 8.463 12.080 12.603 1.00 24.45 H new ATOM 1426 N GLN A 89 9.753 16.920 5.646 1.00 4.54 N ATOM 1427 CA GLN A 89 10.295 16.661 4.309 1.00 24.13 C ATOM 1428 C GLN A 89 11.520 15.736 4.401 1.00 43.42 C ATOM 1429 O GLN A 89 12.665 16.187 4.325 1.00 71.21 O ATOM 1430 CB GLN A 89 10.669 17.980 3.617 1.00 12.44 C ATOM 1431 CG GLN A 89 9.509 18.964 3.499 1.00 31.42 C ATOM 1432 CD GLN A 89 9.897 20.247 2.783 1.00 31.21 C ATOM 1433 OE1 GLN A 89 10.759 20.255 1.911 1.00 42.33 O ATOM 1434 NE2 GLN A 89 9.270 21.341 3.152 1.00 64.32 N ATOM 0 H GLN A 89 10.052 17.803 6.060 1.00 4.54 H new ATOM 0 HA GLN A 89 9.529 16.165 3.713 1.00 24.13 H new ATOM 0 HB2 GLN A 89 11.480 18.453 4.171 1.00 12.44 H new ATOM 0 HB3 GLN A 89 11.050 17.761 2.620 1.00 12.44 H new ATOM 0 HG2 GLN A 89 8.688 18.488 2.963 1.00 31.42 H new ATOM 0 HG3 GLN A 89 9.141 19.206 4.496 1.00 31.42 H new ATOM 0 HE21 GLN A 89 8.558 21.299 3.881 1.00 64.32 H new ATOM 0 HE22 GLN A 89 9.495 22.232 2.710 1.00 64.32 H new ATOM 1443 N ILE A 90 11.271 14.444 4.597 1.00 11.24 N ATOM 1444 CA ILE A 90 12.349 13.466 4.782 1.00 44.40 C ATOM 1445 C ILE A 90 12.862 12.891 3.454 1.00 62.44 C ATOM 1446 O ILE A 90 12.360 13.214 2.374 1.00 21.10 O ATOM 1447 CB ILE A 90 11.897 12.294 5.690 1.00 70.20 C ATOM 1448 CG1 ILE A 90 10.710 11.541 5.062 1.00 1.14 C ATOM 1449 CG2 ILE A 90 11.544 12.805 7.085 1.00 13.05 C ATOM 1450 CD1 ILE A 90 10.306 10.294 5.822 1.00 33.43 C ATOM 0 H ILE A 90 10.333 14.046 4.632 1.00 11.24 H new ATOM 0 HA ILE A 90 13.163 14.012 5.259 1.00 44.40 H new ATOM 0 HB ILE A 90 12.726 11.592 5.784 1.00 70.20 H new ATOM 0 HG12 ILE A 90 9.854 12.214 5.005 1.00 1.14 H new ATOM 0 HG13 ILE A 90 10.967 11.265 4.039 1.00 1.14 H new ATOM 0 HG21 ILE A 90 11.229 11.969 7.710 1.00 13.05 H new ATOM 0 HG22 ILE A 90 12.418 13.281 7.530 1.00 13.05 H new ATOM 0 HG23 ILE A 90 10.733 13.530 7.013 1.00 13.05 H new ATOM 0 HD11 ILE A 90 9.464 9.818 5.319 1.00 33.43 H new ATOM 0 HD12 ILE A 90 11.147 9.601 5.857 1.00 33.43 H new ATOM 0 HD13 ILE A 90 10.016 10.565 6.837 1.00 33.43 H new ATOM 1462 N SER A 91 13.869 12.030 3.551 1.00 2.35 N ATOM 1463 CA SER A 91 14.439 11.354 2.380 1.00 34.04 C ATOM 1464 C SER A 91 13.684 10.051 2.082 1.00 13.12 C ATOM 1465 O SER A 91 13.380 9.287 2.998 1.00 75.45 O ATOM 1466 CB SER A 91 15.925 11.054 2.626 1.00 33.05 C ATOM 1467 OG SER A 91 16.647 12.239 2.935 1.00 54.50 O ATOM 0 H SER A 91 14.314 11.779 4.434 1.00 2.35 H new ATOM 0 HA SER A 91 14.340 12.013 1.517 1.00 34.04 H new ATOM 0 HB2 SER A 91 16.024 10.342 3.445 1.00 33.05 H new ATOM 0 HB3 SER A 91 16.355 10.584 1.741 1.00 33.05 H new ATOM 0 HG SER A 91 17.589 12.017 3.088 1.00 54.50 H new ATOM 1473 N MET A 92 13.387 9.787 0.805 1.00 42.25 N ATOM 1474 CA MET A 92 12.665 8.560 0.422 1.00 33.04 C ATOM 1475 C MET A 92 13.424 7.297 0.875 1.00 14.20 C ATOM 1476 O MET A 92 12.831 6.229 1.047 1.00 30.42 O ATOM 1477 CB MET A 92 12.395 8.518 -1.096 1.00 64.42 C ATOM 1478 CG MET A 92 13.643 8.479 -1.968 1.00 30.54 C ATOM 1479 SD MET A 92 13.255 8.414 -3.735 1.00 24.43 S ATOM 1480 CE MET A 92 12.356 6.863 -3.846 1.00 5.40 C ATOM 0 H MET A 92 13.630 10.396 0.024 1.00 42.25 H new ATOM 0 HA MET A 92 11.703 8.577 0.935 1.00 33.04 H new ATOM 0 HB2 MET A 92 11.787 7.641 -1.318 1.00 64.42 H new ATOM 0 HB3 MET A 92 11.805 9.393 -1.370 1.00 64.42 H new ATOM 0 HG2 MET A 92 14.251 9.361 -1.765 1.00 30.54 H new ATOM 0 HG3 MET A 92 14.243 7.609 -1.699 1.00 30.54 H new ATOM 0 HE1 MET A 92 12.661 6.329 -4.746 1.00 5.40 H new ATOM 0 HE2 MET A 92 12.575 6.252 -2.970 1.00 5.40 H new ATOM 0 HE3 MET A 92 11.286 7.065 -3.889 1.00 5.40 H new ATOM 1490 N ALA A 93 14.735 7.433 1.076 1.00 13.42 N ATOM 1491 CA ALA A 93 15.554 6.355 1.640 1.00 3.53 C ATOM 1492 C ALA A 93 15.055 5.940 3.038 1.00 2.13 C ATOM 1493 O ALA A 93 15.073 4.759 3.391 1.00 52.30 O ATOM 1494 CB ALA A 93 17.014 6.784 1.706 1.00 22.13 C ATOM 0 H ALA A 93 15.256 8.282 0.856 1.00 13.42 H new ATOM 0 HA ALA A 93 15.466 5.489 0.984 1.00 3.53 H new ATOM 0 HB1 ALA A 93 17.612 5.976 2.126 1.00 22.13 H new ATOM 0 HB2 ALA A 93 17.371 7.015 0.702 1.00 22.13 H new ATOM 0 HB3 ALA A 93 17.105 7.668 2.336 1.00 22.13 H new ATOM 1500 N GLU A 94 14.607 6.919 3.828 1.00 75.12 N ATOM 1501 CA GLU A 94 14.033 6.652 5.155 1.00 62.20 C ATOM 1502 C GLU A 94 12.773 5.781 5.041 1.00 62.21 C ATOM 1503 O GLU A 94 12.607 4.805 5.771 1.00 44.12 O ATOM 1504 CB GLU A 94 13.701 7.971 5.868 1.00 30.25 C ATOM 1505 CG GLU A 94 14.923 8.832 6.166 1.00 51.43 C ATOM 1506 CD GLU A 94 14.568 10.166 6.804 1.00 32.14 C ATOM 1507 OE1 GLU A 94 13.899 10.166 7.860 1.00 55.34 O ATOM 1508 OE2 GLU A 94 14.971 11.217 6.256 1.00 4.55 O ATOM 0 H GLU A 94 14.630 7.907 3.574 1.00 75.12 H new ATOM 0 HA GLU A 94 14.774 6.109 5.742 1.00 62.20 H new ATOM 0 HB2 GLU A 94 13.007 8.542 5.251 1.00 30.25 H new ATOM 0 HB3 GLU A 94 13.188 7.749 6.803 1.00 30.25 H new ATOM 0 HG2 GLU A 94 15.593 8.285 6.829 1.00 51.43 H new ATOM 0 HG3 GLU A 94 15.468 9.012 5.240 1.00 51.43 H new ATOM 1515 N ALA A 95 11.893 6.141 4.104 1.00 4.52 N ATOM 1516 CA ALA A 95 10.686 5.353 3.829 1.00 1.53 C ATOM 1517 C ALA A 95 11.036 3.910 3.418 1.00 64.42 C ATOM 1518 O ALA A 95 10.333 2.962 3.769 1.00 31.30 O ATOM 1519 CB ALA A 95 9.858 6.030 2.741 1.00 13.33 C ATOM 0 H ALA A 95 11.992 6.973 3.522 1.00 4.52 H new ATOM 0 HA ALA A 95 10.099 5.302 4.746 1.00 1.53 H new ATOM 0 HB1 ALA A 95 8.964 5.439 2.543 1.00 13.33 H new ATOM 0 HB2 ALA A 95 9.568 7.027 3.072 1.00 13.33 H new ATOM 0 HB3 ALA A 95 10.450 6.109 1.829 1.00 13.33 H new ATOM 1525 N GLN A 96 12.131 3.757 2.668 1.00 14.00 N ATOM 1526 CA GLN A 96 12.632 2.434 2.265 1.00 53.01 C ATOM 1527 C GLN A 96 13.190 1.652 3.466 1.00 62.05 C ATOM 1528 O GLN A 96 13.027 0.436 3.556 1.00 40.25 O ATOM 1529 CB GLN A 96 13.711 2.587 1.179 1.00 12.11 C ATOM 1530 CG GLN A 96 13.167 3.072 -0.162 1.00 1.24 C ATOM 1531 CD GLN A 96 12.265 2.044 -0.826 1.00 73.21 C ATOM 1532 OE1 GLN A 96 12.711 1.217 -1.612 1.00 10.53 O ATOM 1533 NE2 GLN A 96 10.990 2.075 -0.499 1.00 1.34 N ATOM 0 H GLN A 96 12.692 4.536 2.324 1.00 14.00 H new ATOM 0 HA GLN A 96 11.794 1.866 1.861 1.00 53.01 H new ATOM 0 HB2 GLN A 96 14.469 3.288 1.529 1.00 12.11 H new ATOM 0 HB3 GLN A 96 14.207 1.627 1.034 1.00 12.11 H new ATOM 0 HG2 GLN A 96 12.611 3.997 -0.012 1.00 1.24 H new ATOM 0 HG3 GLN A 96 13.999 3.304 -0.826 1.00 1.24 H new ATOM 0 HE21 GLN A 96 10.649 2.776 0.159 1.00 1.34 H new ATOM 0 HE22 GLN A 96 10.343 1.398 -0.903 1.00 1.34 H new ATOM 1542 N GLY A 97 13.846 2.361 4.386 1.00 15.32 N ATOM 1543 CA GLY A 97 14.366 1.728 5.596 1.00 45.50 C ATOM 1544 C GLY A 97 13.261 1.322 6.564 1.00 11.21 C ATOM 1545 O GLY A 97 13.361 0.300 7.250 1.00 54.10 O ATOM 0 H GLY A 97 14.028 3.362 4.317 1.00 15.32 H new ATOM 0 HA2 GLY A 97 14.945 0.847 5.321 1.00 45.50 H new ATOM 0 HA3 GLY A 97 15.049 2.415 6.097 1.00 45.50 H new ATOM 1549 N LYS A 98 12.208 2.134 6.625 1.00 4.13 N ATOM 1550 CA LYS A 98 11.045 1.848 7.469 1.00 73.41 C ATOM 1551 C LYS A 98 10.209 0.707 6.858 1.00 34.02 C ATOM 1552 O LYS A 98 9.776 -0.207 7.559 1.00 62.32 O ATOM 1553 CB LYS A 98 10.196 3.129 7.631 1.00 75.02 C ATOM 1554 CG LYS A 98 9.305 3.166 8.879 1.00 41.41 C ATOM 1555 CD LYS A 98 8.166 2.149 8.831 1.00 32.35 C ATOM 1556 CE LYS A 98 7.224 2.290 10.022 1.00 3.54 C ATOM 1557 NZ LYS A 98 7.916 2.053 11.318 1.00 5.23 N ATOM 0 H LYS A 98 12.134 3.003 6.096 1.00 4.13 H new ATOM 0 HA LYS A 98 11.383 1.526 8.454 1.00 73.41 H new ATOM 0 HB2 LYS A 98 10.865 3.989 7.656 1.00 75.02 H new ATOM 0 HB3 LYS A 98 9.565 3.242 6.750 1.00 75.02 H new ATOM 0 HG2 LYS A 98 9.917 2.976 9.761 1.00 41.41 H new ATOM 0 HG3 LYS A 98 8.887 4.166 8.990 1.00 41.41 H new ATOM 0 HD2 LYS A 98 7.603 2.278 7.906 1.00 32.35 H new ATOM 0 HD3 LYS A 98 8.580 1.141 8.814 1.00 32.35 H new ATOM 0 HE2 LYS A 98 6.789 3.289 10.022 1.00 3.54 H new ATOM 0 HE3 LYS A 98 6.401 1.583 9.917 1.00 3.54 H new ATOM 0 HZ1 LYS A 98 7.219 2.059 12.090 1.00 5.23 H new ATOM 0 HZ2 LYS A 98 8.396 1.131 11.292 1.00 5.23 H new ATOM 0 HZ3 LYS A 98 8.617 2.804 11.479 1.00 5.23 H new ATOM 1571 N PHE A 99 9.995 0.769 5.543 1.00 44.11 N ATOM 1572 CA PHE A 99 9.238 -0.262 4.819 1.00 10.51 C ATOM 1573 C PHE A 99 10.142 -1.010 3.816 1.00 53.22 C ATOM 1574 O PHE A 99 10.185 -0.672 2.630 1.00 24.22 O ATOM 1575 CB PHE A 99 8.050 0.372 4.076 1.00 60.40 C ATOM 1576 CG PHE A 99 7.120 1.168 4.962 1.00 65.41 C ATOM 1577 CD1 PHE A 99 6.187 0.525 5.765 1.00 53.45 C ATOM 1578 CD2 PHE A 99 7.179 2.556 4.990 1.00 64.04 C ATOM 1579 CE1 PHE A 99 5.334 1.250 6.576 1.00 33.23 C ATOM 1580 CE2 PHE A 99 6.327 3.284 5.799 1.00 11.40 C ATOM 1581 CZ PHE A 99 5.404 2.631 6.594 1.00 21.13 C ATOM 0 H PHE A 99 10.336 1.526 4.951 1.00 44.11 H new ATOM 0 HA PHE A 99 8.864 -0.979 5.549 1.00 10.51 H new ATOM 0 HB2 PHE A 99 8.433 1.024 3.291 1.00 60.40 H new ATOM 0 HB3 PHE A 99 7.480 -0.417 3.585 1.00 60.40 H new ATOM 0 HD1 PHE A 99 6.127 -0.553 5.756 1.00 53.45 H new ATOM 0 HD2 PHE A 99 7.899 3.072 4.372 1.00 64.04 H new ATOM 0 HE1 PHE A 99 4.613 0.738 7.196 1.00 33.23 H new ATOM 0 HE2 PHE A 99 6.382 4.363 5.810 1.00 11.40 H new ATOM 0 HZ PHE A 99 4.739 3.198 7.228 1.00 21.13 H new ATOM 1591 N PRO A 100 10.875 -2.045 4.278 1.00 13.34 N ATOM 1592 CA PRO A 100 11.869 -2.754 3.444 1.00 30.20 C ATOM 1593 C PRO A 100 11.238 -3.638 2.352 1.00 63.40 C ATOM 1594 O PRO A 100 11.913 -4.053 1.408 1.00 61.04 O ATOM 1595 CB PRO A 100 12.625 -3.610 4.468 1.00 60.23 C ATOM 1596 CG PRO A 100 11.632 -3.861 5.551 1.00 70.14 C ATOM 1597 CD PRO A 100 10.798 -2.608 5.643 1.00 75.41 C ATOM 0 HA PRO A 100 12.497 -2.059 2.887 1.00 30.20 H new ATOM 0 HB2 PRO A 100 12.974 -4.543 4.025 1.00 60.23 H new ATOM 0 HB3 PRO A 100 13.504 -3.090 4.848 1.00 60.23 H new ATOM 0 HG2 PRO A 100 11.012 -4.727 5.320 1.00 70.14 H new ATOM 0 HG3 PRO A 100 12.130 -4.069 6.498 1.00 70.14 H new ATOM 0 HD2 PRO A 100 9.770 -2.830 5.929 1.00 75.41 H new ATOM 0 HD3 PRO A 100 11.193 -1.916 6.386 1.00 75.41 H new ATOM 1605 N GLU A 101 9.945 -3.925 2.482 1.00 1.13 N ATOM 1606 CA GLU A 101 9.237 -4.769 1.507 1.00 54.34 C ATOM 1607 C GLU A 101 8.309 -3.944 0.600 1.00 73.42 C ATOM 1608 O GLU A 101 7.545 -4.501 -0.193 1.00 33.31 O ATOM 1609 CB GLU A 101 8.427 -5.849 2.241 1.00 34.04 C ATOM 1610 CG GLU A 101 9.273 -6.765 3.120 1.00 42.22 C ATOM 1611 CD GLU A 101 8.455 -7.860 3.787 1.00 30.02 C ATOM 1612 OE1 GLU A 101 8.146 -8.869 3.118 1.00 20.41 O ATOM 1613 OE2 GLU A 101 8.114 -7.718 4.983 1.00 20.12 O ATOM 0 H GLU A 101 9.362 -3.589 3.249 1.00 1.13 H new ATOM 0 HA GLU A 101 9.987 -5.239 0.871 1.00 54.34 H new ATOM 0 HB2 GLU A 101 7.671 -5.365 2.859 1.00 34.04 H new ATOM 0 HB3 GLU A 101 7.897 -6.455 1.506 1.00 34.04 H new ATOM 0 HG2 GLU A 101 10.056 -7.221 2.514 1.00 42.22 H new ATOM 0 HG3 GLU A 101 9.769 -6.169 3.887 1.00 42.22 H new ATOM 1620 N VAL A 102 8.389 -2.618 0.709 1.00 33.01 N ATOM 1621 CA VAL A 102 7.524 -1.720 -0.069 1.00 43.31 C ATOM 1622 C VAL A 102 8.338 -0.865 -1.059 1.00 33.53 C ATOM 1623 O VAL A 102 9.355 -0.263 -0.699 1.00 21.24 O ATOM 1624 CB VAL A 102 6.705 -0.789 0.859 1.00 24.22 C ATOM 1625 CG1 VAL A 102 5.811 0.145 0.045 1.00 33.40 C ATOM 1626 CG2 VAL A 102 5.877 -1.605 1.851 1.00 61.34 C ATOM 0 H VAL A 102 9.043 -2.138 1.328 1.00 33.01 H new ATOM 0 HA VAL A 102 6.840 -2.354 -0.634 1.00 43.31 H new ATOM 0 HB VAL A 102 7.406 -0.175 1.425 1.00 24.22 H new ATOM 0 HG11 VAL A 102 5.247 0.788 0.720 1.00 33.40 H new ATOM 0 HG12 VAL A 102 6.428 0.760 -0.610 1.00 33.40 H new ATOM 0 HG13 VAL A 102 5.120 -0.446 -0.556 1.00 33.40 H new ATOM 0 HG21 VAL A 102 5.310 -0.931 2.493 1.00 61.34 H new ATOM 0 HG22 VAL A 102 5.189 -2.251 1.306 1.00 61.34 H new ATOM 0 HG23 VAL A 102 6.541 -2.216 2.463 1.00 61.34 H new ATOM 1636 N VAL A 103 7.872 -0.809 -2.305 1.00 40.24 N ATOM 1637 CA VAL A 103 8.550 -0.049 -3.363 1.00 31.01 C ATOM 1638 C VAL A 103 7.858 1.302 -3.619 1.00 54.10 C ATOM 1639 O VAL A 103 6.695 1.350 -4.014 1.00 62.21 O ATOM 1640 CB VAL A 103 8.586 -0.856 -4.689 1.00 44.43 C ATOM 1641 CG1 VAL A 103 9.328 -0.086 -5.784 1.00 44.02 C ATOM 1642 CG2 VAL A 103 9.215 -2.232 -4.467 1.00 34.21 C ATOM 0 H VAL A 103 7.022 -1.283 -2.612 1.00 40.24 H new ATOM 0 HA VAL A 103 9.568 0.134 -3.019 1.00 31.01 H new ATOM 0 HB VAL A 103 7.559 -1.001 -5.023 1.00 44.43 H new ATOM 0 HG11 VAL A 103 9.337 -0.675 -6.701 1.00 44.02 H new ATOM 0 HG12 VAL A 103 8.823 0.863 -5.968 1.00 44.02 H new ATOM 0 HG13 VAL A 103 10.353 0.104 -5.465 1.00 44.02 H new ATOM 0 HG21 VAL A 103 9.231 -2.781 -5.408 1.00 34.21 H new ATOM 0 HG22 VAL A 103 10.234 -2.111 -4.101 1.00 34.21 H new ATOM 0 HG23 VAL A 103 8.629 -2.786 -3.734 1.00 34.21 H new ATOM 1652 N PHE A 104 8.577 2.400 -3.391 1.00 43.53 N ATOM 1653 CA PHE A 104 8.035 3.747 -3.628 1.00 40.33 C ATOM 1654 C PHE A 104 8.349 4.232 -5.054 1.00 70.24 C ATOM 1655 O PHE A 104 9.516 4.361 -5.435 1.00 2.24 O ATOM 1656 CB PHE A 104 8.587 4.738 -2.589 1.00 53.41 C ATOM 1657 CG PHE A 104 8.016 4.544 -1.202 1.00 33.31 C ATOM 1658 CD1 PHE A 104 8.280 3.389 -0.480 1.00 15.23 C ATOM 1659 CD2 PHE A 104 7.216 5.520 -0.621 1.00 45.13 C ATOM 1660 CE1 PHE A 104 7.759 3.210 0.788 1.00 73.22 C ATOM 1661 CE2 PHE A 104 6.693 5.344 0.646 1.00 43.51 C ATOM 1662 CZ PHE A 104 6.964 4.189 1.351 1.00 62.24 C ATOM 0 H PHE A 104 9.536 2.389 -3.043 1.00 43.53 H new ATOM 0 HA PHE A 104 6.951 3.696 -3.523 1.00 40.33 H new ATOM 0 HB2 PHE A 104 9.671 4.637 -2.544 1.00 53.41 H new ATOM 0 HB3 PHE A 104 8.375 5.754 -2.921 1.00 53.41 H new ATOM 0 HD1 PHE A 104 8.901 2.619 -0.914 1.00 15.23 H new ATOM 0 HD2 PHE A 104 7.000 6.427 -1.166 1.00 45.13 H new ATOM 0 HE1 PHE A 104 7.973 2.305 1.338 1.00 73.22 H new ATOM 0 HE2 PHE A 104 6.072 6.111 1.085 1.00 43.51 H new ATOM 0 HZ PHE A 104 6.555 4.051 2.341 1.00 62.24 H new ATOM 1672 N SER A 105 7.305 4.503 -5.837 1.00 22.42 N ATOM 1673 CA SER A 105 7.468 4.909 -7.245 1.00 12.53 C ATOM 1674 C SER A 105 7.503 6.433 -7.415 1.00 1.13 C ATOM 1675 O SER A 105 6.917 7.177 -6.627 1.00 12.21 O ATOM 1676 CB SER A 105 6.335 4.331 -8.112 1.00 15.32 C ATOM 1677 OG SER A 105 6.369 2.911 -8.136 1.00 3.22 O ATOM 0 H SER A 105 6.335 4.451 -5.526 1.00 22.42 H new ATOM 0 HA SER A 105 8.428 4.510 -7.572 1.00 12.53 H new ATOM 0 HB2 SER A 105 5.373 4.666 -7.725 1.00 15.32 H new ATOM 0 HB3 SER A 105 6.421 4.715 -9.128 1.00 15.32 H new ATOM 0 HG SER A 105 5.458 2.560 -8.045 1.00 3.22 H new ATOM 1683 N GLY A 106 8.194 6.881 -8.465 1.00 43.30 N ATOM 1684 CA GLY A 106 8.289 8.305 -8.775 1.00 41.45 C ATOM 1685 C GLY A 106 7.850 8.627 -10.203 1.00 50.15 C ATOM 1686 O GLY A 106 6.667 8.524 -10.538 1.00 1.41 O ATOM 0 H GLY A 106 8.696 6.276 -9.115 1.00 43.30 H new ATOM 0 HA2 GLY A 106 7.672 8.867 -8.074 1.00 41.45 H new ATOM 0 HA3 GLY A 106 9.318 8.636 -8.632 1.00 41.45 H new ATOM 1690 N SER A 107 8.809 9.033 -11.037 1.00 74.20 N ATOM 1691 CA SER A 107 8.542 9.385 -12.443 1.00 21.33 C ATOM 1692 C SER A 107 7.867 8.235 -13.212 1.00 44.03 C ATOM 1693 O SER A 107 6.699 8.337 -13.596 1.00 64.30 O ATOM 1694 CB SER A 107 9.847 9.786 -13.152 1.00 44.33 C ATOM 1695 OG SER A 107 10.807 8.737 -13.110 1.00 35.24 O ATOM 0 H SER A 107 9.787 9.128 -10.765 1.00 74.20 H new ATOM 0 HA SER A 107 7.853 10.230 -12.435 1.00 21.33 H new ATOM 0 HB2 SER A 107 9.634 10.044 -14.189 1.00 44.33 H new ATOM 0 HB3 SER A 107 10.260 10.677 -12.680 1.00 44.33 H new ATOM 0 HG SER A 107 11.624 9.022 -13.570 1.00 35.24 H new ATOM 1701 N ASN A 108 8.605 7.147 -13.443 1.00 14.22 N ATOM 1702 CA ASN A 108 8.066 5.979 -14.155 1.00 73.01 C ATOM 1703 C ASN A 108 9.037 4.785 -14.092 1.00 42.14 C ATOM 1704 O ASN A 108 10.255 4.962 -14.035 1.00 55.24 O ATOM 1705 CB ASN A 108 7.759 6.337 -15.617 1.00 14.13 C ATOM 1706 CG ASN A 108 7.020 5.228 -16.343 1.00 25.51 C ATOM 1707 OD1 ASN A 108 7.618 4.389 -17.006 1.00 70.10 O ATOM 1708 ND2 ASN A 108 5.710 5.197 -16.206 1.00 30.51 N ATOM 0 H ASN A 108 9.577 7.047 -13.149 1.00 14.22 H new ATOM 0 HA ASN A 108 7.140 5.686 -13.660 1.00 73.01 H new ATOM 0 HB2 ASN A 108 7.161 7.248 -15.647 1.00 14.13 H new ATOM 0 HB3 ASN A 108 8.692 6.550 -16.139 1.00 14.13 H new ATOM 0 HD21 ASN A 108 5.167 4.461 -16.658 1.00 30.51 H new ATOM 0 HD22 ASN A 108 5.239 5.909 -15.648 1.00 30.51 H new ATOM 1715 N LEU A 109 8.486 3.571 -14.103 1.00 42.53 N ATOM 1716 CA LEU A 109 9.289 2.346 -14.013 1.00 62.15 C ATOM 1717 C LEU A 109 9.753 1.874 -15.403 1.00 22.55 C ATOM 1718 O LEU A 109 8.973 1.864 -16.362 1.00 31.53 O ATOM 1719 CB LEU A 109 8.492 1.226 -13.318 1.00 12.45 C ATOM 1720 CG LEU A 109 8.212 1.430 -11.814 1.00 40.22 C ATOM 1721 CD1 LEU A 109 7.289 2.624 -11.570 1.00 71.31 C ATOM 1722 CD2 LEU A 109 7.617 0.162 -11.205 1.00 61.55 C ATOM 0 H LEU A 109 7.482 3.407 -14.174 1.00 42.53 H new ATOM 0 HA LEU A 109 10.173 2.576 -13.419 1.00 62.15 H new ATOM 0 HB2 LEU A 109 7.538 1.112 -13.833 1.00 12.45 H new ATOM 0 HB3 LEU A 109 9.035 0.289 -13.443 1.00 12.45 H new ATOM 0 HG LEU A 109 9.163 1.643 -11.326 1.00 40.22 H new ATOM 0 HD11 LEU A 109 7.115 2.736 -10.500 1.00 71.31 H new ATOM 0 HD12 LEU A 109 7.755 3.529 -11.959 1.00 71.31 H new ATOM 0 HD13 LEU A 109 6.338 2.459 -12.077 1.00 71.31 H new ATOM 0 HD21 LEU A 109 7.426 0.323 -10.144 1.00 61.55 H new ATOM 0 HD22 LEU A 109 6.682 -0.080 -11.710 1.00 61.55 H new ATOM 0 HD23 LEU A 109 8.318 -0.663 -11.326 1.00 61.55 H new ATOM 1734 N GLU A 110 11.017 1.467 -15.493 1.00 2.24 N ATOM 1735 CA GLU A 110 11.618 1.029 -16.760 1.00 60.32 C ATOM 1736 C GLU A 110 10.864 -0.153 -17.387 1.00 24.41 C ATOM 1737 O GLU A 110 10.780 -1.234 -16.802 1.00 54.30 O ATOM 1738 CB GLU A 110 13.086 0.644 -16.535 1.00 3.34 C ATOM 1739 CG GLU A 110 13.984 1.819 -16.169 1.00 72.44 C ATOM 1740 CD GLU A 110 15.371 1.381 -15.735 1.00 40.54 C ATOM 1741 OE1 GLU A 110 16.160 0.935 -16.597 1.00 2.22 O ATOM 1742 OE2 GLU A 110 15.675 1.464 -14.526 1.00 31.12 O ATOM 0 H GLU A 110 11.654 1.430 -14.697 1.00 2.24 H new ATOM 0 HA GLU A 110 11.552 1.866 -17.456 1.00 60.32 H new ATOM 0 HB2 GLU A 110 13.138 -0.101 -15.741 1.00 3.34 H new ATOM 0 HB3 GLU A 110 13.471 0.174 -17.440 1.00 3.34 H new ATOM 0 HG2 GLU A 110 14.070 2.487 -17.026 1.00 72.44 H new ATOM 0 HG3 GLU A 110 13.519 2.390 -15.365 1.00 72.44 H new ATOM 1749 N HIS A 111 10.310 0.067 -18.576 1.00 34.21 N ATOM 1750 CA HIS A 111 9.640 -0.992 -19.340 1.00 33.13 C ATOM 1751 C HIS A 111 9.951 -0.862 -20.839 1.00 11.44 C ATOM 1752 O HIS A 111 9.601 0.134 -21.472 1.00 52.01 O ATOM 1753 CB HIS A 111 8.123 -0.956 -19.103 1.00 13.30 C ATOM 1754 CG HIS A 111 7.724 -1.364 -17.716 1.00 73.52 C ATOM 1755 ND1 HIS A 111 7.366 -0.462 -16.738 1.00 42.11 N ATOM 1756 CD2 HIS A 111 7.623 -2.588 -17.144 1.00 23.30 C ATOM 1757 CE1 HIS A 111 7.066 -1.108 -15.631 1.00 53.35 C ATOM 1758 NE2 HIS A 111 7.212 -2.396 -15.850 1.00 33.12 N ATOM 0 H HIS A 111 10.310 0.976 -19.038 1.00 34.21 H new ATOM 0 HA HIS A 111 10.021 -1.952 -18.992 1.00 33.13 H new ATOM 0 HB2 HIS A 111 7.757 0.052 -19.296 1.00 13.30 H new ATOM 0 HB3 HIS A 111 7.635 -1.615 -19.821 1.00 13.30 H new ATOM 0 HD1 HIS A 111 7.338 0.551 -16.854 1.00 42.11 H new ATOM 0 HD2 HIS A 111 7.828 -3.537 -17.618 1.00 23.30 H new ATOM 0 HE1 HIS A 111 6.753 -0.657 -14.701 1.00 53.35 H new ATOM 1767 N HIS A 112 10.604 -1.880 -21.399 1.00 50.41 N ATOM 1768 CA HIS A 112 11.029 -1.856 -22.804 1.00 61.24 C ATOM 1769 C HIS A 112 9.831 -1.859 -23.769 1.00 33.44 C ATOM 1770 O HIS A 112 9.951 -1.438 -24.920 1.00 0.35 O ATOM 1771 CB HIS A 112 11.947 -3.047 -23.100 1.00 43.34 C ATOM 1772 CG HIS A 112 12.595 -2.982 -24.450 1.00 45.43 C ATOM 1773 ND1 HIS A 112 12.139 -3.686 -25.545 1.00 31.33 N ATOM 1774 CD2 HIS A 112 13.674 -2.285 -24.884 1.00 4.25 C ATOM 1775 CE1 HIS A 112 12.902 -3.427 -26.584 1.00 21.11 C ATOM 1776 NE2 HIS A 112 13.840 -2.581 -26.214 1.00 65.41 N ATOM 0 H HIS A 112 10.852 -2.735 -20.902 1.00 50.41 H new ATOM 0 HA HIS A 112 11.577 -0.927 -22.963 1.00 61.24 H new ATOM 0 HB2 HIS A 112 12.722 -3.096 -22.336 1.00 43.34 H new ATOM 0 HB3 HIS A 112 11.369 -3.968 -23.027 1.00 43.34 H new ATOM 0 HD2 HIS A 112 14.288 -1.621 -24.294 1.00 4.25 H new ATOM 0 HE1 HIS A 112 12.780 -3.839 -27.575 1.00 21.11 H new ATOM 0 HE2 HIS A 112 14.572 -2.206 -26.818 1.00 65.41 H new ATOM 1785 N HIS A 113 8.677 -2.330 -23.296 1.00 3.32 N ATOM 1786 CA HIS A 113 7.451 -2.329 -24.109 1.00 32.23 C ATOM 1787 C HIS A 113 6.809 -0.928 -24.147 1.00 54.23 C ATOM 1788 O HIS A 113 5.625 -0.754 -23.848 1.00 12.32 O ATOM 1789 CB HIS A 113 6.453 -3.364 -23.575 1.00 53.42 C ATOM 1790 CG HIS A 113 6.949 -4.775 -23.664 1.00 72.22 C ATOM 1791 ND1 HIS A 113 6.790 -5.562 -24.783 1.00 54.54 N ATOM 1792 CD2 HIS A 113 7.607 -5.543 -22.764 1.00 63.22 C ATOM 1793 CE1 HIS A 113 7.325 -6.747 -24.568 1.00 0.50 C ATOM 1794 NE2 HIS A 113 7.827 -6.761 -23.353 1.00 33.41 N ATOM 0 H HIS A 113 8.561 -2.716 -22.359 1.00 3.32 H new ATOM 0 HA HIS A 113 7.723 -2.601 -25.129 1.00 32.23 H new ATOM 0 HB2 HIS A 113 6.224 -3.133 -22.535 1.00 53.42 H new ATOM 0 HB3 HIS A 113 5.521 -3.279 -24.133 1.00 53.42 H new ATOM 0 HD2 HIS A 113 7.903 -5.250 -21.768 1.00 63.22 H new ATOM 0 HE1 HIS A 113 7.347 -7.567 -25.270 1.00 0.50 H new ATOM 0 HE2 HIS A 113 8.304 -7.551 -22.918 1.00 33.41 H new ATOM 1803 N HIS A 114 7.603 0.066 -24.541 1.00 41.52 N ATOM 1804 CA HIS A 114 7.154 1.460 -24.609 1.00 43.44 C ATOM 1805 C HIS A 114 6.365 1.715 -25.909 1.00 12.13 C ATOM 1806 O HIS A 114 6.846 2.387 -26.823 1.00 22.05 O ATOM 1807 CB HIS A 114 8.380 2.384 -24.513 1.00 53.33 C ATOM 1808 CG HIS A 114 8.066 3.832 -24.285 1.00 12.32 C ATOM 1809 ND1 HIS A 114 8.113 4.782 -25.283 1.00 42.11 N ATOM 1810 CD2 HIS A 114 7.733 4.501 -23.154 1.00 2.52 C ATOM 1811 CE1 HIS A 114 7.828 5.964 -24.780 1.00 62.31 C ATOM 1812 NE2 HIS A 114 7.591 5.822 -23.493 1.00 14.42 N ATOM 0 H HIS A 114 8.574 -0.069 -24.822 1.00 41.52 H new ATOM 0 HA HIS A 114 6.483 1.670 -23.776 1.00 43.44 H new ATOM 0 HB2 HIS A 114 9.017 2.034 -23.701 1.00 53.33 H new ATOM 0 HB3 HIS A 114 8.957 2.293 -25.433 1.00 53.33 H new ATOM 0 HD2 HIS A 114 7.604 4.074 -22.171 1.00 2.52 H new ATOM 0 HE1 HIS A 114 7.794 6.893 -25.330 1.00 62.31 H new ATOM 0 HE2 HIS A 114 7.342 6.574 -22.851 1.00 14.42 H new ATOM 1821 N HIS A 115 5.155 1.146 -25.982 1.00 51.02 N ATOM 1822 CA HIS A 115 4.309 1.201 -27.191 1.00 42.25 C ATOM 1823 C HIS A 115 4.973 0.526 -28.407 1.00 62.23 C ATOM 1824 O HIS A 115 4.553 0.728 -29.548 1.00 21.35 O ATOM 1825 CB HIS A 115 3.917 2.651 -27.526 1.00 64.44 C ATOM 1826 CG HIS A 115 2.853 3.202 -26.624 1.00 32.30 C ATOM 1827 ND1 HIS A 115 3.124 3.905 -25.470 1.00 13.13 N ATOM 1828 CD2 HIS A 115 1.502 3.145 -26.713 1.00 50.00 C ATOM 1829 CE1 HIS A 115 1.992 4.251 -24.891 1.00 11.51 C ATOM 1830 NE2 HIS A 115 0.995 3.804 -25.622 1.00 14.03 N ATOM 0 H HIS A 115 4.731 0.634 -25.208 1.00 51.02 H new ATOM 0 HA HIS A 115 3.404 0.637 -26.964 1.00 42.25 H new ATOM 0 HB2 HIS A 115 4.802 3.284 -27.461 1.00 64.44 H new ATOM 0 HB3 HIS A 115 3.568 2.697 -28.558 1.00 64.44 H new ATOM 0 HD2 HIS A 115 0.931 2.669 -27.497 1.00 50.00 H new ATOM 0 HE1 HIS A 115 1.899 4.808 -23.971 1.00 11.51 H new ATOM 0 HE2 HIS A 115 0.005 3.927 -25.412 1.00 14.03 H new ATOM 1839 N HIS A 116 5.988 -0.299 -28.154 1.00 25.11 N ATOM 1840 CA HIS A 116 6.680 -1.040 -29.220 1.00 63.11 C ATOM 1841 C HIS A 116 6.271 -2.528 -29.217 1.00 55.12 C ATOM 1842 O HIS A 116 5.432 -2.927 -30.057 1.00 36.42 O ATOM 1843 CB HIS A 116 8.204 -0.903 -29.058 1.00 11.43 C ATOM 1844 CG HIS A 116 8.991 -1.654 -30.091 1.00 53.42 C ATOM 1845 ND1 HIS A 116 9.217 -1.174 -31.360 1.00 72.53 N ATOM 1846 CD2 HIS A 116 9.604 -2.859 -30.034 1.00 13.23 C ATOM 1847 CE1 HIS A 116 9.929 -2.048 -32.041 1.00 42.05 C ATOM 1848 NE2 HIS A 116 10.179 -3.079 -31.261 1.00 3.24 N ATOM 1849 OXT HIS A 116 6.779 -3.286 -28.366 1.00 36.42 O ATOM 0 H HIS A 116 6.354 -0.475 -27.218 1.00 25.11 H new ATOM 0 HA HIS A 116 6.386 -0.612 -30.178 1.00 63.11 H new ATOM 0 HB2 HIS A 116 8.472 0.152 -29.107 1.00 11.43 H new ATOM 0 HB3 HIS A 116 8.489 -1.259 -28.068 1.00 11.43 H new ATOM 0 HD2 HIS A 116 9.635 -3.523 -29.183 1.00 13.23 H new ATOM 0 HE1 HIS A 116 10.253 -1.938 -33.065 1.00 42.05 H new ATOM 0 HE2 HIS A 116 10.713 -3.907 -31.526 1.00 3.24 H new TER 1858 HIS A 116