USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 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 33 ASN : amide:sc= -1.9! C(o=-1!,f=-7.5!) USER MOD Set 1.2: A 110 CYS SG : rot 1:sc= 0.88 USER MOD Set 2.1: A 94 HIS :FLIP no HD1:sc= 0.298 F(o=-0.65,f=0.67) USER MOD Set 2.2: A 98 LYS NZ :NH3+ 145:sc= 0.37 (180deg=0.148) USER MOD Set 3.1: A 93 GLN : amide:sc= -1.75 X(o=-1.7,f=-2) USER MOD Set 3.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 87 THR OG1 : rot -148:sc= 0.02! USER MOD Set 4.2: A 89 GLN :FLIP amide:sc= 0.659 F(o=-0.69,f=0.68) USER MOD Set 5.1: A 65 LYS NZ :NH3+ -147:sc= 0.616 (180deg=0) USER MOD Set 5.2: A 67 TYR OH : rot -166:sc= 0.287 USER MOD Set 5.3: A 103 CYS SG : rot 48:sc= -1.66! USER MOD Set 6.1: A 43 SER OG : rot 150:sc= 0 USER MOD Set 6.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 6.3: A 46 ASN : amide:sc= -9.46! C(o=-9.5!,f=-14!) USER MOD Set 7.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.767 USER MOD Single : A 13 LYS NZ :NH3+ 125:sc= 0.0181 (180deg=-0.783) USER MOD Single : A 18 THR OG1 : rot -56:sc= 0.751 USER MOD Single : A 27 GLN : amide:sc= 0.042 K(o=0.042,f=-1.9!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.123) USER MOD Single : A 37 SER OG : rot 28:sc= 0.0819 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 0.731 (180deg=-0.693) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.4!) USER MOD Single : A 66 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-3.1) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc=-0.00549 (180deg=-0.132) USER MOD Single : A 71 SER OG : rot 146:sc= 0.312 USER MOD Single : A 74 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.7) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 151:sc= -0.189 USER MOD Single : A 96 SER OG : rot 88:sc= 1.21 USER MOD Single : A 104 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 112 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.139 21.739 -26.326 1.00 0.00 N ATOM 2 CA GLY A 1 -1.834 20.312 -26.372 1.00 0.00 C ATOM 3 C GLY A 1 -2.627 19.503 -25.350 1.00 0.00 C ATOM 4 O GLY A 1 -2.101 18.997 -24.368 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.572 22.238 -27.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.150 21.884 -26.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.913 22.112 -25.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.045 19.932 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.768 20.167 -26.195 1.00 0.00 H new ATOM 10 N SER A 2 -3.937 19.433 -25.663 1.00 0.00 N ATOM 11 CA SER A 2 -4.895 18.706 -24.834 1.00 0.00 C ATOM 12 C SER A 2 -4.663 17.195 -24.972 1.00 0.00 C ATOM 13 O SER A 2 -4.184 16.545 -24.053 1.00 0.00 O ATOM 14 CB SER A 2 -6.328 19.122 -25.221 1.00 0.00 C ATOM 15 OG SER A 2 -7.212 18.145 -24.506 1.00 0.00 O ATOM 0 H SER A 2 -4.347 19.874 -26.486 1.00 0.00 H new ATOM 0 HA SER A 2 -4.753 18.957 -23.783 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.540 20.146 -24.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.477 19.075 -26.300 1.00 0.00 H new ATOM 0 HG SER A 2 -8.150 18.348 -24.703 1.00 0.00 H new ATOM 21 N VAL A 3 -5.027 16.693 -26.172 1.00 0.00 N ATOM 22 CA VAL A 3 -4.883 15.273 -26.471 1.00 0.00 C ATOM 23 C VAL A 3 -5.692 14.430 -25.461 1.00 0.00 C ATOM 24 O VAL A 3 -5.148 13.795 -24.567 1.00 0.00 O ATOM 25 CB VAL A 3 -3.393 14.859 -26.539 1.00 0.00 C ATOM 26 CG1 VAL A 3 -3.229 13.353 -26.802 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.632 15.704 -27.580 1.00 0.00 C ATOM 0 H VAL A 3 -5.416 17.250 -26.932 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.296 15.078 -27.461 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.952 15.059 -25.562 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.169 13.104 -26.842 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.704 12.790 -25.999 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.698 13.096 -27.752 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.588 15.393 -27.608 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.080 15.560 -28.563 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.690 16.757 -27.306 1.00 0.00 H new ATOM 37 N ALA A 4 -7.026 14.488 -25.664 1.00 0.00 N ATOM 38 CA ALA A 4 -7.925 13.743 -24.784 1.00 0.00 C ATOM 39 C ALA A 4 -7.716 12.220 -24.974 1.00 0.00 C ATOM 40 O ALA A 4 -7.261 11.552 -24.053 1.00 0.00 O ATOM 41 CB ALA A 4 -9.381 14.192 -24.962 1.00 0.00 C ATOM 0 H ALA A 4 -7.482 15.024 -26.402 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.679 13.967 -23.746 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.023 13.618 -24.293 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.466 15.253 -24.726 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.690 14.024 -25.994 1.00 0.00 H new ATOM 47 N PRO A 5 -8.058 11.678 -26.190 1.00 0.00 N ATOM 48 CA PRO A 5 -7.855 10.252 -26.457 1.00 0.00 C ATOM 49 C PRO A 5 -6.366 9.868 -26.381 1.00 0.00 C ATOM 50 O PRO A 5 -5.515 10.674 -26.028 1.00 0.00 O ATOM 51 CB PRO A 5 -8.404 10.022 -27.881 1.00 0.00 C ATOM 52 CG PRO A 5 -8.838 11.384 -28.431 1.00 0.00 C ATOM 53 CD PRO A 5 -8.695 12.393 -27.295 1.00 0.00 C ATOM 0 HA PRO A 5 -8.362 9.635 -25.715 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.641 9.576 -28.519 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.246 9.330 -27.860 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.219 11.671 -29.281 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.868 11.346 -28.785 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.091 13.246 -27.606 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.668 12.783 -26.996 1.00 0.00 H new ATOM 61 N VAL A 6 -6.111 8.596 -26.755 1.00 0.00 N ATOM 62 CA VAL A 6 -4.750 8.070 -26.742 1.00 0.00 C ATOM 63 C VAL A 6 -4.201 8.092 -25.304 1.00 0.00 C ATOM 64 O VAL A 6 -3.345 8.895 -24.950 1.00 0.00 O ATOM 65 CB VAL A 6 -3.831 8.842 -27.717 1.00 0.00 C ATOM 66 CG1 VAL A 6 -2.415 8.245 -27.739 1.00 0.00 C ATOM 67 CG2 VAL A 6 -4.450 8.913 -29.125 1.00 0.00 C ATOM 0 H VAL A 6 -6.823 7.933 -27.063 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.772 7.037 -27.090 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.740 9.866 -27.354 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.793 8.809 -28.434 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.983 8.297 -26.740 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.464 7.204 -28.059 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.782 9.461 -29.789 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.596 7.904 -29.510 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.411 9.424 -29.074 1.00 0.00 H new ATOM 77 N GLU A 7 -4.747 7.156 -24.507 1.00 0.00 N ATOM 78 CA GLU A 7 -4.320 7.086 -23.116 1.00 0.00 C ATOM 79 C GLU A 7 -4.665 5.725 -22.504 1.00 0.00 C ATOM 80 O GLU A 7 -5.638 5.089 -22.888 1.00 0.00 O ATOM 81 CB GLU A 7 -4.990 8.220 -22.321 1.00 0.00 C ATOM 82 CG GLU A 7 -6.534 8.196 -22.358 1.00 0.00 C ATOM 83 CD GLU A 7 -7.122 8.591 -20.993 1.00 0.00 C ATOM 84 OE1 GLU A 7 -7.191 7.736 -20.111 1.00 0.00 O ATOM 85 OE2 GLU A 7 -7.498 9.749 -20.826 1.00 0.00 O ATOM 0 H GLU A 7 -5.449 6.473 -24.791 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.237 7.203 -23.072 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.662 8.163 -21.283 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.644 9.176 -22.713 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.894 8.881 -23.126 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.880 7.199 -22.633 1.00 0.00 H new ATOM 92 N THR A 8 -3.792 5.327 -21.546 1.00 0.00 N ATOM 93 CA THR A 8 -3.931 4.066 -20.804 1.00 0.00 C ATOM 94 C THR A 8 -4.191 2.869 -21.726 1.00 0.00 C ATOM 95 O THR A 8 -5.331 2.532 -22.027 1.00 0.00 O ATOM 96 CB THR A 8 -5.124 4.148 -19.804 1.00 0.00 C ATOM 97 OG1 THR A 8 -6.489 4.235 -20.325 1.00 0.00 O ATOM 98 CG2 THR A 8 -4.887 5.310 -18.822 1.00 0.00 C ATOM 0 H THR A 8 -2.976 5.875 -21.272 1.00 0.00 H new ATOM 0 HA THR A 8 -2.986 3.920 -20.281 1.00 0.00 H new ATOM 0 HB THR A 8 -5.107 3.163 -19.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.574 3.665 -21.117 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.720 5.370 -18.121 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.962 5.139 -18.272 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.811 6.245 -19.377 1.00 0.00 H new ATOM 106 N LEU A 9 -3.083 2.242 -22.145 1.00 0.00 N ATOM 107 CA LEU A 9 -3.216 1.100 -23.042 1.00 0.00 C ATOM 108 C LEU A 9 -2.351 -0.035 -22.523 1.00 0.00 C ATOM 109 O LEU A 9 -1.374 -0.428 -23.149 1.00 0.00 O ATOM 110 CB LEU A 9 -2.765 1.511 -24.448 1.00 0.00 C ATOM 111 CG LEU A 9 -3.667 2.578 -25.096 1.00 0.00 C ATOM 112 CD1 LEU A 9 -2.923 3.905 -25.277 1.00 0.00 C ATOM 113 CD2 LEU A 9 -4.219 2.070 -26.435 1.00 0.00 C ATOM 0 H LEU A 9 -2.129 2.495 -21.889 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.254 0.770 -23.085 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.745 1.892 -24.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.744 0.628 -25.087 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.505 2.764 -24.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.589 4.636 -25.737 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.595 4.274 -24.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.055 3.751 -25.918 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.855 2.835 -26.880 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.392 1.848 -27.109 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.804 1.165 -26.268 1.00 0.00 H new ATOM 125 N GLU A 10 -2.775 -0.520 -21.330 1.00 0.00 N ATOM 126 CA GLU A 10 -2.064 -1.606 -20.659 1.00 0.00 C ATOM 127 C GLU A 10 -0.641 -1.120 -20.326 1.00 0.00 C ATOM 128 O GLU A 10 -0.263 -0.011 -20.678 1.00 0.00 O ATOM 129 CB GLU A 10 -2.061 -2.873 -21.544 1.00 0.00 C ATOM 130 CG GLU A 10 -3.487 -3.373 -21.860 1.00 0.00 C ATOM 131 CD GLU A 10 -3.764 -3.430 -23.374 1.00 0.00 C ATOM 132 OE1 GLU A 10 -4.219 -2.428 -23.927 1.00 0.00 O ATOM 133 OE2 GLU A 10 -3.526 -4.475 -23.980 1.00 0.00 O ATOM 0 H GLU A 10 -3.594 -0.175 -20.829 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.564 -1.878 -19.730 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.538 -2.660 -22.477 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.505 -3.664 -21.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.625 -4.365 -21.430 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.214 -2.715 -21.384 1.00 0.00 H new ATOM 140 N VAL A 11 0.113 -1.987 -19.615 1.00 0.00 N ATOM 141 CA VAL A 11 1.515 -1.722 -19.248 1.00 0.00 C ATOM 142 C VAL A 11 1.773 -0.269 -18.767 1.00 0.00 C ATOM 143 O VAL A 11 2.841 0.300 -18.961 1.00 0.00 O ATOM 144 CB VAL A 11 2.434 -2.065 -20.442 1.00 0.00 C ATOM 145 CG1 VAL A 11 2.344 -3.547 -20.845 1.00 0.00 C ATOM 146 CG2 VAL A 11 2.164 -1.159 -21.658 1.00 0.00 C ATOM 0 H VAL A 11 -0.235 -2.886 -19.282 1.00 0.00 H new ATOM 0 HA VAL A 11 1.743 -2.362 -18.396 1.00 0.00 H new ATOM 0 HB VAL A 11 3.452 -1.877 -20.100 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.009 -3.736 -21.688 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.640 -4.172 -20.002 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.319 -3.785 -21.130 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.832 -1.436 -22.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.130 -1.280 -21.980 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.339 -0.119 -21.383 1.00 0.00 H new ATOM 156 N GLU A 12 0.731 0.276 -18.123 1.00 0.00 N ATOM 157 CA GLU A 12 0.741 1.627 -17.596 1.00 0.00 C ATOM 158 C GLU A 12 1.542 1.623 -16.316 1.00 0.00 C ATOM 159 O GLU A 12 1.857 0.579 -15.753 1.00 0.00 O ATOM 160 CB GLU A 12 -0.678 2.165 -17.344 1.00 0.00 C ATOM 161 CG GLU A 12 -1.396 2.542 -18.645 1.00 0.00 C ATOM 162 CD GLU A 12 -0.658 3.686 -19.366 1.00 0.00 C ATOM 163 OE1 GLU A 12 -0.588 4.784 -18.814 1.00 0.00 O ATOM 164 OE2 GLU A 12 -0.170 3.463 -20.473 1.00 0.00 O ATOM 0 H GLU A 12 -0.144 -0.221 -17.958 1.00 0.00 H new ATOM 0 HA GLU A 12 1.194 2.291 -18.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.261 1.412 -16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.623 3.039 -16.695 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.454 1.672 -19.299 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.420 2.845 -18.426 1.00 0.00 H new ATOM 171 N LYS A 13 1.961 2.860 -15.978 1.00 0.00 N ATOM 172 CA LYS A 13 2.712 3.111 -14.756 1.00 0.00 C ATOM 173 C LYS A 13 1.875 2.965 -13.492 1.00 0.00 C ATOM 174 O LYS A 13 1.854 3.848 -12.651 1.00 0.00 O ATOM 175 CB LYS A 13 3.266 4.505 -14.715 1.00 0.00 C ATOM 176 CG LYS A 13 4.447 4.704 -15.605 1.00 0.00 C ATOM 177 CD LYS A 13 5.439 3.565 -15.756 1.00 0.00 C ATOM 178 CE LYS A 13 6.742 4.018 -16.416 1.00 0.00 C ATOM 179 NZ LYS A 13 7.765 2.991 -16.305 1.00 0.00 N ATOM 0 H LYS A 13 1.786 3.692 -16.541 1.00 0.00 H new ATOM 0 HA LYS A 13 3.502 2.361 -14.776 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.483 5.207 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.549 4.745 -13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.075 4.954 -16.599 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.994 5.574 -15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.658 3.144 -14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.989 2.770 -16.351 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.562 4.245 -17.467 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.092 4.937 -15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.128 2.759 -17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.544 3.340 -15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.355 2.138 -15.873 1.00 0.00 H new ATOM 193 N TRP A 14 1.236 1.800 -13.391 1.00 0.00 N ATOM 194 CA TRP A 14 0.439 1.451 -12.247 1.00 0.00 C ATOM 195 C TRP A 14 0.644 -0.063 -12.006 1.00 0.00 C ATOM 196 O TRP A 14 0.979 -0.438 -10.900 1.00 0.00 O ATOM 197 CB TRP A 14 -1.037 1.889 -12.325 1.00 0.00 C ATOM 198 CG TRP A 14 -2.072 0.972 -12.947 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.800 1.178 -14.109 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.648 -0.207 -12.345 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.757 0.230 -14.257 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.699 -0.649 -13.183 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.341 -0.873 -11.208 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.428 -1.749 -12.815 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.064 -1.990 -10.859 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.098 -2.428 -11.660 1.00 0.00 C ATOM 0 H TRP A 14 1.266 1.078 -14.111 1.00 0.00 H new ATOM 0 HA TRP A 14 0.778 2.018 -11.380 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.365 2.104 -11.308 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.067 2.830 -12.875 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.627 1.987 -14.804 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.415 0.171 -15.034 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.533 -0.530 -10.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.255 -2.082 -13.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.821 -2.526 -9.954 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.654 -3.310 -11.381 1.00 0.00 H new ATOM 217 N PHE A 15 0.507 -0.913 -13.057 1.00 0.00 N ATOM 218 CA PHE A 15 0.732 -2.357 -12.853 1.00 0.00 C ATOM 219 C PHE A 15 2.241 -2.681 -13.010 1.00 0.00 C ATOM 220 O PHE A 15 2.710 -3.009 -14.091 1.00 0.00 O ATOM 221 CB PHE A 15 -0.114 -3.172 -13.862 1.00 0.00 C ATOM 222 CG PHE A 15 -0.076 -4.670 -13.632 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.251 -5.206 -12.357 1.00 0.00 C ATOM 224 CD2 PHE A 15 0.122 -5.544 -14.704 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.222 -6.584 -12.167 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.146 -6.921 -14.511 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.027 -7.442 -13.240 1.00 0.00 C ATOM 0 H PHE A 15 0.255 -0.637 -14.006 1.00 0.00 H new ATOM 0 HA PHE A 15 0.422 -2.632 -11.845 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.149 -2.833 -13.810 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.240 -2.961 -14.871 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.410 -4.550 -11.514 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.259 -5.144 -15.698 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.353 -6.990 -11.175 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.299 -7.583 -15.351 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.010 -8.511 -13.084 1.00 0.00 H new ATOM 237 N PHE A 16 2.968 -2.553 -11.871 1.00 0.00 N ATOM 238 CA PHE A 16 4.419 -2.815 -11.822 1.00 0.00 C ATOM 239 C PHE A 16 4.679 -4.240 -11.262 1.00 0.00 C ATOM 240 O PHE A 16 3.858 -4.813 -10.567 1.00 0.00 O ATOM 241 CB PHE A 16 5.132 -1.695 -10.992 1.00 0.00 C ATOM 242 CG PHE A 16 5.928 -0.752 -11.871 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.350 -0.142 -12.983 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.271 -0.499 -11.597 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.093 0.689 -13.810 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.015 0.320 -12.433 1.00 0.00 C ATOM 247 CZ PHE A 16 7.427 0.930 -13.533 1.00 0.00 C ATOM 0 H PHE A 16 2.568 -2.270 -10.977 1.00 0.00 H new ATOM 0 HA PHE A 16 4.842 -2.786 -12.826 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.387 -1.128 -10.435 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.796 -2.154 -10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.308 -0.319 -13.205 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.735 -0.943 -10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.629 1.148 -14.671 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.062 0.485 -12.226 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.005 1.586 -14.166 1.00 0.00 H new ATOM 257 N ARG A 17 5.899 -4.753 -11.560 1.00 0.00 N ATOM 258 CA ARG A 17 6.329 -6.091 -11.101 1.00 0.00 C ATOM 259 C ARG A 17 6.846 -6.035 -9.641 1.00 0.00 C ATOM 260 O ARG A 17 6.334 -5.269 -8.850 1.00 0.00 O ATOM 261 CB ARG A 17 7.379 -6.662 -12.087 1.00 0.00 C ATOM 262 CG ARG A 17 6.730 -7.454 -13.219 1.00 0.00 C ATOM 263 CD ARG A 17 7.754 -8.247 -14.044 1.00 0.00 C ATOM 264 NE ARG A 17 8.432 -7.388 -15.016 1.00 0.00 N ATOM 265 CZ ARG A 17 9.464 -7.831 -15.767 1.00 0.00 C ATOM 266 NH1 ARG A 17 9.927 -9.067 -15.629 1.00 0.00 N ATOM 267 NH2 ARG A 17 10.024 -7.029 -16.663 1.00 0.00 N ATOM 0 H ARG A 17 6.598 -4.259 -12.115 1.00 0.00 H new ATOM 0 HA ARG A 17 5.476 -6.769 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.965 -5.844 -12.506 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.072 -7.306 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.994 -8.141 -12.802 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.192 -6.770 -13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.490 -8.698 -13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.252 -9.063 -14.564 1.00 0.00 H new ATOM 0 HE ARG A 17 8.116 -6.425 -15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.503 -9.697 -14.948 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.707 -9.387 -16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.675 -6.078 -16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.803 -7.363 -17.230 1.00 0.00 H new ATOM 281 N THR A 18 7.808 -6.923 -9.296 1.00 0.00 N ATOM 282 CA THR A 18 8.393 -6.951 -7.962 1.00 0.00 C ATOM 283 C THR A 18 9.665 -6.097 -7.952 1.00 0.00 C ATOM 284 O THR A 18 10.787 -6.568 -7.859 1.00 0.00 O ATOM 285 CB THR A 18 8.729 -8.370 -7.391 1.00 0.00 C ATOM 286 OG1 THR A 18 9.848 -8.438 -6.456 1.00 0.00 O ATOM 287 CG2 THR A 18 8.627 -9.536 -8.409 1.00 0.00 C ATOM 0 H THR A 18 8.186 -7.624 -9.933 1.00 0.00 H new ATOM 0 HA THR A 18 7.618 -6.554 -7.306 1.00 0.00 H new ATOM 0 HB THR A 18 7.883 -8.558 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.650 -8.065 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.879 -10.474 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.610 -9.592 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.320 -9.362 -9.232 1.00 0.00 H new ATOM 295 N ILE A 19 9.414 -4.788 -8.143 1.00 0.00 N ATOM 296 CA ILE A 19 10.529 -3.859 -8.062 1.00 0.00 C ATOM 297 C ILE A 19 10.906 -3.737 -6.579 1.00 0.00 C ATOM 298 O ILE A 19 10.117 -4.039 -5.692 1.00 0.00 O ATOM 299 CB ILE A 19 10.135 -2.497 -8.647 1.00 0.00 C ATOM 300 CG1 ILE A 19 11.337 -1.732 -9.193 1.00 0.00 C ATOM 301 CG2 ILE A 19 9.249 -1.667 -7.717 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.929 -0.332 -9.673 1.00 0.00 C ATOM 0 H ILE A 19 8.501 -4.378 -8.342 1.00 0.00 H new ATOM 0 HA ILE A 19 11.380 -4.218 -8.640 1.00 0.00 H new ATOM 0 HB ILE A 19 9.501 -2.710 -9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.100 -1.647 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.781 -2.288 -10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.009 -0.717 -8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.328 -2.212 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.778 -1.480 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.805 0.191 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.184 -0.421 -10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.508 0.230 -8.839 1.00 0.00 H new ATOM 314 N SER A 20 12.150 -3.283 -6.355 1.00 0.00 N ATOM 315 CA SER A 20 12.583 -3.081 -4.975 1.00 0.00 C ATOM 316 C SER A 20 11.682 -2.001 -4.353 1.00 0.00 C ATOM 317 O SER A 20 11.145 -1.138 -5.030 1.00 0.00 O ATOM 318 CB SER A 20 14.065 -2.655 -4.988 1.00 0.00 C ATOM 319 OG SER A 20 14.607 -2.837 -3.600 1.00 0.00 O ATOM 0 H SER A 20 12.838 -3.060 -7.074 1.00 0.00 H new ATOM 0 HA SER A 20 12.498 -3.991 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.629 -3.257 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.161 -1.616 -5.302 1.00 0.00 H new ATOM 0 HG SER A 20 15.551 -2.574 -3.580 1.00 0.00 H new ATOM 325 N ARG A 21 11.626 -2.050 -3.025 1.00 0.00 N ATOM 326 CA ARG A 21 10.787 -1.109 -2.284 1.00 0.00 C ATOM 327 C ARG A 21 11.218 0.333 -2.590 1.00 0.00 C ATOM 328 O ARG A 21 10.452 1.173 -3.045 1.00 0.00 O ATOM 329 CB ARG A 21 10.872 -1.419 -0.782 1.00 0.00 C ATOM 330 CG ARG A 21 10.217 -0.324 0.068 1.00 0.00 C ATOM 331 CD ARG A 21 10.029 -0.713 1.535 1.00 0.00 C ATOM 332 NE ARG A 21 11.270 -0.526 2.282 1.00 0.00 N ATOM 333 CZ ARG A 21 11.728 0.703 2.609 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.076 1.802 2.244 1.00 0.00 N ATOM 335 NH2 ARG A 21 12.856 0.818 3.297 1.00 0.00 N ATOM 0 H ARG A 21 12.140 -2.716 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 21 9.748 -1.216 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.386 -2.374 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.917 -1.526 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.827 0.578 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.246 -0.077 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.237 -0.109 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.711 -1.753 1.603 1.00 0.00 H new ATOM 0 HE ARG A 21 11.806 -1.346 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.212 1.728 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.439 2.720 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.371 -0.017 3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.209 1.742 3.548 1.00 0.00 H new ATOM 349 N LYS A 22 12.518 0.536 -2.296 1.00 0.00 N ATOM 350 CA LYS A 22 13.153 1.832 -2.537 1.00 0.00 C ATOM 351 C LYS A 22 13.128 2.233 -3.991 1.00 0.00 C ATOM 352 O LYS A 22 13.259 3.408 -4.311 1.00 0.00 O ATOM 353 CB LYS A 22 14.579 1.873 -1.986 1.00 0.00 C ATOM 354 CG LYS A 22 15.438 0.718 -2.488 1.00 0.00 C ATOM 355 CD LYS A 22 15.988 0.918 -3.880 1.00 0.00 C ATOM 356 CE LYS A 22 17.488 0.588 -3.989 1.00 0.00 C ATOM 357 NZ LYS A 22 17.769 -0.848 -4.025 1.00 0.00 N ATOM 0 H LYS A 22 13.134 -0.173 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 22 12.557 2.566 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.046 2.817 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.544 1.848 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.269 0.571 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.844 -0.196 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.432 0.291 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.827 1.953 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.889 1.051 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.012 1.032 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.795 -0.999 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.415 -1.293 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.296 -1.274 -4.848 1.00 0.00 H new ATOM 371 N ASP A 23 12.937 1.202 -4.858 1.00 0.00 N ATOM 372 CA ASP A 23 12.944 1.510 -6.273 1.00 0.00 C ATOM 373 C ASP A 23 11.631 2.171 -6.684 1.00 0.00 C ATOM 374 O ASP A 23 11.579 3.285 -7.162 1.00 0.00 O ATOM 375 CB ASP A 23 13.169 0.268 -7.179 1.00 0.00 C ATOM 376 CG ASP A 23 14.654 -0.137 -7.293 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.528 0.692 -7.037 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.922 -1.284 -7.645 1.00 0.00 O ATOM 0 H ASP A 23 12.788 0.225 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 23 13.786 2.187 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.599 -0.572 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.778 0.476 -8.175 1.00 0.00 H new ATOM 383 N ALA A 24 10.564 1.418 -6.450 1.00 0.00 N ATOM 384 CA ALA A 24 9.205 1.860 -6.773 1.00 0.00 C ATOM 385 C ALA A 24 8.933 3.280 -6.216 1.00 0.00 C ATOM 386 O ALA A 24 8.420 4.161 -6.892 1.00 0.00 O ATOM 387 CB ALA A 24 8.235 0.848 -6.160 1.00 0.00 C ATOM 0 H ALA A 24 10.611 0.488 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 24 9.075 1.911 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.210 1.146 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.425 -0.139 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.378 0.815 -5.080 1.00 0.00 H new ATOM 393 N GLU A 25 9.334 3.444 -4.939 1.00 0.00 N ATOM 394 CA GLU A 25 9.136 4.714 -4.257 1.00 0.00 C ATOM 395 C GLU A 25 9.951 5.823 -4.943 1.00 0.00 C ATOM 396 O GLU A 25 9.523 6.960 -4.974 1.00 0.00 O ATOM 397 CB GLU A 25 9.527 4.579 -2.787 1.00 0.00 C ATOM 398 CG GLU A 25 8.616 3.626 -1.990 1.00 0.00 C ATOM 399 CD GLU A 25 9.244 3.288 -0.617 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.415 2.911 -0.573 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.561 3.411 0.399 1.00 0.00 O ATOM 0 H GLU A 25 9.787 2.722 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 25 8.082 4.988 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.555 4.222 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.503 5.564 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.639 4.086 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.456 2.709 -2.557 1.00 0.00 H new ATOM 408 N ARG A 26 11.105 5.441 -5.540 1.00 0.00 N ATOM 409 CA ARG A 26 11.951 6.427 -6.213 1.00 0.00 C ATOM 410 C ARG A 26 11.203 7.055 -7.403 1.00 0.00 C ATOM 411 O ARG A 26 11.420 8.201 -7.775 1.00 0.00 O ATOM 412 CB ARG A 26 13.257 5.755 -6.734 1.00 0.00 C ATOM 413 CG ARG A 26 13.261 5.156 -8.165 1.00 0.00 C ATOM 414 CD ARG A 26 14.142 3.912 -8.338 1.00 0.00 C ATOM 415 NE ARG A 26 15.043 4.062 -9.476 1.00 0.00 N ATOM 416 CZ ARG A 26 16.097 4.906 -9.454 1.00 0.00 C ATOM 417 NH1 ARG A 26 16.358 5.660 -8.392 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.886 4.985 -10.517 1.00 0.00 N ATOM 0 H ARG A 26 11.455 4.483 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 26 12.203 7.204 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.054 6.496 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.519 4.957 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.238 4.901 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.597 5.922 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.722 3.744 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.513 3.034 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 26 14.871 3.511 -10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.756 5.609 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.160 6.290 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.694 4.412 -11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.685 5.619 -10.513 1.00 0.00 H new ATOM 432 N GLN A 27 10.288 6.213 -7.929 1.00 0.00 N ATOM 433 CA GLN A 27 9.497 6.607 -9.087 1.00 0.00 C ATOM 434 C GLN A 27 8.391 7.591 -8.714 1.00 0.00 C ATOM 435 O GLN A 27 8.297 8.684 -9.264 1.00 0.00 O ATOM 436 CB GLN A 27 8.873 5.387 -9.794 1.00 0.00 C ATOM 437 CG GLN A 27 9.901 4.285 -10.061 1.00 0.00 C ATOM 438 CD GLN A 27 9.280 3.128 -10.838 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.710 2.201 -10.282 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.436 3.244 -12.164 1.00 0.00 N ATOM 0 H GLN A 27 10.090 5.279 -7.571 1.00 0.00 H new ATOM 0 HA GLN A 27 10.188 7.099 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.066 4.987 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.429 5.704 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.740 4.695 -10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.300 3.919 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.926 4.051 -12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.065 2.526 -12.786 1.00 0.00 H new ATOM 449 N LEU A 28 7.526 7.114 -7.791 1.00 0.00 N ATOM 450 CA LEU A 28 6.431 7.966 -7.384 1.00 0.00 C ATOM 451 C LEU A 28 6.912 9.274 -6.738 1.00 0.00 C ATOM 452 O LEU A 28 6.347 10.327 -6.999 1.00 0.00 O ATOM 453 CB LEU A 28 5.449 7.174 -6.522 1.00 0.00 C ATOM 454 CG LEU A 28 4.960 5.942 -7.261 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.159 5.076 -6.299 1.00 0.00 C ATOM 456 CD2 LEU A 28 4.089 6.309 -8.457 1.00 0.00 C ATOM 0 H LEU A 28 7.572 6.197 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 28 5.890 8.290 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.932 6.878 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.601 7.805 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 28 5.829 5.400 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.803 4.187 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.793 4.777 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.307 5.642 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.759 5.400 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.220 6.871 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.665 6.919 -9.153 1.00 0.00 H new ATOM 468 N LEU A 29 7.988 9.168 -5.917 1.00 0.00 N ATOM 469 CA LEU A 29 8.535 10.329 -5.219 1.00 0.00 C ATOM 470 C LEU A 29 9.218 11.326 -6.161 1.00 0.00 C ATOM 471 O LEU A 29 9.640 12.389 -5.726 1.00 0.00 O ATOM 472 CB LEU A 29 9.571 9.843 -4.205 1.00 0.00 C ATOM 473 CG LEU A 29 8.906 9.140 -3.022 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.925 8.276 -2.284 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.257 10.174 -2.078 1.00 0.00 C ATOM 0 H LEU A 29 8.480 8.294 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 29 7.701 10.843 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.266 9.160 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.155 10.690 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 29 8.116 8.487 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.440 7.780 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.327 7.526 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.736 8.904 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.788 9.658 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.022 10.854 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.503 10.741 -2.623 1.00 0.00 H new ATOM 487 N ALA A 30 9.295 10.959 -7.452 1.00 0.00 N ATOM 488 CA ALA A 30 9.873 11.867 -8.430 1.00 0.00 C ATOM 489 C ALA A 30 8.970 13.112 -8.557 1.00 0.00 C ATOM 490 O ALA A 30 7.751 13.006 -8.477 1.00 0.00 O ATOM 491 CB ALA A 30 10.033 11.188 -9.795 1.00 0.00 C ATOM 0 H ALA A 30 8.972 10.066 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 30 10.866 12.162 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.467 11.893 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.688 10.323 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.057 10.865 -10.157 1.00 0.00 H new ATOM 497 N PRO A 31 9.610 14.302 -8.754 1.00 0.00 N ATOM 498 CA PRO A 31 8.885 15.561 -8.918 1.00 0.00 C ATOM 499 C PRO A 31 8.024 15.636 -10.193 1.00 0.00 C ATOM 500 O PRO A 31 7.349 16.627 -10.449 1.00 0.00 O ATOM 501 CB PRO A 31 9.975 16.641 -8.981 1.00 0.00 C ATOM 502 CG PRO A 31 11.303 15.912 -9.147 1.00 0.00 C ATOM 503 CD PRO A 31 11.053 14.458 -8.794 1.00 0.00 C ATOM 0 HA PRO A 31 8.181 15.680 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.799 17.320 -9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.975 17.244 -8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.669 16.004 -10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.064 16.342 -8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.497 13.794 -9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.500 14.207 -7.832 1.00 0.00 H new ATOM 511 N MET A 32 8.087 14.537 -10.972 1.00 0.00 N ATOM 512 CA MET A 32 7.330 14.432 -12.194 1.00 0.00 C ATOM 513 C MET A 32 5.832 14.236 -11.915 1.00 0.00 C ATOM 514 O MET A 32 5.010 14.615 -12.745 1.00 0.00 O ATOM 515 CB MET A 32 7.905 13.251 -12.945 1.00 0.00 C ATOM 516 CG MET A 32 9.171 13.603 -13.725 1.00 0.00 C ATOM 517 SD MET A 32 9.483 12.420 -15.048 1.00 0.00 S ATOM 518 CE MET A 32 10.946 11.621 -14.379 1.00 0.00 C ATOM 0 H MET A 32 8.660 13.720 -10.760 1.00 0.00 H new ATOM 0 HA MET A 32 7.407 15.349 -12.779 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.130 12.452 -12.239 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.155 12.865 -13.635 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.074 14.604 -14.146 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.024 13.624 -13.046 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.287 10.850 -15.070 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.735 12.361 -14.243 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.705 11.167 -13.418 1.00 0.00 H new ATOM 528 N ASN A 33 5.529 13.669 -10.724 1.00 0.00 N ATOM 529 CA ASN A 33 4.112 13.558 -10.388 1.00 0.00 C ATOM 530 C ASN A 33 3.907 13.702 -8.854 1.00 0.00 C ATOM 531 O ASN A 33 4.816 14.048 -8.115 1.00 0.00 O ATOM 532 CB ASN A 33 3.712 12.145 -10.855 1.00 0.00 C ATOM 533 CG ASN A 33 3.750 11.950 -12.359 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.497 11.139 -12.880 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.887 12.740 -13.004 1.00 0.00 N ATOM 0 H ASN A 33 6.193 13.311 -10.037 1.00 0.00 H new ATOM 0 HA ASN A 33 3.511 14.335 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.379 11.419 -10.389 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.705 11.928 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.814 12.693 -14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.301 13.390 -12.480 1.00 0.00 H new ATOM 542 N LYS A 34 2.687 13.296 -8.437 1.00 0.00 N ATOM 543 CA LYS A 34 2.281 13.401 -7.044 1.00 0.00 C ATOM 544 C LYS A 34 1.215 12.361 -6.747 1.00 0.00 C ATOM 545 O LYS A 34 0.957 11.488 -7.558 1.00 0.00 O ATOM 546 CB LYS A 34 1.816 14.845 -6.745 1.00 0.00 C ATOM 547 CG LYS A 34 0.657 15.311 -7.634 1.00 0.00 C ATOM 548 CD LYS A 34 1.199 16.236 -8.706 1.00 0.00 C ATOM 549 CE LYS A 34 0.212 16.489 -9.850 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.104 16.882 -9.360 1.00 0.00 N ATOM 0 H LYS A 34 1.979 12.896 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 34 3.123 13.195 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.512 14.911 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.659 15.524 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.164 14.453 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.093 15.827 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.467 17.189 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.115 15.809 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.604 17.270 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.119 15.587 -10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.694 17.190 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.555 16.072 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.003 17.665 -8.683 1.00 0.00 H new ATOM 564 N ALA A 35 0.490 12.667 -5.648 1.00 0.00 N ATOM 565 CA ALA A 35 -0.583 11.837 -5.097 1.00 0.00 C ATOM 566 C ALA A 35 -1.530 11.354 -6.204 1.00 0.00 C ATOM 567 O ALA A 35 -2.443 12.066 -6.608 1.00 0.00 O ATOM 568 CB ALA A 35 -1.351 12.585 -3.970 1.00 0.00 C ATOM 0 H ALA A 35 0.646 13.521 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.128 10.954 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.141 11.943 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.660 12.839 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.790 13.498 -4.373 1.00 0.00 H new ATOM 574 N GLY A 36 -1.289 10.084 -6.623 1.00 0.00 N ATOM 575 CA GLY A 36 -2.093 9.544 -7.712 1.00 0.00 C ATOM 576 C GLY A 36 -1.336 8.589 -8.605 1.00 0.00 C ATOM 577 O GLY A 36 -1.881 7.686 -9.208 1.00 0.00 O ATOM 0 H GLY A 36 -0.582 9.457 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.958 9.029 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.474 10.368 -8.315 1.00 0.00 H new ATOM 581 N SER A 37 -0.062 8.956 -8.752 1.00 0.00 N ATOM 582 CA SER A 37 0.831 8.083 -9.487 1.00 0.00 C ATOM 583 C SER A 37 0.920 6.830 -8.603 1.00 0.00 C ATOM 584 O SER A 37 1.023 6.930 -7.372 1.00 0.00 O ATOM 585 CB SER A 37 2.186 8.745 -9.779 1.00 0.00 C ATOM 586 OG SER A 37 2.531 9.237 -8.408 1.00 0.00 O ATOM 0 H SER A 37 0.354 9.813 -8.388 1.00 0.00 H new ATOM 0 HA SER A 37 0.469 7.839 -10.486 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.921 8.039 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.108 9.554 -10.505 1.00 0.00 H new ATOM 0 HG SER A 37 2.103 8.664 -7.738 1.00 0.00 H new ATOM 592 N PHE A 38 0.920 5.667 -9.305 1.00 0.00 N ATOM 593 CA PHE A 38 0.937 4.411 -8.538 1.00 0.00 C ATOM 594 C PHE A 38 1.895 3.358 -9.133 1.00 0.00 C ATOM 595 O PHE A 38 2.414 3.485 -10.229 1.00 0.00 O ATOM 596 CB PHE A 38 -0.421 3.643 -8.685 1.00 0.00 C ATOM 597 CG PHE A 38 -1.634 4.475 -8.913 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.257 5.101 -7.851 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.161 4.579 -10.189 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.418 5.806 -8.074 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.333 5.267 -10.413 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.966 5.858 -9.342 1.00 0.00 C ATOM 0 H PHE A 38 0.909 5.578 -10.321 1.00 0.00 H new ATOM 0 HA PHE A 38 1.196 4.733 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.328 2.941 -9.514 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.578 3.052 -7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.838 5.038 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.647 4.115 -11.018 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.902 6.320 -7.256 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.747 5.341 -11.408 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.905 6.370 -9.495 1.00 0.00 H new ATOM 612 N LEU A 39 2.011 2.292 -8.312 1.00 0.00 N ATOM 613 CA LEU A 39 2.790 1.110 -8.670 1.00 0.00 C ATOM 614 C LEU A 39 2.193 -0.020 -7.847 1.00 0.00 C ATOM 615 O LEU A 39 2.126 0.144 -6.645 1.00 0.00 O ATOM 616 CB LEU A 39 4.286 1.169 -8.344 1.00 0.00 C ATOM 617 CG LEU A 39 4.902 2.547 -8.388 1.00 0.00 C ATOM 618 CD1 LEU A 39 6.047 2.510 -7.384 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.358 2.996 -9.796 1.00 0.00 C ATOM 0 H LEU A 39 1.569 2.236 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 39 2.736 0.997 -9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.441 0.751 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.820 0.528 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 39 4.158 3.300 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.543 3.480 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.655 2.280 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.764 1.743 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.788 3.996 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.107 2.300 -10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.501 3.009 -10.469 1.00 0.00 H new ATOM 631 N ILE A 40 1.809 -1.163 -8.495 1.00 0.00 N ATOM 632 CA ILE A 40 1.235 -2.124 -7.594 1.00 0.00 C ATOM 633 C ILE A 40 2.355 -3.207 -7.755 1.00 0.00 C ATOM 634 O ILE A 40 2.355 -3.988 -8.692 1.00 0.00 O ATOM 635 CB ILE A 40 -0.217 -2.443 -8.045 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.094 -2.890 -6.885 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.335 -3.691 -8.937 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.520 -2.314 -7.086 1.00 0.00 C ATOM 0 H ILE A 40 1.881 -1.394 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 40 1.050 -1.890 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.508 -1.513 -8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.130 -3.978 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.676 -2.542 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.379 -3.846 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.259 -3.550 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.032 -4.562 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.159 -2.628 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.472 -1.225 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.933 -2.684 -8.025 1.00 0.00 H new ATOM 650 N ARG A 41 3.321 -3.188 -6.793 1.00 0.00 N ATOM 651 CA ARG A 41 4.426 -4.109 -6.929 1.00 0.00 C ATOM 652 C ARG A 41 4.078 -5.371 -6.141 1.00 0.00 C ATOM 653 O ARG A 41 3.316 -5.337 -5.187 1.00 0.00 O ATOM 654 CB ARG A 41 5.683 -3.379 -6.397 1.00 0.00 C ATOM 655 CG ARG A 41 5.908 -3.438 -4.876 1.00 0.00 C ATOM 656 CD ARG A 41 6.853 -4.588 -4.467 1.00 0.00 C ATOM 657 NE ARG A 41 6.614 -5.002 -3.086 1.00 0.00 N ATOM 658 CZ ARG A 41 6.928 -4.210 -2.039 1.00 0.00 C ATOM 659 NH1 ARG A 41 7.530 -3.044 -2.226 1.00 0.00 N ATOM 660 NH2 ARG A 41 6.638 -4.596 -0.804 1.00 0.00 N ATOM 0 H ARG A 41 3.340 -2.578 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 41 4.621 -4.414 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.559 -3.801 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.623 -2.332 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.325 -2.490 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.949 -3.563 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.707 -5.437 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.889 -4.269 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 41 6.198 -5.916 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.762 -2.735 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.762 -2.455 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.177 -5.492 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.876 -3.997 -0.013 1.00 0.00 H new ATOM 674 N GLU A 42 4.682 -6.478 -6.598 1.00 0.00 N ATOM 675 CA GLU A 42 4.436 -7.767 -5.960 1.00 0.00 C ATOM 676 C GLU A 42 5.482 -8.099 -4.930 1.00 0.00 C ATOM 677 O GLU A 42 6.667 -7.917 -5.129 1.00 0.00 O ATOM 678 CB GLU A 42 4.303 -8.897 -6.996 1.00 0.00 C ATOM 679 CG GLU A 42 5.506 -9.053 -7.931 1.00 0.00 C ATOM 680 CD GLU A 42 5.097 -9.389 -9.387 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.187 -8.745 -9.910 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.698 -10.278 -9.991 1.00 0.00 O ATOM 0 H GLU A 42 5.328 -6.503 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 42 3.483 -7.679 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.145 -9.838 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.413 -8.716 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.086 -8.130 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.156 -9.841 -7.550 1.00 0.00 H new ATOM 689 N SER A 43 4.981 -8.632 -3.812 1.00 0.00 N ATOM 690 CA SER A 43 5.916 -9.060 -2.791 1.00 0.00 C ATOM 691 C SER A 43 6.479 -10.407 -3.283 1.00 0.00 C ATOM 692 O SER A 43 5.743 -11.383 -3.364 1.00 0.00 O ATOM 693 CB SER A 43 5.156 -9.307 -1.465 1.00 0.00 C ATOM 694 OG SER A 43 5.887 -9.361 -0.172 1.00 0.00 O ATOM 0 H SER A 43 3.992 -8.769 -3.604 1.00 0.00 H new ATOM 0 HA SER A 43 6.693 -8.315 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.403 -8.524 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.622 -10.251 -1.572 1.00 0.00 H new ATOM 0 HG SER A 43 5.301 -9.047 0.548 1.00 0.00 H new ATOM 700 N GLU A 44 7.769 -10.407 -3.651 1.00 0.00 N ATOM 701 CA GLU A 44 8.413 -11.620 -4.136 1.00 0.00 C ATOM 702 C GLU A 44 8.777 -12.610 -2.998 1.00 0.00 C ATOM 703 O GLU A 44 9.886 -13.126 -2.931 1.00 0.00 O ATOM 704 CB GLU A 44 9.655 -11.234 -4.924 1.00 0.00 C ATOM 705 CG GLU A 44 10.654 -10.405 -4.071 1.00 0.00 C ATOM 706 CD GLU A 44 12.092 -10.436 -4.637 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.375 -9.696 -5.580 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.909 -11.204 -4.121 1.00 0.00 O ATOM 0 H GLU A 44 8.374 -9.587 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 44 7.702 -12.143 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.149 -12.136 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.362 -10.657 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.311 -9.372 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.661 -10.790 -3.051 1.00 0.00 H new ATOM 715 N SER A 45 7.805 -12.830 -2.103 1.00 0.00 N ATOM 716 CA SER A 45 8.010 -13.722 -0.967 1.00 0.00 C ATOM 717 C SER A 45 6.743 -14.535 -0.660 1.00 0.00 C ATOM 718 O SER A 45 6.816 -15.677 -0.228 1.00 0.00 O ATOM 719 CB SER A 45 8.471 -12.896 0.266 1.00 0.00 C ATOM 720 OG SER A 45 7.448 -12.249 1.118 1.00 0.00 O ATOM 0 H SER A 45 6.879 -12.404 -2.147 1.00 0.00 H new ATOM 0 HA SER A 45 8.791 -14.439 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.060 -13.556 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.142 -12.116 -0.093 1.00 0.00 H new ATOM 0 HG SER A 45 7.888 -11.770 1.851 1.00 0.00 H new ATOM 726 N ASN A 46 5.585 -13.877 -0.875 1.00 0.00 N ATOM 727 CA ASN A 46 4.291 -14.515 -0.610 1.00 0.00 C ATOM 728 C ASN A 46 3.673 -15.053 -1.904 1.00 0.00 C ATOM 729 O ASN A 46 4.118 -14.756 -3.006 1.00 0.00 O ATOM 730 CB ASN A 46 3.291 -13.542 0.021 1.00 0.00 C ATOM 731 CG ASN A 46 3.449 -12.173 -0.556 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.441 -12.018 -1.767 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.591 -11.222 0.394 1.00 0.00 N ATOM 0 H ASN A 46 5.525 -12.921 -1.225 1.00 0.00 H new ATOM 0 HA ASN A 46 4.489 -15.330 0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.275 -13.898 -0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.442 -13.507 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.708 -10.245 0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.581 -11.481 1.381 1.00 0.00 H new ATOM 740 N LYS A 47 2.607 -15.850 -1.658 1.00 0.00 N ATOM 741 CA LYS A 47 1.797 -16.470 -2.708 1.00 0.00 C ATOM 742 C LYS A 47 0.971 -15.500 -3.547 1.00 0.00 C ATOM 743 O LYS A 47 -0.252 -15.469 -3.467 1.00 0.00 O ATOM 744 CB LYS A 47 0.954 -17.659 -2.231 1.00 0.00 C ATOM 745 CG LYS A 47 0.124 -17.288 -1.019 1.00 0.00 C ATOM 746 CD LYS A 47 0.908 -17.436 0.299 1.00 0.00 C ATOM 747 CE LYS A 47 0.221 -18.366 1.292 1.00 0.00 C ATOM 748 NZ LYS A 47 -0.827 -17.686 2.039 1.00 0.00 N ATOM 0 H LYS A 47 2.291 -16.076 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 47 2.555 -16.870 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.299 -17.991 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.607 -18.497 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.221 -16.259 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.764 -17.919 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.906 -17.816 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.033 -16.454 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.206 -19.215 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.960 -18.766 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.269 -18.353 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.416 -16.891 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.546 -17.327 1.379 1.00 0.00 H new ATOM 762 N GLY A 48 1.705 -14.711 -4.346 1.00 0.00 N ATOM 763 CA GLY A 48 0.986 -13.807 -5.216 1.00 0.00 C ATOM 764 C GLY A 48 0.377 -12.597 -4.512 1.00 0.00 C ATOM 765 O GLY A 48 -0.674 -12.121 -4.921 1.00 0.00 O ATOM 0 H GLY A 48 2.723 -14.685 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.664 -13.455 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.190 -14.360 -5.714 1.00 0.00 H new ATOM 769 N ALA A 49 1.091 -12.109 -3.467 1.00 0.00 N ATOM 770 CA ALA A 49 0.545 -10.924 -2.764 1.00 0.00 C ATOM 771 C ALA A 49 1.200 -9.684 -3.403 1.00 0.00 C ATOM 772 O ALA A 49 2.342 -9.714 -3.839 1.00 0.00 O ATOM 773 CB ALA A 49 0.794 -10.936 -1.218 1.00 0.00 C ATOM 0 H ALA A 49 1.973 -12.480 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.539 -10.921 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.366 -10.037 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.324 -11.817 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.866 -10.962 -1.022 1.00 0.00 H new ATOM 779 N PHE A 50 0.374 -8.616 -3.449 1.00 0.00 N ATOM 780 CA PHE A 50 0.749 -7.352 -4.076 1.00 0.00 C ATOM 781 C PHE A 50 0.760 -6.235 -3.012 1.00 0.00 C ATOM 782 O PHE A 50 0.359 -6.403 -1.867 1.00 0.00 O ATOM 783 CB PHE A 50 -0.193 -7.038 -5.282 1.00 0.00 C ATOM 784 CG PHE A 50 0.248 -7.607 -6.609 1.00 0.00 C ATOM 785 CD1 PHE A 50 1.074 -6.862 -7.440 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.223 -8.837 -7.066 1.00 0.00 C ATOM 787 CE1 PHE A 50 1.384 -7.293 -8.721 1.00 0.00 C ATOM 788 CE2 PHE A 50 0.115 -9.284 -8.339 1.00 0.00 C ATOM 789 CZ PHE A 50 0.898 -8.504 -9.175 1.00 0.00 C ATOM 0 H PHE A 50 -0.565 -8.616 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 50 1.756 -7.422 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.188 -7.420 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.282 -5.956 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.483 -5.929 -7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.851 -9.444 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.004 -6.684 -9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.236 -10.247 -8.679 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.127 -8.841 -10.175 1.00 0.00 H new ATOM 799 N SER A 51 1.256 -5.086 -3.499 1.00 0.00 N ATOM 800 CA SER A 51 1.434 -3.893 -2.703 1.00 0.00 C ATOM 801 C SER A 51 1.281 -2.660 -3.598 1.00 0.00 C ATOM 802 O SER A 51 1.940 -2.566 -4.613 1.00 0.00 O ATOM 803 CB SER A 51 2.842 -3.954 -2.032 1.00 0.00 C ATOM 804 OG SER A 51 3.043 -4.818 -0.835 1.00 0.00 O ATOM 0 H SER A 51 1.544 -4.973 -4.471 1.00 0.00 H new ATOM 0 HA SER A 51 0.680 -3.827 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.553 -4.277 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.115 -2.937 -1.751 1.00 0.00 H new ATOM 0 HG SER A 51 3.973 -4.750 -0.535 1.00 0.00 H new ATOM 810 N LEU A 52 0.412 -1.724 -3.175 1.00 0.00 N ATOM 811 CA LEU A 52 0.153 -0.504 -3.936 1.00 0.00 C ATOM 812 C LEU A 52 0.819 0.699 -3.243 1.00 0.00 C ATOM 813 O LEU A 52 0.664 0.959 -2.060 1.00 0.00 O ATOM 814 CB LEU A 52 -1.394 -0.394 -3.934 1.00 0.00 C ATOM 815 CG LEU A 52 -2.023 0.892 -4.501 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.733 0.994 -6.000 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.544 0.936 -4.227 1.00 0.00 C ATOM 0 H LEU A 52 -0.120 -1.796 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 52 0.557 -0.522 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.790 -1.238 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.737 -0.509 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.576 1.749 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.180 1.906 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.655 1.019 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.157 0.130 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.961 1.855 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.023 0.077 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.721 0.907 -3.152 1.00 0.00 H new ATOM 829 N SER A 53 1.598 1.382 -4.103 1.00 0.00 N ATOM 830 CA SER A 53 2.375 2.562 -3.787 1.00 0.00 C ATOM 831 C SER A 53 1.639 3.767 -4.335 1.00 0.00 C ATOM 832 O SER A 53 1.289 3.804 -5.501 1.00 0.00 O ATOM 833 CB SER A 53 3.787 2.437 -4.400 1.00 0.00 C ATOM 834 OG SER A 53 4.228 1.185 -3.707 1.00 0.00 O ATOM 0 H SER A 53 1.697 1.101 -5.078 1.00 0.00 H new ATOM 0 HA SER A 53 2.495 2.673 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.768 2.334 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.423 3.292 -4.172 1.00 0.00 H new ATOM 0 HG SER A 53 5.136 0.955 -3.994 1.00 0.00 H new ATOM 840 N VAL A 54 1.472 4.762 -3.459 1.00 0.00 N ATOM 841 CA VAL A 54 0.802 5.976 -3.901 1.00 0.00 C ATOM 842 C VAL A 54 1.576 7.103 -3.278 1.00 0.00 C ATOM 843 O VAL A 54 2.054 6.942 -2.165 1.00 0.00 O ATOM 844 CB VAL A 54 -0.666 6.052 -3.418 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.365 7.275 -4.039 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.423 4.777 -3.792 1.00 0.00 C ATOM 0 H VAL A 54 1.777 4.752 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 54 0.774 6.013 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.666 6.152 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.398 7.319 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.843 8.184 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.350 7.190 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.453 4.850 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.414 4.653 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.942 3.918 -3.324 1.00 0.00 H new ATOM 856 N LYS A 55 1.642 8.254 -3.970 1.00 0.00 N ATOM 857 CA LYS A 55 2.410 9.274 -3.274 1.00 0.00 C ATOM 858 C LYS A 55 1.563 9.949 -2.176 1.00 0.00 C ATOM 859 O LYS A 55 0.560 10.595 -2.485 1.00 0.00 O ATOM 860 CB LYS A 55 2.860 10.209 -4.375 1.00 0.00 C ATOM 861 CG LYS A 55 3.741 11.398 -3.958 1.00 0.00 C ATOM 862 CD LYS A 55 4.931 11.530 -4.906 1.00 0.00 C ATOM 863 CE LYS A 55 5.757 12.787 -4.707 1.00 0.00 C ATOM 864 NZ LYS A 55 6.518 13.167 -5.895 1.00 0.00 N ATOM 0 H LYS A 55 1.235 8.478 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 55 3.270 8.884 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.407 9.624 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.972 10.601 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.154 12.316 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.094 11.258 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.578 10.662 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.566 11.509 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.097 13.608 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.445 12.635 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.398 13.640 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.747 12.316 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.951 13.815 -6.478 1.00 0.00 H new ATOM 878 N ASP A 56 2.039 9.883 -0.902 1.00 0.00 N ATOM 879 CA ASP A 56 1.222 10.558 0.108 1.00 0.00 C ATOM 880 C ASP A 56 1.950 11.850 0.450 1.00 0.00 C ATOM 881 O ASP A 56 3.135 11.910 0.718 1.00 0.00 O ATOM 882 CB ASP A 56 1.041 9.650 1.336 1.00 0.00 C ATOM 883 CG ASP A 56 0.677 10.392 2.641 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.218 11.238 2.618 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.304 10.128 3.666 1.00 0.00 O ATOM 0 H ASP A 56 2.891 9.420 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 56 0.219 10.779 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.261 8.921 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.963 9.092 1.497 1.00 0.00 H new ATOM 890 N ILE A 57 1.118 12.896 0.302 1.00 0.00 N ATOM 891 CA ILE A 57 1.536 14.264 0.531 1.00 0.00 C ATOM 892 C ILE A 57 0.873 14.803 1.802 1.00 0.00 C ATOM 893 O ILE A 57 -0.327 14.670 2.008 1.00 0.00 O ATOM 894 CB ILE A 57 1.232 15.125 -0.690 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.729 14.450 -1.981 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.891 16.506 -0.525 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.508 15.329 -3.195 1.00 0.00 C ATOM 0 H ILE A 57 0.142 12.803 0.021 1.00 0.00 H new ATOM 0 HA ILE A 57 2.615 14.296 0.682 1.00 0.00 H new ATOM 0 HB ILE A 57 0.152 15.245 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.790 14.221 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.209 13.502 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.673 17.120 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.498 16.992 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.970 16.385 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.872 14.817 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.444 15.537 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.049 16.267 -3.069 1.00 0.00 H new ATOM 909 N THR A 58 1.758 15.326 2.667 1.00 0.00 N ATOM 910 CA THR A 58 1.354 15.925 3.935 1.00 0.00 C ATOM 911 C THR A 58 2.096 17.247 4.120 1.00 0.00 C ATOM 912 O THR A 58 3.048 17.545 3.412 1.00 0.00 O ATOM 913 CB THR A 58 1.532 14.912 5.082 1.00 0.00 C ATOM 914 OG1 THR A 58 1.038 15.535 6.319 1.00 0.00 O ATOM 915 CG2 THR A 58 2.940 14.219 4.944 1.00 0.00 C ATOM 0 H THR A 58 2.764 15.342 2.502 1.00 0.00 H new ATOM 0 HA THR A 58 0.292 16.170 3.939 1.00 0.00 H new ATOM 0 HB THR A 58 0.913 14.015 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.140 14.907 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.073 13.501 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.999 13.702 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.724 14.974 4.997 1.00 0.00 H new ATOM 923 N THR A 59 1.589 18.028 5.097 1.00 0.00 N ATOM 924 CA THR A 59 2.195 19.317 5.443 1.00 0.00 C ATOM 925 C THR A 59 3.614 19.110 6.025 1.00 0.00 C ATOM 926 O THR A 59 4.323 20.084 6.286 1.00 0.00 O ATOM 927 CB THR A 59 1.308 20.185 6.409 1.00 0.00 C ATOM 928 OG1 THR A 59 1.562 21.613 6.626 1.00 0.00 O ATOM 929 CG2 THR A 59 1.184 19.493 7.782 1.00 0.00 C ATOM 0 H THR A 59 0.768 17.785 5.652 1.00 0.00 H new ATOM 0 HA THR A 59 2.269 19.884 4.515 1.00 0.00 H new ATOM 0 HB THR A 59 0.393 20.222 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.903 21.970 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.568 20.103 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.721 18.514 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.175 19.372 8.219 1.00 0.00 H new ATOM 937 N GLN A 60 3.985 17.790 6.250 1.00 0.00 N ATOM 938 CA GLN A 60 5.298 17.501 6.837 1.00 0.00 C ATOM 939 C GLN A 60 6.291 17.226 5.680 1.00 0.00 C ATOM 940 O GLN A 60 7.150 18.049 5.412 1.00 0.00 O ATOM 941 CB GLN A 60 5.201 16.278 7.811 1.00 0.00 C ATOM 942 CG GLN A 60 4.406 16.599 9.076 1.00 0.00 C ATOM 943 CD GLN A 60 5.292 17.104 10.235 1.00 0.00 C ATOM 944 OE1 GLN A 60 6.470 16.791 10.346 1.00 0.00 O ATOM 945 NE2 GLN A 60 4.639 17.894 11.104 1.00 0.00 N ATOM 0 H GLN A 60 3.410 16.975 6.038 1.00 0.00 H new ATOM 0 HA GLN A 60 5.650 18.350 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.732 15.442 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.205 15.958 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.655 17.355 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.871 15.706 9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.655 18.116 10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.127 18.272 11.916 1.00 0.00 H new ATOM 954 N GLY A 61 6.114 16.068 5.029 1.00 0.00 N ATOM 955 CA GLY A 61 7.014 15.673 3.935 1.00 0.00 C ATOM 956 C GLY A 61 6.288 14.849 2.875 1.00 0.00 C ATOM 957 O GLY A 61 5.239 14.271 3.117 1.00 0.00 O ATOM 0 H GLY A 61 5.371 15.400 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.440 16.564 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.845 15.095 4.339 1.00 0.00 H new ATOM 961 N GLU A 62 6.905 14.860 1.679 1.00 0.00 N ATOM 962 CA GLU A 62 6.392 14.121 0.540 1.00 0.00 C ATOM 963 C GLU A 62 6.908 12.671 0.642 1.00 0.00 C ATOM 964 O GLU A 62 8.107 12.428 0.706 1.00 0.00 O ATOM 965 CB GLU A 62 6.964 14.778 -0.720 1.00 0.00 C ATOM 966 CG GLU A 62 6.004 14.618 -1.886 1.00 0.00 C ATOM 967 CD GLU A 62 6.543 15.285 -3.165 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.672 14.986 -3.560 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.817 16.072 -3.770 1.00 0.00 O ATOM 0 H GLU A 62 7.762 15.379 1.489 1.00 0.00 H new ATOM 0 HA GLU A 62 5.302 14.123 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.147 15.836 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.925 14.327 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.833 13.558 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.040 15.056 -1.626 1.00 0.00 H new ATOM 976 N VAL A 63 5.937 11.738 0.669 1.00 0.00 N ATOM 977 CA VAL A 63 6.230 10.317 0.817 1.00 0.00 C ATOM 978 C VAL A 63 5.379 9.490 -0.159 1.00 0.00 C ATOM 979 O VAL A 63 4.656 10.028 -0.983 1.00 0.00 O ATOM 980 CB VAL A 63 5.938 9.925 2.285 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.659 10.859 3.268 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.422 9.865 2.597 1.00 0.00 C ATOM 0 H VAL A 63 4.943 11.953 0.589 1.00 0.00 H new ATOM 0 HA VAL A 63 7.275 10.115 0.582 1.00 0.00 H new ATOM 0 HB VAL A 63 6.331 8.917 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.433 10.556 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.735 10.801 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.322 11.884 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.276 9.585 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.975 10.843 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.947 9.125 1.953 1.00 0.00 H new ATOM 992 N VAL A 64 5.516 8.149 -0.008 1.00 0.00 N ATOM 993 CA VAL A 64 4.701 7.187 -0.755 1.00 0.00 C ATOM 994 C VAL A 64 3.756 6.573 0.281 1.00 0.00 C ATOM 995 O VAL A 64 3.603 7.107 1.363 1.00 0.00 O ATOM 996 CB VAL A 64 5.625 6.215 -1.537 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.973 5.105 -2.379 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.381 7.024 -2.562 1.00 0.00 C ATOM 0 H VAL A 64 6.187 7.719 0.628 1.00 0.00 H new ATOM 0 HA VAL A 64 4.084 7.616 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 64 6.194 5.731 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.749 4.512 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.375 4.462 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.333 5.553 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.041 6.367 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.675 7.503 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.974 7.787 -2.058 1.00 0.00 H new ATOM 1008 N LYS A 65 3.112 5.470 -0.097 1.00 0.00 N ATOM 1009 CA LYS A 65 2.249 4.677 0.774 1.00 0.00 C ATOM 1010 C LYS A 65 2.406 3.214 0.427 1.00 0.00 C ATOM 1011 O LYS A 65 2.894 2.902 -0.642 1.00 0.00 O ATOM 1012 CB LYS A 65 0.790 5.120 0.705 1.00 0.00 C ATOM 1013 CG LYS A 65 0.574 6.280 1.666 1.00 0.00 C ATOM 1014 CD LYS A 65 0.708 5.868 3.148 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.643 5.838 3.838 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.077 7.161 4.271 1.00 0.00 N ATOM 0 H LYS A 65 3.178 5.094 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 65 2.558 4.836 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.537 5.422 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.133 4.290 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.296 7.066 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.417 6.702 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.174 4.885 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.366 6.567 3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.385 5.420 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.592 5.175 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.629 7.075 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.245 7.760 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.667 7.592 3.531 1.00 0.00 H new ATOM 1030 N HIS A 66 1.904 2.337 1.321 1.00 0.00 N ATOM 1031 CA HIS A 66 1.983 0.912 1.041 1.00 0.00 C ATOM 1032 C HIS A 66 0.675 0.245 1.514 1.00 0.00 C ATOM 1033 O HIS A 66 0.501 -0.042 2.691 1.00 0.00 O ATOM 1034 CB HIS A 66 3.170 0.272 1.802 1.00 0.00 C ATOM 1035 CG HIS A 66 4.472 0.385 1.038 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.989 1.536 0.574 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.349 -0.655 0.683 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.131 1.215 -0.048 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.379 -0.104 0.004 1.00 0.00 N ATOM 0 H HIS A 66 1.460 2.588 2.204 1.00 0.00 H new ATOM 0 HA HIS A 66 2.130 0.767 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.278 0.755 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.953 -0.779 1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.222 -1.703 0.911 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.776 1.932 -0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.183 -0.592 -0.390 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.196 -0.025 0.528 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.484 -0.678 0.776 1.00 0.00 C ATOM 1049 C TYR A 67 -1.340 -2.066 0.175 1.00 0.00 C ATOM 1050 O TYR A 67 -1.469 -2.288 -1.020 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.616 0.033 0.029 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.967 1.313 0.708 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.720 1.266 1.868 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.511 2.532 0.235 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.987 2.404 2.601 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.792 3.695 0.937 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.511 3.651 2.138 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.659 4.865 2.811 1.00 0.00 O ATOM 0 H TYR A 67 -0.027 0.202 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.721 -0.674 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.313 0.231 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.492 -0.614 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.108 0.317 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.937 2.577 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.554 2.342 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.452 4.646 0.553 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.451 5.604 2.202 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.070 -2.979 1.113 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.846 -4.361 0.753 1.00 0.00 C ATOM 1070 C LYS A 68 -2.164 -5.059 0.405 1.00 0.00 C ATOM 1071 O LYS A 68 -3.088 -5.124 1.200 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.069 -5.068 1.871 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.949 -5.401 3.063 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.612 -6.788 2.896 1.00 0.00 C ATOM 1075 CE LYS A 68 -0.943 -7.847 3.754 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.235 -7.628 5.162 1.00 0.00 N ATOM 0 H LYS A 68 -1.004 -2.779 2.111 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.235 -4.408 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.372 -5.985 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.754 -4.432 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.352 -5.387 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.719 -4.638 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.667 -6.720 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.566 -7.088 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.289 -8.836 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.135 -7.825 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.057 -8.504 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.625 -6.870 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.232 -7.353 5.271 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.208 -5.507 -0.853 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.324 -6.302 -1.352 1.00 0.00 C ATOM 1092 C ILE A 69 -3.020 -7.774 -1.102 1.00 0.00 C ATOM 1093 O ILE A 69 -1.949 -8.282 -1.407 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.647 -6.024 -2.839 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.476 -5.624 -3.721 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.852 -5.178 -3.100 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.229 -4.108 -3.868 1.00 0.00 C ATOM 0 H ILE A 69 -1.479 -5.330 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.225 -6.015 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.916 -7.031 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.572 -6.083 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.634 -6.045 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.981 -5.050 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.735 -5.664 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.720 -4.203 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.370 -3.941 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.110 -3.636 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.032 -3.675 -2.887 1.00 0.00 H new ATOM 1109 N ARG A 70 -4.034 -8.402 -0.507 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.962 -9.819 -0.204 1.00 0.00 C ATOM 1111 C ARG A 70 -4.641 -10.521 -1.354 1.00 0.00 C ATOM 1112 O ARG A 70 -5.593 -9.996 -1.895 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.673 -10.121 1.113 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.699 -9.915 2.271 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.001 -10.962 3.327 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.630 -10.488 4.658 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.631 -11.289 5.744 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.975 -12.566 5.646 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.290 -10.801 6.930 1.00 0.00 N ATOM 0 H ARG A 70 -4.906 -7.951 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.931 -10.154 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.538 -9.469 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.044 -11.146 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.670 -10.008 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.806 -8.913 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.063 -11.207 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.458 -11.879 3.100 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.359 -9.511 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.243 -12.954 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.971 -13.160 6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.027 -9.820 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.291 -11.407 7.750 1.00 0.00 H new ATOM 1133 N SER A 71 -4.106 -11.706 -1.690 1.00 0.00 N ATOM 1134 CA SER A 71 -4.643 -12.461 -2.805 1.00 0.00 C ATOM 1135 C SER A 71 -5.354 -13.688 -2.260 1.00 0.00 C ATOM 1136 O SER A 71 -4.757 -14.580 -1.666 1.00 0.00 O ATOM 1137 CB SER A 71 -3.478 -12.919 -3.725 1.00 0.00 C ATOM 1138 OG SER A 71 -2.286 -13.539 -3.102 1.00 0.00 O ATOM 0 H SER A 71 -3.320 -12.144 -1.210 1.00 0.00 H new ATOM 0 HA SER A 71 -5.337 -11.843 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.884 -13.631 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.142 -12.050 -4.291 1.00 0.00 H new ATOM 0 HG SER A 71 -1.927 -14.229 -3.698 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.689 -13.622 -2.447 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.587 -14.666 -2.004 1.00 0.00 C ATOM 1146 C LEU A 72 -7.898 -15.616 -3.144 1.00 0.00 C ATOM 1147 O LEU A 72 -8.048 -15.221 -4.296 1.00 0.00 O ATOM 1148 CB LEU A 72 -8.862 -14.058 -1.411 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.619 -12.742 -0.694 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.404 -12.847 0.244 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.606 -11.562 -1.688 1.00 0.00 C ATOM 0 H LEU A 72 -7.155 -12.841 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.099 -15.242 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.587 -13.901 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.305 -14.768 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.454 -12.519 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.249 -11.892 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.584 -13.624 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.517 -13.099 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.430 -10.632 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.812 -11.712 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.567 -11.507 -2.200 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.036 -16.880 -2.713 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.356 -17.941 -3.667 1.00 0.00 C ATOM 1165 C ASP A 73 -9.742 -17.757 -4.314 1.00 0.00 C ATOM 1166 O ASP A 73 -9.977 -18.181 -5.439 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.374 -19.313 -2.987 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.346 -19.379 -1.790 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -8.979 -18.931 -0.706 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -10.461 -19.870 -1.966 1.00 0.00 O ATOM 0 H ASP A 73 -7.934 -17.181 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.577 -17.884 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.654 -20.071 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.368 -19.556 -2.645 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.606 -17.057 -3.550 1.00 0.00 N ATOM 1176 CA ASN A 74 -11.973 -16.828 -3.999 1.00 0.00 C ATOM 1177 C ASN A 74 -12.454 -15.424 -3.600 1.00 0.00 C ATOM 1178 O ASN A 74 -13.590 -15.206 -3.197 1.00 0.00 O ATOM 1179 CB ASN A 74 -12.913 -17.881 -3.383 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.935 -17.884 -1.837 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.261 -17.110 -1.170 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.764 -18.801 -1.315 1.00 0.00 N ATOM 0 H ASN A 74 -10.378 -16.653 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.990 -16.910 -5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.925 -17.707 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.613 -18.869 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.861 -18.883 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.297 -19.416 -1.930 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.495 -14.500 -3.769 1.00 0.00 N ATOM 1190 CA GLY A 75 -11.770 -13.104 -3.445 1.00 0.00 C ATOM 1191 C GLY A 75 -10.868 -12.095 -4.150 1.00 0.00 C ATOM 1192 O GLY A 75 -10.886 -10.918 -3.842 1.00 0.00 O ATOM 0 H GLY A 75 -10.555 -14.690 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.807 -12.884 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.671 -12.969 -2.368 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.069 -12.599 -5.097 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.161 -11.784 -5.880 1.00 0.00 C ATOM 1198 C GLY A 76 -8.144 -11.022 -5.048 1.00 0.00 C ATOM 1199 O GLY A 76 -7.098 -11.541 -4.682 1.00 0.00 O ATOM 0 H GLY A 76 -10.041 -13.590 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.632 -12.424 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.742 -11.073 -6.467 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.558 -9.775 -4.714 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.710 -8.888 -3.946 1.00 0.00 C ATOM 1205 C TYR A 77 -8.591 -8.114 -2.979 1.00 0.00 C ATOM 1206 O TYR A 77 -9.735 -7.784 -3.256 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.894 -7.946 -4.856 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.988 -8.724 -5.766 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.437 -9.161 -7.001 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.701 -9.030 -5.372 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.645 -9.917 -7.847 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.882 -9.796 -6.195 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.340 -10.256 -7.435 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.482 -11.069 -8.171 1.00 0.00 O ATOM 0 H TYR A 77 -9.464 -9.383 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.977 -9.472 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.571 -7.332 -5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.302 -7.266 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.438 -8.903 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.329 -8.674 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.020 -10.242 -8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.880 -10.039 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.632 -11.165 -7.693 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.955 -7.847 -1.820 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.666 -7.112 -0.759 1.00 0.00 C ATOM 1226 C TYR A 78 -7.666 -6.359 0.123 1.00 0.00 C ATOM 1227 O TYR A 78 -6.554 -6.807 0.362 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.595 -8.020 0.094 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.038 -8.539 1.413 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.098 -7.719 2.542 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.502 -9.824 1.559 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.633 -8.128 3.777 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.048 -10.253 2.812 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.085 -9.404 3.925 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.594 -9.835 5.155 1.00 0.00 O ATOM 0 H TYR A 78 -6.995 -8.115 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.320 -6.393 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.508 -7.464 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.880 -8.879 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.523 -6.731 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.439 -10.484 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.693 -7.463 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.663 -11.256 2.922 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.252 -10.749 5.069 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.101 -5.116 0.442 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.279 -4.228 1.309 1.00 0.00 C ATOM 1247 C ILE A 79 -7.994 -3.955 2.617 1.00 0.00 C ATOM 1248 O ILE A 79 -7.450 -4.122 3.703 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.684 -2.987 0.623 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.578 -2.474 -0.462 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.276 -3.062 0.119 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -7.034 -1.183 -1.167 1.00 0.00 C ATOM 0 H ILE A 79 -8.984 -4.713 0.127 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.372 -4.784 1.545 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.624 -2.289 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.714 -3.256 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.561 -2.261 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.002 -2.111 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.603 -3.273 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.197 -3.857 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.734 -0.869 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.925 -0.386 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.065 -1.396 -1.618 1.00 0.00 H new ATOM 1264 N SER A 80 -9.269 -3.611 2.430 1.00 0.00 N ATOM 1265 CA SER A 80 -10.126 -3.350 3.561 1.00 0.00 C ATOM 1266 C SER A 80 -11.136 -4.484 3.390 1.00 0.00 C ATOM 1267 O SER A 80 -11.722 -4.625 2.327 1.00 0.00 O ATOM 1268 CB SER A 80 -10.808 -1.947 3.439 1.00 0.00 C ATOM 1269 OG SER A 80 -10.023 -0.689 3.402 1.00 0.00 O ATOM 0 H SER A 80 -9.715 -3.511 1.518 1.00 0.00 H new ATOM 0 HA SER A 80 -9.626 -3.324 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.409 -1.968 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.500 -1.861 4.277 1.00 0.00 H new ATOM 0 HG SER A 80 -10.632 0.074 3.322 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.325 -5.296 4.467 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.206 -6.451 4.402 1.00 0.00 C ATOM 1277 C PRO A 81 -13.690 -6.139 4.168 1.00 0.00 C ATOM 1278 O PRO A 81 -14.497 -7.046 4.010 1.00 0.00 O ATOM 1279 CB PRO A 81 -12.047 -7.094 5.790 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.994 -6.333 6.579 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.634 -5.144 5.735 1.00 0.00 C ATOM 0 HA PRO A 81 -11.930 -7.072 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.998 -7.078 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.756 -8.140 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.381 -6.022 7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.121 -6.957 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.931 -4.218 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.556 -5.092 5.582 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.987 -4.826 4.075 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.359 -4.403 3.797 1.00 0.00 C ATOM 1291 C ARG A 82 -15.593 -4.294 2.260 1.00 0.00 C ATOM 1292 O ARG A 82 -16.722 -4.200 1.803 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.672 -3.099 4.557 1.00 0.00 C ATOM 1294 CG ARG A 82 -15.342 -1.786 3.821 1.00 0.00 C ATOM 1295 CD ARG A 82 -16.589 -1.177 3.171 1.00 0.00 C ATOM 1296 NE ARG A 82 -16.300 0.146 2.630 1.00 0.00 N ATOM 1297 CZ ARG A 82 -17.284 1.018 2.329 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -18.562 0.695 2.500 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -16.972 2.212 1.853 1.00 0.00 N ATOM 0 H ARG A 82 -13.313 -4.068 4.186 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.060 -5.154 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.733 -3.094 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.123 -3.111 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.911 -1.072 4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.588 -1.976 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.945 -1.830 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.390 -1.106 3.907 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.329 0.419 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.811 -0.225 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.293 1.367 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.994 2.467 1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.710 2.878 1.623 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.457 -4.368 1.515 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.360 -4.251 0.059 1.00 0.00 C ATOM 1315 C ILE A 83 -13.190 -5.086 -0.555 1.00 0.00 C ATOM 1316 O ILE A 83 -11.984 -4.898 -0.329 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.312 -2.807 -0.392 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.196 -2.035 0.296 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.664 -2.100 -0.203 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.265 -0.602 -0.205 1.00 0.00 C ATOM 0 H ILE A 83 -13.546 -4.519 1.949 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.279 -4.688 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.095 -2.823 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.315 -2.070 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.226 -2.476 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.584 -1.066 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.428 -2.614 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.940 -2.118 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.478 -0.013 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.130 -0.588 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.236 -0.175 0.045 1.00 0.00 H new ATOM 1332 N THR A 84 -13.719 -6.057 -1.341 1.00 0.00 N ATOM 1333 CA THR A 84 -12.913 -7.033 -2.078 1.00 0.00 C ATOM 1334 C THR A 84 -13.182 -6.822 -3.609 1.00 0.00 C ATOM 1335 O THR A 84 -14.221 -6.309 -3.996 1.00 0.00 O ATOM 1336 CB THR A 84 -13.409 -8.453 -1.626 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.903 -8.674 -0.256 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.298 -9.493 -1.905 1.00 0.00 C ATOM 0 H THR A 84 -14.723 -6.176 -1.475 1.00 0.00 H new ATOM 0 HA THR A 84 -11.845 -6.927 -1.888 1.00 0.00 H new ATOM 0 HB THR A 84 -14.314 -8.559 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.170 -9.611 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.637 -10.481 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.072 -9.507 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.400 -9.225 -1.348 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.212 -7.291 -4.428 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.264 -7.173 -5.903 1.00 0.00 C ATOM 1348 C PHE A 85 -11.714 -8.474 -6.530 1.00 0.00 C ATOM 1349 O PHE A 85 -11.124 -9.274 -5.829 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.462 -5.923 -6.282 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.167 -4.689 -5.767 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.322 -4.227 -6.397 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.702 -4.007 -4.641 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.012 -3.125 -5.898 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.386 -2.902 -4.146 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.553 -2.469 -4.762 1.00 0.00 C ATOM 0 H PHE A 85 -11.374 -7.761 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.279 -7.055 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.458 -5.982 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.351 -5.865 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.685 -4.729 -7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.801 -4.341 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.906 -2.779 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.009 -2.379 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.100 -1.628 -4.361 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.879 -8.665 -7.866 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.346 -9.866 -8.537 1.00 0.00 C ATOM 1368 C PRO A 86 -9.873 -9.684 -8.947 1.00 0.00 C ATOM 1369 O PRO A 86 -9.057 -10.575 -8.750 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.170 -9.965 -9.850 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.036 -8.698 -9.954 1.00 0.00 C ATOM 1372 CD PRO A 86 -12.888 -7.944 -8.638 1.00 0.00 C ATOM 0 HA PRO A 86 -11.411 -10.734 -7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.508 -10.048 -10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.796 -10.857 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.713 -8.079 -10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.079 -8.958 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.581 -6.913 -8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.836 -7.908 -8.101 1.00 0.00 H new ATOM 1380 N THR A 87 -9.565 -8.477 -9.459 1.00 0.00 N ATOM 1381 CA THR A 87 -8.195 -8.161 -9.867 1.00 0.00 C ATOM 1382 C THR A 87 -7.923 -6.789 -9.290 1.00 0.00 C ATOM 1383 O THR A 87 -8.820 -6.085 -8.840 1.00 0.00 O ATOM 1384 CB THR A 87 -7.942 -8.207 -11.402 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.603 -7.603 -11.604 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.138 -7.535 -12.099 1.00 0.00 C ATOM 0 H THR A 87 -10.237 -7.722 -9.596 1.00 0.00 H new ATOM 0 HA THR A 87 -7.512 -8.923 -9.491 1.00 0.00 H new ATOM 0 HB THR A 87 -7.900 -9.199 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.580 -7.140 -12.467 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.987 -7.553 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.053 -8.073 -11.851 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.222 -6.502 -11.762 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.638 -6.416 -9.403 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.313 -5.128 -8.880 1.00 0.00 C ATOM 1396 C LEU A 88 -6.882 -4.087 -9.810 1.00 0.00 C ATOM 1397 O LEU A 88 -7.091 -2.999 -9.346 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.804 -4.827 -8.995 1.00 0.00 C ATOM 1399 CG LEU A 88 -3.925 -5.260 -7.846 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.364 -4.553 -6.603 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -3.923 -6.705 -7.518 1.00 0.00 C ATOM 0 H LEU A 88 -5.878 -6.954 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.675 -5.112 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.433 -5.303 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.683 -3.752 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.918 -5.011 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.734 -4.860 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.276 -3.476 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.402 -4.807 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.254 -6.886 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.932 -7.019 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.581 -7.274 -8.383 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.096 -4.386 -11.104 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.614 -3.267 -11.918 1.00 0.00 C ATOM 1415 C GLN A 89 -9.058 -2.874 -11.532 1.00 0.00 C ATOM 1416 O GLN A 89 -9.426 -1.708 -11.554 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.339 -3.534 -13.390 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.307 -4.509 -14.021 1.00 0.00 C ATOM 1419 CD GLN A 89 -7.623 -5.550 -14.897 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -6.781 -6.305 -14.183 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -7.839 -5.656 -16.096 1.00 0.00 N flip ATOM 0 H GLN A 89 -6.942 -5.281 -11.569 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.070 -2.350 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.379 -2.591 -13.935 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.326 -3.921 -13.497 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.867 -5.016 -13.235 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.030 -3.957 -14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.502 -5.030 -16.552 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.356 -6.371 -16.640 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.834 -3.922 -11.162 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.219 -3.699 -10.738 1.00 0.00 C ATOM 1432 C ALA A 90 -11.247 -3.056 -9.337 1.00 0.00 C ATOM 1433 O ALA A 90 -12.241 -2.488 -8.915 1.00 0.00 O ATOM 1434 CB ALA A 90 -11.934 -5.064 -10.635 1.00 0.00 C ATOM 0 H ALA A 90 -9.529 -4.895 -11.151 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.708 -3.046 -11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.966 -4.911 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.920 -5.556 -11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.421 -5.689 -9.905 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.103 -3.193 -8.642 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.910 -2.598 -7.331 1.00 0.00 C ATOM 1442 C LEU A 91 -9.614 -1.105 -7.485 1.00 0.00 C ATOM 1443 O LEU A 91 -10.241 -0.268 -6.855 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.835 -3.409 -6.594 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.963 -2.659 -5.574 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.582 -3.504 -4.344 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.717 -2.127 -6.287 1.00 0.00 C ATOM 0 H LEU A 91 -9.298 -3.719 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.807 -2.643 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.329 -4.231 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.176 -3.852 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.555 -1.834 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.967 -2.908 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.487 -3.821 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.022 -4.382 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.090 -1.593 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.156 -2.960 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.017 -1.449 -7.086 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.714 -0.831 -8.451 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.222 0.512 -8.681 1.00 0.00 C ATOM 1461 C VAL A 92 -9.331 1.390 -9.287 1.00 0.00 C ATOM 1462 O VAL A 92 -9.362 2.576 -9.036 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.987 0.492 -9.624 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -6.088 1.689 -9.480 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -6.000 -0.653 -9.456 1.00 0.00 C ATOM 0 H VAL A 92 -8.322 -1.534 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.919 0.933 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.516 0.427 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.250 1.600 -10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.650 2.595 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.711 1.740 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.189 -0.543 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.593 -0.637 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.510 -1.601 -9.626 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.230 0.747 -10.062 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.348 1.386 -10.740 1.00 0.00 C ATOM 1477 C GLN A 93 -12.295 1.986 -9.658 1.00 0.00 C ATOM 1478 O GLN A 93 -12.764 3.116 -9.737 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.113 0.442 -11.696 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.260 -0.386 -11.114 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.553 0.456 -10.972 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -15.158 0.537 -9.910 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.929 1.081 -12.105 1.00 0.00 N ATOM 0 H GLN A 93 -10.186 -0.258 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.952 2.173 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.515 1.044 -12.511 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.391 -0.247 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.453 -1.245 -11.757 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.970 -0.776 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.378 0.970 -12.956 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.765 1.665 -12.112 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.479 1.173 -8.583 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.407 1.574 -7.528 1.00 0.00 C ATOM 1494 C HIS A 94 -12.809 2.733 -6.736 1.00 0.00 C ATOM 1495 O HIS A 94 -13.443 3.766 -6.526 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.671 0.374 -6.612 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.853 0.665 -5.717 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -16.213 0.495 -6.029 1.00 0.00 N flip ATOM 1499 CD2 HIS A 94 -14.761 1.146 -4.457 1.00 0.00 C flip ATOM 1500 CE1 HIS A 94 -16.925 0.879 -4.945 1.00 0.00 C flip ATOM 1501 NE2 HIS A 94 -16.028 1.262 -4.019 1.00 0.00 N flip ATOM 0 H HIS A 94 -12.013 0.277 -8.439 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.350 1.903 -7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.866 -0.516 -7.210 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.788 0.165 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.859 1.387 -3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -18.000 0.878 -4.843 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.279 1.602 -3.091 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.522 2.523 -6.389 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.818 3.578 -5.677 1.00 0.00 C ATOM 1511 C TYR A 95 -10.514 4.758 -6.635 1.00 0.00 C ATOM 1512 O TYR A 95 -10.087 5.813 -6.192 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.515 3.079 -5.063 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.730 2.151 -3.908 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.137 2.650 -2.693 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.504 0.797 -4.019 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.358 1.835 -1.614 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.669 -0.058 -2.939 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.101 0.451 -1.699 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.247 -0.415 -0.608 1.00 0.00 O ATOM 0 H TYR A 95 -10.984 1.678 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.468 3.912 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.931 2.568 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.926 3.934 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.287 3.714 -2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.191 0.391 -4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.732 2.255 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.466 -1.113 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.486 -1.309 -0.930 1.00 0.00 H new ATOM 1530 N SER A 96 -10.747 4.529 -7.961 1.00 0.00 N ATOM 1531 CA SER A 96 -10.489 5.623 -8.909 1.00 0.00 C ATOM 1532 C SER A 96 -11.634 6.637 -8.902 1.00 0.00 C ATOM 1533 O SER A 96 -11.542 7.644 -9.590 1.00 0.00 O ATOM 1534 CB SER A 96 -10.245 5.136 -10.366 1.00 0.00 C ATOM 1535 OG SER A 96 -8.808 4.703 -10.378 1.00 0.00 O ATOM 0 H SER A 96 -11.089 3.657 -8.365 1.00 0.00 H new ATOM 0 HA SER A 96 -9.569 6.096 -8.564 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.910 4.313 -10.627 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.426 5.933 -11.087 1.00 0.00 H new ATOM 0 HG SER A 96 -8.747 3.765 -10.102 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.696 6.339 -8.126 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.796 7.287 -8.083 1.00 0.00 C ATOM 1543 C LYS A 97 -13.932 8.025 -6.791 1.00 0.00 C ATOM 1544 O LYS A 97 -14.504 9.108 -6.766 1.00 0.00 O ATOM 1545 CB LYS A 97 -15.129 6.564 -8.380 1.00 0.00 C ATOM 1546 CG LYS A 97 -15.607 6.269 -9.796 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.569 5.563 -10.643 1.00 0.00 C ATOM 1548 CE LYS A 97 -15.023 5.298 -12.076 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.053 4.468 -12.779 1.00 0.00 N ATOM 0 H LYS A 97 -12.803 5.499 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.563 8.030 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.086 5.607 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.914 7.151 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.506 5.655 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.886 7.205 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.660 6.165 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.312 4.614 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.995 4.804 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.150 6.244 -12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.380 4.299 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.133 4.953 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.952 3.558 -12.285 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.413 7.418 -5.741 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.523 8.072 -4.462 1.00 0.00 C ATOM 1565 C LYS A 98 -12.426 7.527 -3.586 1.00 0.00 C ATOM 1566 O LYS A 98 -11.815 6.513 -3.889 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.938 8.052 -3.845 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.166 6.824 -2.986 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.051 5.497 -3.748 1.00 0.00 C ATOM 1570 CE LYS A 98 -16.020 5.455 -4.919 1.00 0.00 C ATOM 1571 NZ LYS A 98 -16.318 4.093 -5.346 1.00 0.00 N ATOM 0 H LYS A 98 -12.934 6.517 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.378 9.146 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.083 8.948 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.681 8.080 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.444 6.826 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.157 6.887 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.031 5.369 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.256 4.667 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.947 5.956 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.598 6.011 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.308 4.037 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.689 3.830 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.170 3.440 -4.550 1.00 0.00 H new ATOM 1585 N GLY A 99 -12.226 8.249 -2.470 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.200 7.844 -1.524 1.00 0.00 C ATOM 1587 C GLY A 99 -11.478 6.449 -0.975 1.00 0.00 C ATOM 1588 O GLY A 99 -10.675 5.541 -1.110 1.00 0.00 O ATOM 0 H GLY A 99 -12.748 9.088 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.225 7.858 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.156 8.559 -0.703 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.639 6.360 -0.304 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.062 5.088 0.287 1.00 0.00 C ATOM 1594 C ASP A 100 -12.056 4.611 1.357 1.00 0.00 C ATOM 1595 O ASP A 100 -11.397 3.586 1.233 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.259 4.034 -0.814 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.158 2.859 -0.384 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -14.128 2.456 0.779 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -14.896 2.358 -1.227 1.00 0.00 O ATOM 0 H ASP A 100 -13.285 7.136 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.018 5.237 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.695 4.513 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.285 3.646 -1.113 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.942 5.478 2.376 1.00 0.00 N ATOM 1605 CA GLY A 101 -11.044 5.201 3.492 1.00 0.00 C ATOM 1606 C GLY A 101 -9.545 5.231 3.143 1.00 0.00 C ATOM 1607 O GLY A 101 -8.707 4.988 4.005 1.00 0.00 O ATOM 0 H GLY A 101 -12.453 6.358 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.233 5.930 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.287 4.220 3.900 1.00 0.00 H new ATOM 1611 N LEU A 102 -9.245 5.516 1.854 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.868 5.583 1.435 1.00 0.00 C ATOM 1613 C LEU A 102 -7.354 7.009 1.620 1.00 0.00 C ATOM 1614 O LEU A 102 -8.115 7.967 1.655 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.675 5.217 -0.045 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.660 3.722 -0.401 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.995 3.592 -1.774 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.914 2.827 0.603 1.00 0.00 C ATOM 0 H LEU A 102 -9.932 5.695 1.122 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.321 4.864 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.471 5.693 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.735 5.654 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.693 3.375 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.964 2.542 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.567 4.156 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.980 3.985 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.957 1.791 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.873 3.144 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.382 2.911 1.584 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.013 7.060 1.783 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.310 8.347 1.867 1.00 0.00 C ATOM 1632 C CYS A 103 -5.227 8.911 0.439 1.00 0.00 C ATOM 1633 O CYS A 103 -4.177 8.900 -0.192 1.00 0.00 O ATOM 1634 CB CYS A 103 -3.878 8.283 2.421 1.00 0.00 C ATOM 1635 SG CYS A 103 -2.792 7.169 1.504 1.00 0.00 S ATOM 0 H CYS A 103 -5.411 6.240 1.857 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.877 8.963 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -3.449 9.285 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.915 7.964 3.463 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.907 7.402 0.230 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.373 9.495 0.043 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.564 10.073 -1.275 1.00 0.00 C ATOM 1643 C GLN A 104 -6.758 8.914 -2.235 1.00 0.00 C ATOM 1644 O GLN A 104 -6.050 7.915 -2.264 1.00 0.00 O ATOM 1645 CB GLN A 104 -5.358 10.941 -1.730 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.778 11.821 -0.590 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.605 13.283 -1.000 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -3.509 13.827 -1.047 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.773 13.886 -1.264 1.00 0.00 N ATOM 0 H GLN A 104 -7.193 9.573 0.644 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.426 10.740 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.573 10.289 -2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.670 11.583 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.438 11.767 0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.813 11.418 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.644 13.359 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.790 14.871 -1.527 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.833 9.160 -3.001 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.290 8.219 -3.983 1.00 0.00 C ATOM 1660 C LYS A 105 -7.236 8.131 -5.078 1.00 0.00 C ATOM 1661 O LYS A 105 -6.421 9.023 -5.286 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.652 8.635 -4.536 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.730 9.540 -5.756 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.521 10.978 -5.513 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.499 11.642 -4.545 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.307 13.098 -4.434 1.00 0.00 N ATOM 0 H LYS A 105 -8.390 10.012 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.425 7.235 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.199 7.722 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.193 9.130 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.988 9.203 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.709 9.409 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.510 11.119 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.576 11.500 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.519 11.441 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.387 11.191 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.999 13.489 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.345 13.296 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.441 13.538 -5.367 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.418 7.058 -5.844 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.489 6.741 -6.917 1.00 0.00 C ATOM 1682 C LEU A 106 -6.768 7.659 -8.117 1.00 0.00 C ATOM 1683 O LEU A 106 -7.865 7.629 -8.663 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.611 5.236 -7.246 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.271 4.340 -6.038 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.513 2.876 -6.393 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.827 4.506 -5.529 1.00 0.00 C ATOM 0 H LEU A 106 -8.192 6.402 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.455 6.923 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.626 5.021 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.945 4.993 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.929 4.659 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.271 2.249 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.560 2.735 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.881 2.597 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.663 3.844 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.129 4.252 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.666 5.539 -5.221 1.00 0.00 H new ATOM 1699 N THR A 107 -5.737 8.502 -8.443 1.00 0.00 N ATOM 1700 CA THR A 107 -5.929 9.489 -9.512 1.00 0.00 C ATOM 1701 C THR A 107 -5.254 9.062 -10.816 1.00 0.00 C ATOM 1702 O THR A 107 -5.951 8.478 -11.644 1.00 0.00 O ATOM 1703 CB THR A 107 -5.634 10.995 -9.180 1.00 0.00 C ATOM 1704 OG1 THR A 107 -4.235 11.475 -9.428 1.00 0.00 O ATOM 1705 CG2 THR A 107 -6.020 11.179 -7.688 1.00 0.00 C ATOM 0 H THR A 107 -4.819 8.508 -7.998 1.00 0.00 H new ATOM 0 HA THR A 107 -7.012 9.478 -9.636 1.00 0.00 H new ATOM 0 HB THR A 107 -6.218 11.607 -9.867 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.167 12.423 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.838 12.212 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.076 10.943 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.418 10.512 -7.071 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.923 9.326 -11.002 1.00 0.00 N ATOM 1714 CA LEU A 108 -3.374 8.945 -12.312 1.00 0.00 C ATOM 1715 C LEU A 108 -1.980 8.378 -12.137 1.00 0.00 C ATOM 1716 O LEU A 108 -1.195 8.943 -11.404 1.00 0.00 O ATOM 1717 CB LEU A 108 -3.308 10.149 -13.261 1.00 0.00 C ATOM 1718 CG LEU A 108 -4.673 10.499 -13.878 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -4.970 11.991 -13.744 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -4.775 10.027 -15.338 1.00 0.00 C ATOM 0 H LEU A 108 -3.282 9.754 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.035 8.195 -12.747 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.928 11.014 -12.717 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.597 9.937 -14.060 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.436 9.960 -13.317 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.941 12.210 -14.189 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.983 12.266 -12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.198 12.563 -14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.753 10.292 -15.739 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.997 10.508 -15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.647 8.945 -15.381 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.635 7.279 -12.875 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.311 6.661 -12.763 1.00 0.00 C ATOM 1734 C PRO A 109 0.856 7.632 -13.090 1.00 0.00 C ATOM 1735 O PRO A 109 0.661 8.697 -13.667 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.318 5.493 -13.766 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.677 5.480 -14.466 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.490 6.637 -13.881 1.00 0.00 C ATOM 0 HA PRO A 109 -0.139 6.345 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.485 5.611 -14.494 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.145 4.548 -13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.558 5.598 -15.543 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.186 4.530 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.772 7.346 -14.660 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.414 6.274 -13.431 1.00 0.00 H new ATOM 1746 N CYS A 110 2.084 7.131 -12.805 1.00 0.00 N ATOM 1747 CA CYS A 110 3.278 7.953 -13.031 1.00 0.00 C ATOM 1748 C CYS A 110 3.544 8.155 -14.541 1.00 0.00 C ATOM 1749 O CYS A 110 2.986 7.470 -15.387 1.00 0.00 O ATOM 1750 CB CYS A 110 4.500 7.277 -12.389 1.00 0.00 C ATOM 1751 SG CYS A 110 5.815 8.440 -11.942 1.00 0.00 S ATOM 0 H CYS A 110 2.262 6.198 -12.433 1.00 0.00 H new ATOM 0 HA CYS A 110 3.106 8.929 -12.577 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.181 6.740 -11.496 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.901 6.536 -13.080 1.00 0.00 H new ATOM 0 HG CYS A 110 5.445 9.650 -12.241 1.00 0.00 H new ATOM 1757 N VAL A 111 4.397 9.146 -14.831 1.00 0.00 N ATOM 1758 CA VAL A 111 4.756 9.431 -16.213 1.00 0.00 C ATOM 1759 C VAL A 111 5.782 8.382 -16.654 1.00 0.00 C ATOM 1760 O VAL A 111 6.708 8.046 -15.926 1.00 0.00 O ATOM 1761 CB VAL A 111 5.318 10.857 -16.350 1.00 0.00 C ATOM 1762 CG1 VAL A 111 4.246 11.907 -16.036 1.00 0.00 C ATOM 1763 CG2 VAL A 111 6.567 11.070 -15.482 1.00 0.00 C ATOM 0 H VAL A 111 4.840 9.749 -14.138 1.00 0.00 H new ATOM 0 HA VAL A 111 3.875 9.379 -16.853 1.00 0.00 H new ATOM 0 HB VAL A 111 5.622 10.982 -17.389 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.672 12.905 -16.141 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.412 11.794 -16.729 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.891 11.770 -15.015 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.930 12.090 -15.610 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.315 10.903 -14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.344 10.368 -15.784 1.00 0.00 H new ATOM 1773 N ASN A 112 5.550 7.867 -17.872 1.00 0.00 N ATOM 1774 CA ASN A 112 6.487 6.892 -18.414 1.00 0.00 C ATOM 1775 C ASN A 112 7.678 7.648 -19.041 1.00 0.00 C ATOM 1776 O ASN A 112 7.550 8.786 -19.478 1.00 0.00 O ATOM 1777 CB ASN A 112 5.777 6.033 -19.475 1.00 0.00 C ATOM 1778 CG ASN A 112 5.248 6.865 -20.661 1.00 0.00 C ATOM 1779 OD1 ASN A 112 4.100 7.285 -20.692 1.00 0.00 O ATOM 1780 ND2 ASN A 112 6.164 7.083 -21.622 1.00 0.00 N ATOM 0 H ASN A 112 4.758 8.100 -18.471 1.00 0.00 H new ATOM 0 HA ASN A 112 6.851 6.236 -17.623 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.469 5.278 -19.847 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.946 5.503 -19.010 1.00 0.00 H new ATOM 0 HD21 ASN A 112 5.918 7.632 -22.446 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.104 6.700 -21.527 1.00 0.00 H new ATOM 1787 N LEU A 113 8.823 6.948 -19.060 1.00 0.00 N ATOM 1788 CA LEU A 113 10.020 7.537 -19.651 1.00 0.00 C ATOM 1789 C LEU A 113 9.969 7.423 -21.188 1.00 0.00 C ATOM 1790 O LEU A 113 9.501 6.434 -21.739 1.00 0.00 O ATOM 1791 CB LEU A 113 11.254 6.823 -19.097 1.00 0.00 C ATOM 1792 CG LEU A 113 12.577 7.534 -19.449 1.00 0.00 C ATOM 1793 CD1 LEU A 113 13.541 7.539 -18.254 1.00 0.00 C ATOM 1794 CD2 LEU A 113 13.241 6.909 -20.687 1.00 0.00 C ATOM 0 H LEU A 113 8.939 6.006 -18.685 1.00 0.00 H new ATOM 0 HA LEU A 113 10.072 8.595 -19.394 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.166 6.748 -18.013 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.282 5.805 -19.485 1.00 0.00 H new ATOM 0 HG LEU A 113 12.335 8.569 -19.690 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.464 8.047 -18.533 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.079 8.061 -17.416 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.765 6.513 -17.963 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.170 7.435 -20.906 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.456 5.858 -20.493 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.568 6.990 -21.541 1.00 0.00 H new ATOM 1806 N ALA A 114 10.459 8.505 -21.826 1.00 0.00 N ATOM 1807 CA ALA A 114 10.495 8.560 -23.284 1.00 0.00 C ATOM 1808 C ALA A 114 11.457 9.682 -23.738 1.00 0.00 C ATOM 1809 O ALA A 114 11.075 10.851 -23.683 1.00 0.00 O ATOM 1810 CB ALA A 114 9.070 8.762 -23.826 1.00 0.00 C ATOM 1811 OXT ALA A 114 12.580 9.371 -24.140 1.00 0.00 O ATOM 0 H ALA A 114 10.827 9.333 -21.357 1.00 0.00 H new ATOM 0 HA ALA A 114 10.872 7.621 -23.689 1.00 0.00 H new ATOM 0 HB1 ALA A 114 9.097 8.803 -24.915 1.00 0.00 H new ATOM 0 HB2 ALA A 114 8.439 7.931 -23.510 1.00 0.00 H new ATOM 0 HB3 ALA A 114 8.662 9.695 -23.438 1.00 0.00 H new TER 1817 ALA A 114