USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN :FLIP amide:sc= -1.6 F(o=-1.9,f=-0.83) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 172:sc= 0.767 (180deg=0.718) USER MOD Set 2.1: A 81 GLN : amide:sc= 0.899 K(o=1.9,f=-8.9!) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 161:sc= 1.04 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0742) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.079 K(o=-0.079,f=-0.66) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -0.68 (180deg=-1.58!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.221 F(o=-2.7,f=-0.22) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc=-0.00249 (180deg=-0.116) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.253 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 38 SER OG : rot 54:sc= -0.12 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0165 F(o=-0.86,f=-0.016) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0258) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= -0.0107 (180deg=-0.129) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 71 ASN : amide:sc= -0.0845 K(o=-0.084,f=-1) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.429 F(o=-1.4,f=-0.43) USER MOD Single : A 74 THR OG1 : rot 67:sc= 0.959 USER MOD Single : A 78 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.71) USER MOD Single : A 85 ASN :FLIP amide:sc= -2.04! C(o=-3.1!,f=-2!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -161:sc= -0.137 (180deg=-0.588) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= -0.689 (180deg=-0.689) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.166 USER MOD Single : A 108 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.6!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.4) USER MOD Single : A 113 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.057) USER MOD Single : A 114 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-2.2) USER MOD Single : A 115 HIS : no HD1:sc= -0.0896 X(o=-0.09,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 10.723 -29.969 -9.251 1.00 52.21 N ATOM 2 CA MET A 1 10.242 -30.652 -10.487 1.00 42.31 C ATOM 3 C MET A 1 8.713 -30.808 -10.488 1.00 45.51 C ATOM 4 O MET A 1 8.026 -30.269 -11.359 1.00 2.34 O ATOM 5 CB MET A 1 10.889 -32.038 -10.621 1.00 21.13 C ATOM 6 CG MET A 1 12.396 -32.019 -10.826 1.00 61.44 C ATOM 7 SD MET A 1 13.085 -33.684 -10.914 1.00 54.13 S ATOM 8 CE MET A 1 14.789 -33.333 -11.328 1.00 30.01 C ATOM 0 H1 MET A 1 11.733 -29.744 -9.350 1.00 52.21 H new ATOM 0 H2 MET A 1 10.185 -29.091 -9.108 1.00 52.21 H new ATOM 0 H3 MET A 1 10.586 -30.596 -8.432 1.00 52.21 H new ATOM 0 HA MET A 1 10.529 -30.028 -11.333 1.00 42.31 H new ATOM 0 HB2 MET A 1 10.665 -32.617 -9.725 1.00 21.13 H new ATOM 0 HB3 MET A 1 10.428 -32.559 -11.460 1.00 21.13 H new ATOM 0 HG2 MET A 1 12.631 -31.480 -11.744 1.00 61.44 H new ATOM 0 HG3 MET A 1 12.867 -31.474 -10.008 1.00 61.44 H new ATOM 0 HE1 MET A 1 15.342 -34.268 -11.416 1.00 30.01 H new ATOM 0 HE2 MET A 1 14.830 -32.796 -12.276 1.00 30.01 H new ATOM 0 HE3 MET A 1 15.235 -32.720 -10.545 1.00 30.01 H new ATOM 20 N ALA A 2 8.188 -31.544 -9.504 1.00 3.13 N ATOM 21 CA ALA A 2 6.748 -31.830 -9.415 1.00 44.33 C ATOM 22 C ALA A 2 5.890 -30.555 -9.441 1.00 22.31 C ATOM 23 O ALA A 2 6.354 -29.468 -9.079 1.00 31.44 O ATOM 24 CB ALA A 2 6.453 -32.632 -8.153 1.00 2.55 C ATOM 0 H ALA A 2 8.741 -31.956 -8.752 1.00 3.13 H new ATOM 0 HA ALA A 2 6.481 -32.414 -10.296 1.00 44.33 H new ATOM 0 HB1 ALA A 2 5.384 -32.839 -8.095 1.00 2.55 H new ATOM 0 HB2 ALA A 2 7.004 -33.572 -8.182 1.00 2.55 H new ATOM 0 HB3 ALA A 2 6.759 -32.059 -7.278 1.00 2.55 H new ATOM 30 N ALA A 3 4.634 -30.701 -9.862 1.00 25.22 N ATOM 31 CA ALA A 3 3.720 -29.561 -9.976 1.00 23.33 C ATOM 32 C ALA A 3 3.278 -29.039 -8.597 1.00 32.52 C ATOM 33 O ALA A 3 2.175 -29.329 -8.126 1.00 12.33 O ATOM 34 CB ALA A 3 2.510 -29.937 -10.825 1.00 60.52 C ATOM 0 H ALA A 3 4.225 -31.596 -10.130 1.00 25.22 H new ATOM 0 HA ALA A 3 4.259 -28.752 -10.468 1.00 23.33 H new ATOM 0 HB1 ALA A 3 1.839 -29.081 -10.902 1.00 60.52 H new ATOM 0 HB2 ALA A 3 2.841 -30.229 -11.822 1.00 60.52 H new ATOM 0 HB3 ALA A 3 1.984 -30.770 -10.359 1.00 60.52 H new ATOM 40 N SER A 4 4.164 -28.286 -7.950 1.00 41.42 N ATOM 41 CA SER A 4 3.869 -27.675 -6.646 1.00 63.00 C ATOM 42 C SER A 4 3.091 -26.370 -6.821 1.00 54.05 C ATOM 43 O SER A 4 3.560 -25.450 -7.490 1.00 40.04 O ATOM 44 CB SER A 4 5.166 -27.390 -5.872 1.00 54.42 C ATOM 45 OG SER A 4 5.874 -28.584 -5.576 1.00 0.45 O ATOM 0 H SER A 4 5.098 -28.081 -8.305 1.00 41.42 H new ATOM 0 HA SER A 4 3.261 -28.382 -6.081 1.00 63.00 H new ATOM 0 HB2 SER A 4 5.801 -26.726 -6.458 1.00 54.42 H new ATOM 0 HB3 SER A 4 4.929 -26.868 -4.945 1.00 54.42 H new ATOM 0 HG SER A 4 6.694 -28.365 -5.085 1.00 0.45 H new ATOM 51 N THR A 5 1.906 -26.289 -6.218 1.00 42.31 N ATOM 52 CA THR A 5 1.080 -25.076 -6.304 1.00 21.32 C ATOM 53 C THR A 5 1.851 -23.842 -5.814 1.00 33.42 C ATOM 54 O THR A 5 2.014 -23.628 -4.610 1.00 41.01 O ATOM 55 CB THR A 5 -0.230 -25.212 -5.487 1.00 20.44 C ATOM 56 OG1 THR A 5 -0.968 -26.365 -5.926 1.00 14.51 O ATOM 57 CG2 THR A 5 -1.105 -23.969 -5.634 1.00 23.23 C ATOM 0 H THR A 5 1.494 -27.042 -5.667 1.00 42.31 H new ATOM 0 HA THR A 5 0.826 -24.949 -7.356 1.00 21.32 H new ATOM 0 HB THR A 5 0.042 -25.325 -4.438 1.00 20.44 H new ATOM 0 HG1 THR A 5 -1.793 -26.444 -5.403 1.00 14.51 H new ATOM 0 HG21 THR A 5 -2.016 -24.094 -5.050 1.00 23.23 H new ATOM 0 HG22 THR A 5 -0.560 -23.096 -5.274 1.00 23.23 H new ATOM 0 HG23 THR A 5 -1.363 -23.828 -6.683 1.00 23.23 H new ATOM 65 N VAL A 6 2.337 -23.042 -6.764 1.00 11.53 N ATOM 66 CA VAL A 6 3.130 -21.855 -6.447 1.00 54.22 C ATOM 67 C VAL A 6 2.379 -20.904 -5.502 1.00 51.30 C ATOM 68 O VAL A 6 1.291 -20.418 -5.817 1.00 43.54 O ATOM 69 CB VAL A 6 3.559 -21.093 -7.733 1.00 13.03 C ATOM 70 CG1 VAL A 6 2.346 -20.682 -8.568 1.00 1.10 C ATOM 71 CG2 VAL A 6 4.417 -19.876 -7.385 1.00 33.34 C ATOM 0 H VAL A 6 2.194 -23.196 -7.762 1.00 11.53 H new ATOM 0 HA VAL A 6 4.027 -22.208 -5.938 1.00 54.22 H new ATOM 0 HB VAL A 6 4.161 -21.774 -8.335 1.00 13.03 H new ATOM 0 HG11 VAL A 6 2.681 -20.152 -9.459 1.00 1.10 H new ATOM 0 HG12 VAL A 6 1.789 -21.571 -8.863 1.00 1.10 H new ATOM 0 HG13 VAL A 6 1.702 -20.030 -7.978 1.00 1.10 H new ATOM 0 HG21 VAL A 6 4.705 -19.360 -8.301 1.00 33.34 H new ATOM 0 HG22 VAL A 6 3.846 -19.198 -6.750 1.00 33.34 H new ATOM 0 HG23 VAL A 6 5.312 -20.202 -6.856 1.00 33.34 H new ATOM 81 N HIS A 7 2.961 -20.659 -4.331 1.00 71.34 N ATOM 82 CA HIS A 7 2.367 -19.736 -3.365 1.00 64.50 C ATOM 83 C HIS A 7 2.541 -18.290 -3.841 1.00 32.44 C ATOM 84 O HIS A 7 3.531 -17.633 -3.519 1.00 63.40 O ATOM 85 CB HIS A 7 2.988 -19.928 -1.974 1.00 24.51 C ATOM 86 CG HIS A 7 2.879 -21.333 -1.453 1.00 40.12 C ATOM 87 ND1 HIS A 7 2.040 -22.279 -2.004 1.00 11.53 N ATOM 88 CD2 HIS A 7 3.520 -21.956 -0.437 1.00 42.22 C ATOM 89 CE1 HIS A 7 2.171 -23.415 -1.352 1.00 33.22 C ATOM 90 NE2 HIS A 7 3.061 -23.248 -0.399 1.00 65.22 N ATOM 0 H HIS A 7 3.838 -21.083 -4.028 1.00 71.34 H new ATOM 0 HA HIS A 7 1.301 -19.952 -3.290 1.00 64.50 H new ATOM 0 HB2 HIS A 7 4.040 -19.645 -2.013 1.00 24.51 H new ATOM 0 HB3 HIS A 7 2.502 -19.251 -1.272 1.00 24.51 H new ATOM 0 HD2 HIS A 7 4.256 -21.518 0.221 1.00 42.22 H new ATOM 0 HE1 HIS A 7 1.637 -24.330 -1.564 1.00 33.22 H new ATOM 0 HE2 HIS A 7 3.362 -23.964 0.262 1.00 65.22 H new ATOM 99 N THR A 8 1.594 -17.826 -4.651 1.00 61.33 N ATOM 100 CA THR A 8 1.648 -16.474 -5.216 1.00 34.21 C ATOM 101 C THR A 8 1.597 -15.405 -4.116 1.00 51.12 C ATOM 102 O THR A 8 0.525 -15.042 -3.623 1.00 31.13 O ATOM 103 CB THR A 8 0.501 -16.247 -6.241 1.00 33.34 C ATOM 104 OG1 THR A 8 0.618 -17.191 -7.322 1.00 44.15 O ATOM 105 CG2 THR A 8 0.519 -14.829 -6.811 1.00 21.25 C ATOM 0 H THR A 8 0.776 -18.365 -4.934 1.00 61.33 H new ATOM 0 HA THR A 8 2.600 -16.380 -5.738 1.00 34.21 H new ATOM 0 HB THR A 8 -0.442 -16.390 -5.714 1.00 33.34 H new ATOM 0 HG1 THR A 8 -0.108 -17.045 -7.964 1.00 44.15 H new ATOM 0 HG21 THR A 8 -0.298 -14.713 -7.523 1.00 21.25 H new ATOM 0 HG22 THR A 8 0.400 -14.110 -6.001 1.00 21.25 H new ATOM 0 HG23 THR A 8 1.468 -14.652 -7.317 1.00 21.25 H new ATOM 113 N SER A 9 2.775 -14.940 -3.702 1.00 71.04 N ATOM 114 CA SER A 9 2.887 -13.880 -2.694 1.00 35.33 C ATOM 115 C SER A 9 2.491 -12.518 -3.275 1.00 74.02 C ATOM 116 O SER A 9 2.349 -12.360 -4.490 1.00 13.43 O ATOM 117 CB SER A 9 4.316 -13.808 -2.134 1.00 62.14 C ATOM 118 OG SER A 9 4.680 -15.013 -1.473 1.00 41.03 O ATOM 0 H SER A 9 3.671 -15.281 -4.050 1.00 71.04 H new ATOM 0 HA SER A 9 2.200 -14.126 -1.884 1.00 35.33 H new ATOM 0 HB2 SER A 9 5.016 -13.612 -2.946 1.00 62.14 H new ATOM 0 HB3 SER A 9 4.393 -12.973 -1.438 1.00 62.14 H new ATOM 0 HG SER A 9 5.595 -14.935 -1.130 1.00 41.03 H new ATOM 124 N PHE A 10 2.333 -11.530 -2.400 1.00 63.13 N ATOM 125 CA PHE A 10 1.837 -10.211 -2.803 1.00 63.12 C ATOM 126 C PHE A 10 2.826 -9.102 -2.420 1.00 2.31 C ATOM 127 O PHE A 10 3.286 -9.032 -1.280 1.00 44.54 O ATOM 128 CB PHE A 10 0.465 -9.958 -2.167 1.00 31.42 C ATOM 129 CG PHE A 10 -0.549 -11.023 -2.509 1.00 45.01 C ATOM 130 CD1 PHE A 10 -1.229 -10.991 -3.720 1.00 10.51 C ATOM 131 CD2 PHE A 10 -0.805 -12.065 -1.631 1.00 31.41 C ATOM 132 CE1 PHE A 10 -2.147 -11.973 -4.041 1.00 14.11 C ATOM 133 CE2 PHE A 10 -1.722 -13.048 -1.947 1.00 10.10 C ATOM 134 CZ PHE A 10 -2.391 -13.003 -3.154 1.00 53.24 C ATOM 0 H PHE A 10 2.541 -11.614 -1.405 1.00 63.13 H new ATOM 0 HA PHE A 10 1.735 -10.197 -3.888 1.00 63.12 H new ATOM 0 HB2 PHE A 10 0.577 -9.905 -1.084 1.00 31.42 H new ATOM 0 HB3 PHE A 10 0.091 -8.989 -2.497 1.00 31.42 H new ATOM 0 HD1 PHE A 10 -1.038 -10.190 -4.418 1.00 10.51 H new ATOM 0 HD2 PHE A 10 -0.281 -12.108 -0.688 1.00 31.41 H new ATOM 0 HE1 PHE A 10 -2.673 -11.935 -4.984 1.00 14.11 H new ATOM 0 HE2 PHE A 10 -1.916 -13.851 -1.251 1.00 10.10 H new ATOM 0 HZ PHE A 10 -3.105 -13.773 -3.404 1.00 53.24 H new ATOM 144 N ILE A 11 3.147 -8.242 -3.382 1.00 34.31 N ATOM 145 CA ILE A 11 4.133 -7.171 -3.181 1.00 54.20 C ATOM 146 C ILE A 11 3.451 -5.797 -3.107 1.00 44.52 C ATOM 147 O ILE A 11 2.737 -5.398 -4.028 1.00 30.00 O ATOM 148 CB ILE A 11 5.180 -7.145 -4.324 1.00 10.12 C ATOM 149 CG1 ILE A 11 5.766 -8.549 -4.551 1.00 74.11 C ATOM 150 CG2 ILE A 11 6.291 -6.141 -4.012 1.00 53.35 C ATOM 151 CD1 ILE A 11 6.806 -8.608 -5.654 1.00 4.14 C ATOM 0 H ILE A 11 2.739 -8.262 -4.316 1.00 34.31 H new ATOM 0 HA ILE A 11 4.636 -7.380 -2.237 1.00 54.20 H new ATOM 0 HB ILE A 11 4.681 -6.830 -5.240 1.00 10.12 H new ATOM 0 HG12 ILE A 11 6.215 -8.899 -3.622 1.00 74.11 H new ATOM 0 HG13 ILE A 11 4.955 -9.236 -4.792 1.00 74.11 H new ATOM 0 HG21 ILE A 11 7.017 -6.137 -4.825 1.00 53.35 H new ATOM 0 HG22 ILE A 11 5.861 -5.145 -3.904 1.00 53.35 H new ATOM 0 HG23 ILE A 11 6.788 -6.425 -3.084 1.00 53.35 H new ATOM 0 HD11 ILE A 11 7.172 -9.630 -5.754 1.00 4.14 H new ATOM 0 HD12 ILE A 11 6.357 -8.289 -6.595 1.00 4.14 H new ATOM 0 HD13 ILE A 11 7.637 -7.947 -5.406 1.00 4.14 H new ATOM 163 N LEU A 12 3.681 -5.073 -2.016 1.00 31.04 N ATOM 164 CA LEU A 12 3.082 -3.746 -1.833 1.00 12.52 C ATOM 165 C LEU A 12 3.920 -2.644 -2.509 1.00 54.24 C ATOM 166 O LEU A 12 5.136 -2.561 -2.314 1.00 42.10 O ATOM 167 CB LEU A 12 2.930 -3.436 -0.335 1.00 74.55 C ATOM 168 CG LEU A 12 2.244 -2.098 -0.004 1.00 20.04 C ATOM 169 CD1 LEU A 12 0.807 -2.077 -0.524 1.00 31.22 C ATOM 170 CD2 LEU A 12 2.282 -1.829 1.500 1.00 72.54 C ATOM 0 H LEU A 12 4.275 -5.377 -1.245 1.00 31.04 H new ATOM 0 HA LEU A 12 2.100 -3.761 -2.306 1.00 12.52 H new ATOM 0 HB2 LEU A 12 2.361 -4.241 0.129 1.00 74.55 H new ATOM 0 HB3 LEU A 12 3.920 -3.440 0.122 1.00 74.55 H new ATOM 0 HG LEU A 12 2.794 -1.302 -0.506 1.00 20.04 H new ATOM 0 HD11 LEU A 12 0.345 -1.121 -0.277 1.00 31.22 H new ATOM 0 HD12 LEU A 12 0.810 -2.210 -1.606 1.00 31.22 H new ATOM 0 HD13 LEU A 12 0.240 -2.884 -0.060 1.00 31.22 H new ATOM 0 HD21 LEU A 12 1.792 -0.879 1.712 1.00 72.54 H new ATOM 0 HD22 LEU A 12 1.763 -2.630 2.026 1.00 72.54 H new ATOM 0 HD23 LEU A 12 3.318 -1.786 1.836 1.00 72.54 H new ATOM 182 N LYS A 13 3.262 -1.808 -3.308 1.00 1.22 N ATOM 183 CA LYS A 13 3.903 -0.645 -3.930 1.00 52.32 C ATOM 184 C LYS A 13 3.275 0.662 -3.438 1.00 23.30 C ATOM 185 O LYS A 13 2.072 0.728 -3.175 1.00 20.23 O ATOM 186 CB LYS A 13 3.804 -0.697 -5.462 1.00 51.32 C ATOM 187 CG LYS A 13 4.530 -1.875 -6.103 1.00 65.20 C ATOM 188 CD LYS A 13 4.742 -1.659 -7.600 1.00 21.14 C ATOM 189 CE LYS A 13 3.431 -1.408 -8.344 1.00 12.42 C ATOM 190 NZ LYS A 13 2.520 -2.579 -8.285 1.00 4.25 N ATOM 0 H LYS A 13 2.275 -1.914 -3.544 1.00 1.22 H new ATOM 0 HA LYS A 13 4.953 -0.676 -3.640 1.00 52.32 H new ATOM 0 HB2 LYS A 13 2.752 -0.738 -5.744 1.00 51.32 H new ATOM 0 HB3 LYS A 13 4.208 0.229 -5.871 1.00 51.32 H new ATOM 0 HG2 LYS A 13 5.494 -2.017 -5.615 1.00 65.20 H new ATOM 0 HG3 LYS A 13 3.955 -2.787 -5.944 1.00 65.20 H new ATOM 0 HD2 LYS A 13 5.410 -0.811 -7.751 1.00 21.14 H new ATOM 0 HD3 LYS A 13 5.236 -2.533 -8.024 1.00 21.14 H new ATOM 0 HE2 LYS A 13 2.932 -0.539 -7.914 1.00 12.42 H new ATOM 0 HE3 LYS A 13 3.646 -1.169 -9.386 1.00 12.42 H new ATOM 0 HZ1 LYS A 13 2.443 -3.007 -9.230 1.00 4.25 H new ATOM 0 HZ2 LYS A 13 2.899 -3.281 -7.618 1.00 4.25 H new ATOM 0 HZ3 LYS A 13 1.579 -2.271 -7.966 1.00 4.25 H new ATOM 204 N VAL A 14 4.094 1.703 -3.330 1.00 60.14 N ATOM 205 CA VAL A 14 3.619 3.025 -2.913 1.00 40.40 C ATOM 206 C VAL A 14 4.164 4.131 -3.834 1.00 73.34 C ATOM 207 O VAL A 14 5.368 4.390 -3.871 1.00 15.21 O ATOM 208 CB VAL A 14 4.021 3.338 -1.445 1.00 62.32 C ATOM 209 CG1 VAL A 14 3.583 4.747 -1.044 1.00 75.44 C ATOM 210 CG2 VAL A 14 3.435 2.301 -0.485 1.00 61.21 C ATOM 0 H VAL A 14 5.094 1.660 -3.525 1.00 60.14 H new ATOM 0 HA VAL A 14 2.532 3.004 -2.985 1.00 40.40 H new ATOM 0 HB VAL A 14 5.108 3.289 -1.381 1.00 62.32 H new ATOM 0 HG11 VAL A 14 3.877 4.940 -0.012 1.00 75.44 H new ATOM 0 HG12 VAL A 14 4.059 5.476 -1.699 1.00 75.44 H new ATOM 0 HG13 VAL A 14 2.500 4.831 -1.134 1.00 75.44 H new ATOM 0 HG21 VAL A 14 3.731 2.542 0.536 1.00 61.21 H new ATOM 0 HG22 VAL A 14 2.348 2.310 -0.559 1.00 61.21 H new ATOM 0 HG23 VAL A 14 3.809 1.311 -0.747 1.00 61.21 H new ATOM 220 N LEU A 15 3.270 4.781 -4.576 1.00 75.42 N ATOM 221 CA LEU A 15 3.647 5.922 -5.414 1.00 63.33 C ATOM 222 C LEU A 15 3.727 7.179 -4.531 1.00 70.23 C ATOM 223 O LEU A 15 2.707 7.762 -4.154 1.00 4.53 O ATOM 224 CB LEU A 15 2.622 6.106 -6.555 1.00 62.15 C ATOM 225 CG LEU A 15 3.126 6.826 -7.825 1.00 42.50 C ATOM 226 CD1 LEU A 15 2.037 6.836 -8.898 1.00 11.30 C ATOM 227 CD2 LEU A 15 3.589 8.249 -7.517 1.00 1.23 C ATOM 0 H LEU A 15 2.280 4.539 -4.615 1.00 75.42 H new ATOM 0 HA LEU A 15 4.621 5.746 -5.871 1.00 63.33 H new ATOM 0 HB2 LEU A 15 2.253 5.122 -6.844 1.00 62.15 H new ATOM 0 HB3 LEU A 15 1.771 6.662 -6.162 1.00 62.15 H new ATOM 0 HG LEU A 15 3.987 6.274 -8.202 1.00 42.50 H new ATOM 0 HD11 LEU A 15 2.407 7.347 -9.787 1.00 11.30 H new ATOM 0 HD12 LEU A 15 1.769 5.811 -9.154 1.00 11.30 H new ATOM 0 HD13 LEU A 15 1.158 7.357 -8.519 1.00 11.30 H new ATOM 0 HD21 LEU A 15 3.937 8.725 -8.434 1.00 1.23 H new ATOM 0 HD22 LEU A 15 2.758 8.821 -7.104 1.00 1.23 H new ATOM 0 HD23 LEU A 15 4.403 8.218 -6.793 1.00 1.23 H new ATOM 239 N TRP A 16 4.951 7.577 -4.200 1.00 51.31 N ATOM 240 CA TRP A 16 5.187 8.612 -3.191 1.00 25.22 C ATOM 241 C TRP A 16 5.240 10.017 -3.814 1.00 75.02 C ATOM 242 O TRP A 16 6.154 10.338 -4.575 1.00 64.11 O ATOM 243 CB TRP A 16 6.500 8.306 -2.455 1.00 22.42 C ATOM 244 CG TRP A 16 6.717 9.136 -1.221 1.00 41.35 C ATOM 245 CD1 TRP A 16 7.425 10.301 -1.119 1.00 21.31 C ATOM 246 CD2 TRP A 16 6.218 8.855 0.092 1.00 65.04 C ATOM 247 NE1 TRP A 16 7.394 10.760 0.174 1.00 33.43 N ATOM 248 CE2 TRP A 16 6.660 9.889 0.937 1.00 5.14 C ATOM 249 CE3 TRP A 16 5.439 7.828 0.634 1.00 24.15 C ATOM 250 CZ2 TRP A 16 6.348 9.927 2.292 1.00 25.51 C ATOM 251 CZ3 TRP A 16 5.130 7.867 1.979 1.00 30.33 C ATOM 252 CH2 TRP A 16 5.583 8.910 2.796 1.00 35.00 C ATOM 0 H TRP A 16 5.801 7.198 -4.617 1.00 51.31 H new ATOM 0 HA TRP A 16 4.354 8.603 -2.488 1.00 25.22 H new ATOM 0 HB2 TRP A 16 6.512 7.252 -2.178 1.00 22.42 H new ATOM 0 HB3 TRP A 16 7.334 8.466 -3.139 1.00 22.42 H new ATOM 0 HD1 TRP A 16 7.934 10.789 -1.937 1.00 21.31 H new ATOM 0 HE1 TRP A 16 7.844 11.611 0.512 1.00 33.43 H new ATOM 0 HE3 TRP A 16 5.086 7.019 0.012 1.00 24.15 H new ATOM 0 HZ2 TRP A 16 6.697 10.730 2.924 1.00 25.51 H new ATOM 0 HZ3 TRP A 16 4.529 7.079 2.408 1.00 30.33 H new ATOM 0 HH2 TRP A 16 5.324 8.912 3.844 1.00 35.00 H new ATOM 263 N LEU A 17 4.252 10.849 -3.489 1.00 63.31 N ATOM 264 CA LEU A 17 4.230 12.250 -3.932 1.00 62.53 C ATOM 265 C LEU A 17 4.230 13.195 -2.718 1.00 52.43 C ATOM 266 O LEU A 17 4.309 12.751 -1.570 1.00 10.53 O ATOM 267 CB LEU A 17 2.998 12.509 -4.814 1.00 32.11 C ATOM 268 CG LEU A 17 2.899 11.640 -6.080 1.00 43.21 C ATOM 269 CD1 LEU A 17 1.566 11.869 -6.788 1.00 31.21 C ATOM 270 CD2 LEU A 17 4.070 11.921 -7.023 1.00 31.12 C ATOM 0 H LEU A 17 3.451 10.579 -2.918 1.00 63.31 H new ATOM 0 HA LEU A 17 5.126 12.444 -4.521 1.00 62.53 H new ATOM 0 HB2 LEU A 17 2.102 12.350 -4.214 1.00 32.11 H new ATOM 0 HB3 LEU A 17 3.000 13.557 -5.112 1.00 32.11 H new ATOM 0 HG LEU A 17 2.949 10.593 -5.780 1.00 43.21 H new ATOM 0 HD11 LEU A 17 1.516 11.245 -7.680 1.00 31.21 H new ATOM 0 HD12 LEU A 17 0.748 11.608 -6.117 1.00 31.21 H new ATOM 0 HD13 LEU A 17 1.481 12.918 -7.073 1.00 31.21 H new ATOM 0 HD21 LEU A 17 3.980 11.296 -7.911 1.00 31.12 H new ATOM 0 HD22 LEU A 17 4.058 12.971 -7.315 1.00 31.12 H new ATOM 0 HD23 LEU A 17 5.008 11.697 -6.515 1.00 31.12 H new ATOM 282 N ASP A 18 4.160 14.498 -2.972 1.00 5.23 N ATOM 283 CA ASP A 18 4.135 15.494 -1.897 1.00 52.41 C ATOM 284 C ASP A 18 2.711 15.682 -1.349 1.00 0.33 C ATOM 285 O ASP A 18 2.471 15.553 -0.150 1.00 50.13 O ATOM 286 CB ASP A 18 4.680 16.829 -2.411 1.00 12.04 C ATOM 287 CG ASP A 18 6.077 16.689 -2.989 1.00 23.33 C ATOM 288 OD1 ASP A 18 6.205 16.200 -4.130 1.00 20.32 O ATOM 289 OD2 ASP A 18 7.054 17.054 -2.307 1.00 53.31 O ATOM 0 H ASP A 18 4.119 14.893 -3.912 1.00 5.23 H new ATOM 0 HA ASP A 18 4.766 15.135 -1.084 1.00 52.41 H new ATOM 0 HB2 ASP A 18 4.010 17.224 -3.174 1.00 12.04 H new ATOM 0 HB3 ASP A 18 4.696 17.552 -1.596 1.00 12.04 H new ATOM 294 N GLN A 19 1.773 15.977 -2.246 1.00 52.02 N ATOM 295 CA GLN A 19 0.377 16.233 -1.868 1.00 41.34 C ATOM 296 C GLN A 19 -0.474 14.952 -1.905 1.00 33.31 C ATOM 297 O GLN A 19 -1.579 14.914 -1.356 1.00 0.05 O ATOM 298 CB GLN A 19 -0.222 17.290 -2.805 1.00 3.10 C ATOM 299 CG GLN A 19 0.531 18.620 -2.789 1.00 13.23 C ATOM 300 CD GLN A 19 -0.010 19.620 -3.798 1.00 33.33 C ATOM 301 OE1 GLN A 19 -0.908 20.405 -3.502 1.00 74.44 O ATOM 302 NE2 GLN A 19 0.540 19.608 -4.995 1.00 63.51 N ATOM 0 H GLN A 19 1.952 16.046 -3.248 1.00 52.02 H new ATOM 0 HA GLN A 19 0.369 16.599 -0.841 1.00 41.34 H new ATOM 0 HB2 GLN A 19 -0.230 16.899 -3.822 1.00 3.10 H new ATOM 0 HB3 GLN A 19 -1.260 17.466 -2.523 1.00 3.10 H new ATOM 0 HG2 GLN A 19 0.473 19.052 -1.790 1.00 13.23 H new ATOM 0 HG3 GLN A 19 1.585 18.437 -2.996 1.00 13.23 H new ATOM 0 HE21 GLN A 19 1.284 18.943 -5.208 1.00 63.51 H new ATOM 0 HE22 GLN A 19 0.222 20.264 -5.709 1.00 63.51 H new ATOM 311 N ASN A 20 0.040 13.908 -2.557 1.00 30.42 N ATOM 312 CA ASN A 20 -0.691 12.639 -2.700 1.00 10.43 C ATOM 313 C ASN A 20 0.214 11.425 -2.425 1.00 64.41 C ATOM 314 O ASN A 20 1.440 11.519 -2.461 1.00 71.21 O ATOM 315 CB ASN A 20 -1.289 12.516 -4.111 1.00 74.44 C ATOM 316 CG ASN A 20 -2.311 13.596 -4.435 1.00 55.14 C ATOM 317 OD1 ASN A 20 -3.028 14.075 -3.436 1.00 2.44 O flip ATOM 318 ND2 ASN A 20 -2.462 13.995 -5.582 1.00 41.21 N flip ATOM 0 H ASN A 20 0.960 13.912 -2.996 1.00 30.42 H new ATOM 0 HA ASN A 20 -1.492 12.646 -1.961 1.00 10.43 H new ATOM 0 HB2 ASN A 20 -0.483 12.559 -4.843 1.00 74.44 H new ATOM 0 HB3 ASN A 20 -1.761 11.539 -4.213 1.00 74.44 H new ATOM 0 HD21 ASN A 20 -1.894 13.608 -6.336 1.00 41.21 H new ATOM 0 HD22 ASN A 20 -3.156 14.715 -5.784 1.00 41.21 H new ATOM 325 N VAL A 21 -0.411 10.288 -2.152 1.00 31.43 N ATOM 326 CA VAL A 21 0.304 9.021 -1.967 1.00 14.51 C ATOM 327 C VAL A 21 -0.587 7.837 -2.388 1.00 25.21 C ATOM 328 O VAL A 21 -1.685 7.646 -1.861 1.00 34.44 O ATOM 329 CB VAL A 21 0.780 8.854 -0.497 1.00 74.42 C ATOM 330 CG1 VAL A 21 -0.365 9.091 0.475 1.00 34.22 C ATOM 331 CG2 VAL A 21 1.399 7.480 -0.259 1.00 25.54 C ATOM 0 H VAL A 21 -1.423 10.212 -2.052 1.00 31.43 H new ATOM 0 HA VAL A 21 1.189 9.035 -2.603 1.00 14.51 H new ATOM 0 HB VAL A 21 1.550 9.605 -0.320 1.00 74.42 H new ATOM 0 HG11 VAL A 21 -0.006 8.968 1.497 1.00 34.22 H new ATOM 0 HG12 VAL A 21 -0.750 10.103 0.345 1.00 34.22 H new ATOM 0 HG13 VAL A 21 -1.161 8.372 0.281 1.00 34.22 H new ATOM 0 HG21 VAL A 21 1.720 7.400 0.780 1.00 25.54 H new ATOM 0 HG22 VAL A 21 0.661 6.707 -0.471 1.00 25.54 H new ATOM 0 HG23 VAL A 21 2.259 7.350 -0.915 1.00 25.54 H new ATOM 341 N ALA A 22 -0.121 7.059 -3.361 1.00 70.14 N ATOM 342 CA ALA A 22 -0.922 5.968 -3.932 1.00 13.34 C ATOM 343 C ALA A 22 -0.373 4.585 -3.558 1.00 24.14 C ATOM 344 O ALA A 22 0.835 4.367 -3.558 1.00 32.14 O ATOM 345 CB ALA A 22 -0.989 6.118 -5.446 1.00 43.05 C ATOM 0 H ALA A 22 0.806 7.160 -3.774 1.00 70.14 H new ATOM 0 HA ALA A 22 -1.925 6.038 -3.510 1.00 13.34 H new ATOM 0 HB1 ALA A 22 -1.584 5.307 -5.866 1.00 43.05 H new ATOM 0 HB2 ALA A 22 -1.450 7.074 -5.697 1.00 43.05 H new ATOM 0 HB3 ALA A 22 0.019 6.081 -5.860 1.00 43.05 H new ATOM 351 N ILE A 23 -1.270 3.650 -3.246 1.00 1.02 N ATOM 352 CA ILE A 23 -0.876 2.279 -2.890 1.00 10.43 C ATOM 353 C ILE A 23 -1.379 1.252 -3.923 1.00 14.13 C ATOM 354 O ILE A 23 -2.451 1.416 -4.506 1.00 3.21 O ATOM 355 CB ILE A 23 -1.400 1.889 -1.480 1.00 73.54 C ATOM 356 CG1 ILE A 23 -2.932 2.044 -1.401 1.00 52.41 C ATOM 357 CG2 ILE A 23 -0.709 2.730 -0.403 1.00 53.13 C ATOM 358 CD1 ILE A 23 -3.521 1.660 -0.055 1.00 64.03 C ATOM 0 H ILE A 23 -2.277 3.813 -3.231 1.00 1.02 H new ATOM 0 HA ILE A 23 0.214 2.261 -2.884 1.00 10.43 H new ATOM 0 HB ILE A 23 -1.161 0.840 -1.302 1.00 73.54 H new ATOM 0 HG12 ILE A 23 -3.194 3.079 -1.619 1.00 52.41 H new ATOM 0 HG13 ILE A 23 -3.390 1.429 -2.176 1.00 52.41 H new ATOM 0 HG21 ILE A 23 -1.087 2.445 0.579 1.00 53.13 H new ATOM 0 HG22 ILE A 23 0.367 2.558 -0.442 1.00 53.13 H new ATOM 0 HG23 ILE A 23 -0.915 3.786 -0.578 1.00 53.13 H new ATOM 0 HD11 ILE A 23 -4.602 1.796 -0.079 1.00 64.03 H new ATOM 0 HD12 ILE A 23 -3.291 0.616 0.158 1.00 64.03 H new ATOM 0 HD13 ILE A 23 -3.093 2.292 0.723 1.00 64.03 H new ATOM 370 N ALA A 24 -0.592 0.196 -4.141 1.00 72.01 N ATOM 371 CA ALA A 24 -0.938 -0.866 -5.100 1.00 61.12 C ATOM 372 C ALA A 24 -0.291 -2.202 -4.706 1.00 42.05 C ATOM 373 O ALA A 24 0.595 -2.237 -3.859 1.00 44.25 O ATOM 374 CB ALA A 24 -0.507 -0.469 -6.510 1.00 41.12 C ATOM 0 H ALA A 24 0.297 0.049 -3.664 1.00 72.01 H new ATOM 0 HA ALA A 24 -2.020 -0.995 -5.082 1.00 61.12 H new ATOM 0 HB1 ALA A 24 -0.769 -1.264 -7.208 1.00 41.12 H new ATOM 0 HB2 ALA A 24 -1.015 0.451 -6.800 1.00 41.12 H new ATOM 0 HB3 ALA A 24 0.571 -0.310 -6.530 1.00 41.12 H new ATOM 380 N VAL A 25 -0.733 -3.302 -5.320 1.00 64.44 N ATOM 381 CA VAL A 25 -0.177 -4.636 -5.016 1.00 34.44 C ATOM 382 C VAL A 25 0.130 -5.440 -6.297 1.00 72.21 C ATOM 383 O VAL A 25 -0.582 -5.334 -7.298 1.00 74.41 O ATOM 384 CB VAL A 25 -1.146 -5.463 -4.120 1.00 1.33 C ATOM 385 CG1 VAL A 25 -0.569 -6.846 -3.807 1.00 45.25 C ATOM 386 CG2 VAL A 25 -1.471 -4.714 -2.827 1.00 42.20 C ATOM 0 H VAL A 25 -1.469 -3.303 -6.027 1.00 64.44 H new ATOM 0 HA VAL A 25 0.756 -4.463 -4.479 1.00 34.44 H new ATOM 0 HB VAL A 25 -2.072 -5.601 -4.679 1.00 1.33 H new ATOM 0 HG11 VAL A 25 -1.269 -7.399 -3.180 1.00 45.25 H new ATOM 0 HG12 VAL A 25 -0.406 -7.391 -4.737 1.00 45.25 H new ATOM 0 HG13 VAL A 25 0.379 -6.734 -3.281 1.00 45.25 H new ATOM 0 HG21 VAL A 25 -2.149 -5.314 -2.220 1.00 42.20 H new ATOM 0 HG22 VAL A 25 -0.551 -4.532 -2.271 1.00 42.20 H new ATOM 0 HG23 VAL A 25 -1.944 -3.762 -3.067 1.00 42.20 H new ATOM 396 N ASP A 26 1.203 -6.235 -6.256 1.00 41.14 N ATOM 397 CA ASP A 26 1.546 -7.152 -7.354 1.00 22.54 C ATOM 398 C ASP A 26 1.434 -8.618 -6.907 1.00 54.11 C ATOM 399 O ASP A 26 1.624 -8.939 -5.735 1.00 45.13 O ATOM 400 CB ASP A 26 2.970 -6.892 -7.859 1.00 64.30 C ATOM 401 CG ASP A 26 3.154 -5.481 -8.371 1.00 22.30 C ATOM 402 OD1 ASP A 26 2.402 -5.062 -9.274 1.00 35.41 O ATOM 403 OD2 ASP A 26 4.042 -4.768 -7.863 1.00 53.44 O ATOM 0 H ASP A 26 1.854 -6.264 -5.471 1.00 41.14 H new ATOM 0 HA ASP A 26 0.836 -6.968 -8.161 1.00 22.54 H new ATOM 0 HB2 ASP A 26 3.678 -7.077 -7.051 1.00 64.30 H new ATOM 0 HB3 ASP A 26 3.204 -7.598 -8.656 1.00 64.30 H new ATOM 408 N GLN A 27 1.130 -9.498 -7.855 1.00 24.14 N ATOM 409 CA GLN A 27 1.056 -10.938 -7.593 1.00 22.11 C ATOM 410 C GLN A 27 2.293 -11.658 -8.161 1.00 53.25 C ATOM 411 O GLN A 27 2.637 -11.496 -9.335 1.00 13.32 O ATOM 412 CB GLN A 27 -0.232 -11.518 -8.209 1.00 11.43 C ATOM 413 CG GLN A 27 -0.325 -11.346 -9.723 1.00 34.24 C ATOM 414 CD GLN A 27 -1.666 -11.780 -10.291 1.00 32.04 C ATOM 415 OE1 GLN A 27 -2.589 -10.982 -10.405 1.00 43.43 O ATOM 416 NE2 GLN A 27 -1.788 -13.041 -10.653 1.00 45.40 N ATOM 0 H GLN A 27 0.929 -9.240 -8.821 1.00 24.14 H new ATOM 0 HA GLN A 27 1.036 -11.096 -6.515 1.00 22.11 H new ATOM 0 HB2 GLN A 27 -0.292 -12.580 -7.969 1.00 11.43 H new ATOM 0 HB3 GLN A 27 -1.093 -11.038 -7.745 1.00 11.43 H new ATOM 0 HG2 GLN A 27 -0.152 -10.300 -9.975 1.00 34.24 H new ATOM 0 HG3 GLN A 27 0.468 -11.924 -10.198 1.00 34.24 H new ATOM 0 HE21 GLN A 27 -1.001 -13.681 -10.546 1.00 45.40 H new ATOM 0 HE22 GLN A 27 -2.669 -13.377 -11.041 1.00 45.40 H new ATOM 425 N ILE A 28 2.976 -12.437 -7.322 1.00 61.53 N ATOM 426 CA ILE A 28 4.150 -13.201 -7.767 1.00 72.21 C ATOM 427 C ILE A 28 3.724 -14.496 -8.477 1.00 5.20 C ATOM 428 O ILE A 28 3.373 -15.493 -7.842 1.00 63.35 O ATOM 429 CB ILE A 28 5.108 -13.522 -6.589 1.00 73.32 C ATOM 430 CG1 ILE A 28 5.621 -12.215 -5.961 1.00 24.31 C ATOM 431 CG2 ILE A 28 6.275 -14.398 -7.056 1.00 20.34 C ATOM 432 CD1 ILE A 28 6.642 -12.412 -4.859 1.00 23.32 C ATOM 0 H ILE A 28 2.742 -12.558 -6.337 1.00 61.53 H new ATOM 0 HA ILE A 28 4.692 -12.575 -8.476 1.00 72.21 H new ATOM 0 HB ILE A 28 4.557 -14.081 -5.833 1.00 73.32 H new ATOM 0 HG12 ILE A 28 6.063 -11.598 -6.744 1.00 24.31 H new ATOM 0 HG13 ILE A 28 4.773 -11.661 -5.560 1.00 24.31 H new ATOM 0 HG21 ILE A 28 6.932 -14.609 -6.212 1.00 20.34 H new ATOM 0 HG22 ILE A 28 5.889 -15.335 -7.458 1.00 20.34 H new ATOM 0 HG23 ILE A 28 6.836 -13.875 -7.830 1.00 20.34 H new ATOM 0 HD11 ILE A 28 6.951 -11.441 -4.471 1.00 23.32 H new ATOM 0 HD12 ILE A 28 6.200 -13.000 -4.055 1.00 23.32 H new ATOM 0 HD13 ILE A 28 7.511 -12.937 -5.257 1.00 23.32 H new ATOM 444 N VAL A 29 3.748 -14.460 -9.805 1.00 73.32 N ATOM 445 CA VAL A 29 3.277 -15.576 -10.630 1.00 40.25 C ATOM 446 C VAL A 29 4.354 -16.669 -10.762 1.00 0.41 C ATOM 447 O VAL A 29 5.539 -16.413 -10.562 1.00 52.54 O ATOM 448 CB VAL A 29 2.868 -15.074 -12.041 1.00 5.14 C ATOM 449 CG1 VAL A 29 2.144 -16.163 -12.826 1.00 5.22 C ATOM 450 CG2 VAL A 29 2.004 -13.817 -11.939 1.00 33.45 C ATOM 0 H VAL A 29 4.092 -13.663 -10.341 1.00 73.32 H new ATOM 0 HA VAL A 29 2.407 -16.007 -10.134 1.00 40.25 H new ATOM 0 HB VAL A 29 3.780 -14.821 -12.582 1.00 5.14 H new ATOM 0 HG11 VAL A 29 1.870 -15.782 -13.810 1.00 5.22 H new ATOM 0 HG12 VAL A 29 2.800 -17.026 -12.941 1.00 5.22 H new ATOM 0 HG13 VAL A 29 1.243 -16.461 -12.289 1.00 5.22 H new ATOM 0 HG21 VAL A 29 1.729 -13.482 -12.939 1.00 33.45 H new ATOM 0 HG22 VAL A 29 1.102 -14.041 -11.370 1.00 33.45 H new ATOM 0 HG23 VAL A 29 2.565 -13.030 -11.435 1.00 33.45 H new ATOM 460 N GLY A 30 3.933 -17.883 -11.119 1.00 31.40 N ATOM 461 CA GLY A 30 4.856 -19.012 -11.241 1.00 31.33 C ATOM 462 C GLY A 30 6.062 -18.761 -12.155 1.00 75.13 C ATOM 463 O GLY A 30 7.076 -19.456 -12.049 1.00 71.24 O ATOM 0 H GLY A 30 2.961 -18.109 -11.328 1.00 31.40 H new ATOM 0 HA2 GLY A 30 5.219 -19.275 -10.248 1.00 31.33 H new ATOM 0 HA3 GLY A 30 4.306 -19.874 -11.618 1.00 31.33 H new ATOM 467 N LYS A 31 5.962 -17.775 -13.049 1.00 21.25 N ATOM 468 CA LYS A 31 7.059 -17.454 -13.974 1.00 71.03 C ATOM 469 C LYS A 31 7.624 -16.037 -13.728 1.00 33.22 C ATOM 470 O LYS A 31 8.528 -15.592 -14.433 1.00 33.14 O ATOM 471 CB LYS A 31 6.573 -17.588 -15.427 1.00 3.01 C ATOM 472 CG LYS A 31 7.690 -17.523 -16.471 1.00 4.54 C ATOM 473 CD LYS A 31 7.165 -17.737 -17.891 1.00 75.02 C ATOM 474 CE LYS A 31 6.237 -16.612 -18.346 1.00 21.24 C ATOM 475 NZ LYS A 31 6.941 -15.305 -18.430 1.00 44.13 N ATOM 0 H LYS A 31 5.137 -17.185 -13.155 1.00 21.25 H new ATOM 0 HA LYS A 31 7.867 -18.163 -13.793 1.00 71.03 H new ATOM 0 HB2 LYS A 31 6.044 -18.535 -15.535 1.00 3.01 H new ATOM 0 HB3 LYS A 31 5.853 -16.796 -15.632 1.00 3.01 H new ATOM 0 HG2 LYS A 31 8.186 -16.554 -16.411 1.00 4.54 H new ATOM 0 HG3 LYS A 31 8.441 -18.280 -16.245 1.00 4.54 H new ATOM 0 HD2 LYS A 31 8.007 -17.810 -18.579 1.00 75.02 H new ATOM 0 HD3 LYS A 31 6.631 -18.686 -17.939 1.00 75.02 H new ATOM 0 HE2 LYS A 31 5.818 -16.861 -19.321 1.00 21.24 H new ATOM 0 HE3 LYS A 31 5.401 -16.529 -17.651 1.00 21.24 H new ATOM 0 HZ1 LYS A 31 6.334 -14.614 -18.915 1.00 44.13 H new ATOM 0 HZ2 LYS A 31 7.156 -14.964 -17.471 1.00 44.13 H new ATOM 0 HZ3 LYS A 31 7.827 -15.421 -18.963 1.00 44.13 H new ATOM 489 N GLY A 32 7.108 -15.339 -12.716 1.00 31.40 N ATOM 490 CA GLY A 32 7.567 -13.978 -12.434 1.00 3.22 C ATOM 491 C GLY A 32 6.592 -13.173 -11.577 1.00 45.01 C ATOM 492 O GLY A 32 6.135 -13.641 -10.539 1.00 11.31 O ATOM 0 H GLY A 32 6.384 -15.686 -12.087 1.00 31.40 H new ATOM 0 HA2 GLY A 32 8.531 -14.026 -11.927 1.00 3.22 H new ATOM 0 HA3 GLY A 32 7.728 -13.455 -13.376 1.00 3.22 H new ATOM 496 N THR A 33 6.278 -11.951 -12.007 1.00 53.00 N ATOM 497 CA THR A 33 5.338 -11.082 -11.278 1.00 64.55 C ATOM 498 C THR A 33 4.313 -10.455 -12.229 1.00 62.31 C ATOM 499 O THR A 33 4.526 -10.402 -13.442 1.00 63.31 O ATOM 500 CB THR A 33 6.069 -9.936 -10.529 1.00 0.35 C ATOM 501 OG1 THR A 33 6.758 -9.094 -11.468 1.00 31.00 O ATOM 502 CG2 THR A 33 7.062 -10.484 -9.504 1.00 60.03 C ATOM 0 H THR A 33 6.658 -11.535 -12.857 1.00 53.00 H new ATOM 0 HA THR A 33 4.834 -11.721 -10.553 1.00 64.55 H new ATOM 0 HB THR A 33 5.317 -9.352 -9.997 1.00 0.35 H new ATOM 0 HG1 THR A 33 7.215 -8.373 -10.987 1.00 31.00 H new ATOM 0 HG21 THR A 33 7.557 -9.655 -8.997 1.00 60.03 H new ATOM 0 HG22 THR A 33 6.531 -11.092 -8.772 1.00 60.03 H new ATOM 0 HG23 THR A 33 7.808 -11.096 -10.011 1.00 60.03 H new ATOM 510 N SER A 34 3.198 -9.984 -11.679 1.00 1.11 N ATOM 511 CA SER A 34 2.152 -9.330 -12.479 1.00 73.25 C ATOM 512 C SER A 34 1.382 -8.300 -11.645 1.00 40.52 C ATOM 513 O SER A 34 1.143 -8.517 -10.460 1.00 4.11 O ATOM 514 CB SER A 34 1.170 -10.374 -13.032 1.00 40.03 C ATOM 515 OG SER A 34 0.179 -9.770 -13.856 1.00 63.02 O ATOM 0 H SER A 34 2.990 -10.040 -10.682 1.00 1.11 H new ATOM 0 HA SER A 34 2.641 -8.816 -13.307 1.00 73.25 H new ATOM 0 HB2 SER A 34 1.717 -11.122 -13.607 1.00 40.03 H new ATOM 0 HB3 SER A 34 0.689 -10.897 -12.205 1.00 40.03 H new ATOM 0 HG SER A 34 -0.430 -10.459 -14.194 1.00 63.02 H new ATOM 521 N PRO A 35 0.980 -7.162 -12.245 1.00 63.12 N ATOM 522 CA PRO A 35 0.195 -6.135 -11.537 1.00 52.22 C ATOM 523 C PRO A 35 -1.174 -6.661 -11.060 1.00 2.40 C ATOM 524 O PRO A 35 -2.039 -7.000 -11.872 1.00 3.44 O ATOM 525 CB PRO A 35 0.024 -5.022 -12.589 1.00 50.15 C ATOM 526 CG PRO A 35 0.247 -5.696 -13.903 1.00 74.54 C ATOM 527 CD PRO A 35 1.259 -6.776 -13.641 1.00 1.52 C ATOM 0 HA PRO A 35 0.692 -5.799 -10.627 1.00 52.22 H new ATOM 0 HB2 PRO A 35 -0.970 -4.578 -12.536 1.00 50.15 H new ATOM 0 HB3 PRO A 35 0.741 -4.216 -12.432 1.00 50.15 H new ATOM 0 HG2 PRO A 35 -0.682 -6.115 -14.290 1.00 74.54 H new ATOM 0 HG3 PRO A 35 0.613 -4.989 -14.648 1.00 74.54 H new ATOM 0 HD2 PRO A 35 1.138 -7.617 -14.324 1.00 1.52 H new ATOM 0 HD3 PRO A 35 2.279 -6.411 -13.763 1.00 1.52 H new ATOM 535 N LEU A 36 -1.359 -6.740 -9.741 1.00 2.02 N ATOM 536 CA LEU A 36 -2.609 -7.249 -9.165 1.00 3.15 C ATOM 537 C LEU A 36 -3.669 -6.139 -9.069 1.00 14.32 C ATOM 538 O LEU A 36 -4.791 -6.290 -9.561 1.00 2.15 O ATOM 539 CB LEU A 36 -2.348 -7.848 -7.772 1.00 60.32 C ATOM 540 CG LEU A 36 -3.563 -8.504 -7.098 1.00 31.31 C ATOM 541 CD1 LEU A 36 -4.000 -9.751 -7.868 1.00 72.22 C ATOM 542 CD2 LEU A 36 -3.260 -8.836 -5.639 1.00 32.13 C ATOM 0 H LEU A 36 -0.662 -6.459 -9.051 1.00 2.02 H new ATOM 0 HA LEU A 36 -2.990 -8.028 -9.825 1.00 3.15 H new ATOM 0 HB2 LEU A 36 -1.556 -8.592 -7.858 1.00 60.32 H new ATOM 0 HB3 LEU A 36 -1.975 -7.058 -7.120 1.00 60.32 H new ATOM 0 HG LEU A 36 -4.389 -7.793 -7.114 1.00 31.31 H new ATOM 0 HD11 LEU A 36 -4.862 -10.200 -7.374 1.00 72.22 H new ATOM 0 HD12 LEU A 36 -4.270 -9.473 -8.887 1.00 72.22 H new ATOM 0 HD13 LEU A 36 -3.181 -10.469 -7.892 1.00 72.22 H new ATOM 0 HD21 LEU A 36 -4.134 -9.299 -5.182 1.00 32.13 H new ATOM 0 HD22 LEU A 36 -2.417 -9.525 -5.590 1.00 32.13 H new ATOM 0 HD23 LEU A 36 -3.012 -7.921 -5.101 1.00 32.13 H new ATOM 554 N THR A 37 -3.303 -5.029 -8.426 1.00 41.41 N ATOM 555 CA THR A 37 -4.216 -3.883 -8.254 1.00 31.54 C ATOM 556 C THR A 37 -3.596 -2.585 -8.791 1.00 33.35 C ATOM 557 O THR A 37 -2.380 -2.498 -9.000 1.00 4.10 O ATOM 558 CB THR A 37 -4.591 -3.660 -6.766 1.00 11.02 C ATOM 559 OG1 THR A 37 -3.447 -3.203 -6.023 1.00 41.13 O ATOM 560 CG2 THR A 37 -5.125 -4.942 -6.135 1.00 63.23 C ATOM 0 H THR A 37 -2.380 -4.893 -8.013 1.00 41.41 H new ATOM 0 HA THR A 37 -5.114 -4.127 -8.821 1.00 31.54 H new ATOM 0 HB THR A 37 -5.373 -2.901 -6.732 1.00 11.02 H new ATOM 0 HG1 THR A 37 -3.699 -3.065 -5.086 1.00 41.13 H new ATOM 0 HG21 THR A 37 -5.380 -4.755 -5.092 1.00 63.23 H new ATOM 0 HG22 THR A 37 -6.015 -5.269 -6.673 1.00 63.23 H new ATOM 0 HG23 THR A 37 -4.363 -5.719 -6.189 1.00 63.23 H new ATOM 568 N SER A 38 -4.436 -1.575 -9.006 1.00 4.31 N ATOM 569 CA SER A 38 -3.976 -0.261 -9.483 1.00 4.32 C ATOM 570 C SER A 38 -3.581 0.656 -8.314 1.00 31.35 C ATOM 571 O SER A 38 -3.680 0.274 -7.147 1.00 11.32 O ATOM 572 CB SER A 38 -5.066 0.418 -10.328 1.00 4.34 C ATOM 573 OG SER A 38 -4.634 1.683 -10.811 1.00 63.21 O ATOM 0 H SER A 38 -5.443 -1.636 -8.859 1.00 4.31 H new ATOM 0 HA SER A 38 -3.093 -0.429 -10.100 1.00 4.32 H new ATOM 0 HB2 SER A 38 -5.329 -0.224 -11.169 1.00 4.34 H new ATOM 0 HB3 SER A 38 -5.968 0.544 -9.729 1.00 4.34 H new ATOM 0 HG SER A 38 -3.784 1.579 -11.287 1.00 63.21 H new ATOM 579 N TYR A 39 -3.138 1.869 -8.636 1.00 64.22 N ATOM 580 CA TYR A 39 -2.704 2.836 -7.621 1.00 63.53 C ATOM 581 C TYR A 39 -3.888 3.625 -7.037 1.00 32.30 C ATOM 582 O TYR A 39 -4.509 4.438 -7.724 1.00 24.21 O ATOM 583 CB TYR A 39 -1.676 3.807 -8.218 1.00 54.22 C ATOM 584 CG TYR A 39 -0.322 3.174 -8.484 1.00 32.31 C ATOM 585 CD1 TYR A 39 0.648 3.123 -7.485 1.00 31.31 C ATOM 586 CD2 TYR A 39 -0.011 2.624 -9.725 1.00 63.24 C ATOM 587 CE1 TYR A 39 1.882 2.548 -7.716 1.00 4.41 C ATOM 588 CE2 TYR A 39 1.222 2.046 -9.961 1.00 30.20 C ATOM 589 CZ TYR A 39 2.163 2.010 -8.955 1.00 23.10 C ATOM 590 OH TYR A 39 3.392 1.438 -9.188 1.00 71.45 O ATOM 0 H TYR A 39 -3.069 2.210 -9.595 1.00 64.22 H new ATOM 0 HA TYR A 39 -2.245 2.272 -6.809 1.00 63.53 H new ATOM 0 HB2 TYR A 39 -2.069 4.209 -9.152 1.00 54.22 H new ATOM 0 HB3 TYR A 39 -1.546 4.649 -7.538 1.00 54.22 H new ATOM 0 HD1 TYR A 39 0.431 3.541 -6.513 1.00 31.31 H new ATOM 0 HD2 TYR A 39 -0.746 2.650 -10.516 1.00 63.24 H new ATOM 0 HE1 TYR A 39 2.623 2.520 -6.931 1.00 4.41 H new ATOM 0 HE2 TYR A 39 1.447 1.624 -10.930 1.00 30.20 H new ATOM 0 HH TYR A 39 3.429 1.106 -10.109 1.00 71.45 H new ATOM 600 N PHE A 40 -4.189 3.380 -5.765 1.00 31.32 N ATOM 601 CA PHE A 40 -5.263 4.095 -5.066 1.00 50.02 C ATOM 602 C PHE A 40 -4.715 5.352 -4.360 1.00 13.21 C ATOM 603 O PHE A 40 -3.946 5.251 -3.404 1.00 55.55 O ATOM 604 CB PHE A 40 -5.938 3.156 -4.056 1.00 51.04 C ATOM 605 CG PHE A 40 -6.398 1.854 -4.670 1.00 44.20 C ATOM 606 CD1 PHE A 40 -7.493 1.820 -5.524 1.00 4.31 C ATOM 607 CD2 PHE A 40 -5.731 0.666 -4.400 1.00 73.33 C ATOM 608 CE1 PHE A 40 -7.914 0.632 -6.092 1.00 74.02 C ATOM 609 CE2 PHE A 40 -6.150 -0.524 -4.966 1.00 51.31 C ATOM 610 CZ PHE A 40 -7.241 -0.541 -5.813 1.00 52.11 C ATOM 0 H PHE A 40 -3.704 2.690 -5.192 1.00 31.32 H new ATOM 0 HA PHE A 40 -6.004 4.420 -5.797 1.00 50.02 H new ATOM 0 HB2 PHE A 40 -5.241 2.942 -3.246 1.00 51.04 H new ATOM 0 HB3 PHE A 40 -6.795 3.664 -3.613 1.00 51.04 H new ATOM 0 HD1 PHE A 40 -8.023 2.734 -5.747 1.00 4.31 H new ATOM 0 HD2 PHE A 40 -4.876 0.672 -3.741 1.00 73.33 H new ATOM 0 HE1 PHE A 40 -8.768 0.621 -6.753 1.00 74.02 H new ATOM 0 HE2 PHE A 40 -5.624 -1.441 -4.746 1.00 51.31 H new ATOM 0 HZ PHE A 40 -7.567 -1.470 -6.256 1.00 52.11 H new ATOM 620 N PHE A 41 -5.117 6.533 -4.838 1.00 23.13 N ATOM 621 CA PHE A 41 -4.551 7.807 -4.364 1.00 4.11 C ATOM 622 C PHE A 41 -5.191 8.322 -3.056 1.00 20.41 C ATOM 623 O PHE A 41 -6.327 8.803 -3.044 1.00 40.21 O ATOM 624 CB PHE A 41 -4.680 8.881 -5.457 1.00 61.45 C ATOM 625 CG PHE A 41 -3.834 8.612 -6.676 1.00 2.13 C ATOM 626 CD1 PHE A 41 -4.294 7.791 -7.697 1.00 41.23 C ATOM 627 CD2 PHE A 41 -2.575 9.186 -6.800 1.00 32.32 C ATOM 628 CE1 PHE A 41 -3.517 7.546 -8.812 1.00 34.41 C ATOM 629 CE2 PHE A 41 -1.795 8.943 -7.915 1.00 4.24 C ATOM 630 CZ PHE A 41 -2.267 8.123 -8.923 1.00 31.22 C ATOM 0 H PHE A 41 -5.835 6.637 -5.555 1.00 23.13 H new ATOM 0 HA PHE A 41 -3.502 7.609 -4.143 1.00 4.11 H new ATOM 0 HB2 PHE A 41 -5.724 8.954 -5.760 1.00 61.45 H new ATOM 0 HB3 PHE A 41 -4.401 9.848 -5.038 1.00 61.45 H new ATOM 0 HD1 PHE A 41 -5.271 7.338 -7.618 1.00 41.23 H new ATOM 0 HD2 PHE A 41 -2.202 9.829 -6.017 1.00 32.32 H new ATOM 0 HE1 PHE A 41 -3.887 6.903 -9.597 1.00 34.41 H new ATOM 0 HE2 PHE A 41 -0.817 9.394 -7.999 1.00 4.24 H new ATOM 0 HZ PHE A 41 -1.659 7.934 -9.796 1.00 31.22 H new ATOM 640 N TRP A 42 -4.441 8.221 -1.963 1.00 12.51 N ATOM 641 CA TRP A 42 -4.802 8.840 -0.679 1.00 51.24 C ATOM 642 C TRP A 42 -4.172 10.251 -0.586 1.00 64.22 C ATOM 643 O TRP A 42 -3.051 10.459 -1.050 1.00 2.33 O ATOM 644 CB TRP A 42 -4.321 7.920 0.468 1.00 60.21 C ATOM 645 CG TRP A 42 -4.215 8.571 1.825 1.00 71.51 C ATOM 646 CD1 TRP A 42 -3.099 9.141 2.365 1.00 51.54 C ATOM 647 CD2 TRP A 42 -5.243 8.693 2.821 1.00 51.14 C ATOM 648 NE1 TRP A 42 -3.361 9.611 3.621 1.00 31.22 N ATOM 649 CE2 TRP A 42 -4.670 9.353 3.927 1.00 12.20 C ATOM 650 CE3 TRP A 42 -6.589 8.315 2.885 1.00 34.42 C ATOM 651 CZ2 TRP A 42 -5.393 9.640 5.080 1.00 70.14 C ATOM 652 CZ3 TRP A 42 -7.306 8.602 4.033 1.00 32.42 C ATOM 653 CH2 TRP A 42 -6.705 9.260 5.115 1.00 70.22 C ATOM 0 H TRP A 42 -3.561 7.707 -1.936 1.00 12.51 H new ATOM 0 HA TRP A 42 -5.883 8.957 -0.599 1.00 51.24 H new ATOM 0 HB2 TRP A 42 -5.005 7.075 0.543 1.00 60.21 H new ATOM 0 HB3 TRP A 42 -3.344 7.517 0.201 1.00 60.21 H new ATOM 0 HD1 TRP A 42 -2.142 9.211 1.869 1.00 51.54 H new ATOM 0 HE1 TRP A 42 -2.690 10.078 4.231 1.00 31.22 H new ATOM 0 HE3 TRP A 42 -7.059 7.809 2.054 1.00 34.42 H new ATOM 0 HZ2 TRP A 42 -4.934 10.145 5.917 1.00 70.14 H new ATOM 0 HZ3 TRP A 42 -8.345 8.315 4.096 1.00 32.42 H new ATOM 0 HH2 TRP A 42 -7.292 9.471 5.996 1.00 70.22 H new ATOM 664 N PRO A 43 -4.877 11.257 -0.015 1.00 53.45 N ATOM 665 CA PRO A 43 -6.236 11.123 0.530 1.00 63.34 C ATOM 666 C PRO A 43 -7.348 11.535 -0.454 1.00 61.21 C ATOM 667 O PRO A 43 -8.417 11.984 -0.037 1.00 12.23 O ATOM 668 CB PRO A 43 -6.176 12.095 1.709 1.00 72.12 C ATOM 669 CG PRO A 43 -5.301 13.215 1.230 1.00 75.54 C ATOM 670 CD PRO A 43 -4.372 12.632 0.179 1.00 1.12 C ATOM 0 HA PRO A 43 -6.487 10.091 0.777 1.00 63.34 H new ATOM 0 HB2 PRO A 43 -7.169 12.455 1.977 1.00 72.12 H new ATOM 0 HB3 PRO A 43 -5.759 11.618 2.596 1.00 72.12 H new ATOM 0 HG2 PRO A 43 -5.902 14.021 0.809 1.00 75.54 H new ATOM 0 HG3 PRO A 43 -4.731 13.640 2.056 1.00 75.54 H new ATOM 0 HD2 PRO A 43 -4.407 13.205 -0.747 1.00 1.12 H new ATOM 0 HD3 PRO A 43 -3.336 12.634 0.516 1.00 1.12 H new ATOM 678 N ARG A 44 -7.109 11.365 -1.755 1.00 72.23 N ATOM 679 CA ARG A 44 -8.114 11.723 -2.765 1.00 2.13 C ATOM 680 C ARG A 44 -9.307 10.756 -2.722 1.00 44.14 C ATOM 681 O ARG A 44 -10.405 11.082 -3.177 1.00 43.44 O ATOM 682 CB ARG A 44 -7.497 11.730 -4.173 1.00 4.44 C ATOM 683 CG ARG A 44 -6.220 12.561 -4.299 1.00 60.51 C ATOM 684 CD ARG A 44 -6.361 13.942 -3.663 1.00 2.22 C ATOM 685 NE ARG A 44 -7.513 14.685 -4.170 1.00 2.02 N ATOM 686 CZ ARG A 44 -7.899 15.839 -3.698 1.00 32.22 C ATOM 687 NH1 ARG A 44 -7.231 16.426 -2.759 1.00 4.34 N ATOM 688 NH2 ARG A 44 -8.951 16.414 -4.176 1.00 31.15 N ATOM 0 H ARG A 44 -6.241 10.987 -2.134 1.00 72.23 H new ATOM 0 HA ARG A 44 -8.471 12.727 -2.533 1.00 2.13 H new ATOM 0 HB2 ARG A 44 -7.278 10.703 -4.466 1.00 4.44 H new ATOM 0 HB3 ARG A 44 -8.235 12.112 -4.878 1.00 4.44 H new ATOM 0 HG2 ARG A 44 -5.395 12.028 -3.826 1.00 60.51 H new ATOM 0 HG3 ARG A 44 -5.965 12.673 -5.353 1.00 60.51 H new ATOM 0 HD2 ARG A 44 -6.453 13.832 -2.583 1.00 2.22 H new ATOM 0 HD3 ARG A 44 -5.454 14.517 -3.849 1.00 2.22 H new ATOM 0 HE ARG A 44 -8.047 14.278 -4.938 1.00 2.02 H new ATOM 0 HH11 ARG A 44 -6.392 15.987 -2.379 1.00 4.34 H new ATOM 0 HH12 ARG A 44 -7.543 17.328 -2.398 1.00 4.34 H new ATOM 0 HH21 ARG A 44 -9.482 15.967 -4.923 1.00 31.15 H new ATOM 0 HH22 ARG A 44 -9.252 17.316 -3.806 1.00 31.15 H new ATOM 702 N ALA A 45 -9.072 9.562 -2.182 1.00 34.21 N ATOM 703 CA ALA A 45 -10.120 8.551 -2.017 1.00 63.22 C ATOM 704 C ALA A 45 -9.789 7.606 -0.854 1.00 55.24 C ATOM 705 O ALA A 45 -8.660 7.592 -0.358 1.00 72.11 O ATOM 706 CB ALA A 45 -10.287 7.753 -3.308 1.00 12.35 C ATOM 0 H ALA A 45 -8.155 9.267 -1.847 1.00 34.21 H new ATOM 0 HA ALA A 45 -11.055 9.062 -1.789 1.00 63.22 H new ATOM 0 HB1 ALA A 45 -11.068 7.005 -3.175 1.00 12.35 H new ATOM 0 HB2 ALA A 45 -10.565 8.427 -4.119 1.00 12.35 H new ATOM 0 HB3 ALA A 45 -9.348 7.257 -3.553 1.00 12.35 H new ATOM 712 N ASP A 46 -10.772 6.821 -0.421 1.00 51.04 N ATOM 713 CA ASP A 46 -10.545 5.791 0.596 1.00 52.24 C ATOM 714 C ASP A 46 -9.650 4.666 0.041 1.00 72.31 C ATOM 715 O ASP A 46 -10.122 3.580 -0.300 1.00 1.43 O ATOM 716 CB ASP A 46 -11.887 5.234 1.090 1.00 32.15 C ATOM 717 CG ASP A 46 -12.666 6.247 1.916 1.00 53.05 C ATOM 718 OD1 ASP A 46 -12.993 7.333 1.388 1.00 21.41 O ATOM 719 OD2 ASP A 46 -12.931 5.975 3.108 1.00 12.53 O ATOM 0 H ASP A 46 -11.734 6.876 -0.756 1.00 51.04 H new ATOM 0 HA ASP A 46 -10.027 6.242 1.442 1.00 52.24 H new ATOM 0 HB2 ASP A 46 -12.488 4.928 0.234 1.00 32.15 H new ATOM 0 HB3 ASP A 46 -11.708 4.341 1.689 1.00 32.15 H new ATOM 724 N ALA A 47 -8.353 4.953 -0.056 1.00 63.53 N ATOM 725 CA ALA A 47 -7.379 4.043 -0.672 1.00 51.52 C ATOM 726 C ALA A 47 -7.394 2.646 -0.038 1.00 62.02 C ATOM 727 O ALA A 47 -7.504 1.639 -0.740 1.00 71.30 O ATOM 728 CB ALA A 47 -5.981 4.646 -0.588 1.00 43.32 C ATOM 0 H ALA A 47 -7.944 5.822 0.289 1.00 63.53 H new ATOM 0 HA ALA A 47 -7.666 3.920 -1.716 1.00 51.52 H new ATOM 0 HB1 ALA A 47 -5.263 3.966 -1.047 1.00 43.32 H new ATOM 0 HB2 ALA A 47 -5.964 5.600 -1.114 1.00 43.32 H new ATOM 0 HB3 ALA A 47 -5.715 4.803 0.457 1.00 43.32 H new ATOM 734 N TRP A 48 -7.285 2.589 1.286 1.00 40.13 N ATOM 735 CA TRP A 48 -7.259 1.315 2.010 1.00 22.20 C ATOM 736 C TRP A 48 -8.548 0.505 1.771 1.00 1.15 C ATOM 737 O TRP A 48 -8.505 -0.711 1.559 1.00 65.42 O ATOM 738 CB TRP A 48 -7.061 1.578 3.509 1.00 32.21 C ATOM 739 CG TRP A 48 -6.850 0.335 4.321 1.00 4.11 C ATOM 740 CD1 TRP A 48 -5.673 -0.335 4.503 1.00 1.34 C ATOM 741 CD2 TRP A 48 -7.842 -0.389 5.060 1.00 22.55 C ATOM 742 NE1 TRP A 48 -5.873 -1.426 5.310 1.00 65.02 N ATOM 743 CE2 TRP A 48 -7.196 -1.483 5.662 1.00 5.01 C ATOM 744 CE3 TRP A 48 -9.212 -0.217 5.269 1.00 62.34 C ATOM 745 CZ2 TRP A 48 -7.874 -2.400 6.461 1.00 22.43 C ATOM 746 CZ3 TRP A 48 -9.884 -1.128 6.060 1.00 73.30 C ATOM 747 CH2 TRP A 48 -9.215 -2.208 6.646 1.00 72.13 C ATOM 0 H TRP A 48 -7.213 3.412 1.884 1.00 40.13 H new ATOM 0 HA TRP A 48 -6.425 0.723 1.633 1.00 22.20 H new ATOM 0 HB2 TRP A 48 -6.203 2.237 3.642 1.00 32.21 H new ATOM 0 HB3 TRP A 48 -7.933 2.108 3.893 1.00 32.21 H new ATOM 0 HD1 TRP A 48 -4.724 -0.048 4.074 1.00 1.34 H new ATOM 0 HE1 TRP A 48 -5.153 -2.088 5.601 1.00 65.02 H new ATOM 0 HE3 TRP A 48 -9.737 0.614 4.820 1.00 62.34 H new ATOM 0 HZ2 TRP A 48 -7.359 -3.232 6.918 1.00 22.43 H new ATOM 0 HZ3 TRP A 48 -10.944 -1.005 6.229 1.00 73.30 H new ATOM 0 HH2 TRP A 48 -9.769 -2.905 7.257 1.00 72.13 H new ATOM 758 N GLN A 49 -9.691 1.189 1.801 1.00 2.33 N ATOM 759 CA GLN A 49 -10.983 0.547 1.541 1.00 64.42 C ATOM 760 C GLN A 49 -11.043 -0.015 0.110 1.00 32.14 C ATOM 761 O GLN A 49 -11.470 -1.151 -0.106 1.00 22.33 O ATOM 762 CB GLN A 49 -12.126 1.549 1.768 1.00 22.23 C ATOM 763 CG GLN A 49 -13.518 0.971 1.524 1.00 42.25 C ATOM 764 CD GLN A 49 -13.885 -0.156 2.479 1.00 54.44 C ATOM 765 OE1 GLN A 49 -13.429 -0.076 3.714 1.00 34.42 O flip ATOM 766 NE2 GLN A 49 -14.595 -1.086 2.114 1.00 14.53 N flip ATOM 0 H GLN A 49 -9.751 2.187 2.002 1.00 2.33 H new ATOM 0 HA GLN A 49 -11.096 -0.285 2.236 1.00 64.42 H new ATOM 0 HB2 GLN A 49 -12.072 1.920 2.792 1.00 22.23 H new ATOM 0 HB3 GLN A 49 -11.980 2.406 1.111 1.00 22.23 H new ATOM 0 HG2 GLN A 49 -14.255 1.769 1.616 1.00 42.25 H new ATOM 0 HG3 GLN A 49 -13.575 0.602 0.500 1.00 42.25 H new ATOM 0 HE21 GLN A 49 -14.934 -1.122 1.153 1.00 14.53 H new ATOM 0 HE22 GLN A 49 -14.847 -1.824 2.772 1.00 14.53 H new ATOM 775 N GLN A 50 -10.604 0.782 -0.863 1.00 25.24 N ATOM 776 CA GLN A 50 -10.567 0.346 -2.265 1.00 23.23 C ATOM 777 C GLN A 50 -9.594 -0.828 -2.460 1.00 3.15 C ATOM 778 O GLN A 50 -9.827 -1.713 -3.287 1.00 62.52 O ATOM 779 CB GLN A 50 -10.169 1.514 -3.179 1.00 53.12 C ATOM 780 CG GLN A 50 -11.149 2.686 -3.149 1.00 63.22 C ATOM 781 CD GLN A 50 -10.744 3.836 -4.061 1.00 4.54 C ATOM 782 OE1 GLN A 50 -9.453 4.037 -4.244 1.00 64.33 O flip ATOM 783 NE2 GLN A 50 -11.587 4.550 -4.591 1.00 65.34 N flip ATOM 0 H GLN A 50 -10.268 1.733 -0.710 1.00 25.24 H new ATOM 0 HA GLN A 50 -11.568 0.007 -2.533 1.00 23.23 H new ATOM 0 HB2 GLN A 50 -9.182 1.871 -2.886 1.00 53.12 H new ATOM 0 HB3 GLN A 50 -10.085 1.149 -4.203 1.00 53.12 H new ATOM 0 HG2 GLN A 50 -12.137 2.331 -3.441 1.00 63.22 H new ATOM 0 HG3 GLN A 50 -11.232 3.055 -2.127 1.00 63.22 H new ATOM 0 HE21 GLN A 50 -12.579 4.372 -4.432 1.00 65.34 H new ATOM 0 HE22 GLN A 50 -11.297 5.322 -5.191 1.00 65.34 H new ATOM 792 N LEU A 51 -8.505 -0.828 -1.693 1.00 2.21 N ATOM 793 CA LEU A 51 -7.513 -1.905 -1.753 1.00 53.40 C ATOM 794 C LEU A 51 -8.098 -3.235 -1.244 1.00 64.14 C ATOM 795 O LEU A 51 -8.030 -4.258 -1.932 1.00 42.55 O ATOM 796 CB LEU A 51 -6.264 -1.526 -0.941 1.00 31.24 C ATOM 797 CG LEU A 51 -5.127 -2.564 -0.956 1.00 31.45 C ATOM 798 CD1 LEU A 51 -4.661 -2.843 -2.384 1.00 33.14 C ATOM 799 CD2 LEU A 51 -3.960 -2.096 -0.090 1.00 31.53 C ATOM 0 H LEU A 51 -8.285 -0.093 -1.021 1.00 2.21 H new ATOM 0 HA LEU A 51 -7.230 -2.041 -2.797 1.00 53.40 H new ATOM 0 HB2 LEU A 51 -5.876 -0.582 -1.323 1.00 31.24 H new ATOM 0 HB3 LEU A 51 -6.562 -1.354 0.093 1.00 31.24 H new ATOM 0 HG LEU A 51 -5.513 -3.494 -0.539 1.00 31.45 H new ATOM 0 HD11 LEU A 51 -3.857 -3.579 -2.367 1.00 33.14 H new ATOM 0 HD12 LEU A 51 -5.495 -3.229 -2.970 1.00 33.14 H new ATOM 0 HD13 LEU A 51 -4.298 -1.920 -2.835 1.00 33.14 H new ATOM 0 HD21 LEU A 51 -3.167 -2.843 -0.114 1.00 31.53 H new ATOM 0 HD22 LEU A 51 -3.579 -1.150 -0.474 1.00 31.53 H new ATOM 0 HD23 LEU A 51 -4.300 -1.960 0.937 1.00 31.53 H new ATOM 811 N LYS A 52 -8.680 -3.222 -0.041 1.00 53.23 N ATOM 812 CA LYS A 52 -9.279 -4.435 0.527 1.00 62.11 C ATOM 813 C LYS A 52 -10.443 -4.934 -0.345 1.00 62.23 C ATOM 814 O LYS A 52 -10.662 -6.132 -0.463 1.00 23.43 O ATOM 815 CB LYS A 52 -9.756 -4.203 1.973 1.00 32.21 C ATOM 816 CG LYS A 52 -10.967 -3.283 2.105 1.00 13.34 C ATOM 817 CD LYS A 52 -11.365 -3.069 3.565 1.00 21.50 C ATOM 818 CE LYS A 52 -11.773 -4.368 4.255 1.00 14.30 C ATOM 819 NZ LYS A 52 -13.016 -4.949 3.677 1.00 43.11 N ATOM 0 H LYS A 52 -8.749 -2.396 0.553 1.00 53.23 H new ATOM 0 HA LYS A 52 -8.505 -5.202 0.545 1.00 62.11 H new ATOM 0 HB2 LYS A 52 -9.999 -5.167 2.420 1.00 32.21 H new ATOM 0 HB3 LYS A 52 -8.932 -3.782 2.550 1.00 32.21 H new ATOM 0 HG2 LYS A 52 -10.743 -2.320 1.645 1.00 13.34 H new ATOM 0 HG3 LYS A 52 -11.808 -3.710 1.558 1.00 13.34 H new ATOM 0 HD2 LYS A 52 -10.530 -2.621 4.104 1.00 21.50 H new ATOM 0 HD3 LYS A 52 -12.192 -2.360 3.613 1.00 21.50 H new ATOM 0 HE2 LYS A 52 -10.963 -5.092 4.170 1.00 14.30 H new ATOM 0 HE3 LYS A 52 -11.923 -4.180 5.318 1.00 14.30 H new ATOM 0 HZ1 LYS A 52 -13.310 -5.772 4.241 1.00 43.11 H new ATOM 0 HZ2 LYS A 52 -13.771 -4.234 3.688 1.00 43.11 H new ATOM 0 HZ3 LYS A 52 -12.837 -5.247 2.697 1.00 43.11 H new ATOM 833 N ASP A 53 -11.171 -4.000 -0.961 1.00 35.00 N ATOM 834 CA ASP A 53 -12.258 -4.341 -1.889 1.00 72.05 C ATOM 835 C ASP A 53 -11.762 -5.264 -3.021 1.00 1.01 C ATOM 836 O ASP A 53 -12.414 -6.253 -3.369 1.00 74.13 O ATOM 837 CB ASP A 53 -12.854 -3.050 -2.463 1.00 32.30 C ATOM 838 CG ASP A 53 -13.912 -3.312 -3.517 1.00 10.44 C ATOM 839 OD1 ASP A 53 -15.008 -3.791 -3.162 1.00 2.13 O ATOM 840 OD2 ASP A 53 -13.655 -3.031 -4.709 1.00 31.14 O ATOM 0 H ASP A 53 -11.029 -2.998 -0.835 1.00 35.00 H new ATOM 0 HA ASP A 53 -13.028 -4.886 -1.343 1.00 72.05 H new ATOM 0 HB2 ASP A 53 -13.291 -2.465 -1.654 1.00 32.30 H new ATOM 0 HB3 ASP A 53 -12.056 -2.448 -2.897 1.00 32.30 H new ATOM 845 N GLU A 54 -10.605 -4.931 -3.588 1.00 53.00 N ATOM 846 CA GLU A 54 -9.948 -5.784 -4.588 1.00 43.31 C ATOM 847 C GLU A 54 -9.584 -7.153 -3.996 1.00 60.44 C ATOM 848 O GLU A 54 -9.941 -8.202 -4.537 1.00 24.24 O ATOM 849 CB GLU A 54 -8.672 -5.095 -5.100 1.00 74.04 C ATOM 850 CG GLU A 54 -8.926 -3.915 -6.030 1.00 33.13 C ATOM 851 CD GLU A 54 -9.367 -4.356 -7.414 1.00 61.12 C ATOM 852 OE1 GLU A 54 -8.492 -4.671 -8.247 1.00 11.24 O ATOM 853 OE2 GLU A 54 -10.587 -4.403 -7.677 1.00 4.30 O ATOM 0 H GLU A 54 -10.097 -4.073 -3.374 1.00 53.00 H new ATOM 0 HA GLU A 54 -10.645 -5.938 -5.412 1.00 43.31 H new ATOM 0 HB2 GLU A 54 -8.091 -4.750 -4.245 1.00 74.04 H new ATOM 0 HB3 GLU A 54 -8.061 -5.830 -5.624 1.00 74.04 H new ATOM 0 HG2 GLU A 54 -9.691 -3.271 -5.596 1.00 33.13 H new ATOM 0 HG3 GLU A 54 -8.017 -3.319 -6.114 1.00 33.13 H new ATOM 860 N LEU A 55 -8.880 -7.120 -2.871 1.00 12.03 N ATOM 861 CA LEU A 55 -8.399 -8.336 -2.206 1.00 21.10 C ATOM 862 C LEU A 55 -9.554 -9.241 -1.734 1.00 41.34 C ATOM 863 O LEU A 55 -9.387 -10.456 -1.606 1.00 32.23 O ATOM 864 CB LEU A 55 -7.505 -7.937 -1.025 1.00 72.53 C ATOM 865 CG LEU A 55 -6.283 -7.076 -1.402 1.00 53.33 C ATOM 866 CD1 LEU A 55 -5.505 -6.650 -0.159 1.00 71.11 C ATOM 867 CD2 LEU A 55 -5.376 -7.827 -2.375 1.00 71.44 C ATOM 0 H LEU A 55 -8.625 -6.257 -2.392 1.00 12.03 H new ATOM 0 HA LEU A 55 -7.826 -8.918 -2.928 1.00 21.10 H new ATOM 0 HB2 LEU A 55 -8.108 -7.390 -0.300 1.00 72.53 H new ATOM 0 HB3 LEU A 55 -7.155 -8.843 -0.530 1.00 72.53 H new ATOM 0 HG LEU A 55 -6.646 -6.174 -1.895 1.00 53.33 H new ATOM 0 HD11 LEU A 55 -4.649 -6.044 -0.456 1.00 71.11 H new ATOM 0 HD12 LEU A 55 -6.154 -6.066 0.494 1.00 71.11 H new ATOM 0 HD13 LEU A 55 -5.156 -7.535 0.373 1.00 71.11 H new ATOM 0 HD21 LEU A 55 -4.519 -7.203 -2.629 1.00 71.44 H new ATOM 0 HD22 LEU A 55 -5.028 -8.749 -1.910 1.00 71.44 H new ATOM 0 HD23 LEU A 55 -5.933 -8.065 -3.281 1.00 71.44 H new ATOM 879 N GLU A 56 -10.712 -8.642 -1.461 1.00 23.44 N ATOM 880 CA GLU A 56 -11.918 -9.395 -1.087 1.00 71.41 C ATOM 881 C GLU A 56 -12.581 -10.047 -2.316 1.00 61.34 C ATOM 882 O GLU A 56 -13.024 -11.197 -2.260 1.00 0.15 O ATOM 883 CB GLU A 56 -12.926 -8.469 -0.387 1.00 4.24 C ATOM 884 CG GLU A 56 -12.529 -8.050 1.030 1.00 42.01 C ATOM 885 CD GLU A 56 -12.568 -9.204 2.025 1.00 44.24 C ATOM 886 OE1 GLU A 56 -13.524 -10.009 1.965 1.00 45.23 O ATOM 887 OE2 GLU A 56 -11.652 -9.300 2.872 1.00 5.24 O ATOM 0 H GLU A 56 -10.845 -7.631 -1.491 1.00 23.44 H new ATOM 0 HA GLU A 56 -11.614 -10.187 -0.403 1.00 71.41 H new ATOM 0 HB2 GLU A 56 -13.058 -7.573 -0.993 1.00 4.24 H new ATOM 0 HB3 GLU A 56 -13.893 -8.971 -0.346 1.00 4.24 H new ATOM 0 HG2 GLU A 56 -11.524 -7.628 1.010 1.00 42.01 H new ATOM 0 HG3 GLU A 56 -13.199 -7.261 1.371 1.00 42.01 H new ATOM 894 N ALA A 57 -12.666 -9.297 -3.416 1.00 32.44 N ATOM 895 CA ALA A 57 -13.292 -9.789 -4.651 1.00 2.21 C ATOM 896 C ALA A 57 -12.501 -10.951 -5.279 1.00 41.22 C ATOM 897 O ALA A 57 -13.079 -11.945 -5.727 1.00 32.30 O ATOM 898 CB ALA A 57 -13.436 -8.649 -5.651 1.00 31.41 C ATOM 0 H ALA A 57 -12.309 -8.344 -3.480 1.00 32.44 H new ATOM 0 HA ALA A 57 -14.278 -10.172 -4.390 1.00 2.21 H new ATOM 0 HB1 ALA A 57 -13.901 -9.022 -6.564 1.00 31.41 H new ATOM 0 HB2 ALA A 57 -14.059 -7.864 -5.221 1.00 31.41 H new ATOM 0 HB3 ALA A 57 -12.452 -8.244 -5.885 1.00 31.41 H new ATOM 904 N LYS A 58 -11.178 -10.813 -5.314 1.00 63.10 N ATOM 905 CA LYS A 58 -10.304 -11.852 -5.865 1.00 70.32 C ATOM 906 C LYS A 58 -10.261 -13.073 -4.924 1.00 52.14 C ATOM 907 O LYS A 58 -9.518 -13.096 -3.943 1.00 53.40 O ATOM 908 CB LYS A 58 -8.897 -11.282 -6.085 1.00 62.35 C ATOM 909 CG LYS A 58 -8.882 -9.985 -6.892 1.00 25.44 C ATOM 910 CD LYS A 58 -7.474 -9.411 -7.022 1.00 32.15 C ATOM 911 CE LYS A 58 -7.479 -8.035 -7.687 1.00 61.13 C ATOM 912 NZ LYS A 58 -8.183 -8.045 -8.997 1.00 31.22 N ATOM 0 H LYS A 58 -10.684 -9.991 -4.967 1.00 63.10 H new ATOM 0 HA LYS A 58 -10.701 -12.181 -6.825 1.00 70.32 H new ATOM 0 HB2 LYS A 58 -8.431 -11.103 -5.116 1.00 62.35 H new ATOM 0 HB3 LYS A 58 -8.289 -12.027 -6.598 1.00 62.35 H new ATOM 0 HG2 LYS A 58 -9.291 -10.171 -7.885 1.00 25.44 H new ATOM 0 HG3 LYS A 58 -9.530 -9.252 -6.412 1.00 25.44 H new ATOM 0 HD2 LYS A 58 -7.020 -9.335 -6.034 1.00 32.15 H new ATOM 0 HD3 LYS A 58 -6.856 -10.094 -7.605 1.00 32.15 H new ATOM 0 HE2 LYS A 58 -7.959 -7.315 -7.024 1.00 61.13 H new ATOM 0 HE3 LYS A 58 -6.452 -7.700 -7.831 1.00 61.13 H new ATOM 0 HZ1 LYS A 58 -8.031 -7.136 -9.480 1.00 31.22 H new ATOM 0 HZ2 LYS A 58 -7.810 -8.817 -9.586 1.00 31.22 H new ATOM 0 HZ3 LYS A 58 -9.201 -8.189 -8.843 1.00 31.22 H new ATOM 926 N HIS A 59 -11.059 -14.091 -5.242 1.00 13.30 N ATOM 927 CA HIS A 59 -11.312 -15.209 -4.322 1.00 43.41 C ATOM 928 C HIS A 59 -10.109 -16.155 -4.164 1.00 23.11 C ATOM 929 O HIS A 59 -10.052 -16.933 -3.214 1.00 40.13 O ATOM 930 CB HIS A 59 -12.539 -16.003 -4.788 1.00 32.53 C ATOM 931 CG HIS A 59 -13.764 -15.158 -4.954 1.00 62.40 C ATOM 932 ND1 HIS A 59 -14.537 -15.167 -6.095 1.00 65.31 N ATOM 933 CD2 HIS A 59 -14.355 -14.276 -4.114 1.00 4.34 C ATOM 934 CE1 HIS A 59 -15.543 -14.331 -5.953 1.00 43.40 C ATOM 935 NE2 HIS A 59 -15.455 -13.777 -4.763 1.00 74.30 N ATOM 0 H HIS A 59 -11.546 -14.168 -6.135 1.00 13.30 H new ATOM 0 HA HIS A 59 -11.495 -14.768 -3.342 1.00 43.41 H new ATOM 0 HB2 HIS A 59 -12.310 -16.489 -5.737 1.00 32.53 H new ATOM 0 HB3 HIS A 59 -12.747 -16.794 -4.067 1.00 32.53 H new ATOM 0 HD2 HIS A 59 -14.023 -14.015 -3.120 1.00 4.34 H new ATOM 0 HE1 HIS A 59 -16.310 -14.133 -6.688 1.00 43.40 H new ATOM 0 HE2 HIS A 59 -16.102 -13.086 -4.383 1.00 74.30 H new ATOM 944 N TRP A 60 -9.153 -16.103 -5.088 1.00 30.44 N ATOM 945 CA TRP A 60 -7.970 -16.973 -5.006 1.00 64.23 C ATOM 946 C TRP A 60 -6.924 -16.429 -4.011 1.00 60.14 C ATOM 947 O TRP A 60 -5.910 -17.078 -3.747 1.00 23.34 O ATOM 948 CB TRP A 60 -7.351 -17.184 -6.400 1.00 5.03 C ATOM 949 CG TRP A 60 -6.862 -15.927 -7.067 1.00 62.11 C ATOM 950 CD1 TRP A 60 -7.622 -14.977 -7.688 1.00 41.24 C ATOM 951 CD2 TRP A 60 -5.500 -15.499 -7.203 1.00 22.01 C ATOM 952 NE1 TRP A 60 -6.820 -13.983 -8.185 1.00 61.31 N ATOM 953 CE2 TRP A 60 -5.514 -14.278 -7.901 1.00 23.34 C ATOM 954 CE3 TRP A 60 -4.273 -16.025 -6.791 1.00 63.50 C ATOM 955 CZ2 TRP A 60 -4.350 -13.579 -8.202 1.00 33.31 C ATOM 956 CZ3 TRP A 60 -3.117 -15.330 -7.091 1.00 13.32 C ATOM 957 CH2 TRP A 60 -3.163 -14.115 -7.786 1.00 2.14 C ATOM 0 H TRP A 60 -9.167 -15.478 -5.894 1.00 30.44 H new ATOM 0 HA TRP A 60 -8.300 -17.940 -4.627 1.00 64.23 H new ATOM 0 HB2 TRP A 60 -6.517 -17.880 -6.311 1.00 5.03 H new ATOM 0 HB3 TRP A 60 -8.093 -17.656 -7.044 1.00 5.03 H new ATOM 0 HD1 TRP A 60 -8.698 -15.005 -7.775 1.00 41.24 H new ATOM 0 HE1 TRP A 60 -7.144 -13.156 -8.686 1.00 61.31 H new ATOM 0 HE3 TRP A 60 -4.229 -16.958 -6.248 1.00 63.50 H new ATOM 0 HZ2 TRP A 60 -4.383 -12.646 -8.745 1.00 33.31 H new ATOM 0 HZ3 TRP A 60 -2.162 -15.730 -6.784 1.00 13.32 H new ATOM 0 HH2 TRP A 60 -2.243 -13.591 -7.998 1.00 2.14 H new ATOM 968 N ILE A 61 -7.191 -15.248 -3.449 1.00 61.24 N ATOM 969 CA ILE A 61 -6.314 -14.641 -2.436 1.00 1.23 C ATOM 970 C ILE A 61 -6.560 -15.252 -1.042 1.00 14.34 C ATOM 971 O ILE A 61 -7.696 -15.559 -0.676 1.00 62.20 O ATOM 972 CB ILE A 61 -6.512 -13.090 -2.369 1.00 15.15 C ATOM 973 CG1 ILE A 61 -5.781 -12.382 -3.526 1.00 52.41 C ATOM 974 CG2 ILE A 61 -6.040 -12.524 -1.030 1.00 25.23 C ATOM 975 CD1 ILE A 61 -6.175 -12.861 -4.903 1.00 44.44 C ATOM 0 H ILE A 61 -8.012 -14.687 -3.678 1.00 61.24 H new ATOM 0 HA ILE A 61 -5.288 -14.853 -2.736 1.00 1.23 H new ATOM 0 HB ILE A 61 -7.581 -12.901 -2.466 1.00 15.15 H new ATOM 0 HG12 ILE A 61 -5.973 -11.311 -3.459 1.00 52.41 H new ATOM 0 HG13 ILE A 61 -4.707 -12.522 -3.400 1.00 52.41 H new ATOM 0 HG21 ILE A 61 -6.192 -11.445 -1.017 1.00 25.23 H new ATOM 0 HG22 ILE A 61 -6.610 -12.980 -0.221 1.00 25.23 H new ATOM 0 HG23 ILE A 61 -4.981 -12.743 -0.896 1.00 25.23 H new ATOM 0 HD11 ILE A 61 -5.612 -12.309 -5.655 1.00 44.44 H new ATOM 0 HD12 ILE A 61 -5.956 -13.925 -4.995 1.00 44.44 H new ATOM 0 HD13 ILE A 61 -7.242 -12.696 -5.054 1.00 44.44 H new ATOM 987 N ALA A 62 -5.488 -15.432 -0.272 1.00 13.12 N ATOM 988 CA ALA A 62 -5.595 -15.939 1.103 1.00 62.33 C ATOM 989 C ALA A 62 -5.864 -14.798 2.100 1.00 23.23 C ATOM 990 O ALA A 62 -5.328 -13.695 1.951 1.00 52.21 O ATOM 991 CB ALA A 62 -4.321 -16.688 1.482 1.00 4.42 C ATOM 0 H ALA A 62 -4.534 -15.235 -0.573 1.00 13.12 H new ATOM 0 HA ALA A 62 -6.440 -16.626 1.149 1.00 62.33 H new ATOM 0 HB1 ALA A 62 -4.408 -17.061 2.503 1.00 4.42 H new ATOM 0 HB2 ALA A 62 -4.175 -17.526 0.801 1.00 4.42 H new ATOM 0 HB3 ALA A 62 -3.468 -16.013 1.414 1.00 4.42 H new ATOM 997 N GLU A 63 -6.680 -15.069 3.120 1.00 33.21 N ATOM 998 CA GLU A 63 -7.060 -14.047 4.106 1.00 63.44 C ATOM 999 C GLU A 63 -5.831 -13.398 4.763 1.00 22.43 C ATOM 1000 O GLU A 63 -5.627 -12.188 4.652 1.00 2.43 O ATOM 1001 CB GLU A 63 -7.964 -14.658 5.187 1.00 52.44 C ATOM 1002 CG GLU A 63 -8.399 -13.667 6.262 1.00 5.31 C ATOM 1003 CD GLU A 63 -9.242 -14.315 7.349 1.00 12.21 C ATOM 1004 OE1 GLU A 63 -8.666 -14.984 8.232 1.00 11.31 O ATOM 1005 OE2 GLU A 63 -10.482 -14.172 7.318 1.00 12.12 O ATOM 0 H GLU A 63 -7.092 -15.987 3.288 1.00 33.21 H new ATOM 0 HA GLU A 63 -7.605 -13.269 3.572 1.00 63.44 H new ATOM 0 HB2 GLU A 63 -8.851 -15.076 4.711 1.00 52.44 H new ATOM 0 HB3 GLU A 63 -7.437 -15.486 5.662 1.00 52.44 H new ATOM 0 HG2 GLU A 63 -7.516 -13.216 6.713 1.00 5.31 H new ATOM 0 HG3 GLU A 63 -8.968 -12.861 5.799 1.00 5.31 H new ATOM 1012 N ALA A 64 -5.012 -14.207 5.436 1.00 34.13 N ATOM 1013 CA ALA A 64 -3.819 -13.706 6.139 1.00 13.22 C ATOM 1014 C ALA A 64 -2.919 -12.862 5.221 1.00 61.32 C ATOM 1015 O ALA A 64 -2.402 -11.821 5.629 1.00 30.24 O ATOM 1016 CB ALA A 64 -3.029 -14.869 6.733 1.00 34.03 C ATOM 0 H ALA A 64 -5.149 -15.215 5.512 1.00 34.13 H new ATOM 0 HA ALA A 64 -4.163 -13.056 6.944 1.00 13.22 H new ATOM 0 HB1 ALA A 64 -2.150 -14.485 7.250 1.00 34.03 H new ATOM 0 HB2 ALA A 64 -3.657 -15.412 7.439 1.00 34.03 H new ATOM 0 HB3 ALA A 64 -2.716 -15.542 5.934 1.00 34.03 H new ATOM 1022 N ASP A 65 -2.751 -13.312 3.979 1.00 32.23 N ATOM 1023 CA ASP A 65 -1.929 -12.598 2.995 1.00 24.11 C ATOM 1024 C ASP A 65 -2.455 -11.181 2.713 1.00 44.13 C ATOM 1025 O ASP A 65 -1.691 -10.211 2.741 1.00 41.33 O ATOM 1026 CB ASP A 65 -1.857 -13.400 1.694 1.00 64.32 C ATOM 1027 CG ASP A 65 -1.023 -14.657 1.844 1.00 23.05 C ATOM 1028 OD1 ASP A 65 -1.443 -15.570 2.588 1.00 53.11 O ATOM 1029 OD2 ASP A 65 0.057 -14.741 1.221 1.00 64.12 O ATOM 0 H ASP A 65 -3.174 -14.171 3.626 1.00 32.23 H new ATOM 0 HA ASP A 65 -0.930 -12.494 3.419 1.00 24.11 H new ATOM 0 HB2 ASP A 65 -2.865 -13.670 1.379 1.00 64.32 H new ATOM 0 HB3 ASP A 65 -1.433 -12.776 0.907 1.00 64.32 H new ATOM 1034 N ARG A 66 -3.755 -11.055 2.437 1.00 63.44 N ATOM 1035 CA ARG A 66 -4.335 -9.741 2.142 1.00 24.32 C ATOM 1036 C ARG A 66 -4.418 -8.867 3.403 1.00 52.44 C ATOM 1037 O ARG A 66 -4.229 -7.656 3.336 1.00 45.23 O ATOM 1038 CB ARG A 66 -5.710 -9.864 1.459 1.00 62.23 C ATOM 1039 CG ARG A 66 -6.794 -10.561 2.275 1.00 72.30 C ATOM 1040 CD ARG A 66 -8.101 -10.643 1.491 1.00 73.40 C ATOM 1041 NE ARG A 66 -9.140 -11.376 2.204 1.00 3.44 N ATOM 1042 CZ ARG A 66 -10.109 -12.027 1.622 1.00 13.43 C ATOM 1043 NH1 ARG A 66 -10.201 -12.063 0.331 1.00 43.11 N ATOM 1044 NH2 ARG A 66 -10.996 -12.629 2.340 1.00 42.34 N ATOM 0 H ARG A 66 -4.417 -11.831 2.411 1.00 63.44 H new ATOM 0 HA ARG A 66 -3.665 -9.246 1.439 1.00 24.32 H new ATOM 0 HB2 ARG A 66 -6.060 -8.863 1.204 1.00 62.23 H new ATOM 0 HB3 ARG A 66 -5.582 -10.405 0.521 1.00 62.23 H new ATOM 0 HG2 ARG A 66 -6.463 -11.564 2.544 1.00 72.30 H new ATOM 0 HG3 ARG A 66 -6.958 -10.019 3.207 1.00 72.30 H new ATOM 0 HD2 ARG A 66 -8.455 -9.635 1.277 1.00 73.40 H new ATOM 0 HD3 ARG A 66 -7.915 -11.126 0.532 1.00 73.40 H new ATOM 0 HE ARG A 66 -9.107 -11.380 3.223 1.00 3.44 H new ATOM 0 HH11 ARG A 66 -9.511 -11.579 -0.243 1.00 43.11 H new ATOM 0 HH12 ARG A 66 -10.964 -12.576 -0.112 1.00 43.11 H new ATOM 0 HH21 ARG A 66 -10.937 -12.594 3.358 1.00 42.34 H new ATOM 0 HH22 ARG A 66 -11.756 -13.139 1.890 1.00 42.34 H new ATOM 1058 N ILE A 67 -4.675 -9.485 4.554 1.00 15.11 N ATOM 1059 CA ILE A 67 -4.661 -8.763 5.832 1.00 61.34 C ATOM 1060 C ILE A 67 -3.262 -8.189 6.117 1.00 73.33 C ATOM 1061 O ILE A 67 -3.125 -7.043 6.550 1.00 3.32 O ATOM 1062 CB ILE A 67 -5.100 -9.676 7.009 1.00 32.43 C ATOM 1063 CG1 ILE A 67 -6.551 -10.153 6.808 1.00 13.44 C ATOM 1064 CG2 ILE A 67 -4.949 -8.949 8.345 1.00 31.21 C ATOM 1065 CD1 ILE A 67 -7.570 -9.030 6.742 1.00 15.12 C ATOM 0 H ILE A 67 -4.895 -10.478 4.632 1.00 15.11 H new ATOM 0 HA ILE A 67 -5.376 -7.944 5.748 1.00 61.34 H new ATOM 0 HB ILE A 67 -4.450 -10.551 7.026 1.00 32.43 H new ATOM 0 HG12 ILE A 67 -6.607 -10.734 5.887 1.00 13.44 H new ATOM 0 HG13 ILE A 67 -6.818 -10.824 7.625 1.00 13.44 H new ATOM 0 HG21 ILE A 67 -5.262 -9.608 9.155 1.00 31.21 H new ATOM 0 HG22 ILE A 67 -3.906 -8.667 8.490 1.00 31.21 H new ATOM 0 HG23 ILE A 67 -5.571 -8.054 8.344 1.00 31.21 H new ATOM 0 HD11 ILE A 67 -8.566 -9.450 6.599 1.00 15.12 H new ATOM 0 HD12 ILE A 67 -7.546 -8.462 7.672 1.00 15.12 H new ATOM 0 HD13 ILE A 67 -7.331 -8.371 5.907 1.00 15.12 H new ATOM 1077 N ASN A 68 -2.230 -8.992 5.850 1.00 64.11 N ATOM 1078 CA ASN A 68 -0.835 -8.558 6.007 1.00 1.34 C ATOM 1079 C ASN A 68 -0.560 -7.254 5.238 1.00 65.21 C ATOM 1080 O ASN A 68 -0.176 -6.236 5.826 1.00 5.14 O ATOM 1081 CB ASN A 68 0.124 -9.649 5.509 1.00 31.33 C ATOM 1082 CG ASN A 68 1.581 -9.227 5.608 1.00 62.31 C ATOM 1083 OD1 ASN A 68 1.986 -8.571 6.563 1.00 52.22 O ATOM 1084 ND2 ASN A 68 2.374 -9.574 4.614 1.00 44.00 N ATOM 0 H ASN A 68 -2.333 -9.952 5.522 1.00 64.11 H new ATOM 0 HA ASN A 68 -0.668 -8.377 7.069 1.00 1.34 H new ATOM 0 HB2 ASN A 68 -0.029 -10.557 6.092 1.00 31.33 H new ATOM 0 HB3 ASN A 68 -0.112 -9.891 4.473 1.00 31.33 H new ATOM 0 HD21 ASN A 68 3.356 -9.297 4.624 1.00 44.00 H new ATOM 0 HD22 ASN A 68 2.006 -10.120 3.835 1.00 44.00 H new ATOM 1091 N VAL A 69 -0.768 -7.289 3.921 1.00 2.55 N ATOM 1092 CA VAL A 69 -0.504 -6.125 3.070 1.00 11.13 C ATOM 1093 C VAL A 69 -1.400 -4.925 3.443 1.00 61.34 C ATOM 1094 O VAL A 69 -0.984 -3.775 3.318 1.00 13.11 O ATOM 1095 CB VAL A 69 -0.658 -6.460 1.563 1.00 44.52 C ATOM 1096 CG1 VAL A 69 0.330 -7.553 1.152 1.00 54.35 C ATOM 1097 CG2 VAL A 69 -2.090 -6.873 1.228 1.00 3.14 C ATOM 0 H VAL A 69 -1.117 -8.107 3.421 1.00 2.55 H new ATOM 0 HA VAL A 69 0.534 -5.844 3.250 1.00 11.13 H new ATOM 0 HB VAL A 69 -0.432 -5.557 0.996 1.00 44.52 H new ATOM 0 HG11 VAL A 69 0.207 -7.775 0.092 1.00 54.35 H new ATOM 0 HG12 VAL A 69 1.348 -7.211 1.336 1.00 54.35 H new ATOM 0 HG13 VAL A 69 0.139 -8.454 1.735 1.00 54.35 H new ATOM 0 HG21 VAL A 69 -2.164 -7.101 0.165 1.00 3.14 H new ATOM 0 HG22 VAL A 69 -2.359 -7.756 1.808 1.00 3.14 H new ATOM 0 HG23 VAL A 69 -2.771 -6.057 1.472 1.00 3.14 H new ATOM 1107 N LEU A 70 -2.619 -5.197 3.917 1.00 23.21 N ATOM 1108 CA LEU A 70 -3.516 -4.137 4.402 1.00 61.32 C ATOM 1109 C LEU A 70 -2.945 -3.441 5.650 1.00 51.32 C ATOM 1110 O LEU A 70 -2.995 -2.216 5.763 1.00 30.33 O ATOM 1111 CB LEU A 70 -4.910 -4.703 4.714 1.00 14.54 C ATOM 1112 CG LEU A 70 -5.757 -5.089 3.489 1.00 70.44 C ATOM 1113 CD1 LEU A 70 -7.062 -5.746 3.928 1.00 12.55 C ATOM 1114 CD2 LEU A 70 -6.035 -3.866 2.614 1.00 23.45 C ATOM 0 H LEU A 70 -3.009 -6.138 3.976 1.00 23.21 H new ATOM 0 HA LEU A 70 -3.602 -3.397 3.606 1.00 61.32 H new ATOM 0 HB2 LEU A 70 -4.792 -5.584 5.345 1.00 14.54 H new ATOM 0 HB3 LEU A 70 -5.461 -3.965 5.297 1.00 14.54 H new ATOM 0 HG LEU A 70 -5.193 -5.808 2.895 1.00 70.44 H new ATOM 0 HD11 LEU A 70 -7.649 -6.013 3.049 1.00 12.55 H new ATOM 0 HD12 LEU A 70 -6.841 -6.645 4.503 1.00 12.55 H new ATOM 0 HD13 LEU A 70 -7.630 -5.050 4.546 1.00 12.55 H new ATOM 0 HD21 LEU A 70 -6.635 -4.163 1.754 1.00 23.45 H new ATOM 0 HD22 LEU A 70 -6.577 -3.119 3.194 1.00 23.45 H new ATOM 0 HD23 LEU A 70 -5.091 -3.443 2.269 1.00 23.45 H new ATOM 1126 N ASN A 71 -2.407 -4.223 6.584 1.00 13.03 N ATOM 1127 CA ASN A 71 -1.843 -3.668 7.821 1.00 53.41 C ATOM 1128 C ASN A 71 -0.617 -2.784 7.541 1.00 23.10 C ATOM 1129 O ASN A 71 -0.565 -1.630 7.971 1.00 43.45 O ATOM 1130 CB ASN A 71 -1.474 -4.792 8.798 1.00 54.11 C ATOM 1131 CG ASN A 71 -2.697 -5.542 9.298 1.00 61.21 C ATOM 1132 OD1 ASN A 71 -3.792 -4.997 9.350 1.00 22.21 O ATOM 1133 ND2 ASN A 71 -2.520 -6.785 9.694 1.00 0.22 N ATOM 0 H ASN A 71 -2.348 -5.239 6.512 1.00 13.03 H new ATOM 0 HA ASN A 71 -2.610 -3.040 8.276 1.00 53.41 H new ATOM 0 HB2 ASN A 71 -0.797 -5.491 8.306 1.00 54.11 H new ATOM 0 HB3 ASN A 71 -0.936 -4.371 9.647 1.00 54.11 H new ATOM 0 HD21 ASN A 71 -3.308 -7.322 10.057 1.00 0.22 H new ATOM 0 HD22 ASN A 71 -1.595 -7.211 9.638 1.00 0.22 H new ATOM 1140 N GLN A 72 0.360 -3.319 6.806 1.00 12.44 N ATOM 1141 CA GLN A 72 1.564 -2.549 6.460 1.00 11.41 C ATOM 1142 C GLN A 72 1.213 -1.319 5.597 1.00 64.34 C ATOM 1143 O GLN A 72 1.825 -0.258 5.736 1.00 73.03 O ATOM 1144 CB GLN A 72 2.603 -3.439 5.752 1.00 33.20 C ATOM 1145 CG GLN A 72 2.097 -4.110 4.480 1.00 24.34 C ATOM 1146 CD GLN A 72 3.088 -5.108 3.887 1.00 61.53 C ATOM 1147 OE1 GLN A 72 3.851 -5.774 4.736 1.00 3.01 O flip ATOM 1148 NE2 GLN A 72 3.152 -5.292 2.677 1.00 11.23 N flip ATOM 0 H GLN A 72 0.346 -4.271 6.441 1.00 12.44 H new ATOM 0 HA GLN A 72 2.005 -2.188 7.389 1.00 11.41 H new ATOM 0 HB2 GLN A 72 3.475 -2.833 5.506 1.00 33.20 H new ATOM 0 HB3 GLN A 72 2.936 -4.210 6.447 1.00 33.20 H new ATOM 0 HG2 GLN A 72 1.161 -4.624 4.697 1.00 24.34 H new ATOM 0 HG3 GLN A 72 1.875 -3.344 3.737 1.00 24.34 H new ATOM 0 HE21 GLN A 72 2.549 -4.762 2.048 1.00 11.23 H new ATOM 0 HE22 GLN A 72 3.808 -5.975 2.299 1.00 11.23 H new ATOM 1157 N ALA A 73 0.219 -1.463 4.716 1.00 72.35 N ATOM 1158 CA ALA A 73 -0.287 -0.328 3.929 1.00 62.41 C ATOM 1159 C ALA A 73 -0.879 0.754 4.841 1.00 1.50 C ATOM 1160 O ALA A 73 -0.665 1.948 4.625 1.00 10.13 O ATOM 1161 CB ALA A 73 -1.326 -0.797 2.916 1.00 44.54 C ATOM 0 H ALA A 73 -0.251 -2.348 4.528 1.00 72.35 H new ATOM 0 HA ALA A 73 0.554 0.106 3.388 1.00 62.41 H new ATOM 0 HB1 ALA A 73 -1.688 0.057 2.344 1.00 44.54 H new ATOM 0 HB2 ALA A 73 -0.873 -1.521 2.239 1.00 44.54 H new ATOM 0 HB3 ALA A 73 -2.161 -1.263 3.440 1.00 44.54 H new ATOM 1167 N THR A 74 -1.624 0.327 5.865 1.00 51.01 N ATOM 1168 CA THR A 74 -2.167 1.253 6.870 1.00 4.15 C ATOM 1169 C THR A 74 -1.044 2.054 7.538 1.00 30.23 C ATOM 1170 O THR A 74 -1.146 3.269 7.702 1.00 64.11 O ATOM 1171 CB THR A 74 -2.974 0.511 7.968 1.00 73.43 C ATOM 1172 OG1 THR A 74 -4.093 -0.170 7.384 1.00 12.13 O ATOM 1173 CG2 THR A 74 -3.474 1.474 9.044 1.00 71.12 C ATOM 0 H THR A 74 -1.866 -0.651 6.022 1.00 51.01 H new ATOM 0 HA THR A 74 -2.838 1.928 6.339 1.00 4.15 H new ATOM 0 HB THR A 74 -2.305 -0.211 8.436 1.00 73.43 H new ATOM 0 HG1 THR A 74 -3.771 -0.894 6.807 1.00 12.13 H new ATOM 0 HG21 THR A 74 -4.035 0.920 9.796 1.00 71.12 H new ATOM 0 HG22 THR A 74 -2.623 1.966 9.515 1.00 71.12 H new ATOM 0 HG23 THR A 74 -4.121 2.224 8.589 1.00 71.12 H new ATOM 1181 N GLU A 75 0.032 1.364 7.910 1.00 60.44 N ATOM 1182 CA GLU A 75 1.198 2.017 8.513 1.00 14.32 C ATOM 1183 C GLU A 75 1.812 3.066 7.568 1.00 53.44 C ATOM 1184 O GLU A 75 2.250 4.128 8.010 1.00 14.34 O ATOM 1185 CB GLU A 75 2.250 0.971 8.907 1.00 42.11 C ATOM 1186 CG GLU A 75 1.789 0.025 10.011 1.00 12.21 C ATOM 1187 CD GLU A 75 2.868 -0.963 10.433 1.00 51.01 C ATOM 1188 OE1 GLU A 75 3.944 -0.517 10.891 1.00 73.33 O ATOM 1189 OE2 GLU A 75 2.646 -2.186 10.323 1.00 13.22 O ATOM 0 H GLU A 75 0.123 0.353 7.806 1.00 60.44 H new ATOM 0 HA GLU A 75 0.861 2.537 9.410 1.00 14.32 H new ATOM 0 HB2 GLU A 75 2.516 0.386 8.027 1.00 42.11 H new ATOM 0 HB3 GLU A 75 3.155 1.484 9.234 1.00 42.11 H new ATOM 0 HG2 GLU A 75 1.479 0.609 10.878 1.00 12.21 H new ATOM 0 HG3 GLU A 75 0.913 -0.526 9.668 1.00 12.21 H new ATOM 1196 N VAL A 76 1.843 2.767 6.266 1.00 63.24 N ATOM 1197 CA VAL A 76 2.325 3.728 5.261 1.00 23.04 C ATOM 1198 C VAL A 76 1.419 4.974 5.208 1.00 70.15 C ATOM 1199 O VAL A 76 1.901 6.110 5.168 1.00 13.13 O ATOM 1200 CB VAL A 76 2.402 3.089 3.847 1.00 53.02 C ATOM 1201 CG1 VAL A 76 2.881 4.106 2.809 1.00 4.54 C ATOM 1202 CG2 VAL A 76 3.309 1.857 3.852 1.00 44.31 C ATOM 0 H VAL A 76 1.542 1.872 5.881 1.00 63.24 H new ATOM 0 HA VAL A 76 3.329 4.025 5.564 1.00 23.04 H new ATOM 0 HB VAL A 76 1.397 2.771 3.571 1.00 53.02 H new ATOM 0 HG11 VAL A 76 2.926 3.632 1.829 1.00 4.54 H new ATOM 0 HG12 VAL A 76 2.187 4.946 2.775 1.00 4.54 H new ATOM 0 HG13 VAL A 76 3.873 4.466 3.083 1.00 4.54 H new ATOM 0 HG21 VAL A 76 3.346 1.428 2.851 1.00 44.31 H new ATOM 0 HG22 VAL A 76 4.314 2.146 4.160 1.00 44.31 H new ATOM 0 HG23 VAL A 76 2.914 1.118 4.549 1.00 44.31 H new ATOM 1212 N ILE A 77 0.105 4.748 5.214 1.00 60.44 N ATOM 1213 CA ILE A 77 -0.878 5.839 5.234 1.00 41.43 C ATOM 1214 C ILE A 77 -0.714 6.712 6.492 1.00 70.42 C ATOM 1215 O ILE A 77 -0.684 7.943 6.413 1.00 70.11 O ATOM 1216 CB ILE A 77 -2.325 5.279 5.171 1.00 40.10 C ATOM 1217 CG1 ILE A 77 -2.544 4.516 3.851 1.00 72.02 C ATOM 1218 CG2 ILE A 77 -3.353 6.400 5.329 1.00 0.04 C ATOM 1219 CD1 ILE A 77 -3.914 3.877 3.727 1.00 64.11 C ATOM 0 H ILE A 77 -0.308 3.815 5.205 1.00 60.44 H new ATOM 0 HA ILE A 77 -0.698 6.458 4.355 1.00 41.43 H new ATOM 0 HB ILE A 77 -2.461 4.584 5.999 1.00 40.10 H new ATOM 0 HG12 ILE A 77 -2.398 5.203 3.018 1.00 72.02 H new ATOM 0 HG13 ILE A 77 -1.783 3.740 3.761 1.00 72.02 H new ATOM 0 HG21 ILE A 77 -4.358 5.981 5.281 1.00 0.04 H new ATOM 0 HG22 ILE A 77 -3.210 6.892 6.291 1.00 0.04 H new ATOM 0 HG23 ILE A 77 -3.224 7.127 4.527 1.00 0.04 H new ATOM 0 HD11 ILE A 77 -3.989 3.359 2.771 1.00 64.11 H new ATOM 0 HD12 ILE A 77 -4.057 3.163 4.538 1.00 64.11 H new ATOM 0 HD13 ILE A 77 -4.682 4.649 3.783 1.00 64.11 H new ATOM 1231 N ASN A 78 -0.598 6.063 7.650 1.00 23.43 N ATOM 1232 CA ASN A 78 -0.384 6.769 8.918 1.00 32.14 C ATOM 1233 C ASN A 78 0.971 7.491 8.934 1.00 73.11 C ATOM 1234 O ASN A 78 1.104 8.564 9.522 1.00 22.25 O ATOM 1235 CB ASN A 78 -0.460 5.793 10.094 1.00 40.43 C ATOM 1236 CG ASN A 78 -1.805 5.094 10.193 1.00 3.34 C ATOM 1237 OD1 ASN A 78 -2.836 5.626 9.786 1.00 11.01 O ATOM 1238 ND2 ASN A 78 -1.808 3.896 10.740 1.00 74.11 N ATOM 0 H ASN A 78 -0.648 5.048 7.739 1.00 23.43 H new ATOM 0 HA ASN A 78 -1.173 7.514 9.016 1.00 32.14 H new ATOM 0 HB2 ASN A 78 0.326 5.045 9.991 1.00 40.43 H new ATOM 0 HB3 ASN A 78 -0.267 6.333 11.021 1.00 40.43 H new ATOM 0 HD21 ASN A 78 -2.683 3.381 10.836 1.00 74.11 H new ATOM 0 HD22 ASN A 78 -0.935 3.483 11.068 1.00 74.11 H new ATOM 1245 N PHE A 79 1.973 6.891 8.294 1.00 70.14 N ATOM 1246 CA PHE A 79 3.303 7.502 8.178 1.00 5.42 C ATOM 1247 C PHE A 79 3.223 8.833 7.411 1.00 44.51 C ATOM 1248 O PHE A 79 3.709 9.861 7.877 1.00 4.44 O ATOM 1249 CB PHE A 79 4.269 6.539 7.469 1.00 24.23 C ATOM 1250 CG PHE A 79 5.700 7.020 7.418 1.00 14.14 C ATOM 1251 CD1 PHE A 79 6.522 6.906 8.531 1.00 14.23 C ATOM 1252 CD2 PHE A 79 6.221 7.586 6.262 1.00 31.41 C ATOM 1253 CE1 PHE A 79 7.832 7.342 8.490 1.00 23.31 C ATOM 1254 CE2 PHE A 79 7.531 8.023 6.217 1.00 51.51 C ATOM 1255 CZ PHE A 79 8.337 7.902 7.332 1.00 4.20 C ATOM 0 H PHE A 79 1.892 5.979 7.845 1.00 70.14 H new ATOM 0 HA PHE A 79 3.678 7.704 9.181 1.00 5.42 H new ATOM 0 HB2 PHE A 79 4.240 5.575 7.976 1.00 24.23 H new ATOM 0 HB3 PHE A 79 3.917 6.374 6.451 1.00 24.23 H new ATOM 0 HD1 PHE A 79 6.133 6.471 9.440 1.00 14.23 H new ATOM 0 HD2 PHE A 79 5.595 7.686 5.388 1.00 31.41 H new ATOM 0 HE1 PHE A 79 8.461 7.245 9.362 1.00 23.31 H new ATOM 0 HE2 PHE A 79 7.924 8.459 5.311 1.00 51.51 H new ATOM 0 HZ PHE A 79 9.361 8.245 7.299 1.00 4.20 H new ATOM 1265 N TRP A 80 2.589 8.804 6.236 1.00 22.11 N ATOM 1266 CA TRP A 80 2.388 10.017 5.430 1.00 3.43 C ATOM 1267 C TRP A 80 1.582 11.067 6.217 1.00 73.43 C ATOM 1268 O TRP A 80 1.913 12.254 6.218 1.00 22.41 O ATOM 1269 CB TRP A 80 1.671 9.659 4.117 1.00 15.24 C ATOM 1270 CG TRP A 80 1.571 10.800 3.144 1.00 2.43 C ATOM 1271 CD1 TRP A 80 2.522 11.198 2.249 1.00 3.34 C ATOM 1272 CD2 TRP A 80 0.458 11.687 2.967 1.00 75.11 C ATOM 1273 NE1 TRP A 80 2.069 12.274 1.526 1.00 22.14 N ATOM 1274 CE2 TRP A 80 0.806 12.593 1.949 1.00 60.33 C ATOM 1275 CE3 TRP A 80 -0.798 11.803 3.570 1.00 11.40 C ATOM 1276 CZ2 TRP A 80 -0.056 13.600 1.520 1.00 22.45 C ATOM 1277 CZ3 TRP A 80 -1.652 12.802 3.143 1.00 34.53 C ATOM 1278 CH2 TRP A 80 -1.277 13.689 2.129 1.00 21.53 C ATOM 0 H TRP A 80 2.205 7.956 5.819 1.00 22.11 H new ATOM 0 HA TRP A 80 3.362 10.446 5.195 1.00 3.43 H new ATOM 0 HB2 TRP A 80 2.199 8.834 3.640 1.00 15.24 H new ATOM 0 HB3 TRP A 80 0.667 9.303 4.349 1.00 15.24 H new ATOM 0 HD1 TRP A 80 3.490 10.734 2.127 1.00 3.34 H new ATOM 0 HE1 TRP A 80 2.589 12.757 0.793 1.00 22.14 H new ATOM 0 HE3 TRP A 80 -1.095 11.124 4.355 1.00 11.40 H new ATOM 0 HZ2 TRP A 80 0.230 14.285 0.735 1.00 22.45 H new ATOM 0 HZ3 TRP A 80 -2.626 12.899 3.600 1.00 34.53 H new ATOM 0 HH2 TRP A 80 -1.967 14.461 1.820 1.00 21.53 H new ATOM 1289 N GLN A 81 0.524 10.614 6.893 1.00 52.03 N ATOM 1290 CA GLN A 81 -0.278 11.487 7.762 1.00 33.11 C ATOM 1291 C GLN A 81 0.585 12.075 8.896 1.00 2.21 C ATOM 1292 O GLN A 81 0.429 13.237 9.282 1.00 52.00 O ATOM 1293 CB GLN A 81 -1.459 10.698 8.353 1.00 62.50 C ATOM 1294 CG GLN A 81 -2.425 11.541 9.184 1.00 53.34 C ATOM 1295 CD GLN A 81 -3.270 12.481 8.336 1.00 55.12 C ATOM 1296 OE1 GLN A 81 -2.884 13.611 8.057 1.00 2.11 O ATOM 1297 NE2 GLN A 81 -4.434 12.021 7.923 1.00 42.45 N ATOM 0 H GLN A 81 0.200 9.647 6.857 1.00 52.03 H new ATOM 0 HA GLN A 81 -0.662 12.311 7.161 1.00 33.11 H new ATOM 0 HB2 GLN A 81 -2.012 10.230 7.539 1.00 62.50 H new ATOM 0 HB3 GLN A 81 -1.068 9.894 8.976 1.00 62.50 H new ATOM 0 HG2 GLN A 81 -3.082 10.880 9.750 1.00 53.34 H new ATOM 0 HG3 GLN A 81 -1.858 12.125 9.910 1.00 53.34 H new ATOM 0 HE21 GLN A 81 -4.726 11.076 8.172 1.00 42.45 H new ATOM 0 HE22 GLN A 81 -5.042 12.610 7.354 1.00 42.45 H new ATOM 1306 N ASP A 82 1.502 11.255 9.416 1.00 1.44 N ATOM 1307 CA ASP A 82 2.429 11.669 10.477 1.00 60.51 C ATOM 1308 C ASP A 82 3.313 12.841 10.014 1.00 55.21 C ATOM 1309 O ASP A 82 3.514 13.825 10.741 1.00 64.51 O ATOM 1310 CB ASP A 82 3.302 10.474 10.890 1.00 32.52 C ATOM 1311 CG ASP A 82 4.188 10.782 12.078 1.00 11.31 C ATOM 1312 OD1 ASP A 82 3.640 11.027 13.172 1.00 34.32 O ATOM 1313 OD2 ASP A 82 5.433 10.793 11.931 1.00 62.44 O ATOM 0 H ASP A 82 1.624 10.288 9.116 1.00 1.44 H new ATOM 0 HA ASP A 82 1.848 12.008 11.335 1.00 60.51 H new ATOM 0 HB2 ASP A 82 2.660 9.626 11.130 1.00 32.52 H new ATOM 0 HB3 ASP A 82 3.924 10.174 10.046 1.00 32.52 H new ATOM 1318 N LEU A 83 3.824 12.728 8.793 1.00 14.30 N ATOM 1319 CA LEU A 83 4.684 13.755 8.208 1.00 33.13 C ATOM 1320 C LEU A 83 3.939 15.091 8.060 1.00 23.42 C ATOM 1321 O LEU A 83 4.514 16.157 8.272 1.00 71.14 O ATOM 1322 CB LEU A 83 5.202 13.299 6.836 1.00 33.41 C ATOM 1323 CG LEU A 83 5.787 11.877 6.785 1.00 21.53 C ATOM 1324 CD1 LEU A 83 6.400 11.595 5.418 1.00 22.33 C ATOM 1325 CD2 LEU A 83 6.808 11.661 7.899 1.00 70.04 C ATOM 0 H LEU A 83 3.656 11.928 8.183 1.00 14.30 H new ATOM 0 HA LEU A 83 5.527 13.904 8.883 1.00 33.13 H new ATOM 0 HB2 LEU A 83 4.383 13.361 6.119 1.00 33.41 H new ATOM 0 HB3 LEU A 83 5.969 14.000 6.506 1.00 33.41 H new ATOM 0 HG LEU A 83 4.972 11.171 6.943 1.00 21.53 H new ATOM 0 HD11 LEU A 83 6.808 10.584 5.404 1.00 22.33 H new ATOM 0 HD12 LEU A 83 5.633 11.688 4.649 1.00 22.33 H new ATOM 0 HD13 LEU A 83 7.198 12.311 5.222 1.00 22.33 H new ATOM 0 HD21 LEU A 83 7.204 10.647 7.838 1.00 70.04 H new ATOM 0 HD22 LEU A 83 7.623 12.377 7.789 1.00 70.04 H new ATOM 0 HD23 LEU A 83 6.327 11.805 8.866 1.00 70.04 H new ATOM 1337 N LYS A 84 2.653 15.021 7.710 1.00 53.22 N ATOM 1338 CA LYS A 84 1.839 16.223 7.472 1.00 31.02 C ATOM 1339 C LYS A 84 1.733 17.117 8.722 1.00 43.32 C ATOM 1340 O LYS A 84 1.954 18.328 8.648 1.00 2.04 O ATOM 1341 CB LYS A 84 0.428 15.824 7.022 1.00 3.31 C ATOM 1342 CG LYS A 84 -0.466 17.016 6.666 1.00 11.42 C ATOM 1343 CD LYS A 84 -1.945 16.639 6.661 1.00 22.34 C ATOM 1344 CE LYS A 84 -2.252 15.513 5.683 1.00 53.51 C ATOM 1345 NZ LYS A 84 -3.654 15.044 5.819 1.00 33.24 N ATOM 0 H LYS A 84 2.148 14.144 7.584 1.00 53.22 H new ATOM 0 HA LYS A 84 2.340 16.794 6.690 1.00 31.02 H new ATOM 0 HB2 LYS A 84 0.505 15.167 6.155 1.00 3.31 H new ATOM 0 HB3 LYS A 84 -0.048 15.249 7.816 1.00 3.31 H new ATOM 0 HG2 LYS A 84 -0.299 17.821 7.382 1.00 11.42 H new ATOM 0 HG3 LYS A 84 -0.186 17.399 5.685 1.00 11.42 H new ATOM 0 HD2 LYS A 84 -2.244 16.337 7.665 1.00 22.34 H new ATOM 0 HD3 LYS A 84 -2.540 17.515 6.401 1.00 22.34 H new ATOM 0 HE2 LYS A 84 -2.079 15.858 4.663 1.00 53.51 H new ATOM 0 HE3 LYS A 84 -1.570 14.681 5.858 1.00 53.51 H new ATOM 0 HZ1 LYS A 84 -3.932 14.527 4.960 1.00 33.24 H new ATOM 0 HZ2 LYS A 84 -3.731 14.414 6.643 1.00 33.24 H new ATOM 0 HZ3 LYS A 84 -4.283 15.862 5.949 1.00 33.24 H new ATOM 1359 N ASN A 85 1.402 16.524 9.870 1.00 73.15 N ATOM 1360 CA ASN A 85 1.192 17.308 11.096 1.00 31.53 C ATOM 1361 C ASN A 85 2.519 17.779 11.711 1.00 64.34 C ATOM 1362 O ASN A 85 2.555 18.767 12.447 1.00 62.31 O ATOM 1363 CB ASN A 85 0.364 16.527 12.130 1.00 2.10 C ATOM 1364 CG ASN A 85 0.956 15.175 12.485 1.00 31.21 C ATOM 1365 OD1 ASN A 85 0.494 14.132 11.827 1.00 42.41 O flip ATOM 1366 ND2 ASN A 85 1.807 15.061 13.358 1.00 53.53 N flip ATOM 0 H ASN A 85 1.274 15.518 9.980 1.00 73.15 H new ATOM 0 HA ASN A 85 0.627 18.195 10.808 1.00 31.53 H new ATOM 0 HB2 ASN A 85 0.274 17.124 13.037 1.00 2.10 H new ATOM 0 HB3 ASN A 85 -0.644 16.382 11.742 1.00 2.10 H new ATOM 0 HD21 ASN A 85 2.146 15.887 13.851 1.00 53.53 H new ATOM 0 HD22 ASN A 85 2.177 14.140 13.592 1.00 53.53 H new ATOM 1373 N GLN A 86 3.608 17.070 11.416 1.00 65.11 N ATOM 1374 CA GLN A 86 4.943 17.478 11.879 1.00 21.44 C ATOM 1375 C GLN A 86 5.728 18.230 10.791 1.00 45.24 C ATOM 1376 O GLN A 86 6.846 18.689 11.030 1.00 52.43 O ATOM 1377 CB GLN A 86 5.728 16.248 12.343 1.00 2.43 C ATOM 1378 CG GLN A 86 5.096 15.550 13.542 1.00 32.31 C ATOM 1379 CD GLN A 86 5.804 14.266 13.915 1.00 12.53 C ATOM 1380 OE1 GLN A 86 5.410 13.183 13.284 1.00 2.41 O flip ATOM 1381 NE2 GLN A 86 6.709 14.248 14.745 1.00 51.20 N flip ATOM 0 H GLN A 86 3.597 16.214 10.862 1.00 65.11 H new ATOM 0 HA GLN A 86 4.809 18.165 12.714 1.00 21.44 H new ATOM 0 HB2 GLN A 86 5.804 15.541 11.517 1.00 2.43 H new ATOM 0 HB3 GLN A 86 6.744 16.549 12.600 1.00 2.43 H new ATOM 0 HG2 GLN A 86 5.106 16.226 14.397 1.00 32.31 H new ATOM 0 HG3 GLN A 86 4.051 15.332 13.320 1.00 32.31 H new ATOM 0 HE21 GLN A 86 6.987 15.110 15.215 1.00 51.20 H new ATOM 0 HE22 GLN A 86 7.182 13.372 14.965 1.00 51.20 H new ATOM 1390 N ASN A 87 5.132 18.357 9.604 1.00 43.42 N ATOM 1391 CA ASN A 87 5.772 19.028 8.458 1.00 4.22 C ATOM 1392 C ASN A 87 7.102 18.359 8.065 1.00 33.53 C ATOM 1393 O ASN A 87 8.010 19.014 7.544 1.00 12.14 O ATOM 1394 CB ASN A 87 5.989 20.521 8.754 1.00 45.10 C ATOM 1395 CG ASN A 87 4.679 21.267 8.930 1.00 11.53 C ATOM 1396 OD1 ASN A 87 4.160 21.386 10.034 1.00 61.53 O ATOM 1397 ND2 ASN A 87 4.125 21.769 7.843 1.00 51.21 N ATOM 0 H ASN A 87 4.197 18.002 9.405 1.00 43.42 H new ATOM 0 HA ASN A 87 5.094 18.931 7.610 1.00 4.22 H new ATOM 0 HB2 ASN A 87 6.590 20.627 9.657 1.00 45.10 H new ATOM 0 HB3 ASN A 87 6.556 20.972 7.940 1.00 45.10 H new ATOM 0 HD21 ASN A 87 3.240 22.273 7.907 1.00 51.21 H new ATOM 0 HD22 ASN A 87 4.581 21.654 6.938 1.00 51.21 H new ATOM 1404 N LYS A 88 7.200 17.048 8.287 1.00 70.24 N ATOM 1405 CA LYS A 88 8.403 16.290 7.920 1.00 32.12 C ATOM 1406 C LYS A 88 8.577 16.227 6.395 1.00 62.02 C ATOM 1407 O LYS A 88 8.136 15.275 5.746 1.00 13.05 O ATOM 1408 CB LYS A 88 8.350 14.860 8.473 1.00 4.41 C ATOM 1409 CG LYS A 88 8.417 14.745 9.993 1.00 1.22 C ATOM 1410 CD LYS A 88 8.343 13.278 10.418 1.00 13.41 C ATOM 1411 CE LYS A 88 8.467 13.082 11.922 1.00 41.42 C ATOM 1412 NZ LYS A 88 8.234 11.661 12.305 1.00 74.03 N ATOM 0 H LYS A 88 6.465 16.488 8.718 1.00 70.24 H new ATOM 0 HA LYS A 88 9.252 16.814 8.358 1.00 32.12 H new ATOM 0 HB2 LYS A 88 7.429 14.389 8.130 1.00 4.41 H new ATOM 0 HB3 LYS A 88 9.176 14.292 8.045 1.00 4.41 H new ATOM 0 HG2 LYS A 88 9.343 15.190 10.358 1.00 1.22 H new ATOM 0 HG3 LYS A 88 7.596 15.303 10.443 1.00 1.22 H new ATOM 0 HD2 LYS A 88 7.397 12.856 10.080 1.00 13.41 H new ATOM 0 HD3 LYS A 88 9.136 12.722 9.919 1.00 13.41 H new ATOM 0 HE2 LYS A 88 9.459 13.391 12.250 1.00 41.42 H new ATOM 0 HE3 LYS A 88 7.748 13.721 12.434 1.00 41.42 H new ATOM 0 HZ1 LYS A 88 8.457 11.532 13.313 1.00 74.03 H new ATOM 0 HZ2 LYS A 88 7.238 11.415 12.137 1.00 74.03 H new ATOM 0 HZ3 LYS A 88 8.844 11.043 11.733 1.00 74.03 H new ATOM 1426 N GLN A 89 9.197 17.249 5.824 1.00 65.43 N ATOM 1427 CA GLN A 89 9.493 17.263 4.392 1.00 2.21 C ATOM 1428 C GLN A 89 10.693 16.356 4.075 1.00 54.41 C ATOM 1429 O GLN A 89 11.795 16.831 3.798 1.00 74.02 O ATOM 1430 CB GLN A 89 9.747 18.704 3.918 1.00 62.13 C ATOM 1431 CG GLN A 89 8.526 19.610 4.047 1.00 54.34 C ATOM 1432 CD GLN A 89 8.815 21.042 3.630 1.00 64.52 C ATOM 1433 OE1 GLN A 89 8.698 21.394 2.461 1.00 31.35 O ATOM 1434 NE2 GLN A 89 9.185 21.883 4.578 1.00 70.14 N ATOM 0 H GLN A 89 9.506 18.081 6.327 1.00 65.43 H new ATOM 0 HA GLN A 89 8.630 16.872 3.853 1.00 2.21 H new ATOM 0 HB2 GLN A 89 10.568 19.129 4.496 1.00 62.13 H new ATOM 0 HB3 GLN A 89 10.067 18.685 2.876 1.00 62.13 H new ATOM 0 HG2 GLN A 89 7.717 19.213 3.434 1.00 54.34 H new ATOM 0 HG3 GLN A 89 8.178 19.599 5.080 1.00 54.34 H new ATOM 0 HE21 GLN A 89 9.273 21.559 5.541 1.00 70.14 H new ATOM 0 HE22 GLN A 89 9.383 22.857 4.347 1.00 70.14 H new ATOM 1443 N ILE A 90 10.469 15.044 4.152 1.00 23.41 N ATOM 1444 CA ILE A 90 11.528 14.054 3.912 1.00 35.44 C ATOM 1445 C ILE A 90 11.412 13.415 2.516 1.00 2.13 C ATOM 1446 O ILE A 90 10.350 13.445 1.886 1.00 53.23 O ATOM 1447 CB ILE A 90 11.496 12.934 4.986 1.00 32.10 C ATOM 1448 CG1 ILE A 90 10.193 12.120 4.888 1.00 33.41 C ATOM 1449 CG2 ILE A 90 11.652 13.531 6.387 1.00 21.23 C ATOM 1450 CD1 ILE A 90 10.127 10.951 5.850 1.00 61.44 C ATOM 0 H ILE A 90 9.561 14.638 4.379 1.00 23.41 H new ATOM 0 HA ILE A 90 12.475 14.591 3.972 1.00 35.44 H new ATOM 0 HB ILE A 90 12.333 12.260 4.802 1.00 32.10 H new ATOM 0 HG12 ILE A 90 9.348 12.782 5.077 1.00 33.41 H new ATOM 0 HG13 ILE A 90 10.085 11.747 3.870 1.00 33.41 H new ATOM 0 HG21 ILE A 90 11.627 12.732 7.128 1.00 21.23 H new ATOM 0 HG22 ILE A 90 12.603 14.059 6.454 1.00 21.23 H new ATOM 0 HG23 ILE A 90 10.836 14.228 6.578 1.00 21.23 H new ATOM 0 HD11 ILE A 90 9.180 10.427 5.721 1.00 61.44 H new ATOM 0 HD12 ILE A 90 10.951 10.267 5.648 1.00 61.44 H new ATOM 0 HD13 ILE A 90 10.202 11.318 6.874 1.00 61.44 H new ATOM 1462 N SER A 91 12.512 12.837 2.035 1.00 60.30 N ATOM 1463 CA SER A 91 12.529 12.160 0.731 1.00 2.41 C ATOM 1464 C SER A 91 12.100 10.689 0.857 1.00 65.03 C ATOM 1465 O SER A 91 12.143 10.106 1.940 1.00 52.33 O ATOM 1466 CB SER A 91 13.926 12.237 0.097 1.00 44.20 C ATOM 1467 OG SER A 91 14.333 13.584 -0.110 1.00 15.44 O ATOM 0 H SER A 91 13.406 12.822 2.526 1.00 60.30 H new ATOM 0 HA SER A 91 11.815 12.675 0.088 1.00 2.41 H new ATOM 0 HB2 SER A 91 14.647 11.733 0.741 1.00 44.20 H new ATOM 0 HB3 SER A 91 13.924 11.706 -0.855 1.00 44.20 H new ATOM 0 HG SER A 91 15.226 13.598 -0.513 1.00 15.44 H new ATOM 1473 N MET A 92 11.704 10.093 -0.270 1.00 24.32 N ATOM 1474 CA MET A 92 11.221 8.700 -0.306 1.00 15.32 C ATOM 1475 C MET A 92 12.199 7.702 0.350 1.00 32.45 C ATOM 1476 O MET A 92 11.780 6.656 0.851 1.00 50.22 O ATOM 1477 CB MET A 92 10.947 8.275 -1.756 1.00 72.31 C ATOM 1478 CG MET A 92 12.173 8.341 -2.664 1.00 43.34 C ATOM 1479 SD MET A 92 11.828 7.786 -4.345 1.00 44.24 S ATOM 1480 CE MET A 92 11.406 6.066 -4.067 1.00 64.43 C ATOM 0 H MET A 92 11.707 10.554 -1.180 1.00 24.32 H new ATOM 0 HA MET A 92 10.300 8.675 0.276 1.00 15.32 H new ATOM 0 HB2 MET A 92 10.560 7.256 -1.758 1.00 72.31 H new ATOM 0 HB3 MET A 92 10.166 8.913 -2.170 1.00 72.31 H new ATOM 0 HG2 MET A 92 12.543 9.366 -2.693 1.00 43.34 H new ATOM 0 HG3 MET A 92 12.967 7.727 -2.239 1.00 43.34 H new ATOM 0 HE1 MET A 92 11.498 5.513 -5.002 1.00 64.43 H new ATOM 0 HE2 MET A 92 12.083 5.641 -3.326 1.00 64.43 H new ATOM 0 HE3 MET A 92 10.381 5.997 -3.704 1.00 64.43 H new ATOM 1490 N ALA A 93 13.493 8.020 0.338 1.00 21.13 N ATOM 1491 CA ALA A 93 14.516 7.142 0.921 1.00 4.53 C ATOM 1492 C ALA A 93 14.207 6.796 2.387 1.00 2.45 C ATOM 1493 O ALA A 93 14.197 5.625 2.771 1.00 52.50 O ATOM 1494 CB ALA A 93 15.891 7.791 0.810 1.00 51.51 C ATOM 0 H ALA A 93 13.862 8.880 -0.069 1.00 21.13 H new ATOM 0 HA ALA A 93 14.511 6.210 0.356 1.00 4.53 H new ATOM 0 HB1 ALA A 93 16.641 7.131 1.245 1.00 51.51 H new ATOM 0 HB2 ALA A 93 16.127 7.966 -0.240 1.00 51.51 H new ATOM 0 HB3 ALA A 93 15.889 8.741 1.345 1.00 51.51 H new ATOM 1500 N GLU A 94 13.935 7.820 3.196 1.00 52.12 N ATOM 1501 CA GLU A 94 13.624 7.618 4.617 1.00 35.43 C ATOM 1502 C GLU A 94 12.334 6.804 4.804 1.00 61.55 C ATOM 1503 O GLU A 94 12.220 6.010 5.739 1.00 14.31 O ATOM 1504 CB GLU A 94 13.519 8.966 5.339 1.00 10.45 C ATOM 1505 CG GLU A 94 14.826 9.754 5.349 1.00 50.02 C ATOM 1506 CD GLU A 94 14.766 10.985 6.235 1.00 62.31 C ATOM 1507 OE1 GLU A 94 14.602 10.826 7.463 1.00 25.42 O ATOM 1508 OE2 GLU A 94 14.913 12.115 5.721 1.00 62.13 O ATOM 0 H GLU A 94 13.923 8.795 2.896 1.00 52.12 H new ATOM 0 HA GLU A 94 14.441 7.046 5.057 1.00 35.43 H new ATOM 0 HB2 GLU A 94 12.745 9.566 4.860 1.00 10.45 H new ATOM 0 HB3 GLU A 94 13.199 8.795 6.367 1.00 10.45 H new ATOM 0 HG2 GLU A 94 15.633 9.106 5.691 1.00 50.02 H new ATOM 0 HG3 GLU A 94 15.070 10.057 4.331 1.00 50.02 H new ATOM 1515 N ALA A 95 11.373 6.989 3.900 1.00 22.32 N ATOM 1516 CA ALA A 95 10.138 6.197 3.917 1.00 25.45 C ATOM 1517 C ALA A 95 10.448 4.701 3.737 1.00 11.52 C ATOM 1518 O ALA A 95 9.864 3.843 4.407 1.00 71.02 O ATOM 1519 CB ALA A 95 9.179 6.685 2.834 1.00 20.40 C ATOM 0 H ALA A 95 11.423 7.677 3.148 1.00 22.32 H new ATOM 0 HA ALA A 95 9.658 6.328 4.887 1.00 25.45 H new ATOM 0 HB1 ALA A 95 8.268 6.088 2.859 1.00 20.40 H new ATOM 0 HB2 ALA A 95 8.932 7.732 3.011 1.00 20.40 H new ATOM 0 HB3 ALA A 95 9.652 6.584 1.857 1.00 20.40 H new ATOM 1525 N GLN A 96 11.394 4.398 2.842 1.00 53.23 N ATOM 1526 CA GLN A 96 11.847 3.018 2.622 1.00 2.10 C ATOM 1527 C GLN A 96 12.693 2.513 3.802 1.00 43.12 C ATOM 1528 O GLN A 96 12.935 1.312 3.936 1.00 43.32 O ATOM 1529 CB GLN A 96 12.653 2.915 1.318 1.00 22.25 C ATOM 1530 CG GLN A 96 11.863 3.316 0.076 1.00 44.23 C ATOM 1531 CD GLN A 96 12.558 2.936 -1.222 1.00 55.55 C ATOM 1532 OE1 GLN A 96 13.325 3.707 -1.790 1.00 50.25 O ATOM 1533 NE2 GLN A 96 12.294 1.734 -1.700 1.00 41.44 N ATOM 0 H GLN A 96 11.862 5.090 2.257 1.00 53.23 H new ATOM 0 HA GLN A 96 10.960 2.389 2.543 1.00 2.10 H new ATOM 0 HB2 GLN A 96 13.536 3.549 1.396 1.00 22.25 H new ATOM 0 HB3 GLN A 96 13.005 1.890 1.199 1.00 22.25 H new ATOM 0 HG2 GLN A 96 10.882 2.842 0.108 1.00 44.23 H new ATOM 0 HG3 GLN A 96 11.697 4.393 0.090 1.00 44.23 H new ATOM 0 HE21 GLN A 96 11.651 1.117 -1.203 1.00 41.44 H new ATOM 0 HE22 GLN A 96 12.733 1.422 -2.566 1.00 41.44 H new ATOM 1542 N GLY A 97 13.157 3.438 4.641 1.00 53.32 N ATOM 1543 CA GLY A 97 13.874 3.065 5.856 1.00 34.25 C ATOM 1544 C GLY A 97 12.955 2.440 6.903 1.00 45.34 C ATOM 1545 O GLY A 97 13.376 1.586 7.685 1.00 42.30 O ATOM 0 H GLY A 97 13.050 4.443 4.502 1.00 53.32 H new ATOM 0 HA2 GLY A 97 14.667 2.361 5.605 1.00 34.25 H new ATOM 0 HA3 GLY A 97 14.354 3.948 6.278 1.00 34.25 H new ATOM 1549 N LYS A 98 11.696 2.879 6.920 1.00 22.04 N ATOM 1550 CA LYS A 98 10.689 2.333 7.839 1.00 32.34 C ATOM 1551 C LYS A 98 9.989 1.114 7.205 1.00 24.23 C ATOM 1552 O LYS A 98 9.550 0.199 7.906 1.00 20.24 O ATOM 1553 CB LYS A 98 9.668 3.434 8.205 1.00 21.13 C ATOM 1554 CG LYS A 98 8.990 3.263 9.573 1.00 35.55 C ATOM 1555 CD LYS A 98 7.906 2.182 9.580 1.00 70.02 C ATOM 1556 CE LYS A 98 7.218 2.076 10.942 1.00 35.34 C ATOM 1557 NZ LYS A 98 6.095 1.099 10.935 1.00 42.33 N ATOM 0 H LYS A 98 11.345 3.614 6.306 1.00 22.04 H new ATOM 0 HA LYS A 98 11.179 1.998 8.753 1.00 32.34 H new ATOM 0 HB2 LYS A 98 10.175 4.399 8.186 1.00 21.13 H new ATOM 0 HB3 LYS A 98 8.897 3.463 7.435 1.00 21.13 H new ATOM 0 HG2 LYS A 98 9.747 3.014 10.317 1.00 35.55 H new ATOM 0 HG3 LYS A 98 8.548 4.213 9.873 1.00 35.55 H new ATOM 0 HD2 LYS A 98 7.164 2.407 8.814 1.00 70.02 H new ATOM 0 HD3 LYS A 98 8.350 1.221 9.321 1.00 70.02 H new ATOM 0 HE2 LYS A 98 7.950 1.779 11.694 1.00 35.34 H new ATOM 0 HE3 LYS A 98 6.841 3.057 11.233 1.00 35.34 H new ATOM 0 HZ1 LYS A 98 5.661 1.063 11.879 1.00 42.33 H new ATOM 0 HZ2 LYS A 98 5.382 1.394 10.237 1.00 42.33 H new ATOM 0 HZ3 LYS A 98 6.456 0.157 10.684 1.00 42.33 H new ATOM 1571 N PHE A 99 9.895 1.106 5.871 1.00 40.10 N ATOM 1572 CA PHE A 99 9.280 -0.009 5.135 1.00 51.25 C ATOM 1573 C PHE A 99 10.232 -0.562 4.052 1.00 24.52 C ATOM 1574 O PHE A 99 10.044 -0.312 2.860 1.00 60.14 O ATOM 1575 CB PHE A 99 7.962 0.446 4.488 1.00 32.31 C ATOM 1576 CG PHE A 99 6.982 1.061 5.454 1.00 4.11 C ATOM 1577 CD1 PHE A 99 6.183 0.261 6.258 1.00 42.14 C ATOM 1578 CD2 PHE A 99 6.860 2.441 5.559 1.00 33.43 C ATOM 1579 CE1 PHE A 99 5.286 0.823 7.143 1.00 74.53 C ATOM 1580 CE2 PHE A 99 5.963 3.007 6.443 1.00 44.55 C ATOM 1581 CZ PHE A 99 5.176 2.197 7.236 1.00 63.54 C ATOM 0 H PHE A 99 10.237 1.860 5.276 1.00 40.10 H new ATOM 0 HA PHE A 99 9.077 -0.808 5.848 1.00 51.25 H new ATOM 0 HB2 PHE A 99 8.185 1.170 3.704 1.00 32.31 H new ATOM 0 HB3 PHE A 99 7.491 -0.411 4.006 1.00 32.31 H new ATOM 0 HD1 PHE A 99 6.264 -0.814 6.190 1.00 42.14 H new ATOM 0 HD2 PHE A 99 7.475 3.079 4.941 1.00 33.43 H new ATOM 0 HE1 PHE A 99 4.670 0.189 7.763 1.00 74.53 H new ATOM 0 HE2 PHE A 99 5.877 4.081 6.514 1.00 44.55 H new ATOM 0 HZ PHE A 99 4.474 2.637 7.929 1.00 63.54 H new ATOM 1591 N PRO A 100 11.260 -1.339 4.451 1.00 52.14 N ATOM 1592 CA PRO A 100 12.292 -1.833 3.518 1.00 34.41 C ATOM 1593 C PRO A 100 11.768 -2.888 2.525 1.00 51.41 C ATOM 1594 O PRO A 100 12.373 -3.124 1.479 1.00 40.21 O ATOM 1595 CB PRO A 100 13.348 -2.441 4.457 1.00 72.45 C ATOM 1596 CG PRO A 100 12.583 -2.836 5.674 1.00 20.50 C ATOM 1597 CD PRO A 100 11.504 -1.799 5.836 1.00 3.10 C ATOM 0 HA PRO A 100 12.669 -1.035 2.878 1.00 34.41 H new ATOM 0 HB2 PRO A 100 13.838 -3.301 4.000 1.00 72.45 H new ATOM 0 HB3 PRO A 100 14.129 -1.719 4.696 1.00 72.45 H new ATOM 0 HG2 PRO A 100 12.154 -3.832 5.560 1.00 20.50 H new ATOM 0 HG3 PRO A 100 13.231 -2.866 6.550 1.00 20.50 H new ATOM 0 HD2 PRO A 100 10.604 -2.222 6.283 1.00 3.10 H new ATOM 0 HD3 PRO A 100 11.826 -0.981 6.480 1.00 3.10 H new ATOM 1605 N GLU A 101 10.643 -3.524 2.851 1.00 21.25 N ATOM 1606 CA GLU A 101 10.070 -4.567 1.989 1.00 23.53 C ATOM 1607 C GLU A 101 9.057 -3.995 0.982 1.00 1.51 C ATOM 1608 O GLU A 101 8.646 -4.686 0.045 1.00 14.24 O ATOM 1609 CB GLU A 101 9.404 -5.656 2.840 1.00 33.21 C ATOM 1610 CG GLU A 101 10.357 -6.349 3.810 1.00 33.31 C ATOM 1611 CD GLU A 101 9.721 -7.536 4.513 1.00 13.51 C ATOM 1612 OE1 GLU A 101 9.037 -7.333 5.540 1.00 32.43 O ATOM 1613 OE2 GLU A 101 9.904 -8.680 4.038 1.00 31.41 O ATOM 0 H GLU A 101 10.110 -3.339 3.701 1.00 21.25 H new ATOM 0 HA GLU A 101 10.892 -5.002 1.420 1.00 23.53 H new ATOM 0 HB2 GLU A 101 8.585 -5.212 3.405 1.00 33.21 H new ATOM 0 HB3 GLU A 101 8.966 -6.404 2.179 1.00 33.21 H new ATOM 0 HG2 GLU A 101 11.240 -6.685 3.267 1.00 33.31 H new ATOM 0 HG3 GLU A 101 10.696 -5.630 4.556 1.00 33.31 H new ATOM 1620 N VAL A 102 8.673 -2.731 1.160 1.00 4.41 N ATOM 1621 CA VAL A 102 7.670 -2.097 0.295 1.00 72.12 C ATOM 1622 C VAL A 102 8.328 -1.359 -0.883 1.00 44.22 C ATOM 1623 O VAL A 102 9.292 -0.613 -0.704 1.00 65.35 O ATOM 1624 CB VAL A 102 6.789 -1.111 1.104 1.00 22.53 C ATOM 1625 CG1 VAL A 102 5.763 -0.429 0.204 1.00 63.30 C ATOM 1626 CG2 VAL A 102 6.102 -1.834 2.264 1.00 4.45 C ATOM 0 H VAL A 102 9.039 -2.124 1.894 1.00 4.41 H new ATOM 0 HA VAL A 102 7.040 -2.891 -0.106 1.00 72.12 H new ATOM 0 HB VAL A 102 7.436 -0.337 1.517 1.00 22.53 H new ATOM 0 HG11 VAL A 102 5.158 0.257 0.797 1.00 63.30 H new ATOM 0 HG12 VAL A 102 6.278 0.126 -0.580 1.00 63.30 H new ATOM 0 HG13 VAL A 102 5.118 -1.182 -0.249 1.00 63.30 H new ATOM 0 HG21 VAL A 102 5.488 -1.127 2.821 1.00 4.45 H new ATOM 0 HG22 VAL A 102 5.472 -2.632 1.873 1.00 4.45 H new ATOM 0 HG23 VAL A 102 6.857 -2.259 2.926 1.00 4.45 H new ATOM 1636 N VAL A 103 7.803 -1.573 -2.090 1.00 55.42 N ATOM 1637 CA VAL A 103 8.365 -0.968 -3.306 1.00 2.54 C ATOM 1638 C VAL A 103 7.757 0.419 -3.582 1.00 21.02 C ATOM 1639 O VAL A 103 6.618 0.536 -4.034 1.00 34.14 O ATOM 1640 CB VAL A 103 8.141 -1.876 -4.544 1.00 41.05 C ATOM 1641 CG1 VAL A 103 8.773 -1.265 -5.797 1.00 13.44 C ATOM 1642 CG2 VAL A 103 8.684 -3.281 -4.291 1.00 70.31 C ATOM 0 H VAL A 103 6.987 -2.162 -2.256 1.00 55.42 H new ATOM 0 HA VAL A 103 9.435 -0.857 -3.132 1.00 2.54 H new ATOM 0 HB VAL A 103 7.067 -1.952 -4.715 1.00 41.05 H new ATOM 0 HG11 VAL A 103 8.601 -1.923 -6.649 1.00 13.44 H new ATOM 0 HG12 VAL A 103 8.324 -0.291 -5.993 1.00 13.44 H new ATOM 0 HG13 VAL A 103 9.845 -1.145 -5.642 1.00 13.44 H new ATOM 0 HG21 VAL A 103 8.516 -3.900 -5.172 1.00 70.31 H new ATOM 0 HG22 VAL A 103 9.753 -3.226 -4.084 1.00 70.31 H new ATOM 0 HG23 VAL A 103 8.171 -3.721 -3.436 1.00 70.31 H new ATOM 1652 N PHE A 104 8.522 1.470 -3.310 1.00 31.23 N ATOM 1653 CA PHE A 104 8.065 2.843 -3.555 1.00 25.33 C ATOM 1654 C PHE A 104 8.372 3.293 -4.994 1.00 3.21 C ATOM 1655 O PHE A 104 9.221 2.715 -5.675 1.00 33.23 O ATOM 1656 CB PHE A 104 8.717 3.810 -2.554 1.00 75.44 C ATOM 1657 CG PHE A 104 8.256 3.619 -1.129 1.00 30.32 C ATOM 1658 CD1 PHE A 104 8.613 2.484 -0.417 1.00 32.01 C ATOM 1659 CD2 PHE A 104 7.472 4.577 -0.501 1.00 44.51 C ATOM 1660 CE1 PHE A 104 8.201 2.309 0.888 1.00 42.40 C ATOM 1661 CE2 PHE A 104 7.057 4.405 0.806 1.00 51.40 C ATOM 1662 CZ PHE A 104 7.422 3.270 1.501 1.00 55.02 C ATOM 0 H PHE A 104 9.462 1.403 -2.920 1.00 31.23 H new ATOM 0 HA PHE A 104 6.984 2.859 -3.420 1.00 25.33 H new ATOM 0 HB2 PHE A 104 9.799 3.685 -2.595 1.00 75.44 H new ATOM 0 HB3 PHE A 104 8.503 4.834 -2.861 1.00 75.44 H new ATOM 0 HD1 PHE A 104 9.221 1.727 -0.890 1.00 32.01 H new ATOM 0 HD2 PHE A 104 7.183 5.467 -1.040 1.00 44.51 H new ATOM 0 HE1 PHE A 104 8.488 1.420 1.430 1.00 42.40 H new ATOM 0 HE2 PHE A 104 6.448 5.158 1.283 1.00 51.40 H new ATOM 0 HZ PHE A 104 7.099 3.134 2.522 1.00 55.02 H new ATOM 1672 N SER A 105 7.671 4.328 -5.444 1.00 3.12 N ATOM 1673 CA SER A 105 7.871 4.890 -6.788 1.00 34.21 C ATOM 1674 C SER A 105 7.891 6.421 -6.744 1.00 11.43 C ATOM 1675 O SER A 105 6.933 7.050 -6.285 1.00 53.11 O ATOM 1676 CB SER A 105 6.764 4.417 -7.740 1.00 72.35 C ATOM 1677 OG SER A 105 6.930 4.963 -9.040 1.00 15.23 O ATOM 0 H SER A 105 6.952 4.803 -4.898 1.00 3.12 H new ATOM 0 HA SER A 105 8.834 4.537 -7.156 1.00 34.21 H new ATOM 0 HB2 SER A 105 6.772 3.329 -7.797 1.00 72.35 H new ATOM 0 HB3 SER A 105 5.792 4.708 -7.343 1.00 72.35 H new ATOM 0 HG SER A 105 6.211 4.642 -9.624 1.00 15.23 H new ATOM 1683 N GLY A 106 8.993 7.017 -7.204 1.00 42.21 N ATOM 1684 CA GLY A 106 9.120 8.474 -7.210 1.00 13.13 C ATOM 1685 C GLY A 106 9.491 9.046 -8.580 1.00 71.12 C ATOM 1686 O GLY A 106 10.673 9.222 -8.893 1.00 51.12 O ATOM 0 H GLY A 106 9.802 6.518 -7.574 1.00 42.21 H new ATOM 0 HA2 GLY A 106 8.178 8.915 -6.883 1.00 13.13 H new ATOM 0 HA3 GLY A 106 9.878 8.768 -6.484 1.00 13.13 H new ATOM 1690 N SER A 107 8.480 9.355 -9.395 1.00 70.10 N ATOM 1691 CA SER A 107 8.701 9.940 -10.729 1.00 2.32 C ATOM 1692 C SER A 107 7.402 10.510 -11.310 1.00 32.31 C ATOM 1693 O SER A 107 6.331 10.388 -10.711 1.00 24.20 O ATOM 1694 CB SER A 107 9.285 8.898 -11.698 1.00 10.53 C ATOM 1695 OG SER A 107 9.566 9.471 -12.969 1.00 12.43 O ATOM 0 H SER A 107 7.498 9.212 -9.159 1.00 70.10 H new ATOM 0 HA SER A 107 9.416 10.754 -10.609 1.00 2.32 H new ATOM 0 HB2 SER A 107 10.198 8.479 -11.276 1.00 10.53 H new ATOM 0 HB3 SER A 107 8.581 8.074 -11.816 1.00 10.53 H new ATOM 0 HG SER A 107 9.937 8.785 -13.562 1.00 12.43 H new ATOM 1701 N ASN A 108 7.502 11.129 -12.482 1.00 62.23 N ATOM 1702 CA ASN A 108 6.341 11.721 -13.154 1.00 74.25 C ATOM 1703 C ASN A 108 5.749 10.752 -14.190 1.00 64.40 C ATOM 1704 O ASN A 108 6.442 9.870 -14.699 1.00 54.54 O ATOM 1705 CB ASN A 108 6.746 13.039 -13.830 1.00 14.32 C ATOM 1706 CG ASN A 108 5.573 13.765 -14.469 1.00 1.50 C ATOM 1707 OD1 ASN A 108 4.438 13.669 -14.010 1.00 32.44 O ATOM 1708 ND2 ASN A 108 5.831 14.494 -15.534 1.00 2.14 N ATOM 0 H ASN A 108 8.379 11.236 -12.992 1.00 62.23 H new ATOM 0 HA ASN A 108 5.575 11.922 -12.405 1.00 74.25 H new ATOM 0 HB2 ASN A 108 7.211 13.692 -13.091 1.00 14.32 H new ATOM 0 HB3 ASN A 108 7.498 12.834 -14.592 1.00 14.32 H new ATOM 0 HD21 ASN A 108 5.078 14.999 -16.001 1.00 2.14 H new ATOM 0 HD22 ASN A 108 6.784 14.554 -15.892 1.00 2.14 H new ATOM 1715 N LEU A 109 4.466 10.918 -14.494 1.00 22.11 N ATOM 1716 CA LEU A 109 3.782 10.074 -15.485 1.00 32.51 C ATOM 1717 C LEU A 109 3.833 10.697 -16.892 1.00 42.11 C ATOM 1718 O LEU A 109 4.049 11.901 -17.042 1.00 23.43 O ATOM 1719 CB LEU A 109 2.326 9.809 -15.044 1.00 30.31 C ATOM 1720 CG LEU A 109 1.559 11.018 -14.460 1.00 24.22 C ATOM 1721 CD1 LEU A 109 1.279 12.082 -15.517 1.00 61.20 C ATOM 1722 CD2 LEU A 109 0.260 10.565 -13.798 1.00 62.14 C ATOM 0 H LEU A 109 3.871 11.630 -14.070 1.00 22.11 H new ATOM 0 HA LEU A 109 4.307 9.120 -15.539 1.00 32.51 H new ATOM 0 HB2 LEU A 109 1.771 9.434 -15.903 1.00 30.31 H new ATOM 0 HB3 LEU A 109 2.333 9.015 -14.298 1.00 30.31 H new ATOM 0 HG LEU A 109 2.199 11.471 -13.703 1.00 24.22 H new ATOM 0 HD11 LEU A 109 0.739 12.913 -15.063 1.00 61.20 H new ATOM 0 HD12 LEU A 109 2.222 12.444 -15.928 1.00 61.20 H new ATOM 0 HD13 LEU A 109 0.676 11.651 -16.316 1.00 61.20 H new ATOM 0 HD21 LEU A 109 -0.264 11.431 -13.394 1.00 62.14 H new ATOM 0 HD22 LEU A 109 -0.372 10.071 -14.536 1.00 62.14 H new ATOM 0 HD23 LEU A 109 0.487 9.869 -12.990 1.00 62.14 H new ATOM 1734 N GLU A 110 3.634 9.873 -17.922 1.00 4.33 N ATOM 1735 CA GLU A 110 3.684 10.347 -19.313 1.00 72.21 C ATOM 1736 C GLU A 110 2.421 11.132 -19.698 1.00 54.40 C ATOM 1737 O GLU A 110 2.496 12.294 -20.102 1.00 11.44 O ATOM 1738 CB GLU A 110 3.871 9.168 -20.277 1.00 42.11 C ATOM 1739 CG GLU A 110 5.190 8.426 -20.093 1.00 12.11 C ATOM 1740 CD GLU A 110 5.354 7.266 -21.062 1.00 43.42 C ATOM 1741 OE1 GLU A 110 5.820 7.495 -22.198 1.00 62.41 O ATOM 1742 OE2 GLU A 110 5.009 6.124 -20.693 1.00 74.10 O ATOM 0 H GLU A 110 3.437 8.877 -17.824 1.00 4.33 H new ATOM 0 HA GLU A 110 4.537 11.021 -19.391 1.00 72.21 H new ATOM 0 HB2 GLU A 110 3.048 8.466 -20.142 1.00 42.11 H new ATOM 0 HB3 GLU A 110 3.811 9.535 -21.301 1.00 42.11 H new ATOM 0 HG2 GLU A 110 6.016 9.124 -20.227 1.00 12.11 H new ATOM 0 HG3 GLU A 110 5.251 8.051 -19.071 1.00 12.11 H new ATOM 1749 N HIS A 111 1.260 10.493 -19.574 1.00 74.13 N ATOM 1750 CA HIS A 111 -0.010 11.106 -19.976 1.00 62.35 C ATOM 1751 C HIS A 111 -0.740 11.726 -18.773 1.00 32.13 C ATOM 1752 O HIS A 111 -1.404 11.025 -18.003 1.00 31.13 O ATOM 1753 CB HIS A 111 -0.900 10.062 -20.664 1.00 53.51 C ATOM 1754 CG HIS A 111 -0.246 9.406 -21.844 1.00 11.24 C ATOM 1755 ND1 HIS A 111 0.248 8.118 -21.812 1.00 55.24 N ATOM 1756 CD2 HIS A 111 0.010 9.866 -23.093 1.00 61.13 C ATOM 1757 CE1 HIS A 111 0.778 7.818 -22.979 1.00 35.31 C ATOM 1758 NE2 HIS A 111 0.646 8.858 -23.775 1.00 64.10 N ATOM 0 H HIS A 111 1.169 9.549 -19.198 1.00 74.13 H new ATOM 0 HA HIS A 111 0.208 11.910 -20.679 1.00 62.35 H new ATOM 0 HB2 HIS A 111 -1.176 9.296 -19.939 1.00 53.51 H new ATOM 0 HB3 HIS A 111 -1.824 10.541 -20.990 1.00 53.51 H new ATOM 0 HD2 HIS A 111 -0.240 10.843 -23.480 1.00 61.13 H new ATOM 0 HE1 HIS A 111 1.242 6.878 -23.239 1.00 35.31 H new ATOM 0 HE2 HIS A 111 0.965 8.907 -24.743 1.00 64.10 H new ATOM 1767 N HIS A 112 -0.587 13.039 -18.603 1.00 22.33 N ATOM 1768 CA HIS A 112 -1.266 13.774 -17.525 1.00 44.03 C ATOM 1769 C HIS A 112 -2.795 13.763 -17.707 1.00 65.12 C ATOM 1770 O HIS A 112 -3.302 14.062 -18.788 1.00 74.44 O ATOM 1771 CB HIS A 112 -0.749 15.222 -17.460 1.00 42.24 C ATOM 1772 CG HIS A 112 -0.909 15.988 -18.744 1.00 41.10 C ATOM 1773 ND1 HIS A 112 -2.108 16.535 -19.153 1.00 22.12 N ATOM 1774 CD2 HIS A 112 -0.013 16.301 -19.712 1.00 2.33 C ATOM 1775 CE1 HIS A 112 -1.945 17.145 -20.308 1.00 43.12 C ATOM 1776 NE2 HIS A 112 -0.684 17.021 -20.672 1.00 34.50 N ATOM 0 H HIS A 112 0.002 13.621 -19.198 1.00 22.33 H new ATOM 0 HA HIS A 112 -1.039 13.270 -16.586 1.00 44.03 H new ATOM 0 HB2 HIS A 112 -1.277 15.750 -16.666 1.00 42.24 H new ATOM 0 HB3 HIS A 112 0.306 15.208 -17.187 1.00 42.24 H new ATOM 0 HD2 HIS A 112 1.033 16.034 -19.726 1.00 2.33 H new ATOM 0 HE1 HIS A 112 -2.715 17.660 -20.864 1.00 43.12 H new ATOM 0 HE2 HIS A 112 -0.273 17.398 -21.526 1.00 34.50 H new ATOM 1785 N HIS A 113 -3.525 13.426 -16.644 1.00 12.31 N ATOM 1786 CA HIS A 113 -4.990 13.331 -16.712 1.00 34.21 C ATOM 1787 C HIS A 113 -5.671 14.676 -16.392 1.00 32.12 C ATOM 1788 O HIS A 113 -5.142 15.492 -15.638 1.00 73.35 O ATOM 1789 CB HIS A 113 -5.503 12.236 -15.763 1.00 22.14 C ATOM 1790 CG HIS A 113 -5.171 12.462 -14.315 1.00 64.10 C ATOM 1791 ND1 HIS A 113 -4.142 11.812 -13.669 1.00 24.01 N ATOM 1792 CD2 HIS A 113 -5.754 13.254 -13.380 1.00 72.31 C ATOM 1793 CE1 HIS A 113 -4.104 12.192 -12.407 1.00 33.32 C ATOM 1794 NE2 HIS A 113 -5.067 13.066 -12.206 1.00 22.21 N ATOM 0 H HIS A 113 -3.131 13.214 -15.727 1.00 12.31 H new ATOM 0 HA HIS A 113 -5.250 13.066 -17.737 1.00 34.21 H new ATOM 0 HB2 HIS A 113 -6.585 12.160 -15.867 1.00 22.14 H new ATOM 0 HB3 HIS A 113 -5.085 11.278 -16.074 1.00 22.14 H new ATOM 0 HD2 HIS A 113 -6.599 13.909 -13.531 1.00 72.31 H new ATOM 0 HE1 HIS A 113 -3.401 11.845 -11.664 1.00 33.32 H new ATOM 0 HE2 HIS A 113 -5.270 13.529 -11.320 1.00 22.21 H new ATOM 1803 N HIS A 114 -6.857 14.881 -16.957 1.00 33.52 N ATOM 1804 CA HIS A 114 -7.621 16.119 -16.764 1.00 44.22 C ATOM 1805 C HIS A 114 -8.964 15.824 -16.068 1.00 20.00 C ATOM 1806 O HIS A 114 -9.889 15.287 -16.682 1.00 72.14 O ATOM 1807 CB HIS A 114 -7.850 16.799 -18.124 1.00 10.11 C ATOM 1808 CG HIS A 114 -8.567 18.109 -18.045 1.00 60.01 C ATOM 1809 ND1 HIS A 114 -7.971 19.264 -17.595 1.00 61.44 N ATOM 1810 CD2 HIS A 114 -9.835 18.449 -18.371 1.00 40.34 C ATOM 1811 CE1 HIS A 114 -8.834 20.254 -17.645 1.00 21.02 C ATOM 1812 NE2 HIS A 114 -9.974 19.790 -18.112 1.00 64.41 N ATOM 0 H HIS A 114 -7.318 14.200 -17.560 1.00 33.52 H new ATOM 0 HA HIS A 114 -7.053 16.793 -16.123 1.00 44.22 H new ATOM 0 HB2 HIS A 114 -6.885 16.955 -18.606 1.00 10.11 H new ATOM 0 HB3 HIS A 114 -8.420 16.124 -18.763 1.00 10.11 H new ATOM 0 HD2 HIS A 114 -10.595 17.789 -18.762 1.00 40.34 H new ATOM 0 HE1 HIS A 114 -8.641 21.275 -17.352 1.00 21.02 H new ATOM 0 HE2 HIS A 114 -10.822 20.338 -18.258 1.00 64.41 H new ATOM 1821 N HIS A 115 -9.060 16.170 -14.784 1.00 33.00 N ATOM 1822 CA HIS A 115 -10.245 15.851 -13.972 1.00 31.21 C ATOM 1823 C HIS A 115 -11.512 16.567 -14.482 1.00 3.13 C ATOM 1824 O HIS A 115 -12.497 15.919 -14.838 1.00 34.13 O ATOM 1825 CB HIS A 115 -9.988 16.221 -12.503 1.00 11.24 C ATOM 1826 CG HIS A 115 -11.132 15.908 -11.580 1.00 44.12 C ATOM 1827 ND1 HIS A 115 -11.212 14.736 -10.862 1.00 55.53 N ATOM 1828 CD2 HIS A 115 -12.238 16.621 -11.248 1.00 12.33 C ATOM 1829 CE1 HIS A 115 -12.310 14.738 -10.134 1.00 52.34 C ATOM 1830 NE2 HIS A 115 -12.950 15.869 -10.348 1.00 51.20 N ATOM 0 H HIS A 115 -8.331 16.673 -14.278 1.00 33.00 H new ATOM 0 HA HIS A 115 -10.421 14.779 -14.058 1.00 31.21 H new ATOM 0 HB2 HIS A 115 -9.101 15.691 -12.156 1.00 11.24 H new ATOM 0 HB3 HIS A 115 -9.767 17.287 -12.442 1.00 11.24 H new ATOM 0 HD2 HIS A 115 -12.507 17.598 -11.622 1.00 12.33 H new ATOM 0 HE1 HIS A 115 -12.631 13.946 -9.473 1.00 52.34 H new ATOM 0 HE2 HIS A 115 -13.832 16.142 -9.915 1.00 51.20 H new ATOM 1839 N HIS A 116 -11.490 17.900 -14.493 1.00 35.31 N ATOM 1840 CA HIS A 116 -12.669 18.691 -14.885 1.00 1.33 C ATOM 1841 C HIS A 116 -12.457 19.417 -16.229 1.00 1.32 C ATOM 1842 O HIS A 116 -12.937 18.918 -17.265 1.00 37.11 O ATOM 1843 CB HIS A 116 -13.017 19.703 -13.780 1.00 44.30 C ATOM 1844 CG HIS A 116 -14.236 20.521 -14.077 1.00 24.42 C ATOM 1845 ND1 HIS A 116 -14.183 21.839 -14.471 1.00 21.51 N ATOM 1846 CD2 HIS A 116 -15.550 20.200 -14.036 1.00 1.42 C ATOM 1847 CE1 HIS A 116 -15.404 22.292 -14.656 1.00 0.41 C ATOM 1848 NE2 HIS A 116 -16.254 21.319 -14.400 1.00 61.41 N ATOM 1849 OXT HIS A 116 -11.811 20.485 -16.241 1.00 37.11 O ATOM 0 H HIS A 116 -10.675 18.458 -14.237 1.00 35.31 H new ATOM 0 HA HIS A 116 -13.501 17.999 -15.017 1.00 1.33 H new ATOM 0 HB2 HIS A 116 -13.169 19.167 -12.843 1.00 44.30 H new ATOM 0 HB3 HIS A 116 -12.169 20.371 -13.631 1.00 44.30 H new ATOM 0 HD2 HIS A 116 -15.967 19.241 -13.767 1.00 1.42 H new ATOM 0 HE1 HIS A 116 -15.665 23.293 -14.966 1.00 0.41 H new ATOM 0 HE2 HIS A 116 -17.270 21.387 -14.462 1.00 61.41 H new TER 1858 HIS A 116