USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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 26 GLN : amide:sc= 0.302 K(o=-0.11,f=-0.8) USER MOD Set 1.2: A 29 SER OG : rot -177:sc= -0.415 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0363 (180deg=0) USER MOD Single : A 2 SER OG : rot -22:sc= 0.522 USER MOD Single : A 3 SER OG : rot 25:sc= 0.00871 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00893 USER MOD Single : A 10 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.2) USER MOD Single : A 15 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.45) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00921 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -117:sc= 0.376 USER MOD Single : A 38 SER OG : rot 120:sc= -0.662 USER MOD Single : A 41 ASN : amide:sc= -0.0708 K(o=-0.071,f=-1.6!) USER MOD Single : A 42 TYR OH : rot -173:sc= -0.403 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 55 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.54) USER MOD Single : A 57 ASN : amide:sc= -0.642 K(o=-0.64,f=-2.9!) USER MOD Single : A 60 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= -1.42 X(o=-1.4,f=-0.93) USER MOD Single : A 69 TYR OH : rot -145:sc= 0.321 USER MOD Single : A 70 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.06) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.718 (180deg=-1.6!) USER MOD Single : A 82 SER OG : rot -68:sc= 1.21 USER MOD Single : A 84 THR OG1 : rot -24:sc= 0.65 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.29 K(o=-0.29,f=-4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= -0.454 (180deg=-2.16) USER MOD Single : A 105 SER OG : rot 180:sc= 0.00373 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.320 -5.491 33.882 1.00 0.00 N ATOM 2 CA GLY A 1 -15.473 -4.893 32.867 1.00 0.00 C ATOM 3 C GLY A 1 -15.391 -5.735 31.609 1.00 0.00 C ATOM 4 O GLY A 1 -16.326 -6.467 31.283 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.001 -4.784 34.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.834 -6.297 33.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.733 -5.820 34.674 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.857 -3.905 32.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.471 -4.752 33.272 1.00 0.00 H new ATOM 8 N SER A 2 -14.272 -5.631 30.901 1.00 0.00 N ATOM 9 CA SER A 2 -14.074 -6.386 29.668 1.00 0.00 C ATOM 10 C SER A 2 -12.589 -6.526 29.350 1.00 0.00 C ATOM 11 O SER A 2 -11.739 -5.959 30.036 1.00 0.00 O ATOM 12 CB SER A 2 -14.794 -5.701 28.505 1.00 0.00 C ATOM 13 OG SER A 2 -16.168 -5.508 28.798 1.00 0.00 O ATOM 0 H SER A 2 -13.488 -5.032 31.159 1.00 0.00 H new ATOM 0 HA SER A 2 -14.493 -7.382 29.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.324 -4.739 28.298 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.693 -6.306 27.604 1.00 0.00 H new ATOM 0 HG SER A 2 -16.446 -6.139 29.494 1.00 0.00 H new ATOM 19 N SER A 3 -12.284 -7.286 28.303 1.00 0.00 N ATOM 20 CA SER A 3 -10.901 -7.506 27.894 1.00 0.00 C ATOM 21 C SER A 3 -10.787 -7.562 26.374 1.00 0.00 C ATOM 22 O SER A 3 -11.781 -7.738 25.671 1.00 0.00 O ATOM 23 CB SER A 3 -10.366 -8.802 28.506 1.00 0.00 C ATOM 24 OG SER A 3 -9.842 -8.575 29.803 1.00 0.00 O ATOM 0 H SER A 3 -12.976 -7.760 27.722 1.00 0.00 H new ATOM 0 HA SER A 3 -10.303 -6.669 28.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.166 -9.541 28.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.589 -9.217 27.864 1.00 0.00 H new ATOM 0 HG SER A 3 -10.265 -7.782 30.193 1.00 0.00 H new ATOM 30 N GLY A 4 -9.565 -7.412 25.873 1.00 0.00 N ATOM 31 CA GLY A 4 -9.341 -7.448 24.439 1.00 0.00 C ATOM 32 C GLY A 4 -8.020 -8.096 24.075 1.00 0.00 C ATOM 33 O GLY A 4 -7.454 -8.853 24.863 1.00 0.00 O ATOM 0 H GLY A 4 -8.726 -7.266 26.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.154 -7.994 23.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.365 -6.432 24.045 1.00 0.00 H new ATOM 37 N SER A 5 -7.528 -7.800 22.876 1.00 0.00 N ATOM 38 CA SER A 5 -6.268 -8.363 22.407 1.00 0.00 C ATOM 39 C SER A 5 -5.684 -7.521 21.276 1.00 0.00 C ATOM 40 O SER A 5 -6.395 -7.120 20.355 1.00 0.00 O ATOM 41 CB SER A 5 -6.474 -9.803 21.932 1.00 0.00 C ATOM 42 OG SER A 5 -5.284 -10.561 22.068 1.00 0.00 O ATOM 0 H SER A 5 -7.983 -7.174 22.212 1.00 0.00 H new ATOM 0 HA SER A 5 -5.565 -8.360 23.240 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.273 -10.269 22.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.792 -9.803 20.889 1.00 0.00 H new ATOM 0 HG SER A 5 -5.443 -11.477 21.759 1.00 0.00 H new ATOM 48 N SER A 6 -4.383 -7.258 21.354 1.00 0.00 N ATOM 49 CA SER A 6 -3.703 -6.461 20.340 1.00 0.00 C ATOM 50 C SER A 6 -2.943 -7.355 19.365 1.00 0.00 C ATOM 51 O SER A 6 -2.838 -8.564 19.567 1.00 0.00 O ATOM 52 CB SER A 6 -2.740 -5.472 21.000 1.00 0.00 C ATOM 53 OG SER A 6 -1.999 -6.096 22.035 1.00 0.00 O ATOM 0 H SER A 6 -3.779 -7.585 22.108 1.00 0.00 H new ATOM 0 HA SER A 6 -4.458 -5.906 19.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.057 -5.069 20.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.300 -4.630 21.406 1.00 0.00 H new ATOM 0 HG SER A 6 -1.390 -5.444 22.440 1.00 0.00 H new ATOM 59 N GLY A 7 -2.415 -6.750 18.305 1.00 0.00 N ATOM 60 CA GLY A 7 -1.672 -7.506 17.314 1.00 0.00 C ATOM 61 C GLY A 7 -2.502 -8.604 16.679 1.00 0.00 C ATOM 62 O GLY A 7 -3.276 -8.352 15.754 1.00 0.00 O ATOM 0 H GLY A 7 -2.489 -5.751 18.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.316 -6.829 16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.791 -7.945 17.782 1.00 0.00 H new ATOM 66 N LEU A 8 -2.342 -9.826 17.175 1.00 0.00 N ATOM 67 CA LEU A 8 -3.083 -10.967 16.649 1.00 0.00 C ATOM 68 C LEU A 8 -4.519 -10.968 17.162 1.00 0.00 C ATOM 69 O LEU A 8 -4.944 -11.899 17.848 1.00 0.00 O ATOM 70 CB LEU A 8 -2.389 -12.274 17.040 1.00 0.00 C ATOM 71 CG LEU A 8 -2.622 -13.463 16.107 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.865 -13.274 14.802 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.207 -14.761 16.784 1.00 0.00 C ATOM 0 H LEU A 8 -1.706 -10.052 17.940 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.105 -10.884 15.562 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.316 -12.089 17.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.720 -12.553 18.040 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.687 -13.519 15.880 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.043 -14.130 14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.211 -12.365 14.309 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.798 -13.191 15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.380 -15.597 16.106 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.149 -14.715 17.041 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.795 -14.902 17.691 1.00 0.00 H new ATOM 85 N VAL A 9 -5.263 -9.920 16.825 1.00 0.00 N ATOM 86 CA VAL A 9 -6.653 -9.801 17.248 1.00 0.00 C ATOM 87 C VAL A 9 -7.550 -10.752 16.464 1.00 0.00 C ATOM 88 O VAL A 9 -7.301 -11.029 15.291 1.00 0.00 O ATOM 89 CB VAL A 9 -7.172 -8.362 17.073 1.00 0.00 C ATOM 90 CG1 VAL A 9 -7.138 -7.956 15.607 1.00 0.00 C ATOM 91 CG2 VAL A 9 -8.579 -8.230 17.638 1.00 0.00 C ATOM 0 H VAL A 9 -4.926 -9.141 16.260 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.685 -10.065 18.305 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.518 -7.689 17.627 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.508 -6.936 15.503 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.114 -8.009 15.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.768 -8.631 15.028 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.930 -7.206 17.506 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.247 -8.913 17.114 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.569 -8.476 18.700 1.00 0.00 H new ATOM 101 N GLN A 10 -8.595 -11.248 17.119 1.00 0.00 N ATOM 102 CA GLN A 10 -9.529 -12.168 16.483 1.00 0.00 C ATOM 103 C GLN A 10 -10.962 -11.875 16.914 1.00 0.00 C ATOM 104 O GLN A 10 -11.207 -10.979 17.721 1.00 0.00 O ATOM 105 CB GLN A 10 -9.167 -13.614 16.826 1.00 0.00 C ATOM 106 CG GLN A 10 -8.337 -14.304 15.756 1.00 0.00 C ATOM 107 CD GLN A 10 -7.414 -15.363 16.325 1.00 0.00 C ATOM 108 OE1 GLN A 10 -6.867 -15.204 17.417 1.00 0.00 O ATOM 109 NE2 GLN A 10 -7.235 -16.453 15.587 1.00 0.00 N ATOM 0 H GLN A 10 -8.816 -11.028 18.090 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.458 -12.029 15.404 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.616 -13.628 17.767 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.084 -14.181 16.985 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.003 -14.763 15.025 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.745 -13.559 15.225 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.708 -16.543 14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.625 -17.199 15.920 1.00 0.00 H new ATOM 118 N GLY A 11 -11.907 -12.635 16.369 1.00 0.00 N ATOM 119 CA GLY A 11 -13.304 -12.440 16.710 1.00 0.00 C ATOM 120 C GLY A 11 -13.937 -11.304 15.932 1.00 0.00 C ATOM 121 O GLY A 11 -14.936 -11.497 15.239 1.00 0.00 O ATOM 0 H GLY A 11 -11.730 -13.382 15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.854 -13.361 16.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.389 -12.237 17.778 1.00 0.00 H new ATOM 125 N ARG A 12 -13.356 -10.114 16.047 1.00 0.00 N ATOM 126 CA ARG A 12 -13.871 -8.941 15.351 1.00 0.00 C ATOM 127 C ARG A 12 -14.044 -9.225 13.862 1.00 0.00 C ATOM 128 O ARG A 12 -13.182 -9.839 13.233 1.00 0.00 O ATOM 129 CB ARG A 12 -12.931 -7.750 15.549 1.00 0.00 C ATOM 130 CG ARG A 12 -12.973 -7.167 16.952 1.00 0.00 C ATOM 131 CD ARG A 12 -12.448 -5.741 16.978 1.00 0.00 C ATOM 132 NE ARG A 12 -12.696 -5.089 18.261 1.00 0.00 N ATOM 133 CZ ARG A 12 -13.881 -4.612 18.626 1.00 0.00 C ATOM 134 NH1 ARG A 12 -14.920 -4.713 17.809 1.00 0.00 N ATOM 135 NH2 ARG A 12 -14.028 -4.032 19.810 1.00 0.00 N ATOM 0 H ARG A 12 -12.528 -9.937 16.616 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.846 -8.699 15.773 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.911 -8.062 15.325 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.190 -6.970 14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.997 -7.186 17.324 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.378 -7.787 17.623 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.377 -5.745 16.775 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.921 -5.166 16.182 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.917 -4.995 18.912 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.811 -5.158 16.898 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.829 -4.346 18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.231 -3.952 20.441 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.938 -3.666 20.089 1.00 0.00 H new ATOM 149 N ARG A 13 -15.164 -8.774 13.305 1.00 0.00 N ATOM 150 CA ARG A 13 -15.450 -8.981 11.891 1.00 0.00 C ATOM 151 C ARG A 13 -15.818 -7.665 11.212 1.00 0.00 C ATOM 152 O ARG A 13 -16.746 -6.975 11.634 1.00 0.00 O ATOM 153 CB ARG A 13 -16.588 -9.990 11.722 1.00 0.00 C ATOM 154 CG ARG A 13 -16.885 -10.335 10.272 1.00 0.00 C ATOM 155 CD ARG A 13 -15.651 -10.867 9.561 1.00 0.00 C ATOM 156 NE ARG A 13 -15.946 -11.295 8.196 1.00 0.00 N ATOM 157 CZ ARG A 13 -16.571 -12.430 7.901 1.00 0.00 C ATOM 158 NH1 ARG A 13 -16.964 -13.246 8.869 1.00 0.00 N ATOM 159 NH2 ARG A 13 -16.804 -12.750 6.634 1.00 0.00 N ATOM 0 H ARG A 13 -15.887 -8.263 13.812 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.550 -9.375 11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.335 -10.904 12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.490 -9.588 12.183 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.680 -11.080 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.251 -9.449 9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.883 -10.094 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.242 -11.706 10.124 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.657 -10.690 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.787 -13.003 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.443 -14.116 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.503 -12.125 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.284 -13.621 6.408 1.00 0.00 H new ATOM 173 N VAL A 14 -15.083 -7.322 10.159 1.00 0.00 N ATOM 174 CA VAL A 14 -15.332 -6.089 9.422 1.00 0.00 C ATOM 175 C VAL A 14 -16.331 -6.316 8.292 1.00 0.00 C ATOM 176 O VAL A 14 -16.267 -7.322 7.585 1.00 0.00 O ATOM 177 CB VAL A 14 -14.030 -5.515 8.833 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.330 -4.335 7.921 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.075 -5.110 9.946 1.00 0.00 C ATOM 0 H VAL A 14 -14.310 -7.881 9.797 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.747 -5.374 10.132 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.549 -6.290 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.398 -3.943 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.973 -4.661 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.834 -3.554 8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.160 -4.707 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.546 -4.351 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.834 -5.982 10.554 1.00 0.00 H new ATOM 189 N HIS A 15 -17.254 -5.374 8.128 1.00 0.00 N ATOM 190 CA HIS A 15 -18.267 -5.470 7.083 1.00 0.00 C ATOM 191 C HIS A 15 -18.326 -4.185 6.264 1.00 0.00 C ATOM 192 O HIS A 15 -18.645 -3.117 6.788 1.00 0.00 O ATOM 193 CB HIS A 15 -19.637 -5.761 7.697 1.00 0.00 C ATOM 194 CG HIS A 15 -19.850 -7.206 8.029 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.227 -8.233 7.353 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.621 -7.793 8.974 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.607 -9.390 7.866 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.453 -9.150 8.852 1.00 0.00 N ATOM 0 H HIS A 15 -17.321 -4.536 8.705 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.993 -6.290 6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.753 -5.167 8.604 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.413 -5.438 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.251 -7.288 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.282 -10.365 7.536 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.907 -9.858 9.429 1.00 0.00 H new ATOM 206 N ILE A 16 -18.016 -4.295 4.976 1.00 0.00 N ATOM 207 CA ILE A 16 -18.035 -3.141 4.085 1.00 0.00 C ATOM 208 C ILE A 16 -19.446 -2.581 3.940 1.00 0.00 C ATOM 209 O ILE A 16 -20.239 -3.070 3.134 1.00 0.00 O ATOM 210 CB ILE A 16 -17.491 -3.499 2.690 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.058 -4.025 2.796 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.550 -2.288 1.771 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.073 -2.995 3.306 1.00 0.00 C ATOM 0 H ILE A 16 -17.749 -5.171 4.527 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.391 -2.385 4.534 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.115 -4.284 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.045 -4.889 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.733 -4.372 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.162 -2.557 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.583 -1.955 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.947 -1.483 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.078 -3.437 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.057 -2.140 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.374 -2.665 4.300 1.00 0.00 H new ATOM 225 N ILE A 17 -19.752 -1.553 4.724 1.00 0.00 N ATOM 226 CA ILE A 17 -21.066 -0.924 4.680 1.00 0.00 C ATOM 227 C ILE A 17 -21.260 -0.145 3.384 1.00 0.00 C ATOM 228 O ILE A 17 -22.122 -0.479 2.571 1.00 0.00 O ATOM 229 CB ILE A 17 -21.275 0.026 5.874 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.852 -0.655 7.177 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.729 0.469 5.950 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.055 0.207 8.403 1.00 0.00 C ATOM 0 H ILE A 17 -19.108 -1.138 5.397 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.802 -1.726 4.731 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.653 0.909 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.418 -1.579 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.800 -0.932 7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.861 1.140 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.999 0.989 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.369 -0.404 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.734 -0.340 9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.467 1.120 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.110 0.463 8.497 1.00 0.00 H new ATOM 244 N GLU A 18 -20.451 0.894 3.197 1.00 0.00 N ATOM 245 CA GLU A 18 -20.534 1.720 1.999 1.00 0.00 C ATOM 246 C GLU A 18 -19.182 1.792 1.294 1.00 0.00 C ATOM 247 O GLU A 18 -18.425 2.746 1.477 1.00 0.00 O ATOM 248 CB GLU A 18 -21.012 3.129 2.355 1.00 0.00 C ATOM 249 CG GLU A 18 -22.264 3.147 3.216 1.00 0.00 C ATOM 250 CD GLU A 18 -23.038 4.445 3.093 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.630 5.305 2.285 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.052 4.600 3.805 1.00 0.00 O ATOM 0 H GLU A 18 -19.731 1.183 3.860 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.254 1.261 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.213 3.653 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.206 3.681 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.909 2.316 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.986 2.992 4.258 1.00 0.00 H new ATOM 259 N ASP A 19 -18.887 0.778 0.488 1.00 0.00 N ATOM 260 CA ASP A 19 -17.627 0.727 -0.245 1.00 0.00 C ATOM 261 C ASP A 19 -17.426 1.994 -1.070 1.00 0.00 C ATOM 262 O ASP A 19 -18.389 2.676 -1.424 1.00 0.00 O ATOM 263 CB ASP A 19 -17.594 -0.501 -1.157 1.00 0.00 C ATOM 264 CG ASP A 19 -16.181 -0.920 -1.512 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.560 -0.250 -2.363 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.696 -1.918 -0.939 1.00 0.00 O ATOM 0 H ASP A 19 -19.502 -0.019 0.326 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.816 0.655 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.103 -1.330 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.147 -0.286 -2.071 1.00 0.00 H new ATOM 271 N LEU A 20 -16.170 2.305 -1.371 1.00 0.00 N ATOM 272 CA LEU A 20 -15.842 3.491 -2.153 1.00 0.00 C ATOM 273 C LEU A 20 -16.619 3.511 -3.465 1.00 0.00 C ATOM 274 O LEU A 20 -17.293 2.541 -3.812 1.00 0.00 O ATOM 275 CB LEU A 20 -14.339 3.540 -2.437 1.00 0.00 C ATOM 276 CG LEU A 20 -13.422 3.349 -1.228 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.256 2.438 -1.581 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.917 4.693 -0.724 1.00 0.00 C ATOM 0 H LEU A 20 -15.362 1.752 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.125 4.368 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.103 2.771 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.107 4.501 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.997 2.877 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.614 2.314 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.636 1.465 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.681 2.881 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.266 4.538 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.359 5.192 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.764 5.313 -0.431 1.00 0.00 H new ATOM 290 N GLU A 21 -16.518 4.620 -4.191 1.00 0.00 N ATOM 291 CA GLU A 21 -17.211 4.764 -5.466 1.00 0.00 C ATOM 292 C GLU A 21 -16.217 4.965 -6.606 1.00 0.00 C ATOM 293 O GLU A 21 -15.958 4.049 -7.386 1.00 0.00 O ATOM 294 CB GLU A 21 -18.187 5.942 -5.411 1.00 0.00 C ATOM 295 CG GLU A 21 -19.311 5.754 -4.407 1.00 0.00 C ATOM 296 CD GLU A 21 -20.565 6.519 -4.785 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.681 7.699 -4.392 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.429 5.939 -5.475 1.00 0.00 O ATOM 0 H GLU A 21 -15.963 5.431 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.770 3.847 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.636 6.848 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.617 6.093 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.548 4.693 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.973 6.081 -3.424 1.00 0.00 H new ATOM 305 N ASP A 22 -15.665 6.170 -6.695 1.00 0.00 N ATOM 306 CA ASP A 22 -14.698 6.492 -7.739 1.00 0.00 C ATOM 307 C ASP A 22 -14.227 7.938 -7.615 1.00 0.00 C ATOM 308 O ASP A 22 -14.850 8.749 -6.930 1.00 0.00 O ATOM 309 CB ASP A 22 -15.312 6.260 -9.120 1.00 0.00 C ATOM 310 CG ASP A 22 -16.716 6.820 -9.232 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.039 7.764 -8.482 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.492 6.314 -10.070 1.00 0.00 O ATOM 0 H ASP A 22 -15.870 6.940 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.836 5.836 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.679 6.721 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.333 5.191 -9.330 1.00 0.00 H new ATOM 317 N VAL A 23 -13.121 8.253 -8.281 1.00 0.00 N ATOM 318 CA VAL A 23 -12.565 9.601 -8.245 1.00 0.00 C ATOM 319 C VAL A 23 -11.830 9.927 -9.541 1.00 0.00 C ATOM 320 O VAL A 23 -11.190 9.061 -10.138 1.00 0.00 O ATOM 321 CB VAL A 23 -11.597 9.778 -7.061 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.980 11.168 -7.078 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.314 9.520 -5.744 1.00 0.00 C ATOM 0 H VAL A 23 -12.592 7.594 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.404 10.286 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.793 9.049 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.299 11.274 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.430 11.311 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.768 11.917 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.615 9.649 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.139 10.224 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.702 8.502 -5.735 1.00 0.00 H new ATOM 333 N ASP A 24 -11.926 11.180 -9.970 1.00 0.00 N ATOM 334 CA ASP A 24 -11.269 11.622 -11.194 1.00 0.00 C ATOM 335 C ASP A 24 -10.860 13.088 -11.093 1.00 0.00 C ATOM 336 O ASP A 24 -11.696 13.985 -11.203 1.00 0.00 O ATOM 337 CB ASP A 24 -12.193 11.419 -12.396 1.00 0.00 C ATOM 338 CG ASP A 24 -13.539 12.090 -12.211 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.396 11.516 -11.507 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.737 13.189 -12.771 1.00 0.00 O ATOM 0 H ASP A 24 -12.453 11.908 -9.488 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.370 11.022 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.713 11.815 -13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.342 10.352 -12.560 1.00 0.00 H new ATOM 345 N VAL A 25 -9.569 13.324 -10.883 1.00 0.00 N ATOM 346 CA VAL A 25 -9.049 14.681 -10.768 1.00 0.00 C ATOM 347 C VAL A 25 -7.615 14.766 -11.278 1.00 0.00 C ATOM 348 O VAL A 25 -6.910 13.760 -11.345 1.00 0.00 O ATOM 349 CB VAL A 25 -9.094 15.177 -9.310 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.490 15.010 -8.731 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.066 14.439 -8.465 1.00 0.00 C ATOM 0 H VAL A 25 -8.864 12.593 -10.789 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.687 15.317 -11.381 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.847 16.239 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.502 15.366 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.201 15.587 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.770 13.957 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.111 14.802 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.280 13.370 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.069 14.616 -8.869 1.00 0.00 H new ATOM 361 N GLN A 26 -7.190 15.973 -11.636 1.00 0.00 N ATOM 362 CA GLN A 26 -5.840 16.189 -12.141 1.00 0.00 C ATOM 363 C GLN A 26 -4.800 15.834 -11.083 1.00 0.00 C ATOM 364 O GLN A 26 -5.046 15.975 -9.886 1.00 0.00 O ATOM 365 CB GLN A 26 -5.662 17.644 -12.579 1.00 0.00 C ATOM 366 CG GLN A 26 -5.727 18.637 -11.430 1.00 0.00 C ATOM 367 CD GLN A 26 -7.063 19.349 -11.349 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.890 19.046 -10.489 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.281 20.303 -12.247 1.00 0.00 N ATOM 0 H GLN A 26 -7.761 16.816 -11.586 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.694 15.537 -13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.702 17.748 -13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.434 17.893 -13.307 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.541 18.114 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.933 19.375 -11.547 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.567 20.522 -12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.162 20.817 -12.241 1.00 0.00 H new ATOM 378 N GLU A 27 -3.638 15.371 -11.534 1.00 0.00 N ATOM 379 CA GLU A 27 -2.562 14.994 -10.625 1.00 0.00 C ATOM 380 C GLU A 27 -2.106 16.192 -9.796 1.00 0.00 C ATOM 381 O GLU A 27 -2.086 17.323 -10.279 1.00 0.00 O ATOM 382 CB GLU A 27 -1.379 14.422 -11.409 1.00 0.00 C ATOM 383 CG GLU A 27 -0.429 15.483 -11.938 1.00 0.00 C ATOM 384 CD GLU A 27 0.747 15.728 -11.013 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.763 15.015 -11.143 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.650 16.634 -10.158 1.00 0.00 O ATOM 0 H GLU A 27 -3.418 15.248 -12.522 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.943 14.229 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.825 13.738 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.758 13.836 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.059 15.178 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.975 16.416 -12.080 1.00 0.00 H new ATOM 393 N GLY A 28 -1.740 15.933 -8.544 1.00 0.00 N ATOM 394 CA GLY A 28 -1.290 16.998 -7.668 1.00 0.00 C ATOM 395 C GLY A 28 -2.399 17.527 -6.781 1.00 0.00 C ATOM 396 O GLY A 28 -2.138 18.171 -5.765 1.00 0.00 O ATOM 0 H GLY A 28 -1.747 15.005 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.474 16.631 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.890 17.814 -8.269 1.00 0.00 H new ATOM 400 N SER A 29 -3.643 17.257 -7.166 1.00 0.00 N ATOM 401 CA SER A 29 -4.796 17.715 -6.401 1.00 0.00 C ATOM 402 C SER A 29 -5.077 16.780 -5.228 1.00 0.00 C ATOM 403 O SER A 29 -4.311 15.853 -4.962 1.00 0.00 O ATOM 404 CB SER A 29 -6.029 17.804 -7.302 1.00 0.00 C ATOM 405 OG SER A 29 -5.846 18.770 -8.323 1.00 0.00 O ATOM 0 H SER A 29 -3.877 16.723 -8.003 1.00 0.00 H new ATOM 0 HA SER A 29 -4.569 18.706 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.227 16.830 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.902 18.064 -6.704 1.00 0.00 H new ATOM 0 HG SER A 29 -6.665 18.842 -8.856 1.00 0.00 H new ATOM 411 N SER A 30 -6.180 17.031 -4.530 1.00 0.00 N ATOM 412 CA SER A 30 -6.560 16.216 -3.383 1.00 0.00 C ATOM 413 C SER A 30 -7.752 15.325 -3.721 1.00 0.00 C ATOM 414 O SER A 30 -8.886 15.795 -3.810 1.00 0.00 O ATOM 415 CB SER A 30 -6.898 17.107 -2.186 1.00 0.00 C ATOM 416 OG SER A 30 -7.370 18.374 -2.611 1.00 0.00 O ATOM 0 H SER A 30 -6.826 17.792 -4.739 1.00 0.00 H new ATOM 0 HA SER A 30 -5.714 15.579 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.655 16.622 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.013 17.235 -1.563 1.00 0.00 H new ATOM 0 HG SER A 30 -7.581 18.924 -1.828 1.00 0.00 H new ATOM 422 N ALA A 31 -7.486 14.037 -3.908 1.00 0.00 N ATOM 423 CA ALA A 31 -8.535 13.079 -4.234 1.00 0.00 C ATOM 424 C ALA A 31 -9.140 12.475 -2.971 1.00 0.00 C ATOM 425 O ALA A 31 -8.488 11.706 -2.264 1.00 0.00 O ATOM 426 CB ALA A 31 -7.987 11.983 -5.136 1.00 0.00 C ATOM 0 H ALA A 31 -6.552 13.632 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.325 13.610 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.781 11.275 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.610 12.425 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.177 11.463 -4.625 1.00 0.00 H new ATOM 432 N THR A 32 -10.390 12.829 -2.691 1.00 0.00 N ATOM 433 CA THR A 32 -11.082 12.324 -1.512 1.00 0.00 C ATOM 434 C THR A 32 -11.660 10.936 -1.766 1.00 0.00 C ATOM 435 O THR A 32 -12.266 10.686 -2.809 1.00 0.00 O ATOM 436 CB THR A 32 -12.218 13.269 -1.079 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.719 14.604 -0.940 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.831 12.812 0.236 1.00 0.00 C ATOM 0 H THR A 32 -10.944 13.464 -3.265 1.00 0.00 H new ATOM 0 HA THR A 32 -10.343 12.266 -0.713 1.00 0.00 H new ATOM 0 HB THR A 32 -12.990 13.249 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.448 15.199 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.631 13.495 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.237 11.807 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.065 12.806 1.012 1.00 0.00 H new ATOM 446 N PHE A 33 -11.469 10.036 -0.807 1.00 0.00 N ATOM 447 CA PHE A 33 -11.972 8.673 -0.928 1.00 0.00 C ATOM 448 C PHE A 33 -12.721 8.256 0.335 1.00 0.00 C ATOM 449 O PHE A 33 -12.117 7.796 1.304 1.00 0.00 O ATOM 450 CB PHE A 33 -10.818 7.703 -1.194 1.00 0.00 C ATOM 451 CG PHE A 33 -10.433 7.613 -2.643 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.212 6.896 -3.537 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.293 8.245 -3.111 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.860 6.811 -4.871 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.936 8.164 -4.444 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.721 7.446 -5.325 1.00 0.00 C ATOM 0 H PHE A 33 -10.970 10.226 0.062 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.666 8.641 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.950 8.016 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.098 6.711 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.104 6.398 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.676 8.808 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.475 6.248 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.044 8.661 -4.796 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.444 7.381 -6.367 1.00 0.00 H new ATOM 466 N ARG A 34 -14.039 8.420 0.315 1.00 0.00 N ATOM 467 CA ARG A 34 -14.871 8.063 1.458 1.00 0.00 C ATOM 468 C ARG A 34 -15.250 6.586 1.413 1.00 0.00 C ATOM 469 O ARG A 34 -15.339 5.989 0.339 1.00 0.00 O ATOM 470 CB ARG A 34 -16.135 8.924 1.484 1.00 0.00 C ATOM 471 CG ARG A 34 -16.042 10.113 2.427 1.00 0.00 C ATOM 472 CD ARG A 34 -17.170 11.104 2.187 1.00 0.00 C ATOM 473 NE ARG A 34 -18.481 10.462 2.227 1.00 0.00 N ATOM 474 CZ ARG A 34 -19.582 11.007 1.722 1.00 0.00 C ATOM 475 NH1 ARG A 34 -19.530 12.197 1.140 1.00 0.00 N ATOM 476 NH2 ARG A 34 -20.739 10.361 1.797 1.00 0.00 N ATOM 0 H ARG A 34 -14.554 8.798 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.296 8.246 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.339 9.285 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.981 8.303 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.076 9.764 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.083 10.612 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.128 11.890 2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.031 11.584 1.218 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.555 9.545 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.643 12.697 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.377 12.613 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.784 9.445 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.584 10.781 1.409 1.00 0.00 H new ATOM 490 N CYS A 35 -15.472 6.002 2.586 1.00 0.00 N ATOM 491 CA CYS A 35 -15.840 4.594 2.681 1.00 0.00 C ATOM 492 C CYS A 35 -16.347 4.258 4.080 1.00 0.00 C ATOM 493 O CYS A 35 -15.696 4.569 5.078 1.00 0.00 O ATOM 494 CB CYS A 35 -14.644 3.708 2.332 1.00 0.00 C ATOM 495 SG CYS A 35 -13.137 4.106 3.250 1.00 0.00 S ATOM 0 H CYS A 35 -15.404 6.482 3.484 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.643 4.405 1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.908 2.668 2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.440 3.795 1.265 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.216 4.500 2.422 1.00 0.00 H new ATOM 501 N ARG A 36 -17.513 3.623 4.145 1.00 0.00 N ATOM 502 CA ARG A 36 -18.108 3.248 5.422 1.00 0.00 C ATOM 503 C ARG A 36 -17.866 1.772 5.722 1.00 0.00 C ATOM 504 O ARG A 36 -18.456 0.895 5.089 1.00 0.00 O ATOM 505 CB ARG A 36 -19.610 3.538 5.413 1.00 0.00 C ATOM 506 CG ARG A 36 -20.185 3.811 6.794 1.00 0.00 C ATOM 507 CD ARG A 36 -21.705 3.860 6.764 1.00 0.00 C ATOM 508 NE ARG A 36 -22.278 3.891 8.107 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.551 4.175 8.356 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.380 4.450 7.359 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.998 4.183 9.606 1.00 0.00 N ATOM 0 H ARG A 36 -18.064 3.358 3.329 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.634 3.842 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.802 4.399 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.133 2.689 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.858 3.034 7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.797 4.757 7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.028 4.742 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.085 2.991 6.228 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.667 3.683 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.041 4.444 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.357 4.668 7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.363 3.971 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.976 4.401 9.797 1.00 0.00 H new ATOM 525 N ILE A 37 -16.996 1.504 6.689 1.00 0.00 N ATOM 526 CA ILE A 37 -16.677 0.135 7.072 1.00 0.00 C ATOM 527 C ILE A 37 -16.879 -0.079 8.569 1.00 0.00 C ATOM 528 O ILE A 37 -16.406 0.709 9.388 1.00 0.00 O ATOM 529 CB ILE A 37 -15.226 -0.229 6.705 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.244 0.650 7.482 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.007 -0.082 5.207 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.670 -0.025 8.708 1.00 0.00 C ATOM 0 H ILE A 37 -16.499 2.218 7.222 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.357 -0.513 6.519 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.047 -1.269 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.427 0.941 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.750 1.566 7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.977 -0.343 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.686 -0.747 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.201 0.949 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.982 0.656 9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.478 -0.291 9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.135 -0.927 8.410 1.00 0.00 H new ATOM 544 N SER A 38 -17.584 -1.150 8.918 1.00 0.00 N ATOM 545 CA SER A 38 -17.851 -1.467 10.316 1.00 0.00 C ATOM 546 C SER A 38 -16.756 -2.363 10.889 1.00 0.00 C ATOM 547 O SER A 38 -16.086 -3.104 10.170 1.00 0.00 O ATOM 548 CB SER A 38 -19.211 -2.152 10.455 1.00 0.00 C ATOM 549 OG SER A 38 -19.179 -3.150 11.461 1.00 0.00 O ATOM 0 H SER A 38 -17.981 -1.813 8.252 1.00 0.00 H new ATOM 0 HA SER A 38 -17.864 -0.533 10.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.972 -1.410 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.495 -2.600 9.503 1.00 0.00 H new ATOM 0 HG SER A 38 -19.833 -2.933 12.158 1.00 0.00 H new ATOM 555 N PRO A 39 -16.570 -2.294 12.215 1.00 0.00 N ATOM 556 CA PRO A 39 -17.362 -1.415 13.081 1.00 0.00 C ATOM 557 C PRO A 39 -17.040 0.059 12.861 1.00 0.00 C ATOM 558 O PRO A 39 -15.936 0.407 12.443 1.00 0.00 O ATOM 559 CB PRO A 39 -16.954 -1.847 14.492 1.00 0.00 C ATOM 560 CG PRO A 39 -15.592 -2.427 14.332 1.00 0.00 C ATOM 561 CD PRO A 39 -15.572 -3.069 12.972 1.00 0.00 C ATOM 0 HA PRO A 39 -18.431 -1.504 12.885 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.945 -1.000 15.178 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.651 -2.580 14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.827 -1.654 14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.386 -3.160 15.112 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.585 -3.009 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.837 -4.125 13.022 1.00 0.00 H new ATOM 569 N ALA A 40 -18.010 0.921 13.146 1.00 0.00 N ATOM 570 CA ALA A 40 -17.828 2.358 12.981 1.00 0.00 C ATOM 571 C ALA A 40 -16.608 2.849 13.751 1.00 0.00 C ATOM 572 O ALA A 40 -16.030 3.884 13.424 1.00 0.00 O ATOM 573 CB ALA A 40 -19.075 3.103 13.434 1.00 0.00 C ATOM 0 H ALA A 40 -18.930 0.649 13.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.662 2.559 11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.925 4.175 13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.928 2.781 12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.266 2.887 14.485 1.00 0.00 H new ATOM 579 N ASN A 41 -16.220 2.098 14.777 1.00 0.00 N ATOM 580 CA ASN A 41 -15.068 2.458 15.596 1.00 0.00 C ATOM 581 C ASN A 41 -13.892 1.525 15.320 1.00 0.00 C ATOM 582 O ASN A 41 -13.179 1.120 16.239 1.00 0.00 O ATOM 583 CB ASN A 41 -15.435 2.410 17.080 1.00 0.00 C ATOM 584 CG ASN A 41 -14.593 3.355 17.915 1.00 0.00 C ATOM 585 OD1 ASN A 41 -13.699 4.027 17.400 1.00 0.00 O ATOM 586 ND2 ASN A 41 -14.876 3.411 19.211 1.00 0.00 N ATOM 0 H ASN A 41 -16.686 1.236 15.061 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.772 3.474 15.336 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.488 2.664 17.199 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.309 1.392 17.450 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.343 4.029 19.823 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.626 2.836 19.595 1.00 0.00 H new ATOM 593 N TYR A 42 -13.696 1.188 14.050 1.00 0.00 N ATOM 594 CA TYR A 42 -12.609 0.302 13.654 1.00 0.00 C ATOM 595 C TYR A 42 -11.341 1.096 13.352 1.00 0.00 C ATOM 596 O TYR A 42 -11.389 2.134 12.694 1.00 0.00 O ATOM 597 CB TYR A 42 -13.013 -0.520 12.429 1.00 0.00 C ATOM 598 CG TYR A 42 -11.922 -1.440 11.929 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.922 -0.970 11.087 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.891 -2.779 12.299 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.924 -1.806 10.627 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.896 -3.622 11.846 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.914 -3.131 11.010 1.00 0.00 C ATOM 604 OH TYR A 42 -8.922 -3.969 10.555 1.00 0.00 O ATOM 0 H TYR A 42 -14.276 1.515 13.277 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.404 -0.373 14.485 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.893 -1.114 12.675 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.301 0.158 11.626 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.925 0.067 10.787 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.659 -3.167 12.952 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.156 -1.425 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.886 -4.660 12.144 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.121 -4.889 10.826 1.00 0.00 H new ATOM 614 N GLU A 43 -10.209 0.597 13.837 1.00 0.00 N ATOM 615 CA GLU A 43 -8.928 1.260 13.620 1.00 0.00 C ATOM 616 C GLU A 43 -7.799 0.502 14.312 1.00 0.00 C ATOM 617 O GLU A 43 -8.018 -0.279 15.239 1.00 0.00 O ATOM 618 CB GLU A 43 -8.980 2.700 14.133 1.00 0.00 C ATOM 619 CG GLU A 43 -9.830 2.871 15.380 1.00 0.00 C ATOM 620 CD GLU A 43 -9.575 4.190 16.084 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.879 5.048 15.503 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.072 4.363 17.217 1.00 0.00 O ATOM 0 H GLU A 43 -10.152 -0.263 14.382 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.731 1.271 12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.966 3.038 14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.372 3.344 13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.884 2.806 15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.627 2.051 16.069 1.00 0.00 H new ATOM 629 N PRO A 44 -6.561 0.736 13.852 1.00 0.00 N ATOM 630 CA PRO A 44 -6.288 1.662 12.749 1.00 0.00 C ATOM 631 C PRO A 44 -6.791 1.134 11.410 1.00 0.00 C ATOM 632 O PRO A 44 -7.311 0.021 11.326 1.00 0.00 O ATOM 633 CB PRO A 44 -4.761 1.766 12.743 1.00 0.00 C ATOM 634 CG PRO A 44 -4.292 0.492 13.355 1.00 0.00 C ATOM 635 CD PRO A 44 -5.332 0.113 14.373 1.00 0.00 C ATOM 0 HA PRO A 44 -6.794 2.618 12.885 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.376 1.884 11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.421 2.629 13.315 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.183 -0.287 12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.316 0.620 13.823 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.435 -0.969 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.080 0.489 15.365 1.00 0.00 H new ATOM 643 N VAL A 45 -6.633 1.939 10.365 1.00 0.00 N ATOM 644 CA VAL A 45 -7.070 1.552 9.029 1.00 0.00 C ATOM 645 C VAL A 45 -5.913 1.595 8.038 1.00 0.00 C ATOM 646 O VAL A 45 -5.016 2.432 8.149 1.00 0.00 O ATOM 647 CB VAL A 45 -8.201 2.467 8.521 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.486 2.205 9.290 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.793 3.928 8.630 1.00 0.00 C ATOM 0 H VAL A 45 -6.205 2.864 10.418 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.444 0.531 9.102 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.383 2.242 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.273 2.860 8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.785 1.166 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.322 2.401 10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.603 4.560 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.583 4.170 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.900 4.102 8.030 1.00 0.00 H new ATOM 659 N HIS A 46 -5.938 0.687 7.067 1.00 0.00 N ATOM 660 CA HIS A 46 -4.890 0.622 6.054 1.00 0.00 C ATOM 661 C HIS A 46 -5.404 1.123 4.708 1.00 0.00 C ATOM 662 O HIS A 46 -6.587 0.990 4.395 1.00 0.00 O ATOM 663 CB HIS A 46 -4.375 -0.811 5.915 1.00 0.00 C ATOM 664 CG HIS A 46 -3.876 -1.396 7.200 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.123 -0.683 8.109 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.028 -2.633 7.728 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.831 -1.457 9.139 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.369 -2.645 8.933 1.00 0.00 N ATOM 0 H HIS A 46 -6.672 -0.013 6.960 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.070 1.266 6.372 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.176 -1.440 5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.570 -0.829 5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.567 -3.457 7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.251 -1.167 10.003 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.306 -3.442 9.566 1.00 0.00 H new ATOM 676 N TRP A 47 -4.508 1.700 3.916 1.00 0.00 N ATOM 677 CA TRP A 47 -4.871 2.223 2.604 1.00 0.00 C ATOM 678 C TRP A 47 -3.778 1.934 1.581 1.00 0.00 C ATOM 679 O TRP A 47 -2.613 2.271 1.791 1.00 0.00 O ATOM 680 CB TRP A 47 -5.126 3.729 2.684 1.00 0.00 C ATOM 681 CG TRP A 47 -6.405 4.078 3.383 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.651 4.008 4.725 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.612 4.551 2.776 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.939 4.408 4.988 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.549 4.747 3.810 1.00 0.00 C ATOM 686 CE3 TRP A 47 -7.993 4.829 1.461 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.841 5.207 3.566 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.275 5.285 1.220 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.186 5.471 2.268 1.00 0.00 C ATOM 0 H TRP A 47 -3.524 1.818 4.159 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.785 1.724 2.283 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.294 4.204 3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.148 4.141 1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.938 3.686 5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.371 4.446 5.911 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.297 4.690 0.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.545 5.350 4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.580 5.502 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.180 5.830 2.047 1.00 0.00 H new ATOM 700 N PHE A 48 -4.161 1.307 0.473 1.00 0.00 N ATOM 701 CA PHE A 48 -3.212 0.972 -0.582 1.00 0.00 C ATOM 702 C PHE A 48 -3.686 1.509 -1.930 1.00 0.00 C ATOM 703 O PHE A 48 -4.858 1.848 -2.099 1.00 0.00 O ATOM 704 CB PHE A 48 -3.022 -0.544 -0.664 1.00 0.00 C ATOM 705 CG PHE A 48 -2.522 -1.155 0.614 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.397 -1.437 1.651 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.178 -1.447 0.778 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.939 -1.998 2.828 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.715 -2.009 1.953 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.597 -2.285 2.979 1.00 0.00 C ATOM 0 H PHE A 48 -5.121 1.021 0.283 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.257 1.439 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.972 -1.007 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.319 -0.771 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.448 -1.216 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.484 -1.233 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.631 -2.212 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.335 -2.232 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.238 -2.725 3.898 1.00 0.00 H new ATOM 720 N LEU A 49 -2.766 1.585 -2.886 1.00 0.00 N ATOM 721 CA LEU A 49 -3.088 2.082 -4.219 1.00 0.00 C ATOM 722 C LEU A 49 -2.398 1.246 -5.293 1.00 0.00 C ATOM 723 O LEU A 49 -1.199 1.391 -5.530 1.00 0.00 O ATOM 724 CB LEU A 49 -2.673 3.548 -4.353 1.00 0.00 C ATOM 725 CG LEU A 49 -3.008 4.222 -5.684 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.906 3.973 -6.701 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.346 3.723 -6.212 1.00 0.00 C ATOM 0 H LEU A 49 -1.792 1.309 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.166 2.002 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.149 4.114 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.597 3.616 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.083 5.296 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.162 4.460 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.966 4.379 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.798 2.901 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.569 4.213 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.298 2.645 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.130 3.954 -5.491 1.00 0.00 H new ATOM 739 N ASP A 50 -3.163 0.374 -5.939 1.00 0.00 N ATOM 740 CA ASP A 50 -2.626 -0.483 -6.990 1.00 0.00 C ATOM 741 C ASP A 50 -1.643 -1.497 -6.415 1.00 0.00 C ATOM 742 O ASP A 50 -1.981 -2.665 -6.220 1.00 0.00 O ATOM 743 CB ASP A 50 -1.938 0.361 -8.063 1.00 0.00 C ATOM 744 CG ASP A 50 -2.726 0.407 -9.358 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.972 0.372 -9.294 1.00 0.00 O ATOM 746 OD2 ASP A 50 -2.096 0.477 -10.434 1.00 0.00 O ATOM 0 H ASP A 50 -4.157 0.241 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.456 -1.025 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.799 1.376 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.946 -0.045 -8.259 1.00 0.00 H new ATOM 751 N LYS A 51 -0.423 -1.044 -6.146 1.00 0.00 N ATOM 752 CA LYS A 51 0.611 -1.911 -5.593 1.00 0.00 C ATOM 753 C LYS A 51 1.583 -1.115 -4.728 1.00 0.00 C ATOM 754 O LYS A 51 2.793 -1.342 -4.765 1.00 0.00 O ATOM 755 CB LYS A 51 1.372 -2.615 -6.719 1.00 0.00 C ATOM 756 CG LYS A 51 0.491 -3.491 -7.593 1.00 0.00 C ATOM 757 CD LYS A 51 1.278 -4.103 -8.740 1.00 0.00 C ATOM 758 CE LYS A 51 0.374 -4.889 -9.678 1.00 0.00 C ATOM 759 NZ LYS A 51 0.916 -4.929 -11.065 1.00 0.00 N ATOM 0 H LYS A 51 -0.126 -0.081 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 51 0.125 -2.660 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.857 -1.864 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.162 -3.227 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.051 -4.284 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.333 -2.898 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.785 -3.315 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.051 -4.760 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.258 -5.906 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.618 -4.438 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.272 -5.473 -11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.003 -3.960 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.852 -5.382 -11.059 1.00 0.00 H new ATOM 773 N THR A 52 1.046 -0.182 -3.948 1.00 0.00 N ATOM 774 CA THR A 52 1.866 0.648 -3.074 1.00 0.00 C ATOM 775 C THR A 52 1.086 1.082 -1.838 1.00 0.00 C ATOM 776 O THR A 52 -0.038 1.577 -1.926 1.00 0.00 O ATOM 777 CB THR A 52 2.382 1.900 -3.808 1.00 0.00 C ATOM 778 OG1 THR A 52 3.029 1.521 -5.028 1.00 0.00 O ATOM 779 CG2 THR A 52 3.352 2.679 -2.933 1.00 0.00 C ATOM 0 H THR A 52 0.047 0.018 -3.904 1.00 0.00 H new ATOM 0 HA THR A 52 2.717 0.040 -2.768 1.00 0.00 H new ATOM 0 HB THR A 52 1.529 2.539 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.353 2.323 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.703 3.559 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.847 2.992 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.202 2.046 -2.679 1.00 0.00 H new ATOM 787 N PRO A 53 1.695 0.895 -0.657 1.00 0.00 N ATOM 788 CA PRO A 53 1.075 1.263 0.619 1.00 0.00 C ATOM 789 C PRO A 53 0.973 2.774 0.800 1.00 0.00 C ATOM 790 O PRO A 53 1.802 3.528 0.291 1.00 0.00 O ATOM 791 CB PRO A 53 2.024 0.663 1.660 1.00 0.00 C ATOM 792 CG PRO A 53 3.341 0.582 0.969 1.00 0.00 C ATOM 793 CD PRO A 53 3.035 0.311 -0.478 1.00 0.00 C ATOM 0 HA PRO A 53 0.051 0.898 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.082 1.289 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.685 -0.321 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.899 1.512 1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.956 -0.212 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.768 0.776 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.041 -0.757 -0.697 1.00 0.00 H new ATOM 801 N LEU A 54 -0.049 3.209 1.529 1.00 0.00 N ATOM 802 CA LEU A 54 -0.260 4.631 1.778 1.00 0.00 C ATOM 803 C LEU A 54 -0.403 4.907 3.271 1.00 0.00 C ATOM 804 O LEU A 54 -1.119 4.198 3.979 1.00 0.00 O ATOM 805 CB LEU A 54 -1.505 5.120 1.036 1.00 0.00 C ATOM 806 CG LEU A 54 -1.449 5.045 -0.491 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.845 4.862 -1.067 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.793 6.294 -1.062 1.00 0.00 C ATOM 0 H LEU A 54 -0.744 2.598 1.958 1.00 0.00 H new ATOM 0 HA LEU A 54 0.611 5.172 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.360 4.536 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.691 6.155 1.322 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.846 4.182 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.786 4.811 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.279 3.939 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.472 5.705 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.761 6.224 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.369 7.173 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.222 6.381 -0.675 1.00 0.00 H new ATOM 820 N HIS A 55 0.281 5.944 3.744 1.00 0.00 N ATOM 821 CA HIS A 55 0.228 6.316 5.153 1.00 0.00 C ATOM 822 C HIS A 55 0.124 7.830 5.312 1.00 0.00 C ATOM 823 O HIS A 55 0.705 8.587 4.535 1.00 0.00 O ATOM 824 CB HIS A 55 1.466 5.799 5.886 1.00 0.00 C ATOM 825 CG HIS A 55 1.787 4.368 5.582 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.036 3.311 6.053 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.785 3.821 4.848 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.559 2.177 5.623 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.621 2.458 4.890 1.00 0.00 N ATOM 0 H HIS A 55 0.878 6.541 3.172 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.661 5.860 5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.322 6.419 5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.315 5.909 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.565 4.357 4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.182 1.187 5.835 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.222 1.774 4.430 1.00 0.00 H new ATOM 837 N ALA A 56 -0.620 8.265 6.324 1.00 0.00 N ATOM 838 CA ALA A 56 -0.799 9.688 6.585 1.00 0.00 C ATOM 839 C ALA A 56 0.545 10.406 6.654 1.00 0.00 C ATOM 840 O ALA A 56 1.482 9.929 7.291 1.00 0.00 O ATOM 841 CB ALA A 56 -1.576 9.894 7.876 1.00 0.00 C ATOM 0 H ALA A 56 -1.109 7.652 6.977 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.368 10.115 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.702 10.961 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.555 9.422 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.029 9.446 8.706 1.00 0.00 H new ATOM 847 N ASN A 57 0.630 11.555 5.991 1.00 0.00 N ATOM 848 CA ASN A 57 1.860 12.339 5.976 1.00 0.00 C ATOM 849 C ASN A 57 1.573 13.794 5.619 1.00 0.00 C ATOM 850 O ASN A 57 0.418 14.216 5.573 1.00 0.00 O ATOM 851 CB ASN A 57 2.856 11.744 4.979 1.00 0.00 C ATOM 852 CG ASN A 57 4.287 11.823 5.475 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.534 11.971 6.672 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.239 11.726 4.553 1.00 0.00 N ATOM 0 H ASN A 57 -0.137 11.964 5.458 1.00 0.00 H new ATOM 0 HA ASN A 57 2.294 12.308 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.597 10.702 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.774 12.272 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.221 11.774 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.988 11.604 3.572 1.00 0.00 H new ATOM 861 N GLU A 58 2.633 14.556 5.367 1.00 0.00 N ATOM 862 CA GLU A 58 2.495 15.964 5.014 1.00 0.00 C ATOM 863 C GLU A 58 1.550 16.137 3.829 1.00 0.00 C ATOM 864 O GLU A 58 0.906 17.177 3.681 1.00 0.00 O ATOM 865 CB GLU A 58 3.862 16.566 4.683 1.00 0.00 C ATOM 866 CG GLU A 58 3.786 17.974 4.117 1.00 0.00 C ATOM 867 CD GLU A 58 4.782 18.917 4.763 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.579 19.278 5.941 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.765 19.294 4.090 1.00 0.00 O ATOM 0 H GLU A 58 3.596 14.222 5.401 1.00 0.00 H new ATOM 0 HA GLU A 58 2.074 16.488 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.472 16.579 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.369 15.922 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.968 17.940 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.778 18.364 4.258 1.00 0.00 H new ATOM 876 N LEU A 59 1.472 15.113 2.987 1.00 0.00 N ATOM 877 CA LEU A 59 0.606 15.151 1.814 1.00 0.00 C ATOM 878 C LEU A 59 -0.586 14.215 1.986 1.00 0.00 C ATOM 879 O LEU A 59 -1.715 14.563 1.644 1.00 0.00 O ATOM 880 CB LEU A 59 1.395 14.765 0.561 1.00 0.00 C ATOM 881 CG LEU A 59 2.797 15.363 0.439 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.578 14.671 -0.666 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.717 16.861 0.181 1.00 0.00 C ATOM 0 H LEU A 59 1.998 14.246 3.095 1.00 0.00 H new ATOM 0 HA LEU A 59 0.232 16.169 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.481 13.679 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.817 15.063 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 59 3.322 15.204 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.573 15.110 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.666 13.608 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.056 14.798 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.724 17.270 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.173 17.042 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.197 17.345 1.007 1.00 0.00 H new ATOM 895 N ASN A 60 -0.326 13.027 2.522 1.00 0.00 N ATOM 896 CA ASN A 60 -1.379 12.041 2.742 1.00 0.00 C ATOM 897 C ASN A 60 -2.222 12.408 3.959 1.00 0.00 C ATOM 898 O ASN A 60 -1.690 12.690 5.033 1.00 0.00 O ATOM 899 CB ASN A 60 -0.771 10.649 2.930 1.00 0.00 C ATOM 900 CG ASN A 60 0.277 10.330 1.881 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.376 10.884 1.898 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.060 9.432 0.962 1.00 0.00 N ATOM 0 H ASN A 60 0.604 12.723 2.812 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.025 12.033 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.322 10.582 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.563 9.901 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.604 9.176 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.983 8.998 0.987 1.00 0.00 H new ATOM 909 N GLU A 61 -3.540 12.402 3.783 1.00 0.00 N ATOM 910 CA GLU A 61 -4.456 12.735 4.867 1.00 0.00 C ATOM 911 C GLU A 61 -5.505 11.642 5.048 1.00 0.00 C ATOM 912 O GLU A 61 -6.140 11.211 4.085 1.00 0.00 O ATOM 913 CB GLU A 61 -5.143 14.075 4.591 1.00 0.00 C ATOM 914 CG GLU A 61 -5.281 14.953 5.824 1.00 0.00 C ATOM 915 CD GLU A 61 -6.573 14.701 6.577 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.287 13.739 6.225 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.869 15.466 7.519 1.00 0.00 O ATOM 0 H GLU A 61 -3.996 12.170 2.901 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.876 12.814 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.576 14.615 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.133 13.887 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.436 14.774 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.236 16.001 5.526 1.00 0.00 H new ATOM 924 N ILE A 62 -5.680 11.198 6.288 1.00 0.00 N ATOM 925 CA ILE A 62 -6.652 10.155 6.596 1.00 0.00 C ATOM 926 C ILE A 62 -7.509 10.540 7.797 1.00 0.00 C ATOM 927 O ILE A 62 -7.084 10.404 8.944 1.00 0.00 O ATOM 928 CB ILE A 62 -5.961 8.809 6.882 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.158 8.354 5.661 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.990 7.757 7.267 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.779 7.834 6.005 1.00 0.00 C ATOM 0 H ILE A 62 -5.162 11.544 7.096 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.289 10.047 5.718 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.274 8.940 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.713 7.573 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.060 9.190 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.486 6.811 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.523 8.080 8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.699 7.625 6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.267 7.529 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.206 8.620 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.869 6.978 6.673 1.00 0.00 H new ATOM 943 N ASP A 63 -8.718 11.018 7.525 1.00 0.00 N ATOM 944 CA ASP A 63 -9.637 11.420 8.584 1.00 0.00 C ATOM 945 C ASP A 63 -10.442 10.226 9.086 1.00 0.00 C ATOM 946 O ASP A 63 -10.233 9.095 8.648 1.00 0.00 O ATOM 947 CB ASP A 63 -10.581 12.513 8.081 1.00 0.00 C ATOM 948 CG ASP A 63 -10.847 13.576 9.129 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.913 14.343 9.446 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.987 13.641 9.632 1.00 0.00 O ATOM 0 H ASP A 63 -9.085 11.137 6.581 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.049 11.813 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.152 12.980 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.526 12.062 7.778 1.00 0.00 H new ATOM 955 N ALA A 64 -11.363 10.485 10.009 1.00 0.00 N ATOM 956 CA ALA A 64 -12.200 9.432 10.570 1.00 0.00 C ATOM 957 C ALA A 64 -13.589 9.959 10.913 1.00 0.00 C ATOM 958 O ALA A 64 -13.971 10.012 12.082 1.00 0.00 O ATOM 959 CB ALA A 64 -11.540 8.834 11.804 1.00 0.00 C ATOM 0 H ALA A 64 -11.548 11.415 10.384 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.312 8.651 9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.176 8.049 12.213 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.573 8.412 11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.398 9.612 12.554 1.00 0.00 H new ATOM 965 N GLN A 65 -14.339 10.349 9.888 1.00 0.00 N ATOM 966 CA GLN A 65 -15.686 10.874 10.083 1.00 0.00 C ATOM 967 C GLN A 65 -16.525 9.919 10.925 1.00 0.00 C ATOM 968 O GLN A 65 -16.215 8.735 11.061 1.00 0.00 O ATOM 969 CB GLN A 65 -16.364 11.112 8.732 1.00 0.00 C ATOM 970 CG GLN A 65 -16.118 12.500 8.164 1.00 0.00 C ATOM 971 CD GLN A 65 -16.668 12.662 6.761 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.672 12.047 6.400 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.012 13.494 5.960 1.00 0.00 N ATOM 0 H GLN A 65 -14.038 10.312 8.914 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.606 11.823 10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.007 10.368 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.438 10.958 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.576 13.242 8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.047 12.700 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.184 13.983 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.336 13.644 5.004 1.00 0.00 H new ATOM 982 N PRO A 66 -17.614 10.444 11.507 1.00 0.00 N ATOM 983 CA PRO A 66 -18.521 9.656 12.346 1.00 0.00 C ATOM 984 C PRO A 66 -19.321 8.639 11.540 1.00 0.00 C ATOM 985 O PRO A 66 -19.823 8.946 10.459 1.00 0.00 O ATOM 986 CB PRO A 66 -19.451 10.710 12.951 1.00 0.00 C ATOM 987 CG PRO A 66 -19.427 11.839 11.979 1.00 0.00 C ATOM 988 CD PRO A 66 -18.044 11.847 11.389 1.00 0.00 C ATOM 0 HA PRO A 66 -17.981 9.068 13.088 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.461 10.320 13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.104 11.027 13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.181 11.703 11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.646 12.785 12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.052 12.179 10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.379 12.518 11.933 1.00 0.00 H new ATOM 996 N GLY A 67 -19.438 7.426 12.072 1.00 0.00 N ATOM 997 CA GLY A 67 -20.179 6.383 11.388 1.00 0.00 C ATOM 998 C GLY A 67 -19.277 5.445 10.611 1.00 0.00 C ATOM 999 O GLY A 67 -19.733 4.727 9.723 1.00 0.00 O ATOM 0 H GLY A 67 -19.032 7.147 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.751 5.810 12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.897 6.839 10.706 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.990 5.452 10.946 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.041 4.592 10.262 1.00 0.00 C ATOM 1005 C GLY A 68 -16.674 5.112 8.887 1.00 0.00 C ATOM 1006 O GLY A 68 -16.266 4.346 8.014 1.00 0.00 O ATOM 0 H GLY A 68 -17.588 6.037 11.678 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.138 4.501 10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.464 3.592 10.168 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.820 6.418 8.691 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.505 7.039 7.410 1.00 0.00 C ATOM 1012 C TYR A 69 -15.038 7.453 7.352 1.00 0.00 C ATOM 1013 O TYR A 69 -14.660 8.515 7.847 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.400 8.258 7.177 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.699 7.930 6.477 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.781 7.418 7.183 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.845 8.131 5.110 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.970 7.116 6.547 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.031 7.833 4.467 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.090 7.326 5.190 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.272 7.027 4.552 1.00 0.00 O ATOM 0 H TYR A 69 -17.155 7.067 9.403 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.688 6.306 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.622 8.724 8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.853 8.992 6.585 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.691 7.253 8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.017 8.527 4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.801 6.718 7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.128 7.996 3.404 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.082 6.691 3.651 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.215 6.605 6.743 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.788 6.882 6.617 1.00 0.00 C ATOM 1033 C HIS A 70 -12.498 7.671 5.344 1.00 0.00 C ATOM 1034 O HIS A 70 -12.556 7.130 4.239 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.992 5.577 6.615 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.049 4.839 7.918 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.437 5.292 9.067 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.652 3.673 8.249 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.659 4.437 10.049 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.395 3.445 9.579 1.00 0.00 N ATOM 0 H HIS A 70 -14.511 5.721 6.329 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.483 7.483 7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.372 4.931 5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.951 5.796 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.228 3.040 7.590 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.300 4.532 11.063 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.719 2.641 10.116 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.184 8.952 5.505 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.884 9.815 4.369 1.00 0.00 C ATOM 1050 C VAL A 71 -10.383 9.884 4.112 1.00 0.00 C ATOM 1051 O VAL A 71 -9.589 10.034 5.042 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.422 11.242 4.590 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.275 12.070 3.323 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.873 11.199 5.044 1.00 0.00 C ATOM 0 H VAL A 71 -12.131 9.416 6.412 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.379 9.378 3.501 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.834 11.717 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.660 13.075 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.222 12.128 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.837 11.602 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.237 12.215 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.478 10.706 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.945 10.645 5.980 1.00 0.00 H new ATOM 1064 N LEU A 72 -10.000 9.773 2.845 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.592 9.823 2.465 1.00 0.00 C ATOM 1066 C LEU A 72 -8.338 10.948 1.467 1.00 0.00 C ATOM 1067 O LEU A 72 -8.770 10.881 0.315 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.158 8.484 1.864 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.715 8.409 1.366 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.788 7.958 2.484 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.610 7.470 0.173 1.00 0.00 C ATOM 0 H LEU A 72 -10.644 9.648 2.064 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.005 10.019 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.303 7.707 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.821 8.250 1.031 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.409 9.405 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.765 7.910 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.841 8.668 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.093 6.972 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.576 7.429 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.935 6.472 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.244 7.836 -0.635 1.00 0.00 H new ATOM 1083 N THR A 73 -7.630 11.980 1.914 1.00 0.00 N ATOM 1084 CA THR A 73 -7.317 13.119 1.061 1.00 0.00 C ATOM 1085 C THR A 73 -5.863 13.081 0.605 1.00 0.00 C ATOM 1086 O THR A 73 -4.978 13.618 1.272 1.00 0.00 O ATOM 1087 CB THR A 73 -7.581 14.453 1.785 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.776 14.358 2.567 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.711 15.594 0.787 1.00 0.00 C ATOM 0 H THR A 73 -7.262 12.050 2.863 1.00 0.00 H new ATOM 0 HA THR A 73 -7.970 13.051 0.191 1.00 0.00 H new ATOM 0 HB THR A 73 -6.734 14.659 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.936 15.209 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.897 16.526 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.788 15.683 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.541 15.392 0.110 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.622 12.444 -0.536 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.274 12.336 -1.082 1.00 0.00 C ATOM 1099 C LEU A 74 -3.864 13.629 -1.779 1.00 0.00 C ATOM 1100 O LEU A 74 -4.180 13.842 -2.950 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.193 11.166 -2.064 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.956 9.787 -1.447 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.321 8.690 -2.436 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.509 9.644 -0.999 1.00 0.00 C ATOM 0 H LEU A 74 -6.343 11.995 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.587 12.157 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.121 11.132 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.390 11.368 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.597 9.687 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.146 7.716 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.373 8.780 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.706 8.787 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.359 8.657 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.849 9.765 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.281 10.408 -0.255 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.156 14.488 -1.053 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.701 15.759 -1.602 1.00 0.00 C ATOM 1118 C ARG A 75 -1.430 15.573 -2.424 1.00 0.00 C ATOM 1119 O ARG A 75 -0.667 14.634 -2.200 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.451 16.765 -0.476 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.602 16.874 0.510 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.307 17.892 1.601 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.528 18.461 2.164 1.00 0.00 N ATOM 1124 CZ ARG A 75 -5.237 19.413 1.568 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -4.849 19.899 0.397 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -6.338 19.880 2.143 1.00 0.00 N ATOM 0 H ARG A 75 -2.885 14.326 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.483 16.144 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.548 16.477 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.263 17.746 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.511 17.160 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.789 15.900 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.730 17.416 2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.689 18.692 1.193 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.854 18.108 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.004 19.542 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.396 20.630 -0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.640 19.508 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.882 20.611 1.685 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.209 16.474 -3.376 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.031 16.407 -4.232 1.00 0.00 C ATOM 1142 C GLN A 76 0.100 15.029 -4.872 1.00 0.00 C ATOM 1143 O GLN A 76 1.089 14.326 -4.660 1.00 0.00 O ATOM 1144 CB GLN A 76 1.229 16.731 -3.427 1.00 0.00 C ATOM 1145 CG GLN A 76 1.191 18.096 -2.760 1.00 0.00 C ATOM 1146 CD GLN A 76 2.381 18.959 -3.127 1.00 0.00 C ATOM 1147 OE1 GLN A 76 2.235 20.144 -3.428 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.571 18.369 -3.104 1.00 0.00 N ATOM 0 H GLN A 76 -1.830 17.259 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.147 17.146 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.368 15.966 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.095 16.683 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.273 18.610 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.161 17.967 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.647 17.384 -2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.408 18.901 -3.342 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.903 14.649 -5.656 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.900 13.354 -6.327 1.00 0.00 C ATOM 1159 C LEU A 77 -0.057 13.400 -7.597 1.00 0.00 C ATOM 1160 O LEU A 77 0.493 14.443 -7.951 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.331 12.930 -6.666 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.128 12.288 -5.530 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.617 12.330 -5.833 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.669 10.855 -5.300 1.00 0.00 C ATOM 0 H LEU A 77 -1.728 15.219 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.461 12.622 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.876 13.808 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.293 12.227 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.947 12.857 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.168 11.869 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.936 13.366 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.816 11.785 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.247 10.414 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.820 10.274 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.611 10.850 -5.037 1.00 0.00 H new ATOM 1176 N ALA A 78 0.038 12.264 -8.280 1.00 0.00 N ATOM 1177 CA ALA A 78 0.811 12.176 -9.513 1.00 0.00 C ATOM 1178 C ALA A 78 0.122 11.272 -10.529 1.00 0.00 C ATOM 1179 O ALA A 78 -0.698 10.427 -10.168 1.00 0.00 O ATOM 1180 CB ALA A 78 2.216 11.672 -9.221 1.00 0.00 C ATOM 0 H ALA A 78 -0.411 11.392 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 78 0.879 13.176 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.781 11.611 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.714 12.359 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.161 10.683 -8.765 1.00 0.00 H new ATOM 1186 N LEU A 79 0.460 11.454 -11.801 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.127 10.654 -12.871 1.00 0.00 C ATOM 1188 C LEU A 79 0.113 9.166 -12.632 1.00 0.00 C ATOM 1189 O LEU A 79 -0.587 8.317 -13.185 1.00 0.00 O ATOM 1190 CB LEU A 79 0.459 11.066 -14.222 1.00 0.00 C ATOM 1191 CG LEU A 79 0.012 12.425 -14.761 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.879 12.845 -15.937 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.455 12.383 -15.166 1.00 0.00 C ATOM 0 H LEU A 79 1.137 12.148 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.202 10.834 -12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.546 11.071 -14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.199 10.303 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 79 0.128 13.164 -13.968 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.546 13.815 -16.307 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.918 12.917 -15.616 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.796 12.105 -16.733 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.755 13.359 -15.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.597 11.631 -15.942 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.065 12.129 -14.299 1.00 0.00 H new ATOM 1205 N LYS A 80 1.104 8.857 -11.803 1.00 0.00 N ATOM 1206 CA LYS A 80 1.435 7.473 -11.487 1.00 0.00 C ATOM 1207 C LYS A 80 0.470 6.906 -10.450 1.00 0.00 C ATOM 1208 O LYS A 80 0.271 5.694 -10.371 1.00 0.00 O ATOM 1209 CB LYS A 80 2.872 7.375 -10.970 1.00 0.00 C ATOM 1210 CG LYS A 80 3.054 7.938 -9.571 1.00 0.00 C ATOM 1211 CD LYS A 80 4.309 8.790 -9.472 1.00 0.00 C ATOM 1212 CE LYS A 80 4.763 8.948 -8.029 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.309 10.239 -7.443 1.00 0.00 N ATOM 0 H LYS A 80 1.693 9.548 -11.337 1.00 0.00 H new ATOM 0 HA LYS A 80 1.344 6.886 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.181 6.330 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.533 7.906 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.184 8.537 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.111 7.120 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.107 8.334 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.118 9.772 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.374 8.122 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.850 8.890 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.872 10.453 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.432 11.000 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.305 10.168 -7.182 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.125 7.791 -9.657 1.00 0.00 N ATOM 1228 CA ASP A 81 -1.070 7.379 -8.626 1.00 0.00 C ATOM 1229 C ASP A 81 -2.344 6.816 -9.250 1.00 0.00 C ATOM 1230 O ASP A 81 -3.101 6.098 -8.598 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.412 8.560 -7.716 1.00 0.00 C ATOM 1232 CG ASP A 81 -2.740 9.199 -8.071 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -3.789 8.597 -7.764 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.729 10.302 -8.657 1.00 0.00 O ATOM 0 H ASP A 81 0.031 8.798 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.601 6.595 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.441 8.221 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.622 9.308 -7.784 1.00 0.00 H new ATOM 1239 N SER A 82 -2.573 7.149 -10.516 1.00 0.00 N ATOM 1240 CA SER A 82 -3.758 6.682 -11.227 1.00 0.00 C ATOM 1241 C SER A 82 -3.838 5.158 -11.205 1.00 0.00 C ATOM 1242 O SER A 82 -3.092 4.476 -11.907 1.00 0.00 O ATOM 1243 CB SER A 82 -3.742 7.183 -12.672 1.00 0.00 C ATOM 1244 OG SER A 82 -2.609 6.694 -13.369 1.00 0.00 O ATOM 0 H SER A 82 -1.954 7.740 -11.071 1.00 0.00 H new ATOM 0 HA SER A 82 -4.637 7.082 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.652 6.864 -13.181 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.737 8.273 -12.682 1.00 0.00 H new ATOM 0 HG SER A 82 -1.797 7.101 -13.000 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.750 4.631 -10.394 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.912 3.192 -10.295 1.00 0.00 C ATOM 1252 C GLY A 83 -6.225 2.800 -9.649 1.00 0.00 C ATOM 1253 O GLY A 83 -7.294 2.992 -10.230 1.00 0.00 O ATOM 0 H GLY A 83 -5.380 5.175 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.856 2.754 -11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.087 2.776 -9.717 1.00 0.00 H new ATOM 1257 N THR A 84 -6.148 2.245 -8.443 1.00 0.00 N ATOM 1258 CA THR A 84 -7.340 1.822 -7.719 1.00 0.00 C ATOM 1259 C THR A 84 -7.057 1.688 -6.227 1.00 0.00 C ATOM 1260 O THR A 84 -6.219 0.886 -5.813 1.00 0.00 O ATOM 1261 CB THR A 84 -7.873 0.478 -8.251 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.053 0.550 -9.670 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.192 0.117 -7.585 1.00 0.00 C ATOM 0 H THR A 84 -5.272 2.078 -7.947 1.00 0.00 H new ATOM 0 HA THR A 84 -8.096 2.592 -7.876 1.00 0.00 H new ATOM 0 HB THR A 84 -7.142 -0.296 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.172 1.485 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.549 -0.836 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.045 0.034 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.929 0.893 -7.792 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.762 2.478 -5.423 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.587 2.445 -3.976 1.00 0.00 C ATOM 1273 C ILE A 85 -8.041 1.110 -3.398 1.00 0.00 C ATOM 1274 O ILE A 85 -9.199 0.719 -3.545 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.369 3.581 -3.290 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.911 4.940 -3.824 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.188 3.512 -1.781 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.483 5.282 -3.462 1.00 0.00 C ATOM 0 H ILE A 85 -8.459 3.148 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.523 2.578 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.428 3.461 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.014 4.948 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.571 5.715 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.746 4.321 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.557 2.554 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.130 3.611 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.227 6.258 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.379 5.307 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.813 4.528 -3.874 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.122 0.414 -2.738 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.427 -0.879 -2.137 1.00 0.00 C ATOM 1292 C TYR A 86 -7.460 -0.778 -0.615 1.00 0.00 C ATOM 1293 O TYR A 86 -6.478 -1.086 0.061 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.393 -1.921 -2.567 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.615 -2.452 -3.966 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.686 -3.290 -4.250 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.752 -2.116 -5.002 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.891 -3.778 -5.526 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.952 -2.598 -6.281 1.00 0.00 C ATOM 1300 CZ TYR A 86 -7.022 -3.428 -6.539 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.223 -3.911 -7.811 1.00 0.00 O ATOM 0 H TYR A 86 -6.159 0.724 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.413 -1.189 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.398 -1.479 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.414 -2.753 -1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.370 -3.564 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.911 -1.468 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.727 -4.430 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.273 -2.326 -7.075 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.523 -3.569 -8.405 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.597 -0.344 -0.082 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.761 -0.201 1.360 1.00 0.00 C ATOM 1313 C PHE A 87 -8.660 -1.556 2.055 1.00 0.00 C ATOM 1314 O PHE A 87 -9.008 -2.587 1.481 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.108 0.450 1.680 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.395 0.542 3.151 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.786 1.513 3.930 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.274 -0.343 3.756 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.048 1.599 5.284 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.540 -0.261 5.110 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.927 0.712 5.875 1.00 0.00 C ATOM 0 H PHE A 87 -9.419 -0.085 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.960 0.439 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.130 1.452 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.902 -0.121 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.099 2.210 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.757 -1.105 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.566 2.359 5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.226 -0.957 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.134 0.779 6.933 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.179 -1.543 3.295 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.031 -2.770 4.068 1.00 0.00 C ATOM 1333 C GLU A 88 -8.568 -2.589 5.485 1.00 0.00 C ATOM 1334 O GLU A 88 -8.291 -1.586 6.141 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.561 -3.193 4.118 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.197 -4.252 3.091 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.708 -4.537 3.050 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.071 -4.523 4.124 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.180 -4.774 1.943 1.00 0.00 O ATOM 0 H GLU A 88 -7.886 -0.697 3.784 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.610 -3.551 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.934 -2.316 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.335 -3.572 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.733 -5.173 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.528 -3.926 2.105 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.339 -3.568 5.949 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.914 -3.518 7.287 1.00 0.00 C ATOM 1348 C ALA A 89 -10.423 -4.890 7.717 1.00 0.00 C ATOM 1349 O ALA A 89 -11.535 -5.286 7.372 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.039 -2.495 7.340 1.00 0.00 C ATOM 0 H ALA A 89 -9.579 -4.405 5.418 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.130 -3.216 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.459 -2.468 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.648 -1.510 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.817 -2.773 6.629 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.600 -5.611 8.472 1.00 0.00 N ATOM 1357 CA GLY A 90 -9.985 -6.931 8.936 1.00 0.00 C ATOM 1358 C GLY A 90 -9.903 -7.977 7.842 1.00 0.00 C ATOM 1359 O GLY A 90 -8.815 -8.305 7.367 1.00 0.00 O ATOM 0 H GLY A 90 -8.674 -5.305 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.339 -7.224 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.003 -6.894 9.323 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.055 -8.504 7.442 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.109 -9.520 6.397 1.00 0.00 C ATOM 1365 C ASP A 91 -11.819 -8.986 5.156 1.00 0.00 C ATOM 1366 O ASP A 91 -12.315 -9.756 4.334 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.823 -10.772 6.909 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.034 -11.486 7.989 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.266 -10.812 8.707 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.187 -12.718 8.118 1.00 0.00 O ATOM 0 H ASP A 91 -11.964 -8.245 7.825 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.086 -9.780 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.801 -10.494 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.995 -11.455 6.077 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.865 -7.664 5.030 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.517 -7.028 3.891 1.00 0.00 C ATOM 1377 C GLN A 92 -11.521 -6.195 3.090 1.00 0.00 C ATOM 1378 O GLN A 92 -10.417 -5.913 3.555 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.673 -6.146 4.365 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.804 -6.925 5.018 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.567 -7.784 4.030 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.224 -7.273 3.123 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.485 -9.099 4.201 1.00 0.00 N ATOM 0 H GLN A 92 -11.459 -7.013 5.702 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.910 -7.813 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.292 -5.412 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.069 -5.591 3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.396 -7.559 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.493 -6.227 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.929 -9.480 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.978 -9.727 3.567 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.920 -5.804 1.884 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.062 -5.005 1.018 1.00 0.00 C ATOM 1394 C ARG A 93 -11.885 -4.278 -0.042 1.00 0.00 C ATOM 1395 O ARG A 93 -12.513 -4.907 -0.893 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.012 -5.891 0.345 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.819 -5.120 -0.194 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.841 -6.036 -0.913 1.00 0.00 C ATOM 1399 NE ARG A 93 -7.027 -6.809 0.021 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.001 -7.567 -0.350 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -5.665 -7.652 -1.630 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.309 -8.240 0.560 1.00 0.00 N ATOM 0 H ARG A 93 -12.832 -6.028 1.485 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.558 -4.261 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.660 -6.632 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.481 -6.437 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.164 -4.346 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.310 -4.615 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.392 -6.716 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.191 -5.440 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.259 -6.764 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.195 -7.135 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.877 -8.235 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.565 -8.176 1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.521 -8.822 0.274 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.877 -2.951 0.017 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.621 -2.139 -0.938 1.00 0.00 C ATOM 1418 C ALA A 94 -11.821 -1.927 -2.219 1.00 0.00 C ATOM 1419 O ALA A 94 -10.653 -2.304 -2.302 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.992 -0.800 -0.317 1.00 0.00 C ATOM 0 H ALA A 94 -11.363 -2.415 0.716 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.536 -2.673 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.547 -0.204 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.610 -0.967 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.085 -0.269 -0.029 1.00 0.00 H new ATOM 1426 N SER A 95 -12.459 -1.322 -3.216 1.00 0.00 N ATOM 1427 CA SER A 95 -11.808 -1.064 -4.495 1.00 0.00 C ATOM 1428 C SER A 95 -12.518 0.055 -5.250 1.00 0.00 C ATOM 1429 O SER A 95 -13.658 -0.100 -5.685 1.00 0.00 O ATOM 1430 CB SER A 95 -11.788 -2.335 -5.347 1.00 0.00 C ATOM 1431 OG SER A 95 -12.991 -3.069 -5.197 1.00 0.00 O ATOM 0 H SER A 95 -13.426 -1.001 -3.163 1.00 0.00 H new ATOM 0 HA SER A 95 -10.783 -0.752 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.647 -2.072 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.941 -2.957 -5.058 1.00 0.00 H new ATOM 0 HG SER A 95 -12.954 -3.875 -5.753 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.833 1.185 -5.402 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.396 2.331 -6.105 1.00 0.00 C ATOM 1439 C ALA A 96 -11.500 2.758 -7.262 1.00 0.00 C ATOM 1440 O ALA A 96 -10.275 2.765 -7.142 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.607 3.489 -5.142 1.00 0.00 C ATOM 0 H ALA A 96 -10.888 1.330 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.361 2.036 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.028 4.338 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.293 3.185 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.652 3.776 -4.703 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.119 3.115 -8.383 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.377 3.545 -9.562 1.00 0.00 C ATOM 1449 C ALA A 97 -10.710 4.897 -9.328 1.00 0.00 C ATOM 1450 O ALA A 97 -11.367 5.939 -9.363 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.298 3.611 -10.771 1.00 0.00 C ATOM 0 H ALA A 97 -13.132 3.115 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.594 2.811 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.730 3.933 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.723 2.625 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.101 4.322 -10.578 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.404 4.873 -9.088 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.648 6.097 -8.847 1.00 0.00 C ATOM 1459 C LEU A 98 -8.053 6.634 -10.145 1.00 0.00 C ATOM 1460 O LEU A 98 -6.935 6.280 -10.519 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.535 5.841 -7.829 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.463 6.926 -7.720 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.103 8.301 -7.618 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.560 6.665 -6.523 1.00 0.00 C ATOM 0 H LEU A 98 -8.846 4.020 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.333 6.845 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.991 5.709 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.047 4.900 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.853 6.899 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.324 9.060 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.706 8.488 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.738 8.342 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.803 7.447 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.156 6.664 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.073 5.697 -6.639 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.806 7.492 -10.825 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.352 8.078 -12.080 1.00 0.00 C ATOM 1478 C ARG A 99 -7.692 9.433 -11.840 1.00 0.00 C ATOM 1479 O ARG A 99 -8.243 10.290 -11.148 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.526 8.235 -13.049 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.120 6.913 -13.505 1.00 0.00 C ATOM 1482 CD ARG A 99 -10.751 7.031 -14.884 1.00 0.00 C ATOM 1483 NE ARG A 99 -9.800 6.722 -15.948 1.00 0.00 N ATOM 1484 CZ ARG A 99 -10.051 6.921 -17.238 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -11.215 7.429 -17.620 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -9.135 6.615 -18.148 1.00 0.00 N ATOM 0 H ARG A 99 -9.733 7.797 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.614 7.406 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.305 8.828 -12.569 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.192 8.794 -13.923 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.341 6.150 -13.524 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.871 6.584 -12.787 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.603 6.355 -14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.134 8.042 -15.022 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.894 6.332 -15.687 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.920 7.668 -16.923 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.405 7.581 -18.611 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.238 6.227 -17.858 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.328 6.768 -19.138 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.509 9.620 -12.417 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.774 10.870 -12.266 1.00 0.00 C ATOM 1502 C VAL A 100 -5.128 11.289 -13.581 1.00 0.00 C ATOM 1503 O VAL A 100 -4.177 10.660 -14.048 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.684 10.754 -11.185 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.869 12.036 -11.107 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.305 10.424 -9.836 1.00 0.00 C ATOM 0 H VAL A 100 -6.039 8.922 -12.993 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.497 11.627 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.011 9.941 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.104 11.934 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.393 12.224 -12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.525 12.870 -10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.520 10.346 -9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.001 11.213 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.839 9.476 -9.903 1.00 0.00 H new ATOM 1516 N THR A 101 -5.649 12.357 -14.177 1.00 0.00 N ATOM 1517 CA THR A 101 -5.124 12.861 -15.440 1.00 0.00 C ATOM 1518 C THR A 101 -4.147 14.009 -15.210 1.00 0.00 C ATOM 1519 O THR A 101 -3.983 14.480 -14.085 1.00 0.00 O ATOM 1520 CB THR A 101 -6.256 13.343 -16.367 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.791 14.581 -15.884 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.364 12.305 -16.453 1.00 0.00 C ATOM 0 H THR A 101 -6.435 12.890 -13.805 1.00 0.00 H new ATOM 0 HA THR A 101 -4.601 12.033 -15.918 1.00 0.00 H new ATOM 0 HB THR A 101 -5.841 13.491 -17.364 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.509 14.882 -16.480 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.152 12.668 -17.113 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.960 11.373 -16.848 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.776 12.129 -15.459 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.501 14.454 -16.283 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.540 15.547 -16.197 1.00 0.00 C ATOM 1532 C GLU A 102 -3.184 16.791 -15.591 1.00 0.00 C ATOM 1533 O GLU A 102 -4.404 16.865 -15.446 1.00 0.00 O ATOM 1534 CB GLU A 102 -1.979 15.874 -17.582 1.00 0.00 C ATOM 1535 CG GLU A 102 -0.707 15.114 -17.918 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.448 15.042 -19.411 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.208 14.344 -20.113 1.00 0.00 O ATOM 1538 OE2 GLU A 102 0.517 15.685 -19.876 1.00 0.00 O ATOM 0 H GLU A 102 -3.626 14.075 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.724 15.228 -15.549 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.736 15.649 -18.334 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.779 16.944 -17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.140 15.596 -17.429 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.775 14.103 -17.516 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.354 17.767 -15.237 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.840 19.009 -14.647 1.00 0.00 C ATOM 1547 C LYS A 103 -2.306 20.218 -15.408 1.00 0.00 C ATOM 1548 O LYS A 103 -1.258 20.163 -16.052 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.427 19.095 -13.176 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.923 19.124 -12.968 1.00 0.00 C ATOM 1551 CD LYS A 103 -0.556 19.779 -11.647 1.00 0.00 C ATOM 1552 CE LYS A 103 0.917 19.586 -11.320 1.00 0.00 C ATOM 1553 NZ LYS A 103 1.159 19.548 -9.851 1.00 0.00 N ATOM 0 H LYS A 103 -1.341 17.722 -15.349 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.928 19.012 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.864 19.992 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.843 18.242 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.532 18.107 -12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.452 19.666 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.783 20.844 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.166 19.356 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.270 18.658 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.496 20.396 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.003 18.973 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.308 20.515 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.335 19.129 -9.374 1.00 0.00 H new ATOM 1567 N PRO A 104 -3.040 21.338 -15.332 1.00 0.00 N ATOM 1568 CA PRO A 104 -2.657 22.583 -16.006 1.00 0.00 C ATOM 1569 C PRO A 104 -1.428 23.229 -15.375 1.00 0.00 C ATOM 1570 O PRO A 104 -0.883 24.197 -15.906 1.00 0.00 O ATOM 1571 CB PRO A 104 -3.886 23.477 -15.822 1.00 0.00 C ATOM 1572 CG PRO A 104 -4.552 22.958 -14.595 1.00 0.00 C ATOM 1573 CD PRO A 104 -4.300 21.476 -14.582 1.00 0.00 C ATOM 0 HA PRO A 104 -2.386 22.416 -17.049 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -3.601 24.523 -15.705 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.549 23.422 -16.686 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.146 23.431 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.621 23.172 -14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.207 21.093 -13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.113 20.926 -15.057 1.00 0.00 H new ATOM 1581 N SER A 105 -0.997 22.687 -14.241 1.00 0.00 N ATOM 1582 CA SER A 105 0.167 23.213 -13.536 1.00 0.00 C ATOM 1583 C SER A 105 1.311 22.204 -13.548 1.00 0.00 C ATOM 1584 O SER A 105 1.233 21.167 -14.207 1.00 0.00 O ATOM 1585 CB SER A 105 -0.201 23.568 -12.095 1.00 0.00 C ATOM 1586 OG SER A 105 0.574 24.658 -11.624 1.00 0.00 O ATOM 0 H SER A 105 -1.436 21.884 -13.790 1.00 0.00 H new ATOM 0 HA SER A 105 0.497 24.115 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.260 23.819 -12.038 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.044 22.702 -11.452 1.00 0.00 H new ATOM 0 HG SER A 105 0.318 24.866 -10.701 1.00 0.00 H new ATOM 1592 N VAL A 106 2.373 22.516 -12.812 1.00 0.00 N ATOM 1593 CA VAL A 106 3.534 21.637 -12.735 1.00 0.00 C ATOM 1594 C VAL A 106 4.037 21.515 -11.301 1.00 0.00 C ATOM 1595 O VAL A 106 4.352 22.515 -10.655 1.00 0.00 O ATOM 1596 CB VAL A 106 4.682 22.144 -13.629 1.00 0.00 C ATOM 1597 CG1 VAL A 106 5.049 23.575 -13.267 1.00 0.00 C ATOM 1598 CG2 VAL A 106 5.892 21.229 -13.512 1.00 0.00 C ATOM 0 H VAL A 106 2.453 23.370 -12.261 1.00 0.00 H new ATOM 0 HA VAL A 106 3.213 20.657 -13.089 1.00 0.00 H new ATOM 0 HB VAL A 106 4.344 22.132 -14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.861 23.916 -13.909 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.181 24.220 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.368 23.617 -12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.693 21.602 -14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.233 21.207 -12.477 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.618 20.222 -13.825 1.00 0.00 H new ATOM 1608 N PHE A 107 4.110 20.283 -10.808 1.00 0.00 N ATOM 1609 CA PHE A 107 4.575 20.029 -9.450 1.00 0.00 C ATOM 1610 C PHE A 107 4.635 18.531 -9.166 1.00 0.00 C ATOM 1611 O PHE A 107 3.604 17.872 -9.034 1.00 0.00 O ATOM 1612 CB PHE A 107 3.655 20.715 -8.437 1.00 0.00 C ATOM 1613 CG PHE A 107 4.373 21.210 -7.214 1.00 0.00 C ATOM 1614 CD1 PHE A 107 5.255 20.387 -6.532 1.00 0.00 C ATOM 1615 CD2 PHE A 107 4.166 22.498 -6.747 1.00 0.00 C ATOM 1616 CE1 PHE A 107 5.916 20.839 -5.406 1.00 0.00 C ATOM 1617 CE2 PHE A 107 4.825 22.956 -5.621 1.00 0.00 C ATOM 1618 CZ PHE A 107 5.702 22.126 -4.951 1.00 0.00 C ATOM 0 H PHE A 107 3.853 19.445 -11.329 1.00 0.00 H new ATOM 0 HA PHE A 107 5.580 20.439 -9.354 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.157 21.555 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.877 20.015 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.428 19.381 -6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 107 3.482 23.152 -7.268 1.00 0.00 H new ATOM 0 HE1 PHE A 107 6.599 20.187 -4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.654 23.962 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.220 22.482 -4.073 1.00 0.00 H new ATOM 1628 N SER A 108 5.850 18.001 -9.074 1.00 0.00 N ATOM 1629 CA SER A 108 6.046 16.580 -8.811 1.00 0.00 C ATOM 1630 C SER A 108 6.108 16.309 -7.311 1.00 0.00 C ATOM 1631 O SER A 108 6.239 17.232 -6.507 1.00 0.00 O ATOM 1632 CB SER A 108 7.329 16.087 -9.482 1.00 0.00 C ATOM 1633 OG SER A 108 8.357 17.059 -9.394 1.00 0.00 O ATOM 0 H SER A 108 6.714 18.534 -9.178 1.00 0.00 H new ATOM 0 HA SER A 108 5.196 16.039 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.658 15.162 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 108 7.130 15.857 -10.529 1.00 0.00 H new ATOM 0 HG SER A 108 9.167 16.719 -9.829 1.00 0.00 H new ATOM 1639 N ARG A 109 6.012 15.036 -6.941 1.00 0.00 N ATOM 1640 CA ARG A 109 6.055 14.642 -5.538 1.00 0.00 C ATOM 1641 C ARG A 109 7.496 14.503 -5.057 1.00 0.00 C ATOM 1642 O ARG A 109 7.995 15.343 -4.308 1.00 0.00 O ATOM 1643 CB ARG A 109 5.308 13.323 -5.333 1.00 0.00 C ATOM 1644 CG ARG A 109 3.852 13.503 -4.936 1.00 0.00 C ATOM 1645 CD ARG A 109 3.311 12.272 -4.226 1.00 0.00 C ATOM 1646 NE ARG A 109 4.051 11.978 -3.001 1.00 0.00 N ATOM 1647 CZ ARG A 109 3.951 10.830 -2.340 1.00 0.00 C ATOM 1648 NH1 ARG A 109 3.147 9.873 -2.784 1.00 0.00 N ATOM 1649 NH2 ARG A 109 4.657 10.637 -1.233 1.00 0.00 N ATOM 0 H ARG A 109 5.904 14.260 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 109 5.568 15.422 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 109 5.356 12.741 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.817 12.743 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 109 3.756 14.371 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 109 3.254 13.704 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 109 2.259 12.425 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 109 3.364 11.414 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 109 4.679 12.693 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 109 2.604 10.018 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.072 8.993 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.277 11.370 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.580 9.755 -0.726 1.00 0.00 H new ATOM 1663 N SER A 110 8.159 13.436 -5.491 1.00 0.00 N ATOM 1664 CA SER A 110 9.541 13.184 -5.101 1.00 0.00 C ATOM 1665 C SER A 110 10.385 12.797 -6.312 1.00 0.00 C ATOM 1666 O SER A 110 10.771 11.640 -6.470 1.00 0.00 O ATOM 1667 CB SER A 110 9.603 12.076 -4.048 1.00 0.00 C ATOM 1668 OG SER A 110 8.911 12.453 -2.870 1.00 0.00 O ATOM 0 H SER A 110 7.761 12.732 -6.113 1.00 0.00 H new ATOM 0 HA SER A 110 9.945 14.103 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.169 11.161 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.643 11.856 -3.808 1.00 0.00 H new ATOM 0 HG SER A 110 8.964 11.728 -2.213 1.00 0.00 H new ATOM 1674 N GLY A 111 10.668 13.777 -7.165 1.00 0.00 N ATOM 1675 CA GLY A 111 11.465 13.521 -8.351 1.00 0.00 C ATOM 1676 C GLY A 111 12.906 13.190 -8.021 1.00 0.00 C ATOM 1677 O GLY A 111 13.369 13.387 -6.898 1.00 0.00 O ATOM 0 H GLY A 111 10.360 14.743 -7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.025 12.695 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.436 14.396 -9.000 1.00 0.00 H new ATOM 1681 N PRO A 112 13.642 12.673 -9.017 1.00 0.00 N ATOM 1682 CA PRO A 112 15.050 12.302 -8.851 1.00 0.00 C ATOM 1683 C PRO A 112 15.954 13.518 -8.683 1.00 0.00 C ATOM 1684 O PRO A 112 15.564 14.642 -9.000 1.00 0.00 O ATOM 1685 CB PRO A 112 15.379 11.566 -10.152 1.00 0.00 C ATOM 1686 CG PRO A 112 14.413 12.108 -11.148 1.00 0.00 C ATOM 1687 CD PRO A 112 13.155 12.411 -10.382 1.00 0.00 C ATOM 0 HA PRO A 112 15.211 11.703 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.409 11.747 -10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 112 15.266 10.488 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.806 13.006 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.223 11.385 -11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 112 12.631 13.273 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.458 11.573 -10.406 1.00 0.00 H new ATOM 1695 N SER A 113 17.164 13.286 -8.184 1.00 0.00 N ATOM 1696 CA SER A 113 18.123 14.364 -7.971 1.00 0.00 C ATOM 1697 C SER A 113 19.126 14.433 -9.119 1.00 0.00 C ATOM 1698 O SER A 113 19.515 13.409 -9.680 1.00 0.00 O ATOM 1699 CB SER A 113 18.860 14.165 -6.646 1.00 0.00 C ATOM 1700 OG SER A 113 19.913 15.103 -6.502 1.00 0.00 O ATOM 0 H SER A 113 17.504 12.361 -7.920 1.00 0.00 H new ATOM 0 HA SER A 113 17.573 15.304 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 113 18.160 14.270 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 113 19.261 13.153 -6.598 1.00 0.00 H new ATOM 0 HG SER A 113 20.367 14.956 -5.646 1.00 0.00 H new ATOM 1706 N SER A 114 19.540 15.649 -9.462 1.00 0.00 N ATOM 1707 CA SER A 114 20.495 15.854 -10.545 1.00 0.00 C ATOM 1708 C SER A 114 21.906 15.479 -10.103 1.00 0.00 C ATOM 1709 O SER A 114 22.647 16.311 -9.581 1.00 0.00 O ATOM 1710 CB SER A 114 20.464 17.310 -11.012 1.00 0.00 C ATOM 1711 OG SER A 114 20.943 17.430 -12.340 1.00 0.00 O ATOM 0 H SER A 114 19.229 16.507 -9.006 1.00 0.00 H new ATOM 0 HA SER A 114 20.210 15.208 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 114 19.445 17.692 -10.954 1.00 0.00 H new ATOM 0 HB3 SER A 114 21.072 17.922 -10.346 1.00 0.00 H new ATOM 0 HG SER A 114 20.911 18.370 -12.615 1.00 0.00 H new ATOM 1717 N GLY A 115 22.272 14.219 -10.317 1.00 0.00 N ATOM 1718 CA GLY A 115 23.593 13.755 -9.935 1.00 0.00 C ATOM 1719 C GLY A 115 24.476 13.468 -11.134 1.00 0.00 C ATOM 1720 O GLY A 115 25.599 12.986 -10.985 1.00 0.00 O ATOM 0 H GLY A 115 21.677 13.511 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 115 24.071 14.507 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 115 23.497 12.851 -9.333 1.00 0.00 H new TER 1724 GLY A 115