USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 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 Single : A 1 GLY N :NH3+ -145:sc= 0.0209 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.722 USER MOD Single : A 6 SER OG : rot 23:sc= 0.0206 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.105 (180deg=-0.506) USER MOD Single : A 40 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.2!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.0108 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.814 USER MOD Single : A 60 SER OG : rot 144:sc= 0.117 USER MOD Single : A 61 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.159) USER MOD Single : A 67 GLN : amide:sc= -3.45! C(o=-3.4!,f=-7.9!) USER MOD Single : A 68 TYR OH : rot -15:sc= -0.0574 USER MOD Single : A 70 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.14) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.325 -2.309 24.005 1.00 0.00 N ATOM 2 CA GLY A 1 -0.916 -3.233 23.055 1.00 0.00 C ATOM 3 C GLY A 1 -0.033 -4.437 22.792 1.00 0.00 C ATOM 4 O GLY A 1 0.711 -4.873 23.670 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.074 -1.884 24.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.343 -2.820 24.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.181 -1.559 23.491 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.881 -3.570 23.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.105 -2.713 22.116 1.00 0.00 H new ATOM 8 N SER A 2 -0.116 -4.976 21.580 1.00 0.00 N ATOM 9 CA SER A 2 0.677 -6.141 21.206 1.00 0.00 C ATOM 10 C SER A 2 0.903 -6.182 19.697 1.00 0.00 C ATOM 11 O SER A 2 0.017 -5.837 18.916 1.00 0.00 O ATOM 12 CB SER A 2 -0.015 -7.426 21.664 1.00 0.00 C ATOM 13 OG SER A 2 -1.296 -7.554 21.071 1.00 0.00 O ATOM 0 H SER A 2 -0.724 -4.625 20.840 1.00 0.00 H new ATOM 0 HA SER A 2 1.645 -6.063 21.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.599 -8.287 21.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.112 -7.424 22.750 1.00 0.00 H new ATOM 0 HG SER A 2 -1.717 -8.384 21.378 1.00 0.00 H new ATOM 19 N SER A 3 2.097 -6.608 19.295 1.00 0.00 N ATOM 20 CA SER A 3 2.442 -6.692 17.881 1.00 0.00 C ATOM 21 C SER A 3 2.455 -8.143 17.410 1.00 0.00 C ATOM 22 O SER A 3 3.066 -9.006 18.038 1.00 0.00 O ATOM 23 CB SER A 3 3.808 -6.050 17.629 1.00 0.00 C ATOM 24 OG SER A 3 3.792 -4.671 17.958 1.00 0.00 O ATOM 0 H SER A 3 2.841 -6.900 19.929 1.00 0.00 H new ATOM 0 HA SER A 3 1.684 -6.151 17.315 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.568 -6.560 18.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.084 -6.174 16.582 1.00 0.00 H new ATOM 0 HG SER A 3 4.677 -4.284 17.790 1.00 0.00 H new ATOM 30 N GLY A 4 1.774 -8.403 16.298 1.00 0.00 N ATOM 31 CA GLY A 4 1.719 -9.750 15.760 1.00 0.00 C ATOM 32 C GLY A 4 2.115 -9.807 14.298 1.00 0.00 C ATOM 33 O GLY A 4 3.006 -9.080 13.860 1.00 0.00 O ATOM 0 H GLY A 4 1.260 -7.705 15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.380 -10.396 16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.709 -10.143 15.875 1.00 0.00 H new ATOM 37 N SER A 5 1.452 -10.676 13.541 1.00 0.00 N ATOM 38 CA SER A 5 1.744 -10.829 12.120 1.00 0.00 C ATOM 39 C SER A 5 0.550 -10.402 11.271 1.00 0.00 C ATOM 40 O SER A 5 -0.526 -10.994 11.351 1.00 0.00 O ATOM 41 CB SER A 5 2.112 -12.281 11.808 1.00 0.00 C ATOM 42 OG SER A 5 1.015 -13.147 12.039 1.00 0.00 O ATOM 0 H SER A 5 0.710 -11.284 13.887 1.00 0.00 H new ATOM 0 HA SER A 5 2.590 -10.186 11.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.431 -12.363 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.956 -12.586 12.426 1.00 0.00 H new ATOM 0 HG SER A 5 0.181 -12.686 11.813 1.00 0.00 H new ATOM 48 N SER A 6 0.750 -9.369 10.458 1.00 0.00 N ATOM 49 CA SER A 6 -0.310 -8.859 9.597 1.00 0.00 C ATOM 50 C SER A 6 0.254 -8.399 8.256 1.00 0.00 C ATOM 51 O SER A 6 1.437 -8.083 8.143 1.00 0.00 O ATOM 52 CB SER A 6 -1.039 -7.701 10.281 1.00 0.00 C ATOM 53 OG SER A 6 -2.061 -8.177 11.139 1.00 0.00 O ATOM 0 H SER A 6 1.636 -8.870 10.378 1.00 0.00 H new ATOM 0 HA SER A 6 -1.018 -9.668 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.327 -7.106 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.470 -7.043 9.527 1.00 0.00 H new ATOM 0 HG SER A 6 -1.863 -9.100 11.402 1.00 0.00 H new ATOM 59 N GLY A 7 -0.604 -8.365 7.240 1.00 0.00 N ATOM 60 CA GLY A 7 -0.174 -7.943 5.920 1.00 0.00 C ATOM 61 C GLY A 7 -1.290 -7.292 5.127 1.00 0.00 C ATOM 62 O GLY A 7 -1.525 -7.642 3.971 1.00 0.00 O ATOM 0 H GLY A 7 -1.589 -8.622 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.655 -7.242 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.202 -8.806 5.371 1.00 0.00 H new ATOM 66 N ASP A 8 -1.980 -6.343 5.750 1.00 0.00 N ATOM 67 CA ASP A 8 -3.079 -5.642 5.095 1.00 0.00 C ATOM 68 C ASP A 8 -2.565 -4.436 4.315 1.00 0.00 C ATOM 69 O ASP A 8 -1.668 -3.726 4.770 1.00 0.00 O ATOM 70 CB ASP A 8 -4.114 -5.194 6.128 1.00 0.00 C ATOM 71 CG ASP A 8 -4.906 -6.355 6.696 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.984 -7.404 6.024 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.450 -6.214 7.811 1.00 0.00 O ATOM 0 H ASP A 8 -1.798 -6.041 6.707 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.551 -6.331 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.609 -4.671 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.799 -4.482 5.667 1.00 0.00 H new ATOM 78 N TYR A 9 -3.139 -4.212 3.138 1.00 0.00 N ATOM 79 CA TYR A 9 -2.737 -3.094 2.292 1.00 0.00 C ATOM 80 C TYR A 9 -2.573 -1.820 3.115 1.00 0.00 C ATOM 81 O TYR A 9 -1.528 -1.170 3.072 1.00 0.00 O ATOM 82 CB TYR A 9 -3.767 -2.870 1.184 1.00 0.00 C ATOM 83 CG TYR A 9 -3.924 -4.053 0.255 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.821 -4.794 -0.149 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.176 -4.428 -0.218 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.960 -5.875 -0.998 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.324 -5.508 -1.066 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.214 -6.228 -1.454 1.00 0.00 C ATOM 89 OH TYR A 9 -4.357 -7.304 -2.299 1.00 0.00 O ATOM 0 H TYR A 9 -3.884 -4.790 2.748 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.776 -3.340 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.732 -2.644 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.476 -1.996 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.838 -4.521 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.048 -3.865 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.092 -6.441 -1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.304 -5.787 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.304 -7.419 -2.525 1.00 0.00 H new ATOM 99 N TYR A 10 -3.612 -1.470 3.865 1.00 0.00 N ATOM 100 CA TYR A 10 -3.586 -0.273 4.697 1.00 0.00 C ATOM 101 C TYR A 10 -2.372 -0.279 5.621 1.00 0.00 C ATOM 102 O TYR A 10 -1.758 0.760 5.863 1.00 0.00 O ATOM 103 CB TYR A 10 -4.869 -0.172 5.523 1.00 0.00 C ATOM 104 CG TYR A 10 -6.106 0.083 4.691 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.301 1.303 4.057 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.079 -0.898 4.539 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.430 1.540 3.297 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.210 -0.670 3.780 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.382 0.551 3.161 1.00 0.00 C ATOM 110 OH TYR A 10 -9.507 0.783 2.404 1.00 0.00 O ATOM 0 H TYR A 10 -4.483 -1.998 3.914 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.516 0.594 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.003 -1.096 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.760 0.631 6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.558 2.080 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.948 -1.855 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.567 2.495 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.956 -1.443 3.672 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.075 -0.015 2.410 1.00 0.00 H new ATOM 120 N GLU A 11 -2.033 -1.457 6.134 1.00 0.00 N ATOM 121 CA GLU A 11 -0.892 -1.599 7.032 1.00 0.00 C ATOM 122 C GLU A 11 0.417 -1.341 6.293 1.00 0.00 C ATOM 123 O GLU A 11 1.327 -0.703 6.825 1.00 0.00 O ATOM 124 CB GLU A 11 -0.874 -2.998 7.652 1.00 0.00 C ATOM 125 CG GLU A 11 -1.661 -3.100 8.947 1.00 0.00 C ATOM 126 CD GLU A 11 -0.886 -2.581 10.143 1.00 0.00 C ATOM 127 OE1 GLU A 11 0.127 -3.211 10.513 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.292 -1.545 10.708 1.00 0.00 O ATOM 0 H GLU A 11 -2.531 -2.326 5.944 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.992 -0.859 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.280 -3.710 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.159 -3.289 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.590 -2.538 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.935 -4.141 9.120 1.00 0.00 H new ATOM 135 N ILE A 12 0.506 -1.840 5.065 1.00 0.00 N ATOM 136 CA ILE A 12 1.703 -1.663 4.253 1.00 0.00 C ATOM 137 C ILE A 12 1.999 -0.185 4.024 1.00 0.00 C ATOM 138 O ILE A 12 3.158 0.225 3.960 1.00 0.00 O ATOM 139 CB ILE A 12 1.567 -2.365 2.889 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.230 -3.844 3.083 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.848 -2.209 2.083 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.030 -4.595 1.785 1.00 0.00 C ATOM 0 H ILE A 12 -0.237 -2.370 4.610 1.00 0.00 H new ATOM 0 HA ILE A 12 2.528 -2.115 4.805 1.00 0.00 H new ATOM 0 HB ILE A 12 0.753 -1.896 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.031 -4.320 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.324 -3.926 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.736 -2.710 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.048 -1.150 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.679 -2.655 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.794 -5.637 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.209 -4.145 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.943 -4.545 1.191 1.00 0.00 H new ATOM 154 N LEU A 13 0.943 0.612 3.904 1.00 0.00 N ATOM 155 CA LEU A 13 1.088 2.047 3.684 1.00 0.00 C ATOM 156 C LEU A 13 1.184 2.794 5.010 1.00 0.00 C ATOM 157 O LEU A 13 1.841 3.830 5.105 1.00 0.00 O ATOM 158 CB LEU A 13 -0.092 2.580 2.870 1.00 0.00 C ATOM 159 CG LEU A 13 -0.380 1.858 1.553 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.736 2.271 1.003 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.718 2.142 0.538 1.00 0.00 C ATOM 0 H LEU A 13 -0.023 0.289 3.955 1.00 0.00 H new ATOM 0 HA LEU A 13 2.010 2.213 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.987 2.532 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.089 3.633 2.652 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.401 0.785 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.923 1.747 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.514 2.016 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.744 3.346 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.497 1.620 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.771 3.214 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.674 1.795 0.930 1.00 0.00 H new ATOM 173 N GLY A 14 0.526 2.259 6.034 1.00 0.00 N ATOM 174 CA GLY A 14 0.552 2.887 7.343 1.00 0.00 C ATOM 175 C GLY A 14 -0.614 3.833 7.555 1.00 0.00 C ATOM 176 O GLY A 14 -0.434 4.954 8.030 1.00 0.00 O ATOM 0 H GLY A 14 -0.025 1.402 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.535 2.116 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.487 3.435 7.461 1.00 0.00 H new ATOM 180 N VAL A 15 -1.813 3.381 7.200 1.00 0.00 N ATOM 181 CA VAL A 15 -3.012 4.195 7.354 1.00 0.00 C ATOM 182 C VAL A 15 -4.190 3.354 7.833 1.00 0.00 C ATOM 183 O VAL A 15 -4.083 2.134 7.963 1.00 0.00 O ATOM 184 CB VAL A 15 -3.394 4.887 6.032 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.257 5.772 5.544 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.767 3.854 4.979 1.00 0.00 C ATOM 0 H VAL A 15 -1.979 2.456 6.804 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.784 4.955 8.101 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.263 5.520 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.545 6.252 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.042 6.535 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.367 5.164 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.034 4.360 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.918 3.194 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.616 3.267 5.330 1.00 0.00 H new ATOM 196 N SER A 16 -5.314 4.013 8.094 1.00 0.00 N ATOM 197 CA SER A 16 -6.512 3.327 8.563 1.00 0.00 C ATOM 198 C SER A 16 -7.327 2.794 7.388 1.00 0.00 C ATOM 199 O SER A 16 -7.102 3.174 6.239 1.00 0.00 O ATOM 200 CB SER A 16 -7.370 4.271 9.407 1.00 0.00 C ATOM 201 OG SER A 16 -6.845 4.402 10.717 1.00 0.00 O ATOM 0 H SER A 16 -5.420 5.022 7.989 1.00 0.00 H new ATOM 0 HA SER A 16 -6.200 2.484 9.179 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.416 5.250 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.391 3.893 9.457 1.00 0.00 H new ATOM 0 HG SER A 16 -7.410 5.012 11.236 1.00 0.00 H new ATOM 207 N ARG A 17 -8.276 1.912 7.686 1.00 0.00 N ATOM 208 CA ARG A 17 -9.124 1.326 6.655 1.00 0.00 C ATOM 209 C ARG A 17 -10.210 2.306 6.222 1.00 0.00 C ATOM 210 O ARG A 17 -11.190 2.518 6.936 1.00 0.00 O ATOM 211 CB ARG A 17 -9.764 0.033 7.166 1.00 0.00 C ATOM 212 CG ARG A 17 -8.797 -1.138 7.236 1.00 0.00 C ATOM 213 CD ARG A 17 -9.371 -2.286 8.052 1.00 0.00 C ATOM 214 NE ARG A 17 -9.583 -1.913 9.448 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.365 -2.592 10.280 1.00 0.00 C ATOM 216 NH1 ARG A 17 -11.005 -3.674 9.858 1.00 0.00 N ATOM 217 NH2 ARG A 17 -10.507 -2.190 11.536 1.00 0.00 N ATOM 0 H ARG A 17 -8.477 1.588 8.632 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.499 1.098 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.179 0.210 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.597 -0.233 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.570 -1.485 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.857 -0.809 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.317 -2.604 7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.694 -3.139 8.003 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.104 -1.086 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.897 -3.986 8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.605 -4.194 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.015 -1.359 11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.108 -2.712 12.174 1.00 0.00 H new ATOM 231 N GLY A 18 -10.028 2.902 5.048 1.00 0.00 N ATOM 232 CA GLY A 18 -10.999 3.854 4.540 1.00 0.00 C ATOM 233 C GLY A 18 -10.397 5.224 4.299 1.00 0.00 C ATOM 234 O GLY A 18 -11.119 6.211 4.161 1.00 0.00 O ATOM 0 H GLY A 18 -9.225 2.743 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.420 3.477 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.822 3.942 5.249 1.00 0.00 H new ATOM 238 N ALA A 19 -9.071 5.285 4.249 1.00 0.00 N ATOM 239 CA ALA A 19 -8.372 6.544 4.022 1.00 0.00 C ATOM 240 C ALA A 19 -8.630 7.069 2.614 1.00 0.00 C ATOM 241 O ALA A 19 -8.549 6.323 1.638 1.00 0.00 O ATOM 242 CB ALA A 19 -6.879 6.369 4.257 1.00 0.00 C ATOM 0 H ALA A 19 -8.459 4.477 4.363 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.756 7.277 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.370 7.317 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.708 6.047 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.488 5.617 3.571 1.00 0.00 H new ATOM 248 N SER A 20 -8.941 8.357 2.515 1.00 0.00 N ATOM 249 CA SER A 20 -9.215 8.981 1.226 1.00 0.00 C ATOM 250 C SER A 20 -8.003 8.880 0.305 1.00 0.00 C ATOM 251 O SER A 20 -6.885 8.631 0.757 1.00 0.00 O ATOM 252 CB SER A 20 -9.603 10.449 1.418 1.00 0.00 C ATOM 253 OG SER A 20 -10.175 10.983 0.237 1.00 0.00 O ATOM 0 H SER A 20 -9.010 8.989 3.312 1.00 0.00 H new ATOM 0 HA SER A 20 -10.047 8.450 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.312 10.536 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.722 11.028 1.693 1.00 0.00 H new ATOM 0 HG SER A 20 -10.416 11.921 0.386 1.00 0.00 H new ATOM 259 N ASP A 21 -8.234 9.074 -0.989 1.00 0.00 N ATOM 260 CA ASP A 21 -7.162 9.006 -1.975 1.00 0.00 C ATOM 261 C ASP A 21 -5.960 9.834 -1.530 1.00 0.00 C ATOM 262 O ASP A 21 -4.866 9.304 -1.341 1.00 0.00 O ATOM 263 CB ASP A 21 -7.659 9.497 -3.336 1.00 0.00 C ATOM 264 CG ASP A 21 -9.088 9.073 -3.617 1.00 0.00 C ATOM 265 OD1 ASP A 21 -10.015 9.787 -3.182 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.277 8.028 -4.273 1.00 0.00 O ATOM 0 H ASP A 21 -9.154 9.280 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.851 7.965 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.591 10.584 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.007 9.110 -4.119 1.00 0.00 H new ATOM 271 N GLU A 22 -6.173 11.136 -1.366 1.00 0.00 N ATOM 272 CA GLU A 22 -5.106 12.036 -0.945 1.00 0.00 C ATOM 273 C GLU A 22 -4.309 11.433 0.208 1.00 0.00 C ATOM 274 O GLU A 22 -3.078 11.430 0.191 1.00 0.00 O ATOM 275 CB GLU A 22 -5.686 13.389 -0.526 1.00 0.00 C ATOM 276 CG GLU A 22 -4.743 14.556 -0.764 1.00 0.00 C ATOM 277 CD GLU A 22 -4.065 14.490 -2.119 1.00 0.00 C ATOM 278 OE1 GLU A 22 -4.726 14.078 -3.095 1.00 0.00 O ATOM 279 OE2 GLU A 22 -2.872 14.851 -2.203 1.00 0.00 O ATOM 0 H GLU A 22 -7.073 11.590 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.434 12.183 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.612 13.563 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.945 13.352 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.299 15.490 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.984 14.570 0.018 1.00 0.00 H new ATOM 286 N ASP A 23 -5.019 10.925 1.209 1.00 0.00 N ATOM 287 CA ASP A 23 -4.379 10.319 2.371 1.00 0.00 C ATOM 288 C ASP A 23 -3.516 9.132 1.957 1.00 0.00 C ATOM 289 O ASP A 23 -2.338 9.054 2.311 1.00 0.00 O ATOM 290 CB ASP A 23 -5.433 9.871 3.385 1.00 0.00 C ATOM 291 CG ASP A 23 -5.833 10.983 4.334 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.747 12.163 3.935 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.232 10.674 5.477 1.00 0.00 O ATOM 0 H ASP A 23 -6.039 10.921 1.239 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.737 11.068 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.316 9.516 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.046 9.029 3.959 1.00 0.00 H new ATOM 298 N LEU A 24 -4.108 8.208 1.208 1.00 0.00 N ATOM 299 CA LEU A 24 -3.393 7.023 0.747 1.00 0.00 C ATOM 300 C LEU A 24 -2.141 7.411 -0.032 1.00 0.00 C ATOM 301 O LEU A 24 -1.137 6.699 -0.010 1.00 0.00 O ATOM 302 CB LEU A 24 -4.306 6.162 -0.128 1.00 0.00 C ATOM 303 CG LEU A 24 -5.518 5.545 0.569 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.661 5.355 -0.416 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.144 4.221 1.218 1.00 0.00 C ATOM 0 H LEU A 24 -5.081 8.257 0.907 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.090 6.448 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.661 6.773 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.710 5.357 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.850 6.228 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.515 4.915 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.947 6.321 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.341 4.693 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.019 3.797 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.786 3.530 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.359 4.386 1.955 1.00 0.00 H new ATOM 317 N LYS A 25 -2.205 8.547 -0.718 1.00 0.00 N ATOM 318 CA LYS A 25 -1.076 9.033 -1.502 1.00 0.00 C ATOM 319 C LYS A 25 0.040 9.538 -0.593 1.00 0.00 C ATOM 320 O LYS A 25 1.179 9.076 -0.675 1.00 0.00 O ATOM 321 CB LYS A 25 -1.526 10.153 -2.443 1.00 0.00 C ATOM 322 CG LYS A 25 -0.430 10.644 -3.373 1.00 0.00 C ATOM 323 CD LYS A 25 -0.224 9.696 -4.542 1.00 0.00 C ATOM 324 CE LYS A 25 -1.111 10.065 -5.721 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.517 9.636 -7.018 1.00 0.00 N ATOM 0 H LYS A 25 -3.028 9.149 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.692 8.202 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.366 9.798 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.889 10.991 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.687 11.635 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.502 10.745 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.821 9.719 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.441 8.675 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.090 9.601 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.269 11.143 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.152 9.906 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.405 10.099 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.390 8.604 -7.017 1.00 0.00 H new ATOM 339 N LYS A 26 -0.294 10.486 0.276 1.00 0.00 N ATOM 340 CA LYS A 26 0.679 11.052 1.203 1.00 0.00 C ATOM 341 C LYS A 26 1.505 9.952 1.863 1.00 0.00 C ATOM 342 O LYS A 26 2.733 9.947 1.774 1.00 0.00 O ATOM 343 CB LYS A 26 -0.030 11.883 2.275 1.00 0.00 C ATOM 344 CG LYS A 26 -0.266 13.327 1.867 1.00 0.00 C ATOM 345 CD LYS A 26 -1.094 14.071 2.901 1.00 0.00 C ATOM 346 CE LYS A 26 -2.583 13.940 2.621 1.00 0.00 C ATOM 347 NZ LYS A 26 -3.369 15.019 3.283 1.00 0.00 N ATOM 0 H LYS A 26 -1.232 10.879 0.358 1.00 0.00 H new ATOM 0 HA LYS A 26 1.350 11.697 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.988 11.419 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.564 11.865 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.692 13.830 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.775 13.355 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.874 13.681 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.814 15.125 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.755 13.974 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.934 12.969 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.379 14.895 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.226 14.972 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.052 15.945 2.932 1.00 0.00 H new ATOM 361 N ALA A 27 0.824 9.021 2.523 1.00 0.00 N ATOM 362 CA ALA A 27 1.495 7.915 3.193 1.00 0.00 C ATOM 363 C ALA A 27 2.311 7.088 2.206 1.00 0.00 C ATOM 364 O ALA A 27 3.502 6.856 2.410 1.00 0.00 O ATOM 365 CB ALA A 27 0.479 7.036 3.908 1.00 0.00 C ATOM 0 H ALA A 27 -0.192 9.011 2.608 1.00 0.00 H new ATOM 0 HA ALA A 27 2.181 8.332 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.995 6.214 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.057 7.629 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.230 6.635 3.183 1.00 0.00 H new ATOM 371 N TYR A 28 1.661 6.644 1.135 1.00 0.00 N ATOM 372 CA TYR A 28 2.326 5.840 0.117 1.00 0.00 C ATOM 373 C TYR A 28 3.651 6.472 -0.298 1.00 0.00 C ATOM 374 O TYR A 28 4.677 5.797 -0.373 1.00 0.00 O ATOM 375 CB TYR A 28 1.421 5.677 -1.106 1.00 0.00 C ATOM 376 CG TYR A 28 2.116 5.054 -2.295 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.871 3.896 -2.156 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.017 5.623 -3.559 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.508 3.324 -3.240 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.650 5.058 -4.649 1.00 0.00 C ATOM 381 CZ TYR A 28 3.395 3.908 -4.484 1.00 0.00 C ATOM 382 OH TYR A 28 4.027 3.341 -5.567 1.00 0.00 O ATOM 0 H TYR A 28 0.675 6.828 0.950 1.00 0.00 H new ATOM 0 HA TYR A 28 2.531 4.858 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.564 5.062 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.033 6.654 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.961 3.435 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.435 6.523 -3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.092 2.424 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.562 5.513 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 28 3.845 3.875 -6.368 1.00 0.00 H new ATOM 392 N ARG A 29 3.619 7.773 -0.567 1.00 0.00 N ATOM 393 CA ARG A 29 4.816 8.498 -0.975 1.00 0.00 C ATOM 394 C ARG A 29 5.873 8.467 0.125 1.00 0.00 C ATOM 395 O ARG A 29 6.939 7.874 -0.040 1.00 0.00 O ATOM 396 CB ARG A 29 4.468 9.947 -1.322 1.00 0.00 C ATOM 397 CG ARG A 29 3.630 10.088 -2.582 1.00 0.00 C ATOM 398 CD ARG A 29 3.881 11.419 -3.272 1.00 0.00 C ATOM 399 NE ARG A 29 2.949 11.649 -4.373 1.00 0.00 N ATOM 400 CZ ARG A 29 3.114 12.597 -5.289 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.168 13.400 -5.236 1.00 0.00 N ATOM 402 NH2 ARG A 29 2.222 12.744 -6.261 1.00 0.00 N ATOM 0 H ARG A 29 2.777 8.346 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 29 5.223 8.007 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.929 10.392 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.391 10.514 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.861 9.272 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.573 10.002 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.790 12.227 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.903 11.444 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 29 2.127 11.049 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.855 13.291 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.291 14.127 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.409 12.129 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.349 13.472 -6.964 1.00 0.00 H new ATOM 416 N ARG A 30 5.569 9.110 1.248 1.00 0.00 N ATOM 417 CA ARG A 30 6.493 9.158 2.375 1.00 0.00 C ATOM 418 C ARG A 30 7.233 7.832 2.528 1.00 0.00 C ATOM 419 O ARG A 30 8.363 7.792 3.016 1.00 0.00 O ATOM 420 CB ARG A 30 5.740 9.485 3.666 1.00 0.00 C ATOM 421 CG ARG A 30 6.546 9.217 4.926 1.00 0.00 C ATOM 422 CD ARG A 30 5.955 9.937 6.129 1.00 0.00 C ATOM 423 NE ARG A 30 6.975 10.278 7.117 1.00 0.00 N ATOM 424 CZ ARG A 30 7.408 9.435 8.047 1.00 0.00 C ATOM 425 NH1 ARG A 30 6.915 8.206 8.115 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.339 9.820 8.911 1.00 0.00 N ATOM 0 H ARG A 30 4.690 9.605 1.402 1.00 0.00 H new ATOM 0 HA ARG A 30 7.224 9.943 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.446 10.535 3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.822 8.898 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.574 8.145 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.576 9.541 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.453 10.846 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.197 9.306 6.593 1.00 0.00 H new ATOM 0 HE ARG A 30 7.377 11.215 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.201 7.906 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.250 7.561 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.722 10.764 8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.671 9.172 9.625 1.00 0.00 H new ATOM 440 N LEU A 31 6.588 6.749 2.108 1.00 0.00 N ATOM 441 CA LEU A 31 7.185 5.421 2.198 1.00 0.00 C ATOM 442 C LEU A 31 8.049 5.128 0.975 1.00 0.00 C ATOM 443 O LEU A 31 9.254 4.910 1.093 1.00 0.00 O ATOM 444 CB LEU A 31 6.093 4.358 2.331 1.00 0.00 C ATOM 445 CG LEU A 31 5.205 4.460 3.572 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.056 3.466 3.490 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.023 4.229 4.834 1.00 0.00 C ATOM 0 H LEU A 31 5.652 6.764 1.702 1.00 0.00 H new ATOM 0 HA LEU A 31 7.820 5.394 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.456 4.408 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.567 3.376 2.327 1.00 0.00 H new ATOM 0 HG LEU A 31 4.786 5.466 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.435 3.553 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.454 3.678 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.455 2.454 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.375 4.305 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.471 3.236 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.810 4.980 4.900 1.00 0.00 H new ATOM 459 N ALA A 32 7.424 5.126 -0.198 1.00 0.00 N ATOM 460 CA ALA A 32 8.136 4.864 -1.442 1.00 0.00 C ATOM 461 C ALA A 32 9.522 5.499 -1.425 1.00 0.00 C ATOM 462 O ALA A 32 10.505 4.881 -1.838 1.00 0.00 O ATOM 463 CB ALA A 32 7.333 5.377 -2.628 1.00 0.00 C ATOM 0 H ALA A 32 6.426 5.303 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 32 8.260 3.786 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.877 5.175 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.367 4.873 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.179 6.451 -2.526 1.00 0.00 H new ATOM 469 N LEU A 33 9.595 6.736 -0.946 1.00 0.00 N ATOM 470 CA LEU A 33 10.862 7.456 -0.876 1.00 0.00 C ATOM 471 C LEU A 33 11.808 6.798 0.124 1.00 0.00 C ATOM 472 O LEU A 33 13.015 6.721 -0.104 1.00 0.00 O ATOM 473 CB LEU A 33 10.622 8.915 -0.485 1.00 0.00 C ATOM 474 CG LEU A 33 10.098 9.829 -1.593 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.577 9.853 -1.591 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.656 11.236 -1.432 1.00 0.00 C ATOM 0 H LEU A 33 8.792 7.261 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 33 11.325 7.423 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.913 8.937 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.559 9.329 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 33 10.433 9.434 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.222 10.509 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.197 8.845 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.220 10.223 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.273 11.873 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.351 11.640 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.744 11.204 -1.485 1.00 0.00 H new ATOM 488 N LYS A 34 11.250 6.324 1.233 1.00 0.00 N ATOM 489 CA LYS A 34 12.041 5.670 2.268 1.00 0.00 C ATOM 490 C LYS A 34 12.543 4.310 1.792 1.00 0.00 C ATOM 491 O LYS A 34 13.549 3.800 2.286 1.00 0.00 O ATOM 492 CB LYS A 34 11.212 5.501 3.543 1.00 0.00 C ATOM 493 CG LYS A 34 12.012 4.983 4.726 1.00 0.00 C ATOM 494 CD LYS A 34 11.129 4.240 5.714 1.00 0.00 C ATOM 495 CE LYS A 34 11.931 3.245 6.539 1.00 0.00 C ATOM 496 NZ LYS A 34 12.493 3.869 7.769 1.00 0.00 N ATOM 0 H LYS A 34 10.252 6.381 1.438 1.00 0.00 H new ATOM 0 HA LYS A 34 12.903 6.301 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.769 6.461 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.390 4.814 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.800 4.319 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.501 5.817 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.642 4.955 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.340 3.715 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.293 2.406 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.742 2.842 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.032 3.158 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.122 4.654 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.718 4.231 8.360 1.00 0.00 H new ATOM 510 N PHE A 35 11.836 3.728 0.828 1.00 0.00 N ATOM 511 CA PHE A 35 12.210 2.428 0.284 1.00 0.00 C ATOM 512 C PHE A 35 12.800 2.573 -1.115 1.00 0.00 C ATOM 513 O PHE A 35 13.349 1.621 -1.672 1.00 0.00 O ATOM 514 CB PHE A 35 10.994 1.500 0.244 1.00 0.00 C ATOM 515 CG PHE A 35 10.499 1.102 1.604 1.00 0.00 C ATOM 516 CD1 PHE A 35 9.614 1.912 2.298 1.00 0.00 C ATOM 517 CD2 PHE A 35 10.916 -0.083 2.189 1.00 0.00 C ATOM 518 CE1 PHE A 35 9.157 1.548 3.551 1.00 0.00 C ATOM 519 CE2 PHE A 35 10.462 -0.452 3.442 1.00 0.00 C ATOM 520 CZ PHE A 35 9.580 0.364 4.123 1.00 0.00 C ATOM 0 H PHE A 35 11.001 4.136 0.408 1.00 0.00 H new ATOM 0 HA PHE A 35 12.969 1.994 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.187 1.995 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.251 0.602 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.278 2.838 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.604 -0.726 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.469 2.189 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.797 -1.377 3.888 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.222 0.077 5.101 1.00 0.00 H new ATOM 530 N HIS A 36 12.683 3.771 -1.679 1.00 0.00 N ATOM 531 CA HIS A 36 13.204 4.042 -3.014 1.00 0.00 C ATOM 532 C HIS A 36 14.675 3.649 -3.113 1.00 0.00 C ATOM 533 O HIS A 36 15.461 3.853 -2.187 1.00 0.00 O ATOM 534 CB HIS A 36 13.035 5.522 -3.360 1.00 0.00 C ATOM 535 CG HIS A 36 12.846 5.777 -4.824 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.885 6.088 -5.675 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.728 5.763 -5.587 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.415 6.257 -6.897 1.00 0.00 C ATOM 539 NE2 HIS A 36 12.108 6.065 -6.872 1.00 0.00 N ATOM 0 H HIS A 36 12.232 4.569 -1.232 1.00 0.00 H new ATOM 0 HA HIS A 36 12.637 3.443 -3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.177 5.918 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.912 6.070 -3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.724 5.553 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.000 6.509 -7.769 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.483 6.130 -7.676 1.00 0.00 H new ATOM 547 N PRO A 37 15.059 3.072 -4.261 1.00 0.00 N ATOM 548 CA PRO A 37 16.437 2.638 -4.508 1.00 0.00 C ATOM 549 C PRO A 37 17.395 3.814 -4.665 1.00 0.00 C ATOM 550 O PRO A 37 18.501 3.802 -4.124 1.00 0.00 O ATOM 551 CB PRO A 37 16.333 1.854 -5.818 1.00 0.00 C ATOM 552 CG PRO A 37 15.134 2.415 -6.502 1.00 0.00 C ATOM 553 CD PRO A 37 14.176 2.799 -5.408 1.00 0.00 C ATOM 0 HA PRO A 37 16.836 2.055 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.229 1.978 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.219 0.786 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.400 3.280 -7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.687 1.680 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.587 3.675 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.472 1.996 -5.191 1.00 0.00 H new ATOM 561 N ASP A 38 16.964 4.827 -5.408 1.00 0.00 N ATOM 562 CA ASP A 38 17.783 6.012 -5.635 1.00 0.00 C ATOM 563 C ASP A 38 18.062 6.740 -4.323 1.00 0.00 C ATOM 564 O ASP A 38 19.160 7.253 -4.106 1.00 0.00 O ATOM 565 CB ASP A 38 17.091 6.956 -6.619 1.00 0.00 C ATOM 566 CG ASP A 38 18.056 7.935 -7.258 1.00 0.00 C ATOM 567 OD1 ASP A 38 19.091 7.485 -7.794 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.777 9.152 -7.224 1.00 0.00 O ATOM 0 H ASP A 38 16.052 4.851 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 38 18.734 5.690 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.603 6.370 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.309 7.509 -6.099 1.00 0.00 H new ATOM 573 N LYS A 39 17.060 6.781 -3.451 1.00 0.00 N ATOM 574 CA LYS A 39 17.196 7.445 -2.160 1.00 0.00 C ATOM 575 C LYS A 39 17.867 6.527 -1.144 1.00 0.00 C ATOM 576 O LYS A 39 18.949 6.828 -0.641 1.00 0.00 O ATOM 577 CB LYS A 39 15.824 7.881 -1.641 1.00 0.00 C ATOM 578 CG LYS A 39 15.291 9.136 -2.310 1.00 0.00 C ATOM 579 CD LYS A 39 13.772 9.138 -2.364 1.00 0.00 C ATOM 580 CE LYS A 39 13.251 10.161 -3.361 1.00 0.00 C ATOM 581 NZ LYS A 39 13.651 9.829 -4.757 1.00 0.00 N ATOM 0 H LYS A 39 16.145 6.362 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 39 17.823 8.326 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.113 7.069 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.889 8.052 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.638 10.015 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.692 9.209 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.415 8.146 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.372 9.357 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.164 10.210 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.631 11.149 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.993 10.281 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.616 10.176 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.624 8.798 -4.890 1.00 0.00 H new ATOM 595 N ASN A 40 17.219 5.406 -0.846 1.00 0.00 N ATOM 596 CA ASN A 40 17.754 4.443 0.109 1.00 0.00 C ATOM 597 C ASN A 40 19.132 3.954 -0.325 1.00 0.00 C ATOM 598 O ASN A 40 19.562 4.198 -1.453 1.00 0.00 O ATOM 599 CB ASN A 40 16.802 3.255 0.256 1.00 0.00 C ATOM 600 CG ASN A 40 17.102 2.422 1.488 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.072 1.664 1.516 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.269 2.559 2.512 1.00 0.00 N ATOM 0 H ASN A 40 16.322 5.142 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 40 17.852 4.942 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.776 3.619 0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.872 2.625 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.420 2.024 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.478 3.199 2.444 1.00 0.00 H new ATOM 609 N HIS A 41 19.820 3.262 0.577 1.00 0.00 N ATOM 610 CA HIS A 41 21.150 2.737 0.287 1.00 0.00 C ATOM 611 C HIS A 41 21.114 1.219 0.138 1.00 0.00 C ATOM 612 O HIS A 41 21.570 0.673 -0.866 1.00 0.00 O ATOM 613 CB HIS A 41 22.129 3.129 1.393 1.00 0.00 C ATOM 614 CG HIS A 41 22.471 4.588 1.400 1.00 0.00 C ATOM 615 ND1 HIS A 41 23.262 5.180 0.438 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.124 5.574 2.260 1.00 0.00 C ATOM 617 CE1 HIS A 41 23.387 6.468 0.706 1.00 0.00 C ATOM 618 NE2 HIS A 41 22.705 6.733 1.806 1.00 0.00 N ATOM 0 H HIS A 41 19.479 3.052 1.515 1.00 0.00 H new ATOM 0 HA HIS A 41 21.486 3.169 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 41 21.701 2.860 2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.045 2.550 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.506 5.469 3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 41 23.951 7.182 0.125 1.00 0.00 H new ATOM 0 HE2 HIS A 41 22.623 7.649 2.247 1.00 0.00 H new ATOM 626 N ALA A 42 20.570 0.543 1.145 1.00 0.00 N ATOM 627 CA ALA A 42 20.473 -0.911 1.126 1.00 0.00 C ATOM 628 C ALA A 42 19.387 -1.377 0.163 1.00 0.00 C ATOM 629 O ALA A 42 18.339 -0.746 0.019 1.00 0.00 O ATOM 630 CB ALA A 42 20.203 -1.441 2.526 1.00 0.00 C ATOM 0 H ALA A 42 20.190 0.980 1.985 1.00 0.00 H new ATOM 0 HA ALA A 42 21.426 -1.309 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.133 -2.528 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.017 -1.148 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.265 -1.027 2.897 1.00 0.00 H new ATOM 636 N PRO A 43 19.639 -2.507 -0.515 1.00 0.00 N ATOM 637 CA PRO A 43 18.693 -3.081 -1.476 1.00 0.00 C ATOM 638 C PRO A 43 17.451 -3.649 -0.799 1.00 0.00 C ATOM 639 O PRO A 43 16.325 -3.349 -1.193 1.00 0.00 O ATOM 640 CB PRO A 43 19.499 -4.201 -2.140 1.00 0.00 C ATOM 641 CG PRO A 43 20.528 -4.576 -1.131 1.00 0.00 C ATOM 642 CD PRO A 43 20.867 -3.311 -0.393 1.00 0.00 C ATOM 0 HA PRO A 43 18.318 -2.333 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 43 18.864 -5.050 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.959 -3.861 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.146 -5.335 -0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 43 21.411 -4.995 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.117 -3.508 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 43 21.725 -2.805 -0.836 1.00 0.00 H new ATOM 650 N GLY A 44 17.664 -4.471 0.225 1.00 0.00 N ATOM 651 CA GLY A 44 16.551 -5.068 0.941 1.00 0.00 C ATOM 652 C GLY A 44 15.354 -4.142 1.026 1.00 0.00 C ATOM 653 O GLY A 44 14.211 -4.580 0.896 1.00 0.00 O ATOM 0 H GLY A 44 18.587 -4.734 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.257 -5.992 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.872 -5.336 1.948 1.00 0.00 H new ATOM 657 N ALA A 45 15.615 -2.858 1.248 1.00 0.00 N ATOM 658 CA ALA A 45 14.550 -1.868 1.350 1.00 0.00 C ATOM 659 C ALA A 45 13.795 -1.735 0.032 1.00 0.00 C ATOM 660 O ALA A 45 12.566 -1.801 -0.002 1.00 0.00 O ATOM 661 CB ALA A 45 15.119 -0.522 1.773 1.00 0.00 C ATOM 0 H ALA A 45 16.555 -2.479 1.361 1.00 0.00 H new ATOM 0 HA ALA A 45 13.845 -2.207 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.312 0.208 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.606 -0.622 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.847 -0.186 1.034 1.00 0.00 H new ATOM 667 N THR A 46 14.539 -1.545 -1.054 1.00 0.00 N ATOM 668 CA THR A 46 13.940 -1.401 -2.375 1.00 0.00 C ATOM 669 C THR A 46 12.939 -2.517 -2.650 1.00 0.00 C ATOM 670 O THR A 46 11.802 -2.260 -3.041 1.00 0.00 O ATOM 671 CB THR A 46 15.012 -1.404 -3.481 1.00 0.00 C ATOM 672 OG1 THR A 46 16.213 -0.788 -3.001 1.00 0.00 O ATOM 673 CG2 THR A 46 14.517 -0.667 -4.716 1.00 0.00 C ATOM 0 H THR A 46 15.557 -1.487 -1.044 1.00 0.00 H new ATOM 0 HA THR A 46 13.422 -0.442 -2.384 1.00 0.00 H new ATOM 0 HB THR A 46 15.219 -2.439 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.890 -0.795 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.291 -0.682 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.620 -1.155 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.285 0.366 -4.455 1.00 0.00 H new ATOM 681 N GLU A 47 13.371 -3.757 -2.442 1.00 0.00 N ATOM 682 CA GLU A 47 12.511 -4.913 -2.668 1.00 0.00 C ATOM 683 C GLU A 47 11.104 -4.657 -2.133 1.00 0.00 C ATOM 684 O GLU A 47 10.118 -5.119 -2.705 1.00 0.00 O ATOM 685 CB GLU A 47 13.103 -6.156 -2.002 1.00 0.00 C ATOM 686 CG GLU A 47 14.218 -6.804 -2.806 1.00 0.00 C ATOM 687 CD GLU A 47 14.609 -8.167 -2.267 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.433 -8.222 -1.331 1.00 0.00 O ATOM 689 OE2 GLU A 47 14.090 -9.179 -2.783 1.00 0.00 O ATOM 0 H GLU A 47 14.310 -3.987 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 47 12.448 -5.082 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.486 -5.883 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.309 -6.886 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.901 -6.905 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.091 -6.151 -2.801 1.00 0.00 H new ATOM 696 N ALA A 48 11.022 -3.918 -1.031 1.00 0.00 N ATOM 697 CA ALA A 48 9.738 -3.600 -0.420 1.00 0.00 C ATOM 698 C ALA A 48 8.977 -2.568 -1.245 1.00 0.00 C ATOM 699 O ALA A 48 7.765 -2.679 -1.432 1.00 0.00 O ATOM 700 CB ALA A 48 9.941 -3.096 1.001 1.00 0.00 C ATOM 0 H ALA A 48 11.829 -3.529 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 48 9.142 -4.512 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.974 -2.862 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.436 -3.866 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.559 -2.198 0.984 1.00 0.00 H new ATOM 706 N PHE A 49 9.696 -1.564 -1.737 1.00 0.00 N ATOM 707 CA PHE A 49 9.088 -0.511 -2.542 1.00 0.00 C ATOM 708 C PHE A 49 8.128 -1.100 -3.573 1.00 0.00 C ATOM 709 O PHE A 49 7.088 -0.515 -3.875 1.00 0.00 O ATOM 710 CB PHE A 49 10.169 0.311 -3.246 1.00 0.00 C ATOM 711 CG PHE A 49 9.619 1.374 -4.153 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.363 1.915 -3.926 1.00 0.00 C ATOM 713 CD2 PHE A 49 10.357 1.833 -5.232 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.854 2.894 -4.758 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.853 2.813 -6.067 1.00 0.00 C ATOM 716 CZ PHE A 49 8.599 3.343 -5.831 1.00 0.00 C ATOM 0 H PHE A 49 10.700 -1.458 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 49 8.523 0.141 -1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.805 0.779 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.803 -0.359 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.775 1.567 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.337 1.421 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.874 3.308 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.439 3.164 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.202 4.106 -6.484 1.00 0.00 H new ATOM 726 N LYS A 50 8.486 -2.261 -4.110 1.00 0.00 N ATOM 727 CA LYS A 50 7.659 -2.932 -5.106 1.00 0.00 C ATOM 728 C LYS A 50 6.317 -3.344 -4.510 1.00 0.00 C ATOM 729 O LYS A 50 5.274 -3.205 -5.149 1.00 0.00 O ATOM 730 CB LYS A 50 8.384 -4.161 -5.657 1.00 0.00 C ATOM 731 CG LYS A 50 9.276 -3.858 -6.848 1.00 0.00 C ATOM 732 CD LYS A 50 9.930 -5.118 -7.390 1.00 0.00 C ATOM 733 CE LYS A 50 11.071 -5.582 -6.497 1.00 0.00 C ATOM 734 NZ LYS A 50 11.565 -6.932 -6.885 1.00 0.00 N ATOM 0 H LYS A 50 9.345 -2.758 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 50 7.475 -2.232 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.988 -4.602 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.645 -4.908 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.687 -3.386 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.046 -3.145 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.185 -5.910 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.307 -4.930 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.890 -4.865 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.736 -5.602 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.342 -7.212 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.790 -7.621 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.909 -6.907 -7.866 1.00 0.00 H new ATOM 748 N ALA A 51 6.350 -3.850 -3.282 1.00 0.00 N ATOM 749 CA ALA A 51 5.136 -4.280 -2.599 1.00 0.00 C ATOM 750 C ALA A 51 4.233 -3.091 -2.285 1.00 0.00 C ATOM 751 O ALA A 51 3.033 -3.123 -2.557 1.00 0.00 O ATOM 752 CB ALA A 51 5.486 -5.031 -1.323 1.00 0.00 C ATOM 0 H ALA A 51 7.205 -3.972 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 51 4.592 -4.951 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.570 -5.346 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.085 -5.908 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.054 -4.378 -0.661 1.00 0.00 H new ATOM 758 N ILE A 52 4.818 -2.045 -1.712 1.00 0.00 N ATOM 759 CA ILE A 52 4.066 -0.847 -1.361 1.00 0.00 C ATOM 760 C ILE A 52 3.084 -0.472 -2.466 1.00 0.00 C ATOM 761 O ILE A 52 1.876 -0.404 -2.241 1.00 0.00 O ATOM 762 CB ILE A 52 5.002 0.347 -1.095 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.197 -0.093 -0.247 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.242 1.472 -0.407 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.884 1.050 0.468 1.00 0.00 C ATOM 0 H ILE A 52 5.811 -2.003 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 52 3.514 -1.076 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 52 5.375 0.718 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.860 -0.822 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.920 -0.598 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.916 2.309 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.421 1.799 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.844 1.114 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.721 0.665 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.251 1.769 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.175 1.541 1.134 1.00 0.00 H new ATOM 777 N GLY A 53 3.611 -0.231 -3.663 1.00 0.00 N ATOM 778 CA GLY A 53 2.767 0.133 -4.786 1.00 0.00 C ATOM 779 C GLY A 53 1.607 -0.825 -4.973 1.00 0.00 C ATOM 780 O GLY A 53 0.467 -0.402 -5.169 1.00 0.00 O ATOM 0 H GLY A 53 4.608 -0.281 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.381 1.141 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.367 0.154 -5.696 1.00 0.00 H new ATOM 784 N THR A 54 1.896 -2.121 -4.914 1.00 0.00 N ATOM 785 CA THR A 54 0.870 -3.142 -5.081 1.00 0.00 C ATOM 786 C THR A 54 -0.307 -2.897 -4.143 1.00 0.00 C ATOM 787 O THR A 54 -1.444 -3.253 -4.452 1.00 0.00 O ATOM 788 CB THR A 54 1.432 -4.553 -4.823 1.00 0.00 C ATOM 789 OG1 THR A 54 2.460 -4.852 -5.774 1.00 0.00 O ATOM 790 CG2 THR A 54 0.332 -5.599 -4.912 1.00 0.00 C ATOM 0 H THR A 54 2.834 -2.488 -4.752 1.00 0.00 H new ATOM 0 HA THR A 54 0.528 -3.079 -6.114 1.00 0.00 H new ATOM 0 HB THR A 54 1.851 -4.575 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.268 -4.344 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.753 -6.587 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.434 -5.385 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.113 -5.576 -5.907 1.00 0.00 H new ATOM 798 N ALA A 55 -0.026 -2.287 -2.996 1.00 0.00 N ATOM 799 CA ALA A 55 -1.063 -1.992 -2.015 1.00 0.00 C ATOM 800 C ALA A 55 -1.865 -0.759 -2.417 1.00 0.00 C ATOM 801 O ALA A 55 -3.076 -0.837 -2.630 1.00 0.00 O ATOM 802 CB ALA A 55 -0.445 -1.795 -0.638 1.00 0.00 C ATOM 0 H ALA A 55 0.910 -1.988 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.746 -2.841 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.230 -1.575 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.078 -2.704 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.260 -0.965 -0.671 1.00 0.00 H new ATOM 808 N TYR A 56 -1.185 0.377 -2.518 1.00 0.00 N ATOM 809 CA TYR A 56 -1.836 1.627 -2.892 1.00 0.00 C ATOM 810 C TYR A 56 -2.630 1.462 -4.184 1.00 0.00 C ATOM 811 O TYR A 56 -3.742 1.975 -4.312 1.00 0.00 O ATOM 812 CB TYR A 56 -0.797 2.738 -3.057 1.00 0.00 C ATOM 813 CG TYR A 56 -1.379 4.042 -3.554 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.691 4.219 -4.896 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.616 5.097 -2.682 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.222 5.409 -5.355 1.00 0.00 C ATOM 817 CE2 TYR A 56 -2.148 6.290 -3.131 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.449 6.441 -4.469 1.00 0.00 C ATOM 819 OH TYR A 56 -2.978 7.628 -4.921 1.00 0.00 O ATOM 0 H TYR A 56 -0.183 0.458 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.527 1.900 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.306 2.910 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.028 2.404 -3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.515 3.413 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.380 4.982 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.458 5.530 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.327 7.100 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.297 8.155 -4.159 1.00 0.00 H new ATOM 829 N ALA A 57 -2.051 0.743 -5.140 1.00 0.00 N ATOM 830 CA ALA A 57 -2.704 0.507 -6.421 1.00 0.00 C ATOM 831 C ALA A 57 -4.043 -0.198 -6.233 1.00 0.00 C ATOM 832 O ALA A 57 -4.940 -0.082 -7.069 1.00 0.00 O ATOM 833 CB ALA A 57 -1.799 -0.308 -7.333 1.00 0.00 C ATOM 0 H ALA A 57 -1.130 0.314 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.895 1.474 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.300 -0.477 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.869 0.235 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.579 -1.267 -6.864 1.00 0.00 H new ATOM 839 N VAL A 58 -4.172 -0.930 -5.131 1.00 0.00 N ATOM 840 CA VAL A 58 -5.402 -1.654 -4.833 1.00 0.00 C ATOM 841 C VAL A 58 -6.450 -0.729 -4.224 1.00 0.00 C ATOM 842 O VAL A 58 -7.489 -0.466 -4.831 1.00 0.00 O ATOM 843 CB VAL A 58 -5.144 -2.826 -3.868 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.444 -3.543 -3.538 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.129 -3.791 -4.462 1.00 0.00 C ATOM 0 H VAL A 58 -3.439 -1.037 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.775 -2.048 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.733 -2.427 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.241 -4.368 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.136 -2.844 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.888 -3.932 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.958 -4.613 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.510 -4.185 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.190 -3.267 -4.641 1.00 0.00 H new ATOM 855 N LEU A 59 -6.171 -0.238 -3.022 1.00 0.00 N ATOM 856 CA LEU A 59 -7.089 0.659 -2.329 1.00 0.00 C ATOM 857 C LEU A 59 -7.395 1.887 -3.180 1.00 0.00 C ATOM 858 O LEU A 59 -8.535 2.347 -3.236 1.00 0.00 O ATOM 859 CB LEU A 59 -6.498 1.088 -0.986 1.00 0.00 C ATOM 860 CG LEU A 59 -6.048 -0.041 -0.058 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.264 0.515 1.120 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.248 -0.841 0.428 1.00 0.00 C ATOM 0 H LEU A 59 -5.316 -0.446 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.020 0.121 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.642 1.735 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.240 1.689 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.394 -0.708 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.953 -0.304 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.383 1.043 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.893 1.205 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.910 -1.640 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.927 -0.184 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.768 -1.272 -0.427 1.00 0.00 H new ATOM 874 N SER A 60 -6.369 2.413 -3.841 1.00 0.00 N ATOM 875 CA SER A 60 -6.528 3.590 -4.688 1.00 0.00 C ATOM 876 C SER A 60 -7.690 3.408 -5.659 1.00 0.00 C ATOM 877 O SER A 60 -8.409 4.357 -5.969 1.00 0.00 O ATOM 878 CB SER A 60 -5.238 3.864 -5.463 1.00 0.00 C ATOM 879 OG SER A 60 -5.401 4.953 -6.356 1.00 0.00 O ATOM 0 H SER A 60 -5.419 2.043 -3.807 1.00 0.00 H new ATOM 0 HA SER A 60 -6.746 4.443 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.429 4.080 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.948 2.973 -6.020 1.00 0.00 H new ATOM 0 HG SER A 60 -4.570 5.472 -6.395 1.00 0.00 H new ATOM 885 N ASN A 61 -7.867 2.180 -6.137 1.00 0.00 N ATOM 886 CA ASN A 61 -8.941 1.872 -7.074 1.00 0.00 C ATOM 887 C ASN A 61 -10.195 1.417 -6.333 1.00 0.00 C ATOM 888 O ASN A 61 -10.129 0.744 -5.304 1.00 0.00 O ATOM 889 CB ASN A 61 -8.493 0.787 -8.056 1.00 0.00 C ATOM 890 CG ASN A 61 -7.471 1.296 -9.053 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.618 1.107 -10.261 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.427 1.946 -8.551 1.00 0.00 N ATOM 0 H ASN A 61 -7.281 1.383 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.178 2.780 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.069 -0.049 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.362 0.406 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.706 2.312 -9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.346 2.080 -7.543 1.00 0.00 H new ATOM 899 N PRO A 62 -11.366 1.792 -6.868 1.00 0.00 N ATOM 900 CA PRO A 62 -12.658 1.434 -6.275 1.00 0.00 C ATOM 901 C PRO A 62 -12.963 -0.055 -6.407 1.00 0.00 C ATOM 902 O PRO A 62 -13.423 -0.689 -5.458 1.00 0.00 O ATOM 903 CB PRO A 62 -13.661 2.258 -7.086 1.00 0.00 C ATOM 904 CG PRO A 62 -12.990 2.493 -8.394 1.00 0.00 C ATOM 905 CD PRO A 62 -11.520 2.595 -8.093 1.00 0.00 C ATOM 0 HA PRO A 62 -12.685 1.637 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.601 1.722 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.896 3.198 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.191 1.677 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.357 3.406 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.914 2.202 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.213 3.629 -7.937 1.00 0.00 H new ATOM 913 N GLU A 63 -12.703 -0.605 -7.589 1.00 0.00 N ATOM 914 CA GLU A 63 -12.950 -2.020 -7.842 1.00 0.00 C ATOM 915 C GLU A 63 -12.032 -2.894 -6.994 1.00 0.00 C ATOM 916 O GLU A 63 -12.474 -3.864 -6.377 1.00 0.00 O ATOM 917 CB GLU A 63 -12.748 -2.338 -9.326 1.00 0.00 C ATOM 918 CG GLU A 63 -11.327 -2.102 -9.810 1.00 0.00 C ATOM 919 CD GLU A 63 -11.138 -2.477 -11.267 1.00 0.00 C ATOM 920 OE1 GLU A 63 -11.596 -3.569 -11.663 1.00 0.00 O ATOM 921 OE2 GLU A 63 -10.532 -1.678 -12.011 1.00 0.00 O ATOM 0 H GLU A 63 -12.322 -0.094 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.983 -2.236 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.016 -3.379 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.430 -1.727 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.070 -1.052 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.637 -2.682 -9.197 1.00 0.00 H new ATOM 928 N LYS A 64 -10.750 -2.544 -6.968 1.00 0.00 N ATOM 929 CA LYS A 64 -9.767 -3.295 -6.195 1.00 0.00 C ATOM 930 C LYS A 64 -9.913 -3.007 -4.704 1.00 0.00 C ATOM 931 O LYS A 64 -9.449 -3.780 -3.865 1.00 0.00 O ATOM 932 CB LYS A 64 -8.351 -2.945 -6.657 1.00 0.00 C ATOM 933 CG LYS A 64 -8.165 -3.023 -8.162 1.00 0.00 C ATOM 934 CD LYS A 64 -6.696 -3.115 -8.539 1.00 0.00 C ATOM 935 CE LYS A 64 -6.493 -2.941 -10.036 1.00 0.00 C ATOM 936 NZ LYS A 64 -5.056 -3.040 -10.416 1.00 0.00 N ATOM 0 H LYS A 64 -10.367 -1.745 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.945 -4.358 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.107 -1.937 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.644 -3.621 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.696 -3.892 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.607 -2.144 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.133 -2.351 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.299 -4.081 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.063 -3.701 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.885 -1.972 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.959 -2.916 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.515 -2.299 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.689 -3.974 -10.144 1.00 0.00 H new ATOM 950 N ARG A 65 -10.560 -1.892 -4.381 1.00 0.00 N ATOM 951 CA ARG A 65 -10.767 -1.504 -2.991 1.00 0.00 C ATOM 952 C ARG A 65 -12.003 -2.187 -2.414 1.00 0.00 C ATOM 953 O ARG A 65 -11.914 -2.939 -1.443 1.00 0.00 O ATOM 954 CB ARG A 65 -10.911 0.015 -2.880 1.00 0.00 C ATOM 955 CG ARG A 65 -11.322 0.488 -1.496 1.00 0.00 C ATOM 956 CD ARG A 65 -11.387 2.006 -1.422 1.00 0.00 C ATOM 957 NE ARG A 65 -11.961 2.468 -0.161 1.00 0.00 N ATOM 958 CZ ARG A 65 -13.250 2.367 0.142 1.00 0.00 C ATOM 959 NH1 ARG A 65 -14.096 1.821 -0.722 1.00 0.00 N ATOM 960 NH2 ARG A 65 -13.696 2.811 1.310 1.00 0.00 N ATOM 0 H ARG A 65 -10.950 -1.241 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.897 -1.823 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.963 0.482 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.650 0.355 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.295 0.068 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.611 0.117 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.384 2.418 -1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.984 2.384 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.337 2.892 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.757 1.478 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.086 1.744 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.048 3.231 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.686 2.733 1.541 1.00 0.00 H new ATOM 974 N LYS A 66 -13.156 -1.919 -3.017 1.00 0.00 N ATOM 975 CA LYS A 66 -14.411 -2.508 -2.564 1.00 0.00 C ATOM 976 C LYS A 66 -14.257 -4.007 -2.333 1.00 0.00 C ATOM 977 O LYS A 66 -14.680 -4.531 -1.302 1.00 0.00 O ATOM 978 CB LYS A 66 -15.518 -2.251 -3.590 1.00 0.00 C ATOM 979 CG LYS A 66 -15.520 -3.239 -4.743 1.00 0.00 C ATOM 980 CD LYS A 66 -16.674 -2.980 -5.697 1.00 0.00 C ATOM 981 CE LYS A 66 -17.942 -3.685 -5.242 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.864 -5.158 -5.450 1.00 0.00 N ATOM 0 H LYS A 66 -13.248 -1.298 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.683 -2.039 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.484 -2.291 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.406 -1.242 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.577 -3.170 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.590 -4.254 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.857 -1.908 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.405 -3.322 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.115 -3.476 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.796 -3.286 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.816 -5.570 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.477 -5.355 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.244 -5.578 -4.728 1.00 0.00 H new ATOM 996 N GLN A 67 -13.648 -4.691 -3.296 1.00 0.00 N ATOM 997 CA GLN A 67 -13.438 -6.130 -3.195 1.00 0.00 C ATOM 998 C GLN A 67 -12.498 -6.463 -2.041 1.00 0.00 C ATOM 999 O GLN A 67 -12.661 -7.482 -1.369 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.868 -6.677 -4.506 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.492 -6.129 -4.846 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.371 -6.948 -4.235 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.587 -7.714 -3.296 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.164 -6.789 -4.767 1.00 0.00 N ATOM 0 H GLN A 67 -13.291 -4.272 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.402 -6.600 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.812 -7.764 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.555 -6.440 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.372 -6.106 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.418 -5.100 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.031 -6.143 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.371 -7.313 -4.398 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.516 -5.598 -1.816 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.549 -5.802 -0.744 1.00 0.00 C ATOM 1015 C TYR A 68 -11.220 -5.702 0.622 1.00 0.00 C ATOM 1016 O TYR A 68 -11.010 -6.547 1.493 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.419 -4.776 -0.846 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.453 -4.821 0.317 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.713 -5.965 0.586 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.282 -3.719 1.146 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.830 -6.011 1.648 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.401 -3.756 2.209 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.677 -4.904 2.456 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.799 -4.944 3.515 1.00 0.00 O ATOM 0 H TYR A 68 -11.368 -4.749 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.132 -6.804 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.868 -4.945 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.851 -3.777 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.830 -6.833 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.847 -2.819 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.263 -6.909 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.280 -2.891 2.844 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.553 -5.874 3.701 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.029 -4.664 0.802 1.00 0.00 N ATOM 1035 CA ASP A 69 -12.734 -4.453 2.061 1.00 0.00 C ATOM 1036 C ASP A 69 -13.677 -5.615 2.357 1.00 0.00 C ATOM 1037 O ASP A 69 -13.620 -6.214 3.430 1.00 0.00 O ATOM 1038 CB ASP A 69 -13.519 -3.141 2.016 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.655 -2.501 3.384 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -13.867 -3.242 4.367 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.548 -1.260 3.471 1.00 0.00 O ATOM 0 H ASP A 69 -12.213 -3.955 0.092 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.994 -4.397 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.021 -2.446 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.511 -3.328 1.605 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.544 -5.926 1.399 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.501 -7.015 1.558 1.00 0.00 C ATOM 1048 C GLN A 70 -14.783 -8.352 1.710 1.00 0.00 C ATOM 1049 O GLN A 70 -14.887 -9.010 2.745 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.452 -7.065 0.362 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.703 -6.220 0.543 1.00 0.00 C ATOM 1052 CD GLN A 70 -17.410 -4.870 1.167 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -17.003 -3.932 0.481 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -17.616 -4.765 2.474 1.00 0.00 N ATOM 0 H GLN A 70 -14.604 -5.439 0.505 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.079 -6.829 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.921 -6.727 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.745 -8.100 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.180 -6.072 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.413 -6.759 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.954 -5.569 3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.436 -3.881 2.949 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.055 -8.748 0.671 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.321 -10.008 0.688 1.00 0.00 C ATOM 1065 C PHE A 71 -11.925 -9.816 1.271 1.00 0.00 C ATOM 1066 O PHE A 71 -11.635 -10.266 2.379 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.221 -10.583 -0.727 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.546 -10.990 -1.304 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.457 -10.035 -1.725 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -14.881 -12.329 -1.424 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.677 -10.407 -2.257 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -16.100 -12.707 -1.956 1.00 0.00 C ATOM 1073 CZ PHE A 71 -16.999 -11.745 -2.371 1.00 0.00 C ATOM 0 H PHE A 71 -13.958 -8.215 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.866 -10.709 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.762 -9.841 -1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.559 -11.449 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.211 -8.987 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -14.182 -13.086 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.378 -9.652 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -16.349 -13.754 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.953 -12.038 -2.784 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.061 -9.143 0.516 1.00 0.00 N ATOM 1084 CA GLY A 72 -9.705 -8.904 0.974 1.00 0.00 C ATOM 1085 C GLY A 72 -8.745 -9.993 0.538 1.00 0.00 C ATOM 1086 O GLY A 72 -9.152 -10.979 -0.076 1.00 0.00 O ATOM 0 H GLY A 72 -11.276 -8.759 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.359 -7.944 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.699 -8.833 2.062 1.00 0.00 H new ATOM 1090 N SER A 73 -7.467 -9.815 0.856 1.00 0.00 N ATOM 1091 CA SER A 73 -6.445 -10.789 0.489 1.00 0.00 C ATOM 1092 C SER A 73 -6.834 -12.188 0.958 1.00 0.00 C ATOM 1093 O SER A 73 -6.629 -12.546 2.117 1.00 0.00 O ATOM 1094 CB SER A 73 -5.095 -10.395 1.091 1.00 0.00 C ATOM 1095 OG SER A 73 -4.101 -11.359 0.790 1.00 0.00 O ATOM 0 H SER A 73 -7.114 -9.006 1.367 1.00 0.00 H new ATOM 0 HA SER A 73 -6.362 -10.799 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.791 -9.422 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.191 -10.293 2.172 1.00 0.00 H new ATOM 0 HG SER A 73 -3.248 -11.083 1.185 1.00 0.00 H new ATOM 1101 N GLY A 74 -7.398 -12.975 0.047 1.00 0.00 N ATOM 1102 CA GLY A 74 -7.808 -14.326 0.385 1.00 0.00 C ATOM 1103 C GLY A 74 -8.970 -14.807 -0.460 1.00 0.00 C ATOM 1104 O GLY A 74 -10.131 -14.736 -0.056 1.00 0.00 O ATOM 0 H GLY A 74 -7.578 -12.701 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.963 -15.002 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.088 -14.365 1.438 1.00 0.00 H new ATOM 1108 N PRO A 75 -8.663 -15.310 -1.665 1.00 0.00 N ATOM 1109 CA PRO A 75 -9.678 -15.814 -2.595 1.00 0.00 C ATOM 1110 C PRO A 75 -10.317 -17.110 -2.109 1.00 0.00 C ATOM 1111 O PRO A 75 -11.154 -17.697 -2.795 1.00 0.00 O ATOM 1112 CB PRO A 75 -8.889 -16.058 -3.884 1.00 0.00 C ATOM 1113 CG PRO A 75 -7.487 -16.285 -3.432 1.00 0.00 C ATOM 1114 CD PRO A 75 -7.301 -15.426 -2.212 1.00 0.00 C ATOM 0 HA PRO A 75 -10.506 -15.115 -2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.275 -16.921 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.955 -15.203 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.318 -17.336 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.776 -16.013 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.619 -15.886 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.886 -14.451 -2.467 1.00 0.00 H new ATOM 1122 N SER A 76 -9.918 -17.552 -0.920 1.00 0.00 N ATOM 1123 CA SER A 76 -10.450 -18.781 -0.344 1.00 0.00 C ATOM 1124 C SER A 76 -11.155 -18.500 0.979 1.00 0.00 C ATOM 1125 O SER A 76 -10.653 -17.749 1.816 1.00 0.00 O ATOM 1126 CB SER A 76 -9.326 -19.797 -0.129 1.00 0.00 C ATOM 1127 OG SER A 76 -9.834 -21.021 0.374 1.00 0.00 O ATOM 0 H SER A 76 -9.228 -17.077 -0.337 1.00 0.00 H new ATOM 0 HA SER A 76 -11.177 -19.195 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.807 -19.975 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.592 -19.391 0.567 1.00 0.00 H new ATOM 0 HG SER A 76 -9.096 -21.654 0.501 1.00 0.00 H new ATOM 1133 N SER A 77 -12.323 -19.108 1.161 1.00 0.00 N ATOM 1134 CA SER A 77 -13.101 -18.920 2.380 1.00 0.00 C ATOM 1135 C SER A 77 -12.543 -19.772 3.517 1.00 0.00 C ATOM 1136 O SER A 77 -11.761 -20.694 3.290 1.00 0.00 O ATOM 1137 CB SER A 77 -14.568 -19.275 2.134 1.00 0.00 C ATOM 1138 OG SER A 77 -15.419 -18.580 3.030 1.00 0.00 O ATOM 0 H SER A 77 -12.751 -19.735 0.480 1.00 0.00 H new ATOM 0 HA SER A 77 -13.032 -17.871 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.838 -19.029 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.710 -20.349 2.252 1.00 0.00 H new ATOM 0 HG SER A 77 -16.351 -18.823 2.851 1.00 0.00 H new ATOM 1144 N GLY A 78 -12.953 -19.455 4.741 1.00 0.00 N ATOM 1145 CA GLY A 78 -12.485 -20.200 5.896 1.00 0.00 C ATOM 1146 C GLY A 78 -13.624 -20.763 6.723 1.00 0.00 C ATOM 1147 O GLY A 78 -13.706 -20.518 7.926 1.00 0.00 O ATOM 0 H GLY A 78 -13.600 -18.696 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.844 -21.016 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.873 -19.549 6.521 1.00 0.00 H new TER 1151 GLY A 78