USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 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 77 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.121 (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 42:sc= 0.404 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.123) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -48:sc= 0.0183 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.9!) USER MOD Single : A 48 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -150:sc= -0.686 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 90 SER OG : rot 69:sc= -0.573 USER MOD Single : A 95 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 105 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.6!) USER MOD Single : A 107 SER OG : rot -67:sc= 0.329 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.130 30.403 44.270 1.00 0.00 N ATOM 2 CA GLY A 1 -13.304 31.148 43.334 1.00 0.00 C ATOM 3 C GLY A 1 -13.732 30.877 41.890 1.00 0.00 C ATOM 4 O GLY A 1 -14.813 30.342 41.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.550 31.058 44.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.887 29.913 43.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.544 29.704 44.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.380 32.215 43.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.258 30.870 43.465 1.00 0.00 H new ATOM 8 N SER A 2 -12.861 31.258 40.967 1.00 0.00 N ATOM 9 CA SER A 2 -13.135 31.063 39.554 1.00 0.00 C ATOM 10 C SER A 2 -11.823 30.987 38.772 1.00 0.00 C ATOM 11 O SER A 2 -10.924 31.800 38.981 1.00 0.00 O ATOM 12 CB SER A 2 -14.017 32.185 39.003 1.00 0.00 C ATOM 13 OG SER A 2 -15.199 31.682 38.386 1.00 0.00 O ATOM 0 H SER A 2 -11.965 31.701 41.171 1.00 0.00 H new ATOM 0 HA SER A 2 -13.675 30.123 39.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.291 32.862 39.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.450 32.769 38.278 1.00 0.00 H new ATOM 0 HG SER A 2 -15.736 32.430 38.049 1.00 0.00 H new ATOM 19 N SER A 3 -11.754 30.004 37.887 1.00 0.00 N ATOM 20 CA SER A 3 -10.566 29.812 37.072 1.00 0.00 C ATOM 21 C SER A 3 -10.898 28.940 35.860 1.00 0.00 C ATOM 22 O SER A 3 -11.913 28.246 35.849 1.00 0.00 O ATOM 23 CB SER A 3 -9.435 29.180 37.887 1.00 0.00 C ATOM 24 OG SER A 3 -9.644 27.786 38.098 1.00 0.00 O ATOM 0 H SER A 3 -12.502 29.331 37.716 1.00 0.00 H new ATOM 0 HA SER A 3 -10.227 30.789 36.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.487 29.330 37.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.356 29.685 38.850 1.00 0.00 H new ATOM 0 HG SER A 3 -8.900 27.419 38.620 1.00 0.00 H new ATOM 30 N GLY A 4 -10.022 29.004 34.868 1.00 0.00 N ATOM 31 CA GLY A 4 -10.209 28.228 33.653 1.00 0.00 C ATOM 32 C GLY A 4 -8.948 27.433 33.310 1.00 0.00 C ATOM 33 O GLY A 4 -7.836 27.867 33.608 1.00 0.00 O ATOM 0 H GLY A 4 -9.181 29.581 34.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.050 27.546 33.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.459 28.894 32.827 1.00 0.00 H new ATOM 37 N SER A 5 -9.163 26.283 32.688 1.00 0.00 N ATOM 38 CA SER A 5 -8.057 25.424 32.301 1.00 0.00 C ATOM 39 C SER A 5 -8.549 24.338 31.342 1.00 0.00 C ATOM 40 O SER A 5 -9.186 23.374 31.764 1.00 0.00 O ATOM 41 CB SER A 5 -7.397 24.790 33.527 1.00 0.00 C ATOM 42 OG SER A 5 -8.342 24.113 34.352 1.00 0.00 O ATOM 0 H SER A 5 -10.087 25.926 32.443 1.00 0.00 H new ATOM 0 HA SER A 5 -7.310 26.035 31.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.630 24.087 33.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.896 25.563 34.109 1.00 0.00 H new ATOM 0 HG SER A 5 -8.973 23.618 33.789 1.00 0.00 H new ATOM 48 N SER A 6 -8.235 24.530 30.069 1.00 0.00 N ATOM 49 CA SER A 6 -8.637 23.579 29.047 1.00 0.00 C ATOM 50 C SER A 6 -7.718 23.700 27.830 1.00 0.00 C ATOM 51 O SER A 6 -7.415 24.805 27.383 1.00 0.00 O ATOM 52 CB SER A 6 -10.095 23.797 28.635 1.00 0.00 C ATOM 53 OG SER A 6 -10.870 22.609 28.768 1.00 0.00 O ATOM 0 H SER A 6 -7.707 25.331 29.722 1.00 0.00 H new ATOM 0 HA SER A 6 -8.551 22.574 29.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.531 24.585 29.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.132 24.140 27.601 1.00 0.00 H new ATOM 0 HG SER A 6 -11.794 22.789 28.497 1.00 0.00 H new ATOM 59 N GLY A 7 -7.300 22.547 27.328 1.00 0.00 N ATOM 60 CA GLY A 7 -6.422 22.509 26.171 1.00 0.00 C ATOM 61 C GLY A 7 -7.100 23.128 24.947 1.00 0.00 C ATOM 62 O GLY A 7 -8.211 23.646 25.044 1.00 0.00 O ATOM 0 H GLY A 7 -7.553 21.632 27.702 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.500 23.047 26.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.144 21.477 25.954 1.00 0.00 H new ATOM 66 N ALA A 8 -6.402 23.055 23.824 1.00 0.00 N ATOM 67 CA ALA A 8 -6.922 23.602 22.582 1.00 0.00 C ATOM 68 C ALA A 8 -6.155 22.999 21.403 1.00 0.00 C ATOM 69 O ALA A 8 -4.936 22.852 21.462 1.00 0.00 O ATOM 70 CB ALA A 8 -6.830 25.128 22.618 1.00 0.00 C ATOM 0 H ALA A 8 -5.480 22.625 23.748 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.973 23.342 22.459 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.220 25.538 21.686 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.416 25.508 23.455 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.789 25.427 22.738 1.00 0.00 H new ATOM 76 N ILE A 9 -6.902 22.667 20.360 1.00 0.00 N ATOM 77 CA ILE A 9 -6.307 22.085 19.169 1.00 0.00 C ATOM 78 C ILE A 9 -5.203 23.008 18.652 1.00 0.00 C ATOM 79 O ILE A 9 -5.319 24.229 18.738 1.00 0.00 O ATOM 80 CB ILE A 9 -7.386 21.773 18.130 1.00 0.00 C ATOM 81 CG1 ILE A 9 -8.216 23.018 17.811 1.00 0.00 C ATOM 82 CG2 ILE A 9 -8.260 20.601 18.580 1.00 0.00 C ATOM 83 CD1 ILE A 9 -8.472 23.136 16.307 1.00 0.00 C ATOM 0 H ILE A 9 -7.914 22.790 20.315 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.838 21.130 19.405 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.893 21.469 17.207 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.166 22.972 18.343 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.695 23.907 18.166 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.018 20.401 17.823 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.639 19.715 18.715 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.746 20.851 19.523 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.064 24.029 16.108 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.520 23.206 15.780 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.014 22.256 15.960 1.00 0.00 H new ATOM 95 N TYR A 10 -4.156 22.388 18.126 1.00 0.00 N ATOM 96 CA TYR A 10 -3.031 23.139 17.595 1.00 0.00 C ATOM 97 C TYR A 10 -2.560 22.552 16.263 1.00 0.00 C ATOM 98 O TYR A 10 -1.658 21.715 16.234 1.00 0.00 O ATOM 99 CB TYR A 10 -1.908 23.002 18.625 1.00 0.00 C ATOM 100 CG TYR A 10 -0.506 23.205 18.048 1.00 0.00 C ATOM 101 CD1 TYR A 10 -0.099 24.462 17.650 1.00 0.00 C ATOM 102 CD2 TYR A 10 0.352 22.131 17.925 1.00 0.00 C ATOM 103 CE1 TYR A 10 1.221 24.653 17.107 1.00 0.00 C ATOM 104 CE2 TYR A 10 1.672 22.322 17.382 1.00 0.00 C ATOM 105 CZ TYR A 10 2.041 23.573 16.999 1.00 0.00 C ATOM 106 OH TYR A 10 3.288 23.754 16.486 1.00 0.00 O ATOM 0 H TYR A 10 -4.063 21.375 18.056 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.312 24.177 17.419 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.070 23.727 19.422 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.963 22.012 19.078 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.770 25.303 17.746 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.033 21.147 18.236 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.552 25.632 16.793 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.353 21.490 17.281 1.00 0.00 H new ATOM 0 HH TYR A 10 3.762 22.897 16.469 1.00 0.00 H new ATOM 116 N VAL A 11 -3.190 23.013 15.193 1.00 0.00 N ATOM 117 CA VAL A 11 -2.846 22.544 13.862 1.00 0.00 C ATOM 118 C VAL A 11 -3.221 21.066 13.734 1.00 0.00 C ATOM 119 O VAL A 11 -2.750 20.234 14.507 1.00 0.00 O ATOM 120 CB VAL A 11 -1.367 22.813 13.578 1.00 0.00 C ATOM 121 CG1 VAL A 11 -0.761 21.697 12.724 1.00 0.00 C ATOM 122 CG2 VAL A 11 -1.175 24.177 12.913 1.00 0.00 C ATOM 0 H VAL A 11 -3.937 23.707 15.221 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.412 23.089 13.107 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.841 22.829 14.532 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.291 21.913 12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.848 20.747 13.251 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.293 21.635 11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.115 24.343 12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.722 24.202 11.970 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.552 24.959 13.572 1.00 0.00 H new ATOM 132 N ASP A 12 -4.065 20.785 12.752 1.00 0.00 N ATOM 133 CA ASP A 12 -4.509 19.422 12.513 1.00 0.00 C ATOM 134 C ASP A 12 -4.302 19.074 11.038 1.00 0.00 C ATOM 135 O ASP A 12 -5.175 19.326 10.209 1.00 0.00 O ATOM 136 CB ASP A 12 -5.996 19.263 12.833 1.00 0.00 C ATOM 137 CG ASP A 12 -6.898 20.370 12.282 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.008 21.407 12.971 1.00 0.00 O ATOM 139 OD2 ASP A 12 -7.457 20.154 11.186 1.00 0.00 O ATOM 0 H ASP A 12 -4.453 21.478 12.112 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.929 18.761 13.157 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.337 18.306 12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.117 19.222 13.915 1.00 0.00 H new ATOM 144 N LEU A 13 -3.141 18.501 10.755 1.00 0.00 N ATOM 145 CA LEU A 13 -2.808 18.116 9.394 1.00 0.00 C ATOM 146 C LEU A 13 -3.957 17.294 8.806 1.00 0.00 C ATOM 147 O LEU A 13 -4.671 16.608 9.536 1.00 0.00 O ATOM 148 CB LEU A 13 -1.457 17.401 9.355 1.00 0.00 C ATOM 149 CG LEU A 13 -0.256 18.207 9.855 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.665 17.341 10.717 1.00 0.00 C ATOM 151 CD2 LEU A 13 0.492 18.856 8.689 1.00 0.00 C ATOM 0 H LEU A 13 -2.419 18.294 11.445 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.693 18.999 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.532 16.492 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.261 17.094 8.328 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.625 19.013 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.510 17.938 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.112 16.968 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.030 16.500 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.341 19.423 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.849 18.082 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.180 19.526 8.154 1.00 0.00 H new ATOM 163 N PRO A 14 -4.103 17.392 7.458 1.00 0.00 N ATOM 164 CA PRO A 14 -5.152 16.665 6.763 1.00 0.00 C ATOM 165 C PRO A 14 -4.808 15.178 6.653 1.00 0.00 C ATOM 166 O PRO A 14 -3.638 14.803 6.701 1.00 0.00 O ATOM 167 CB PRO A 14 -5.275 17.349 5.411 1.00 0.00 C ATOM 168 CG PRO A 14 -3.984 18.127 5.219 1.00 0.00 C ATOM 169 CD PRO A 14 -3.275 18.194 6.561 1.00 0.00 C ATOM 0 HA PRO A 14 -6.104 16.689 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.413 16.618 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.139 18.013 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.351 17.639 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.195 19.130 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.263 17.796 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.190 19.222 6.913 1.00 0.00 H new ATOM 177 N ASN A 15 -5.850 14.372 6.507 1.00 0.00 N ATOM 178 CA ASN A 15 -5.673 12.935 6.389 1.00 0.00 C ATOM 179 C ASN A 15 -6.795 12.357 5.525 1.00 0.00 C ATOM 180 O ASN A 15 -7.863 12.956 5.405 1.00 0.00 O ATOM 181 CB ASN A 15 -5.735 12.258 7.760 1.00 0.00 C ATOM 182 CG ASN A 15 -6.768 12.939 8.661 1.00 0.00 C ATOM 183 OD1 ASN A 15 -7.965 12.745 8.532 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.238 13.744 9.577 1.00 0.00 N ATOM 0 H ASN A 15 -6.819 14.687 6.468 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.697 12.751 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.991 11.205 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.754 12.295 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.843 14.245 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.226 13.861 9.629 1.00 0.00 H new ATOM 191 N ARG A 16 -6.515 11.199 4.945 1.00 0.00 N ATOM 192 CA ARG A 16 -7.488 10.533 4.095 1.00 0.00 C ATOM 193 C ARG A 16 -7.345 9.014 4.214 1.00 0.00 C ATOM 194 O ARG A 16 -6.233 8.497 4.306 1.00 0.00 O ATOM 195 CB ARG A 16 -7.312 10.942 2.632 1.00 0.00 C ATOM 196 CG ARG A 16 -8.397 10.314 1.753 1.00 0.00 C ATOM 197 CD ARG A 16 -9.760 10.954 2.023 1.00 0.00 C ATOM 198 NE ARG A 16 -9.877 12.228 1.279 1.00 0.00 N ATOM 199 CZ ARG A 16 -10.964 13.012 1.299 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.033 12.658 2.025 1.00 0.00 N ATOM 201 NH2 ARG A 16 -10.982 14.151 0.593 1.00 0.00 N ATOM 0 H ARG A 16 -5.628 10.705 5.047 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.481 10.835 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.353 12.028 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.328 10.632 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.135 10.437 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.450 9.242 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.557 10.273 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.881 11.135 3.091 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.081 12.528 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.020 11.791 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.860 13.255 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.168 14.421 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.809 14.747 0.608 1.00 0.00 H new ATOM 215 N GLN A 17 -8.487 8.342 4.208 1.00 0.00 N ATOM 216 CA GLN A 17 -8.503 6.893 4.314 1.00 0.00 C ATOM 217 C GLN A 17 -9.399 6.291 3.230 1.00 0.00 C ATOM 218 O GLN A 17 -10.450 6.845 2.911 1.00 0.00 O ATOM 219 CB GLN A 17 -8.954 6.450 5.708 1.00 0.00 C ATOM 220 CG GLN A 17 -8.364 5.085 6.067 1.00 0.00 C ATOM 221 CD GLN A 17 -8.928 4.576 7.395 1.00 0.00 C ATOM 222 OE1 GLN A 17 -8.253 4.532 8.410 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.200 4.195 7.331 1.00 0.00 N ATOM 0 H GLN A 17 -9.408 8.774 4.131 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.488 6.526 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.644 7.190 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.042 6.400 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.586 4.369 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.279 5.160 6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.707 4.258 6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.668 3.840 8.164 1.00 0.00 H new ATOM 232 N LEU A 18 -8.952 5.165 2.695 1.00 0.00 N ATOM 233 CA LEU A 18 -9.700 4.482 1.654 1.00 0.00 C ATOM 234 C LEU A 18 -9.646 2.973 1.898 1.00 0.00 C ATOM 235 O LEU A 18 -8.770 2.488 2.613 1.00 0.00 O ATOM 236 CB LEU A 18 -9.197 4.899 0.270 1.00 0.00 C ATOM 237 CG LEU A 18 -9.211 6.401 -0.024 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.969 6.817 -0.814 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.505 6.808 -0.733 1.00 0.00 C ATOM 0 H LEU A 18 -8.080 4.708 2.963 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.750 4.773 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.176 4.535 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.804 4.396 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.182 6.936 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.004 7.889 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.075 6.583 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.942 6.276 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.490 7.880 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.589 6.266 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.358 6.568 -0.099 1.00 0.00 H new ATOM 251 N LYS A 19 -10.592 2.272 1.291 1.00 0.00 N ATOM 252 CA LYS A 19 -10.663 0.828 1.434 1.00 0.00 C ATOM 253 C LYS A 19 -10.303 0.170 0.101 1.00 0.00 C ATOM 254 O LYS A 19 -10.857 0.524 -0.939 1.00 0.00 O ATOM 255 CB LYS A 19 -12.030 0.410 1.978 1.00 0.00 C ATOM 256 CG LYS A 19 -13.138 0.713 0.967 1.00 0.00 C ATOM 257 CD LYS A 19 -13.504 -0.536 0.163 1.00 0.00 C ATOM 258 CE LYS A 19 -14.813 -1.148 0.665 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.967 -0.570 -0.060 1.00 0.00 N ATOM 0 H LYS A 19 -11.316 2.678 0.698 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.935 0.481 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.024 -0.655 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.230 0.936 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.020 1.085 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.812 1.503 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.600 -0.278 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.702 -1.270 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.793 -2.229 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.920 -0.966 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.800 -1.178 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.170 0.380 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.743 -0.505 -1.074 1.00 0.00 H new ATOM 273 N VAL A 20 -9.379 -0.777 0.175 1.00 0.00 N ATOM 274 CA VAL A 20 -8.940 -1.488 -1.014 1.00 0.00 C ATOM 275 C VAL A 20 -9.506 -2.909 -0.991 1.00 0.00 C ATOM 276 O VAL A 20 -8.956 -3.791 -0.334 1.00 0.00 O ATOM 277 CB VAL A 20 -7.413 -1.455 -1.108 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.935 -2.001 -2.455 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.879 -0.041 -0.870 1.00 0.00 C ATOM 0 H VAL A 20 -8.922 -1.068 1.039 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.319 -1.001 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.015 -2.100 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.846 -1.966 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.270 -3.032 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.348 -1.394 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.791 -0.046 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.290 0.634 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.175 0.297 0.123 1.00 0.00 H new ATOM 289 N LYS A 21 -10.600 -3.087 -1.718 1.00 0.00 N ATOM 290 CA LYS A 21 -11.247 -4.386 -1.790 1.00 0.00 C ATOM 291 C LYS A 21 -10.274 -5.404 -2.387 1.00 0.00 C ATOM 292 O LYS A 21 -10.079 -5.444 -3.601 1.00 0.00 O ATOM 293 CB LYS A 21 -12.572 -4.283 -2.549 1.00 0.00 C ATOM 294 CG LYS A 21 -13.694 -3.794 -1.631 1.00 0.00 C ATOM 295 CD LYS A 21 -14.811 -3.128 -2.437 1.00 0.00 C ATOM 296 CE LYS A 21 -16.177 -3.703 -2.059 1.00 0.00 C ATOM 297 NZ LYS A 21 -17.237 -3.125 -2.915 1.00 0.00 N ATOM 0 H LYS A 21 -11.054 -2.353 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.504 -4.739 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.461 -3.598 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.835 -5.257 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.099 -4.634 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.293 -3.086 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.803 -2.053 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.633 -3.275 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.164 -4.787 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.391 -3.490 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.158 -3.526 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.259 -2.093 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.040 -3.350 -3.911 1.00 0.00 H new ATOM 311 N VAL A 22 -9.688 -6.201 -1.506 1.00 0.00 N ATOM 312 CA VAL A 22 -8.739 -7.217 -1.930 1.00 0.00 C ATOM 313 C VAL A 22 -9.452 -8.567 -2.025 1.00 0.00 C ATOM 314 O VAL A 22 -10.679 -8.632 -1.955 1.00 0.00 O ATOM 315 CB VAL A 22 -7.538 -7.240 -0.983 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.910 -5.850 -0.860 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.934 -7.786 0.391 1.00 0.00 C ATOM 0 H VAL A 22 -9.852 -6.164 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.349 -6.985 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.790 -7.909 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.058 -5.894 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.575 -5.514 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.649 -5.150 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.062 -7.792 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.709 -7.153 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.313 -8.802 0.283 1.00 0.00 H new ATOM 327 N ALA A 23 -8.653 -9.613 -2.181 1.00 0.00 N ATOM 328 CA ALA A 23 -9.193 -10.958 -2.286 1.00 0.00 C ATOM 329 C ALA A 23 -8.496 -11.862 -1.268 1.00 0.00 C ATOM 330 O ALA A 23 -9.155 -12.542 -0.482 1.00 0.00 O ATOM 331 CB ALA A 23 -9.031 -11.463 -3.721 1.00 0.00 C ATOM 0 H ALA A 23 -7.636 -9.556 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.259 -10.963 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.436 -12.472 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.568 -10.802 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.974 -11.475 -3.985 1.00 0.00 H new ATOM 337 N ASP A 24 -7.172 -11.842 -1.315 1.00 0.00 N ATOM 338 CA ASP A 24 -6.378 -12.653 -0.406 1.00 0.00 C ATOM 339 C ASP A 24 -5.019 -11.985 -0.189 1.00 0.00 C ATOM 340 O ASP A 24 -4.499 -11.321 -1.084 1.00 0.00 O ATOM 341 CB ASP A 24 -6.132 -14.048 -0.984 1.00 0.00 C ATOM 342 CG ASP A 24 -5.414 -14.071 -2.335 1.00 0.00 C ATOM 343 OD1 ASP A 24 -6.086 -13.754 -3.340 1.00 0.00 O ATOM 344 OD2 ASP A 24 -4.210 -14.404 -2.332 1.00 0.00 O ATOM 0 H ASP A 24 -6.629 -11.277 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.926 -12.743 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.545 -14.623 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.091 -14.555 -1.091 1.00 0.00 H new ATOM 349 N ARG A 25 -4.482 -12.183 1.006 1.00 0.00 N ATOM 350 CA ARG A 25 -3.194 -11.609 1.352 1.00 0.00 C ATOM 351 C ARG A 25 -2.088 -12.228 0.494 1.00 0.00 C ATOM 352 O ARG A 25 -1.314 -11.511 -0.138 1.00 0.00 O ATOM 353 CB ARG A 25 -2.869 -11.835 2.830 1.00 0.00 C ATOM 354 CG ARG A 25 -2.437 -10.530 3.503 1.00 0.00 C ATOM 355 CD ARG A 25 -2.593 -10.618 5.022 1.00 0.00 C ATOM 356 NE ARG A 25 -1.537 -9.822 5.686 1.00 0.00 N ATOM 357 CZ ARG A 25 -0.244 -10.172 5.723 1.00 0.00 C ATOM 358 NH1 ARG A 25 0.161 -11.306 5.135 1.00 0.00 N ATOM 359 NH2 ARG A 25 0.645 -9.388 6.349 1.00 0.00 N ATOM 0 H ARG A 25 -4.916 -12.733 1.747 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.248 -10.537 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.743 -12.239 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.075 -12.576 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.398 -10.314 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.036 -9.704 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.576 -10.251 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.532 -11.658 5.343 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.810 -8.953 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.515 -11.903 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.145 -11.572 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.337 -8.525 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.629 -9.654 6.377 1.00 0.00 H new ATOM 373 N ARG A 26 -2.051 -13.552 0.500 1.00 0.00 N ATOM 374 CA ARG A 26 -1.053 -14.276 -0.270 1.00 0.00 C ATOM 375 C ARG A 26 -1.179 -15.780 -0.021 1.00 0.00 C ATOM 376 O ARG A 26 -0.956 -16.249 1.093 1.00 0.00 O ATOM 377 CB ARG A 26 0.361 -13.822 0.096 1.00 0.00 C ATOM 378 CG ARG A 26 1.155 -13.437 -1.154 1.00 0.00 C ATOM 379 CD ARG A 26 2.494 -12.799 -0.779 1.00 0.00 C ATOM 380 NE ARG A 26 3.522 -13.153 -1.783 1.00 0.00 N ATOM 381 CZ ARG A 26 3.555 -12.662 -3.029 1.00 0.00 C ATOM 382 NH1 ARG A 26 2.618 -11.794 -3.432 1.00 0.00 N ATOM 383 NH2 ARG A 26 4.526 -13.040 -3.872 1.00 0.00 N ATOM 0 H ARG A 26 -2.696 -14.143 1.025 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.229 -14.063 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.309 -12.971 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.877 -14.622 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.329 -14.322 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.573 -12.741 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.387 -11.716 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.805 -13.141 0.208 1.00 0.00 H new ATOM 0 HE ARG A 26 4.251 -13.812 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.879 -11.507 -2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.643 -11.420 -4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.239 -13.701 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.552 -12.667 -4.821 1.00 0.00 H new ATOM 397 N VAL A 27 -1.536 -16.494 -1.079 1.00 0.00 N ATOM 398 CA VAL A 27 -1.695 -17.936 -0.989 1.00 0.00 C ATOM 399 C VAL A 27 -0.396 -18.615 -1.428 1.00 0.00 C ATOM 400 O VAL A 27 -0.378 -19.817 -1.691 1.00 0.00 O ATOM 401 CB VAL A 27 -2.908 -18.381 -1.807 1.00 0.00 C ATOM 402 CG1 VAL A 27 -2.836 -17.837 -3.235 1.00 0.00 C ATOM 403 CG2 VAL A 27 -3.041 -19.905 -1.807 1.00 0.00 C ATOM 0 H VAL A 27 -1.720 -16.101 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.887 -18.236 0.041 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.799 -17.967 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.710 -18.168 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.813 -16.748 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.933 -18.207 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.911 -20.194 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.145 -20.348 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.161 -20.260 -0.783 1.00 0.00 H new ATOM 413 N ILE A 28 0.659 -17.817 -1.494 1.00 0.00 N ATOM 414 CA ILE A 28 1.959 -18.327 -1.896 1.00 0.00 C ATOM 415 C ILE A 28 2.755 -18.721 -0.651 1.00 0.00 C ATOM 416 O ILE A 28 2.882 -17.933 0.285 1.00 0.00 O ATOM 417 CB ILE A 28 2.678 -17.314 -2.790 1.00 0.00 C ATOM 418 CG1 ILE A 28 3.475 -18.021 -3.888 1.00 0.00 C ATOM 419 CG2 ILE A 28 3.555 -16.375 -1.960 1.00 0.00 C ATOM 420 CD1 ILE A 28 2.587 -18.337 -5.094 1.00 0.00 C ATOM 0 H ILE A 28 0.640 -16.821 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 28 1.845 -19.227 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 28 1.925 -16.699 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.308 -17.391 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.903 -18.943 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.054 -15.665 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.934 -15.833 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.302 -16.957 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.178 -18.839 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.769 -18.987 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.181 -17.410 -5.499 1.00 0.00 H new ATOM 432 N SER A 29 3.272 -19.941 -0.680 1.00 0.00 N ATOM 433 CA SER A 29 4.052 -20.450 0.435 1.00 0.00 C ATOM 434 C SER A 29 5.263 -19.548 0.682 1.00 0.00 C ATOM 435 O SER A 29 6.220 -19.562 -0.090 1.00 0.00 O ATOM 436 CB SER A 29 4.506 -21.889 0.179 1.00 0.00 C ATOM 437 OG SER A 29 3.935 -22.803 1.110 1.00 0.00 O ATOM 0 H SER A 29 3.166 -20.592 -1.458 1.00 0.00 H new ATOM 0 HA SER A 29 3.419 -20.450 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.228 -22.182 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.593 -21.942 0.239 1.00 0.00 H new ATOM 0 HG SER A 29 4.248 -23.710 0.912 1.00 0.00 H new ATOM 443 N THR A 30 5.181 -18.784 1.762 1.00 0.00 N ATOM 444 CA THR A 30 6.258 -17.877 2.120 1.00 0.00 C ATOM 445 C THR A 30 6.973 -18.369 3.380 1.00 0.00 C ATOM 446 O THR A 30 6.347 -18.544 4.425 1.00 0.00 O ATOM 447 CB THR A 30 5.665 -16.474 2.266 1.00 0.00 C ATOM 448 OG1 THR A 30 6.784 -15.657 2.597 1.00 0.00 O ATOM 449 CG2 THR A 30 4.742 -16.352 3.480 1.00 0.00 C ATOM 0 H THR A 30 4.385 -18.775 2.400 1.00 0.00 H new ATOM 0 HA THR A 30 7.022 -17.844 1.343 1.00 0.00 H new ATOM 0 HB THR A 30 5.112 -16.218 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.490 -14.729 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.348 -15.337 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.916 -17.057 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.303 -16.575 4.387 1.00 0.00 H new ATOM 457 N THR A 31 8.273 -18.577 3.240 1.00 0.00 N ATOM 458 CA THR A 31 9.080 -19.046 4.354 1.00 0.00 C ATOM 459 C THR A 31 10.021 -17.939 4.834 1.00 0.00 C ATOM 460 O THR A 31 10.853 -18.163 5.712 1.00 0.00 O ATOM 461 CB THR A 31 9.811 -20.314 3.909 1.00 0.00 C ATOM 462 OG1 THR A 31 10.013 -21.041 5.118 1.00 0.00 O ATOM 463 CG2 THR A 31 11.227 -20.027 3.405 1.00 0.00 C ATOM 0 H THR A 31 8.788 -18.430 2.372 1.00 0.00 H new ATOM 0 HA THR A 31 8.459 -19.297 5.214 1.00 0.00 H new ATOM 0 HB THR A 31 9.239 -20.806 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.378 -20.442 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.701 -20.960 3.102 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.179 -19.350 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.810 -19.566 4.202 1.00 0.00 H new ATOM 471 N ASP A 32 9.859 -16.768 4.235 1.00 0.00 N ATOM 472 CA ASP A 32 10.684 -15.625 4.590 1.00 0.00 C ATOM 473 C ASP A 32 9.905 -14.336 4.322 1.00 0.00 C ATOM 474 O ASP A 32 9.378 -14.142 3.227 1.00 0.00 O ATOM 475 CB ASP A 32 11.963 -15.588 3.752 1.00 0.00 C ATOM 476 CG ASP A 32 13.246 -15.927 4.514 1.00 0.00 C ATOM 477 OD1 ASP A 32 13.192 -15.886 5.762 1.00 0.00 O ATOM 478 OD2 ASP A 32 14.251 -16.219 3.831 1.00 0.00 O ATOM 0 H ASP A 32 9.169 -16.586 3.506 1.00 0.00 H new ATOM 0 HA ASP A 32 10.946 -15.713 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.856 -16.287 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.067 -14.593 3.320 1.00 0.00 H new ATOM 483 N ALA A 33 9.856 -13.489 5.339 1.00 0.00 N ATOM 484 CA ALA A 33 9.150 -12.224 5.226 1.00 0.00 C ATOM 485 C ALA A 33 9.680 -11.253 6.284 1.00 0.00 C ATOM 486 O ALA A 33 10.139 -11.675 7.344 1.00 0.00 O ATOM 487 CB ALA A 33 7.645 -12.465 5.358 1.00 0.00 C ATOM 0 H ALA A 33 10.294 -13.654 6.245 1.00 0.00 H new ATOM 0 HA ALA A 33 9.323 -11.774 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.116 -11.516 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.313 -13.137 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.432 -12.914 6.328 1.00 0.00 H new ATOM 493 N GLU A 34 9.597 -9.971 5.959 1.00 0.00 N ATOM 494 CA GLU A 34 10.062 -8.938 6.868 1.00 0.00 C ATOM 495 C GLU A 34 11.586 -8.992 6.998 1.00 0.00 C ATOM 496 O GLU A 34 12.286 -8.109 6.504 1.00 0.00 O ATOM 497 CB GLU A 34 9.390 -9.068 8.236 1.00 0.00 C ATOM 498 CG GLU A 34 7.869 -9.148 8.095 1.00 0.00 C ATOM 499 CD GLU A 34 7.172 -8.622 9.351 1.00 0.00 C ATOM 500 OE1 GLU A 34 7.328 -7.411 9.621 1.00 0.00 O ATOM 501 OE2 GLU A 34 6.501 -9.442 10.014 1.00 0.00 O ATOM 0 H GLU A 34 9.215 -9.625 5.079 1.00 0.00 H new ATOM 0 HA GLU A 34 9.786 -7.967 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.759 -9.960 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.657 -8.214 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.550 -8.569 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.571 -10.181 7.915 1.00 0.00 H new ATOM 508 N ARG A 35 12.054 -10.036 7.666 1.00 0.00 N ATOM 509 CA ARG A 35 13.482 -10.216 7.868 1.00 0.00 C ATOM 510 C ARG A 35 14.220 -10.140 6.530 1.00 0.00 C ATOM 511 O ARG A 35 14.192 -11.088 5.747 1.00 0.00 O ATOM 512 CB ARG A 35 13.779 -11.563 8.531 1.00 0.00 C ATOM 513 CG ARG A 35 14.669 -11.383 9.762 1.00 0.00 C ATOM 514 CD ARG A 35 14.018 -11.996 11.003 1.00 0.00 C ATOM 515 NE ARG A 35 14.984 -12.017 12.124 1.00 0.00 N ATOM 516 CZ ARG A 35 14.753 -12.608 13.304 1.00 0.00 C ATOM 517 NH1 ARG A 35 13.587 -13.231 13.525 1.00 0.00 N ATOM 518 NH2 ARG A 35 15.688 -12.577 14.264 1.00 0.00 N ATOM 0 H ARG A 35 11.470 -10.766 8.074 1.00 0.00 H new ATOM 0 HA ARG A 35 13.828 -9.417 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 35 12.845 -12.044 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.270 -12.224 7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.638 -11.851 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 35 14.853 -10.322 9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.136 -11.420 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.681 -13.009 10.784 1.00 0.00 H new ATOM 0 HE ARG A 35 15.882 -11.552 11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.875 -13.255 12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.411 -13.681 14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.576 -12.103 14.096 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.512 -13.027 15.162 1.00 0.00 H new ATOM 532 N GLN A 36 14.864 -9.003 6.310 1.00 0.00 N ATOM 533 CA GLN A 36 15.609 -8.791 5.080 1.00 0.00 C ATOM 534 C GLN A 36 14.666 -8.826 3.876 1.00 0.00 C ATOM 535 O GLN A 36 13.685 -9.567 3.872 1.00 0.00 O ATOM 536 CB GLN A 36 16.727 -9.825 4.931 1.00 0.00 C ATOM 537 CG GLN A 36 17.947 -9.217 4.237 1.00 0.00 C ATOM 538 CD GLN A 36 18.590 -10.222 3.278 1.00 0.00 C ATOM 539 OE1 GLN A 36 18.131 -10.442 2.169 1.00 0.00 O ATOM 540 NE2 GLN A 36 19.674 -10.818 3.766 1.00 0.00 N ATOM 0 H GLN A 36 14.885 -8.219 6.962 1.00 0.00 H new ATOM 0 HA GLN A 36 16.074 -7.806 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.013 -10.201 5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.365 -10.677 4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.650 -8.324 3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.676 -8.904 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.005 -10.587 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.175 -11.506 3.203 1.00 0.00 H new ATOM 549 N ALA A 37 14.997 -8.014 2.882 1.00 0.00 N ATOM 550 CA ALA A 37 14.192 -7.943 1.675 1.00 0.00 C ATOM 551 C ALA A 37 12.710 -7.950 2.054 1.00 0.00 C ATOM 552 O ALA A 37 12.062 -8.995 2.019 1.00 0.00 O ATOM 553 CB ALA A 37 14.563 -9.100 0.745 1.00 0.00 C ATOM 0 H ALA A 37 15.812 -7.400 2.888 1.00 0.00 H new ATOM 0 HA ALA A 37 14.389 -7.016 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.959 -9.047 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.619 -9.031 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.376 -10.047 1.251 1.00 0.00 H new ATOM 559 N VAL A 38 12.216 -6.773 2.407 1.00 0.00 N ATOM 560 CA VAL A 38 10.823 -6.631 2.793 1.00 0.00 C ATOM 561 C VAL A 38 9.956 -6.547 1.535 1.00 0.00 C ATOM 562 O VAL A 38 10.450 -6.219 0.457 1.00 0.00 O ATOM 563 CB VAL A 38 10.655 -5.422 3.715 1.00 0.00 C ATOM 564 CG1 VAL A 38 11.568 -5.535 4.938 1.00 0.00 C ATOM 565 CG2 VAL A 38 10.910 -4.116 2.960 1.00 0.00 C ATOM 0 H VAL A 38 12.756 -5.908 2.434 1.00 0.00 H new ATOM 0 HA VAL A 38 10.493 -7.503 3.359 1.00 0.00 H new ATOM 0 HB VAL A 38 9.623 -5.410 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.429 -4.663 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.319 -6.438 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.607 -5.585 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.784 -3.273 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.926 -4.116 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.202 -4.028 2.136 1.00 0.00 H new ATOM 575 N THR A 39 8.679 -6.849 1.713 1.00 0.00 N ATOM 576 CA THR A 39 7.739 -6.812 0.606 1.00 0.00 C ATOM 577 C THR A 39 6.498 -6.002 0.986 1.00 0.00 C ATOM 578 O THR A 39 6.164 -5.887 2.165 1.00 0.00 O ATOM 579 CB THR A 39 7.423 -8.254 0.205 1.00 0.00 C ATOM 580 OG1 THR A 39 7.038 -8.878 1.427 1.00 0.00 O ATOM 581 CG2 THR A 39 8.670 -9.027 -0.231 1.00 0.00 C ATOM 0 H THR A 39 8.273 -7.121 2.608 1.00 0.00 H new ATOM 0 HA THR A 39 8.167 -6.305 -0.259 1.00 0.00 H new ATOM 0 HB THR A 39 6.694 -8.254 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.814 -9.817 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.390 -10.044 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.123 -8.532 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.386 -9.056 0.591 1.00 0.00 H new ATOM 589 N PRO A 40 5.831 -5.446 -0.061 1.00 0.00 N ATOM 590 CA PRO A 40 6.294 -5.631 -1.426 1.00 0.00 C ATOM 591 C PRO A 40 7.526 -4.769 -1.708 1.00 0.00 C ATOM 592 O PRO A 40 7.648 -3.663 -1.183 1.00 0.00 O ATOM 593 CB PRO A 40 5.103 -5.268 -2.297 1.00 0.00 C ATOM 594 CG PRO A 40 4.172 -4.453 -1.414 1.00 0.00 C ATOM 595 CD PRO A 40 4.623 -4.631 0.027 1.00 0.00 C ATOM 0 HA PRO A 40 6.620 -6.652 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.417 -4.693 -3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.604 -6.163 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.202 -3.401 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.141 -4.786 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.827 -3.670 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.856 -5.123 0.624 1.00 0.00 H new ATOM 603 N PRO A 41 8.431 -5.321 -2.560 1.00 0.00 N ATOM 604 CA PRO A 41 9.649 -4.615 -2.918 1.00 0.00 C ATOM 605 C PRO A 41 9.357 -3.485 -3.908 1.00 0.00 C ATOM 606 O PRO A 41 8.721 -3.706 -4.938 1.00 0.00 O ATOM 607 CB PRO A 41 10.568 -5.682 -3.490 1.00 0.00 C ATOM 608 CG PRO A 41 9.670 -6.851 -3.860 1.00 0.00 C ATOM 609 CD PRO A 41 8.319 -6.628 -3.201 1.00 0.00 C ATOM 0 HA PRO A 41 10.115 -4.121 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.103 -5.309 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.319 -5.983 -2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.560 -6.920 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.108 -7.791 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.513 -6.641 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.100 -7.409 -2.473 1.00 0.00 H new ATOM 617 N GLY A 42 9.834 -2.299 -3.560 1.00 0.00 N ATOM 618 CA GLY A 42 9.632 -1.134 -4.404 1.00 0.00 C ATOM 619 C GLY A 42 8.560 -0.212 -3.819 1.00 0.00 C ATOM 620 O GLY A 42 8.743 1.004 -3.768 1.00 0.00 O ATOM 0 H GLY A 42 10.360 -2.120 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.570 -0.588 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.337 -1.452 -5.404 1.00 0.00 H new ATOM 624 N LEU A 43 7.466 -0.825 -3.391 1.00 0.00 N ATOM 625 CA LEU A 43 6.366 -0.075 -2.811 1.00 0.00 C ATOM 626 C LEU A 43 6.925 1.037 -1.921 1.00 0.00 C ATOM 627 O LEU A 43 6.658 2.215 -2.152 1.00 0.00 O ATOM 628 CB LEU A 43 5.399 -1.014 -2.088 1.00 0.00 C ATOM 629 CG LEU A 43 4.055 -0.408 -1.678 1.00 0.00 C ATOM 630 CD1 LEU A 43 3.262 0.047 -2.904 1.00 0.00 C ATOM 631 CD2 LEU A 43 3.258 -1.381 -0.808 1.00 0.00 C ATOM 0 H LEU A 43 7.318 -1.833 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 43 5.780 0.407 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.207 -1.872 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.893 -1.392 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 43 4.250 0.478 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.311 0.474 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.833 0.799 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.076 -0.808 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.307 -0.926 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.072 -2.299 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.826 -1.613 0.093 1.00 0.00 H new ATOM 643 N GLN A 44 7.691 0.622 -0.923 1.00 0.00 N ATOM 644 CA GLN A 44 8.290 1.568 0.003 1.00 0.00 C ATOM 645 C GLN A 44 9.043 2.657 -0.764 1.00 0.00 C ATOM 646 O GLN A 44 8.818 3.846 -0.542 1.00 0.00 O ATOM 647 CB GLN A 44 9.215 0.856 0.993 1.00 0.00 C ATOM 648 CG GLN A 44 9.417 1.696 2.256 1.00 0.00 C ATOM 649 CD GLN A 44 10.904 1.947 2.514 1.00 0.00 C ATOM 650 OE1 GLN A 44 11.776 1.399 1.860 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.144 2.804 3.503 1.00 0.00 N ATOM 0 H GLN A 44 7.911 -0.356 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 44 7.492 2.040 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.792 -0.112 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.179 0.664 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.896 2.648 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.977 1.184 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.367 3.228 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.105 3.038 3.754 1.00 0.00 H new ATOM 660 N GLU A 45 9.923 2.212 -1.649 1.00 0.00 N ATOM 661 CA GLU A 45 10.710 3.134 -2.450 1.00 0.00 C ATOM 662 C GLU A 45 9.792 4.076 -3.232 1.00 0.00 C ATOM 663 O GLU A 45 9.850 5.292 -3.057 1.00 0.00 O ATOM 664 CB GLU A 45 11.649 2.378 -3.392 1.00 0.00 C ATOM 665 CG GLU A 45 12.943 1.984 -2.676 1.00 0.00 C ATOM 666 CD GLU A 45 13.813 3.212 -2.401 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.587 3.575 -3.312 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.685 3.759 -1.284 1.00 0.00 O ATOM 0 H GLU A 45 10.108 1.225 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 45 11.326 3.733 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.151 1.485 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.882 3.001 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.706 1.484 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.497 1.270 -3.285 1.00 0.00 H new ATOM 675 N ALA A 46 8.965 3.479 -4.077 1.00 0.00 N ATOM 676 CA ALA A 46 8.036 4.249 -4.886 1.00 0.00 C ATOM 677 C ALA A 46 7.440 5.375 -4.037 1.00 0.00 C ATOM 678 O ALA A 46 7.734 6.548 -4.261 1.00 0.00 O ATOM 679 CB ALA A 46 6.963 3.319 -5.457 1.00 0.00 C ATOM 0 H ALA A 46 8.919 2.470 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 46 8.551 4.709 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.266 3.897 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.435 2.555 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.423 2.842 -4.639 1.00 0.00 H new ATOM 685 N ILE A 47 6.613 4.978 -3.081 1.00 0.00 N ATOM 686 CA ILE A 47 5.974 5.939 -2.199 1.00 0.00 C ATOM 687 C ILE A 47 7.043 6.823 -1.554 1.00 0.00 C ATOM 688 O ILE A 47 6.963 8.049 -1.621 1.00 0.00 O ATOM 689 CB ILE A 47 5.077 5.222 -1.187 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.953 4.461 -1.893 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.537 6.202 -0.143 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.738 3.086 -1.256 1.00 0.00 C ATOM 0 H ILE A 47 6.371 4.004 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 47 5.315 6.597 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 47 5.681 4.486 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.030 5.038 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.196 4.343 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.903 5.667 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.370 6.660 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.954 6.977 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.934 2.566 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.656 2.503 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.471 3.209 -0.206 1.00 0.00 H new ATOM 704 N ASN A 48 8.019 6.167 -0.945 1.00 0.00 N ATOM 705 CA ASN A 48 9.103 6.879 -0.289 1.00 0.00 C ATOM 706 C ASN A 48 9.570 8.027 -1.185 1.00 0.00 C ATOM 707 O ASN A 48 9.982 9.076 -0.692 1.00 0.00 O ATOM 708 CB ASN A 48 10.298 5.956 -0.042 1.00 0.00 C ATOM 709 CG ASN A 48 11.573 6.764 0.206 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.569 7.792 0.863 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.662 6.244 -0.354 1.00 0.00 N ATOM 0 H ASN A 48 8.082 5.150 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 48 8.732 7.252 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.096 5.316 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.440 5.301 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.563 6.710 -0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.596 5.380 -0.892 1.00 0.00 H new ATOM 718 N ASP A 49 9.489 7.790 -2.486 1.00 0.00 N ATOM 719 CA ASP A 49 9.898 8.792 -3.456 1.00 0.00 C ATOM 720 C ASP A 49 8.850 9.906 -3.505 1.00 0.00 C ATOM 721 O ASP A 49 9.192 11.087 -3.467 1.00 0.00 O ATOM 722 CB ASP A 49 10.012 8.188 -4.857 1.00 0.00 C ATOM 723 CG ASP A 49 10.922 8.954 -5.820 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.716 9.778 -5.316 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.803 8.698 -7.037 1.00 0.00 O ATOM 0 H ASP A 49 9.146 6.919 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 49 10.870 9.180 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.382 7.167 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.015 8.129 -5.293 1.00 0.00 H new ATOM 730 N LEU A 50 7.595 9.490 -3.589 1.00 0.00 N ATOM 731 CA LEU A 50 6.495 10.438 -3.644 1.00 0.00 C ATOM 732 C LEU A 50 6.426 11.209 -2.324 1.00 0.00 C ATOM 733 O LEU A 50 6.369 12.438 -2.322 1.00 0.00 O ATOM 734 CB LEU A 50 5.191 9.725 -4.008 1.00 0.00 C ATOM 735 CG LEU A 50 4.793 9.768 -5.485 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.148 8.450 -5.917 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.892 10.970 -5.775 1.00 0.00 C ATOM 0 H LEU A 50 7.315 8.510 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 50 6.662 11.170 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.274 8.681 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.384 10.164 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 50 5.698 9.893 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.874 8.507 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.855 7.633 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.254 8.269 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.624 10.977 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.987 10.901 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.422 11.890 -5.529 1.00 0.00 H new ATOM 749 N VAL A 51 6.433 10.456 -1.234 1.00 0.00 N ATOM 750 CA VAL A 51 6.373 11.054 0.089 1.00 0.00 C ATOM 751 C VAL A 51 7.478 12.103 0.221 1.00 0.00 C ATOM 752 O VAL A 51 7.357 13.042 1.006 1.00 0.00 O ATOM 753 CB VAL A 51 6.452 9.964 1.160 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.562 10.576 2.558 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.253 9.017 1.068 1.00 0.00 C ATOM 0 H VAL A 51 6.479 9.437 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 51 5.421 11.565 0.234 1.00 0.00 H new ATOM 0 HB VAL A 51 7.354 9.380 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.617 9.780 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.461 11.189 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.687 11.195 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.334 8.252 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.332 9.582 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.239 8.542 0.087 1.00 0.00 H new ATOM 765 N LYS A 52 8.531 11.908 -0.559 1.00 0.00 N ATOM 766 CA LYS A 52 9.658 12.826 -0.539 1.00 0.00 C ATOM 767 C LYS A 52 9.388 13.979 -1.507 1.00 0.00 C ATOM 768 O LYS A 52 9.712 15.129 -1.214 1.00 0.00 O ATOM 769 CB LYS A 52 10.963 12.079 -0.821 1.00 0.00 C ATOM 770 CG LYS A 52 11.603 11.584 0.477 1.00 0.00 C ATOM 771 CD LYS A 52 12.987 12.204 0.678 1.00 0.00 C ATOM 772 CE LYS A 52 12.912 13.427 1.594 1.00 0.00 C ATOM 773 NZ LYS A 52 14.269 13.941 1.885 1.00 0.00 N ATOM 0 H LYS A 52 8.628 11.128 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 52 9.776 13.263 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.767 11.233 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.657 12.737 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.962 11.836 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.687 10.498 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.662 11.464 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.404 12.493 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.315 14.207 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.410 13.162 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.200 14.771 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.827 13.200 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.735 14.213 0.996 1.00 0.00 H new ATOM 787 N LYS A 53 8.796 13.632 -2.641 1.00 0.00 N ATOM 788 CA LYS A 53 8.479 14.624 -3.654 1.00 0.00 C ATOM 789 C LYS A 53 7.413 15.578 -3.111 1.00 0.00 C ATOM 790 O LYS A 53 7.311 16.720 -3.557 1.00 0.00 O ATOM 791 CB LYS A 53 8.083 13.943 -4.965 1.00 0.00 C ATOM 792 CG LYS A 53 9.322 13.529 -5.763 1.00 0.00 C ATOM 793 CD LYS A 53 9.239 14.033 -7.205 1.00 0.00 C ATOM 794 CE LYS A 53 7.915 13.624 -7.853 1.00 0.00 C ATOM 795 NZ LYS A 53 8.145 12.612 -8.909 1.00 0.00 N ATOM 0 H LYS A 53 8.528 12.677 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 53 9.358 15.225 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.472 13.065 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.472 14.621 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.217 13.928 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.416 12.443 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.336 15.119 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.071 13.630 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.242 13.222 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.427 14.500 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.236 12.346 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.770 13.008 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.591 11.770 -8.492 1.00 0.00 H new ATOM 809 N TYR A 54 6.645 15.075 -2.155 1.00 0.00 N ATOM 810 CA TYR A 54 5.591 15.868 -1.546 1.00 0.00 C ATOM 811 C TYR A 54 6.098 16.586 -0.294 1.00 0.00 C ATOM 812 O TYR A 54 7.199 16.310 0.181 1.00 0.00 O ATOM 813 CB TYR A 54 4.497 14.878 -1.144 1.00 0.00 C ATOM 814 CG TYR A 54 3.572 14.472 -2.293 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.102 14.156 -3.527 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.207 14.422 -2.095 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.232 13.774 -4.609 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.336 14.040 -3.177 1.00 0.00 C ATOM 819 CZ TYR A 54 1.891 13.734 -4.380 1.00 0.00 C ATOM 820 OH TYR A 54 1.069 13.374 -5.401 1.00 0.00 O ATOM 0 H TYR A 54 6.732 14.128 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 54 5.233 16.628 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.964 13.983 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.898 15.318 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.170 14.195 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.792 14.669 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.634 13.525 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.266 13.998 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 54 0.272 12.934 -5.039 1.00 0.00 H new ATOM 830 N THR A 55 5.271 17.493 0.205 1.00 0.00 N ATOM 831 CA THR A 55 5.623 18.252 1.394 1.00 0.00 C ATOM 832 C THR A 55 5.009 17.608 2.639 1.00 0.00 C ATOM 833 O THR A 55 3.791 17.466 2.732 1.00 0.00 O ATOM 834 CB THR A 55 5.179 19.700 1.177 1.00 0.00 C ATOM 835 OG1 THR A 55 6.228 20.273 0.401 1.00 0.00 O ATOM 836 CG2 THR A 55 5.187 20.515 2.473 1.00 0.00 C ATOM 0 H THR A 55 4.359 17.720 -0.192 1.00 0.00 H new ATOM 0 HA THR A 55 6.700 18.248 1.563 1.00 0.00 H new ATOM 0 HB THR A 55 4.178 19.712 0.746 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.020 21.212 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.864 21.535 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.507 20.060 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.196 20.531 2.886 1.00 0.00 H new ATOM 844 N LEU A 56 5.881 17.236 3.564 1.00 0.00 N ATOM 845 CA LEU A 56 5.441 16.610 4.799 1.00 0.00 C ATOM 846 C LEU A 56 4.342 15.592 4.486 1.00 0.00 C ATOM 847 O LEU A 56 3.267 15.632 5.082 1.00 0.00 O ATOM 848 CB LEU A 56 5.023 17.672 5.818 1.00 0.00 C ATOM 849 CG LEU A 56 6.147 18.550 6.372 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.434 17.743 6.551 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.363 19.784 5.494 1.00 0.00 C ATOM 0 H LEU A 56 6.891 17.356 3.483 1.00 0.00 H new ATOM 0 HA LEU A 56 6.262 16.062 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.279 18.319 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.534 17.172 6.654 1.00 0.00 H new ATOM 0 HG LEU A 56 5.848 18.905 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.217 18.390 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.256 16.923 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.748 17.340 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.167 20.391 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.630 19.470 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.446 20.372 5.460 1.00 0.00 H new ATOM 863 N ALA A 57 4.651 14.704 3.553 1.00 0.00 N ATOM 864 CA ALA A 57 3.704 13.677 3.154 1.00 0.00 C ATOM 865 C ALA A 57 3.980 12.398 3.948 1.00 0.00 C ATOM 866 O ALA A 57 5.035 12.262 4.565 1.00 0.00 O ATOM 867 CB ALA A 57 3.795 13.456 1.643 1.00 0.00 C ATOM 0 H ALA A 57 5.544 14.674 3.062 1.00 0.00 H new ATOM 0 HA ALA A 57 2.684 13.990 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.084 12.685 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.561 14.386 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.805 13.139 1.382 1.00 0.00 H new ATOM 873 N ARG A 58 3.013 11.493 3.906 1.00 0.00 N ATOM 874 CA ARG A 58 3.139 10.231 4.614 1.00 0.00 C ATOM 875 C ARG A 58 2.066 9.248 4.140 1.00 0.00 C ATOM 876 O ARG A 58 0.876 9.556 4.178 1.00 0.00 O ATOM 877 CB ARG A 58 3.006 10.430 6.125 1.00 0.00 C ATOM 878 CG ARG A 58 4.329 10.135 6.835 1.00 0.00 C ATOM 879 CD ARG A 58 4.299 10.638 8.280 1.00 0.00 C ATOM 880 NE ARG A 58 5.665 10.621 8.850 1.00 0.00 N ATOM 881 CZ ARG A 58 5.969 11.045 10.084 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.007 11.522 10.885 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.236 10.993 10.517 1.00 0.00 N ATOM 0 H ARG A 58 2.139 11.609 3.393 1.00 0.00 H new ATOM 0 HA ARG A 58 4.128 9.828 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.697 11.454 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.226 9.776 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.521 9.062 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.149 10.611 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.895 11.650 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.638 10.011 8.879 1.00 0.00 H new ATOM 0 HE ARG A 58 6.422 10.264 8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.043 11.562 10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.239 11.845 11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.969 10.631 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.468 11.316 11.456 1.00 0.00 H new ATOM 897 N ALA A 59 2.527 8.084 3.704 1.00 0.00 N ATOM 898 CA ALA A 59 1.622 7.054 3.223 1.00 0.00 C ATOM 899 C ALA A 59 1.928 5.737 3.939 1.00 0.00 C ATOM 900 O ALA A 59 3.050 5.521 4.395 1.00 0.00 O ATOM 901 CB ALA A 59 1.746 6.934 1.703 1.00 0.00 C ATOM 0 H ALA A 59 3.515 7.832 3.674 1.00 0.00 H new ATOM 0 HA ALA A 59 0.588 7.318 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.067 6.161 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.489 7.887 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.770 6.668 1.441 1.00 0.00 H new ATOM 907 N PHE A 60 0.911 4.892 4.016 1.00 0.00 N ATOM 908 CA PHE A 60 1.057 3.602 4.669 1.00 0.00 C ATOM 909 C PHE A 60 0.028 2.600 4.141 1.00 0.00 C ATOM 910 O PHE A 60 -0.723 2.906 3.217 1.00 0.00 O ATOM 911 CB PHE A 60 0.814 3.827 6.163 1.00 0.00 C ATOM 912 CG PHE A 60 1.876 4.693 6.843 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.195 4.402 6.684 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.501 5.754 7.607 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.180 5.205 7.315 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.486 6.557 8.238 1.00 0.00 C ATOM 917 CZ PHE A 60 3.805 6.266 8.079 1.00 0.00 C ATOM 0 H PHE A 60 -0.018 5.075 3.637 1.00 0.00 H new ATOM 0 HA PHE A 60 2.050 3.197 4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.161 4.295 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.774 2.860 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.493 3.560 6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.454 5.985 7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.227 4.974 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.188 7.399 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.555 6.877 8.559 1.00 0.00 H new ATOM 927 N VAL A 61 0.027 1.424 4.752 1.00 0.00 N ATOM 928 CA VAL A 61 -0.897 0.376 4.355 1.00 0.00 C ATOM 929 C VAL A 61 -1.188 -0.524 5.558 1.00 0.00 C ATOM 930 O VAL A 61 -0.266 -0.986 6.229 1.00 0.00 O ATOM 931 CB VAL A 61 -0.335 -0.392 3.157 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.720 0.287 1.841 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.183 -0.548 3.269 1.00 0.00 C ATOM 0 H VAL A 61 0.651 1.174 5.519 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.845 0.806 4.033 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.776 -1.389 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.308 -0.279 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.806 0.323 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.321 1.301 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.557 -1.097 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.649 0.437 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.426 -1.095 4.180 1.00 0.00 H new ATOM 943 N ARG A 62 -2.472 -0.745 5.795 1.00 0.00 N ATOM 944 CA ARG A 62 -2.896 -1.581 6.905 1.00 0.00 C ATOM 945 C ARG A 62 -3.962 -2.577 6.443 1.00 0.00 C ATOM 946 O ARG A 62 -5.041 -2.179 6.007 1.00 0.00 O ATOM 947 CB ARG A 62 -3.460 -0.734 8.048 1.00 0.00 C ATOM 948 CG ARG A 62 -2.370 -0.394 9.067 1.00 0.00 C ATOM 949 CD ARG A 62 -2.447 -1.320 10.282 1.00 0.00 C ATOM 950 NE ARG A 62 -1.178 -1.266 11.041 1.00 0.00 N ATOM 951 CZ ARG A 62 -0.926 -1.994 12.137 1.00 0.00 C ATOM 952 NH1 ARG A 62 -1.855 -2.836 12.610 1.00 0.00 N ATOM 953 NH2 ARG A 62 0.254 -1.879 12.761 1.00 0.00 N ATOM 0 H ARG A 62 -3.234 -0.359 5.237 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.021 -2.122 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.888 0.185 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.268 -1.274 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.389 -0.483 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.477 0.642 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.277 -1.023 10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.644 -2.342 9.959 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.449 -0.635 10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.754 -2.923 12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.663 -3.390 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.961 -1.237 12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.446 -2.433 13.595 1.00 0.00 H new ATOM 967 N PRO A 63 -3.614 -3.886 6.559 1.00 0.00 N ATOM 968 CA PRO A 63 -4.528 -4.942 6.158 1.00 0.00 C ATOM 969 C PRO A 63 -5.650 -5.114 7.185 1.00 0.00 C ATOM 970 O PRO A 63 -5.800 -4.294 8.088 1.00 0.00 O ATOM 971 CB PRO A 63 -3.660 -6.181 6.014 1.00 0.00 C ATOM 972 CG PRO A 63 -2.383 -5.887 6.784 1.00 0.00 C ATOM 973 CD PRO A 63 -2.345 -4.395 7.072 1.00 0.00 C ATOM 0 HA PRO A 63 -5.041 -4.721 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.164 -7.060 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.445 -6.388 4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.358 -6.456 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.510 -6.186 6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.243 -4.200 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.498 -3.918 6.578 1.00 0.00 H new ATOM 981 N SER A 64 -6.408 -6.186 7.010 1.00 0.00 N ATOM 982 CA SER A 64 -7.512 -6.477 7.910 1.00 0.00 C ATOM 983 C SER A 64 -6.982 -6.735 9.322 1.00 0.00 C ATOM 984 O SER A 64 -6.122 -7.592 9.519 1.00 0.00 O ATOM 985 CB SER A 64 -8.321 -7.678 7.419 1.00 0.00 C ATOM 986 OG SER A 64 -9.720 -7.405 7.391 1.00 0.00 O ATOM 0 H SER A 64 -6.280 -6.864 6.259 1.00 0.00 H new ATOM 0 HA SER A 64 -8.174 -5.611 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.986 -7.956 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.131 -8.533 8.068 1.00 0.00 H new ATOM 0 HG SER A 64 -10.218 -8.234 7.547 1.00 0.00 H new ATOM 992 N GLY A 65 -7.518 -5.978 10.268 1.00 0.00 N ATOM 993 CA GLY A 65 -7.110 -6.114 11.656 1.00 0.00 C ATOM 994 C GLY A 65 -8.084 -5.391 12.588 1.00 0.00 C ATOM 995 O GLY A 65 -7.679 -4.842 13.611 1.00 0.00 O ATOM 0 H GLY A 65 -8.231 -5.268 10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.062 -7.170 11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.107 -5.707 11.785 1.00 0.00 H new ATOM 999 N THR A 66 -9.351 -5.414 12.200 1.00 0.00 N ATOM 1000 CA THR A 66 -10.387 -4.767 12.988 1.00 0.00 C ATOM 1001 C THR A 66 -11.772 -5.211 12.514 1.00 0.00 C ATOM 1002 O THR A 66 -12.650 -5.492 13.328 1.00 0.00 O ATOM 1003 CB THR A 66 -10.170 -3.255 12.903 1.00 0.00 C ATOM 1004 OG1 THR A 66 -11.397 -2.702 13.371 1.00 0.00 O ATOM 1005 CG2 THR A 66 -10.065 -2.759 11.459 1.00 0.00 C ATOM 0 H THR A 66 -9.684 -5.870 11.351 1.00 0.00 H new ATOM 0 HA THR A 66 -10.328 -5.059 14.036 1.00 0.00 H new ATOM 0 HB THR A 66 -9.264 -2.987 13.446 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.344 -1.724 13.351 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.912 -1.680 11.455 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.224 -3.247 10.967 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.985 -2.996 10.925 1.00 0.00 H new ATOM 1013 N GLU A 67 -11.925 -5.259 11.199 1.00 0.00 N ATOM 1014 CA GLU A 67 -13.189 -5.664 10.607 1.00 0.00 C ATOM 1015 C GLU A 67 -12.943 -6.468 9.329 1.00 0.00 C ATOM 1016 O GLU A 67 -12.757 -7.683 9.382 1.00 0.00 O ATOM 1017 CB GLU A 67 -14.077 -4.450 10.328 1.00 0.00 C ATOM 1018 CG GLU A 67 -14.969 -4.135 11.531 1.00 0.00 C ATOM 1019 CD GLU A 67 -16.417 -4.550 11.264 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -16.625 -5.759 11.023 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -17.283 -3.650 11.308 1.00 0.00 O ATOM 0 H GLU A 67 -11.195 -5.024 10.527 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.714 -6.301 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.455 -3.586 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.696 -4.642 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.594 -4.656 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.927 -3.068 11.750 1.00 0.00 H new ATOM 1028 N ASP A 68 -12.951 -5.758 8.210 1.00 0.00 N ATOM 1029 CA ASP A 68 -12.732 -6.391 6.921 1.00 0.00 C ATOM 1030 C ASP A 68 -12.276 -5.336 5.911 1.00 0.00 C ATOM 1031 O ASP A 68 -12.380 -4.138 6.169 1.00 0.00 O ATOM 1032 CB ASP A 68 -14.020 -7.026 6.392 1.00 0.00 C ATOM 1033 CG ASP A 68 -13.859 -8.437 5.823 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -12.924 -9.130 6.279 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -14.674 -8.791 4.944 1.00 0.00 O ATOM 0 H ASP A 68 -13.106 -4.751 8.170 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.975 -7.165 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.750 -7.058 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.432 -6.382 5.615 1.00 0.00 H new ATOM 1040 N ILE A 69 -11.780 -5.820 4.781 1.00 0.00 N ATOM 1041 CA ILE A 69 -11.308 -4.934 3.731 1.00 0.00 C ATOM 1042 C ILE A 69 -10.004 -4.269 4.179 1.00 0.00 C ATOM 1043 O ILE A 69 -9.793 -4.049 5.371 1.00 0.00 O ATOM 1044 CB ILE A 69 -12.401 -3.939 3.337 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -13.718 -4.660 3.044 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -11.952 -3.066 2.164 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -14.895 -3.683 3.064 1.00 0.00 C ATOM 0 H ILE A 69 -11.695 -6.814 4.570 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.084 -5.501 2.827 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.579 -3.274 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.661 -5.147 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.879 -5.444 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.748 -2.368 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.058 -2.509 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.729 -3.698 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -15.819 -4.222 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.964 -3.216 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.742 -2.914 2.307 1.00 0.00 H new ATOM 1059 N VAL A 70 -9.164 -3.967 3.200 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.887 -3.332 3.478 1.00 0.00 C ATOM 1061 C VAL A 70 -8.062 -1.813 3.450 1.00 0.00 C ATOM 1062 O VAL A 70 -8.663 -1.270 2.524 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.829 -3.831 2.491 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.609 -2.908 2.484 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -6.424 -5.273 2.804 1.00 0.00 C ATOM 0 H VAL A 70 -9.343 -4.150 2.213 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.535 -3.600 4.474 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.267 -3.816 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.872 -3.285 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.914 -1.903 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.170 -2.877 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.671 -5.603 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.013 -5.325 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.299 -5.920 2.735 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.525 -1.169 4.476 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.614 0.278 4.581 1.00 0.00 C ATOM 1077 C ARG A 71 -6.251 0.915 4.303 1.00 0.00 C ATOM 1078 O ARG A 71 -5.218 0.371 4.690 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.093 0.701 5.972 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.147 0.186 7.058 1.00 0.00 C ATOM 1081 CD ARG A 71 -7.554 0.713 8.435 1.00 0.00 C ATOM 1082 NE ARG A 71 -6.683 0.128 9.479 1.00 0.00 N ATOM 1083 CZ ARG A 71 -7.012 0.050 10.775 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.195 0.519 11.196 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -6.158 -0.496 11.652 1.00 0.00 N ATOM 0 H ARG A 71 -7.027 -1.622 5.242 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.337 0.620 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.155 1.788 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.098 0.316 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.155 -0.904 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.126 0.496 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.479 1.800 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.595 0.462 8.636 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.775 -0.239 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.845 0.935 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.445 0.459 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.257 -0.852 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.409 -0.555 12.639 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.293 2.058 3.635 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.075 2.775 3.301 1.00 0.00 C ATOM 1101 C VAL A 72 -5.079 4.135 4.002 1.00 0.00 C ATOM 1102 O VAL A 72 -6.126 4.769 4.127 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.933 2.886 1.782 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.911 3.960 1.404 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.563 1.536 1.165 1.00 0.00 C ATOM 0 H VAL A 72 -7.152 2.505 3.316 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.201 2.229 3.657 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.900 3.185 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.829 4.018 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.235 4.924 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.940 3.704 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.468 1.643 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.615 1.194 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.342 0.807 1.390 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.898 4.543 4.441 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.753 5.816 5.127 1.00 0.00 C ATOM 1117 C TYR A 73 -2.727 6.705 4.420 1.00 0.00 C ATOM 1118 O TYR A 73 -1.691 6.223 3.965 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.241 5.484 6.530 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.703 6.464 7.609 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.950 6.319 8.184 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.875 7.493 8.009 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.386 7.242 9.200 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.310 8.415 9.025 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.544 8.244 9.570 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.956 9.115 10.530 1.00 0.00 O ATOM 0 H TYR A 73 -3.032 4.015 4.335 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.702 6.353 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.573 4.481 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.151 5.466 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.598 5.514 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.900 7.607 7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.359 7.141 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.671 9.224 9.347 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.253 9.777 10.694 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.053 7.988 4.350 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.173 8.949 3.706 1.00 0.00 C ATOM 1138 C ALA A 74 -2.394 10.330 4.326 1.00 0.00 C ATOM 1139 O ALA A 74 -3.411 10.568 4.975 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.425 8.940 2.197 1.00 0.00 C ATOM 0 H ALA A 74 -3.914 8.384 4.728 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.129 8.680 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.765 9.661 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.227 7.944 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.463 9.209 2.000 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.423 11.204 4.104 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.498 12.556 4.633 1.00 0.00 C ATOM 1148 C GLU A 75 -0.469 13.454 3.943 1.00 0.00 C ATOM 1149 O GLU A 75 0.422 12.964 3.250 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.302 12.563 6.150 1.00 0.00 C ATOM 1151 CG GLU A 75 0.065 11.990 6.529 1.00 0.00 C ATOM 1152 CD GLU A 75 0.637 12.702 7.757 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.441 13.934 7.840 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.256 11.999 8.583 1.00 0.00 O ATOM 0 H GLU A 75 -0.581 11.003 3.565 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.493 12.951 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.390 13.582 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.090 11.978 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.028 10.923 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.753 12.095 5.690 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.627 14.752 4.156 1.00 0.00 N ATOM 1162 CA ALA A 76 0.278 15.722 3.563 1.00 0.00 C ATOM 1163 C ALA A 76 0.014 17.099 4.176 1.00 0.00 C ATOM 1164 O ALA A 76 -1.072 17.354 4.695 1.00 0.00 O ATOM 1165 CB ALA A 76 0.106 15.718 2.043 1.00 0.00 C ATOM 0 H ALA A 76 -1.368 15.154 4.730 1.00 0.00 H new ATOM 0 HA ALA A 76 1.315 15.460 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.785 16.446 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.332 14.725 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.922 15.980 1.792 1.00 0.00 H new ATOM 1171 N ASN A 77 1.025 17.952 4.094 1.00 0.00 N ATOM 1172 CA ASN A 77 0.916 19.296 4.634 1.00 0.00 C ATOM 1173 C ASN A 77 -0.329 19.974 4.057 1.00 0.00 C ATOM 1174 O ASN A 77 -0.889 20.879 4.672 1.00 0.00 O ATOM 1175 CB ASN A 77 2.133 20.142 4.256 1.00 0.00 C ATOM 1176 CG ASN A 77 1.883 21.623 4.547 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.102 22.289 3.887 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.588 22.101 5.569 1.00 0.00 N ATOM 0 H ASN A 77 1.924 17.738 3.661 1.00 0.00 H new ATOM 0 HA ASN A 77 0.854 19.219 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.005 19.800 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.359 20.009 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.492 23.079 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.225 21.489 6.080 1.00 0.00 H new ATOM 1185 N SER A 78 -0.725 19.508 2.881 1.00 0.00 N ATOM 1186 CA SER A 78 -1.892 20.058 2.213 1.00 0.00 C ATOM 1187 C SER A 78 -3.000 19.005 2.145 1.00 0.00 C ATOM 1188 O SER A 78 -2.725 17.806 2.186 1.00 0.00 O ATOM 1189 CB SER A 78 -1.542 20.552 0.808 1.00 0.00 C ATOM 1190 OG SER A 78 -0.251 21.154 0.760 1.00 0.00 O ATOM 0 H SER A 78 -0.258 18.756 2.374 1.00 0.00 H new ATOM 0 HA SER A 78 -2.246 20.912 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.578 19.715 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.291 21.273 0.480 1.00 0.00 H new ATOM 0 HG SER A 78 -0.064 21.455 -0.154 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.228 19.490 2.041 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.379 18.605 1.967 1.00 0.00 C ATOM 1198 C GLN A 79 -5.430 17.915 0.603 1.00 0.00 C ATOM 1199 O GLN A 79 -5.704 16.719 0.518 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.676 19.368 2.244 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.724 18.453 2.880 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.969 19.245 3.286 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.028 20.459 3.176 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.958 18.493 3.759 1.00 0.00 N ATOM 0 H GLN A 79 -4.452 20.485 2.006 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.275 17.840 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.473 20.210 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.065 19.781 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.001 17.668 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.300 17.961 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.843 17.482 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.832 18.927 4.056 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.161 18.698 -0.432 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.173 18.177 -1.788 1.00 0.00 C ATOM 1215 C GLU A 80 -4.319 16.910 -1.877 1.00 0.00 C ATOM 1216 O GLU A 80 -4.830 15.833 -2.180 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.693 19.233 -2.786 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.752 19.496 -3.858 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.428 18.736 -5.146 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -5.210 17.510 -5.042 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.405 19.399 -6.206 1.00 0.00 O ATOM 0 H GLU A 80 -4.933 19.690 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.200 17.919 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.466 20.160 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.768 18.899 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.732 19.192 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.807 20.565 -4.066 1.00 0.00 H new ATOM 1228 N SER A 81 -3.033 17.082 -1.608 1.00 0.00 N ATOM 1229 CA SER A 81 -2.104 15.966 -1.655 1.00 0.00 C ATOM 1230 C SER A 81 -2.583 14.847 -0.728 1.00 0.00 C ATOM 1231 O SER A 81 -2.620 13.682 -1.122 1.00 0.00 O ATOM 1232 CB SER A 81 -0.692 16.408 -1.266 1.00 0.00 C ATOM 1233 OG SER A 81 -0.573 17.827 -1.213 1.00 0.00 O ATOM 0 H SER A 81 -2.613 17.977 -1.357 1.00 0.00 H new ATOM 0 HA SER A 81 -2.070 15.593 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.435 15.986 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.024 16.011 -1.986 1.00 0.00 H new ATOM 0 HG SER A 81 0.342 18.069 -0.960 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.938 15.240 0.487 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.414 14.284 1.473 1.00 0.00 C ATOM 1241 C ALA A 82 -4.332 13.268 0.792 1.00 0.00 C ATOM 1242 O ALA A 82 -4.254 12.072 1.068 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.113 15.031 2.611 1.00 0.00 C ATOM 0 H ALA A 82 -2.906 16.207 0.811 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.580 13.733 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.470 14.315 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.410 15.718 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.958 15.593 2.213 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.181 13.781 -0.086 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.113 12.933 -0.810 1.00 0.00 C ATOM 1251 C ASP A 83 -5.411 12.337 -2.031 1.00 0.00 C ATOM 1252 O ASP A 83 -5.357 11.118 -2.187 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.319 13.736 -1.303 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.790 14.842 -0.357 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.786 14.583 0.866 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.144 15.922 -0.878 1.00 0.00 O ATOM 0 H ASP A 83 -5.243 14.774 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.453 12.150 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.070 14.183 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.148 13.049 -1.476 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.890 13.224 -2.867 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.194 12.800 -4.069 1.00 0.00 C ATOM 1263 C ARG A 84 -3.339 11.565 -3.780 1.00 0.00 C ATOM 1264 O ARG A 84 -3.559 10.503 -4.360 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.298 13.917 -4.609 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.468 14.073 -6.122 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.453 13.215 -6.879 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.141 13.836 -8.186 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.409 14.949 -8.334 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -0.910 15.570 -7.257 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.177 15.441 -9.559 1.00 0.00 N ATOM 0 H ARG A 84 -4.936 14.234 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.946 12.557 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.543 14.856 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.256 13.696 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.479 13.785 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.344 15.120 -6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.542 13.110 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.852 12.212 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.506 13.389 -9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.087 15.196 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.353 16.417 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.558 14.968 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.620 16.288 -9.671 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.380 11.745 -2.883 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.491 10.658 -2.510 1.00 0.00 C ATOM 1287 C LEU A 85 -2.322 9.423 -2.157 1.00 0.00 C ATOM 1288 O LEU A 85 -2.134 8.356 -2.741 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.544 11.100 -1.393 1.00 0.00 C ATOM 1290 CG LEU A 85 0.771 10.326 -1.283 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.864 10.978 -2.132 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.197 10.173 0.179 1.00 0.00 C ATOM 0 H LEU A 85 -2.200 12.627 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.852 10.384 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.311 12.155 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.072 11.018 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 85 0.610 9.323 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.788 10.408 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.553 10.992 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.030 11.999 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.135 9.619 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.334 11.159 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.426 9.632 0.728 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.224 9.607 -1.204 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.085 8.521 -0.767 1.00 0.00 C ATOM 1306 C ALA A 86 -4.694 7.836 -1.991 1.00 0.00 C ATOM 1307 O ALA A 86 -4.328 6.709 -2.323 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.150 9.066 0.187 1.00 0.00 C ATOM 0 H ALA A 86 -3.377 10.493 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.512 7.772 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.796 8.251 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.666 9.517 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.748 9.819 -0.327 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.615 8.544 -2.629 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.279 8.017 -3.810 1.00 0.00 C ATOM 1316 C TYR A 87 -5.304 7.217 -4.676 1.00 0.00 C ATOM 1317 O TYR A 87 -5.617 6.109 -5.108 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.763 9.234 -4.599 1.00 0.00 C ATOM 1319 CG TYR A 87 -7.901 8.930 -5.576 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.655 8.184 -6.711 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -9.173 9.402 -5.323 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -8.726 7.897 -7.630 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -10.244 9.115 -6.242 1.00 0.00 C ATOM 1324 CZ TYR A 87 -9.967 8.377 -7.350 1.00 0.00 C ATOM 1325 OH TYR A 87 -10.979 8.106 -8.218 1.00 0.00 O ATOM 0 H TYR A 87 -5.917 9.478 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.094 7.351 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.095 10.000 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.923 9.652 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.659 7.816 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.365 9.987 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.548 7.314 -8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.244 9.478 -6.055 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.809 8.511 -7.890 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.142 7.811 -4.906 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.119 7.167 -5.713 1.00 0.00 C ATOM 1337 C GLU A 88 -2.654 5.871 -5.046 1.00 0.00 C ATOM 1338 O GLU A 88 -2.871 4.783 -5.577 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.940 8.111 -5.959 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.318 9.213 -6.951 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.089 9.705 -7.718 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.518 8.881 -8.464 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.748 10.895 -7.540 1.00 0.00 O ATOM 0 H GLU A 88 -3.886 8.731 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.551 6.919 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.624 8.558 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.091 7.546 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.062 8.836 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.776 10.046 -6.418 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.022 6.031 -3.892 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.524 4.887 -3.147 1.00 0.00 C ATOM 1352 C VAL A 89 -2.557 3.759 -3.202 1.00 0.00 C ATOM 1353 O VAL A 89 -2.245 2.647 -3.625 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.172 5.306 -1.719 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.993 4.083 -0.817 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.077 6.190 -1.699 1.00 0.00 C ATOM 0 H VAL A 89 -1.844 6.935 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.606 4.509 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.003 5.892 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.743 4.409 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.919 3.509 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.189 3.459 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.305 6.474 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.919 5.640 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.102 7.087 -2.292 1.00 0.00 H new ATOM 1366 N SER A 90 -3.766 4.086 -2.769 1.00 0.00 N ATOM 1367 CA SER A 90 -4.846 3.114 -2.764 1.00 0.00 C ATOM 1368 C SER A 90 -4.890 2.373 -4.102 1.00 0.00 C ATOM 1369 O SER A 90 -5.089 1.159 -4.137 1.00 0.00 O ATOM 1370 CB SER A 90 -6.191 3.788 -2.486 1.00 0.00 C ATOM 1371 OG SER A 90 -6.220 5.134 -2.952 1.00 0.00 O ATOM 0 H SER A 90 -4.021 5.010 -2.419 1.00 0.00 H new ATOM 0 HA SER A 90 -4.657 2.397 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.987 3.220 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.390 3.771 -1.415 1.00 0.00 H new ATOM 0 HG SER A 90 -6.204 5.141 -3.932 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.701 3.133 -5.170 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.716 2.563 -6.506 1.00 0.00 C ATOM 1379 C LEU A 91 -3.490 1.668 -6.689 1.00 0.00 C ATOM 1380 O LEU A 91 -3.581 0.599 -7.291 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.833 3.668 -7.558 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.242 3.947 -8.086 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.545 5.447 -8.072 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.439 3.335 -9.474 1.00 0.00 C ATOM 0 H LEU A 91 -4.537 4.139 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.594 1.931 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.437 4.590 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.195 3.407 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.958 3.467 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.552 5.618 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.473 5.823 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.826 5.969 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.448 3.548 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.715 3.764 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.294 2.256 -9.420 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.370 2.136 -6.156 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.127 1.391 -6.253 1.00 0.00 C ATOM 1398 C LEU A 92 -1.322 0.000 -5.644 1.00 0.00 C ATOM 1399 O LEU A 92 -1.166 -1.009 -6.330 1.00 0.00 O ATOM 1400 CB LEU A 92 0.022 2.181 -5.623 1.00 0.00 C ATOM 1401 CG LEU A 92 0.730 3.181 -6.540 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.586 4.156 -5.730 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.546 2.457 -7.614 1.00 0.00 C ATOM 0 H LEU A 92 -2.298 3.022 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.850 1.247 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.365 2.721 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.762 1.473 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.029 3.770 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.078 4.856 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.952 4.707 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.339 3.601 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.039 3.190 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.297 1.827 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.883 1.837 -8.218 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.661 -0.008 -4.364 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.879 -1.258 -3.655 1.00 0.00 C ATOM 1417 C VAL A 93 -2.632 -2.230 -4.566 1.00 0.00 C ATOM 1418 O VAL A 93 -2.277 -3.404 -4.655 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.605 -0.991 -2.335 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.571 -2.226 -1.432 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.016 0.227 -1.622 1.00 0.00 C ATOM 0 H VAL A 93 -1.790 0.831 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.927 -1.723 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.648 -0.772 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.094 -2.010 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.059 -3.060 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.536 -2.489 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.550 0.395 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.961 0.050 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.116 1.105 -2.259 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.658 -1.705 -5.219 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.464 -2.512 -6.119 1.00 0.00 C ATOM 1433 C PHE A 94 -3.587 -3.224 -7.151 1.00 0.00 C ATOM 1434 O PHE A 94 -3.719 -4.429 -7.357 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.414 -1.558 -6.846 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.692 -2.223 -7.360 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.617 -3.374 -8.081 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.904 -1.664 -7.095 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.804 -3.992 -8.557 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.090 -2.282 -7.572 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.015 -3.433 -8.293 1.00 0.00 C ATOM 0 H PHE A 94 -3.950 -0.731 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.004 -3.272 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.685 -0.747 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.887 -1.108 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.655 -3.818 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.964 -0.750 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.745 -4.906 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.052 -1.838 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.917 -3.903 -8.656 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.712 -2.447 -7.773 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.813 -2.989 -8.778 1.00 0.00 C ATOM 1453 C GLN A 95 -0.661 -3.742 -8.110 1.00 0.00 C ATOM 1454 O GLN A 95 -0.326 -4.855 -8.513 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.287 -1.883 -9.695 1.00 0.00 C ATOM 1456 CG GLN A 95 0.062 -1.356 -9.201 1.00 0.00 C ATOM 1457 CD GLN A 95 0.621 -0.299 -10.155 1.00 0.00 C ATOM 1458 OE1 GLN A 95 0.286 0.872 -10.090 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.490 -0.776 -11.042 1.00 0.00 N ATOM 0 H GLN A 95 -2.607 -1.447 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.371 -3.693 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.182 -2.267 -10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.008 -1.066 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.054 -0.928 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.769 -2.181 -9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.727 -1.768 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.920 -0.150 -11.723 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.086 -3.105 -7.101 1.00 0.00 N ATOM 1469 CA LEU A 96 1.021 -3.701 -6.373 1.00 0.00 C ATOM 1470 C LEU A 96 0.587 -5.057 -5.813 1.00 0.00 C ATOM 1471 O LEU A 96 0.875 -6.097 -6.403 1.00 0.00 O ATOM 1472 CB LEU A 96 1.545 -2.735 -5.308 1.00 0.00 C ATOM 1473 CG LEU A 96 2.801 -1.944 -5.680 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.064 -2.671 -5.212 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.835 -1.642 -7.179 1.00 0.00 C ATOM 0 H LEU A 96 -0.366 -2.182 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 96 1.861 -3.886 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.752 -2.027 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.753 -3.303 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 96 2.769 -0.986 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.943 -2.088 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.034 -2.791 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.116 -3.652 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.738 -1.079 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.833 -2.577 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.959 -1.054 -7.452 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.099 -5.002 -4.681 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.576 -6.212 -4.035 1.00 0.00 C ATOM 1489 C ALA A 97 -1.441 -7.003 -5.018 1.00 0.00 C ATOM 1490 O ALA A 97 -1.027 -8.052 -5.510 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.333 -5.845 -2.757 1.00 0.00 C ATOM 0 H ALA A 97 -0.336 -4.137 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 97 0.261 -6.848 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.691 -6.753 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.666 -5.311 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.182 -5.209 -3.007 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.627 -6.471 -5.275 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.554 -7.114 -6.190 1.00 0.00 C ATOM 1499 C GLY A 98 -4.992 -7.005 -5.680 1.00 0.00 C ATOM 1500 O GLY A 98 -5.532 -7.961 -5.126 1.00 0.00 O ATOM 0 H GLY A 98 -2.967 -5.601 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.478 -6.653 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.285 -8.164 -6.308 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.572 -5.832 -5.886 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.937 -5.586 -5.454 1.00 0.00 C ATOM 1506 C GLY A 99 -7.935 -6.346 -6.331 1.00 0.00 C ATOM 1507 O GLY A 99 -7.547 -7.221 -7.104 1.00 0.00 O ATOM 0 H GLY A 99 -5.121 -5.041 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.054 -5.892 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.149 -4.518 -5.497 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.201 -5.984 -6.181 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.257 -6.620 -6.950 1.00 0.00 C ATOM 1513 C ILE A 100 -11.384 -5.614 -7.191 1.00 0.00 C ATOM 1514 O ILE A 100 -11.575 -4.690 -6.402 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.718 -7.907 -6.262 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.374 -7.604 -4.914 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.563 -8.901 -6.127 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.553 -8.544 -4.654 1.00 0.00 C ATOM 0 H ILE A 100 -9.519 -5.258 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.886 -6.923 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.475 -8.377 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.639 -7.708 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.718 -6.570 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.918 -9.807 -5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.181 -9.152 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.766 -8.454 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.001 -8.307 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.298 -8.420 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.201 -9.576 -4.647 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.100 -5.827 -8.285 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.203 -4.950 -8.640 1.00 0.00 C ATOM 1532 C GLY A 101 -12.751 -3.874 -9.629 1.00 0.00 C ATOM 1533 O GLY A 101 -11.706 -4.009 -10.264 1.00 0.00 O ATOM 0 H GLY A 101 -11.938 -6.594 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.011 -5.535 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.602 -4.479 -7.741 1.00 0.00 H new ATOM 1537 N GLU A 102 -13.561 -2.830 -9.730 1.00 0.00 N ATOM 1538 CA GLU A 102 -13.258 -1.731 -10.631 1.00 0.00 C ATOM 1539 C GLU A 102 -12.410 -0.677 -9.916 1.00 0.00 C ATOM 1540 O GLU A 102 -12.798 -0.172 -8.864 1.00 0.00 O ATOM 1541 CB GLU A 102 -14.539 -1.115 -11.194 1.00 0.00 C ATOM 1542 CG GLU A 102 -15.053 -1.916 -12.392 1.00 0.00 C ATOM 1543 CD GLU A 102 -14.821 -1.156 -13.700 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -15.333 -0.020 -13.795 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -14.136 -1.729 -14.575 1.00 0.00 O ATOM 0 H GLU A 102 -14.427 -2.722 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.683 -2.123 -11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.304 -1.084 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.349 -0.085 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.547 -2.881 -12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.117 -2.119 -12.269 1.00 0.00 H new ATOM 1552 N ARG A 103 -11.268 -0.376 -10.516 1.00 0.00 N ATOM 1553 CA ARG A 103 -10.362 0.609 -9.950 1.00 0.00 C ATOM 1554 C ARG A 103 -10.864 2.023 -10.245 1.00 0.00 C ATOM 1555 O ARG A 103 -11.577 2.241 -11.224 1.00 0.00 O ATOM 1556 CB ARG A 103 -8.950 0.448 -10.517 1.00 0.00 C ATOM 1557 CG ARG A 103 -8.460 -0.994 -10.368 1.00 0.00 C ATOM 1558 CD ARG A 103 -7.528 -1.378 -11.519 1.00 0.00 C ATOM 1559 NE ARG A 103 -8.188 -2.373 -12.393 1.00 0.00 N ATOM 1560 CZ ARG A 103 -7.720 -2.750 -13.591 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -6.585 -2.216 -14.064 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -8.385 -3.660 -14.315 1.00 0.00 N ATOM 0 H ARG A 103 -10.949 -0.797 -11.389 1.00 0.00 H new ATOM 0 HA ARG A 103 -10.329 0.449 -8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.942 0.731 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.268 1.123 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.937 -1.108 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.314 -1.671 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.265 -0.492 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.599 -1.788 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.054 -2.799 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.079 -1.524 -13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.228 -2.502 -14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.248 -4.067 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.028 -3.946 -15.227 1.00 0.00 H new ATOM 1576 N PRO A 104 -10.462 2.973 -9.358 1.00 0.00 N ATOM 1577 CA PRO A 104 -10.864 4.360 -9.514 1.00 0.00 C ATOM 1578 C PRO A 104 -10.082 5.035 -10.643 1.00 0.00 C ATOM 1579 O PRO A 104 -9.021 4.555 -11.040 1.00 0.00 O ATOM 1580 CB PRO A 104 -10.615 4.997 -8.156 1.00 0.00 C ATOM 1581 CG PRO A 104 -9.655 4.069 -7.431 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.618 2.751 -8.188 1.00 0.00 C ATOM 0 HA PRO A 104 -11.910 4.464 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.188 5.994 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.546 5.108 -7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.659 4.510 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.981 3.910 -6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -8.600 2.489 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.996 1.932 -7.576 1.00 0.00 H new ATOM 1590 N GLN A 105 -10.635 6.136 -11.127 1.00 0.00 N ATOM 1591 CA GLN A 105 -10.002 6.881 -12.202 1.00 0.00 C ATOM 1592 C GLN A 105 -8.529 7.136 -11.876 1.00 0.00 C ATOM 1593 O GLN A 105 -8.163 7.278 -10.711 1.00 0.00 O ATOM 1594 CB GLN A 105 -10.740 8.195 -12.467 1.00 0.00 C ATOM 1595 CG GLN A 105 -11.948 7.971 -13.379 1.00 0.00 C ATOM 1596 CD GLN A 105 -11.770 8.700 -14.713 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -10.753 9.318 -14.982 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -12.814 8.594 -15.531 1.00 0.00 N ATOM 0 H GLN A 105 -11.515 6.531 -10.795 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.054 6.283 -13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.068 8.629 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.060 8.912 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.080 6.904 -13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.852 8.325 -12.884 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -13.635 8.061 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.793 9.045 -16.445 1.00 0.00 H new ATOM 1607 N PRO A 106 -7.702 7.187 -12.955 1.00 0.00 N ATOM 1608 CA PRO A 106 -6.277 7.422 -12.795 1.00 0.00 C ATOM 1609 C PRO A 106 -5.997 8.890 -12.467 1.00 0.00 C ATOM 1610 O PRO A 106 -6.863 9.745 -12.644 1.00 0.00 O ATOM 1611 CB PRO A 106 -5.655 6.977 -14.109 1.00 0.00 C ATOM 1612 CG PRO A 106 -6.791 6.947 -15.119 1.00 0.00 C ATOM 1613 CD PRO A 106 -8.100 7.023 -14.350 1.00 0.00 C ATOM 0 HA PRO A 106 -5.850 6.867 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.871 7.666 -14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -5.194 5.994 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.707 7.783 -15.813 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.750 6.034 -15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.710 7.860 -14.689 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.694 6.119 -14.489 1.00 0.00 H new ATOM 1621 N SER A 107 -4.783 9.136 -11.996 1.00 0.00 N ATOM 1622 CA SER A 107 -4.378 10.486 -11.642 1.00 0.00 C ATOM 1623 C SER A 107 -4.189 11.324 -12.908 1.00 0.00 C ATOM 1624 O SER A 107 -3.106 11.339 -13.491 1.00 0.00 O ATOM 1625 CB SER A 107 -3.091 10.475 -10.815 1.00 0.00 C ATOM 1626 OG SER A 107 -2.785 11.763 -10.287 1.00 0.00 O ATOM 0 H SER A 107 -4.067 8.424 -11.851 1.00 0.00 H new ATOM 0 HA SER A 107 -5.165 10.932 -11.034 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.192 9.762 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.264 10.132 -11.436 1.00 0.00 H new ATOM 0 HG SER A 107 -2.562 12.373 -11.021 1.00 0.00 H new ATOM 1632 N GLY A 108 -5.260 12.002 -13.295 1.00 0.00 N ATOM 1633 CA GLY A 108 -5.225 12.841 -14.481 1.00 0.00 C ATOM 1634 C GLY A 108 -3.986 13.738 -14.482 1.00 0.00 C ATOM 1635 O GLY A 108 -3.450 14.064 -13.424 1.00 0.00 O ATOM 0 H GLY A 108 -6.156 11.987 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.226 12.215 -15.374 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.124 13.456 -14.522 1.00 0.00 H new ATOM 1639 N PRO A 109 -3.556 14.123 -15.714 1.00 0.00 N ATOM 1640 CA PRO A 109 -2.390 14.976 -15.867 1.00 0.00 C ATOM 1641 C PRO A 109 -2.716 16.423 -15.491 1.00 0.00 C ATOM 1642 O PRO A 109 -3.851 16.870 -15.656 1.00 0.00 O ATOM 1643 CB PRO A 109 -1.975 14.819 -17.320 1.00 0.00 C ATOM 1644 CG PRO A 109 -3.187 14.253 -18.041 1.00 0.00 C ATOM 1645 CD PRO A 109 -4.165 13.756 -16.989 1.00 0.00 C ATOM 0 HA PRO A 109 -1.574 14.695 -15.201 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.679 15.777 -17.747 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.119 14.151 -17.412 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -3.652 15.017 -18.664 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.892 13.439 -18.703 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -5.144 14.220 -17.108 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.312 12.678 -17.062 1.00 0.00 H new ATOM 1653 N SER A 110 -1.702 17.115 -14.994 1.00 0.00 N ATOM 1654 CA SER A 110 -1.867 18.502 -14.594 1.00 0.00 C ATOM 1655 C SER A 110 -0.543 19.055 -14.063 1.00 0.00 C ATOM 1656 O SER A 110 -0.137 18.736 -12.947 1.00 0.00 O ATOM 1657 CB SER A 110 -2.964 18.644 -13.537 1.00 0.00 C ATOM 1658 OG SER A 110 -3.676 19.871 -13.667 1.00 0.00 O ATOM 0 H SER A 110 -0.763 16.741 -14.859 1.00 0.00 H new ATOM 0 HA SER A 110 -2.168 19.077 -15.470 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.660 17.810 -13.623 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.519 18.587 -12.543 1.00 0.00 H new ATOM 0 HG SER A 110 -4.368 19.922 -12.975 1.00 0.00 H new ATOM 1664 N SER A 111 0.093 19.874 -14.887 1.00 0.00 N ATOM 1665 CA SER A 111 1.362 20.474 -14.514 1.00 0.00 C ATOM 1666 C SER A 111 1.800 21.480 -15.581 1.00 0.00 C ATOM 1667 O SER A 111 1.403 21.372 -16.740 1.00 0.00 O ATOM 1668 CB SER A 111 2.440 19.406 -14.319 1.00 0.00 C ATOM 1669 OG SER A 111 2.841 18.820 -15.554 1.00 0.00 O ATOM 0 H SER A 111 -0.247 20.136 -15.812 1.00 0.00 H new ATOM 0 HA SER A 111 1.228 20.995 -13.566 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.307 19.851 -13.831 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.064 18.628 -13.654 1.00 0.00 H new ATOM 0 HG SER A 111 3.531 18.145 -15.387 1.00 0.00 H new ATOM 1675 N GLY A 112 2.610 22.436 -15.150 1.00 0.00 N ATOM 1676 CA GLY A 112 3.105 23.460 -16.054 1.00 0.00 C ATOM 1677 C GLY A 112 4.120 24.366 -15.353 1.00 0.00 C ATOM 1678 O GLY A 112 4.766 25.193 -15.994 1.00 0.00 O ATOM 0 H GLY A 112 2.936 22.523 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.569 22.991 -16.922 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.272 24.058 -16.423 1.00 0.00 H new TER 1682 GLY A 112