USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 863 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 96 HIS : no HD1:sc= -4.75! C(o=-5.5!,f=-6.1!) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.723 K(o=-5.5,f=-4.8) USER MOD Set 2.1: A 68 GLN : amide:sc= -1.01 X(o=-1,f=-0.96) USER MOD Set 2.2: A 76 SER OG : rot -170:sc= 0.0163 USER MOD Set 3.1: A 41 HIS : no HE2:sc= -3.99! C(o=-8.9!,f=-21!) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 160:sc= -4.93! (180deg=-0.75) USER MOD Set 4.1: A 26 ASN : amide:sc= -0.745 K(o=-8,f=-7.2) USER MOD Set 4.2: A 27 GLN : amide:sc= -7.22! C(o=-8!,f=-15!) USER MOD Single : A 1 MET CE :methyl -97:sc=-0.000286 (180deg=-0.0554) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0441 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.822 K(o=-0.82,f=-0.04) USER MOD Single : A 7 GLN : amide:sc= -0.138 K(o=-0.14,f=-3.8!) USER MOD Single : A 17 HIS : no HE2:sc= -1.41! C(o=-1.4!,f=-4.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -61:sc= -0.028! USER MOD Single : A 21 CYS SG : rot 180:sc= 0.153 USER MOD Single : A 22 GLN : amide:sc= -4.22 K(o=-4.2,f=-0.39) USER MOD Single : A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00213) USER MOD Single : A 32 THR OG1 : rot -72:sc= -4.56! USER MOD Single : A 35 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 47 SER OG : rot 16:sc= -2.24! USER MOD Single : A 48 ASN : amide:sc= -7.17! C(o=-7.2!,f=-7.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2 K(o=-2,f=-0.43) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 31:sc= 0.736 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.396! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= -0.13 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -70:sc= 0.488 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.894 -8.129 -2.428 1.00 0.00 N ATOM 2 CA MET A 1 -28.330 -7.101 -3.346 1.00 0.00 C ATOM 3 C MET A 1 -27.115 -7.678 -4.066 1.00 0.00 C ATOM 4 O MET A 1 -26.381 -8.494 -3.508 1.00 0.00 O ATOM 5 CB MET A 1 -27.922 -5.867 -2.537 1.00 0.00 C ATOM 6 CG MET A 1 -27.523 -4.737 -3.489 1.00 0.00 C ATOM 7 SD MET A 1 -28.665 -3.346 -3.291 1.00 0.00 S ATOM 8 CE MET A 1 -28.044 -2.771 -1.691 1.00 0.00 C ATOM 0 H1 MET A 1 -29.776 -8.507 -2.830 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.209 -8.902 -2.309 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.092 -7.697 -1.503 1.00 0.00 H new ATOM 0 HA MET A 1 -29.080 -6.813 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.748 -5.547 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.089 -6.111 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.503 -4.416 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.541 -5.092 -4.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.666 -3.175 -0.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.017 -3.109 -1.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.075 -1.682 -1.659 1.00 0.00 H new ATOM 18 N THR A 2 -26.911 -7.252 -5.308 1.00 0.00 N ATOM 19 CA THR A 2 -25.784 -7.736 -6.098 1.00 0.00 C ATOM 20 C THR A 2 -24.472 -7.170 -5.567 1.00 0.00 C ATOM 21 O THR A 2 -23.936 -6.210 -6.123 1.00 0.00 O ATOM 22 CB THR A 2 -25.957 -7.322 -7.560 1.00 0.00 C ATOM 23 OG1 THR A 2 -24.932 -7.921 -8.344 1.00 0.00 O ATOM 24 CG2 THR A 2 -25.865 -5.798 -7.672 1.00 0.00 C ATOM 0 H THR A 2 -27.507 -6.577 -5.787 1.00 0.00 H new ATOM 0 HA THR A 2 -25.756 -8.823 -6.024 1.00 0.00 H new ATOM 0 HB THR A 2 -26.931 -7.653 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.042 -7.658 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 2 -25.988 -5.502 -8.714 1.00 0.00 H new ATOM 0 HG22 THR A 2 -26.650 -5.341 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 2 -24.891 -5.465 -7.313 1.00 0.00 H new ATOM 32 N ALA A 3 -23.958 -7.763 -4.493 1.00 0.00 N ATOM 33 CA ALA A 3 -22.708 -7.294 -3.909 1.00 0.00 C ATOM 34 C ALA A 3 -22.548 -5.801 -4.153 1.00 0.00 C ATOM 35 O ALA A 3 -23.064 -4.978 -3.398 1.00 0.00 O ATOM 36 CB ALA A 3 -21.527 -8.052 -4.520 1.00 0.00 C ATOM 0 H ALA A 3 -24.382 -8.559 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.729 -7.478 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.597 -7.695 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -21.637 -9.118 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -21.504 -7.884 -5.597 1.00 0.00 H new ATOM 42 N GLU A 4 -21.844 -5.463 -5.221 1.00 0.00 N ATOM 43 CA GLU A 4 -21.635 -4.063 -5.573 1.00 0.00 C ATOM 44 C GLU A 4 -22.565 -3.663 -6.713 1.00 0.00 C ATOM 45 O GLU A 4 -23.738 -4.036 -6.727 1.00 0.00 O ATOM 46 CB GLU A 4 -20.182 -3.827 -5.986 1.00 0.00 C ATOM 47 CG GLU A 4 -19.813 -4.774 -7.130 1.00 0.00 C ATOM 48 CD GLU A 4 -18.993 -5.943 -6.593 1.00 0.00 C ATOM 49 OE1 GLU A 4 -19.024 -6.161 -5.394 1.00 0.00 O ATOM 50 OE2 GLU A 4 -18.345 -6.601 -7.390 1.00 0.00 O ATOM 0 H GLU A 4 -21.409 -6.132 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.857 -3.451 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.046 -2.792 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -19.520 -3.992 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -20.717 -5.144 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.243 -4.237 -7.889 1.00 0.00 H new ATOM 57 N LEU A 5 -22.037 -2.900 -7.666 1.00 0.00 N ATOM 58 CA LEU A 5 -22.836 -2.453 -8.800 1.00 0.00 C ATOM 59 C LEU A 5 -21.992 -1.629 -9.768 1.00 0.00 C ATOM 60 O LEU A 5 -20.766 -1.599 -9.669 1.00 0.00 O ATOM 61 CB LEU A 5 -24.016 -1.613 -8.307 1.00 0.00 C ATOM 62 CG LEU A 5 -23.512 -0.268 -7.779 1.00 0.00 C ATOM 63 CD1 LEU A 5 -24.605 0.379 -6.930 1.00 0.00 C ATOM 64 CD2 LEU A 5 -22.263 -0.479 -6.917 1.00 0.00 C ATOM 0 H LEU A 5 -21.068 -2.581 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 5 -23.208 -3.333 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -24.724 -1.452 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.550 -2.146 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 5 -23.262 0.378 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -24.252 1.338 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -25.495 0.536 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -24.850 -0.274 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.911 0.483 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -22.507 -1.126 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -21.481 -0.944 -7.517 1.00 0.00 H new ATOM 76 N GLN A 6 -22.659 -0.963 -10.709 1.00 0.00 N ATOM 77 CA GLN A 6 -21.959 -0.145 -11.695 1.00 0.00 C ATOM 78 C GLN A 6 -22.910 0.861 -12.339 1.00 0.00 C ATOM 79 O GLN A 6 -22.743 1.229 -13.501 1.00 0.00 O ATOM 80 CB GLN A 6 -21.358 -1.044 -12.778 1.00 0.00 C ATOM 81 CG GLN A 6 -20.187 -0.325 -13.451 1.00 0.00 C ATOM 82 CD GLN A 6 -20.030 -0.820 -14.885 1.00 0.00 C ATOM 83 OE1 GLN A 6 -19.447 -0.132 -15.722 1.00 0.00 O ATOM 84 NE2 GLN A 6 -20.518 -1.984 -15.220 1.00 0.00 N ATOM 0 H GLN A 6 -23.674 -0.974 -10.809 1.00 0.00 H new ATOM 0 HA GLN A 6 -21.165 0.402 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.018 -1.982 -12.339 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -22.117 -1.296 -13.518 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -20.358 0.751 -13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.269 -0.505 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.001 -2.554 -14.525 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.416 -2.324 -16.176 1.00 0.00 H new ATOM 93 N GLN A 7 -23.907 1.304 -11.578 1.00 0.00 N ATOM 94 CA GLN A 7 -24.874 2.268 -12.093 1.00 0.00 C ATOM 95 C GLN A 7 -24.169 3.369 -12.876 1.00 0.00 C ATOM 96 O GLN A 7 -24.807 4.156 -13.576 1.00 0.00 O ATOM 97 CB GLN A 7 -25.667 2.887 -10.939 1.00 0.00 C ATOM 98 CG GLN A 7 -24.703 3.364 -9.853 1.00 0.00 C ATOM 99 CD GLN A 7 -24.603 4.886 -9.877 1.00 0.00 C ATOM 100 OE1 GLN A 7 -23.938 5.452 -10.746 1.00 0.00 O ATOM 101 NE2 GLN A 7 -25.227 5.585 -8.970 1.00 0.00 N ATOM 0 H GLN A 7 -24.066 1.015 -10.613 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.558 1.743 -12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -26.264 3.723 -11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -26.361 2.154 -10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -25.049 3.029 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.718 2.924 -10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -25.777 5.114 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -25.165 6.603 -8.979 1.00 0.00 H new ATOM 110 N ASP A 8 -22.850 3.413 -12.755 1.00 0.00 N ATOM 111 CA ASP A 8 -22.058 4.416 -13.457 1.00 0.00 C ATOM 112 C ASP A 8 -22.136 4.193 -14.958 1.00 0.00 C ATOM 113 O ASP A 8 -21.844 5.086 -15.753 1.00 0.00 O ATOM 114 CB ASP A 8 -20.601 4.337 -13.005 1.00 0.00 C ATOM 115 CG ASP A 8 -20.042 5.738 -12.788 1.00 0.00 C ATOM 116 OD1 ASP A 8 -20.279 6.291 -11.726 1.00 0.00 O ATOM 117 OD2 ASP A 8 -19.384 6.238 -13.686 1.00 0.00 O ATOM 0 H ASP A 8 -22.306 2.769 -12.180 1.00 0.00 H new ATOM 0 HA ASP A 8 -22.458 5.403 -13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.529 3.762 -12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -20.008 3.813 -13.754 1.00 0.00 H new ATOM 122 N ASP A 9 -22.532 2.987 -15.330 1.00 0.00 N ATOM 123 CA ASP A 9 -22.653 2.624 -16.736 1.00 0.00 C ATOM 124 C ASP A 9 -23.478 3.652 -17.496 1.00 0.00 C ATOM 125 O ASP A 9 -22.977 4.340 -18.384 1.00 0.00 O ATOM 126 CB ASP A 9 -23.311 1.249 -16.859 1.00 0.00 C ATOM 127 CG ASP A 9 -24.672 1.260 -16.172 1.00 0.00 C ATOM 128 OD1 ASP A 9 -24.712 1.025 -14.975 1.00 0.00 O ATOM 129 OD2 ASP A 9 -25.654 1.506 -16.851 1.00 0.00 O ATOM 0 H ASP A 9 -22.776 2.241 -14.679 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.653 2.595 -17.169 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.427 0.985 -17.910 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.673 0.489 -16.408 1.00 0.00 H new ATOM 134 N ALA A 10 -24.743 3.735 -17.138 1.00 0.00 N ATOM 135 CA ALA A 10 -25.660 4.671 -17.784 1.00 0.00 C ATOM 136 C ALA A 10 -25.658 6.019 -17.068 1.00 0.00 C ATOM 137 O ALA A 10 -24.825 6.272 -16.197 1.00 0.00 O ATOM 138 CB ALA A 10 -27.077 4.097 -17.781 1.00 0.00 C ATOM 0 H ALA A 10 -25.166 3.168 -16.403 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.325 4.820 -18.810 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.755 4.800 -18.264 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.088 3.152 -18.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.400 3.930 -16.753 1.00 0.00 H new ATOM 144 N ALA A 11 -26.599 6.882 -17.445 1.00 0.00 N ATOM 145 CA ALA A 11 -26.705 8.204 -16.836 1.00 0.00 C ATOM 146 C ALA A 11 -28.147 8.702 -16.886 1.00 0.00 C ATOM 147 O ALA A 11 -28.715 9.096 -15.868 1.00 0.00 O ATOM 148 CB ALA A 11 -25.797 9.194 -17.568 1.00 0.00 C ATOM 0 H ALA A 11 -27.295 6.690 -18.165 1.00 0.00 H new ATOM 0 HA ALA A 11 -26.393 8.128 -15.794 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -25.884 10.177 -17.106 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -24.763 8.854 -17.506 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -26.096 9.257 -18.614 1.00 0.00 H new ATOM 154 N GLY A 12 -28.734 8.680 -18.079 1.00 0.00 N ATOM 155 CA GLY A 12 -30.111 9.128 -18.254 1.00 0.00 C ATOM 156 C GLY A 12 -30.197 10.651 -18.244 1.00 0.00 C ATOM 157 O GLY A 12 -30.081 11.282 -17.194 1.00 0.00 O ATOM 0 H GLY A 12 -28.280 8.359 -18.934 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -30.505 8.744 -19.195 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -30.734 8.720 -17.458 1.00 0.00 H new ATOM 161 N ALA A 13 -30.406 11.232 -19.422 1.00 0.00 N ATOM 162 CA ALA A 13 -30.511 12.682 -19.543 1.00 0.00 C ATOM 163 C ALA A 13 -29.748 13.378 -18.422 1.00 0.00 C ATOM 164 O ALA A 13 -28.518 13.362 -18.392 1.00 0.00 O ATOM 165 CB ALA A 13 -31.982 13.102 -19.495 1.00 0.00 C ATOM 0 H ALA A 13 -30.505 10.724 -20.301 1.00 0.00 H new ATOM 0 HA ALA A 13 -30.075 12.977 -20.497 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -32.054 14.186 -19.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -32.522 12.632 -20.317 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -32.419 12.787 -18.548 1.00 0.00 H new ATOM 171 N ALA A 14 -30.494 13.989 -17.507 1.00 0.00 N ATOM 172 CA ALA A 14 -29.893 14.696 -16.379 1.00 0.00 C ATOM 173 C ALA A 14 -28.492 14.166 -16.090 1.00 0.00 C ATOM 174 O ALA A 14 -28.281 12.956 -16.002 1.00 0.00 O ATOM 175 CB ALA A 14 -30.767 14.527 -15.134 1.00 0.00 C ATOM 0 H ALA A 14 -31.514 14.009 -17.523 1.00 0.00 H new ATOM 0 HA ALA A 14 -29.821 15.752 -16.638 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -30.313 15.057 -14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -31.759 14.936 -15.327 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -30.852 13.468 -14.890 1.00 0.00 H new ATOM 181 N ASP A 15 -27.539 15.080 -15.942 1.00 0.00 N ATOM 182 CA ASP A 15 -26.160 14.691 -15.663 1.00 0.00 C ATOM 183 C ASP A 15 -26.065 13.995 -14.309 1.00 0.00 C ATOM 184 O ASP A 15 -27.073 13.797 -13.630 1.00 0.00 O ATOM 185 CB ASP A 15 -25.255 15.925 -15.669 1.00 0.00 C ATOM 186 CG ASP A 15 -25.982 17.104 -16.308 1.00 0.00 C ATOM 187 OD1 ASP A 15 -26.732 17.761 -15.605 1.00 0.00 O ATOM 188 OD2 ASP A 15 -25.778 17.331 -17.488 1.00 0.00 O ATOM 0 H ASP A 15 -27.693 16.086 -16.010 1.00 0.00 H new ATOM 0 HA ASP A 15 -25.834 13.999 -16.440 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -24.963 16.177 -14.649 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -24.339 15.711 -16.219 1.00 0.00 H new ATOM 193 N GLY A 16 -24.848 13.623 -13.925 1.00 0.00 N ATOM 194 CA GLY A 16 -24.633 12.947 -12.653 1.00 0.00 C ATOM 195 C GLY A 16 -25.254 13.733 -11.501 1.00 0.00 C ATOM 196 O GLY A 16 -25.729 14.853 -11.685 1.00 0.00 O ATOM 0 H GLY A 16 -24.002 13.777 -14.473 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -25.067 11.948 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -23.564 12.824 -12.479 1.00 0.00 H new ATOM 200 N HIS A 17 -25.243 13.135 -10.314 1.00 0.00 N ATOM 201 CA HIS A 17 -25.806 13.785 -9.135 1.00 0.00 C ATOM 202 C HIS A 17 -25.308 13.104 -7.865 1.00 0.00 C ATOM 203 O HIS A 17 -26.101 12.674 -7.027 1.00 0.00 O ATOM 204 CB HIS A 17 -27.334 13.728 -9.183 1.00 0.00 C ATOM 205 CG HIS A 17 -27.902 14.729 -8.214 1.00 0.00 C ATOM 206 ND1 HIS A 17 -27.346 14.943 -6.963 1.00 0.00 N ATOM 207 CD2 HIS A 17 -28.976 15.580 -8.298 1.00 0.00 C ATOM 208 CE1 HIS A 17 -28.080 15.890 -6.350 1.00 0.00 C ATOM 209 NE2 HIS A 17 -29.085 16.313 -7.120 1.00 0.00 N ATOM 0 H HIS A 17 -24.853 12.208 -10.143 1.00 0.00 H new ATOM 0 HA HIS A 17 -25.485 14.827 -9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -27.685 13.943 -10.192 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -27.680 12.725 -8.932 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -26.529 14.469 -6.577 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -29.636 15.667 -9.149 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -27.880 16.262 -5.356 1.00 0.00 H new ATOM 217 N GLY A 18 -23.989 13.011 -7.731 1.00 0.00 N ATOM 218 CA GLY A 18 -23.391 12.380 -6.560 1.00 0.00 C ATOM 219 C GLY A 18 -21.990 12.928 -6.305 1.00 0.00 C ATOM 220 O GLY A 18 -21.025 12.512 -6.945 1.00 0.00 O ATOM 0 H GLY A 18 -23.318 13.362 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -24.019 12.555 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.343 11.301 -6.707 1.00 0.00 H new ATOM 224 N SER A 19 -21.887 13.864 -5.367 1.00 0.00 N ATOM 225 CA SER A 19 -20.598 14.462 -5.038 1.00 0.00 C ATOM 226 C SER A 19 -20.098 13.955 -3.688 1.00 0.00 C ATOM 227 O SER A 19 -18.892 13.909 -3.440 1.00 0.00 O ATOM 228 CB SER A 19 -20.726 15.985 -4.993 1.00 0.00 C ATOM 229 OG SER A 19 -21.592 16.353 -3.928 1.00 0.00 O ATOM 0 H SER A 19 -22.673 14.222 -4.825 1.00 0.00 H new ATOM 0 HA SER A 19 -19.882 14.178 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.745 16.440 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 19 -21.117 16.357 -5.940 1.00 0.00 H new ATOM 0 HG SER A 19 -21.674 17.329 -3.896 1.00 0.00 H new ATOM 235 N SER A 20 -21.030 13.577 -2.820 1.00 0.00 N ATOM 236 CA SER A 20 -20.671 13.079 -1.499 1.00 0.00 C ATOM 237 C SER A 20 -19.916 14.148 -0.713 1.00 0.00 C ATOM 238 O SER A 20 -19.993 15.333 -1.035 1.00 0.00 O ATOM 239 CB SER A 20 -19.800 11.828 -1.632 1.00 0.00 C ATOM 240 OG SER A 20 -18.442 12.173 -1.393 1.00 0.00 O ATOM 0 H SER A 20 -22.032 13.606 -3.006 1.00 0.00 H new ATOM 0 HA SER A 20 -21.586 12.828 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.124 11.068 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.908 11.400 -2.628 1.00 0.00 H new ATOM 0 HG SER A 20 -18.149 12.828 -2.060 1.00 0.00 H new ATOM 246 N CYS A 21 -19.188 13.723 0.314 1.00 0.00 N ATOM 247 CA CYS A 21 -18.424 14.658 1.132 1.00 0.00 C ATOM 248 C CYS A 21 -17.179 15.124 0.384 1.00 0.00 C ATOM 249 O CYS A 21 -16.258 14.344 0.147 1.00 0.00 O ATOM 250 CB CYS A 21 -18.014 13.990 2.446 1.00 0.00 C ATOM 251 SG CYS A 21 -19.182 12.666 2.840 1.00 0.00 S ATOM 0 H CYS A 21 -19.111 12.746 0.598 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.052 15.523 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.005 13.586 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.997 14.725 3.250 1.00 0.00 H new ATOM 0 HG CYS A 21 -18.833 12.097 3.955 1.00 0.00 H new ATOM 257 N GLN A 22 -17.160 16.398 0.008 1.00 0.00 N ATOM 258 CA GLN A 22 -16.023 16.952 -0.720 1.00 0.00 C ATOM 259 C GLN A 22 -14.888 17.315 0.232 1.00 0.00 C ATOM 260 O GLN A 22 -13.755 17.543 -0.197 1.00 0.00 O ATOM 261 CB GLN A 22 -16.459 18.198 -1.495 1.00 0.00 C ATOM 262 CG GLN A 22 -16.860 19.297 -0.512 1.00 0.00 C ATOM 263 CD GLN A 22 -15.768 20.357 -0.442 1.00 0.00 C ATOM 264 OE1 GLN A 22 -15.758 21.295 -1.240 1.00 0.00 O ATOM 265 NE2 GLN A 22 -14.838 20.263 0.470 1.00 0.00 N ATOM 0 H GLN A 22 -17.912 17.062 0.193 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.662 16.194 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.646 18.545 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.297 17.957 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.800 19.751 -0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -17.027 18.869 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.848 19.485 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.102 20.967 0.522 1.00 0.00 H new ATOM 274 N MET A 23 -15.195 17.373 1.523 1.00 0.00 N ATOM 275 CA MET A 23 -14.190 17.720 2.522 1.00 0.00 C ATOM 276 C MET A 23 -13.166 16.609 2.680 1.00 0.00 C ATOM 277 O MET A 23 -12.014 16.855 3.033 1.00 0.00 O ATOM 278 CB MET A 23 -14.857 17.991 3.873 1.00 0.00 C ATOM 279 CG MET A 23 -15.968 19.029 3.698 1.00 0.00 C ATOM 280 SD MET A 23 -17.505 18.394 4.411 1.00 0.00 S ATOM 281 CE MET A 23 -18.648 19.290 3.331 1.00 0.00 C ATOM 0 H MET A 23 -16.124 17.186 1.901 1.00 0.00 H new ATOM 0 HA MET A 23 -13.678 18.619 2.179 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.269 17.067 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.118 18.351 4.589 1.00 0.00 H new ATOM 0 HG2 MET A 23 -15.688 19.963 4.185 1.00 0.00 H new ATOM 0 HG3 MET A 23 -16.110 19.251 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.674 19.069 3.624 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.468 20.361 3.420 1.00 0.00 H new ATOM 0 HE3 MET A 23 -18.491 18.980 2.298 1.00 0.00 H new ATOM 291 N LEU A 24 -13.596 15.389 2.419 1.00 0.00 N ATOM 292 CA LEU A 24 -12.712 14.237 2.538 1.00 0.00 C ATOM 293 C LEU A 24 -11.682 14.234 1.422 1.00 0.00 C ATOM 294 O LEU A 24 -10.477 14.334 1.660 1.00 0.00 O ATOM 295 CB LEU A 24 -13.531 12.946 2.488 1.00 0.00 C ATOM 296 CG LEU A 24 -13.786 12.446 3.913 1.00 0.00 C ATOM 297 CD1 LEU A 24 -14.591 13.491 4.690 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.577 11.137 3.859 1.00 0.00 C ATOM 0 H LEU A 24 -14.547 15.167 2.124 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.190 14.299 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.478 13.123 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.998 12.187 1.915 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.832 12.279 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.771 13.132 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.031 14.426 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.545 13.660 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.759 10.780 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.530 11.308 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.006 10.389 3.308 1.00 0.00 H new ATOM 310 N LEU A 25 -12.174 14.124 0.207 1.00 0.00 N ATOM 311 CA LEU A 25 -11.305 14.106 -0.962 1.00 0.00 C ATOM 312 C LEU A 25 -10.467 15.379 -1.021 1.00 0.00 C ATOM 313 O LEU A 25 -9.274 15.334 -1.319 1.00 0.00 O ATOM 314 CB LEU A 25 -12.137 13.979 -2.242 1.00 0.00 C ATOM 315 CG LEU A 25 -13.238 12.931 -2.047 1.00 0.00 C ATOM 316 CD1 LEU A 25 -12.671 11.725 -1.296 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.395 13.534 -1.242 1.00 0.00 C ATOM 0 H LEU A 25 -13.169 14.045 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.641 13.246 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.580 14.942 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.496 13.694 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.605 12.614 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.455 10.981 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.854 11.289 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.299 12.045 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.174 12.784 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.030 13.858 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.804 14.390 -1.779 1.00 0.00 H new ATOM 329 N ASN A 26 -11.098 16.514 -0.735 1.00 0.00 N ATOM 330 CA ASN A 26 -10.396 17.790 -0.762 1.00 0.00 C ATOM 331 C ASN A 26 -9.282 17.817 0.274 1.00 0.00 C ATOM 332 O ASN A 26 -8.118 18.053 -0.049 1.00 0.00 O ATOM 333 CB ASN A 26 -11.374 18.934 -0.494 1.00 0.00 C ATOM 334 CG ASN A 26 -10.618 20.257 -0.440 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.985 21.154 0.319 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.578 20.430 -1.207 1.00 0.00 N ATOM 0 H ASN A 26 -12.085 16.575 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.955 17.914 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.131 18.969 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.897 18.765 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.065 21.311 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.277 19.684 -1.834 1.00 0.00 H new ATOM 343 N GLN A 27 -9.653 17.579 1.517 1.00 0.00 N ATOM 344 CA GLN A 27 -8.684 17.581 2.609 1.00 0.00 C ATOM 345 C GLN A 27 -7.481 16.712 2.257 1.00 0.00 C ATOM 346 O GLN A 27 -6.359 17.206 2.141 1.00 0.00 O ATOM 347 CB GLN A 27 -9.337 17.054 3.890 1.00 0.00 C ATOM 348 CG GLN A 27 -10.136 18.172 4.568 1.00 0.00 C ATOM 349 CD GLN A 27 -10.592 19.206 3.541 1.00 0.00 C ATOM 350 OE1 GLN A 27 -11.219 18.856 2.543 1.00 0.00 O ATOM 351 NE2 GLN A 27 -10.310 20.466 3.726 1.00 0.00 N ATOM 0 H GLN A 27 -10.613 17.382 1.801 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.347 18.605 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.994 16.217 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.572 16.678 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.003 17.750 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.523 18.654 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.790 20.756 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.610 21.161 3.043 1.00 0.00 H new ATOM 360 N LEU A 28 -7.722 15.418 2.081 1.00 0.00 N ATOM 361 CA LEU A 28 -6.655 14.490 1.739 1.00 0.00 C ATOM 362 C LEU A 28 -5.865 14.984 0.536 1.00 0.00 C ATOM 363 O LEU A 28 -4.637 15.067 0.574 1.00 0.00 O ATOM 364 CB LEU A 28 -7.272 13.141 1.441 1.00 0.00 C ATOM 365 CG LEU A 28 -7.717 12.535 2.771 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.180 12.093 2.702 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.817 11.345 3.104 1.00 0.00 C ATOM 0 H LEU A 28 -8.644 14.990 2.169 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.962 14.411 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.121 13.249 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.551 12.491 0.946 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.631 13.288 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.476 11.664 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.810 12.954 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.298 11.345 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.129 10.907 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.896 10.597 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.783 11.681 3.182 1.00 0.00 H new ATOM 379 N ARG A 29 -6.580 15.312 -0.533 1.00 0.00 N ATOM 380 CA ARG A 29 -5.941 15.801 -1.750 1.00 0.00 C ATOM 381 C ARG A 29 -5.112 17.046 -1.456 1.00 0.00 C ATOM 382 O ARG A 29 -4.192 17.380 -2.201 1.00 0.00 O ATOM 383 CB ARG A 29 -6.999 16.136 -2.802 1.00 0.00 C ATOM 384 CG ARG A 29 -6.326 16.787 -4.013 1.00 0.00 C ATOM 385 CD ARG A 29 -6.363 18.309 -3.870 1.00 0.00 C ATOM 386 NE ARG A 29 -5.155 18.899 -4.440 1.00 0.00 N ATOM 387 CZ ARG A 29 -4.863 20.184 -4.254 1.00 0.00 C ATOM 388 NH1 ARG A 29 -5.658 20.937 -3.546 1.00 0.00 N ATOM 389 NH2 ARG A 29 -3.781 20.690 -4.778 1.00 0.00 N ATOM 0 H ARG A 29 -7.597 15.249 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.285 15.017 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.523 15.230 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.745 16.810 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.294 16.445 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.835 16.486 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.244 18.707 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.447 18.581 -2.818 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.524 18.316 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.503 20.541 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.434 21.922 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.158 20.101 -5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.558 21.675 -4.635 1.00 0.00 H new ATOM 403 N GLU A 30 -5.447 17.731 -0.369 1.00 0.00 N ATOM 404 CA GLU A 30 -4.727 18.942 0.008 1.00 0.00 C ATOM 405 C GLU A 30 -3.488 18.593 0.824 1.00 0.00 C ATOM 406 O GLU A 30 -2.472 19.285 0.755 1.00 0.00 O ATOM 407 CB GLU A 30 -5.641 19.864 0.821 1.00 0.00 C ATOM 408 CG GLU A 30 -4.891 21.152 1.173 1.00 0.00 C ATOM 409 CD GLU A 30 -5.670 22.363 0.670 1.00 0.00 C ATOM 410 OE1 GLU A 30 -6.270 22.259 -0.388 1.00 0.00 O ATOM 411 OE2 GLU A 30 -5.658 23.375 1.351 1.00 0.00 O ATOM 0 H GLU A 30 -6.205 17.472 0.262 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.415 19.457 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.539 20.099 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.966 19.360 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.754 21.220 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.897 21.137 0.726 1.00 0.00 H new ATOM 418 N ILE A 31 -3.578 17.514 1.593 1.00 0.00 N ATOM 419 CA ILE A 31 -2.453 17.084 2.415 1.00 0.00 C ATOM 420 C ILE A 31 -1.421 16.348 1.580 1.00 0.00 C ATOM 421 O ILE A 31 -0.240 16.697 1.561 1.00 0.00 O ATOM 422 CB ILE A 31 -2.934 16.150 3.523 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.035 16.834 4.333 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.752 15.818 4.431 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.700 15.817 5.268 1.00 0.00 C ATOM 0 H ILE A 31 -4.409 16.926 1.665 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.000 17.976 2.847 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.335 15.234 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.615 17.655 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.778 17.265 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.081 15.151 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.971 15.329 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.358 16.737 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.484 16.310 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.135 15.011 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.954 15.407 5.949 1.00 0.00 H new ATOM 437 N THR A 32 -1.887 15.313 0.915 1.00 0.00 N ATOM 438 CA THR A 32 -1.029 14.479 0.086 1.00 0.00 C ATOM 439 C THR A 32 -0.725 15.138 -1.255 1.00 0.00 C ATOM 440 O THR A 32 0.382 15.013 -1.780 1.00 0.00 O ATOM 441 CB THR A 32 -1.732 13.151 -0.164 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.638 13.306 -1.245 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.508 12.742 1.082 1.00 0.00 C ATOM 0 H THR A 32 -2.865 15.023 0.930 1.00 0.00 H new ATOM 0 HA THR A 32 -0.085 14.331 0.611 1.00 0.00 H new ATOM 0 HB THR A 32 -0.994 12.385 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.405 13.842 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.011 11.792 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.820 12.635 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.249 13.506 1.316 1.00 0.00 H new ATOM 451 N GLY A 33 -1.713 15.825 -1.813 1.00 0.00 N ATOM 452 CA GLY A 33 -1.528 16.480 -3.105 1.00 0.00 C ATOM 453 C GLY A 33 -1.763 15.491 -4.240 1.00 0.00 C ATOM 454 O GLY A 33 -1.074 15.521 -5.260 1.00 0.00 O ATOM 0 H GLY A 33 -2.638 15.944 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.218 17.319 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.519 16.888 -3.172 1.00 0.00 H new ATOM 458 N ILE A 34 -2.730 14.602 -4.042 1.00 0.00 N ATOM 459 CA ILE A 34 -3.048 13.586 -5.037 1.00 0.00 C ATOM 460 C ILE A 34 -4.240 14.013 -5.887 1.00 0.00 C ATOM 461 O ILE A 34 -5.129 14.723 -5.419 1.00 0.00 O ATOM 462 CB ILE A 34 -3.368 12.270 -4.331 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.215 11.935 -3.369 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.577 11.164 -5.372 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.235 10.940 -3.984 1.00 0.00 C ATOM 0 H ILE A 34 -3.307 14.565 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.186 13.457 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.288 12.357 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.685 12.850 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.621 11.522 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.805 10.226 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.405 11.433 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.669 11.045 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.436 10.730 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.759 10.015 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.809 11.364 -4.894 1.00 0.00 H new ATOM 477 N GLN A 35 -4.253 13.568 -7.137 1.00 0.00 N ATOM 478 CA GLN A 35 -5.340 13.901 -8.048 1.00 0.00 C ATOM 479 C GLN A 35 -6.038 12.632 -8.518 1.00 0.00 C ATOM 480 O GLN A 35 -6.668 12.610 -9.575 1.00 0.00 O ATOM 481 CB GLN A 35 -4.799 14.672 -9.254 1.00 0.00 C ATOM 482 CG GLN A 35 -3.553 15.459 -8.839 1.00 0.00 C ATOM 483 CD GLN A 35 -2.296 14.669 -9.193 1.00 0.00 C ATOM 484 OE1 GLN A 35 -2.350 13.751 -10.011 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.163 14.973 -8.624 1.00 0.00 N ATOM 0 H GLN A 35 -3.526 12.978 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.059 14.527 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.554 13.981 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.561 15.351 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.539 16.426 -9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.578 15.658 -7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.121 15.734 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.319 14.450 -8.857 1.00 0.00 H new ATOM 494 N ASP A 36 -5.915 11.574 -7.723 1.00 0.00 N ATOM 495 CA ASP A 36 -6.530 10.302 -8.060 1.00 0.00 C ATOM 496 C ASP A 36 -7.516 9.896 -6.972 1.00 0.00 C ATOM 497 O ASP A 36 -7.283 8.943 -6.230 1.00 0.00 O ATOM 498 CB ASP A 36 -5.450 9.230 -8.212 1.00 0.00 C ATOM 499 CG ASP A 36 -5.771 8.331 -9.400 1.00 0.00 C ATOM 500 OD1 ASP A 36 -5.967 8.860 -10.482 1.00 0.00 O ATOM 501 OD2 ASP A 36 -5.816 7.127 -9.211 1.00 0.00 O ATOM 0 H ASP A 36 -5.396 11.575 -6.845 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.067 10.404 -9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.477 9.700 -8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.387 8.634 -7.301 1.00 0.00 H new ATOM 506 N PRO A 37 -8.606 10.609 -6.862 1.00 0.00 N ATOM 507 CA PRO A 37 -9.649 10.334 -5.842 1.00 0.00 C ATOM 508 C PRO A 37 -9.812 8.847 -5.580 1.00 0.00 C ATOM 509 O PRO A 37 -10.340 8.430 -4.549 1.00 0.00 O ATOM 510 CB PRO A 37 -10.898 10.904 -6.491 1.00 0.00 C ATOM 511 CG PRO A 37 -10.419 12.070 -7.296 1.00 0.00 C ATOM 512 CD PRO A 37 -8.971 11.762 -7.702 1.00 0.00 C ATOM 0 HA PRO A 37 -9.414 10.766 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.388 10.163 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.626 11.214 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.045 12.215 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.470 12.990 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.896 11.523 -8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.315 12.613 -7.519 1.00 0.00 H new ATOM 520 N SER A 38 -9.360 8.065 -6.537 1.00 0.00 N ATOM 521 CA SER A 38 -9.452 6.611 -6.451 1.00 0.00 C ATOM 522 C SER A 38 -8.427 6.044 -5.472 1.00 0.00 C ATOM 523 O SER A 38 -8.780 5.308 -4.544 1.00 0.00 O ATOM 524 CB SER A 38 -9.225 5.996 -7.831 1.00 0.00 C ATOM 525 OG SER A 38 -8.280 4.938 -7.725 1.00 0.00 O ATOM 0 H SER A 38 -8.921 8.408 -7.391 1.00 0.00 H new ATOM 0 HA SER A 38 -10.449 6.360 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.166 5.620 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.862 6.755 -8.525 1.00 0.00 H new ATOM 0 HG SER A 38 -8.134 4.540 -8.609 1.00 0.00 H new ATOM 531 N PHE A 39 -7.159 6.395 -5.660 1.00 0.00 N ATOM 532 CA PHE A 39 -6.129 5.902 -4.768 1.00 0.00 C ATOM 533 C PHE A 39 -6.318 6.570 -3.411 1.00 0.00 C ATOM 534 O PHE A 39 -5.946 6.030 -2.361 1.00 0.00 O ATOM 535 CB PHE A 39 -4.742 6.177 -5.380 1.00 0.00 C ATOM 536 CG PHE A 39 -3.865 6.901 -4.410 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.250 8.151 -3.950 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.660 6.332 -3.987 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.445 8.842 -3.059 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.842 7.031 -3.099 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.241 8.286 -2.633 1.00 0.00 C ATOM 0 H PHE A 39 -6.829 7.006 -6.407 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.203 4.823 -4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.274 5.236 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.852 6.769 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.179 8.587 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.364 5.357 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.751 9.812 -2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.905 6.604 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.614 8.827 -1.940 1.00 0.00 H new ATOM 551 N LEU A 40 -6.954 7.739 -3.444 1.00 0.00 N ATOM 552 CA LEU A 40 -7.240 8.462 -2.224 1.00 0.00 C ATOM 553 C LEU A 40 -8.256 7.662 -1.439 1.00 0.00 C ATOM 554 O LEU A 40 -8.001 7.231 -0.318 1.00 0.00 O ATOM 555 CB LEU A 40 -7.823 9.839 -2.537 1.00 0.00 C ATOM 556 CG LEU A 40 -6.700 10.816 -2.876 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.148 11.728 -4.017 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.367 11.658 -1.644 1.00 0.00 C ATOM 0 H LEU A 40 -7.275 8.196 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.320 8.599 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.519 9.767 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.390 10.206 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.814 10.261 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.347 12.426 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.383 11.125 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.034 12.284 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.565 12.356 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.251 12.215 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.047 11.005 -0.832 1.00 0.00 H new ATOM 570 N HIS A 41 -9.409 7.443 -2.067 1.00 0.00 N ATOM 571 CA HIS A 41 -10.466 6.670 -1.447 1.00 0.00 C ATOM 572 C HIS A 41 -9.926 5.320 -1.006 1.00 0.00 C ATOM 573 O HIS A 41 -10.434 4.719 -0.058 1.00 0.00 O ATOM 574 CB HIS A 41 -11.624 6.472 -2.424 1.00 0.00 C ATOM 575 CG HIS A 41 -12.920 6.529 -1.665 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.032 6.061 -0.365 1.00 0.00 N ATOM 577 CD2 HIS A 41 -14.161 7.006 -2.001 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.302 6.265 0.031 1.00 0.00 C ATOM 579 NE2 HIS A 41 -15.033 6.839 -0.928 1.00 0.00 N ATOM 0 H HIS A 41 -9.628 7.791 -3.000 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.833 7.213 -0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.604 7.244 -3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.528 5.513 -2.933 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.288 5.639 0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -14.422 7.444 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.683 5.997 1.005 1.00 0.00 H new ATOM 587 N GLU A 42 -8.876 4.852 -1.681 1.00 0.00 N ATOM 588 CA GLU A 42 -8.278 3.579 -1.313 1.00 0.00 C ATOM 589 C GLU A 42 -7.684 3.704 0.080 1.00 0.00 C ATOM 590 O GLU A 42 -7.912 2.859 0.948 1.00 0.00 O ATOM 591 CB GLU A 42 -7.189 3.184 -2.312 1.00 0.00 C ATOM 592 CG GLU A 42 -6.661 1.790 -1.964 1.00 0.00 C ATOM 593 CD GLU A 42 -5.939 1.187 -3.165 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.735 1.905 -4.130 1.00 0.00 O ATOM 595 OE2 GLU A 42 -5.600 0.016 -3.101 1.00 0.00 O ATOM 0 H GLU A 42 -8.433 5.327 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.044 2.804 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.590 3.190 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.376 3.910 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.981 1.852 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.487 1.144 -1.665 1.00 0.00 H new ATOM 602 N ALA A 43 -6.934 4.782 0.291 1.00 0.00 N ATOM 603 CA ALA A 43 -6.328 5.025 1.595 1.00 0.00 C ATOM 604 C ALA A 43 -7.403 5.255 2.654 1.00 0.00 C ATOM 605 O ALA A 43 -7.345 4.687 3.743 1.00 0.00 O ATOM 606 CB ALA A 43 -5.415 6.247 1.531 1.00 0.00 C ATOM 0 H ALA A 43 -6.734 5.492 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.743 4.146 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.968 6.419 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.627 6.075 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.997 7.121 1.239 1.00 0.00 H new ATOM 612 N LEU A 44 -8.386 6.092 2.327 1.00 0.00 N ATOM 613 CA LEU A 44 -9.467 6.384 3.264 1.00 0.00 C ATOM 614 C LEU A 44 -10.144 5.087 3.690 1.00 0.00 C ATOM 615 O LEU A 44 -10.550 4.932 4.841 1.00 0.00 O ATOM 616 CB LEU A 44 -10.507 7.308 2.614 1.00 0.00 C ATOM 617 CG LEU A 44 -10.099 8.779 2.780 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.100 9.152 4.265 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.702 8.992 2.196 1.00 0.00 C ATOM 0 H LEU A 44 -8.456 6.574 1.431 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.044 6.883 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.603 7.069 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.484 7.142 3.068 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.812 9.412 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.810 10.197 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.099 9.006 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.392 8.519 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.414 10.036 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.988 8.357 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.707 8.735 1.137 1.00 0.00 H new ATOM 631 N LYS A 45 -10.259 4.159 2.745 1.00 0.00 N ATOM 632 CA LYS A 45 -10.884 2.872 3.020 1.00 0.00 C ATOM 633 C LYS A 45 -10.013 2.037 3.956 1.00 0.00 C ATOM 634 O LYS A 45 -10.505 1.461 4.925 1.00 0.00 O ATOM 635 CB LYS A 45 -11.103 2.111 1.710 1.00 0.00 C ATOM 636 CG LYS A 45 -12.312 2.695 0.974 1.00 0.00 C ATOM 637 CD LYS A 45 -12.233 2.330 -0.509 1.00 0.00 C ATOM 638 CE LYS A 45 -13.600 2.542 -1.161 1.00 0.00 C ATOM 639 NZ LYS A 45 -14.198 3.811 -0.657 1.00 0.00 N ATOM 0 H LYS A 45 -9.929 4.274 1.787 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.844 3.052 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.214 2.182 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.265 1.053 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.235 2.308 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.334 3.778 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.482 2.944 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.921 1.292 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.496 2.582 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.257 1.702 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.934 4.134 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.619 3.648 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.458 4.538 -0.582 1.00 0.00 H new ATOM 653 N ALA A 46 -8.718 1.974 3.658 1.00 0.00 N ATOM 654 CA ALA A 46 -7.792 1.203 4.480 1.00 0.00 C ATOM 655 C ALA A 46 -7.617 1.852 5.848 1.00 0.00 C ATOM 656 O ALA A 46 -7.225 1.197 6.813 1.00 0.00 O ATOM 657 CB ALA A 46 -6.434 1.099 3.783 1.00 0.00 C ATOM 0 H ALA A 46 -8.289 2.443 2.860 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.206 0.204 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.749 0.522 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.556 0.603 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.028 2.098 3.627 1.00 0.00 H new ATOM 663 N SER A 47 -7.909 3.145 5.922 1.00 0.00 N ATOM 664 CA SER A 47 -7.780 3.877 7.174 1.00 0.00 C ATOM 665 C SER A 47 -9.090 3.833 7.956 1.00 0.00 C ATOM 666 O SER A 47 -9.308 4.633 8.867 1.00 0.00 O ATOM 667 CB SER A 47 -7.396 5.328 6.891 1.00 0.00 C ATOM 668 OG SER A 47 -8.364 5.909 6.027 1.00 0.00 O ATOM 0 H SER A 47 -8.235 3.705 5.134 1.00 0.00 H new ATOM 0 HA SER A 47 -6.999 3.407 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.340 5.890 7.823 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.408 5.372 6.432 1.00 0.00 H new ATOM 0 HG SER A 47 -9.169 5.350 6.015 1.00 0.00 H new ATOM 674 N ASN A 48 -9.956 2.892 7.595 1.00 0.00 N ATOM 675 CA ASN A 48 -11.243 2.744 8.267 1.00 0.00 C ATOM 676 C ASN A 48 -11.954 4.090 8.384 1.00 0.00 C ATOM 677 O ASN A 48 -12.719 4.318 9.321 1.00 0.00 O ATOM 678 CB ASN A 48 -11.046 2.143 9.662 1.00 0.00 C ATOM 679 CG ASN A 48 -9.709 2.589 10.247 1.00 0.00 C ATOM 680 OD1 ASN A 48 -8.673 1.988 9.964 1.00 0.00 O ATOM 681 ND2 ASN A 48 -9.671 3.615 11.052 1.00 0.00 N ATOM 0 H ASN A 48 -9.791 2.222 6.844 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.861 2.074 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.859 2.454 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.081 1.055 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.782 3.920 11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.531 4.112 11.286 1.00 0.00 H new ATOM 688 N GLY A 49 -11.706 4.973 7.422 1.00 0.00 N ATOM 689 CA GLY A 49 -12.337 6.289 7.427 1.00 0.00 C ATOM 690 C GLY A 49 -11.417 7.346 8.032 1.00 0.00 C ATOM 691 O GLY A 49 -11.559 8.535 7.750 1.00 0.00 O ATOM 0 H GLY A 49 -11.079 4.804 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.598 6.573 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.267 6.246 7.994 1.00 0.00 H new ATOM 695 N ASP A 50 -10.476 6.908 8.862 1.00 0.00 N ATOM 696 CA ASP A 50 -9.544 7.838 9.491 1.00 0.00 C ATOM 697 C ASP A 50 -8.778 8.614 8.426 1.00 0.00 C ATOM 698 O ASP A 50 -8.023 8.031 7.649 1.00 0.00 O ATOM 699 CB ASP A 50 -8.563 7.073 10.382 1.00 0.00 C ATOM 700 CG ASP A 50 -9.285 6.547 11.617 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.295 7.125 11.979 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.817 5.571 12.182 1.00 0.00 O ATOM 0 H ASP A 50 -10.339 5.929 9.113 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.109 8.541 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.124 6.244 9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.743 7.727 10.680 1.00 0.00 H new ATOM 707 N ILE A 51 -8.986 9.928 8.381 1.00 0.00 N ATOM 708 CA ILE A 51 -8.312 10.755 7.387 1.00 0.00 C ATOM 709 C ILE A 51 -6.814 10.844 7.677 1.00 0.00 C ATOM 710 O ILE A 51 -5.992 10.471 6.840 1.00 0.00 O ATOM 711 CB ILE A 51 -8.963 12.154 7.335 1.00 0.00 C ATOM 712 CG1 ILE A 51 -9.339 12.465 5.882 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.006 13.235 7.861 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.816 13.914 5.753 1.00 0.00 C ATOM 0 H ILE A 51 -9.606 10.436 9.012 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.425 10.291 6.407 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.849 12.154 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.479 12.300 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.124 11.786 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.494 14.208 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.741 13.014 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.103 13.250 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.079 14.119 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.690 14.067 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.019 14.589 6.065 1.00 0.00 H new ATOM 726 N THR A 52 -6.461 11.331 8.859 1.00 0.00 N ATOM 727 CA THR A 52 -5.060 11.451 9.233 1.00 0.00 C ATOM 728 C THR A 52 -4.302 10.181 8.880 1.00 0.00 C ATOM 729 O THR A 52 -3.323 10.214 8.143 1.00 0.00 O ATOM 730 CB THR A 52 -4.931 11.698 10.731 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.416 12.997 11.043 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.460 11.584 11.126 1.00 0.00 C ATOM 0 H THR A 52 -7.121 11.647 9.570 1.00 0.00 H new ATOM 0 HA THR A 52 -4.637 12.292 8.683 1.00 0.00 H new ATOM 0 HB THR A 52 -5.516 10.961 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.334 13.154 12.007 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.356 11.759 12.197 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.095 10.586 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.878 12.326 10.579 1.00 0.00 H new ATOM 740 N GLN A 53 -4.753 9.055 9.407 1.00 0.00 N ATOM 741 CA GLN A 53 -4.087 7.799 9.117 1.00 0.00 C ATOM 742 C GLN A 53 -3.932 7.639 7.613 1.00 0.00 C ATOM 743 O GLN A 53 -2.817 7.536 7.110 1.00 0.00 O ATOM 744 CB GLN A 53 -4.890 6.628 9.671 1.00 0.00 C ATOM 745 CG GLN A 53 -4.927 6.706 11.197 1.00 0.00 C ATOM 746 CD GLN A 53 -3.516 6.569 11.759 1.00 0.00 C ATOM 747 OE1 GLN A 53 -3.246 7.006 12.878 1.00 0.00 O ATOM 748 NE2 GLN A 53 -2.594 5.982 11.046 1.00 0.00 N ATOM 0 H GLN A 53 -5.561 8.985 10.025 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.105 7.808 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.904 6.648 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.442 5.686 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.362 7.655 11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.564 5.916 11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.819 5.620 10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.648 5.885 11.416 1.00 0.00 H new ATOM 757 N ALA A 54 -5.065 7.647 6.906 1.00 0.00 N ATOM 758 CA ALA A 54 -5.061 7.509 5.455 1.00 0.00 C ATOM 759 C ALA A 54 -3.897 8.280 4.883 1.00 0.00 C ATOM 760 O ALA A 54 -3.049 7.734 4.177 1.00 0.00 O ATOM 761 CB ALA A 54 -6.372 8.047 4.875 1.00 0.00 C ATOM 0 H ALA A 54 -5.993 7.748 7.318 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.965 6.455 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.361 7.940 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.210 7.484 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.480 9.100 5.135 1.00 0.00 H new ATOM 767 N VAL A 55 -3.848 9.544 5.230 1.00 0.00 N ATOM 768 CA VAL A 55 -2.765 10.392 4.789 1.00 0.00 C ATOM 769 C VAL A 55 -1.463 9.644 4.977 1.00 0.00 C ATOM 770 O VAL A 55 -0.720 9.388 4.029 1.00 0.00 O ATOM 771 CB VAL A 55 -2.746 11.668 5.621 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.682 12.612 5.089 1.00 0.00 C ATOM 773 CG2 VAL A 55 -4.119 12.337 5.565 1.00 0.00 C ATOM 0 H VAL A 55 -4.543 10.008 5.815 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.897 10.654 3.739 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.513 11.422 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.672 13.523 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.706 12.130 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.903 12.862 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.104 13.250 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.362 12.583 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.872 11.657 5.963 1.00 0.00 H new ATOM 783 N SER A 56 -1.222 9.281 6.221 1.00 0.00 N ATOM 784 CA SER A 56 -0.026 8.539 6.588 1.00 0.00 C ATOM 785 C SER A 56 0.241 7.419 5.586 1.00 0.00 C ATOM 786 O SER A 56 1.354 7.281 5.082 1.00 0.00 O ATOM 787 CB SER A 56 -0.201 7.952 7.988 1.00 0.00 C ATOM 788 OG SER A 56 1.075 7.637 8.529 1.00 0.00 O ATOM 0 H SER A 56 -1.843 9.489 7.003 1.00 0.00 H new ATOM 0 HA SER A 56 0.826 9.219 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.716 8.665 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.821 7.057 7.944 1.00 0.00 H new ATOM 0 HG SER A 56 0.966 7.262 9.428 1.00 0.00 H new ATOM 794 N LEU A 57 -0.784 6.621 5.294 1.00 0.00 N ATOM 795 CA LEU A 57 -0.621 5.524 4.342 1.00 0.00 C ATOM 796 C LEU A 57 -0.208 6.059 2.982 1.00 0.00 C ATOM 797 O LEU A 57 0.463 5.380 2.206 1.00 0.00 O ATOM 798 CB LEU A 57 -1.930 4.745 4.178 1.00 0.00 C ATOM 799 CG LEU A 57 -2.246 3.966 5.455 1.00 0.00 C ATOM 800 CD1 LEU A 57 -3.125 4.817 6.368 1.00 0.00 C ATOM 801 CD2 LEU A 57 -2.996 2.689 5.086 1.00 0.00 C ATOM 0 H LEU A 57 -1.718 6.709 5.693 1.00 0.00 H new ATOM 0 HA LEU A 57 0.152 4.862 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.745 5.433 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.850 4.058 3.335 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.319 3.718 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.350 4.261 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.599 5.737 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.054 5.062 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.225 2.127 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.923 2.947 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.376 2.080 4.428 1.00 0.00 H new ATOM 813 N LEU A 58 -0.652 7.267 2.693 1.00 0.00 N ATOM 814 CA LEU A 58 -0.365 7.887 1.400 1.00 0.00 C ATOM 815 C LEU A 58 0.954 8.662 1.386 1.00 0.00 C ATOM 816 O LEU A 58 1.454 9.006 0.316 1.00 0.00 O ATOM 817 CB LEU A 58 -1.513 8.823 1.002 1.00 0.00 C ATOM 818 CG LEU A 58 -2.846 8.060 1.034 1.00 0.00 C ATOM 819 CD1 LEU A 58 -4.007 9.046 0.883 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.903 7.037 -0.112 1.00 0.00 C ATOM 0 H LEU A 58 -1.209 7.840 3.326 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.268 7.075 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.554 9.672 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.337 9.224 0.004 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.925 7.536 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.951 8.502 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.982 9.765 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.915 9.574 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.853 6.504 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.813 7.555 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.084 6.326 -0.006 1.00 0.00 H new ATOM 832 N THR A 59 1.516 8.938 2.552 1.00 0.00 N ATOM 833 CA THR A 59 2.778 9.679 2.603 1.00 0.00 C ATOM 834 C THR A 59 3.854 8.893 3.346 1.00 0.00 C ATOM 835 O THR A 59 4.938 9.412 3.616 1.00 0.00 O ATOM 836 CB THR A 59 2.574 11.038 3.277 1.00 0.00 C ATOM 837 OG1 THR A 59 3.731 11.368 4.035 1.00 0.00 O ATOM 838 CG2 THR A 59 1.361 10.973 4.197 1.00 0.00 C ATOM 0 H THR A 59 1.134 8.670 3.459 1.00 0.00 H new ATOM 0 HA THR A 59 3.111 9.832 1.577 1.00 0.00 H new ATOM 0 HB THR A 59 2.409 11.801 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.523 10.979 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.216 11.941 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.475 10.721 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.523 10.211 4.959 1.00 0.00 H new ATOM 846 N ASP A 60 3.553 7.643 3.676 1.00 0.00 N ATOM 847 CA ASP A 60 4.507 6.799 4.389 1.00 0.00 C ATOM 848 C ASP A 60 5.761 6.555 3.550 1.00 0.00 C ATOM 849 O ASP A 60 6.511 5.616 3.807 1.00 0.00 O ATOM 850 CB ASP A 60 3.859 5.456 4.733 1.00 0.00 C ATOM 851 CG ASP A 60 4.335 4.984 6.102 1.00 0.00 C ATOM 852 OD1 ASP A 60 3.933 5.583 7.086 1.00 0.00 O ATOM 853 OD2 ASP A 60 5.093 4.029 6.147 1.00 0.00 O ATOM 0 H ASP A 60 2.663 7.193 3.464 1.00 0.00 H new ATOM 0 HA ASP A 60 4.796 7.316 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.774 5.555 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.113 4.715 3.975 1.00 0.00 H new ATOM 858 N GLU A 61 5.981 7.411 2.554 1.00 0.00 N ATOM 859 CA GLU A 61 7.147 7.289 1.689 1.00 0.00 C ATOM 860 C GLU A 61 6.829 6.454 0.451 1.00 0.00 C ATOM 861 O GLU A 61 7.503 5.462 0.171 1.00 0.00 O ATOM 862 CB GLU A 61 8.291 6.647 2.459 1.00 0.00 C ATOM 863 CG GLU A 61 9.623 7.058 1.834 1.00 0.00 C ATOM 864 CD GLU A 61 9.887 8.536 2.101 1.00 0.00 C ATOM 865 OE1 GLU A 61 9.238 9.084 2.976 1.00 0.00 O ATOM 866 OE2 GLU A 61 10.736 9.097 1.427 1.00 0.00 O ATOM 0 H GLU A 61 5.367 8.194 2.328 1.00 0.00 H new ATOM 0 HA GLU A 61 7.436 8.288 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.258 6.955 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.190 5.562 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.431 6.455 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.604 6.871 0.760 1.00 0.00 H new ATOM 873 N ARG A 62 5.802 6.861 -0.285 1.00 0.00 N ATOM 874 CA ARG A 62 5.405 6.150 -1.489 1.00 0.00 C ATOM 875 C ARG A 62 5.288 7.111 -2.661 1.00 0.00 C ATOM 876 O ARG A 62 6.256 7.363 -3.378 1.00 0.00 O ATOM 877 CB ARG A 62 4.063 5.460 -1.260 1.00 0.00 C ATOM 878 CG ARG A 62 3.170 6.339 -0.382 1.00 0.00 C ATOM 879 CD ARG A 62 3.037 5.706 1.004 1.00 0.00 C ATOM 880 NE ARG A 62 2.232 4.490 0.925 1.00 0.00 N ATOM 881 CZ ARG A 62 2.592 3.372 1.554 1.00 0.00 C ATOM 882 NH1 ARG A 62 3.687 3.338 2.267 1.00 0.00 N ATOM 883 NH2 ARG A 62 1.847 2.303 1.460 1.00 0.00 N ATOM 0 H ARG A 62 5.231 7.678 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 62 6.166 5.405 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.574 5.269 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.218 4.492 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.596 7.339 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.187 6.449 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.025 5.473 1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.575 6.413 1.693 1.00 0.00 H new ATOM 0 HE ARG A 62 1.373 4.497 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.271 4.170 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.957 2.479 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.991 2.325 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.121 1.446 1.941 1.00 0.00 H new ATOM 897 N VAL A 63 4.092 7.641 -2.843 1.00 0.00 N ATOM 898 CA VAL A 63 3.829 8.578 -3.929 1.00 0.00 C ATOM 899 C VAL A 63 4.638 9.855 -3.755 1.00 0.00 C ATOM 900 O VAL A 63 5.632 10.076 -4.446 1.00 0.00 O ATOM 901 CB VAL A 63 2.339 8.913 -3.973 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.015 9.628 -5.284 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.526 7.619 -3.885 1.00 0.00 C ATOM 0 H VAL A 63 3.284 7.440 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 63 4.126 8.108 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 63 2.087 9.562 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.952 9.867 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.596 10.548 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.266 8.980 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.462 7.855 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.779 6.972 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.757 7.107 -2.951 1.00 0.00 H new ATOM 913 N LYS A 64 4.193 10.691 -2.832 1.00 0.00 N ATOM 914 CA LYS A 64 4.858 11.961 -2.555 1.00 0.00 C ATOM 915 C LYS A 64 4.408 13.027 -3.548 1.00 0.00 C ATOM 916 O LYS A 64 3.348 12.907 -4.162 1.00 0.00 O ATOM 917 CB LYS A 64 6.379 11.800 -2.640 1.00 0.00 C ATOM 918 CG LYS A 64 6.788 10.464 -2.018 1.00 0.00 C ATOM 919 CD LYS A 64 7.966 10.681 -1.065 1.00 0.00 C ATOM 920 CE LYS A 64 9.211 11.051 -1.872 1.00 0.00 C ATOM 921 NZ LYS A 64 10.212 11.693 -0.973 1.00 0.00 N ATOM 0 H LYS A 64 3.369 10.515 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 64 4.585 12.271 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.702 11.843 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.872 12.621 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.946 10.029 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.065 9.757 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.732 11.473 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.150 9.777 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.638 10.160 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.944 11.731 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.059 11.945 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.802 12.552 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.474 11.030 -0.216 1.00 0.00 H new ATOM 935 N GLU A 65 5.220 14.067 -3.698 1.00 0.00 N ATOM 936 CA GLU A 65 4.898 15.150 -4.620 1.00 0.00 C ATOM 937 C GLU A 65 6.172 15.703 -5.253 1.00 0.00 C ATOM 938 O GLU A 65 7.248 15.623 -4.660 1.00 0.00 O ATOM 939 CB GLU A 65 4.166 16.269 -3.877 1.00 0.00 C ATOM 940 CG GLU A 65 2.716 15.853 -3.626 1.00 0.00 C ATOM 941 CD GLU A 65 1.923 17.033 -3.072 1.00 0.00 C ATOM 942 OE1 GLU A 65 1.683 17.964 -3.823 1.00 0.00 O ATOM 943 OE2 GLU A 65 1.571 16.988 -1.905 1.00 0.00 O ATOM 0 H GLU A 65 6.101 14.183 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 65 4.253 14.757 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.664 16.478 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.195 17.188 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.263 15.504 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.684 15.021 -2.923 1.00 0.00 H new ATOM 950 N PRO A 66 6.078 16.259 -6.434 1.00 0.00 N ATOM 951 CA PRO A 66 7.261 16.829 -7.133 1.00 0.00 C ATOM 952 C PRO A 66 8.019 17.819 -6.260 1.00 0.00 C ATOM 953 O PRO A 66 9.035 17.477 -5.655 1.00 0.00 O ATOM 954 CB PRO A 66 6.692 17.519 -8.380 1.00 0.00 C ATOM 955 CG PRO A 66 5.287 17.030 -8.543 1.00 0.00 C ATOM 956 CD PRO A 66 4.843 16.402 -7.221 1.00 0.00 C ATOM 0 HA PRO A 66 7.984 16.053 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.713 18.603 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.289 17.280 -9.260 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.627 17.854 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.230 16.299 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.119 17.034 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.365 15.436 -7.384 1.00 0.00 H new ATOM 964 N SER A 67 7.507 19.037 -6.213 1.00 0.00 N ATOM 965 CA SER A 67 8.109 20.111 -5.427 1.00 0.00 C ATOM 966 C SER A 67 9.440 19.689 -4.819 1.00 0.00 C ATOM 967 O SER A 67 10.452 19.600 -5.510 1.00 0.00 O ATOM 968 CB SER A 67 7.156 20.542 -4.314 1.00 0.00 C ATOM 969 OG SER A 67 6.890 19.432 -3.469 1.00 0.00 O ATOM 0 H SER A 67 6.664 19.313 -6.716 1.00 0.00 H new ATOM 0 HA SER A 67 8.295 20.947 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.596 21.356 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.227 20.920 -4.741 1.00 0.00 H new ATOM 0 HG SER A 67 6.280 19.705 -2.752 1.00 0.00 H new ATOM 975 N GLN A 68 9.428 19.440 -3.519 1.00 0.00 N ATOM 976 CA GLN A 68 10.637 19.032 -2.811 1.00 0.00 C ATOM 977 C GLN A 68 11.586 18.282 -3.744 1.00 0.00 C ATOM 978 O GLN A 68 12.777 18.583 -3.802 1.00 0.00 O ATOM 979 CB GLN A 68 10.268 18.137 -1.626 1.00 0.00 C ATOM 980 CG GLN A 68 9.179 18.816 -0.793 1.00 0.00 C ATOM 981 CD GLN A 68 9.711 20.114 -0.194 1.00 0.00 C ATOM 982 OE1 GLN A 68 10.866 20.176 0.229 1.00 0.00 O ATOM 983 NE2 GLN A 68 8.933 21.161 -0.130 1.00 0.00 N ATOM 0 H GLN A 68 8.598 19.512 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 68 11.142 19.928 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.917 17.169 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.148 17.950 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.309 19.024 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.849 18.148 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.977 21.108 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.282 22.032 0.271 1.00 0.00 H new ATOM 992 N ASP A 69 11.051 17.301 -4.465 1.00 0.00 N ATOM 993 CA ASP A 69 11.866 16.511 -5.385 1.00 0.00 C ATOM 994 C ASP A 69 12.418 17.382 -6.500 1.00 0.00 C ATOM 995 O ASP A 69 13.556 17.215 -6.940 1.00 0.00 O ATOM 996 CB ASP A 69 11.031 15.377 -5.982 1.00 0.00 C ATOM 997 CG ASP A 69 11.848 14.089 -6.013 1.00 0.00 C ATOM 998 OD1 ASP A 69 12.903 14.095 -6.626 1.00 0.00 O ATOM 999 OD2 ASP A 69 11.405 13.117 -5.425 1.00 0.00 O ATOM 0 H ASP A 69 10.067 17.035 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 69 12.702 16.090 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.127 15.230 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.713 15.640 -6.991 1.00 0.00 H new ATOM 1004 N THR A 70 11.598 18.309 -6.935 1.00 0.00 N ATOM 1005 CA THR A 70 11.972 19.236 -7.998 1.00 0.00 C ATOM 1006 C THR A 70 11.249 20.566 -7.819 1.00 0.00 C ATOM 1007 O THR A 70 10.061 20.597 -7.492 1.00 0.00 O ATOM 1008 CB THR A 70 11.612 18.642 -9.362 1.00 0.00 C ATOM 1009 OG1 THR A 70 10.409 17.897 -9.248 1.00 0.00 O ATOM 1010 CG2 THR A 70 12.739 17.726 -9.842 1.00 0.00 C ATOM 0 H THR A 70 10.656 18.449 -6.570 1.00 0.00 H new ATOM 0 HA THR A 70 13.048 19.404 -7.948 1.00 0.00 H new ATOM 0 HB THR A 70 11.475 19.448 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.176 17.517 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.478 17.306 -10.813 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.661 18.300 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.882 16.918 -9.124 1.00 0.00 H new ATOM 1018 N VAL A 71 11.965 21.662 -8.036 1.00 0.00 N ATOM 1019 CA VAL A 71 11.372 22.987 -7.894 1.00 0.00 C ATOM 1020 C VAL A 71 11.360 23.716 -9.232 1.00 0.00 C ATOM 1021 O VAL A 71 11.312 23.092 -10.291 1.00 0.00 O ATOM 1022 CB VAL A 71 12.157 23.807 -6.867 1.00 0.00 C ATOM 1023 CG1 VAL A 71 13.390 24.425 -7.530 1.00 0.00 C ATOM 1024 CG2 VAL A 71 11.266 24.919 -6.310 1.00 0.00 C ATOM 0 H VAL A 71 12.948 21.662 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 71 10.344 22.868 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 71 12.475 23.154 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.945 25.008 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.028 23.633 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.076 25.076 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 71 11.826 25.502 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.944 25.569 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.392 24.479 -5.830 1.00 0.00 H new ATOM 1034 N ALA A 72 11.405 25.040 -9.172 1.00 0.00 N ATOM 1035 CA ALA A 72 11.400 25.854 -10.381 1.00 0.00 C ATOM 1036 C ALA A 72 12.247 27.102 -10.186 1.00 0.00 C ATOM 1037 O ALA A 72 13.415 27.147 -10.571 1.00 0.00 O ATOM 1038 CB ALA A 72 9.966 26.255 -10.736 1.00 0.00 C ATOM 0 H ALA A 72 11.445 25.572 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 72 11.822 25.266 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.972 26.863 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.369 25.359 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.535 26.829 -9.916 1.00 0.00 H new ATOM 1044 N THR A 73 11.643 28.108 -9.583 1.00 0.00 N ATOM 1045 CA THR A 73 12.332 29.367 -9.327 1.00 0.00 C ATOM 1046 C THR A 73 13.613 29.124 -8.531 1.00 0.00 C ATOM 1047 O THR A 73 14.619 28.674 -9.082 1.00 0.00 O ATOM 1048 CB THR A 73 11.408 30.315 -8.557 1.00 0.00 C ATOM 1049 OG1 THR A 73 10.226 30.532 -9.314 1.00 0.00 O ATOM 1050 CG2 THR A 73 12.112 31.654 -8.319 1.00 0.00 C ATOM 0 H THR A 73 10.676 28.082 -9.259 1.00 0.00 H new ATOM 0 HA THR A 73 12.599 29.821 -10.281 1.00 0.00 H new ATOM 0 HB THR A 73 11.156 29.869 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.630 31.137 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.448 32.322 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.020 31.490 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.370 32.105 -9.277 1.00 0.00 H new ATOM 1058 N GLU A 74 13.572 29.423 -7.234 1.00 0.00 N ATOM 1059 CA GLU A 74 14.742 29.229 -6.383 1.00 0.00 C ATOM 1060 C GLU A 74 14.352 28.596 -5.047 1.00 0.00 C ATOM 1061 O GLU A 74 14.742 27.466 -4.755 1.00 0.00 O ATOM 1062 CB GLU A 74 15.444 30.569 -6.143 1.00 0.00 C ATOM 1063 CG GLU A 74 16.662 30.673 -7.061 1.00 0.00 C ATOM 1064 CD GLU A 74 17.041 32.137 -7.260 1.00 0.00 C ATOM 1065 OE1 GLU A 74 17.339 32.790 -6.275 1.00 0.00 O ATOM 1066 OE2 GLU A 74 17.026 32.582 -8.396 1.00 0.00 O ATOM 0 H GLU A 74 12.752 29.796 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 74 15.425 28.551 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.757 31.392 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.752 30.650 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.501 30.127 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.443 30.211 -8.024 1.00 0.00 H new ATOM 1073 N PRO A 75 13.597 29.294 -4.235 1.00 0.00 N ATOM 1074 CA PRO A 75 13.159 28.773 -2.905 1.00 0.00 C ATOM 1075 C PRO A 75 12.247 27.557 -3.038 1.00 0.00 C ATOM 1076 O PRO A 75 12.006 27.068 -4.141 1.00 0.00 O ATOM 1077 CB PRO A 75 12.411 29.948 -2.270 1.00 0.00 C ATOM 1078 CG PRO A 75 12.018 30.835 -3.404 1.00 0.00 C ATOM 1079 CD PRO A 75 13.078 30.648 -4.487 1.00 0.00 C ATOM 0 HA PRO A 75 14.004 28.433 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.535 29.604 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.045 30.478 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.029 30.571 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.970 31.876 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.650 30.734 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.864 31.399 -4.412 1.00 0.00 H new ATOM 1087 N SER A 76 11.744 27.073 -1.907 1.00 0.00 N ATOM 1088 CA SER A 76 10.860 25.912 -1.911 1.00 0.00 C ATOM 1089 C SER A 76 9.397 26.346 -1.922 1.00 0.00 C ATOM 1090 O SER A 76 8.972 27.155 -1.098 1.00 0.00 O ATOM 1091 CB SER A 76 11.133 25.047 -0.680 1.00 0.00 C ATOM 1092 OG SER A 76 10.895 23.683 -1.002 1.00 0.00 O ATOM 0 H SER A 76 11.931 27.462 -0.983 1.00 0.00 H new ATOM 0 HA SER A 76 11.056 25.333 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.163 25.180 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.491 25.355 0.145 1.00 0.00 H new ATOM 0 HG SER A 76 10.914 23.145 -0.183 1.00 0.00 H new ATOM 1098 N GLU A 77 8.632 25.801 -2.864 1.00 0.00 N ATOM 1099 CA GLU A 77 7.217 26.137 -2.977 1.00 0.00 C ATOM 1100 C GLU A 77 6.478 25.765 -1.700 1.00 0.00 C ATOM 1101 O GLU A 77 5.326 26.148 -1.499 1.00 0.00 O ATOM 1102 CB GLU A 77 6.597 25.390 -4.158 1.00 0.00 C ATOM 1103 CG GLU A 77 6.482 26.332 -5.356 1.00 0.00 C ATOM 1104 CD GLU A 77 5.820 25.608 -6.525 1.00 0.00 C ATOM 1105 OE1 GLU A 77 4.673 25.219 -6.382 1.00 0.00 O ATOM 1106 OE2 GLU A 77 6.472 25.453 -7.545 1.00 0.00 O ATOM 0 H GLU A 77 8.966 25.129 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 77 7.129 27.211 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.210 24.527 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.612 25.010 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.898 27.211 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.471 26.685 -5.649 1.00 0.00 H new ATOM 1113 N VAL A 78 7.153 25.013 -0.843 1.00 0.00 N ATOM 1114 CA VAL A 78 6.558 24.585 0.415 1.00 0.00 C ATOM 1115 C VAL A 78 7.548 24.763 1.562 1.00 0.00 C ATOM 1116 O VAL A 78 8.059 25.860 1.788 1.00 0.00 O ATOM 1117 CB VAL A 78 6.140 23.117 0.320 1.00 0.00 C ATOM 1118 CG1 VAL A 78 5.237 22.765 1.503 1.00 0.00 C ATOM 1119 CG2 VAL A 78 5.376 22.890 -0.987 1.00 0.00 C ATOM 0 H VAL A 78 8.108 24.688 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 78 5.680 25.200 0.610 1.00 0.00 H new ATOM 0 HB VAL A 78 7.028 22.485 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.939 21.719 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.778 22.928 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.349 23.397 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.077 21.844 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.489 23.523 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.017 23.141 -1.832 1.00 0.00 H new ATOM 1129 N GLU A 79 7.813 23.681 2.285 1.00 0.00 N ATOM 1130 CA GLU A 79 8.744 23.735 3.407 1.00 0.00 C ATOM 1131 C GLU A 79 9.988 22.904 3.112 1.00 0.00 C ATOM 1132 O GLU A 79 10.243 22.533 1.967 1.00 0.00 O ATOM 1133 CB GLU A 79 8.064 23.212 4.675 1.00 0.00 C ATOM 1134 CG GLU A 79 7.454 21.836 4.398 1.00 0.00 C ATOM 1135 CD GLU A 79 7.222 21.096 5.711 1.00 0.00 C ATOM 1136 OE1 GLU A 79 8.144 21.042 6.509 1.00 0.00 O ATOM 1137 OE2 GLU A 79 6.127 20.595 5.900 1.00 0.00 O ATOM 0 H GLU A 79 7.401 22.763 2.117 1.00 0.00 H new ATOM 0 HA GLU A 79 9.043 24.772 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.788 23.144 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.289 23.907 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.511 21.948 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.118 21.257 3.757 1.00 0.00 H new ATOM 1144 N GLY A 80 10.759 22.611 4.156 1.00 0.00 N ATOM 1145 CA GLY A 80 11.974 21.821 3.999 1.00 0.00 C ATOM 1146 C GLY A 80 11.714 20.360 4.347 1.00 0.00 C ATOM 1147 O GLY A 80 10.590 19.984 4.680 1.00 0.00 O ATOM 0 H GLY A 80 10.565 22.907 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.334 21.897 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.759 22.219 4.642 1.00 0.00 H new ATOM 1151 N SER A 81 12.757 19.542 4.271 1.00 0.00 N ATOM 1152 CA SER A 81 12.622 18.124 4.585 1.00 0.00 C ATOM 1153 C SER A 81 13.104 17.839 6.003 1.00 0.00 C ATOM 1154 O SER A 81 13.737 18.682 6.637 1.00 0.00 O ATOM 1155 CB SER A 81 13.428 17.284 3.598 1.00 0.00 C ATOM 1156 OG SER A 81 13.359 17.878 2.308 1.00 0.00 O ATOM 0 H SER A 81 13.696 19.831 3.998 1.00 0.00 H new ATOM 0 HA SER A 81 11.567 17.860 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.466 17.215 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.037 16.267 3.564 1.00 0.00 H new ATOM 0 HG SER A 81 13.877 17.341 1.673 1.00 0.00 H new ATOM 1162 N ALA A 82 12.795 16.645 6.493 1.00 0.00 N ATOM 1163 CA ALA A 82 13.191 16.251 7.831 1.00 0.00 C ATOM 1164 C ALA A 82 14.640 15.775 7.848 1.00 0.00 C ATOM 1165 O ALA A 82 15.556 16.552 8.119 1.00 0.00 O ATOM 1166 CB ALA A 82 12.276 15.134 8.329 1.00 0.00 C ATOM 0 H ALA A 82 12.271 15.935 5.981 1.00 0.00 H new ATOM 0 HA ALA A 82 13.104 17.116 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.576 14.840 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.245 15.488 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.353 14.276 7.662 1.00 0.00 H new ATOM 1172 N ALA A 83 14.837 14.495 7.554 1.00 0.00 N ATOM 1173 CA ALA A 83 16.178 13.923 7.536 1.00 0.00 C ATOM 1174 C ALA A 83 16.999 14.439 8.711 1.00 0.00 C ATOM 1175 O ALA A 83 16.470 15.082 9.619 1.00 0.00 O ATOM 1176 CB ALA A 83 16.878 14.282 6.224 1.00 0.00 C ATOM 0 H ALA A 83 14.091 13.838 7.326 1.00 0.00 H new ATOM 0 HA ALA A 83 16.092 12.840 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.880 13.852 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.306 13.884 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.948 15.366 6.134 1.00 0.00 H new ATOM 1182 N ASN A 84 18.297 14.156 8.685 1.00 0.00 N ATOM 1183 CA ASN A 84 19.192 14.595 9.749 1.00 0.00 C ATOM 1184 C ASN A 84 20.638 14.288 9.378 1.00 0.00 C ATOM 1185 O ASN A 84 21.566 14.627 10.112 1.00 0.00 O ATOM 1186 CB ASN A 84 18.834 13.893 11.059 1.00 0.00 C ATOM 1187 CG ASN A 84 19.320 14.720 12.243 1.00 0.00 C ATOM 1188 OD1 ASN A 84 20.178 14.274 13.004 1.00 0.00 O ATOM 1189 ND2 ASN A 84 18.817 15.908 12.447 1.00 0.00 N ATOM 0 H ASN A 84 18.751 13.626 7.941 1.00 0.00 H new ATOM 0 HA ASN A 84 19.079 15.671 9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 84 17.755 13.751 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.288 12.902 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.135 16.468 13.238 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.106 16.276 11.815 1.00 0.00 H new ATOM 1196 N LYS A 85 20.817 13.645 8.230 1.00 0.00 N ATOM 1197 CA LYS A 85 22.149 13.293 7.756 1.00 0.00 C ATOM 1198 C LYS A 85 22.936 14.551 7.398 1.00 0.00 C ATOM 1199 O LYS A 85 22.599 15.649 7.836 1.00 0.00 O ATOM 1200 CB LYS A 85 22.037 12.388 6.526 1.00 0.00 C ATOM 1201 CG LYS A 85 23.072 11.265 6.613 1.00 0.00 C ATOM 1202 CD LYS A 85 23.393 10.762 5.203 1.00 0.00 C ATOM 1203 CE LYS A 85 24.589 9.810 5.256 1.00 0.00 C ATOM 1204 NZ LYS A 85 25.132 9.619 3.880 1.00 0.00 N ATOM 0 H LYS A 85 20.058 13.358 7.612 1.00 0.00 H new ATOM 0 HA LYS A 85 22.675 12.764 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.034 11.966 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 85 22.195 12.971 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.979 11.627 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.689 10.448 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.527 10.251 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.615 11.604 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 85 25.361 10.215 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.286 8.851 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.945 8.972 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.394 9.215 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.436 10.537 3.496 1.00 0.00 H new ATOM 1218 N GLU A 86 23.984 14.380 6.600 1.00 0.00 N ATOM 1219 CA GLU A 86 24.812 15.508 6.189 1.00 0.00 C ATOM 1220 C GLU A 86 25.414 16.198 7.407 1.00 0.00 C ATOM 1221 O GLU A 86 24.973 17.279 7.799 1.00 0.00 O ATOM 1222 CB GLU A 86 23.977 16.516 5.399 1.00 0.00 C ATOM 1223 CG GLU A 86 24.884 17.632 4.879 1.00 0.00 C ATOM 1224 CD GLU A 86 25.471 17.240 3.527 1.00 0.00 C ATOM 1225 OE1 GLU A 86 26.182 16.250 3.479 1.00 0.00 O ATOM 1226 OE2 GLU A 86 25.201 17.934 2.561 1.00 0.00 O ATOM 0 H GLU A 86 24.279 13.478 6.227 1.00 0.00 H new ATOM 0 HA GLU A 86 25.616 15.129 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 86 23.480 16.019 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.195 16.934 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 86 24.317 18.558 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 86 25.686 17.822 5.592 1.00 0.00 H new ATOM 1233 N VAL A 87 26.424 15.573 7.999 1.00 0.00 N ATOM 1234 CA VAL A 87 27.073 16.147 9.169 1.00 0.00 C ATOM 1235 C VAL A 87 28.516 15.689 9.270 1.00 0.00 C ATOM 1236 O VAL A 87 28.805 14.491 9.278 1.00 0.00 O ATOM 1237 CB VAL A 87 26.323 15.746 10.438 1.00 0.00 C ATOM 1238 CG1 VAL A 87 26.479 16.848 11.487 1.00 0.00 C ATOM 1239 CG2 VAL A 87 24.839 15.553 10.116 1.00 0.00 C ATOM 0 H VAL A 87 26.807 14.679 7.692 1.00 0.00 H new ATOM 0 HA VAL A 87 27.057 17.232 9.063 1.00 0.00 H new ATOM 0 HB VAL A 87 26.733 14.813 10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 87 25.945 16.565 12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 87 27.536 16.985 11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.068 17.780 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 87 24.304 15.267 11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 87 24.426 16.485 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 87 24.728 14.769 9.366 1.00 0.00 H new ATOM 1249 N LEU A 88 29.418 16.655 9.364 1.00 0.00 N ATOM 1250 CA LEU A 88 30.834 16.354 9.485 1.00 0.00 C ATOM 1251 C LEU A 88 31.124 15.865 10.887 1.00 0.00 C ATOM 1252 O LEU A 88 32.048 15.086 11.122 1.00 0.00 O ATOM 1253 CB LEU A 88 31.655 17.604 9.214 1.00 0.00 C ATOM 1254 CG LEU A 88 31.355 18.155 7.820 1.00 0.00 C ATOM 1255 CD1 LEU A 88 30.925 17.039 6.861 1.00 0.00 C ATOM 1256 CD2 LEU A 88 30.249 19.207 7.912 1.00 0.00 C ATOM 0 H LEU A 88 29.194 17.650 9.359 1.00 0.00 H new ATOM 0 HA LEU A 88 31.099 15.584 8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 88 31.433 18.361 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 32.717 17.373 9.299 1.00 0.00 H new ATOM 0 HG LEU A 88 32.266 18.607 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 88 30.719 17.463 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 88 31.724 16.303 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 88 30.026 16.557 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 88 30.036 19.599 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 88 29.348 18.752 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 88 30.574 20.020 8.561 1.00 0.00 H new ATOM 1268 N ALA A 89 30.309 16.336 11.808 1.00 0.00 N ATOM 1269 CA ALA A 89 30.438 15.969 13.205 1.00 0.00 C ATOM 1270 C ALA A 89 31.762 16.468 13.768 1.00 0.00 C ATOM 1271 O ALA A 89 32.385 17.369 13.207 1.00 0.00 O ATOM 1272 CB ALA A 89 30.351 14.455 13.339 1.00 0.00 C ATOM 0 H ALA A 89 29.543 16.980 11.612 1.00 0.00 H new ATOM 0 HA ALA A 89 29.629 16.432 13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 89 30.448 14.176 14.388 1.00 0.00 H new ATOM 0 HB2 ALA A 89 29.389 14.111 12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 89 31.154 13.992 12.765 1.00 0.00 H new ATOM 1278 N LYS A 90 32.186 15.882 14.881 1.00 0.00 N ATOM 1279 CA LYS A 90 33.436 16.285 15.506 1.00 0.00 C ATOM 1280 C LYS A 90 34.116 15.101 16.177 1.00 0.00 C ATOM 1281 O LYS A 90 33.456 14.185 16.668 1.00 0.00 O ATOM 1282 CB LYS A 90 33.170 17.369 16.549 1.00 0.00 C ATOM 1283 CG LYS A 90 34.294 18.402 16.499 1.00 0.00 C ATOM 1284 CD LYS A 90 34.021 19.389 15.364 1.00 0.00 C ATOM 1285 CE LYS A 90 32.853 20.303 15.748 1.00 0.00 C ATOM 1286 NZ LYS A 90 33.312 21.721 15.746 1.00 0.00 N ATOM 0 H LYS A 90 31.688 15.134 15.364 1.00 0.00 H new ATOM 0 HA LYS A 90 34.094 16.673 14.728 1.00 0.00 H new ATOM 0 HB2 LYS A 90 32.210 17.849 16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 90 33.111 16.927 17.543 1.00 0.00 H new ATOM 0 HG2 LYS A 90 34.360 18.932 17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 90 35.252 17.907 16.343 1.00 0.00 H new ATOM 0 HD2 LYS A 90 34.912 19.985 15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 90 33.787 18.849 14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 90 32.030 20.175 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 32.475 20.033 16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 32.520 22.343 16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 34.084 21.837 16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 33.653 21.974 14.797 1.00 0.00 H new ATOM 1300 N VAL A 91 35.442 15.135 16.203 1.00 0.00 N ATOM 1301 CA VAL A 91 36.211 14.067 16.825 1.00 0.00 C ATOM 1302 C VAL A 91 37.285 14.650 17.733 1.00 0.00 C ATOM 1303 O VAL A 91 38.043 13.915 18.366 1.00 0.00 O ATOM 1304 CB VAL A 91 36.871 13.196 15.756 1.00 0.00 C ATOM 1305 CG1 VAL A 91 37.790 14.061 14.892 1.00 0.00 C ATOM 1306 CG2 VAL A 91 37.696 12.101 16.437 1.00 0.00 C ATOM 0 H VAL A 91 36.004 15.886 15.803 1.00 0.00 H new ATOM 0 HA VAL A 91 35.530 13.456 17.418 1.00 0.00 H new ATOM 0 HB VAL A 91 36.104 12.741 15.129 1.00 0.00 H new ATOM 0 HG11 VAL A 91 38.262 13.441 14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 37.205 14.846 14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 91 38.559 14.513 15.518 1.00 0.00 H new ATOM 0 HG21 VAL A 91 38.169 11.477 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 91 38.464 12.559 17.061 1.00 0.00 H new ATOM 0 HG23 VAL A 91 37.044 11.487 17.057 1.00 0.00 H new ATOM 1316 N ILE A 92 37.353 15.976 17.785 1.00 0.00 N ATOM 1317 CA ILE A 92 38.347 16.640 18.612 1.00 0.00 C ATOM 1318 C ILE A 92 39.663 15.880 18.554 1.00 0.00 C ATOM 1319 O ILE A 92 40.424 16.003 17.594 1.00 0.00 O ATOM 1320 CB ILE A 92 37.857 16.725 20.058 1.00 0.00 C ATOM 1321 CG1 ILE A 92 36.598 17.592 20.117 1.00 0.00 C ATOM 1322 CG2 ILE A 92 38.945 17.354 20.927 1.00 0.00 C ATOM 1323 CD1 ILE A 92 36.904 18.977 19.546 1.00 0.00 C ATOM 0 H ILE A 92 36.737 16.605 17.269 1.00 0.00 H new ATOM 0 HA ILE A 92 38.503 17.650 18.233 1.00 0.00 H new ATOM 0 HB ILE A 92 37.630 15.724 20.425 1.00 0.00 H new ATOM 0 HG12 ILE A 92 35.794 17.123 19.550 1.00 0.00 H new ATOM 0 HG13 ILE A 92 36.252 17.680 21.147 1.00 0.00 H new ATOM 0 HG21 ILE A 92 38.597 17.415 21.958 1.00 0.00 H new ATOM 0 HG22 ILE A 92 39.845 16.741 20.884 1.00 0.00 H new ATOM 0 HG23 ILE A 92 39.170 18.355 20.560 1.00 0.00 H new ATOM 0 HD11 ILE A 92 36.007 19.594 19.588 1.00 0.00 H new ATOM 0 HD12 ILE A 92 37.695 19.446 20.132 1.00 0.00 H new ATOM 0 HD13 ILE A 92 37.229 18.880 18.510 1.00 0.00 H new ATOM 1335 N ASP A 93 39.920 15.095 19.586 1.00 0.00 N ATOM 1336 CA ASP A 93 41.141 14.312 19.652 1.00 0.00 C ATOM 1337 C ASP A 93 41.327 13.754 21.049 1.00 0.00 C ATOM 1338 O ASP A 93 41.546 14.495 22.007 1.00 0.00 O ATOM 1339 CB ASP A 93 42.332 15.181 19.272 1.00 0.00 C ATOM 1340 CG ASP A 93 43.606 14.622 19.893 1.00 0.00 C ATOM 1341 OD1 ASP A 93 43.886 13.455 19.675 1.00 0.00 O ATOM 1342 OD2 ASP A 93 44.283 15.368 20.580 1.00 0.00 O ATOM 0 H ASP A 93 39.300 14.983 20.388 1.00 0.00 H new ATOM 0 HA ASP A 93 41.069 13.481 18.950 1.00 0.00 H new ATOM 0 HB2 ASP A 93 42.433 15.219 18.187 1.00 0.00 H new ATOM 0 HB3 ASP A 93 42.170 16.203 19.613 1.00 0.00 H new ATOM 1347 N LEU A 94 41.222 12.441 21.154 1.00 0.00 N ATOM 1348 CA LEU A 94 41.361 11.776 22.433 1.00 0.00 C ATOM 1349 C LEU A 94 42.190 10.511 22.292 1.00 0.00 C ATOM 1350 O LEU A 94 43.408 10.523 22.466 1.00 0.00 O ATOM 1351 CB LEU A 94 39.972 11.426 22.963 1.00 0.00 C ATOM 1352 CG LEU A 94 39.096 12.678 22.981 1.00 0.00 C ATOM 1353 CD1 LEU A 94 38.122 12.628 21.804 1.00 0.00 C ATOM 1354 CD2 LEU A 94 38.309 12.724 24.290 1.00 0.00 C ATOM 0 H LEU A 94 41.041 11.816 20.368 1.00 0.00 H new ATOM 0 HA LEU A 94 41.870 12.443 23.129 1.00 0.00 H new ATOM 0 HB2 LEU A 94 39.515 10.660 22.336 1.00 0.00 H new ATOM 0 HB3 LEU A 94 40.050 11.011 23.968 1.00 0.00 H new ATOM 0 HG LEU A 94 39.722 13.567 22.900 1.00 0.00 H new ATOM 0 HD11 LEU A 94 37.495 13.519 21.813 1.00 0.00 H new ATOM 0 HD12 LEU A 94 38.682 12.587 20.870 1.00 0.00 H new ATOM 0 HD13 LEU A 94 37.494 11.741 21.889 1.00 0.00 H new ATOM 0 HD21 LEU A 94 37.683 13.616 24.307 1.00 0.00 H new ATOM 0 HD22 LEU A 94 37.680 11.837 24.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 39.002 12.752 25.131 1.00 0.00 H new ATOM 1366 N THR A 95 41.510 9.426 21.975 1.00 0.00 N ATOM 1367 CA THR A 95 42.160 8.136 21.804 1.00 0.00 C ATOM 1368 C THR A 95 43.131 8.164 20.628 1.00 0.00 C ATOM 1369 O THR A 95 42.743 8.445 19.494 1.00 0.00 O ATOM 1370 CB THR A 95 41.101 7.057 21.568 1.00 0.00 C ATOM 1371 OG1 THR A 95 41.733 5.863 21.129 1.00 0.00 O ATOM 1372 CG2 THR A 95 40.104 7.534 20.505 1.00 0.00 C ATOM 0 H THR A 95 40.501 9.410 21.829 1.00 0.00 H new ATOM 0 HA THR A 95 42.723 7.912 22.710 1.00 0.00 H new ATOM 0 HB THR A 95 40.567 6.864 22.498 1.00 0.00 H new ATOM 0 HG1 THR A 95 41.192 5.446 20.427 1.00 0.00 H new ATOM 0 HG21 THR A 95 39.352 6.763 20.340 1.00 0.00 H new ATOM 0 HG22 THR A 95 39.618 8.448 20.846 1.00 0.00 H new ATOM 0 HG23 THR A 95 40.633 7.731 19.572 1.00 0.00 H new ATOM 1380 N HIS A 96 44.395 7.861 20.907 1.00 0.00 N ATOM 1381 CA HIS A 96 45.416 7.843 19.867 1.00 0.00 C ATOM 1382 C HIS A 96 45.777 6.402 19.518 1.00 0.00 C ATOM 1383 O HIS A 96 45.005 5.480 19.778 1.00 0.00 O ATOM 1384 CB HIS A 96 46.665 8.587 20.348 1.00 0.00 C ATOM 1385 CG HIS A 96 46.296 9.508 21.477 1.00 0.00 C ATOM 1386 ND1 HIS A 96 46.434 9.139 22.807 1.00 0.00 N ATOM 1387 CD2 HIS A 96 45.790 10.785 21.495 1.00 0.00 C ATOM 1388 CE1 HIS A 96 46.019 10.173 23.561 1.00 0.00 C ATOM 1389 NE2 HIS A 96 45.616 11.203 22.811 1.00 0.00 N ATOM 0 H HIS A 96 44.735 7.626 21.840 1.00 0.00 H new ATOM 0 HA HIS A 96 45.025 8.339 18.979 1.00 0.00 H new ATOM 0 HB2 HIS A 96 47.421 7.875 20.678 1.00 0.00 H new ATOM 0 HB3 HIS A 96 47.101 9.157 19.527 1.00 0.00 H new ATOM 0 HD2 HIS A 96 45.562 11.375 20.620 1.00 0.00 H new ATOM 0 HE1 HIS A 96 46.012 10.171 24.641 1.00 0.00 H new ATOM 0 HE2 HIS A 96 45.258 12.102 23.134 1.00 0.00 H new ATOM 1397 N ASP A 97 46.955 6.213 18.934 1.00 0.00 N ATOM 1398 CA ASP A 97 47.401 4.875 18.562 1.00 0.00 C ATOM 1399 C ASP A 97 48.529 4.422 19.483 1.00 0.00 C ATOM 1400 O ASP A 97 49.705 4.652 19.199 1.00 0.00 O ATOM 1401 CB ASP A 97 47.885 4.872 17.110 1.00 0.00 C ATOM 1402 CG ASP A 97 47.640 6.238 16.477 1.00 0.00 C ATOM 1403 OD1 ASP A 97 48.133 7.215 17.017 1.00 0.00 O ATOM 1404 OD2 ASP A 97 46.964 6.287 15.464 1.00 0.00 O ATOM 0 H ASP A 97 47.612 6.960 18.710 1.00 0.00 H new ATOM 0 HA ASP A 97 46.563 4.185 18.662 1.00 0.00 H new ATOM 0 HB2 ASP A 97 48.947 4.629 17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 97 47.362 4.101 16.545 1.00 0.00 H new ATOM 1409 N ASN A 98 48.164 3.788 20.594 1.00 0.00 N ATOM 1410 CA ASN A 98 49.160 3.326 21.552 1.00 0.00 C ATOM 1411 C ASN A 98 49.231 1.801 21.597 1.00 0.00 C ATOM 1412 O ASN A 98 49.730 1.170 20.665 1.00 0.00 O ATOM 1413 CB ASN A 98 48.842 3.877 22.942 1.00 0.00 C ATOM 1414 CG ASN A 98 48.572 5.375 22.856 1.00 0.00 C ATOM 1415 OD1 ASN A 98 49.501 6.180 22.921 1.00 0.00 O ATOM 1416 ND2 ASN A 98 47.346 5.800 22.710 1.00 0.00 N ATOM 0 H ASN A 98 47.198 3.585 20.850 1.00 0.00 H new ATOM 0 HA ASN A 98 50.133 3.696 21.228 1.00 0.00 H new ATOM 0 HB2 ASN A 98 47.973 3.365 23.356 1.00 0.00 H new ATOM 0 HB3 ASN A 98 49.676 3.687 23.618 1.00 0.00 H new ATOM 0 HD21 ASN A 98 47.157 6.800 22.650 1.00 0.00 H new ATOM 0 HD22 ASN A 98 46.577 5.131 22.656 1.00 0.00 H new ATOM 1423 N LYS A 99 48.766 1.213 22.696 1.00 0.00 N ATOM 1424 CA LYS A 99 48.829 -0.240 22.849 1.00 0.00 C ATOM 1425 C LYS A 99 47.473 -0.867 23.172 1.00 0.00 C ATOM 1426 O LYS A 99 46.430 -0.451 22.666 1.00 0.00 O ATOM 1427 CB LYS A 99 49.806 -0.582 23.968 1.00 0.00 C ATOM 1428 CG LYS A 99 50.349 -1.992 23.757 1.00 0.00 C ATOM 1429 CD LYS A 99 51.576 -1.925 22.852 1.00 0.00 C ATOM 1430 CE LYS A 99 52.727 -1.252 23.603 1.00 0.00 C ATOM 1431 NZ LYS A 99 54.016 -1.879 23.197 1.00 0.00 N ATOM 0 H LYS A 99 48.348 1.709 23.483 1.00 0.00 H new ATOM 0 HA LYS A 99 49.158 -0.648 21.893 1.00 0.00 H new ATOM 0 HB2 LYS A 99 50.626 0.136 23.982 1.00 0.00 H new ATOM 0 HB3 LYS A 99 49.307 -0.514 24.934 1.00 0.00 H new ATOM 0 HG2 LYS A 99 50.612 -2.441 24.715 1.00 0.00 H new ATOM 0 HG3 LYS A 99 49.585 -2.626 23.308 1.00 0.00 H new ATOM 0 HD2 LYS A 99 51.867 -2.928 22.542 1.00 0.00 H new ATOM 0 HD3 LYS A 99 51.343 -1.366 21.946 1.00 0.00 H new ATOM 0 HE2 LYS A 99 52.744 -0.184 23.384 1.00 0.00 H new ATOM 0 HE3 LYS A 99 52.583 -1.354 24.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 54.800 -1.423 23.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 53.997 -2.893 23.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 54.153 -1.760 22.173 1.00 0.00 H new ATOM 1445 N ASP A 100 47.512 -1.897 24.014 1.00 0.00 N ATOM 1446 CA ASP A 100 46.305 -2.611 24.403 1.00 0.00 C ATOM 1447 C ASP A 100 45.443 -1.761 25.329 1.00 0.00 C ATOM 1448 O ASP A 100 44.249 -2.013 25.483 1.00 0.00 O ATOM 1449 CB ASP A 100 46.676 -3.916 25.106 1.00 0.00 C ATOM 1450 CG ASP A 100 47.791 -3.666 26.114 1.00 0.00 C ATOM 1451 OD1 ASP A 100 47.671 -2.722 26.877 1.00 0.00 O ATOM 1452 OD2 ASP A 100 48.750 -4.421 26.107 1.00 0.00 O ATOM 0 H ASP A 100 48.368 -2.254 24.439 1.00 0.00 H new ATOM 0 HA ASP A 100 45.734 -2.830 23.501 1.00 0.00 H new ATOM 0 HB2 ASP A 100 45.803 -4.327 25.612 1.00 0.00 H new ATOM 0 HB3 ASP A 100 46.997 -4.655 24.372 1.00 0.00 H new ATOM 1457 N ASP A 101 46.052 -0.756 25.948 1.00 0.00 N ATOM 1458 CA ASP A 101 45.314 0.113 26.855 1.00 0.00 C ATOM 1459 C ASP A 101 44.079 0.673 26.156 1.00 0.00 C ATOM 1460 O ASP A 101 42.947 0.428 26.581 1.00 0.00 O ATOM 1461 CB ASP A 101 46.217 1.261 27.319 1.00 0.00 C ATOM 1462 CG ASP A 101 45.381 2.501 27.624 1.00 0.00 C ATOM 1463 OD1 ASP A 101 45.001 3.181 26.685 1.00 0.00 O ATOM 1464 OD2 ASP A 101 45.136 2.753 28.792 1.00 0.00 O ATOM 0 H ASP A 101 47.040 -0.525 25.841 1.00 0.00 H new ATOM 0 HA ASP A 101 44.995 -0.466 27.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 46.772 0.960 28.208 1.00 0.00 H new ATOM 0 HB3 ASP A 101 46.952 1.490 26.547 1.00 0.00 H new ATOM 1469 N LEU A 102 44.300 1.411 25.072 1.00 0.00 N ATOM 1470 CA LEU A 102 43.188 1.980 24.321 1.00 0.00 C ATOM 1471 C LEU A 102 42.611 0.987 23.323 1.00 0.00 C ATOM 1472 O LEU A 102 41.457 1.110 22.957 1.00 0.00 O ATOM 1473 CB LEU A 102 43.554 3.302 23.611 1.00 0.00 C ATOM 1474 CG LEU A 102 44.635 3.115 22.532 1.00 0.00 C ATOM 1475 CD1 LEU A 102 45.719 2.172 23.024 1.00 0.00 C ATOM 1476 CD2 LEU A 102 44.013 2.543 21.254 1.00 0.00 C ATOM 0 H LEU A 102 45.225 1.626 24.699 1.00 0.00 H new ATOM 0 HA LEU A 102 42.422 2.211 25.062 1.00 0.00 H new ATOM 0 HB2 LEU A 102 42.659 3.724 23.154 1.00 0.00 H new ATOM 0 HB3 LEU A 102 43.905 4.022 24.350 1.00 0.00 H new ATOM 0 HG LEU A 102 45.075 4.089 22.319 1.00 0.00 H new ATOM 0 HD11 LEU A 102 46.475 2.051 22.249 1.00 0.00 H new ATOM 0 HD12 LEU A 102 46.181 2.585 23.920 1.00 0.00 H new ATOM 0 HD13 LEU A 102 45.279 1.202 23.257 1.00 0.00 H new ATOM 0 HD21 LEU A 102 44.788 2.415 20.498 1.00 0.00 H new ATOM 0 HD22 LEU A 102 43.556 1.578 21.472 1.00 0.00 H new ATOM 0 HD23 LEU A 102 43.252 3.229 20.881 1.00 0.00 H new ATOM 1488 N GLN A 103 43.381 -0.012 22.889 1.00 0.00 N ATOM 1489 CA GLN A 103 42.822 -0.979 21.946 1.00 0.00 C ATOM 1490 C GLN A 103 41.761 -1.793 22.649 1.00 0.00 C ATOM 1491 O GLN A 103 40.718 -2.124 22.082 1.00 0.00 O ATOM 1492 CB GLN A 103 43.912 -1.909 21.407 1.00 0.00 C ATOM 1493 CG GLN A 103 44.097 -1.684 19.903 1.00 0.00 C ATOM 1494 CD GLN A 103 45.515 -2.072 19.494 1.00 0.00 C ATOM 1495 OE1 GLN A 103 46.220 -1.276 18.871 1.00 0.00 O ATOM 1496 NE2 GLN A 103 45.978 -3.250 19.810 1.00 0.00 N ATOM 0 H GLN A 103 44.351 -0.170 23.161 1.00 0.00 H new ATOM 0 HA GLN A 103 42.387 -0.441 21.104 1.00 0.00 H new ATOM 0 HB2 GLN A 103 44.851 -1.723 21.929 1.00 0.00 H new ATOM 0 HB3 GLN A 103 43.642 -2.948 21.597 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.372 -2.277 19.345 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.910 -0.639 19.656 1.00 0.00 H new ATOM 0 HE21 GLN A 103 45.392 -3.907 20.326 1.00 0.00 H new ATOM 0 HE22 GLN A 103 46.926 -3.514 19.541 1.00 0.00 H new ATOM 1505 N ALA A 104 42.045 -2.100 23.893 1.00 0.00 N ATOM 1506 CA ALA A 104 41.139 -2.869 24.703 1.00 0.00 C ATOM 1507 C ALA A 104 40.007 -1.993 25.224 1.00 0.00 C ATOM 1508 O ALA A 104 38.836 -2.323 25.055 1.00 0.00 O ATOM 1509 CB ALA A 104 41.905 -3.502 25.863 1.00 0.00 C ATOM 0 H ALA A 104 42.905 -1.824 24.367 1.00 0.00 H new ATOM 0 HA ALA A 104 40.699 -3.657 24.093 1.00 0.00 H new ATOM 0 HB1 ALA A 104 41.219 -4.085 26.477 1.00 0.00 H new ATOM 0 HB2 ALA A 104 42.685 -4.155 25.471 1.00 0.00 H new ATOM 0 HB3 ALA A 104 42.359 -2.719 26.470 1.00 0.00 H new ATOM 1515 N ALA A 105 40.352 -0.870 25.842 1.00 0.00 N ATOM 1516 CA ALA A 105 39.324 0.029 26.347 1.00 0.00 C ATOM 1517 C ALA A 105 38.412 0.452 25.200 1.00 0.00 C ATOM 1518 O ALA A 105 37.185 0.456 25.328 1.00 0.00 O ATOM 1519 CB ALA A 105 39.965 1.264 26.986 1.00 0.00 C ATOM 0 H ALA A 105 41.312 -0.565 26.003 1.00 0.00 H new ATOM 0 HA ALA A 105 38.738 -0.490 27.105 1.00 0.00 H new ATOM 0 HB1 ALA A 105 39.185 1.927 27.359 1.00 0.00 H new ATOM 0 HB2 ALA A 105 40.605 0.955 27.813 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.563 1.790 26.242 1.00 0.00 H new ATOM 1525 N ILE A 106 39.028 0.792 24.071 1.00 0.00 N ATOM 1526 CA ILE A 106 38.283 1.205 22.889 1.00 0.00 C ATOM 1527 C ILE A 106 37.433 0.071 22.359 1.00 0.00 C ATOM 1528 O ILE A 106 36.292 0.276 21.985 1.00 0.00 O ATOM 1529 CB ILE A 106 39.226 1.626 21.785 1.00 0.00 C ATOM 1530 CG1 ILE A 106 39.982 2.890 22.201 1.00 0.00 C ATOM 1531 CG2 ILE A 106 38.420 1.902 20.516 1.00 0.00 C ATOM 1532 CD1 ILE A 106 39.141 4.123 21.864 1.00 0.00 C ATOM 0 H ILE A 106 40.041 0.789 23.951 1.00 0.00 H new ATOM 0 HA ILE A 106 37.649 2.040 23.187 1.00 0.00 H new ATOM 0 HB ILE A 106 39.945 0.829 21.597 1.00 0.00 H new ATOM 0 HG12 ILE A 106 40.196 2.864 23.270 1.00 0.00 H new ATOM 0 HG13 ILE A 106 40.941 2.939 21.685 1.00 0.00 H new ATOM 0 HG21 ILE A 106 39.094 2.206 19.716 1.00 0.00 H new ATOM 0 HG22 ILE A 106 37.889 0.998 20.219 1.00 0.00 H new ATOM 0 HG23 ILE A 106 37.701 2.699 20.707 1.00 0.00 H new ATOM 0 HD11 ILE A 106 39.680 5.023 22.160 1.00 0.00 H new ATOM 0 HD12 ILE A 106 38.950 4.151 20.791 1.00 0.00 H new ATOM 0 HD13 ILE A 106 38.193 4.074 22.400 1.00 0.00 H new ATOM 1544 N ALA A 107 38.009 -1.120 22.303 1.00 0.00 N ATOM 1545 CA ALA A 107 37.292 -2.277 21.790 1.00 0.00 C ATOM 1546 C ALA A 107 36.100 -2.616 22.683 1.00 0.00 C ATOM 1547 O ALA A 107 34.967 -2.731 22.212 1.00 0.00 O ATOM 1548 CB ALA A 107 38.245 -3.465 21.715 1.00 0.00 C ATOM 0 H ALA A 107 38.965 -1.310 22.604 1.00 0.00 H new ATOM 0 HA ALA A 107 36.914 -2.046 20.794 1.00 0.00 H new ATOM 0 HB1 ALA A 107 37.712 -4.335 21.331 1.00 0.00 H new ATOM 0 HB2 ALA A 107 39.074 -3.225 21.050 1.00 0.00 H new ATOM 0 HB3 ALA A 107 38.630 -3.686 22.710 1.00 0.00 H new ATOM 1554 N LEU A 108 36.365 -2.772 23.975 1.00 0.00 N ATOM 1555 CA LEU A 108 35.316 -3.096 24.935 1.00 0.00 C ATOM 1556 C LEU A 108 34.182 -2.079 24.860 1.00 0.00 C ATOM 1557 O LEU A 108 33.006 -2.443 24.891 1.00 0.00 O ATOM 1558 CB LEU A 108 35.896 -3.108 26.351 1.00 0.00 C ATOM 1559 CG LEU A 108 35.077 -4.049 27.236 1.00 0.00 C ATOM 1560 CD1 LEU A 108 35.749 -4.175 28.606 1.00 0.00 C ATOM 1561 CD2 LEU A 108 33.667 -3.483 27.413 1.00 0.00 C ATOM 0 H LEU A 108 37.296 -2.680 24.382 1.00 0.00 H new ATOM 0 HA LEU A 108 34.919 -4.082 24.691 1.00 0.00 H new ATOM 0 HB2 LEU A 108 36.937 -3.431 26.325 1.00 0.00 H new ATOM 0 HB3 LEU A 108 35.885 -2.101 26.767 1.00 0.00 H new ATOM 0 HG LEU A 108 35.020 -5.031 26.766 1.00 0.00 H new ATOM 0 HD11 LEU A 108 35.166 -4.846 29.237 1.00 0.00 H new ATOM 0 HD12 LEU A 108 36.755 -4.576 28.482 1.00 0.00 H new ATOM 0 HD13 LEU A 108 35.806 -3.193 29.075 1.00 0.00 H new ATOM 0 HD21 LEU A 108 33.083 -4.153 28.044 1.00 0.00 H new ATOM 0 HD22 LEU A 108 33.725 -2.501 27.883 1.00 0.00 H new ATOM 0 HD23 LEU A 108 33.187 -3.391 26.439 1.00 0.00 H new ATOM 1573 N SER A 109 34.542 -0.803 24.773 1.00 0.00 N ATOM 1574 CA SER A 109 33.543 0.260 24.710 1.00 0.00 C ATOM 1575 C SER A 109 33.054 0.482 23.284 1.00 0.00 C ATOM 1576 O SER A 109 31.991 1.062 23.066 1.00 0.00 O ATOM 1577 CB SER A 109 34.142 1.557 25.244 1.00 0.00 C ATOM 1578 OG SER A 109 33.619 1.823 26.539 1.00 0.00 O ATOM 0 H SER A 109 35.509 -0.480 24.745 1.00 0.00 H new ATOM 0 HA SER A 109 32.692 -0.042 25.321 1.00 0.00 H new ATOM 0 HB2 SER A 109 35.228 1.477 25.288 1.00 0.00 H new ATOM 0 HB3 SER A 109 33.910 2.382 24.570 1.00 0.00 H new ATOM 0 HG SER A 109 34.005 2.655 26.883 1.00 0.00 H new ATOM 1584 N LEU A 110 33.837 0.030 22.321 1.00 0.00 N ATOM 1585 CA LEU A 110 33.475 0.197 20.918 1.00 0.00 C ATOM 1586 C LEU A 110 32.501 -0.893 20.505 1.00 0.00 C ATOM 1587 O LEU A 110 31.778 -0.759 19.518 1.00 0.00 O ATOM 1588 CB LEU A 110 34.725 0.159 20.027 1.00 0.00 C ATOM 1589 CG LEU A 110 34.303 0.069 18.559 1.00 0.00 C ATOM 1590 CD1 LEU A 110 35.243 0.920 17.702 1.00 0.00 C ATOM 1591 CD2 LEU A 110 34.376 -1.389 18.097 1.00 0.00 C ATOM 0 H LEU A 110 34.722 -0.452 22.479 1.00 0.00 H new ATOM 0 HA LEU A 110 32.997 1.169 20.793 1.00 0.00 H new ATOM 0 HB2 LEU A 110 35.327 1.053 20.189 1.00 0.00 H new ATOM 0 HB3 LEU A 110 35.347 -0.697 20.291 1.00 0.00 H new ATOM 0 HG LEU A 110 33.282 0.436 18.453 1.00 0.00 H new ATOM 0 HD11 LEU A 110 34.941 0.855 16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 110 35.194 1.958 18.030 1.00 0.00 H new ATOM 0 HD13 LEU A 110 36.264 0.554 17.808 1.00 0.00 H new ATOM 0 HD21 LEU A 110 34.076 -1.455 17.051 1.00 0.00 H new ATOM 0 HD22 LEU A 110 35.397 -1.754 18.205 1.00 0.00 H new ATOM 0 HD23 LEU A 110 33.707 -1.997 18.706 1.00 0.00 H new ATOM 1603 N LEU A 111 32.472 -1.966 21.286 1.00 0.00 N ATOM 1604 CA LEU A 111 31.560 -3.070 21.007 1.00 0.00 C ATOM 1605 C LEU A 111 30.125 -2.575 21.099 1.00 0.00 C ATOM 1606 O LEU A 111 29.204 -3.169 20.540 1.00 0.00 O ATOM 1607 CB LEU A 111 31.782 -4.201 22.011 1.00 0.00 C ATOM 1608 CG LEU A 111 31.235 -5.512 21.436 1.00 0.00 C ATOM 1609 CD1 LEU A 111 32.209 -6.060 20.390 1.00 0.00 C ATOM 1610 CD2 LEU A 111 31.070 -6.537 22.562 1.00 0.00 C ATOM 0 H LEU A 111 33.062 -2.096 22.108 1.00 0.00 H new ATOM 0 HA LEU A 111 31.751 -3.448 20.003 1.00 0.00 H new ATOM 0 HB2 LEU A 111 32.845 -4.303 22.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 31.284 -3.969 22.952 1.00 0.00 H new ATOM 0 HG LEU A 111 30.268 -5.324 20.970 1.00 0.00 H new ATOM 0 HD11 LEU A 111 31.818 -6.992 19.982 1.00 0.00 H new ATOM 0 HD12 LEU A 111 32.326 -5.333 19.586 1.00 0.00 H new ATOM 0 HD13 LEU A 111 33.177 -6.245 20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 111 30.681 -7.469 22.152 1.00 0.00 H new ATOM 0 HD22 LEU A 111 32.037 -6.722 23.030 1.00 0.00 H new ATOM 0 HD23 LEU A 111 30.375 -6.150 23.307 1.00 0.00 H new ATOM 1622 N GLU A 112 29.960 -1.469 21.809 1.00 0.00 N ATOM 1623 CA GLU A 112 28.648 -0.858 21.988 1.00 0.00 C ATOM 1624 C GLU A 112 28.718 0.630 21.685 1.00 0.00 C ATOM 1625 O GLU A 112 28.011 1.142 20.816 1.00 0.00 O ATOM 1626 CB GLU A 112 28.163 -1.065 23.425 1.00 0.00 C ATOM 1627 CG GLU A 112 27.210 -2.260 23.478 1.00 0.00 C ATOM 1628 CD GLU A 112 27.232 -2.881 24.871 1.00 0.00 C ATOM 1629 OE1 GLU A 112 27.949 -2.368 25.715 1.00 0.00 O ATOM 1630 OE2 GLU A 112 26.534 -3.861 25.073 1.00 0.00 O ATOM 0 H GLU A 112 30.721 -0.973 22.273 1.00 0.00 H new ATOM 0 HA GLU A 112 27.947 -1.331 21.301 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.013 -1.236 24.085 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.657 -0.168 23.782 1.00 0.00 H new ATOM 0 HG2 GLU A 112 26.198 -1.940 23.229 1.00 0.00 H new ATOM 0 HG3 GLU A 112 27.502 -3.002 22.735 1.00 0.00 H new ATOM 1637 N SER A 113 29.587 1.310 22.410 1.00 0.00 N ATOM 1638 CA SER A 113 29.778 2.745 22.234 1.00 0.00 C ATOM 1639 C SER A 113 28.444 3.452 22.015 1.00 0.00 C ATOM 1640 O SER A 113 28.008 3.639 20.879 1.00 0.00 O ATOM 1641 CB SER A 113 30.698 3.001 21.040 1.00 0.00 C ATOM 1642 OG SER A 113 30.525 4.337 20.589 1.00 0.00 O ATOM 0 H SER A 113 30.176 0.893 23.131 1.00 0.00 H new ATOM 0 HA SER A 113 30.233 3.143 23.141 1.00 0.00 H new ATOM 0 HB2 SER A 113 31.737 2.833 21.325 1.00 0.00 H new ATOM 0 HB3 SER A 113 30.471 2.302 20.235 1.00 0.00 H new ATOM 0 HG SER A 113 29.641 4.431 20.177 1.00 0.00 H new ATOM 1648 N PRO A 114 27.798 3.847 23.080 1.00 0.00 N ATOM 1649 CA PRO A 114 26.486 4.556 23.019 1.00 0.00 C ATOM 1650 C PRO A 114 26.613 5.931 22.372 1.00 0.00 C ATOM 1651 O PRO A 114 26.319 6.107 21.190 1.00 0.00 O ATOM 1652 CB PRO A 114 26.046 4.672 24.489 1.00 0.00 C ATOM 1653 CG PRO A 114 26.959 3.777 25.268 1.00 0.00 C ATOM 1654 CD PRO A 114 28.247 3.658 24.462 1.00 0.00 C ATOM 0 HA PRO A 114 25.762 4.019 22.407 1.00 0.00 H new ATOM 0 HB2 PRO A 114 26.120 5.702 24.838 1.00 0.00 H new ATOM 0 HB3 PRO A 114 25.006 4.368 24.610 1.00 0.00 H new ATOM 0 HG2 PRO A 114 27.158 4.192 26.256 1.00 0.00 H new ATOM 0 HG3 PRO A 114 26.505 2.798 25.419 1.00 0.00 H new ATOM 0 HD2 PRO A 114 28.976 4.413 24.755 1.00 0.00 H new ATOM 0 HD3 PRO A 114 28.721 2.686 24.602 1.00 0.00 H new ATOM 1662 N LYS A 115 27.054 6.894 23.161 1.00 0.00 N ATOM 1663 CA LYS A 115 27.226 8.260 22.675 1.00 0.00 C ATOM 1664 C LYS A 115 28.706 8.628 22.619 1.00 0.00 C ATOM 1665 O LYS A 115 29.546 7.811 22.241 1.00 0.00 O ATOM 1666 CB LYS A 115 26.496 9.237 23.598 1.00 0.00 C ATOM 1667 CG LYS A 115 25.045 8.790 23.772 1.00 0.00 C ATOM 1668 CD LYS A 115 24.121 10.003 23.644 1.00 0.00 C ATOM 1669 CE LYS A 115 24.477 11.033 24.717 1.00 0.00 C ATOM 1670 NZ LYS A 115 23.297 11.902 24.986 1.00 0.00 N ATOM 0 H LYS A 115 27.301 6.760 24.142 1.00 0.00 H new ATOM 0 HA LYS A 115 26.808 8.322 21.670 1.00 0.00 H new ATOM 0 HB2 LYS A 115 26.993 9.278 24.567 1.00 0.00 H new ATOM 0 HB3 LYS A 115 26.530 10.243 23.179 1.00 0.00 H new ATOM 0 HG2 LYS A 115 24.790 8.044 23.020 1.00 0.00 H new ATOM 0 HG3 LYS A 115 24.912 8.319 24.746 1.00 0.00 H new ATOM 0 HD2 LYS A 115 24.220 10.446 22.653 1.00 0.00 H new ATOM 0 HD3 LYS A 115 23.081 9.694 23.752 1.00 0.00 H new ATOM 0 HE2 LYS A 115 24.786 10.528 25.632 1.00 0.00 H new ATOM 0 HE3 LYS A 115 25.321 11.640 24.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 23.540 12.602 25.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 23.022 12.394 24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 22.504 11.317 25.318 1.00 0.00 H new ATOM 1684 N ILE A 116 29.018 9.863 23.001 1.00 0.00 N ATOM 1685 CA ILE A 116 30.400 10.330 22.995 1.00 0.00 C ATOM 1686 C ILE A 116 30.858 10.648 24.416 1.00 0.00 C ATOM 1687 O ILE A 116 30.041 10.935 25.290 1.00 0.00 O ATOM 1688 CB ILE A 116 30.527 11.576 22.116 1.00 0.00 C ATOM 1689 CG1 ILE A 116 29.268 11.726 21.262 1.00 0.00 C ATOM 1690 CG2 ILE A 116 31.744 11.432 21.201 1.00 0.00 C ATOM 1691 CD1 ILE A 116 29.538 12.706 20.119 1.00 0.00 C ATOM 0 H ILE A 116 28.337 10.554 23.317 1.00 0.00 H new ATOM 0 HA ILE A 116 31.034 9.541 22.590 1.00 0.00 H new ATOM 0 HB ILE A 116 30.647 12.456 22.748 1.00 0.00 H new ATOM 0 HG12 ILE A 116 28.970 10.757 20.861 1.00 0.00 H new ATOM 0 HG13 ILE A 116 28.441 12.085 21.875 1.00 0.00 H new ATOM 0 HG21 ILE A 116 31.835 12.319 20.574 1.00 0.00 H new ATOM 0 HG22 ILE A 116 32.643 11.321 21.807 1.00 0.00 H new ATOM 0 HG23 ILE A 116 31.622 10.552 20.569 1.00 0.00 H new ATOM 0 HD11 ILE A 116 28.640 12.812 19.511 1.00 0.00 H new ATOM 0 HD12 ILE A 116 29.815 13.677 20.530 1.00 0.00 H new ATOM 0 HD13 ILE A 116 30.352 12.328 19.501 1.00 0.00 H new ATOM 1703 N GLN A 117 32.170 10.588 24.638 1.00 0.00 N ATOM 1704 CA GLN A 117 32.733 10.862 25.956 1.00 0.00 C ATOM 1705 C GLN A 117 31.701 10.615 27.052 1.00 0.00 C ATOM 1706 O GLN A 117 30.907 11.497 27.381 1.00 0.00 O ATOM 1707 CB GLN A 117 33.229 12.309 26.028 1.00 0.00 C ATOM 1708 CG GLN A 117 32.168 13.250 25.453 1.00 0.00 C ATOM 1709 CD GLN A 117 32.722 14.668 25.369 1.00 0.00 C ATOM 1710 OE1 GLN A 117 31.986 15.604 25.061 1.00 0.00 O ATOM 1711 NE2 GLN A 117 33.983 14.883 25.626 1.00 0.00 N ATOM 0 H GLN A 117 32.860 10.353 23.924 1.00 0.00 H new ATOM 0 HA GLN A 117 33.573 10.185 26.113 1.00 0.00 H new ATOM 0 HB2 GLN A 117 33.445 12.578 27.062 1.00 0.00 H new ATOM 0 HB3 GLN A 117 34.160 12.412 25.471 1.00 0.00 H new ATOM 0 HG2 GLN A 117 31.866 12.909 24.463 1.00 0.00 H new ATOM 0 HG3 GLN A 117 31.277 13.235 26.081 1.00 0.00 H new ATOM 0 HE21 GLN A 117 34.591 14.105 25.881 1.00 0.00 H new ATOM 0 HE22 GLN A 117 34.360 15.829 25.572 1.00 0.00 H new ATOM 1720 N ALA A 118 31.720 9.411 27.615 1.00 0.00 N ATOM 1721 CA ALA A 118 30.780 9.059 28.674 1.00 0.00 C ATOM 1722 C ALA A 118 31.526 8.559 29.909 1.00 0.00 C ATOM 1723 O ALA A 118 32.743 8.377 29.878 1.00 0.00 O ATOM 1724 CB ALA A 118 29.820 7.975 28.179 1.00 0.00 C ATOM 0 H ALA A 118 32.370 8.668 27.359 1.00 0.00 H new ATOM 0 HA ALA A 118 30.213 9.950 28.944 1.00 0.00 H new ATOM 0 HB1 ALA A 118 29.121 7.717 28.975 1.00 0.00 H new ATOM 0 HB2 ALA A 118 29.267 8.345 27.316 1.00 0.00 H new ATOM 0 HB3 ALA A 118 30.387 7.089 27.893 1.00 0.00 H new ATOM 1730 N ASP A 119 30.789 8.339 30.994 1.00 0.00 N ATOM 1731 CA ASP A 119 31.393 7.861 32.233 1.00 0.00 C ATOM 1732 C ASP A 119 30.477 6.860 32.927 1.00 0.00 C ATOM 1733 O ASP A 119 30.698 5.650 32.860 1.00 0.00 O ATOM 1734 CB ASP A 119 31.666 9.038 33.169 1.00 0.00 C ATOM 1735 CG ASP A 119 33.060 9.599 32.912 1.00 0.00 C ATOM 1736 OD1 ASP A 119 33.177 10.483 32.080 1.00 0.00 O ATOM 1737 OD2 ASP A 119 33.991 9.134 33.550 1.00 0.00 O ATOM 0 H ASP A 119 29.780 8.483 31.041 1.00 0.00 H new ATOM 0 HA ASP A 119 32.332 7.366 31.988 1.00 0.00 H new ATOM 0 HB2 ASP A 119 30.918 9.816 33.015 1.00 0.00 H new ATOM 0 HB3 ASP A 119 31.581 8.715 34.207 1.00 0.00 H new ATOM 1742 N GLY A 120 29.446 7.371 33.595 1.00 0.00 N ATOM 1743 CA GLY A 120 28.504 6.511 34.299 1.00 0.00 C ATOM 1744 C GLY A 120 27.560 5.821 33.321 1.00 0.00 C ATOM 1745 O GLY A 120 26.647 6.477 32.847 1.00 0.00 O ATOM 0 H GLY A 120 29.244 8.369 33.663 1.00 0.00 H new ATOM 0 HA2 GLY A 120 29.049 5.762 34.874 1.00 0.00 H new ATOM 0 HA3 GLY A 120 27.928 7.102 35.011 1.00 0.00 H new TER 1749 GLY A 120