USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0.411 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.446 K(o=0.86,f=-4.3!) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot -113:sc= 0.414 USER MOD Set 2.2: A 93 THR OG1 : rot -150:sc= 0.383 USER MOD Set 3.1: A 49 LYS NZ :NH3+ 135:sc= 0.0453 (180deg=0) USER MOD Set 3.2: A 51 THR OG1 : rot -178:sc= 0.0449 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.18) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 43 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Set 6.1: A 19 MET CE :methyl -165:sc= 0 (180deg=-0.274) USER MOD Set 6.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 10 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0681 F(o=-1.5!,f=-0.068) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.00842 X(o=0.0084,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.0201 (180deg=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.021 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0.452 (180deg=0.307) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0213 K(o=-0.021,f=-0.56) USER MOD Single : A 69 CYS SG : rot 6:sc= -0.0389 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 167:sc= 0.152 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0663) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0134 X(o=0.013,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.0056) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.414 -10.811 13.159 1.00 0.00 N ATOM 2 CA SER A 2 9.019 -10.936 14.568 1.00 0.00 C ATOM 3 C SER A 2 8.556 -9.555 15.095 1.00 0.00 C ATOM 4 O SER A 2 9.358 -8.624 15.232 1.00 0.00 O ATOM 5 CB SER A 2 10.179 -11.540 15.389 1.00 0.00 C ATOM 6 OG SER A 2 9.783 -11.757 16.739 1.00 0.00 O ATOM 0 HA SER A 2 8.176 -11.620 14.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.495 -12.483 14.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.038 -10.870 15.360 1.00 0.00 H new ATOM 0 HG SER A 2 10.531 -12.142 17.242 1.00 0.00 H new ATOM 12 N PHE A 3 7.253 -9.446 15.403 1.00 0.00 N ATOM 13 CA PHE A 3 6.622 -8.164 15.839 1.00 0.00 C ATOM 14 C PHE A 3 6.759 -7.760 17.343 1.00 0.00 C ATOM 15 O PHE A 3 6.243 -6.698 17.699 1.00 0.00 O ATOM 16 CB PHE A 3 5.119 -8.191 15.428 1.00 0.00 C ATOM 17 CG PHE A 3 4.817 -8.043 13.928 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.803 -6.772 13.343 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.508 -9.162 13.147 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.481 -6.622 11.997 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.186 -9.008 11.803 1.00 0.00 C ATOM 22 CZ PHE A 3 4.171 -7.739 11.229 1.00 0.00 C ATOM 0 H PHE A 3 6.602 -10.230 15.361 1.00 0.00 H new ATOM 0 HA PHE A 3 7.193 -7.389 15.328 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.688 -9.131 15.772 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.605 -7.391 15.960 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.043 -5.903 13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.520 -10.147 13.589 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.472 -5.639 11.550 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.947 -9.874 11.203 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.918 -7.622 10.186 1.00 0.00 H new ATOM 32 N SER A 4 7.440 -8.522 18.229 1.00 0.00 N ATOM 33 CA SER A 4 7.508 -8.191 19.677 1.00 0.00 C ATOM 34 C SER A 4 8.541 -7.056 19.942 1.00 0.00 C ATOM 35 O SER A 4 9.744 -7.231 19.721 1.00 0.00 O ATOM 36 CB SER A 4 7.825 -9.467 20.490 1.00 0.00 C ATOM 37 OG SER A 4 7.698 -9.221 21.886 1.00 0.00 O ATOM 0 H SER A 4 7.949 -9.367 17.971 1.00 0.00 H new ATOM 0 HA SER A 4 6.539 -7.815 20.004 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.149 -10.269 20.195 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.837 -9.804 20.266 1.00 0.00 H new ATOM 0 HG SER A 4 7.901 -10.041 22.382 1.00 0.00 H new ATOM 43 N GLY A 5 8.036 -5.898 20.393 1.00 0.00 N ATOM 44 CA GLY A 5 8.863 -4.695 20.610 1.00 0.00 C ATOM 45 C GLY A 5 8.029 -3.408 20.786 1.00 0.00 C ATOM 46 O GLY A 5 6.875 -3.313 20.354 1.00 0.00 O ATOM 0 H GLY A 5 7.050 -5.766 20.617 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.483 -4.843 21.495 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.539 -4.569 19.764 1.00 0.00 H new ATOM 50 N LYS A 6 8.671 -2.389 21.386 1.00 0.00 N ATOM 51 CA LYS A 6 8.102 -1.015 21.463 1.00 0.00 C ATOM 52 C LYS A 6 8.422 -0.223 20.165 1.00 0.00 C ATOM 53 O LYS A 6 9.585 -0.144 19.760 1.00 0.00 O ATOM 54 CB LYS A 6 8.538 -0.267 22.753 1.00 0.00 C ATOM 55 CG LYS A 6 10.024 0.150 22.911 1.00 0.00 C ATOM 56 CD LYS A 6 10.327 1.006 24.161 1.00 0.00 C ATOM 57 CE LYS A 6 9.720 2.424 24.125 1.00 0.00 C ATOM 58 NZ LYS A 6 10.114 3.219 25.301 1.00 0.00 N ATOM 0 H LYS A 6 9.586 -2.483 21.827 1.00 0.00 H new ATOM 0 HA LYS A 6 7.018 -1.100 21.534 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.932 0.636 22.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.281 -0.899 23.603 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.638 -0.750 22.947 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.327 0.707 22.024 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.952 0.486 25.042 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.408 1.089 24.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.042 2.934 23.217 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.633 2.353 24.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.686 4.165 25.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.785 2.745 26.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.150 3.309 25.328 1.00 0.00 H new ATOM 72 N TYR A 7 7.386 0.350 19.526 1.00 0.00 N ATOM 73 CA TYR A 7 7.544 1.109 18.254 1.00 0.00 C ATOM 74 C TYR A 7 6.996 2.533 18.502 1.00 0.00 C ATOM 75 O TYR A 7 5.786 2.770 18.402 1.00 0.00 O ATOM 76 CB TYR A 7 6.851 0.428 17.037 1.00 0.00 C ATOM 77 CG TYR A 7 7.239 -1.033 16.742 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.319 -1.335 15.905 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.494 -2.077 17.301 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.653 -2.662 15.643 1.00 0.00 C ATOM 81 CE2 TYR A 7 6.836 -3.401 17.048 1.00 0.00 C ATOM 82 CZ TYR A 7 7.920 -3.693 16.222 1.00 0.00 C ATOM 83 OH TYR A 7 8.265 -5.000 15.994 1.00 0.00 O ATOM 0 H TYR A 7 6.425 0.306 19.864 1.00 0.00 H new ATOM 0 HA TYR A 7 8.599 1.139 17.983 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.773 0.468 17.195 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.065 1.022 16.149 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.895 -0.537 15.461 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.648 -1.853 17.933 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.482 -2.891 14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.262 -4.202 17.491 1.00 0.00 H new ATOM 0 HH TYR A 7 8.325 -5.476 16.848 1.00 0.00 H new ATOM 93 N GLN A 8 7.896 3.484 18.825 1.00 0.00 N ATOM 94 CA GLN A 8 7.516 4.902 19.035 1.00 0.00 C ATOM 95 C GLN A 8 7.446 5.638 17.672 1.00 0.00 C ATOM 96 O GLN A 8 8.325 5.500 16.817 1.00 0.00 O ATOM 97 CB GLN A 8 8.486 5.603 20.021 1.00 0.00 C ATOM 98 CG GLN A 8 7.948 6.942 20.584 1.00 0.00 C ATOM 99 CD GLN A 8 8.835 7.615 21.645 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.041 7.387 21.749 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.243 8.486 22.448 1.00 0.00 N ATOM 0 H GLN A 8 8.892 3.299 18.947 1.00 0.00 H new ATOM 0 HA GLN A 8 6.526 4.937 19.490 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.695 4.929 20.851 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.433 5.787 19.514 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.812 7.637 19.755 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.963 6.765 21.017 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.244 8.668 22.355 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.786 8.974 23.160 1.00 0.00 H new ATOM 110 N LEU A 9 6.388 6.448 17.521 1.00 0.00 N ATOM 111 CA LEU A 9 6.105 7.215 16.283 1.00 0.00 C ATOM 112 C LEU A 9 7.216 8.249 15.924 1.00 0.00 C ATOM 113 O LEU A 9 7.957 8.733 16.788 1.00 0.00 O ATOM 114 CB LEU A 9 4.688 7.826 16.472 1.00 0.00 C ATOM 115 CG LEU A 9 4.014 8.510 15.253 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.797 7.570 14.049 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.668 9.111 15.685 1.00 0.00 C ATOM 0 H LEU A 9 5.695 6.595 18.255 1.00 0.00 H new ATOM 0 HA LEU A 9 6.115 6.565 15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.026 7.031 16.815 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.747 8.561 17.275 1.00 0.00 H new ATOM 0 HG LEU A 9 4.701 9.286 14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.322 8.122 13.238 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.759 7.184 13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.157 6.739 14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.193 9.592 14.830 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.020 8.319 16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.834 9.849 16.470 1.00 0.00 H new ATOM 129 N GLN A 10 7.343 8.529 14.620 1.00 0.00 N ATOM 130 CA GLN A 10 8.359 9.461 14.070 1.00 0.00 C ATOM 131 C GLN A 10 7.700 10.462 13.080 1.00 0.00 C ATOM 132 O GLN A 10 7.887 11.671 13.254 1.00 0.00 O ATOM 133 CB GLN A 10 9.548 8.654 13.465 1.00 0.00 C ATOM 134 CG GLN A 10 10.918 9.371 13.487 1.00 0.00 C ATOM 135 CD GLN A 10 11.478 9.629 14.900 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.501 10.761 15.382 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.911 8.592 15.602 1.00 0.00 N ATOM 0 H GLN A 10 6.743 8.117 13.905 1.00 0.00 H new ATOM 0 HA GLN A 10 8.781 10.072 14.868 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.641 7.714 14.009 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.306 8.402 12.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.637 8.772 12.928 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.824 10.324 12.967 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.889 7.656 15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.266 8.729 16.548 1.00 0.00 H new ATOM 146 N SER A 11 6.938 9.986 12.066 1.00 0.00 N ATOM 147 CA SER A 11 6.189 10.866 11.137 1.00 0.00 C ATOM 148 C SER A 11 4.810 10.238 10.786 1.00 0.00 C ATOM 149 O SER A 11 4.721 9.269 10.026 1.00 0.00 O ATOM 150 CB SER A 11 7.036 11.209 9.891 1.00 0.00 C ATOM 151 OG SER A 11 7.460 10.059 9.168 1.00 0.00 O ATOM 0 H SER A 11 6.826 8.991 11.870 1.00 0.00 H new ATOM 0 HA SER A 11 5.985 11.815 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.455 11.852 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.912 11.779 10.201 1.00 0.00 H new ATOM 0 HG SER A 11 7.989 10.337 8.391 1.00 0.00 H new ATOM 157 N GLN A 12 3.736 10.847 11.325 1.00 0.00 N ATOM 158 CA GLN A 12 2.328 10.543 10.942 1.00 0.00 C ATOM 159 C GLN A 12 1.932 11.405 9.708 1.00 0.00 C ATOM 160 O GLN A 12 1.659 12.605 9.826 1.00 0.00 O ATOM 161 CB GLN A 12 1.320 10.714 12.123 1.00 0.00 C ATOM 162 CG GLN A 12 1.489 11.956 13.038 1.00 0.00 C ATOM 163 CD GLN A 12 0.371 12.227 14.060 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.195 11.394 15.073 1.00 0.00 O flip ATOM 165 NE2 GLN A 12 -0.337 13.226 13.961 1.00 0.00 N flip ATOM 0 H GLN A 12 3.813 11.568 12.042 1.00 0.00 H new ATOM 0 HA GLN A 12 2.273 9.488 10.674 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.314 10.739 11.705 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.382 9.824 12.749 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.428 11.851 13.582 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.587 12.835 12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.204 13.870 13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.058 13.411 14.658 1.00 0.00 H new ATOM 174 N GLU A 13 1.904 10.767 8.524 1.00 0.00 N ATOM 175 CA GLU A 13 1.519 11.428 7.249 1.00 0.00 C ATOM 176 C GLU A 13 -0.012 11.277 7.049 1.00 0.00 C ATOM 177 O GLU A 13 -0.518 10.157 6.968 1.00 0.00 O ATOM 178 CB GLU A 13 2.275 10.805 6.046 1.00 0.00 C ATOM 179 CG GLU A 13 3.808 10.996 6.058 1.00 0.00 C ATOM 180 CD GLU A 13 4.468 10.487 4.775 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.542 9.254 4.578 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.912 11.320 3.954 1.00 0.00 O ATOM 0 H GLU A 13 2.146 9.782 8.417 1.00 0.00 H new ATOM 0 HA GLU A 13 1.788 12.483 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.059 9.737 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.879 11.236 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.039 12.053 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.230 10.470 6.914 1.00 0.00 H new ATOM 189 N ASN A 14 -0.738 12.410 6.994 1.00 0.00 N ATOM 190 CA ASN A 14 -2.233 12.445 6.948 1.00 0.00 C ATOM 191 C ASN A 14 -2.911 11.907 8.250 1.00 0.00 C ATOM 192 O ASN A 14 -3.679 10.941 8.212 1.00 0.00 O ATOM 193 CB ASN A 14 -2.865 11.840 5.652 1.00 0.00 C ATOM 194 CG ASN A 14 -2.492 12.470 4.294 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.835 13.507 4.200 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.931 11.859 3.204 1.00 0.00 N ATOM 0 H ASN A 14 -0.313 13.337 6.980 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.461 13.510 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.598 10.784 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.949 11.891 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.725 12.247 2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.475 11.000 3.285 1.00 0.00 H new ATOM 203 N PHE A 15 -2.664 12.580 9.392 1.00 0.00 N ATOM 204 CA PHE A 15 -3.478 12.401 10.628 1.00 0.00 C ATOM 205 C PHE A 15 -4.776 13.261 10.579 1.00 0.00 C ATOM 206 O PHE A 15 -5.855 12.704 10.774 1.00 0.00 O ATOM 207 CB PHE A 15 -2.612 12.660 11.897 1.00 0.00 C ATOM 208 CG PHE A 15 -3.311 12.405 13.253 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.125 13.390 13.827 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.133 11.193 13.928 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.776 13.149 15.032 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.766 10.963 15.147 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.591 11.940 15.697 1.00 0.00 C ATOM 0 H PHE A 15 -1.907 13.256 9.491 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.810 11.364 10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.725 12.029 11.843 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.270 13.695 11.875 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.248 14.342 13.331 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.500 10.430 13.501 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.427 13.901 15.453 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.617 10.027 15.665 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.087 11.760 16.639 1.00 0.00 H new ATOM 223 N GLU A 16 -4.681 14.592 10.373 1.00 0.00 N ATOM 224 CA GLU A 16 -5.838 15.522 10.469 1.00 0.00 C ATOM 225 C GLU A 16 -6.950 15.308 9.397 1.00 0.00 C ATOM 226 O GLU A 16 -8.128 15.253 9.762 1.00 0.00 O ATOM 227 CB GLU A 16 -5.281 16.968 10.467 1.00 0.00 C ATOM 228 CG GLU A 16 -6.243 17.995 11.089 1.00 0.00 C ATOM 229 CD GLU A 16 -5.755 19.438 10.958 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.975 19.892 11.824 1.00 0.00 O ATOM 231 OE2 GLU A 16 -6.148 20.127 9.991 1.00 0.00 O ATOM 0 H GLU A 16 -3.804 15.056 10.136 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.363 15.311 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.338 16.987 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.060 17.263 9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.219 17.904 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.381 17.760 12.144 1.00 0.00 H new ATOM 238 N ALA A 17 -6.579 15.151 8.107 1.00 0.00 N ATOM 239 CA ALA A 17 -7.510 14.683 7.045 1.00 0.00 C ATOM 240 C ALA A 17 -8.153 13.282 7.278 1.00 0.00 C ATOM 241 O ALA A 17 -9.341 13.129 6.989 1.00 0.00 O ATOM 242 CB ALA A 17 -6.787 14.722 5.685 1.00 0.00 C ATOM 0 H ALA A 17 -5.635 15.342 7.770 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.353 15.373 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.465 14.380 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.471 15.743 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.913 14.071 5.719 1.00 0.00 H new ATOM 248 N PHE A 18 -7.402 12.295 7.818 1.00 0.00 N ATOM 249 CA PHE A 18 -7.960 10.957 8.173 1.00 0.00 C ATOM 250 C PHE A 18 -8.968 11.000 9.361 1.00 0.00 C ATOM 251 O PHE A 18 -10.066 10.459 9.221 1.00 0.00 O ATOM 252 CB PHE A 18 -6.798 9.948 8.396 1.00 0.00 C ATOM 253 CG PHE A 18 -7.217 8.477 8.611 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.345 7.597 7.529 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.458 8.007 9.908 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.692 6.266 7.745 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.818 6.678 10.118 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.930 5.810 9.038 1.00 0.00 C ATOM 0 H PHE A 18 -6.407 12.394 8.020 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.558 10.610 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.132 9.994 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.222 10.272 9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.174 7.952 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.364 8.678 10.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.776 5.587 6.909 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.010 6.322 11.119 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.203 4.778 9.203 1.00 0.00 H new ATOM 268 N MET A 19 -8.594 11.612 10.502 1.00 0.00 N ATOM 269 CA MET A 19 -9.461 11.697 11.709 1.00 0.00 C ATOM 270 C MET A 19 -10.771 12.531 11.532 1.00 0.00 C ATOM 271 O MET A 19 -11.826 12.090 11.993 1.00 0.00 O ATOM 272 CB MET A 19 -8.650 12.165 12.942 1.00 0.00 C ATOM 273 CG MET A 19 -7.486 11.267 13.394 1.00 0.00 C ATOM 274 SD MET A 19 -7.990 9.539 13.523 1.00 0.00 S ATOM 275 CE MET A 19 -6.382 8.759 13.762 1.00 0.00 C ATOM 0 H MET A 19 -7.686 12.062 10.620 1.00 0.00 H new ATOM 0 HA MET A 19 -9.812 10.679 11.876 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.250 13.156 12.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.339 12.273 13.779 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.662 11.354 12.685 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.114 11.611 14.359 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.470 7.685 13.596 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.666 9.178 13.055 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.037 8.941 14.780 1.00 0.00 H new ATOM 285 N LYS A 20 -10.722 13.678 10.822 1.00 0.00 N ATOM 286 CA LYS A 20 -11.933 14.388 10.321 1.00 0.00 C ATOM 287 C LYS A 20 -12.841 13.545 9.361 1.00 0.00 C ATOM 288 O LYS A 20 -14.061 13.542 9.545 1.00 0.00 O ATOM 289 CB LYS A 20 -11.463 15.718 9.664 1.00 0.00 C ATOM 290 CG LYS A 20 -12.589 16.734 9.360 1.00 0.00 C ATOM 291 CD LYS A 20 -12.144 17.976 8.558 1.00 0.00 C ATOM 292 CE LYS A 20 -11.866 17.699 7.065 1.00 0.00 C ATOM 293 NZ LYS A 20 -11.546 18.937 6.331 1.00 0.00 N ATOM 0 H LYS A 20 -9.848 14.142 10.577 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.585 14.582 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.735 16.192 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.946 15.483 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.378 16.225 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.024 17.065 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.916 18.741 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.243 18.385 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.037 16.997 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.737 17.224 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.365 18.711 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.347 19.597 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.700 19.377 6.745 1.00 0.00 H new ATOM 307 N ALA A 21 -12.259 12.847 8.360 1.00 0.00 N ATOM 308 CA ALA A 21 -13.022 12.016 7.387 1.00 0.00 C ATOM 309 C ALA A 21 -13.732 10.748 7.949 1.00 0.00 C ATOM 310 O ALA A 21 -14.856 10.462 7.529 1.00 0.00 O ATOM 311 CB ALA A 21 -12.094 11.653 6.213 1.00 0.00 C ATOM 0 H ALA A 21 -11.252 12.840 8.200 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.857 12.639 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.640 11.044 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.747 12.565 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.237 11.092 6.586 1.00 0.00 H new ATOM 317 N ILE A 22 -13.116 10.017 8.903 1.00 0.00 N ATOM 318 CA ILE A 22 -13.799 8.928 9.673 1.00 0.00 C ATOM 319 C ILE A 22 -14.958 9.431 10.606 1.00 0.00 C ATOM 320 O ILE A 22 -15.994 8.764 10.678 1.00 0.00 O ATOM 321 CB ILE A 22 -12.781 7.976 10.404 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.989 8.657 11.563 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.857 7.240 9.395 1.00 0.00 C ATOM 324 CD1 ILE A 22 -11.005 7.780 12.354 1.00 0.00 C ATOM 0 H ILE A 22 -12.141 10.155 9.167 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.302 8.318 8.922 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.389 7.219 10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.432 9.495 11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.711 9.073 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.168 6.592 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.464 6.638 8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.290 7.972 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.524 8.379 13.127 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.545 6.955 12.818 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.247 7.384 11.679 1.00 0.00 H new ATOM 336 N GLY A 23 -14.786 10.579 11.298 1.00 0.00 N ATOM 337 CA GLY A 23 -15.841 11.210 12.121 1.00 0.00 C ATOM 338 C GLY A 23 -15.415 11.396 13.588 1.00 0.00 C ATOM 339 O GLY A 23 -15.901 10.668 14.459 1.00 0.00 O ATOM 0 H GLY A 23 -13.907 11.096 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.097 12.180 11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.742 10.597 12.083 1.00 0.00 H new ATOM 343 N LEU A 24 -14.533 12.380 13.847 1.00 0.00 N ATOM 344 CA LEU A 24 -14.053 12.708 15.222 1.00 0.00 C ATOM 345 C LEU A 24 -14.197 14.234 15.549 1.00 0.00 C ATOM 346 O LEU A 24 -14.090 15.056 14.631 1.00 0.00 O ATOM 347 CB LEU A 24 -12.573 12.248 15.404 1.00 0.00 C ATOM 348 CG LEU A 24 -12.379 10.728 15.654 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.915 10.313 15.440 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.835 10.314 17.068 1.00 0.00 C ATOM 0 H LEU A 24 -14.130 12.972 13.121 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.685 12.166 15.926 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.010 12.528 14.514 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.139 12.796 16.241 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.005 10.209 14.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.810 9.244 15.622 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.619 10.537 14.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.276 10.863 16.131 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.682 9.243 17.201 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.253 10.859 17.812 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.892 10.547 17.192 1.00 0.00 H new ATOM 362 N PRO A 25 -14.395 14.672 16.833 1.00 0.00 N ATOM 363 CA PRO A 25 -14.462 16.112 17.202 1.00 0.00 C ATOM 364 C PRO A 25 -13.073 16.823 17.248 1.00 0.00 C ATOM 365 O PRO A 25 -12.019 16.181 17.219 1.00 0.00 O ATOM 366 CB PRO A 25 -15.136 16.034 18.590 1.00 0.00 C ATOM 367 CG PRO A 25 -14.663 14.713 19.196 1.00 0.00 C ATOM 368 CD PRO A 25 -14.592 13.774 17.992 1.00 0.00 C ATOM 0 HA PRO A 25 -14.998 16.717 16.471 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.847 16.879 19.215 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.222 16.059 18.502 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.692 14.818 19.681 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.358 14.346 19.951 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.770 13.065 18.089 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.506 13.189 17.890 1.00 0.00 H new ATOM 376 N GLU A 26 -13.097 18.161 17.383 1.00 0.00 N ATOM 377 CA GLU A 26 -11.870 18.986 17.599 1.00 0.00 C ATOM 378 C GLU A 26 -10.992 18.612 18.846 1.00 0.00 C ATOM 379 O GLU A 26 -9.769 18.740 18.764 1.00 0.00 O ATOM 380 CB GLU A 26 -12.295 20.480 17.608 1.00 0.00 C ATOM 381 CG GLU A 26 -11.137 21.494 17.470 1.00 0.00 C ATOM 382 CD GLU A 26 -11.624 22.946 17.438 1.00 0.00 C ATOM 383 OE1 GLU A 26 -12.022 23.426 16.354 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.612 23.611 18.497 1.00 0.00 O ATOM 0 H GLU A 26 -13.957 18.709 17.347 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.194 18.769 16.772 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.001 20.645 16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.827 20.684 18.537 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.445 21.365 18.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.580 21.282 16.557 1.00 0.00 H new ATOM 391 N GLU A 27 -11.586 18.133 19.961 1.00 0.00 N ATOM 392 CA GLU A 27 -10.842 17.606 21.138 1.00 0.00 C ATOM 393 C GLU A 27 -9.912 16.390 20.811 1.00 0.00 C ATOM 394 O GLU A 27 -8.700 16.496 21.019 1.00 0.00 O ATOM 395 CB GLU A 27 -11.887 17.318 22.254 1.00 0.00 C ATOM 396 CG GLU A 27 -11.291 16.949 23.628 1.00 0.00 C ATOM 397 CD GLU A 27 -12.364 16.613 24.665 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.834 15.454 24.694 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.747 17.506 25.454 1.00 0.00 O ATOM 0 H GLU A 27 -12.599 18.099 20.075 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.131 18.355 21.486 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.519 18.198 22.374 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.532 16.504 21.925 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.623 16.095 23.512 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.687 17.780 23.992 1.00 0.00 H new ATOM 406 N LEU A 28 -10.458 15.270 20.292 1.00 0.00 N ATOM 407 CA LEU A 28 -9.659 14.057 19.944 1.00 0.00 C ATOM 408 C LEU A 28 -8.680 14.207 18.731 1.00 0.00 C ATOM 409 O LEU A 28 -7.608 13.596 18.764 1.00 0.00 O ATOM 410 CB LEU A 28 -10.602 12.829 19.773 1.00 0.00 C ATOM 411 CG LEU A 28 -11.402 12.364 21.030 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.440 11.285 20.668 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.500 11.848 22.170 1.00 0.00 C ATOM 0 H LEU A 28 -11.455 15.173 20.101 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.990 13.902 20.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.317 13.060 18.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.002 11.988 19.424 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.914 13.255 21.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.979 10.983 21.566 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.144 11.687 19.940 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.932 10.420 20.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.119 11.541 23.013 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.919 10.996 21.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.824 12.642 22.487 1.00 0.00 H new ATOM 425 N ILE A 29 -9.005 15.025 17.703 1.00 0.00 N ATOM 426 CA ILE A 29 -8.067 15.361 16.586 1.00 0.00 C ATOM 427 C ILE A 29 -6.874 16.245 17.097 1.00 0.00 C ATOM 428 O ILE A 29 -5.718 15.849 16.925 1.00 0.00 O ATOM 429 CB ILE A 29 -8.794 15.998 15.338 1.00 0.00 C ATOM 430 CG1 ILE A 29 -10.031 15.206 14.815 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.801 16.196 14.158 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.983 15.989 13.896 1.00 0.00 C ATOM 0 H ILE A 29 -9.917 15.473 17.617 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.651 14.419 16.229 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.167 16.953 15.708 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.676 14.328 14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.598 14.846 15.673 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.326 16.636 13.310 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.994 16.859 14.469 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.386 15.231 13.866 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.807 15.344 13.591 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.377 16.853 14.432 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.441 16.326 13.013 1.00 0.00 H new ATOM 444 N GLN A 30 -7.141 17.430 17.684 1.00 0.00 N ATOM 445 CA GLN A 30 -6.081 18.418 18.043 1.00 0.00 C ATOM 446 C GLN A 30 -5.147 18.073 19.247 1.00 0.00 C ATOM 447 O GLN A 30 -4.082 18.689 19.357 1.00 0.00 O ATOM 448 CB GLN A 30 -6.690 19.841 18.203 1.00 0.00 C ATOM 449 CG GLN A 30 -7.439 20.441 16.984 1.00 0.00 C ATOM 450 CD GLN A 30 -6.566 20.696 15.741 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.833 21.681 15.667 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.625 19.824 14.746 1.00 0.00 N ATOM 0 H GLN A 30 -8.084 17.735 17.924 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.403 18.375 17.191 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.382 19.818 19.045 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.884 20.524 18.472 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.249 19.767 16.707 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.897 21.383 17.286 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.236 19.010 14.817 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.060 19.966 13.909 1.00 0.00 H new ATOM 461 N LYS A 31 -5.473 17.076 20.099 1.00 0.00 N ATOM 462 CA LYS A 31 -4.485 16.441 21.019 1.00 0.00 C ATOM 463 C LYS A 31 -3.390 15.642 20.247 1.00 0.00 C ATOM 464 O LYS A 31 -2.214 15.995 20.359 1.00 0.00 O ATOM 465 CB LYS A 31 -5.196 15.555 22.077 1.00 0.00 C ATOM 466 CG LYS A 31 -5.979 16.324 23.164 1.00 0.00 C ATOM 467 CD LYS A 31 -6.568 15.457 24.299 1.00 0.00 C ATOM 468 CE LYS A 31 -7.708 14.485 23.926 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.235 13.241 23.287 1.00 0.00 N ATOM 0 H LYS A 31 -6.413 16.688 20.174 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.973 17.246 21.546 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.885 14.885 21.562 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.448 14.930 22.565 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.317 17.069 23.606 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.794 16.866 22.685 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.756 14.874 24.735 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.935 16.125 25.078 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.268 14.232 24.826 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.400 14.990 23.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.727 13.107 22.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.211 13.305 23.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.433 12.433 23.911 1.00 0.00 H new ATOM 483 N GLY A 32 -3.762 14.617 19.451 1.00 0.00 N ATOM 484 CA GLY A 32 -2.783 13.842 18.649 1.00 0.00 C ATOM 485 C GLY A 32 -2.319 14.409 17.282 1.00 0.00 C ATOM 486 O GLY A 32 -1.814 13.624 16.477 1.00 0.00 O ATOM 0 H GLY A 32 -4.728 14.306 19.345 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.895 13.696 19.264 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.211 12.856 18.469 1.00 0.00 H new ATOM 490 N LYS A 33 -2.437 15.729 17.021 1.00 0.00 N ATOM 491 CA LYS A 33 -1.960 16.371 15.761 1.00 0.00 C ATOM 492 C LYS A 33 -0.420 16.289 15.502 1.00 0.00 C ATOM 493 O LYS A 33 -0.024 15.973 14.377 1.00 0.00 O ATOM 494 CB LYS A 33 -2.537 17.809 15.626 1.00 0.00 C ATOM 495 CG LYS A 33 -2.000 18.879 16.609 1.00 0.00 C ATOM 496 CD LYS A 33 -2.720 20.236 16.498 1.00 0.00 C ATOM 497 CE LYS A 33 -2.166 21.278 17.486 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.855 22.573 17.357 1.00 0.00 N ATOM 0 H LYS A 33 -2.865 16.386 17.674 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.363 15.765 14.950 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.346 18.156 14.611 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.619 17.752 15.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.100 18.506 17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.935 19.026 16.427 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.620 20.615 15.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.785 20.095 16.682 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.276 20.907 18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.099 21.415 17.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.454 23.249 18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.729 22.939 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.869 22.447 17.550 1.00 0.00 H new ATOM 512 N ASP A 34 0.430 16.545 16.521 1.00 0.00 N ATOM 513 CA ASP A 34 1.870 16.177 16.482 1.00 0.00 C ATOM 514 C ASP A 34 2.364 15.903 17.933 1.00 0.00 C ATOM 515 O ASP A 34 3.090 16.703 18.532 1.00 0.00 O ATOM 516 CB ASP A 34 2.691 17.253 15.719 1.00 0.00 C ATOM 517 CG ASP A 34 4.130 16.836 15.381 1.00 0.00 C ATOM 518 OD1 ASP A 34 4.328 16.079 14.405 1.00 0.00 O ATOM 519 OD2 ASP A 34 5.066 17.261 16.093 1.00 0.00 O ATOM 0 H ASP A 34 0.146 17.007 17.385 1.00 0.00 H new ATOM 0 HA ASP A 34 2.018 15.256 15.919 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.171 17.500 14.793 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.721 18.162 16.320 1.00 0.00 H new ATOM 524 N ILE A 35 1.976 14.732 18.466 1.00 0.00 N ATOM 525 CA ILE A 35 2.540 14.169 19.726 1.00 0.00 C ATOM 526 C ILE A 35 2.942 12.714 19.351 1.00 0.00 C ATOM 527 O ILE A 35 2.080 11.864 19.097 1.00 0.00 O ATOM 528 CB ILE A 35 1.574 14.239 20.964 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.093 15.692 21.258 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.229 13.612 22.228 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.107 15.879 22.425 1.00 0.00 C ATOM 0 H ILE A 35 1.261 14.140 18.042 1.00 0.00 H new ATOM 0 HA ILE A 35 3.388 14.761 20.071 1.00 0.00 H new ATOM 0 HB ILE A 35 0.693 13.652 20.705 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.972 16.306 21.455 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.626 16.084 20.354 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.536 13.676 23.067 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.468 12.566 22.033 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.143 14.154 22.471 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.147 16.935 22.521 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.799 15.304 22.232 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.567 15.530 23.350 1.00 0.00 H new ATOM 543 N LYS A 36 4.260 12.442 19.359 1.00 0.00 N ATOM 544 CA LYS A 36 4.804 11.090 19.079 1.00 0.00 C ATOM 545 C LYS A 36 4.759 10.192 20.350 1.00 0.00 C ATOM 546 O LYS A 36 5.318 10.547 21.393 1.00 0.00 O ATOM 547 CB LYS A 36 6.206 11.181 18.419 1.00 0.00 C ATOM 548 CG LYS A 36 7.391 11.737 19.247 1.00 0.00 C ATOM 549 CD LYS A 36 8.699 11.836 18.431 1.00 0.00 C ATOM 550 CE LYS A 36 9.959 12.186 19.248 1.00 0.00 C ATOM 551 NZ LYS A 36 9.959 13.565 19.772 1.00 0.00 N ATOM 0 H LYS A 36 4.975 13.141 19.557 1.00 0.00 H new ATOM 0 HA LYS A 36 4.164 10.595 18.348 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.479 10.180 18.086 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.110 11.799 17.526 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.130 12.725 19.628 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.556 11.095 20.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.866 10.885 17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.568 12.590 17.655 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.046 11.489 20.082 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.839 12.044 18.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.833 13.732 20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.906 14.237 18.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.138 13.699 20.396 1.00 0.00 H new ATOM 565 N GLY A 37 4.075 9.041 20.241 1.00 0.00 N ATOM 566 CA GLY A 37 3.925 8.088 21.363 1.00 0.00 C ATOM 567 C GLY A 37 3.972 6.608 20.933 1.00 0.00 C ATOM 568 O GLY A 37 4.112 6.259 19.755 1.00 0.00 O ATOM 0 H GLY A 37 3.613 8.743 19.382 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.716 8.271 22.091 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.978 8.280 21.867 1.00 0.00 H new ATOM 572 N VAL A 38 3.904 5.731 21.948 1.00 0.00 N ATOM 573 CA VAL A 38 4.343 4.315 21.814 1.00 0.00 C ATOM 574 C VAL A 38 3.130 3.419 21.410 1.00 0.00 C ATOM 575 O VAL A 38 2.147 3.294 22.149 1.00 0.00 O ATOM 576 CB VAL A 38 5.091 3.829 23.106 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.561 2.358 23.003 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.338 4.681 23.458 1.00 0.00 C ATOM 0 H VAL A 38 3.550 5.969 22.875 1.00 0.00 H new ATOM 0 HA VAL A 38 5.075 4.232 21.010 1.00 0.00 H new ATOM 0 HB VAL A 38 4.343 3.937 23.891 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.072 2.074 23.923 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.698 1.710 22.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.245 2.253 22.161 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.804 4.288 24.361 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.051 4.640 22.634 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.037 5.715 23.626 1.00 0.00 H new ATOM 588 N SER A 39 3.279 2.753 20.251 1.00 0.00 N ATOM 589 CA SER A 39 2.408 1.630 19.824 1.00 0.00 C ATOM 590 C SER A 39 3.222 0.321 20.019 1.00 0.00 C ATOM 591 O SER A 39 4.095 -0.005 19.204 1.00 0.00 O ATOM 592 CB SER A 39 1.976 1.836 18.355 1.00 0.00 C ATOM 593 OG SER A 39 1.214 3.026 18.199 1.00 0.00 O ATOM 0 H SER A 39 4.010 2.976 19.576 1.00 0.00 H new ATOM 0 HA SER A 39 1.494 1.578 20.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.859 1.882 17.718 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.388 0.980 18.024 1.00 0.00 H new ATOM 0 HG SER A 39 0.957 3.129 17.259 1.00 0.00 H new ATOM 599 N GLU A 40 2.961 -0.396 21.128 1.00 0.00 N ATOM 600 CA GLU A 40 3.780 -1.565 21.549 1.00 0.00 C ATOM 601 C GLU A 40 3.021 -2.868 21.193 1.00 0.00 C ATOM 602 O GLU A 40 2.050 -3.224 21.866 1.00 0.00 O ATOM 603 CB GLU A 40 4.091 -1.455 23.068 1.00 0.00 C ATOM 604 CG GLU A 40 5.017 -2.559 23.628 1.00 0.00 C ATOM 605 CD GLU A 40 5.312 -2.381 25.118 1.00 0.00 C ATOM 606 OE1 GLU A 40 4.543 -2.908 25.953 1.00 0.00 O ATOM 607 OE2 GLU A 40 6.313 -1.712 25.462 1.00 0.00 O ATOM 0 H GLU A 40 2.185 -0.190 21.757 1.00 0.00 H new ATOM 0 HA GLU A 40 4.734 -1.582 21.022 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.550 -0.485 23.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.150 -1.477 23.618 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.554 -3.532 23.467 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.955 -2.557 23.073 1.00 0.00 H new ATOM 614 N ILE A 41 3.513 -3.594 20.171 1.00 0.00 N ATOM 615 CA ILE A 41 2.978 -4.933 19.804 1.00 0.00 C ATOM 616 C ILE A 41 3.739 -5.976 20.679 1.00 0.00 C ATOM 617 O ILE A 41 4.972 -6.029 20.655 1.00 0.00 O ATOM 618 CB ILE A 41 3.106 -5.265 18.274 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.559 -4.175 17.308 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.438 -6.631 17.944 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.069 -4.307 15.865 1.00 0.00 C ATOM 0 H ILE A 41 4.282 -3.280 19.579 1.00 0.00 H new ATOM 0 HA ILE A 41 1.905 -4.956 19.996 1.00 0.00 H new ATOM 0 HB ILE A 41 4.181 -5.307 18.098 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.470 -4.221 17.303 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.835 -3.193 17.692 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.540 -6.838 16.879 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.925 -7.421 18.516 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.381 -6.592 18.206 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.643 -3.511 15.254 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.156 -4.229 15.855 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.770 -5.274 15.461 1.00 0.00 H new ATOM 633 N VAL A 42 2.985 -6.814 21.407 1.00 0.00 N ATOM 634 CA VAL A 42 3.544 -7.971 22.160 1.00 0.00 C ATOM 635 C VAL A 42 3.098 -9.241 21.370 1.00 0.00 C ATOM 636 O VAL A 42 1.959 -9.704 21.494 1.00 0.00 O ATOM 637 CB VAL A 42 3.108 -7.955 23.666 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.677 -9.154 24.461 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.501 -6.655 24.415 1.00 0.00 C ATOM 0 H VAL A 42 1.973 -6.718 21.497 1.00 0.00 H new ATOM 0 HA VAL A 42 4.632 -7.940 22.219 1.00 0.00 H new ATOM 0 HB VAL A 42 2.021 -8.019 23.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.345 -9.094 25.497 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.322 -10.085 24.019 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.766 -9.129 24.427 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.167 -6.717 25.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.584 -6.534 24.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.029 -5.800 23.932 1.00 0.00 H new ATOM 649 N GLN A 43 4.028 -9.785 20.561 1.00 0.00 N ATOM 650 CA GLN A 43 3.794 -10.998 19.735 1.00 0.00 C ATOM 651 C GLN A 43 4.262 -12.248 20.531 1.00 0.00 C ATOM 652 O GLN A 43 5.426 -12.346 20.933 1.00 0.00 O ATOM 653 CB GLN A 43 4.534 -10.800 18.384 1.00 0.00 C ATOM 654 CG GLN A 43 4.403 -11.917 17.321 1.00 0.00 C ATOM 655 CD GLN A 43 5.427 -13.059 17.415 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.127 -14.152 17.892 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.647 -12.843 16.948 1.00 0.00 N ATOM 0 H GLN A 43 4.966 -9.399 20.458 1.00 0.00 H new ATOM 0 HA GLN A 43 2.739 -11.155 19.511 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.178 -9.871 17.940 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.594 -10.664 18.599 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.403 -12.345 17.394 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.484 -11.463 16.333 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.889 -11.934 16.554 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.345 -13.586 16.982 1.00 0.00 H new ATOM 666 N ASN A 44 3.328 -13.191 20.737 1.00 0.00 N ATOM 667 CA ASN A 44 3.570 -14.441 21.500 1.00 0.00 C ATOM 668 C ASN A 44 2.935 -15.633 20.725 1.00 0.00 C ATOM 669 O ASN A 44 1.785 -16.013 20.966 1.00 0.00 O ATOM 670 CB ASN A 44 3.134 -14.295 22.991 1.00 0.00 C ATOM 671 CG ASN A 44 1.655 -13.966 23.312 1.00 0.00 C ATOM 672 OD1 ASN A 44 1.160 -12.876 23.022 1.00 0.00 O ATOM 673 ND2 ASN A 44 0.935 -14.885 23.935 1.00 0.00 N ATOM 0 H ASN A 44 2.376 -13.113 20.379 1.00 0.00 H new ATOM 0 HA ASN A 44 4.637 -14.654 21.570 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.381 -15.227 23.499 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.749 -13.515 23.439 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.037 -14.693 24.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.352 -15.785 24.172 1.00 0.00 H new ATOM 680 N GLY A 45 3.693 -16.192 19.758 1.00 0.00 N ATOM 681 CA GLY A 45 3.199 -17.253 18.849 1.00 0.00 C ATOM 682 C GLY A 45 2.158 -16.750 17.823 1.00 0.00 C ATOM 683 O GLY A 45 2.395 -15.770 17.108 1.00 0.00 O ATOM 0 H GLY A 45 4.661 -15.923 19.584 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.045 -17.685 18.314 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.755 -18.052 19.443 1.00 0.00 H new ATOM 687 N LYS A 46 0.990 -17.413 17.806 1.00 0.00 N ATOM 688 CA LYS A 46 -0.226 -16.889 17.113 1.00 0.00 C ATOM 689 C LYS A 46 -0.981 -15.719 17.830 1.00 0.00 C ATOM 690 O LYS A 46 -1.699 -14.983 17.152 1.00 0.00 O ATOM 691 CB LYS A 46 -1.193 -18.049 16.742 1.00 0.00 C ATOM 692 CG LYS A 46 -1.892 -18.795 17.907 1.00 0.00 C ATOM 693 CD LYS A 46 -2.936 -19.822 17.428 1.00 0.00 C ATOM 694 CE LYS A 46 -3.712 -20.457 18.597 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.721 -21.418 18.121 1.00 0.00 N ATOM 0 H LYS A 46 0.850 -18.315 18.261 1.00 0.00 H new ATOM 0 HA LYS A 46 0.160 -16.425 16.205 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.966 -17.647 16.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.633 -18.782 16.161 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.139 -19.305 18.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.379 -18.067 18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.638 -19.334 16.751 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.436 -20.606 16.858 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.015 -20.962 19.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.200 -19.674 19.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.224 -21.825 18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.401 -20.930 17.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.252 -22.178 17.588 1.00 0.00 H new ATOM 709 N HIS A 47 -0.859 -15.563 19.165 1.00 0.00 N ATOM 710 CA HIS A 47 -1.608 -14.549 19.952 1.00 0.00 C ATOM 711 C HIS A 47 -0.853 -13.193 19.962 1.00 0.00 C ATOM 712 O HIS A 47 0.356 -13.125 20.198 1.00 0.00 O ATOM 713 CB HIS A 47 -1.821 -15.056 21.405 1.00 0.00 C ATOM 714 CG HIS A 47 -2.887 -16.147 21.543 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.625 -17.505 21.543 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.273 -15.927 21.640 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.902 -17.989 21.634 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.969 -17.127 21.697 1.00 0.00 N ATOM 0 H HIS A 47 -0.237 -16.137 19.734 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.580 -14.395 19.483 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.874 -15.439 21.786 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.099 -14.211 22.035 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.736 -14.951 21.667 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.071 -19.055 21.656 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.970 -17.312 21.765 1.00 0.00 H new ATOM 726 N PHE A 48 -1.615 -12.124 19.704 1.00 0.00 N ATOM 727 CA PHE A 48 -1.092 -10.735 19.606 1.00 0.00 C ATOM 728 C PHE A 48 -1.928 -9.779 20.504 1.00 0.00 C ATOM 729 O PHE A 48 -3.135 -9.956 20.697 1.00 0.00 O ATOM 730 CB PHE A 48 -1.176 -10.245 18.133 1.00 0.00 C ATOM 731 CG PHE A 48 -0.077 -10.711 17.158 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.087 -12.008 16.636 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.854 -9.788 16.669 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.826 -12.380 15.652 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.740 -10.149 15.660 1.00 0.00 C ATOM 736 CZ PHE A 48 1.725 -11.443 15.149 1.00 0.00 C ATOM 0 H PHE A 48 -2.622 -12.187 19.554 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.055 -10.731 19.941 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.138 -10.561 17.729 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.176 -9.155 18.142 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.808 -12.726 16.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.885 -8.789 17.078 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.837 -13.394 15.280 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.441 -9.424 15.273 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.411 -11.721 14.362 1.00 0.00 H new ATOM 746 N LYS A 49 -1.271 -8.707 20.984 1.00 0.00 N ATOM 747 CA LYS A 49 -1.958 -7.523 21.574 1.00 0.00 C ATOM 748 C LYS A 49 -1.142 -6.237 21.280 1.00 0.00 C ATOM 749 O LYS A 49 0.089 -6.273 21.206 1.00 0.00 O ATOM 750 CB LYS A 49 -2.324 -7.714 23.076 1.00 0.00 C ATOM 751 CG LYS A 49 -1.206 -7.948 24.120 1.00 0.00 C ATOM 752 CD LYS A 49 -0.421 -6.721 24.627 1.00 0.00 C ATOM 753 CE LYS A 49 -1.261 -5.635 25.328 1.00 0.00 C ATOM 754 NZ LYS A 49 -0.405 -4.585 25.907 1.00 0.00 N ATOM 0 H LYS A 49 -0.254 -8.628 20.978 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.926 -7.410 21.086 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.880 -6.831 23.389 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.008 -8.560 23.138 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.654 -8.439 24.984 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.490 -8.649 23.691 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.347 -7.065 25.320 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.094 -6.267 23.781 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.953 -5.190 24.613 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.864 -6.090 26.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.802 -3.650 25.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.361 -4.703 26.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.553 -4.660 25.509 1.00 0.00 H new ATOM 768 N PHE A 50 -1.832 -5.092 21.116 1.00 0.00 N ATOM 769 CA PHE A 50 -1.181 -3.794 20.795 1.00 0.00 C ATOM 770 C PHE A 50 -1.928 -2.615 21.475 1.00 0.00 C ATOM 771 O PHE A 50 -3.141 -2.465 21.297 1.00 0.00 O ATOM 772 CB PHE A 50 -0.964 -3.598 19.266 1.00 0.00 C ATOM 773 CG PHE A 50 -2.184 -3.402 18.341 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.927 -4.499 17.893 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.530 -2.118 17.903 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.997 -4.313 17.019 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.603 -1.936 17.033 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.334 -3.034 16.590 1.00 0.00 C ATOM 0 H PHE A 50 -2.847 -5.033 21.200 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.177 -3.810 21.218 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.315 -2.732 19.137 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.414 -4.465 18.901 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.671 -5.494 18.225 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.962 -1.264 18.241 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.565 -5.164 16.674 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.867 -0.942 16.702 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.163 -2.893 15.913 1.00 0.00 H new ATOM 788 N THR A 51 -1.194 -1.774 22.232 1.00 0.00 N ATOM 789 CA THR A 51 -1.782 -0.610 22.953 1.00 0.00 C ATOM 790 C THR A 51 -1.190 0.684 22.329 1.00 0.00 C ATOM 791 O THR A 51 0.000 0.977 22.494 1.00 0.00 O ATOM 792 CB THR A 51 -1.568 -0.729 24.491 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.139 -1.947 24.962 1.00 0.00 O ATOM 794 CG2 THR A 51 -2.209 0.412 25.304 1.00 0.00 C ATOM 0 H THR A 51 -0.188 -1.874 22.365 1.00 0.00 H new ATOM 0 HA THR A 51 -2.865 -0.581 22.832 1.00 0.00 H new ATOM 0 HB THR A 51 -0.489 -0.686 24.637 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.030 -2.005 25.934 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.015 0.256 26.365 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.781 1.365 24.993 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.285 0.423 25.130 1.00 0.00 H new ATOM 802 N ILE A 52 -2.049 1.455 21.634 1.00 0.00 N ATOM 803 CA ILE A 52 -1.659 2.734 20.973 1.00 0.00 C ATOM 804 C ILE A 52 -1.991 3.880 21.974 1.00 0.00 C ATOM 805 O ILE A 52 -3.164 4.154 22.246 1.00 0.00 O ATOM 806 CB ILE A 52 -2.355 2.930 19.572 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.068 1.755 18.587 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.957 4.288 18.924 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.782 1.784 17.227 1.00 0.00 C ATOM 0 H ILE A 52 -3.033 1.217 21.510 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.593 2.731 20.744 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.428 2.936 19.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.994 1.724 18.403 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.333 0.823 19.087 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.454 4.391 17.960 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.260 5.106 19.578 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.877 4.320 18.780 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.491 0.910 16.645 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.861 1.774 17.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.501 2.689 16.688 1.00 0.00 H new ATOM 821 N THR A 53 -0.942 4.576 22.450 1.00 0.00 N ATOM 822 CA THR A 53 -1.084 5.871 23.168 1.00 0.00 C ATOM 823 C THR A 53 -0.568 6.966 22.188 1.00 0.00 C ATOM 824 O THR A 53 0.636 7.058 21.925 1.00 0.00 O ATOM 825 CB THR A 53 -0.340 5.833 24.535 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.841 4.761 25.331 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.506 7.120 25.365 1.00 0.00 C ATOM 0 H THR A 53 0.025 4.265 22.352 1.00 0.00 H new ATOM 0 HA THR A 53 -2.118 6.090 23.435 1.00 0.00 H new ATOM 0 HB THR A 53 0.715 5.711 24.289 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.368 4.742 26.189 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.039 7.021 26.304 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.112 7.968 24.804 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.563 7.284 25.575 1.00 0.00 H new ATOM 835 N ALA A 54 -1.499 7.779 21.651 1.00 0.00 N ATOM 836 CA ALA A 54 -1.184 8.838 20.657 1.00 0.00 C ATOM 837 C ALA A 54 -0.815 10.166 21.373 1.00 0.00 C ATOM 838 O ALA A 54 0.323 10.335 21.823 1.00 0.00 O ATOM 839 CB ALA A 54 -2.309 8.854 19.593 1.00 0.00 C ATOM 0 H ALA A 54 -2.489 7.725 21.890 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.278 8.640 20.085 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.098 9.625 18.852 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.359 7.882 19.101 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.263 9.066 20.076 1.00 0.00 H new ATOM 845 N GLY A 55 -1.794 11.063 21.507 1.00 0.00 N ATOM 846 CA GLY A 55 -1.699 12.266 22.366 1.00 0.00 C ATOM 847 C GLY A 55 -2.024 11.927 23.832 1.00 0.00 C ATOM 848 O GLY A 55 -1.129 11.513 24.575 1.00 0.00 O ATOM 0 H GLY A 55 -2.687 10.982 21.022 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.695 12.685 22.300 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.388 13.030 22.005 1.00 0.00 H new ATOM 852 N SER A 56 -3.308 12.047 24.212 1.00 0.00 N ATOM 853 CA SER A 56 -3.846 11.378 25.428 1.00 0.00 C ATOM 854 C SER A 56 -5.076 10.534 25.001 1.00 0.00 C ATOM 855 O SER A 56 -6.227 10.939 25.201 1.00 0.00 O ATOM 856 CB SER A 56 -4.156 12.428 26.516 1.00 0.00 C ATOM 857 OG SER A 56 -4.551 11.798 27.730 1.00 0.00 O ATOM 0 H SER A 56 -3.998 12.598 23.701 1.00 0.00 H new ATOM 0 HA SER A 56 -3.117 10.702 25.875 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.276 13.046 26.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.949 13.092 26.171 1.00 0.00 H new ATOM 0 HG SER A 56 -4.741 12.481 28.406 1.00 0.00 H new ATOM 863 N LYS A 57 -4.816 9.364 24.381 1.00 0.00 N ATOM 864 CA LYS A 57 -5.885 8.508 23.810 1.00 0.00 C ATOM 865 C LYS A 57 -5.374 7.042 23.845 1.00 0.00 C ATOM 866 O LYS A 57 -4.640 6.608 22.951 1.00 0.00 O ATOM 867 CB LYS A 57 -6.267 9.008 22.385 1.00 0.00 C ATOM 868 CG LYS A 57 -7.564 8.401 21.811 1.00 0.00 C ATOM 869 CD LYS A 57 -7.901 8.946 20.407 1.00 0.00 C ATOM 870 CE LYS A 57 -9.276 8.479 19.898 1.00 0.00 C ATOM 871 NZ LYS A 57 -9.544 8.979 18.539 1.00 0.00 N ATOM 0 H LYS A 57 -3.876 8.988 24.261 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.806 8.561 24.391 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.371 10.093 22.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.446 8.784 21.704 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.463 7.317 21.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.391 8.614 22.488 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.879 10.036 20.431 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.131 8.627 19.704 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.316 7.390 19.901 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.055 8.828 20.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.561 8.902 18.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.252 9.975 18.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.009 8.414 17.849 1.00 0.00 H new ATOM 885 N VAL A 58 -5.767 6.297 24.896 1.00 0.00 N ATOM 886 CA VAL A 58 -5.262 4.918 25.162 1.00 0.00 C ATOM 887 C VAL A 58 -6.292 3.919 24.551 1.00 0.00 C ATOM 888 O VAL A 58 -7.453 3.875 24.975 1.00 0.00 O ATOM 889 CB VAL A 58 -5.015 4.684 26.695 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.506 3.258 27.017 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.020 5.690 27.325 1.00 0.00 C ATOM 0 H VAL A 58 -6.441 6.624 25.588 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.290 4.763 24.693 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.002 4.833 27.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.355 3.160 28.092 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.242 2.525 26.686 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.562 3.083 26.500 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.899 5.467 28.385 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.055 5.609 26.825 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.405 6.703 27.209 1.00 0.00 H new ATOM 901 N ILE A 59 -5.839 3.121 23.567 1.00 0.00 N ATOM 902 CA ILE A 59 -6.697 2.135 22.852 1.00 0.00 C ATOM 903 C ILE A 59 -5.997 0.755 23.036 1.00 0.00 C ATOM 904 O ILE A 59 -5.000 0.469 22.367 1.00 0.00 O ATOM 905 CB ILE A 59 -6.924 2.539 21.350 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.657 3.907 21.192 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.700 1.444 20.574 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.726 4.468 19.764 1.00 0.00 C ATOM 0 H ILE A 59 -4.873 3.135 23.240 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.706 2.097 23.262 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.927 2.643 20.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.674 3.798 21.569 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.159 4.640 21.826 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.838 1.759 19.540 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.135 0.512 20.597 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.674 1.290 21.039 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.256 5.420 19.772 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.716 4.619 19.383 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.255 3.764 19.122 1.00 0.00 H new ATOM 920 N GLN A 60 -6.569 -0.103 23.899 1.00 0.00 N ATOM 921 CA GLN A 60 -6.080 -1.493 24.114 1.00 0.00 C ATOM 922 C GLN A 60 -6.796 -2.463 23.131 1.00 0.00 C ATOM 923 O GLN A 60 -8.029 -2.524 23.075 1.00 0.00 O ATOM 924 CB GLN A 60 -6.316 -1.914 25.591 1.00 0.00 C ATOM 925 CG GLN A 60 -5.319 -1.289 26.596 1.00 0.00 C ATOM 926 CD GLN A 60 -5.686 -1.549 28.065 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.291 -2.554 28.656 1.00 0.00 O ATOM 928 NE2 GLN A 60 -6.440 -0.651 28.682 1.00 0.00 N ATOM 0 H GLN A 60 -7.380 0.138 24.469 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.009 -1.537 23.916 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.329 -1.634 25.879 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.253 -3.000 25.662 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.323 -1.687 26.403 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.271 -0.213 26.427 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.760 0.177 28.180 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.700 -0.788 29.659 1.00 0.00 H new ATOM 937 N ASN A 61 -5.985 -3.211 22.363 1.00 0.00 N ATOM 938 CA ASN A 61 -6.469 -4.137 21.299 1.00 0.00 C ATOM 939 C ASN A 61 -5.902 -5.563 21.554 1.00 0.00 C ATOM 940 O ASN A 61 -4.792 -5.718 22.074 1.00 0.00 O ATOM 941 CB ASN A 61 -6.003 -3.651 19.898 1.00 0.00 C ATOM 942 CG ASN A 61 -6.437 -2.241 19.455 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.680 -1.279 19.580 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.641 -2.090 18.932 1.00 0.00 N ATOM 0 H ASN A 61 -4.969 -3.197 22.455 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.559 -4.156 21.325 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.914 -3.691 19.873 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.366 -4.363 19.157 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.952 -1.168 18.626 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.259 -2.895 18.834 1.00 0.00 H new ATOM 951 N GLU A 62 -6.650 -6.610 21.147 1.00 0.00 N ATOM 952 CA GLU A 62 -6.171 -8.018 21.225 1.00 0.00 C ATOM 953 C GLU A 62 -6.734 -8.803 20.010 1.00 0.00 C ATOM 954 O GLU A 62 -7.950 -8.854 19.794 1.00 0.00 O ATOM 955 CB GLU A 62 -6.528 -8.662 22.596 1.00 0.00 C ATOM 956 CG GLU A 62 -5.786 -9.978 22.943 1.00 0.00 C ATOM 957 CD GLU A 62 -6.329 -11.257 22.290 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.544 -11.532 22.397 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.535 -11.998 21.668 1.00 0.00 O ATOM 0 H GLU A 62 -7.589 -6.513 20.760 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.083 -8.049 21.170 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.322 -7.934 23.381 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.600 -8.857 22.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.740 -9.866 22.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.810 -10.109 24.025 1.00 0.00 H new ATOM 966 N PHE A 63 -5.821 -9.433 19.246 1.00 0.00 N ATOM 967 CA PHE A 63 -6.174 -10.295 18.087 1.00 0.00 C ATOM 968 C PHE A 63 -5.394 -11.645 18.101 1.00 0.00 C ATOM 969 O PHE A 63 -4.465 -11.858 18.883 1.00 0.00 O ATOM 970 CB PHE A 63 -6.043 -9.486 16.759 1.00 0.00 C ATOM 971 CG PHE A 63 -4.625 -9.195 16.225 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.000 -10.099 15.357 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.961 -8.016 16.577 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.743 -9.817 14.834 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.707 -7.731 16.042 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.103 -8.629 15.167 1.00 0.00 C ATOM 0 H PHE A 63 -4.817 -9.363 19.410 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.220 -10.591 18.167 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.587 -10.026 15.984 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.550 -8.531 16.898 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.497 -11.020 15.092 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.422 -7.324 17.266 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.264 -10.521 14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.203 -6.813 16.306 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.135 -8.402 14.746 1.00 0.00 H new ATOM 986 N THR A 64 -5.779 -12.552 17.187 1.00 0.00 N ATOM 987 CA THR A 64 -5.021 -13.799 16.900 1.00 0.00 C ATOM 988 C THR A 64 -4.959 -13.949 15.345 1.00 0.00 C ATOM 989 O THR A 64 -5.960 -13.741 14.647 1.00 0.00 O ATOM 990 CB THR A 64 -5.672 -15.012 17.633 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.829 -14.732 19.022 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.850 -16.305 17.544 1.00 0.00 C ATOM 0 H THR A 64 -6.622 -12.449 16.623 1.00 0.00 H new ATOM 0 HA THR A 64 -4.001 -13.758 17.281 1.00 0.00 H new ATOM 0 HB THR A 64 -6.626 -15.161 17.128 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.240 -15.503 19.467 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.367 -17.103 18.077 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.728 -16.587 16.498 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.870 -16.145 17.993 1.00 0.00 H new ATOM 1000 N VAL A 65 -3.775 -14.311 14.803 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.542 -14.399 13.326 1.00 0.00 C ATOM 1002 C VAL A 65 -4.353 -15.550 12.653 1.00 0.00 C ATOM 1003 O VAL A 65 -4.356 -16.693 13.123 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.030 -14.448 12.908 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.379 -13.053 12.955 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.150 -15.472 13.655 1.00 0.00 C ATOM 0 H VAL A 65 -2.956 -14.550 15.362 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.926 -13.454 12.942 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.069 -14.808 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.333 -13.130 12.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.902 -12.384 12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.441 -12.656 13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.128 -15.414 13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.160 -15.250 14.722 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.540 -16.476 13.490 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.070 -15.196 11.570 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.092 -16.080 10.955 1.00 0.00 C ATOM 1018 C GLY A 66 -7.404 -16.355 11.737 1.00 0.00 C ATOM 1019 O GLY A 66 -8.035 -17.387 11.499 1.00 0.00 O ATOM 0 H GLY A 66 -4.963 -14.299 11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.365 -15.650 9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.620 -17.041 10.753 1.00 0.00 H new ATOM 1023 N GLU A 67 -7.814 -15.437 12.632 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.059 -15.543 13.435 1.00 0.00 C ATOM 1025 C GLU A 67 -9.758 -14.158 13.413 1.00 0.00 C ATOM 1026 O GLU A 67 -9.103 -13.110 13.505 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.752 -15.939 14.911 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.129 -17.331 15.168 1.00 0.00 C ATOM 1029 CD GLU A 67 -9.063 -18.506 14.866 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -9.916 -18.834 15.721 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -8.950 -19.107 13.775 1.00 0.00 O ATOM 0 H GLU A 67 -7.286 -14.586 12.825 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.696 -16.317 13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.079 -15.189 15.326 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.683 -15.879 15.475 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.230 -17.431 14.560 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.817 -17.389 16.211 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.106 -14.158 13.364 1.00 0.00 N ATOM 1039 CA GLU A 68 -11.912 -12.913 13.514 1.00 0.00 C ATOM 1040 C GLU A 68 -11.873 -12.415 14.987 1.00 0.00 C ATOM 1041 O GLU A 68 -12.191 -13.154 15.926 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.348 -13.049 12.934 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.310 -14.103 13.534 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.091 -13.664 14.780 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.900 -12.716 14.686 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.909 -14.276 15.855 1.00 0.00 O ATOM 0 H GLU A 68 -11.665 -15.000 13.222 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.451 -12.136 12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.831 -12.076 13.023 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.253 -13.261 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.025 -14.394 12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.732 -14.993 13.785 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.409 -11.170 15.158 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.166 -10.563 16.488 1.00 0.00 C ATOM 1055 C CYS A 69 -11.641 -9.092 16.468 1.00 0.00 C ATOM 1056 O CYS A 69 -11.338 -8.321 15.548 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.676 -10.643 16.867 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.192 -12.370 17.204 1.00 0.00 S ATOM 0 H CYS A 69 -11.189 -10.548 14.380 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.728 -11.117 17.240 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.067 -10.240 16.058 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.485 -10.028 17.746 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.189 -13.160 16.936 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.379 -8.718 17.527 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.028 -7.391 17.635 1.00 0.00 C ATOM 1066 C GLU A 70 -12.016 -6.293 18.073 1.00 0.00 C ATOM 1067 O GLU A 70 -11.542 -6.287 19.214 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.324 -7.506 18.482 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.193 -7.865 19.982 1.00 0.00 C ATOM 1070 CD GLU A 70 -15.553 -7.997 20.671 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -16.145 -9.099 20.636 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -16.038 -7.000 21.250 1.00 0.00 O ATOM 0 H GLU A 70 -12.545 -9.322 18.332 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.358 -7.047 16.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.851 -6.555 18.413 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.960 -8.258 18.015 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.646 -8.802 20.082 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.606 -7.098 20.487 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.663 -5.396 17.131 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.658 -4.326 17.365 1.00 0.00 C ATOM 1081 C LEU A 71 -11.408 -3.025 17.740 1.00 0.00 C ATOM 1082 O LEU A 71 -12.228 -2.534 16.957 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.775 -4.079 16.104 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.825 -5.219 15.639 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.137 -4.839 14.312 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.749 -5.581 16.684 1.00 0.00 C ATOM 0 H LEU A 71 -12.060 -5.388 16.191 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.995 -4.637 18.172 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.439 -3.839 15.274 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.167 -3.194 16.291 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.454 -6.099 15.502 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.476 -5.647 14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.893 -4.673 13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.555 -3.928 14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.120 -6.383 16.296 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.134 -4.705 16.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.232 -5.911 17.604 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.094 -2.443 18.912 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.676 -1.143 19.342 1.00 0.00 C ATOM 1100 C GLU A 72 -11.045 0.009 18.506 1.00 0.00 C ATOM 1101 O GLU A 72 -9.910 0.416 18.757 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.490 -0.970 20.877 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.430 0.050 21.560 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.218 1.526 21.200 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.168 2.100 21.564 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -13.107 2.116 20.546 1.00 0.00 O ATOM 0 H GLU A 72 -10.441 -2.847 19.583 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.749 -1.116 19.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.632 -1.941 21.352 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.460 -0.669 21.067 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.458 -0.216 21.315 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.322 -0.057 22.639 1.00 0.00 H new ATOM 1113 N THR A 73 -11.780 0.500 17.492 1.00 0.00 N ATOM 1114 CA THR A 73 -11.256 1.524 16.541 1.00 0.00 C ATOM 1115 C THR A 73 -11.357 2.976 17.098 1.00 0.00 C ATOM 1116 O THR A 73 -12.109 3.270 18.034 1.00 0.00 O ATOM 1117 CB THR A 73 -11.938 1.379 15.143 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.360 1.306 15.247 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.417 0.172 14.348 1.00 0.00 C ATOM 0 H THR A 73 -12.739 0.211 17.302 1.00 0.00 H new ATOM 0 HA THR A 73 -10.190 1.333 16.416 1.00 0.00 H new ATOM 0 HB THR A 73 -11.670 2.283 14.596 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.749 1.218 14.352 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.927 0.122 13.386 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.345 0.279 14.185 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.609 -0.743 14.908 1.00 0.00 H new ATOM 1127 N MET A 74 -10.590 3.884 16.461 1.00 0.00 N ATOM 1128 CA MET A 74 -10.611 5.354 16.728 1.00 0.00 C ATOM 1129 C MET A 74 -12.023 6.027 16.803 1.00 0.00 C ATOM 1130 O MET A 74 -12.258 6.798 17.737 1.00 0.00 O ATOM 1131 CB MET A 74 -9.721 6.074 15.675 1.00 0.00 C ATOM 1132 CG MET A 74 -8.208 5.793 15.742 1.00 0.00 C ATOM 1133 SD MET A 74 -7.495 6.597 17.191 1.00 0.00 S ATOM 1134 CE MET A 74 -5.742 6.262 16.936 1.00 0.00 C ATOM 0 H MET A 74 -9.925 3.622 15.733 1.00 0.00 H new ATOM 0 HA MET A 74 -10.217 5.468 17.738 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.075 5.796 14.682 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.873 7.148 15.778 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.031 4.718 15.788 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.722 6.158 14.837 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.166 6.697 17.753 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.578 5.185 16.910 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.421 6.701 15.991 1.00 0.00 H new ATOM 1144 N THR A 75 -12.949 5.710 15.870 1.00 0.00 N ATOM 1145 CA THR A 75 -14.389 6.059 16.003 1.00 0.00 C ATOM 1146 C THR A 75 -15.204 4.807 15.570 1.00 0.00 C ATOM 1147 O THR A 75 -15.136 4.372 14.414 1.00 0.00 O ATOM 1148 CB THR A 75 -14.766 7.373 15.258 1.00 0.00 C ATOM 1149 OG1 THR A 75 -16.075 7.777 15.648 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.718 7.353 13.721 1.00 0.00 C ATOM 0 H THR A 75 -12.726 5.210 15.010 1.00 0.00 H new ATOM 0 HA THR A 75 -14.636 6.298 17.037 1.00 0.00 H new ATOM 0 HB THR A 75 -13.982 8.069 15.558 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.238 8.695 15.345 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.003 8.332 13.335 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.707 7.114 13.392 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.410 6.599 13.345 1.00 0.00 H new ATOM 1158 N GLY A 76 -15.963 4.235 16.514 1.00 0.00 N ATOM 1159 CA GLY A 76 -16.817 3.063 16.240 1.00 0.00 C ATOM 1160 C GLY A 76 -17.230 2.360 17.542 1.00 0.00 C ATOM 1161 O GLY A 76 -17.666 3.005 18.502 1.00 0.00 O ATOM 0 H GLY A 76 -16.005 4.564 17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.707 3.378 15.695 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.282 2.362 15.599 1.00 0.00 H new ATOM 1165 N GLU A 77 -17.126 1.023 17.538 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.455 0.183 18.720 1.00 0.00 C ATOM 1167 C GLU A 77 -16.289 -0.838 18.871 1.00 0.00 C ATOM 1168 O GLU A 77 -15.235 -0.454 19.387 1.00 0.00 O ATOM 1169 CB GLU A 77 -18.901 -0.412 18.676 1.00 0.00 C ATOM 1170 CG GLU A 77 -20.097 0.561 18.819 1.00 0.00 C ATOM 1171 CD GLU A 77 -20.534 1.269 17.528 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -20.893 0.581 16.547 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -20.531 2.520 17.495 1.00 0.00 O ATOM 0 H GLU A 77 -16.815 0.488 16.727 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.512 0.775 19.633 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.014 -0.942 17.730 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -18.980 -1.155 19.470 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -20.948 0.007 19.214 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -19.839 1.319 19.559 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.462 -2.105 18.442 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.390 -3.132 18.443 1.00 0.00 C ATOM 1182 C LYS A 78 -15.669 -4.005 17.189 1.00 0.00 C ATOM 1183 O LYS A 78 -16.572 -4.851 17.184 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.306 -4.000 19.733 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.947 -3.298 21.062 1.00 0.00 C ATOM 1186 CD LYS A 78 -16.161 -2.820 21.892 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.801 -1.997 23.143 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.147 -2.793 24.201 1.00 0.00 N ATOM 0 H LYS A 78 -17.352 -2.450 18.083 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.417 -2.641 18.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.269 -4.493 19.866 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.568 -4.783 19.560 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.356 -3.983 21.670 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.313 -2.438 20.843 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.808 -2.219 21.252 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.739 -3.691 22.201 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.141 -1.179 22.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.708 -1.547 23.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.932 -2.180 25.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.783 -3.558 24.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.265 -3.202 23.832 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.909 -3.752 16.110 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.195 -4.292 14.753 1.00 0.00 C ATOM 1204 C VAL A 79 -14.503 -5.672 14.544 1.00 0.00 C ATOM 1205 O VAL A 79 -13.272 -5.762 14.515 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.851 -3.211 13.670 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.399 -2.685 13.658 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.218 -3.663 12.246 1.00 0.00 C ATOM 0 H VAL A 79 -14.075 -3.166 16.146 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.260 -4.499 14.645 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.477 -2.377 13.985 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.287 -1.944 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.170 -2.226 14.620 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.713 -3.513 13.480 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.959 -2.877 11.537 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.667 -4.571 11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.288 -3.862 12.192 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.318 -6.729 14.353 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.828 -8.107 14.082 1.00 0.00 C ATOM 1220 C LYS A 80 -14.211 -8.229 12.658 1.00 0.00 C ATOM 1221 O LYS A 80 -14.883 -8.023 11.643 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.915 -9.177 14.378 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.254 -9.096 13.599 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.234 -10.261 13.849 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.792 -10.352 15.284 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.765 -11.450 15.417 1.00 0.00 N ATOM 0 H LYS A 80 -16.335 -6.657 14.381 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.015 -8.312 14.779 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.478 -10.157 14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.146 -9.132 15.442 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.751 -8.162 13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.033 -9.052 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.070 -10.167 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.728 -11.197 13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.972 -10.505 15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.268 -9.408 15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.120 -11.483 16.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.559 -11.291 14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.303 -12.353 15.186 1.00 0.00 H new ATOM 1240 N THR A 81 -12.900 -8.512 12.629 1.00 0.00 N ATOM 1241 CA THR A 81 -12.079 -8.485 11.389 1.00 0.00 C ATOM 1242 C THR A 81 -10.941 -9.537 11.524 1.00 0.00 C ATOM 1243 O THR A 81 -10.243 -9.599 12.543 1.00 0.00 O ATOM 1244 CB THR A 81 -11.571 -7.044 11.061 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.901 -7.049 9.804 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.639 -6.379 12.094 1.00 0.00 C ATOM 0 H THR A 81 -12.369 -8.768 13.462 1.00 0.00 H new ATOM 0 HA THR A 81 -12.690 -8.761 10.529 1.00 0.00 H new ATOM 0 HB THR A 81 -12.481 -6.444 11.064 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.949 -6.860 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.360 -5.385 11.746 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.156 -6.297 13.050 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.741 -6.985 12.217 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.731 -10.330 10.453 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.621 -11.325 10.381 1.00 0.00 C ATOM 1256 C VAL A 82 -8.299 -10.544 10.112 1.00 0.00 C ATOM 1257 O VAL A 82 -8.179 -9.848 9.096 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.881 -12.445 9.312 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.757 -13.511 9.277 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.220 -13.199 9.497 1.00 0.00 C ATOM 0 H VAL A 82 -11.315 -10.306 9.617 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.549 -11.859 11.328 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.912 -11.889 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.989 -14.260 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.809 -13.032 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.681 -13.992 10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.322 -13.955 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.234 -13.681 10.475 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.048 -12.493 9.428 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.324 -10.681 11.031 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.001 -10.008 10.897 1.00 0.00 C ATOM 1272 C VAL A 83 -5.029 -11.088 10.348 1.00 0.00 C ATOM 1273 O VAL A 83 -4.385 -11.815 11.110 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.522 -9.322 12.222 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.224 -8.504 12.004 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.561 -8.401 12.909 1.00 0.00 C ATOM 0 H VAL A 83 -7.419 -11.248 11.874 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.053 -9.166 10.206 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.351 -10.166 12.891 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.922 -8.043 12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.432 -9.165 11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.404 -7.727 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.129 -7.978 13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.839 -7.596 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.447 -8.981 13.166 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.966 -11.196 9.008 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.285 -12.312 8.323 1.00 0.00 C ATOM 1288 C GLN A 84 -2.828 -11.899 8.002 1.00 0.00 C ATOM 1289 O GLN A 84 -2.582 -10.915 7.293 1.00 0.00 O ATOM 1290 CB GLN A 84 -5.117 -12.664 7.056 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.736 -13.986 6.357 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.159 -15.260 7.112 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -6.310 -15.690 7.045 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.248 -15.889 7.839 1.00 0.00 N ATOM 0 H GLN A 84 -5.383 -10.516 8.372 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.224 -13.204 8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.170 -12.711 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.014 -11.851 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.189 -14.000 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.656 -14.007 6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.296 -15.526 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.498 -16.736 8.349 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.872 -12.684 8.526 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.427 -12.458 8.290 1.00 0.00 C ATOM 1305 C LEU A 85 -0.013 -13.041 6.913 1.00 0.00 C ATOM 1306 O LEU A 85 -0.151 -14.242 6.659 1.00 0.00 O ATOM 1307 CB LEU A 85 0.377 -13.073 9.469 1.00 0.00 C ATOM 1308 CG LEU A 85 1.928 -12.971 9.418 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.456 -11.545 9.185 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.554 -13.559 10.694 1.00 0.00 C ATOM 0 H LEU A 85 -2.071 -13.488 9.121 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.206 -11.391 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.040 -12.596 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.113 -14.128 9.541 1.00 0.00 H new ATOM 0 HG LEU A 85 2.230 -13.556 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.546 -11.560 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.079 -11.168 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.118 -10.896 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.639 -13.478 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.194 -13.009 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.273 -14.608 10.787 1.00 0.00 H new ATOM 1322 N GLU A 86 0.518 -12.151 6.060 1.00 0.00 N ATOM 1323 CA GLU A 86 1.126 -12.527 4.761 1.00 0.00 C ATOM 1324 C GLU A 86 2.674 -12.491 4.844 1.00 0.00 C ATOM 1325 O GLU A 86 3.284 -11.657 5.526 1.00 0.00 O ATOM 1326 CB GLU A 86 0.616 -11.627 3.604 1.00 0.00 C ATOM 1327 CG GLU A 86 -0.700 -12.104 2.955 1.00 0.00 C ATOM 1328 CD GLU A 86 -1.976 -11.529 3.578 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -2.466 -12.091 4.580 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -2.502 -10.520 3.059 1.00 0.00 O ATOM 0 H GLU A 86 0.541 -11.148 6.246 1.00 0.00 H new ATOM 0 HA GLU A 86 0.816 -13.549 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.473 -10.615 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.387 -11.573 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.681 -11.843 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.743 -13.192 3.014 1.00 0.00 H new ATOM 1337 N GLY A 87 3.277 -13.447 4.118 1.00 0.00 N ATOM 1338 CA GLY A 87 4.739 -13.686 4.139 1.00 0.00 C ATOM 1339 C GLY A 87 5.262 -14.171 5.510 1.00 0.00 C ATOM 1340 O GLY A 87 4.949 -15.282 5.950 1.00 0.00 O ATOM 0 H GLY A 87 2.769 -14.078 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.989 -14.427 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.254 -12.765 3.867 1.00 0.00 H new ATOM 1344 N ASP A 88 6.024 -13.291 6.174 1.00 0.00 N ATOM 1345 CA ASP A 88 6.434 -13.455 7.604 1.00 0.00 C ATOM 1346 C ASP A 88 6.250 -12.179 8.490 1.00 0.00 C ATOM 1347 O ASP A 88 6.185 -12.309 9.716 1.00 0.00 O ATOM 1348 CB ASP A 88 7.904 -13.956 7.715 1.00 0.00 C ATOM 1349 CG ASP A 88 8.140 -15.397 7.237 1.00 0.00 C ATOM 1350 OD1 ASP A 88 7.841 -16.343 7.997 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.620 -15.584 6.096 1.00 0.00 O ATOM 0 H ASP A 88 6.382 -12.437 5.746 1.00 0.00 H new ATOM 0 HA ASP A 88 5.748 -14.204 7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.543 -13.289 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.220 -13.878 8.755 1.00 0.00 H new ATOM 1356 N ASN A 89 6.201 -10.969 7.901 1.00 0.00 N ATOM 1357 CA ASN A 89 6.196 -9.675 8.631 1.00 0.00 C ATOM 1358 C ASN A 89 5.332 -8.590 7.904 1.00 0.00 C ATOM 1359 O ASN A 89 5.786 -7.464 7.676 1.00 0.00 O ATOM 1360 CB ASN A 89 7.661 -9.252 8.952 1.00 0.00 C ATOM 1361 CG ASN A 89 8.687 -9.172 7.795 1.00 0.00 C ATOM 1362 OD1 ASN A 89 9.407 -10.132 7.522 1.00 0.00 O ATOM 1363 ND2 ASN A 89 8.773 -8.053 7.094 1.00 0.00 N ATOM 0 H ASN A 89 6.163 -10.855 6.888 1.00 0.00 H new ATOM 0 HA ASN A 89 5.694 -9.795 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.624 -8.272 9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.052 -9.951 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.438 -7.984 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.174 -7.260 7.324 1.00 0.00 H new ATOM 1370 N LYS A 90 4.061 -8.920 7.594 1.00 0.00 N ATOM 1371 CA LYS A 90 3.099 -7.978 6.963 1.00 0.00 C ATOM 1372 C LYS A 90 1.654 -8.363 7.399 1.00 0.00 C ATOM 1373 O LYS A 90 1.043 -9.269 6.824 1.00 0.00 O ATOM 1374 CB LYS A 90 3.277 -7.992 5.418 1.00 0.00 C ATOM 1375 CG LYS A 90 2.579 -6.827 4.677 1.00 0.00 C ATOM 1376 CD LYS A 90 1.906 -7.201 3.336 1.00 0.00 C ATOM 1377 CE LYS A 90 2.843 -7.532 2.155 1.00 0.00 C ATOM 1378 NZ LYS A 90 3.439 -8.880 2.229 1.00 0.00 N ATOM 0 H LYS A 90 3.668 -9.844 7.772 1.00 0.00 H new ATOM 0 HA LYS A 90 3.290 -6.957 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.342 -7.965 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.891 -8.935 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.823 -6.401 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.315 -6.046 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.260 -8.062 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.262 -6.374 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.284 -7.442 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.643 -6.792 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.945 -9.085 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.106 -8.922 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.687 -9.585 2.369 1.00 0.00 H new ATOM 1392 N LEU A 91 1.104 -7.653 8.401 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.264 -7.917 8.937 1.00 0.00 C ATOM 1394 C LEU A 91 -1.308 -7.074 8.157 1.00 0.00 C ATOM 1395 O LEU A 91 -1.208 -5.847 8.098 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.338 -7.555 10.445 1.00 0.00 C ATOM 1397 CG LEU A 91 0.529 -8.401 11.414 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.800 -7.623 12.715 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.082 -9.786 11.697 1.00 0.00 C ATOM 0 H LEU A 91 1.584 -6.882 8.866 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.482 -8.978 8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.050 -6.510 10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.378 -7.635 10.762 1.00 0.00 H new ATOM 0 HG LEU A 91 1.483 -8.586 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.410 -8.232 13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.329 -6.699 12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.146 -7.387 13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.565 -10.336 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.067 -9.664 12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.177 -10.339 10.763 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.305 -7.749 7.563 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.260 -7.120 6.605 1.00 0.00 C ATOM 1413 C VAL A 92 -4.684 -7.288 7.219 1.00 0.00 C ATOM 1414 O VAL A 92 -5.152 -8.417 7.406 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.101 -7.748 5.174 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.067 -7.125 4.140 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.665 -7.639 4.600 1.00 0.00 C ATOM 0 H VAL A 92 -2.481 -8.741 7.725 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.064 -6.057 6.462 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.342 -8.800 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.914 -7.596 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.096 -7.284 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.873 -6.055 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.633 -8.094 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.381 -6.589 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.969 -8.157 5.260 1.00 0.00 H new ATOM 1427 N THR A 93 -5.364 -6.158 7.515 1.00 0.00 N ATOM 1428 CA THR A 93 -6.720 -6.169 8.139 1.00 0.00 C ATOM 1429 C THR A 93 -7.578 -4.987 7.612 1.00 0.00 C ATOM 1430 O THR A 93 -7.273 -3.815 7.850 1.00 0.00 O ATOM 1431 CB THR A 93 -6.652 -6.233 9.693 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.956 -6.471 10.209 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.040 -5.038 10.448 1.00 0.00 C ATOM 0 H THR A 93 -5.001 -5.222 7.334 1.00 0.00 H new ATOM 0 HA THR A 93 -7.224 -7.087 7.835 1.00 0.00 H new ATOM 0 HB THR A 93 -5.948 -7.045 9.875 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.037 -6.060 11.095 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.065 -5.234 11.520 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.008 -4.896 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.614 -4.137 10.230 1.00 0.00 H new ATOM 1441 N THR A 94 -8.679 -5.332 6.928 1.00 0.00 N ATOM 1442 CA THR A 94 -9.628 -4.356 6.331 1.00 0.00 C ATOM 1443 C THR A 94 -10.932 -4.300 7.179 1.00 0.00 C ATOM 1444 O THR A 94 -11.585 -5.319 7.425 1.00 0.00 O ATOM 1445 CB THR A 94 -9.823 -4.641 4.813 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.741 -3.706 4.257 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.273 -6.064 4.439 1.00 0.00 C ATOM 0 H THR A 94 -8.946 -6.303 6.767 1.00 0.00 H new ATOM 0 HA THR A 94 -9.220 -3.346 6.367 1.00 0.00 H new ATOM 0 HB THR A 94 -8.823 -4.536 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.857 -3.890 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.375 -6.141 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.531 -6.783 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.233 -6.278 4.909 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.273 -3.080 7.631 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.367 -2.834 8.608 1.00 0.00 C ATOM 1457 C PHE A 95 -13.133 -1.554 8.174 1.00 0.00 C ATOM 1458 O PHE A 95 -12.606 -0.440 8.257 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.846 -2.790 10.081 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.660 -1.861 10.432 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.875 -0.519 10.767 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.351 -2.358 10.410 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.799 0.319 11.045 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.277 -1.520 10.700 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.500 -0.181 11.009 1.00 0.00 C ATOM 0 H PHE A 95 -10.799 -2.228 7.332 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.067 -3.669 8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.684 -2.507 10.718 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.562 -3.805 10.360 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.882 -0.131 10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.174 -3.395 10.167 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.972 1.357 11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.270 -1.909 10.685 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.665 0.470 11.221 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.375 -1.726 7.674 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.221 -0.619 7.113 1.00 0.00 C ATOM 1477 C LYS A 96 -14.527 0.221 5.985 1.00 0.00 C ATOM 1478 O LYS A 96 -14.385 1.445 6.091 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.850 0.268 8.235 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.736 -0.422 9.299 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.062 -1.009 8.765 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.997 -1.579 9.850 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.476 -2.803 10.489 1.00 0.00 N ATOM 0 H LYS A 96 -14.833 -2.637 7.642 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.045 -1.119 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.037 0.774 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.449 1.041 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -16.162 -1.224 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.965 0.300 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.594 -0.230 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.832 -1.800 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.159 -0.820 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.968 -1.796 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.151 -3.134 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.346 -3.542 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.563 -2.597 10.941 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.046 -0.465 4.926 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.138 0.097 3.886 1.00 0.00 C ATOM 1499 C ASN A 97 -11.892 0.905 4.402 1.00 0.00 C ATOM 1500 O ASN A 97 -11.635 2.025 3.949 1.00 0.00 O ATOM 1501 CB ASN A 97 -13.988 0.788 2.776 1.00 0.00 C ATOM 1502 CG ASN A 97 -13.369 0.688 1.373 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.434 -0.353 0.720 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -12.750 1.744 0.882 1.00 0.00 N ATOM 0 H ASN A 97 -14.279 -1.444 4.761 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.614 -0.743 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.981 0.339 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.118 1.839 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.322 1.700 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.699 2.605 1.427 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.130 0.321 5.351 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.866 0.912 5.875 1.00 0.00 C ATOM 1513 C ILE A 98 -8.880 -0.292 5.904 1.00 0.00 C ATOM 1514 O ILE A 98 -8.795 -0.998 6.917 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.014 1.632 7.268 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.052 2.795 7.279 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.648 2.167 7.777 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.499 3.275 8.669 1.00 0.00 C ATOM 0 H ILE A 98 -11.368 -0.573 5.780 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.513 1.728 5.244 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.390 0.859 7.939 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.627 3.642 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.934 2.476 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.786 2.658 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.951 1.337 7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.247 2.882 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.220 4.085 8.560 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.961 2.448 9.208 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.633 3.633 9.226 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.120 -0.500 4.807 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.106 -1.583 4.735 1.00 0.00 C ATOM 1532 C LYS A 99 -5.809 -1.125 5.454 1.00 0.00 C ATOM 1533 O LYS A 99 -5.173 -0.147 5.053 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.874 -2.037 3.273 1.00 0.00 C ATOM 1535 CG LYS A 99 -5.959 -3.282 3.172 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.905 -3.964 1.794 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.385 -3.127 0.606 1.00 0.00 C ATOM 1538 NZ LYS A 99 -3.970 -2.729 0.736 1.00 0.00 N ATOM 0 H LYS A 99 -8.187 0.064 3.960 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.472 -2.467 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.835 -2.259 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.429 -1.217 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.947 -2.989 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.293 -4.015 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.277 -4.851 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.910 -4.308 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.509 -3.700 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.998 -2.231 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.689 -2.171 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.848 -2.156 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.375 -3.579 0.800 1.00 0.00 H new ATOM 1552 N SER A 100 -5.471 -1.856 6.525 1.00 0.00 N ATOM 1553 CA SER A 100 -4.404 -1.464 7.480 1.00 0.00 C ATOM 1554 C SER A 100 -3.227 -2.455 7.336 1.00 0.00 C ATOM 1555 O SER A 100 -3.288 -3.589 7.823 1.00 0.00 O ATOM 1556 CB SER A 100 -4.981 -1.425 8.911 1.00 0.00 C ATOM 1557 OG SER A 100 -4.034 -0.884 9.824 1.00 0.00 O ATOM 0 H SER A 100 -5.925 -2.738 6.761 1.00 0.00 H new ATOM 0 HA SER A 100 -4.028 -0.464 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.890 -0.824 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.259 -2.432 9.223 1.00 0.00 H new ATOM 0 HG SER A 100 -4.420 -0.867 10.724 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.171 -2.004 6.639 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.017 -2.868 6.272 1.00 0.00 C ATOM 1565 C VAL A 101 0.140 -2.478 7.225 1.00 0.00 C ATOM 1566 O VAL A 101 0.840 -1.489 6.999 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.656 -2.737 4.756 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.573 -3.582 4.345 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.831 -3.162 3.846 1.00 0.00 C ATOM 0 H VAL A 101 -2.085 -1.041 6.313 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.250 -3.926 6.396 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.426 -1.680 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.769 -3.446 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.443 -3.262 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.374 -4.635 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.539 -3.056 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.089 -4.202 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.695 -2.528 4.047 1.00 0.00 H new ATOM 1579 N THR A 102 0.320 -3.294 8.272 1.00 0.00 N ATOM 1580 CA THR A 102 1.359 -3.074 9.315 1.00 0.00 C ATOM 1581 C THR A 102 2.611 -3.910 8.914 1.00 0.00 C ATOM 1582 O THR A 102 2.771 -5.063 9.329 1.00 0.00 O ATOM 1583 CB THR A 102 0.763 -3.416 10.714 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.439 -2.691 10.948 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.703 -3.116 11.889 1.00 0.00 C ATOM 0 H THR A 102 -0.245 -4.128 8.430 1.00 0.00 H new ATOM 0 HA THR A 102 1.677 -2.034 9.385 1.00 0.00 H new ATOM 0 HB THR A 102 0.588 -4.491 10.676 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.795 -2.924 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.212 -3.382 12.825 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.618 -3.698 11.781 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.948 -2.054 11.897 1.00 0.00 H new ATOM 1593 N GLU A 103 3.473 -3.307 8.074 1.00 0.00 N ATOM 1594 CA GLU A 103 4.645 -3.991 7.476 1.00 0.00 C ATOM 1595 C GLU A 103 5.918 -3.573 8.252 1.00 0.00 C ATOM 1596 O GLU A 103 6.266 -2.390 8.316 1.00 0.00 O ATOM 1597 CB GLU A 103 4.736 -3.627 5.971 1.00 0.00 C ATOM 1598 CG GLU A 103 5.779 -4.452 5.183 1.00 0.00 C ATOM 1599 CD GLU A 103 5.861 -4.054 3.708 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.043 -4.548 2.901 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.745 -3.244 3.349 1.00 0.00 O ATOM 0 H GLU A 103 3.380 -2.332 7.788 1.00 0.00 H new ATOM 0 HA GLU A 103 4.544 -5.074 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.757 -3.769 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.981 -2.569 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.759 -4.325 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.528 -5.510 5.255 1.00 0.00 H new ATOM 1608 N LEU A 104 6.622 -4.571 8.801 1.00 0.00 N ATOM 1609 CA LEU A 104 7.866 -4.345 9.585 1.00 0.00 C ATOM 1610 C LEU A 104 9.074 -4.236 8.613 1.00 0.00 C ATOM 1611 O LEU A 104 9.460 -5.231 7.990 1.00 0.00 O ATOM 1612 CB LEU A 104 8.028 -5.501 10.615 1.00 0.00 C ATOM 1613 CG LEU A 104 8.752 -5.178 11.949 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.718 -6.421 12.860 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.203 -4.688 11.798 1.00 0.00 C ATOM 0 H LEU A 104 6.358 -5.553 8.722 1.00 0.00 H new ATOM 0 HA LEU A 104 7.815 -3.409 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.034 -5.879 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.568 -6.312 10.127 1.00 0.00 H new ATOM 0 HG LEU A 104 8.207 -4.343 12.389 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.226 -6.198 13.798 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.683 -6.695 13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.221 -7.250 12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.624 -4.488 12.783 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.796 -5.454 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.218 -3.774 11.205 1.00 0.00 H new ATOM 1627 N ASN A 105 9.658 -3.032 8.482 1.00 0.00 N ATOM 1628 CA ASN A 105 10.820 -2.794 7.576 1.00 0.00 C ATOM 1629 C ASN A 105 12.108 -2.598 8.429 1.00 0.00 C ATOM 1630 O ASN A 105 12.593 -1.473 8.601 1.00 0.00 O ATOM 1631 CB ASN A 105 10.546 -1.613 6.601 1.00 0.00 C ATOM 1632 CG ASN A 105 9.441 -1.847 5.551 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.690 -2.345 4.453 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.207 -1.494 5.869 1.00 0.00 N ATOM 0 H ASN A 105 9.352 -2.201 8.988 1.00 0.00 H new ATOM 0 HA ASN A 105 10.973 -3.666 6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.280 -0.735 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.473 -1.377 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.449 -1.633 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.014 -1.082 6.782 1.00 0.00 H new ATOM 1641 N GLY A 106 12.655 -3.713 8.960 1.00 0.00 N ATOM 1642 CA GLY A 106 13.894 -3.696 9.775 1.00 0.00 C ATOM 1643 C GLY A 106 13.635 -3.327 11.249 1.00 0.00 C ATOM 1644 O GLY A 106 13.303 -4.190 12.064 1.00 0.00 O ATOM 0 H GLY A 106 12.256 -4.644 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.367 -4.677 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.597 -2.982 9.345 1.00 0.00 H new ATOM 1648 N ASP A 107 13.763 -2.026 11.548 1.00 0.00 N ATOM 1649 CA ASP A 107 13.197 -1.405 12.783 1.00 0.00 C ATOM 1650 C ASP A 107 11.859 -0.643 12.505 1.00 0.00 C ATOM 1651 O ASP A 107 10.943 -0.717 13.327 1.00 0.00 O ATOM 1652 CB ASP A 107 14.227 -0.451 13.452 1.00 0.00 C ATOM 1653 CG ASP A 107 15.445 -1.142 14.085 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.374 -1.527 15.273 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.475 -1.303 13.394 1.00 0.00 O ATOM 0 H ASP A 107 14.259 -1.365 10.950 1.00 0.00 H new ATOM 0 HA ASP A 107 12.975 -2.223 13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.580 0.258 12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.716 0.126 14.222 1.00 0.00 H new ATOM 1660 N ILE A 108 11.755 0.107 11.384 1.00 0.00 N ATOM 1661 CA ILE A 108 10.668 1.086 11.136 1.00 0.00 C ATOM 1662 C ILE A 108 9.403 0.320 10.639 1.00 0.00 C ATOM 1663 O ILE A 108 9.364 -0.175 9.509 1.00 0.00 O ATOM 1664 CB ILE A 108 11.136 2.223 10.154 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.411 3.023 10.587 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.008 3.257 9.919 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.763 2.390 10.219 1.00 0.00 C ATOM 0 H ILE A 108 12.428 0.050 10.619 1.00 0.00 H new ATOM 0 HA ILE A 108 10.406 1.597 12.062 1.00 0.00 H new ATOM 0 HB ILE A 108 11.392 1.672 9.249 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.363 4.015 10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.379 3.161 11.668 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.360 4.031 9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.141 2.758 9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.727 3.712 10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.572 3.031 10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.847 1.411 10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.830 2.278 9.137 1.00 0.00 H new ATOM 1679 N ILE A 109 8.369 0.278 11.495 1.00 0.00 N ATOM 1680 CA ILE A 109 7.061 -0.353 11.184 1.00 0.00 C ATOM 1681 C ILE A 109 6.149 0.703 10.487 1.00 0.00 C ATOM 1682 O ILE A 109 5.873 1.773 11.040 1.00 0.00 O ATOM 1683 CB ILE A 109 6.474 -1.021 12.475 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.420 -2.110 12.153 1.00 0.00 C ATOM 1685 CG2 ILE A 109 5.926 -0.028 13.532 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.096 -3.000 13.361 1.00 0.00 C ATOM 0 H ILE A 109 8.410 0.682 12.431 1.00 0.00 H new ATOM 0 HA ILE A 109 7.156 -1.173 10.473 1.00 0.00 H new ATOM 0 HB ILE A 109 7.340 -1.499 12.934 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.505 -1.632 11.804 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.785 -2.733 11.336 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.542 -0.583 14.388 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.728 0.634 13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.123 0.564 13.093 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.352 -3.744 13.076 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.003 -3.504 13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.703 -2.385 14.171 1.00 0.00 H new ATOM 1698 N THR A 110 5.717 0.389 9.258 1.00 0.00 N ATOM 1699 CA THR A 110 4.963 1.334 8.394 1.00 0.00 C ATOM 1700 C THR A 110 3.490 0.835 8.357 1.00 0.00 C ATOM 1701 O THR A 110 3.168 -0.109 7.631 1.00 0.00 O ATOM 1702 CB THR A 110 5.656 1.408 6.997 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.027 1.773 7.140 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.024 2.431 6.042 1.00 0.00 C ATOM 0 H THR A 110 5.875 -0.522 8.827 1.00 0.00 H new ATOM 0 HA THR A 110 4.958 2.356 8.773 1.00 0.00 H new ATOM 0 HB THR A 110 5.535 0.412 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.449 1.814 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.561 2.423 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.979 2.171 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.083 3.426 6.484 1.00 0.00 H new ATOM 1712 N ASN A 111 2.620 1.480 9.155 1.00 0.00 N ATOM 1713 CA ASN A 111 1.179 1.125 9.275 1.00 0.00 C ATOM 1714 C ASN A 111 0.370 2.056 8.334 1.00 0.00 C ATOM 1715 O ASN A 111 0.162 3.235 8.630 1.00 0.00 O ATOM 1716 CB ASN A 111 0.799 1.179 10.787 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.698 1.270 11.147 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.262 2.362 11.218 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.369 0.157 11.384 1.00 0.00 N ATOM 0 H ASN A 111 2.891 2.269 9.742 1.00 0.00 H new ATOM 0 HA ASN A 111 0.944 0.112 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.206 0.289 11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.303 2.038 11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.359 0.200 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.897 -0.745 11.324 1.00 0.00 H new ATOM 1726 N THR A 112 -0.072 1.488 7.202 1.00 0.00 N ATOM 1727 CA THR A 112 -0.662 2.257 6.079 1.00 0.00 C ATOM 1728 C THR A 112 -2.196 2.002 6.079 1.00 0.00 C ATOM 1729 O THR A 112 -2.667 1.014 5.509 1.00 0.00 O ATOM 1730 CB THR A 112 0.058 1.838 4.760 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.472 1.990 4.882 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.366 2.671 3.546 1.00 0.00 C ATOM 0 H THR A 112 -0.034 0.483 7.032 1.00 0.00 H new ATOM 0 HA THR A 112 -0.518 3.333 6.179 1.00 0.00 H new ATOM 0 HB THR A 112 -0.228 0.798 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.903 1.720 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.172 2.327 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.438 2.558 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.135 3.721 3.726 1.00 0.00 H new ATOM 1740 N MET A 113 -2.957 2.914 6.717 1.00 0.00 N ATOM 1741 CA MET A 113 -4.442 2.850 6.776 1.00 0.00 C ATOM 1742 C MET A 113 -5.040 3.687 5.616 1.00 0.00 C ATOM 1743 O MET A 113 -5.163 4.913 5.703 1.00 0.00 O ATOM 1744 CB MET A 113 -4.960 3.330 8.161 1.00 0.00 C ATOM 1745 CG MET A 113 -4.990 2.232 9.224 1.00 0.00 C ATOM 1746 SD MET A 113 -5.812 2.859 10.703 1.00 0.00 S ATOM 1747 CE MET A 113 -4.467 2.759 11.891 1.00 0.00 C ATOM 0 H MET A 113 -2.565 3.718 7.208 1.00 0.00 H new ATOM 0 HA MET A 113 -4.766 1.816 6.657 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.327 4.145 8.512 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.965 3.735 8.042 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.517 1.356 8.844 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.975 1.914 9.464 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.813 3.112 12.862 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.135 1.725 11.978 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.637 3.379 11.554 1.00 0.00 H new ATOM 1757 N THR A 114 -5.419 2.988 4.532 1.00 0.00 N ATOM 1758 CA THR A 114 -5.987 3.620 3.316 1.00 0.00 C ATOM 1759 C THR A 114 -7.536 3.591 3.441 1.00 0.00 C ATOM 1760 O THR A 114 -8.177 2.549 3.267 1.00 0.00 O ATOM 1761 CB THR A 114 -5.460 2.900 2.043 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.034 2.930 2.013 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.955 3.513 0.720 1.00 0.00 C ATOM 0 H THR A 114 -5.343 1.973 4.468 1.00 0.00 H new ATOM 0 HA THR A 114 -5.672 4.659 3.223 1.00 0.00 H new ATOM 0 HB THR A 114 -5.850 1.885 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.714 2.472 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.541 2.952 -0.118 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.044 3.470 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.631 4.552 0.657 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.108 4.777 3.692 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.577 5.012 3.639 1.00 0.00 C ATOM 1773 C LEU A 115 -10.131 4.967 2.179 1.00 0.00 C ATOM 1774 O LEU A 115 -11.017 4.159 1.891 1.00 0.00 O ATOM 1775 CB LEU A 115 -9.880 6.331 4.413 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.357 6.806 4.511 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.290 5.793 5.204 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.435 8.165 5.234 1.00 0.00 C ATOM 0 H LEU A 115 -7.573 5.609 3.939 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.114 4.203 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.500 6.215 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.304 7.130 3.946 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.710 6.903 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.303 6.194 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.287 4.856 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.940 5.612 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.475 8.485 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.026 8.066 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.859 8.906 4.679 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.591 5.805 1.282 1.00 0.00 N ATOM 1791 CA GLY A 116 -9.882 5.742 -0.163 1.00 0.00 C ATOM 1792 C GLY A 116 -8.779 6.510 -0.906 1.00 0.00 C ATOM 1793 O GLY A 116 -7.772 5.923 -1.308 1.00 0.00 O ATOM 0 H GLY A 116 -8.939 6.547 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.917 4.706 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.858 6.179 -0.374 1.00 0.00 H new ATOM 1797 N ASP A 117 -8.962 7.837 -1.014 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.862 8.776 -1.379 1.00 0.00 C ATOM 1799 C ASP A 117 -6.837 9.065 -0.225 1.00 0.00 C ATOM 1800 O ASP A 117 -5.662 9.301 -0.522 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.511 10.079 -1.925 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.543 11.049 -2.619 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.199 10.821 -3.800 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.120 12.040 -1.982 1.00 0.00 O ATOM 0 H ASP A 117 -9.860 8.294 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.251 8.298 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.296 9.807 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.992 10.601 -1.098 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.268 9.077 1.056 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.427 9.497 2.210 1.00 0.00 C ATOM 1811 C ILE A 118 -5.608 8.257 2.684 1.00 0.00 C ATOM 1812 O ILE A 118 -6.177 7.235 3.082 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.327 10.133 3.331 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.057 11.435 2.869 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.526 10.436 4.623 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.319 11.783 3.673 1.00 0.00 C ATOM 0 H ILE A 118 -8.211 8.796 1.324 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.718 10.276 1.930 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.082 9.376 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.359 12.270 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.329 11.330 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.190 10.874 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.102 9.511 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.722 11.136 4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.758 12.701 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.040 10.970 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.055 11.925 4.721 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.272 8.400 2.656 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.323 7.323 3.049 1.00 0.00 C ATOM 1830 C VAL A 119 -2.669 7.784 4.387 1.00 0.00 C ATOM 1831 O VAL A 119 -1.750 8.610 4.392 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.298 7.033 1.895 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.263 5.953 2.274 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.968 6.586 0.572 1.00 0.00 C ATOM 0 H VAL A 119 -3.812 9.261 2.362 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.821 6.367 3.210 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.803 7.992 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.581 5.794 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.698 6.281 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.778 5.020 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.201 6.403 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.535 5.671 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.640 7.369 0.222 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.146 7.213 5.510 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.597 7.486 6.864 1.00 0.00 C ATOM 1846 C PHE A 120 -1.397 6.541 7.160 1.00 0.00 C ATOM 1847 O PHE A 120 -1.574 5.424 7.653 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.756 7.389 7.893 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.444 7.567 9.396 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.527 8.522 9.857 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -4.141 6.788 10.328 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.324 8.700 11.221 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.939 6.972 11.692 1.00 0.00 C ATOM 1854 CZ PHE A 120 -3.036 7.932 12.137 1.00 0.00 C ATOM 0 H PHE A 120 -3.921 6.550 5.510 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.190 8.495 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.500 8.138 7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.225 6.413 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.975 9.123 9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.840 6.039 9.985 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.613 9.435 11.570 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.483 6.370 12.405 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.887 8.082 13.196 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.180 7.027 6.859 1.00 0.00 N ATOM 1865 CA LYS A 121 1.065 6.224 6.956 1.00 0.00 C ATOM 1866 C LYS A 121 1.816 6.613 8.260 1.00 0.00 C ATOM 1867 O LYS A 121 2.439 7.677 8.343 1.00 0.00 O ATOM 1868 CB LYS A 121 1.879 6.435 5.651 1.00 0.00 C ATOM 1869 CG LYS A 121 3.043 5.439 5.470 1.00 0.00 C ATOM 1870 CD LYS A 121 3.807 5.567 4.137 1.00 0.00 C ATOM 1871 CE LYS A 121 3.043 5.030 2.909 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.874 5.115 1.696 1.00 0.00 N ATOM 0 H LYS A 121 -0.025 7.984 6.542 1.00 0.00 H new ATOM 0 HA LYS A 121 0.870 5.154 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.206 6.351 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.278 7.449 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.748 5.574 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.650 4.425 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.047 6.617 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.754 5.033 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.750 3.995 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.126 5.602 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.340 4.748 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.133 6.107 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.737 4.550 1.826 1.00 0.00 H new ATOM 1886 N ARG A 122 1.738 5.728 9.271 1.00 0.00 N ATOM 1887 CA ARG A 122 2.360 5.940 10.605 1.00 0.00 C ATOM 1888 C ARG A 122 3.762 5.273 10.590 1.00 0.00 C ATOM 1889 O ARG A 122 3.887 4.044 10.616 1.00 0.00 O ATOM 1890 CB ARG A 122 1.487 5.339 11.739 1.00 0.00 C ATOM 1891 CG ARG A 122 0.066 5.925 11.890 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.700 5.405 13.125 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.327 6.135 14.366 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.160 6.366 15.402 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -2.422 5.947 15.451 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -0.698 7.052 16.431 1.00 0.00 N ATOM 0 H ARG A 122 1.242 4.840 9.192 1.00 0.00 H new ATOM 0 HA ARG A 122 2.447 7.009 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.399 4.266 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.014 5.471 12.684 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.137 7.011 11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.509 5.692 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.772 5.506 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.497 4.342 13.256 1.00 0.00 H new ATOM 0 HE ARG A 122 0.628 6.486 14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.814 5.416 14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.998 6.157 16.266 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.264 7.391 16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.303 7.243 17.230 1.00 0.00 H new ATOM 1910 N ILE A 123 4.808 6.110 10.521 1.00 0.00 N ATOM 1911 CA ILE A 123 6.210 5.654 10.292 1.00 0.00 C ATOM 1912 C ILE A 123 6.871 5.627 11.702 1.00 0.00 C ATOM 1913 O ILE A 123 7.195 6.677 12.260 1.00 0.00 O ATOM 1914 CB ILE A 123 6.895 6.592 9.232 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.204 6.518 7.830 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.408 6.315 9.065 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.540 7.643 6.839 1.00 0.00 C ATOM 0 H ILE A 123 4.719 7.121 10.621 1.00 0.00 H new ATOM 0 HA ILE A 123 6.300 4.658 9.859 1.00 0.00 H new ATOM 0 HB ILE A 123 6.772 7.597 9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.469 5.567 7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.125 6.508 7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.822 6.994 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.914 6.470 10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.556 5.285 8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.000 7.479 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.246 8.603 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.612 7.646 6.642 1.00 0.00 H new ATOM 1929 N SER A 124 7.012 4.418 12.273 1.00 0.00 N ATOM 1930 CA SER A 124 7.268 4.227 13.728 1.00 0.00 C ATOM 1931 C SER A 124 8.565 3.403 13.951 1.00 0.00 C ATOM 1932 O SER A 124 8.597 2.196 13.710 1.00 0.00 O ATOM 1933 CB SER A 124 6.028 3.539 14.356 1.00 0.00 C ATOM 1934 OG SER A 124 4.943 4.449 14.486 1.00 0.00 O ATOM 0 H SER A 124 6.954 3.544 11.750 1.00 0.00 H new ATOM 0 HA SER A 124 7.423 5.190 14.215 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.725 2.695 13.737 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.289 3.138 15.336 1.00 0.00 H new ATOM 0 HG SER A 124 4.175 3.988 14.883 1.00 0.00 H new ATOM 1940 N LYS A 125 9.634 4.057 14.443 1.00 0.00 N ATOM 1941 CA LYS A 125 10.949 3.402 14.691 1.00 0.00 C ATOM 1942 C LYS A 125 10.933 2.540 15.990 1.00 0.00 C ATOM 1943 O LYS A 125 10.431 2.981 17.029 1.00 0.00 O ATOM 1944 CB LYS A 125 12.034 4.514 14.735 1.00 0.00 C ATOM 1945 CG LYS A 125 13.496 4.005 14.762 1.00 0.00 C ATOM 1946 CD LYS A 125 14.569 5.111 14.739 1.00 0.00 C ATOM 1947 CE LYS A 125 14.670 5.922 16.046 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.702 6.969 15.960 1.00 0.00 N ATOM 0 H LYS A 125 9.620 5.049 14.681 1.00 0.00 H new ATOM 0 HA LYS A 125 11.175 2.704 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.906 5.159 13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.864 5.131 15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.638 3.400 15.657 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.653 3.349 13.906 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.538 4.657 14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.353 5.794 13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.705 6.379 16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.901 5.251 16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.740 7.493 16.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.627 6.531 15.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.469 7.624 15.186 1.00 0.00 H new ATOM 1962 N ARG A 126 11.534 1.333 15.924 1.00 0.00 N ATOM 1963 CA ARG A 126 11.682 0.434 17.102 1.00 0.00 C ATOM 1964 C ARG A 126 12.801 0.969 18.040 1.00 0.00 C ATOM 1965 O ARG A 126 13.972 1.039 17.648 1.00 0.00 O ATOM 1966 CB ARG A 126 11.934 -1.030 16.638 1.00 0.00 C ATOM 1967 CG ARG A 126 11.672 -2.144 17.681 1.00 0.00 C ATOM 1968 CD ARG A 126 12.832 -2.416 18.663 1.00 0.00 C ATOM 1969 NE ARG A 126 12.478 -3.428 19.692 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.686 -4.755 19.578 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.205 -5.342 18.501 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.351 -5.522 20.598 1.00 0.00 N ATOM 0 H ARG A 126 11.929 0.952 15.064 1.00 0.00 H new ATOM 0 HA ARG A 126 10.756 0.426 17.677 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.307 -1.224 15.768 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.970 -1.109 16.308 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.785 -1.878 18.257 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.443 -3.068 17.151 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.704 -2.758 18.105 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.114 -1.485 19.155 1.00 0.00 H new ATOM 0 HE ARG A 126 12.044 -3.092 20.552 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.473 -4.780 17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.334 -6.354 18.484 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.949 -5.106 21.438 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.494 -6.531 20.546 1.00 0.00 H new ATOM 1986 N ILE A 127 12.411 1.354 19.269 1.00 0.00 N ATOM 1987 CA ILE A 127 13.314 2.038 20.235 1.00 0.00 C ATOM 1988 C ILE A 127 13.915 0.948 21.149 1.00 0.00 C ATOM 1989 O ILE A 127 13.251 0.379 22.017 1.00 0.00 O ATOM 1990 CB ILE A 127 12.587 3.197 21.009 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.788 4.211 20.132 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.535 3.973 21.958 1.00 0.00 C ATOM 1993 CD1 ILE A 127 12.549 4.934 19.007 1.00 0.00 C ATOM 0 H ILE A 127 11.468 1.204 19.627 1.00 0.00 H new ATOM 0 HA ILE A 127 14.125 2.549 19.716 1.00 0.00 H new ATOM 0 HB ILE A 127 11.845 2.652 21.592 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.950 3.679 19.682 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.367 4.968 20.793 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.978 4.761 22.465 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.950 3.288 22.698 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.345 4.417 21.380 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.870 5.606 18.482 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.370 5.509 19.435 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.947 4.200 18.306 1.00 0.00 H new