USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 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 37 ASN : amide:sc= 0.0228 K(o=0.53,f=-22!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 154:sc= 0.511! (180deg=-0.555) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= 0 F(o=0.19,f=0.81) USER MOD Set 2.2: A 30 THR OG1 : rot 66:sc= 0.807 USER MOD Set 3.1: A 13 LYS NZ :NH3+ -171:sc= 0.309! (180deg=-0.1!) USER MOD Set 3.2: A 55 THR OG1 : rot -130:sc= -1.63 USER MOD Set 4.1: A 5 ASN : amide:sc= -1.3 K(o=-3.6,f=-4.3!) USER MOD Set 4.2: A 62 GLN : amide:sc= -2.31! C(o=-3.6!,f=-4.3!) USER MOD Single : A 1 MET CE :methyl -112:sc= -1.87! (180deg=-3.17!) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.93! (180deg=-4.17!) USER MOD Single : A 4 ASN : amide:sc= -2.01 K(o=-2,f=-3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= 0.777 (180deg=-1.47!) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= 0.603! (180deg=-3.14!) USER MOD Single : A 16 SER OG : rot 122:sc= 1.26 USER MOD Single : A 17 GLN : amide:sc= -9.61! C(o=-9.6!,f=-14!) USER MOD Single : A 18 SER OG : rot 165:sc= -1.92! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.21! C(o=-4.2!,f=-6.6!) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.0768 (180deg=-2.28!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.22) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 44 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.082) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 1.02 (180deg=-3.36!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.189 F(o=-0.74,f=-0.19) USER MOD Single : A 64 GLN : amide:sc= -8.25! C(o=-8.2!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.669 4.697 -11.014 1.00 0.00 N ATOM 2 CA MET A 1 0.365 5.283 -10.120 1.00 0.00 C ATOM 3 C MET A 1 0.664 4.305 -8.995 1.00 0.00 C ATOM 4 O MET A 1 1.783 4.252 -8.476 1.00 0.00 O ATOM 5 CB MET A 1 -0.157 6.593 -9.525 1.00 0.00 C ATOM 6 CG MET A 1 -1.632 6.446 -9.126 1.00 0.00 C ATOM 7 SD MET A 1 -2.679 6.709 -10.579 1.00 0.00 S ATOM 8 CE MET A 1 -3.667 5.191 -10.445 1.00 0.00 C ATOM 0 H1 MET A 1 -1.308 5.448 -11.345 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.208 4.250 -11.832 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.215 3.983 -10.491 1.00 0.00 H new ATOM 0 HA MET A 1 1.273 5.479 -10.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.437 6.867 -8.653 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.048 7.399 -10.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.810 5.454 -8.711 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.883 7.167 -8.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.427 4.526 -11.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.441 4.692 -9.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.727 5.443 -10.477 1.00 0.00 H new ATOM 18 N ILE A 2 -0.353 3.559 -8.600 1.00 0.00 N ATOM 19 CA ILE A 2 -0.247 2.613 -7.510 1.00 0.00 C ATOM 20 C ILE A 2 -0.346 1.202 -8.040 1.00 0.00 C ATOM 21 O ILE A 2 -1.157 0.919 -8.932 1.00 0.00 O ATOM 22 CB ILE A 2 -1.340 2.851 -6.456 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.273 4.302 -5.942 1.00 0.00 C ATOM 24 CG2 ILE A 2 -1.141 1.877 -5.276 1.00 0.00 C ATOM 25 CD1 ILE A 2 0.096 4.583 -5.314 1.00 0.00 C ATOM 0 H ILE A 2 -1.277 3.595 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 2 0.722 2.756 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.315 2.679 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.452 4.995 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.059 4.471 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.917 2.047 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.203 0.850 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.162 2.045 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.128 5.612 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.260 3.903 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.876 4.435 -6.061 1.00 0.00 H new ATOM 37 N ILE A 3 0.476 0.327 -7.518 1.00 0.00 N ATOM 38 CA ILE A 3 0.453 -1.053 -7.940 1.00 0.00 C ATOM 39 C ILE A 3 -0.569 -1.784 -7.088 1.00 0.00 C ATOM 40 O ILE A 3 -0.492 -1.772 -5.863 1.00 0.00 O ATOM 41 CB ILE A 3 1.836 -1.698 -7.743 1.00 0.00 C ATOM 42 CG1 ILE A 3 2.931 -0.722 -8.182 1.00 0.00 C ATOM 43 CG2 ILE A 3 1.939 -2.974 -8.588 1.00 0.00 C ATOM 44 CD1 ILE A 3 2.763 -0.328 -9.638 1.00 0.00 C ATOM 0 H ILE A 3 1.169 0.544 -6.801 1.00 0.00 H new ATOM 0 HA ILE A 3 0.193 -1.113 -8.997 1.00 0.00 H new ATOM 0 HB ILE A 3 1.963 -1.943 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.900 0.169 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.910 -1.180 -8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.920 -3.427 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.166 -3.678 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.804 -2.725 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.555 0.366 -9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.819 -1.218 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.794 0.152 -9.776 1.00 0.00 H new ATOM 56 N ASN A 4 -1.532 -2.386 -7.737 1.00 0.00 N ATOM 57 CA ASN A 4 -2.586 -3.099 -7.043 1.00 0.00 C ATOM 58 C ASN A 4 -2.199 -4.557 -6.904 1.00 0.00 C ATOM 59 O ASN A 4 -3.052 -5.434 -6.801 1.00 0.00 O ATOM 60 CB ASN A 4 -3.916 -2.961 -7.801 1.00 0.00 C ATOM 61 CG ASN A 4 -4.381 -1.501 -7.808 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.360 -0.851 -8.850 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.819 -0.955 -6.720 1.00 0.00 N ATOM 0 H ASN A 4 -1.613 -2.399 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.718 -2.669 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.796 -3.316 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.675 -3.588 -7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.145 0.011 -6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.838 -1.491 -5.852 1.00 0.00 H new ATOM 70 N ASN A 5 -0.900 -4.824 -6.970 1.00 0.00 N ATOM 71 CA ASN A 5 -0.396 -6.199 -6.952 1.00 0.00 C ATOM 72 C ASN A 5 -0.397 -6.797 -5.552 1.00 0.00 C ATOM 73 O ASN A 5 0.231 -7.826 -5.314 1.00 0.00 O ATOM 74 CB ASN A 5 1.006 -6.308 -7.585 1.00 0.00 C ATOM 75 CG ASN A 5 2.039 -5.559 -6.736 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.681 -4.689 -5.949 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.301 -5.842 -6.854 1.00 0.00 N ATOM 0 H ASN A 5 -0.175 -4.110 -7.036 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.088 -6.781 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.291 -7.356 -7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.989 -5.896 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.991 -5.341 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.603 -6.565 -7.507 1.00 0.00 H new ATOM 84 N LEU A 6 -1.255 -6.274 -4.695 1.00 0.00 N ATOM 85 CA LEU A 6 -1.452 -6.866 -3.376 1.00 0.00 C ATOM 86 C LEU A 6 -1.942 -8.293 -3.574 1.00 0.00 C ATOM 87 O LEU A 6 -1.441 -9.242 -2.959 1.00 0.00 O ATOM 88 CB LEU A 6 -2.493 -6.044 -2.587 1.00 0.00 C ATOM 89 CG LEU A 6 -2.754 -6.647 -1.187 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.730 -7.828 -1.284 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.442 -7.110 -0.538 1.00 0.00 C ATOM 0 H LEU A 6 -1.824 -5.448 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.520 -6.867 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.142 -5.017 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.427 -6.006 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.196 -5.870 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.902 -8.240 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.676 -7.485 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.306 -8.599 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.651 -7.530 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.974 -7.869 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.768 -6.260 -0.433 1.00 0.00 H new ATOM 103 N LYS A 7 -2.830 -8.442 -4.538 1.00 0.00 N ATOM 104 CA LYS A 7 -3.331 -9.743 -4.942 1.00 0.00 C ATOM 105 C LYS A 7 -2.189 -10.680 -5.263 1.00 0.00 C ATOM 106 O LYS A 7 -2.225 -11.842 -4.886 1.00 0.00 O ATOM 107 CB LYS A 7 -4.220 -9.594 -6.178 1.00 0.00 C ATOM 108 CG LYS A 7 -3.517 -8.687 -7.189 1.00 0.00 C ATOM 109 CD LYS A 7 -4.481 -8.320 -8.312 1.00 0.00 C ATOM 110 CE LYS A 7 -3.885 -7.160 -9.113 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.455 -7.135 -10.478 1.00 0.00 N ATOM 0 H LYS A 7 -3.226 -7.663 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.909 -10.159 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.416 -10.570 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.185 -9.171 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.160 -7.784 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.643 -9.193 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.650 -9.180 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.450 -8.036 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.091 -6.216 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.801 -7.264 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.043 -6.343 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.237 -8.030 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.486 -7.014 -10.421 1.00 0.00 H new ATOM 125 N LEU A 8 -1.178 -10.175 -5.959 1.00 0.00 N ATOM 126 CA LEU A 8 -0.041 -11.005 -6.308 1.00 0.00 C ATOM 127 C LEU A 8 0.650 -11.466 -5.044 1.00 0.00 C ATOM 128 O LEU A 8 0.997 -12.631 -4.903 1.00 0.00 O ATOM 129 CB LEU A 8 0.955 -10.264 -7.219 1.00 0.00 C ATOM 130 CG LEU A 8 0.487 -10.278 -8.702 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.050 -11.655 -9.104 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.586 -9.215 -8.941 1.00 0.00 C ATOM 0 H LEU A 8 -1.125 -9.211 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.409 -11.866 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.063 -9.234 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.937 -10.730 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 8 1.356 -10.053 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.369 -11.631 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.735 -12.401 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.899 -11.914 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.899 -9.242 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.444 -9.414 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.180 -8.230 -8.709 1.00 0.00 H new ATOM 144 N ILE A 9 0.794 -10.563 -4.096 1.00 0.00 N ATOM 145 CA ILE A 9 1.400 -10.933 -2.837 1.00 0.00 C ATOM 146 C ILE A 9 0.490 -11.939 -2.144 1.00 0.00 C ATOM 147 O ILE A 9 0.938 -12.977 -1.637 1.00 0.00 O ATOM 148 CB ILE A 9 1.585 -9.701 -1.933 1.00 0.00 C ATOM 149 CG1 ILE A 9 2.330 -8.567 -2.680 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.417 -10.107 -0.724 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.202 -9.116 -3.802 1.00 0.00 C ATOM 0 H ILE A 9 0.506 -9.587 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 9 2.382 -11.367 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 9 0.602 -9.338 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.606 -7.864 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.949 -8.011 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.557 -9.244 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.901 -10.896 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.389 -10.472 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.710 -8.293 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.943 -9.799 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.579 -9.650 -4.519 1.00 0.00 H new ATOM 163 N ARG A 10 -0.792 -11.642 -2.167 1.00 0.00 N ATOM 164 CA ARG A 10 -1.792 -12.513 -1.596 1.00 0.00 C ATOM 165 C ARG A 10 -1.785 -13.862 -2.306 1.00 0.00 C ATOM 166 O ARG A 10 -1.739 -14.916 -1.659 1.00 0.00 O ATOM 167 CB ARG A 10 -3.166 -11.830 -1.726 1.00 0.00 C ATOM 168 CG ARG A 10 -4.301 -12.859 -1.868 1.00 0.00 C ATOM 169 CD ARG A 10 -4.930 -12.700 -3.261 1.00 0.00 C ATOM 170 NE ARG A 10 -6.170 -13.455 -3.386 1.00 0.00 N ATOM 171 CZ ARG A 10 -7.269 -12.930 -3.950 1.00 0.00 C ATOM 172 NH1 ARG A 10 -7.306 -11.661 -4.274 1.00 0.00 N ATOM 173 NH2 ARG A 10 -8.320 -13.676 -4.136 1.00 0.00 N ATOM 0 H ARG A 10 -1.168 -10.790 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.575 -12.693 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.347 -11.207 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.163 -11.169 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.914 -13.870 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.052 -12.704 -1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.126 -11.645 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.223 -13.035 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.204 -14.412 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.497 -11.066 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.144 -11.268 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.306 -14.656 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.157 -13.280 -4.564 1.00 0.00 H new ATOM 187 N GLU A 11 -1.816 -13.828 -3.636 1.00 0.00 N ATOM 188 CA GLU A 11 -1.821 -15.047 -4.417 1.00 0.00 C ATOM 189 C GLU A 11 -0.493 -15.759 -4.308 1.00 0.00 C ATOM 190 O GLU A 11 -0.433 -16.988 -4.347 1.00 0.00 O ATOM 191 CB GLU A 11 -2.238 -14.810 -5.888 1.00 0.00 C ATOM 192 CG GLU A 11 -1.079 -14.229 -6.718 1.00 0.00 C ATOM 193 CD GLU A 11 -0.468 -15.284 -7.630 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.448 -16.435 -7.257 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.017 -14.925 -8.693 1.00 0.00 O ATOM 0 H GLU A 11 -1.838 -12.970 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.585 -15.700 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.567 -15.751 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.088 -14.128 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.441 -13.393 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.313 -13.835 -6.050 1.00 0.00 H new ATOM 202 N LYS A 12 0.569 -14.991 -4.093 1.00 0.00 N ATOM 203 CA LYS A 12 1.892 -15.556 -3.960 1.00 0.00 C ATOM 204 C LYS A 12 1.879 -16.621 -2.889 1.00 0.00 C ATOM 205 O LYS A 12 2.375 -17.726 -3.102 1.00 0.00 O ATOM 206 CB LYS A 12 2.875 -14.457 -3.550 1.00 0.00 C ATOM 207 CG LYS A 12 4.295 -15.020 -3.460 1.00 0.00 C ATOM 208 CD LYS A 12 5.231 -13.937 -2.916 1.00 0.00 C ATOM 209 CE LYS A 12 5.598 -12.926 -4.020 1.00 0.00 C ATOM 210 NZ LYS A 12 6.790 -12.142 -3.606 1.00 0.00 N ATOM 0 H LYS A 12 0.532 -13.975 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 12 2.196 -15.991 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.844 -13.644 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.581 -14.038 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.312 -15.894 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.632 -15.349 -4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.751 -13.418 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.137 -14.397 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.802 -13.451 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.758 -12.257 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.625 -11.133 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.960 -12.280 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.621 -12.463 -4.143 1.00 0.00 H new ATOM 224 N LYS A 13 1.265 -16.318 -1.759 1.00 0.00 N ATOM 225 CA LYS A 13 1.169 -17.305 -0.700 1.00 0.00 C ATOM 226 C LYS A 13 -0.150 -18.044 -0.827 1.00 0.00 C ATOM 227 O LYS A 13 -0.481 -18.888 0.011 1.00 0.00 O ATOM 228 CB LYS A 13 1.196 -16.639 0.674 1.00 0.00 C ATOM 229 CG LYS A 13 2.273 -15.563 0.709 1.00 0.00 C ATOM 230 CD LYS A 13 2.614 -15.192 2.156 1.00 0.00 C ATOM 231 CE LYS A 13 3.783 -14.195 2.151 1.00 0.00 C ATOM 232 NZ LYS A 13 4.198 -13.883 3.537 1.00 0.00 N ATOM 0 H LYS A 13 0.834 -15.417 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 13 2.017 -17.984 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.223 -16.199 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.390 -17.385 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.168 -15.919 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.930 -14.679 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.746 -14.753 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.882 -16.085 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.624 -14.613 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.487 -13.280 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.881 -13.099 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.365 -13.609 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.641 -14.722 3.964 1.00 0.00 H new ATOM 246 N LYS A 14 -0.989 -17.568 -1.741 1.00 0.00 N ATOM 247 CA LYS A 14 -2.371 -18.001 -1.816 1.00 0.00 C ATOM 248 C LYS A 14 -3.060 -17.708 -0.489 1.00 0.00 C ATOM 249 O LYS A 14 -3.762 -18.550 0.075 1.00 0.00 O ATOM 250 CB LYS A 14 -2.477 -19.480 -2.203 1.00 0.00 C ATOM 251 CG LYS A 14 -1.879 -19.681 -3.602 1.00 0.00 C ATOM 252 CD LYS A 14 -2.716 -18.920 -4.644 1.00 0.00 C ATOM 253 CE LYS A 14 -2.121 -19.154 -6.028 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.788 -18.504 -6.107 1.00 0.00 N ATOM 0 H LYS A 14 -0.728 -16.876 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.878 -17.444 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.948 -20.097 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.520 -19.797 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.849 -19.326 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.855 -20.743 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.751 -19.261 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.725 -17.855 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.029 -20.223 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.782 -18.748 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.788 -17.805 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.580 -18.028 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.061 -19.224 -6.294 1.00 0.00 H new ATOM 268 N ILE A 15 -2.829 -16.497 -0.003 1.00 0.00 N ATOM 269 CA ILE A 15 -3.395 -16.009 1.247 1.00 0.00 C ATOM 270 C ILE A 15 -4.839 -15.551 1.023 1.00 0.00 C ATOM 271 O ILE A 15 -5.125 -14.854 0.053 1.00 0.00 O ATOM 272 CB ILE A 15 -2.533 -14.835 1.791 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.289 -15.313 2.587 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.356 -13.902 2.661 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.291 -16.829 2.819 1.00 0.00 C ATOM 0 H ILE A 15 -2.234 -15.815 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.395 -16.815 1.981 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.180 -14.298 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.385 -15.032 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.258 -14.801 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.724 -13.092 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.176 -13.487 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.760 -14.456 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.400 -17.112 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.180 -17.109 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.294 -17.344 1.858 1.00 0.00 H new ATOM 287 N SER A 16 -5.744 -15.955 1.901 1.00 0.00 N ATOM 288 CA SER A 16 -7.148 -15.567 1.772 1.00 0.00 C ATOM 289 C SER A 16 -7.320 -14.083 2.134 1.00 0.00 C ATOM 290 O SER A 16 -6.703 -13.598 3.085 1.00 0.00 O ATOM 291 CB SER A 16 -8.003 -16.423 2.702 1.00 0.00 C ATOM 292 OG SER A 16 -7.497 -17.758 2.706 1.00 0.00 O ATOM 0 H SER A 16 -5.538 -16.547 2.706 1.00 0.00 H new ATOM 0 HA SER A 16 -7.466 -15.721 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.987 -16.012 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.041 -16.416 2.371 1.00 0.00 H new ATOM 0 HG SER A 16 -7.262 -18.016 3.622 1.00 0.00 H new ATOM 298 N GLN A 17 -8.184 -13.377 1.420 1.00 0.00 N ATOM 299 CA GLN A 17 -8.414 -11.971 1.733 1.00 0.00 C ATOM 300 C GLN A 17 -9.096 -11.842 3.087 1.00 0.00 C ATOM 301 O GLN A 17 -8.771 -10.957 3.878 1.00 0.00 O ATOM 302 CB GLN A 17 -9.269 -11.264 0.651 1.00 0.00 C ATOM 303 CG GLN A 17 -9.159 -11.967 -0.711 1.00 0.00 C ATOM 304 CD GLN A 17 -7.709 -12.173 -1.086 1.00 0.00 C ATOM 305 OE1 GLN A 17 -7.203 -13.290 -0.985 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.006 -11.168 -1.508 1.00 0.00 N ATOM 0 H GLN A 17 -8.727 -13.742 0.637 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.440 -11.482 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.312 -11.245 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.946 -10.228 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.671 -12.929 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.657 -11.371 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.433 -10.245 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.026 -11.301 -1.759 1.00 0.00 H new ATOM 315 N SER A 18 -10.084 -12.697 3.321 1.00 0.00 N ATOM 316 CA SER A 18 -10.872 -12.629 4.542 1.00 0.00 C ATOM 317 C SER A 18 -9.995 -12.819 5.778 1.00 0.00 C ATOM 318 O SER A 18 -10.076 -12.038 6.732 1.00 0.00 O ATOM 319 CB SER A 18 -11.982 -13.686 4.512 1.00 0.00 C ATOM 320 OG SER A 18 -12.751 -13.533 3.312 1.00 0.00 O ATOM 0 H SER A 18 -10.357 -13.444 2.682 1.00 0.00 H new ATOM 0 HA SER A 18 -11.323 -11.638 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.549 -14.685 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.625 -13.579 5.386 1.00 0.00 H new ATOM 0 HG SER A 18 -13.295 -14.335 3.168 1.00 0.00 H new ATOM 326 N GLU A 19 -9.112 -13.814 5.734 1.00 0.00 N ATOM 327 CA GLU A 19 -8.209 -14.052 6.849 1.00 0.00 C ATOM 328 C GLU A 19 -7.203 -12.923 6.950 1.00 0.00 C ATOM 329 O GLU A 19 -6.922 -12.415 8.034 1.00 0.00 O ATOM 330 CB GLU A 19 -7.503 -15.420 6.718 1.00 0.00 C ATOM 331 CG GLU A 19 -6.335 -15.351 5.712 1.00 0.00 C ATOM 332 CD GLU A 19 -5.708 -16.723 5.536 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.352 -17.574 4.950 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.593 -16.911 5.988 1.00 0.00 O ATOM 0 H GLU A 19 -9.005 -14.458 4.950 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.794 -14.079 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.129 -15.734 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.221 -16.173 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.695 -14.982 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.584 -14.643 6.064 1.00 0.00 H new ATOM 341 N LEU A 20 -6.707 -12.505 5.796 1.00 0.00 N ATOM 342 CA LEU A 20 -5.744 -11.421 5.707 1.00 0.00 C ATOM 343 C LEU A 20 -6.343 -10.135 6.256 1.00 0.00 C ATOM 344 O LEU A 20 -5.745 -9.470 7.097 1.00 0.00 O ATOM 345 CB LEU A 20 -5.332 -11.245 4.228 1.00 0.00 C ATOM 346 CG LEU A 20 -4.444 -10.007 4.046 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.422 -10.273 2.936 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.321 -8.817 3.641 1.00 0.00 C ATOM 0 H LEU A 20 -6.962 -12.909 4.895 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.863 -11.659 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.798 -12.132 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.223 -11.152 3.608 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.925 -9.788 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.790 -9.395 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.803 -11.128 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.945 -10.486 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.697 -7.933 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.831 -9.043 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.059 -8.627 4.420 1.00 0.00 H new ATOM 360 N ALA A 21 -7.560 -9.846 5.853 1.00 0.00 N ATOM 361 CA ALA A 21 -8.261 -8.661 6.328 1.00 0.00 C ATOM 362 C ALA A 21 -8.415 -8.694 7.841 1.00 0.00 C ATOM 363 O ALA A 21 -8.285 -7.659 8.516 1.00 0.00 O ATOM 364 CB ALA A 21 -9.643 -8.557 5.672 1.00 0.00 C ATOM 0 H ALA A 21 -8.092 -10.415 5.194 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.668 -7.788 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.153 -7.666 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.528 -8.491 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.231 -9.440 5.921 1.00 0.00 H new ATOM 370 N ALA A 22 -8.656 -9.884 8.376 1.00 0.00 N ATOM 371 CA ALA A 22 -8.813 -10.048 9.811 1.00 0.00 C ATOM 372 C ALA A 22 -7.534 -9.666 10.509 1.00 0.00 C ATOM 373 O ALA A 22 -7.550 -9.054 11.582 1.00 0.00 O ATOM 374 CB ALA A 22 -9.163 -11.503 10.144 1.00 0.00 C ATOM 0 H ALA A 22 -8.746 -10.746 7.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.622 -9.402 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.278 -11.612 11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.096 -11.775 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.364 -12.158 9.796 1.00 0.00 H new ATOM 380 N LEU A 23 -6.424 -10.044 9.910 1.00 0.00 N ATOM 381 CA LEU A 23 -5.129 -9.764 10.485 1.00 0.00 C ATOM 382 C LEU A 23 -4.910 -8.263 10.550 1.00 0.00 C ATOM 383 O LEU A 23 -4.332 -7.745 11.508 1.00 0.00 O ATOM 384 CB LEU A 23 -4.019 -10.401 9.645 1.00 0.00 C ATOM 385 CG LEU A 23 -4.189 -11.926 9.613 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.014 -12.579 8.893 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.331 -12.490 11.023 1.00 0.00 C ATOM 0 H LEU A 23 -6.395 -10.547 9.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.099 -10.185 11.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.047 -10.003 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.045 -10.145 10.062 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.103 -12.153 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.151 -13.660 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.962 -12.207 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.088 -12.337 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.450 -13.572 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.439 -12.250 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.205 -12.051 11.504 1.00 0.00 H new ATOM 399 N LEU A 24 -5.325 -7.577 9.493 1.00 0.00 N ATOM 400 CA LEU A 24 -5.109 -6.136 9.378 1.00 0.00 C ATOM 401 C LEU A 24 -6.028 -5.372 10.323 1.00 0.00 C ATOM 402 O LEU A 24 -5.758 -4.206 10.661 1.00 0.00 O ATOM 403 CB LEU A 24 -5.393 -5.670 7.950 1.00 0.00 C ATOM 404 CG LEU A 24 -4.601 -6.505 6.944 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.879 -6.010 5.532 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.106 -6.452 7.236 1.00 0.00 C ATOM 0 H LEU A 24 -5.814 -7.994 8.701 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.070 -5.937 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.459 -5.753 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.128 -4.618 7.846 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.922 -7.543 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.312 -6.608 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.944 -6.102 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.580 -4.965 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.571 -7.056 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.760 -5.420 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.917 -6.842 8.236 1.00 0.00 H new ATOM 418 N GLU A 25 -7.157 -5.998 10.654 1.00 0.00 N ATOM 419 CA GLU A 25 -8.210 -5.381 11.464 1.00 0.00 C ATOM 420 C GLU A 25 -9.079 -4.461 10.605 1.00 0.00 C ATOM 421 O GLU A 25 -9.689 -3.511 11.113 1.00 0.00 O ATOM 422 CB GLU A 25 -7.625 -4.588 12.645 1.00 0.00 C ATOM 423 CG GLU A 25 -6.893 -5.537 13.598 1.00 0.00 C ATOM 424 CD GLU A 25 -6.264 -4.749 14.723 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.594 -3.774 14.440 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.444 -5.126 15.850 1.00 0.00 O ATOM 0 H GLU A 25 -7.369 -6.953 10.367 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.825 -6.187 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.938 -3.826 12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.423 -4.069 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.591 -6.271 14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.126 -6.091 13.056 1.00 0.00 H new ATOM 433 N VAL A 26 -9.151 -4.746 9.309 1.00 0.00 N ATOM 434 CA VAL A 26 -9.949 -3.934 8.393 1.00 0.00 C ATOM 435 C VAL A 26 -10.852 -4.805 7.539 1.00 0.00 C ATOM 436 O VAL A 26 -10.646 -6.013 7.431 1.00 0.00 O ATOM 437 CB VAL A 26 -9.044 -3.076 7.500 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.247 -2.099 8.368 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.076 -3.974 6.716 1.00 0.00 C ATOM 0 H VAL A 26 -8.669 -5.530 8.869 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.576 -3.274 8.993 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.662 -2.519 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.604 -1.489 7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.935 -1.453 8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.634 -2.657 9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.437 -3.356 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.459 -4.540 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.644 -4.664 6.092 1.00 0.00 H new ATOM 449 N SER A 27 -11.868 -4.197 6.958 1.00 0.00 N ATOM 450 CA SER A 27 -12.818 -4.927 6.151 1.00 0.00 C ATOM 451 C SER A 27 -12.155 -5.480 4.894 1.00 0.00 C ATOM 452 O SER A 27 -11.351 -4.795 4.242 1.00 0.00 O ATOM 453 CB SER A 27 -13.996 -4.019 5.792 1.00 0.00 C ATOM 454 OG SER A 27 -14.430 -3.336 6.968 1.00 0.00 O ATOM 0 H SER A 27 -12.054 -3.197 7.032 1.00 0.00 H new ATOM 0 HA SER A 27 -13.189 -5.775 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.699 -3.301 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.813 -4.609 5.376 1.00 0.00 H new ATOM 0 HG SER A 27 -15.184 -2.750 6.747 1.00 0.00 H new ATOM 460 N ARG A 28 -12.524 -6.697 4.538 1.00 0.00 N ATOM 461 CA ARG A 28 -11.991 -7.369 3.357 1.00 0.00 C ATOM 462 C ARG A 28 -12.322 -6.570 2.107 1.00 0.00 C ATOM 463 O ARG A 28 -11.477 -6.400 1.224 1.00 0.00 O ATOM 464 CB ARG A 28 -12.604 -8.763 3.254 1.00 0.00 C ATOM 465 CG ARG A 28 -12.014 -9.542 2.080 1.00 0.00 C ATOM 466 CD ARG A 28 -12.745 -10.885 1.995 1.00 0.00 C ATOM 467 NE ARG A 28 -14.157 -10.653 1.677 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.133 -11.452 2.123 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.848 -12.495 2.857 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.374 -11.179 1.830 1.00 0.00 N ATOM 0 H ARG A 28 -13.203 -7.252 5.058 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.908 -7.449 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.429 -9.309 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.684 -8.680 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.133 -8.983 1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.945 -9.697 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.287 -11.513 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.657 -11.420 2.941 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.404 -9.853 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.878 -12.703 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.596 -13.101 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.596 -10.360 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.123 -11.784 2.167 1.00 0.00 H new ATOM 484 N GLN A 29 -13.552 -6.076 2.046 1.00 0.00 N ATOM 485 CA GLN A 29 -14.013 -5.297 0.901 1.00 0.00 C ATOM 486 C GLN A 29 -12.993 -4.223 0.555 1.00 0.00 C ATOM 487 O GLN A 29 -12.625 -4.050 -0.604 1.00 0.00 O ATOM 488 CB GLN A 29 -15.372 -4.634 1.209 1.00 0.00 C ATOM 489 CG GLN A 29 -15.484 -4.299 2.713 1.00 0.00 C ATOM 490 CD GLN A 29 -15.872 -2.837 2.898 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.955 -1.926 2.863 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 -17.049 -2.520 3.073 1.00 0.00 N flip ATOM 0 H GLN A 29 -14.251 -6.201 2.778 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.132 -5.972 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.481 -3.724 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.183 -5.302 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.228 -4.943 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.534 -4.496 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.772 -3.239 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.301 -1.539 3.190 1.00 0.00 H new ATOM 501 N THR A 30 -12.495 -3.546 1.571 1.00 0.00 N ATOM 502 CA THR A 30 -11.491 -2.529 1.360 1.00 0.00 C ATOM 503 C THR A 30 -10.212 -3.141 0.775 1.00 0.00 C ATOM 504 O THR A 30 -9.695 -2.678 -0.242 1.00 0.00 O ATOM 505 CB THR A 30 -11.201 -1.803 2.685 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.857 -2.497 3.757 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.726 -0.364 2.621 1.00 0.00 C ATOM 0 H THR A 30 -12.769 -3.682 2.544 1.00 0.00 H new ATOM 0 HA THR A 30 -11.868 -1.803 0.640 1.00 0.00 H new ATOM 0 HB THR A 30 -10.125 -1.785 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.458 -3.386 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.516 0.142 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.234 0.167 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.802 -0.377 2.448 1.00 0.00 H new ATOM 515 N ILE A 31 -9.728 -4.214 1.394 1.00 0.00 N ATOM 516 CA ILE A 31 -8.513 -4.866 0.921 1.00 0.00 C ATOM 517 C ILE A 31 -8.688 -5.460 -0.467 1.00 0.00 C ATOM 518 O ILE A 31 -7.827 -5.289 -1.336 1.00 0.00 O ATOM 519 CB ILE A 31 -8.032 -5.941 1.914 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.580 -5.279 3.221 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.863 -6.729 1.316 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.447 -4.284 2.937 1.00 0.00 C ATOM 0 H ILE A 31 -10.153 -4.646 2.215 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.747 -4.094 0.854 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.858 -6.622 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.420 -4.764 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.241 -6.039 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.532 -7.486 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.185 -7.214 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.039 -6.049 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.130 -3.817 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.604 -4.811 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.801 -3.516 2.249 1.00 0.00 H new ATOM 534 N ASN A 32 -9.803 -6.132 -0.695 1.00 0.00 N ATOM 535 CA ASN A 32 -10.023 -6.743 -1.998 1.00 0.00 C ATOM 536 C ASN A 32 -10.305 -5.692 -3.048 1.00 0.00 C ATOM 537 O ASN A 32 -10.280 -5.975 -4.241 1.00 0.00 O ATOM 538 CB ASN A 32 -11.112 -7.829 -1.959 1.00 0.00 C ATOM 539 CG ASN A 32 -12.504 -7.242 -1.759 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.851 -6.221 -2.349 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.330 -7.838 -0.956 1.00 0.00 N ATOM 0 H ASN A 32 -10.553 -6.268 -0.017 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.100 -7.251 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.089 -8.397 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.896 -8.529 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.267 -7.459 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.043 -8.685 -0.466 1.00 0.00 H new ATOM 548 N GLY A 33 -10.476 -4.460 -2.611 1.00 0.00 N ATOM 549 CA GLY A 33 -10.593 -3.339 -3.529 1.00 0.00 C ATOM 550 C GLY A 33 -9.214 -2.884 -3.967 1.00 0.00 C ATOM 551 O GLY A 33 -9.001 -2.476 -5.122 1.00 0.00 O ATOM 0 H GLY A 33 -10.537 -4.207 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.183 -3.630 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.121 -2.516 -3.047 1.00 0.00 H new ATOM 555 N ILE A 34 -8.284 -2.898 -3.024 1.00 0.00 N ATOM 556 CA ILE A 34 -6.942 -2.400 -3.266 1.00 0.00 C ATOM 557 C ILE A 34 -6.253 -3.224 -4.346 1.00 0.00 C ATOM 558 O ILE A 34 -5.657 -2.672 -5.263 1.00 0.00 O ATOM 559 CB ILE A 34 -6.130 -2.402 -1.957 1.00 0.00 C ATOM 560 CG1 ILE A 34 -6.735 -1.370 -0.999 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.670 -2.010 -2.233 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.101 -1.508 0.387 1.00 0.00 C ATOM 0 H ILE A 34 -8.437 -3.251 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.006 -1.372 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.160 -3.401 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.571 -0.364 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.813 -1.513 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.109 -2.016 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.227 -2.724 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.638 -1.012 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.537 -0.771 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.288 -2.510 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.026 -1.342 0.314 1.00 0.00 H new ATOM 574 N GLU A 35 -6.387 -4.539 -4.276 1.00 0.00 N ATOM 575 CA GLU A 35 -5.829 -5.387 -5.311 1.00 0.00 C ATOM 576 C GLU A 35 -6.586 -5.170 -6.617 1.00 0.00 C ATOM 577 O GLU A 35 -6.019 -5.267 -7.705 1.00 0.00 O ATOM 578 CB GLU A 35 -5.842 -6.865 -4.893 1.00 0.00 C ATOM 579 CG GLU A 35 -7.275 -7.419 -4.943 1.00 0.00 C ATOM 580 CD GLU A 35 -7.374 -8.807 -4.300 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.349 -9.380 -3.960 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.484 -9.288 -4.165 1.00 0.00 O ATOM 0 H GLU A 35 -6.869 -5.034 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.785 -5.111 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.198 -7.443 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.439 -6.969 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.948 -6.732 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.607 -7.475 -5.980 1.00 0.00 H new ATOM 589 N LYS A 36 -7.878 -4.888 -6.502 1.00 0.00 N ATOM 590 CA LYS A 36 -8.703 -4.624 -7.674 1.00 0.00 C ATOM 591 C LYS A 36 -8.266 -3.345 -8.370 1.00 0.00 C ATOM 592 O LYS A 36 -8.142 -3.307 -9.600 1.00 0.00 O ATOM 593 CB LYS A 36 -10.181 -4.505 -7.278 1.00 0.00 C ATOM 594 CG LYS A 36 -10.913 -5.815 -7.583 1.00 0.00 C ATOM 595 CD LYS A 36 -10.157 -6.996 -6.954 1.00 0.00 C ATOM 596 CE LYS A 36 -11.153 -7.953 -6.306 1.00 0.00 C ATOM 597 NZ LYS A 36 -12.014 -7.191 -5.368 1.00 0.00 N ATOM 0 H LYS A 36 -8.375 -4.836 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.579 -5.462 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.264 -4.271 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.647 -3.684 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.930 -5.773 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.992 -5.955 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.578 -7.518 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.449 -6.633 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.763 -8.436 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.624 -8.744 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.369 -7.828 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.460 -6.426 -4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.818 -6.783 -5.887 1.00 0.00 H new ATOM 611 N ASN A 37 -8.077 -2.286 -7.585 1.00 0.00 N ATOM 612 CA ASN A 37 -7.722 -0.980 -8.150 1.00 0.00 C ATOM 613 C ASN A 37 -7.592 0.090 -7.076 1.00 0.00 C ATOM 614 O ASN A 37 -7.178 1.207 -7.372 1.00 0.00 O ATOM 615 CB ASN A 37 -8.809 -0.523 -9.137 1.00 0.00 C ATOM 616 CG ASN A 37 -10.115 -0.272 -8.380 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.250 0.740 -7.676 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.075 -1.135 -8.457 1.00 0.00 N ATOM 0 H ASN A 37 -8.162 -2.302 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.761 -1.102 -8.650 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.492 0.386 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.961 -1.283 -9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.941 -0.982 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.967 -1.968 -9.035 1.00 0.00 H new ATOM 625 N LYS A 38 -8.144 -0.171 -5.903 1.00 0.00 N ATOM 626 CA LYS A 38 -8.286 0.878 -4.894 1.00 0.00 C ATOM 627 C LYS A 38 -6.978 1.546 -4.504 1.00 0.00 C ATOM 628 O LYS A 38 -5.885 1.144 -4.916 1.00 0.00 O ATOM 629 CB LYS A 38 -9.042 0.393 -3.647 1.00 0.00 C ATOM 630 CG LYS A 38 -10.379 1.134 -3.533 1.00 0.00 C ATOM 631 CD LYS A 38 -11.296 0.711 -4.686 1.00 0.00 C ATOM 632 CE LYS A 38 -12.010 1.942 -5.270 1.00 0.00 C ATOM 633 NZ LYS A 38 -11.193 2.518 -6.378 1.00 0.00 N ATOM 0 H LYS A 38 -8.498 -1.086 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.888 1.644 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.215 -0.681 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.441 0.568 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.852 0.909 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.214 2.211 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.713 0.216 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.031 -0.011 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.996 1.661 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.163 2.689 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.814 3.027 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.491 3.177 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.704 1.752 -6.883 1.00 0.00 H new ATOM 647 N TYR A 39 -7.136 2.599 -3.733 1.00 0.00 N ATOM 648 CA TYR A 39 -6.058 3.419 -3.233 1.00 0.00 C ATOM 649 C TYR A 39 -5.102 2.588 -2.388 1.00 0.00 C ATOM 650 O TYR A 39 -5.454 1.509 -1.914 1.00 0.00 O ATOM 651 CB TYR A 39 -6.664 4.536 -2.372 1.00 0.00 C ATOM 652 CG TYR A 39 -7.350 3.904 -1.170 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.621 3.314 -1.304 1.00 0.00 C ATOM 654 CD2 TYR A 39 -6.705 3.890 0.072 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.232 2.719 -0.196 1.00 0.00 C ATOM 656 CE2 TYR A 39 -7.317 3.293 1.178 1.00 0.00 C ATOM 657 CZ TYR A 39 -8.580 2.708 1.043 1.00 0.00 C ATOM 658 OH TYR A 39 -9.183 2.115 2.128 1.00 0.00 O ATOM 0 H TYR A 39 -8.055 2.919 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.500 3.839 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.886 5.225 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.380 5.116 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.123 3.321 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.730 4.343 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.208 2.267 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.816 3.284 2.134 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.598 2.193 2.910 1.00 0.00 H new ATOM 668 N ASN A 40 -3.927 3.134 -2.126 1.00 0.00 N ATOM 669 CA ASN A 40 -2.966 2.467 -1.255 1.00 0.00 C ATOM 670 C ASN A 40 -3.365 2.643 0.209 1.00 0.00 C ATOM 671 O ASN A 40 -3.710 3.747 0.633 1.00 0.00 O ATOM 672 CB ASN A 40 -1.549 2.996 -1.488 1.00 0.00 C ATOM 673 CG ASN A 40 -1.493 4.499 -1.233 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.221 4.934 -0.113 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.730 5.330 -2.203 1.00 0.00 N ATOM 0 H ASN A 40 -3.614 4.030 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.973 1.404 -1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.849 2.483 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.238 2.783 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.690 6.335 -2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.956 4.977 -3.133 1.00 0.00 H new ATOM 682 N PRO A 41 -3.360 1.579 0.974 1.00 0.00 N ATOM 683 CA PRO A 41 -3.788 1.607 2.410 1.00 0.00 C ATOM 684 C PRO A 41 -2.791 2.366 3.287 1.00 0.00 C ATOM 685 O PRO A 41 -1.638 2.566 2.897 1.00 0.00 O ATOM 686 CB PRO A 41 -3.850 0.126 2.790 1.00 0.00 C ATOM 687 CG PRO A 41 -2.865 -0.538 1.886 1.00 0.00 C ATOM 688 CD PRO A 41 -2.938 0.225 0.559 1.00 0.00 C ATOM 0 HA PRO A 41 -4.736 2.125 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.591 -0.025 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.853 -0.278 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.860 -0.498 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.110 -1.591 1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.974 0.241 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.654 -0.228 -0.127 1.00 0.00 H new ATOM 696 N SER A 42 -3.253 2.824 4.442 1.00 0.00 N ATOM 697 CA SER A 42 -2.417 3.596 5.350 1.00 0.00 C ATOM 698 C SER A 42 -1.157 2.804 5.711 1.00 0.00 C ATOM 699 O SER A 42 -1.124 1.575 5.578 1.00 0.00 O ATOM 700 CB SER A 42 -3.204 3.933 6.614 1.00 0.00 C ATOM 701 OG SER A 42 -4.563 4.219 6.262 1.00 0.00 O ATOM 0 H SER A 42 -4.206 2.673 4.773 1.00 0.00 H new ATOM 0 HA SER A 42 -2.118 4.521 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.165 3.098 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.758 4.791 7.116 1.00 0.00 H new ATOM 0 HG SER A 42 -5.072 4.434 7.071 1.00 0.00 H new ATOM 707 N LEU A 43 -0.117 3.503 6.139 1.00 0.00 N ATOM 708 CA LEU A 43 1.156 2.858 6.422 1.00 0.00 C ATOM 709 C LEU A 43 1.024 1.823 7.502 1.00 0.00 C ATOM 710 O LEU A 43 1.506 0.706 7.347 1.00 0.00 O ATOM 711 CB LEU A 43 2.213 3.881 6.833 1.00 0.00 C ATOM 712 CG LEU A 43 2.763 4.588 5.596 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.683 5.722 6.040 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.564 3.581 4.759 1.00 0.00 C ATOM 0 H LEU A 43 -0.129 4.511 6.297 1.00 0.00 H new ATOM 0 HA LEU A 43 1.470 2.366 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.779 4.611 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.022 3.385 7.369 1.00 0.00 H new ATOM 0 HG LEU A 43 1.944 4.991 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.081 6.233 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.120 6.430 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.506 5.314 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.960 4.078 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.388 3.188 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.913 2.762 4.454 1.00 0.00 H new ATOM 726 N GLN A 44 0.293 2.137 8.550 1.00 0.00 N ATOM 727 CA GLN A 44 0.090 1.153 9.585 1.00 0.00 C ATOM 728 C GLN A 44 -0.555 -0.056 8.950 1.00 0.00 C ATOM 729 O GLN A 44 -0.170 -1.196 9.196 1.00 0.00 O ATOM 730 CB GLN A 44 -0.840 1.701 10.678 1.00 0.00 C ATOM 731 CG GLN A 44 -0.967 0.683 11.819 1.00 0.00 C ATOM 732 CD GLN A 44 -2.221 0.971 12.630 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.156 1.176 13.836 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.369 1.007 12.025 1.00 0.00 N ATOM 0 H GLN A 44 -0.158 3.039 8.704 1.00 0.00 H new ATOM 0 HA GLN A 44 1.046 0.897 10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.448 2.643 11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.823 1.913 10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.009 -0.328 11.414 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.088 0.732 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.422 0.836 11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.218 1.206 12.554 1.00 0.00 H new ATOM 743 N LEU A 45 -1.515 0.215 8.092 1.00 0.00 N ATOM 744 CA LEU A 45 -2.221 -0.825 7.389 1.00 0.00 C ATOM 745 C LEU A 45 -1.257 -1.609 6.502 1.00 0.00 C ATOM 746 O LEU A 45 -1.191 -2.836 6.582 1.00 0.00 O ATOM 747 CB LEU A 45 -3.355 -0.201 6.556 1.00 0.00 C ATOM 748 CG LEU A 45 -4.455 -1.231 6.249 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.928 -2.316 5.309 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.950 -1.876 7.550 1.00 0.00 C ATOM 0 H LEU A 45 -1.824 1.160 7.865 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.657 -1.520 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.784 0.643 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.950 0.191 5.623 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.283 -0.714 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.720 -3.036 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.600 -1.860 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.087 -2.827 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.729 -2.604 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.119 -2.377 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.354 -1.106 8.207 1.00 0.00 H new ATOM 762 N ALA A 46 -0.428 -0.892 5.749 1.00 0.00 N ATOM 763 CA ALA A 46 0.581 -1.543 4.914 1.00 0.00 C ATOM 764 C ALA A 46 1.579 -2.291 5.778 1.00 0.00 C ATOM 765 O ALA A 46 1.960 -3.428 5.476 1.00 0.00 O ATOM 766 CB ALA A 46 1.316 -0.523 4.039 1.00 0.00 C ATOM 0 H ALA A 46 -0.432 0.127 5.698 1.00 0.00 H new ATOM 0 HA ALA A 46 0.068 -2.251 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.060 -1.036 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.601 -0.018 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.811 0.211 4.674 1.00 0.00 H new ATOM 772 N LEU A 47 1.961 -1.668 6.881 1.00 0.00 N ATOM 773 CA LEU A 47 2.879 -2.281 7.826 1.00 0.00 C ATOM 774 C LEU A 47 2.257 -3.530 8.412 1.00 0.00 C ATOM 775 O LEU A 47 2.917 -4.581 8.495 1.00 0.00 O ATOM 776 CB LEU A 47 3.268 -1.294 8.931 1.00 0.00 C ATOM 777 CG LEU A 47 4.155 -0.180 8.340 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.334 0.938 9.367 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.532 -0.753 7.971 1.00 0.00 C ATOM 0 H LEU A 47 1.648 -0.734 7.144 1.00 0.00 H new ATOM 0 HA LEU A 47 3.790 -2.559 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.373 -0.861 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.802 -1.814 9.726 1.00 0.00 H new ATOM 0 HG LEU A 47 3.675 0.219 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.962 1.723 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.360 1.353 9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.808 0.537 10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.155 0.038 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.009 -1.158 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.410 -1.546 7.233 1.00 0.00 H new ATOM 791 N LYS A 48 0.958 -3.461 8.723 1.00 0.00 N ATOM 792 CA LYS A 48 0.255 -4.654 9.171 1.00 0.00 C ATOM 793 C LYS A 48 0.287 -5.700 8.085 1.00 0.00 C ATOM 794 O LYS A 48 0.527 -6.875 8.357 1.00 0.00 O ATOM 795 CB LYS A 48 -1.221 -4.374 9.484 1.00 0.00 C ATOM 796 CG LYS A 48 -1.421 -3.573 10.776 1.00 0.00 C ATOM 797 CD LYS A 48 -2.935 -3.396 10.955 1.00 0.00 C ATOM 798 CE LYS A 48 -3.286 -2.731 12.287 1.00 0.00 C ATOM 799 NZ LYS A 48 -4.772 -2.682 12.410 1.00 0.00 N ATOM 0 H LYS A 48 0.391 -2.615 8.673 1.00 0.00 H new ATOM 0 HA LYS A 48 0.758 -4.993 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.665 -3.827 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.755 -5.321 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.989 -4.098 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.923 -2.605 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.328 -2.794 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.422 -4.369 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.855 -3.292 13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.868 -1.725 12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.072 -1.707 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.205 -2.999 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.077 -3.306 13.184 1.00 0.00 H new ATOM 813 N ILE A 49 0.044 -5.278 6.848 1.00 0.00 N ATOM 814 CA ILE A 49 0.026 -6.221 5.750 1.00 0.00 C ATOM 815 C ILE A 49 1.401 -6.831 5.622 1.00 0.00 C ATOM 816 O ILE A 49 1.543 -8.045 5.566 1.00 0.00 O ATOM 817 CB ILE A 49 -0.395 -5.531 4.432 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.855 -5.082 4.539 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.289 -6.515 3.257 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.228 -4.237 3.318 1.00 0.00 C ATOM 0 H ILE A 49 -0.139 -4.308 6.590 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.707 -7.002 5.951 1.00 0.00 H new ATOM 0 HB ILE A 49 0.263 -4.678 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.509 -5.952 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.001 -4.504 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.589 -6.015 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.740 -6.861 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.944 -7.368 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.268 -3.920 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.583 -3.359 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.099 -4.829 2.412 1.00 0.00 H new ATOM 832 N ALA A 50 2.418 -5.993 5.691 1.00 0.00 N ATOM 833 CA ALA A 50 3.780 -6.482 5.633 1.00 0.00 C ATOM 834 C ALA A 50 4.036 -7.488 6.739 1.00 0.00 C ATOM 835 O ALA A 50 4.529 -8.592 6.479 1.00 0.00 O ATOM 836 CB ALA A 50 4.773 -5.323 5.753 1.00 0.00 C ATOM 0 H ALA A 50 2.328 -4.981 5.786 1.00 0.00 H new ATOM 0 HA ALA A 50 3.920 -6.972 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.791 -5.710 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.614 -4.622 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.622 -4.811 6.703 1.00 0.00 H new ATOM 842 N TYR A 51 3.730 -7.094 7.979 1.00 0.00 N ATOM 843 CA TYR A 51 3.974 -7.962 9.127 1.00 0.00 C ATOM 844 C TYR A 51 3.059 -9.184 9.124 1.00 0.00 C ATOM 845 O TYR A 51 3.530 -10.315 9.230 1.00 0.00 O ATOM 846 CB TYR A 51 3.799 -7.192 10.447 1.00 0.00 C ATOM 847 CG TYR A 51 4.147 -8.104 11.610 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.475 -8.209 12.040 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.144 -8.853 12.249 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.804 -9.057 13.101 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.475 -9.701 13.313 1.00 0.00 C ATOM 852 CZ TYR A 51 4.805 -9.805 13.738 1.00 0.00 C ATOM 853 OH TYR A 51 5.133 -10.642 14.787 1.00 0.00 O ATOM 0 H TYR A 51 3.318 -6.190 8.209 1.00 0.00 H new ATOM 0 HA TYR A 51 5.005 -8.307 9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.441 -6.311 10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.772 -6.838 10.542 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.247 -7.633 11.551 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.118 -8.775 11.920 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.830 -9.136 13.430 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.704 -10.275 13.806 1.00 0.00 H new ATOM 0 HH TYR A 51 4.324 -11.086 15.117 1.00 0.00 H new ATOM 863 N TYR A 52 1.748 -8.946 9.047 1.00 0.00 N ATOM 864 CA TYR A 52 0.774 -10.038 9.098 1.00 0.00 C ATOM 865 C TYR A 52 0.863 -10.933 7.883 1.00 0.00 C ATOM 866 O TYR A 52 0.897 -12.160 8.005 1.00 0.00 O ATOM 867 CB TYR A 52 -0.653 -9.508 9.272 1.00 0.00 C ATOM 868 CG TYR A 52 -0.871 -9.098 10.714 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.071 -10.077 11.690 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.871 -7.748 11.076 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.273 -9.708 13.019 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.070 -7.381 12.411 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.273 -8.362 13.380 1.00 0.00 C ATOM 874 OH TYR A 52 -1.464 -8.001 14.696 1.00 0.00 O ATOM 0 H TYR A 52 1.339 -8.016 8.950 1.00 0.00 H new ATOM 0 HA TYR A 52 1.024 -10.640 9.972 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.818 -8.656 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.374 -10.275 8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.069 -11.121 11.415 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.717 -6.988 10.324 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.430 -10.467 13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.066 -6.338 12.691 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.434 -7.025 14.775 1.00 0.00 H new ATOM 884 N LEU A 53 0.948 -10.327 6.711 1.00 0.00 N ATOM 885 CA LEU A 53 1.123 -11.090 5.489 1.00 0.00 C ATOM 886 C LEU A 53 2.481 -11.757 5.529 1.00 0.00 C ATOM 887 O LEU A 53 2.668 -12.855 4.994 1.00 0.00 O ATOM 888 CB LEU A 53 0.961 -10.204 4.232 1.00 0.00 C ATOM 889 CG LEU A 53 0.620 -11.034 2.969 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.894 -11.423 2.238 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.170 -12.299 3.320 1.00 0.00 C ATOM 0 H LEU A 53 0.899 -9.317 6.581 1.00 0.00 H new ATOM 0 HA LEU A 53 0.346 -11.851 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.174 -9.471 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.883 -9.648 4.061 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.000 -10.410 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.642 -12.006 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.431 -10.523 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.524 -12.020 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.391 -12.855 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.421 -12.922 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.103 -12.021 3.810 1.00 0.00 H new ATOM 903 N ASN A 54 3.440 -11.062 6.149 1.00 0.00 N ATOM 904 CA ASN A 54 4.829 -11.517 6.247 1.00 0.00 C ATOM 905 C ASN A 54 5.517 -11.348 4.923 1.00 0.00 C ATOM 906 O ASN A 54 5.838 -12.324 4.241 1.00 0.00 O ATOM 907 CB ASN A 54 4.919 -12.974 6.729 1.00 0.00 C ATOM 908 CG ASN A 54 4.403 -13.071 8.151 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.200 -13.489 8.357 1.00 0.00 O flip ATOM 910 ND2 ASN A 54 5.111 -12.727 9.103 1.00 0.00 N flip ATOM 0 H ASN A 54 3.272 -10.162 6.600 1.00 0.00 H new ATOM 0 HA ASN A 54 5.335 -10.902 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.335 -13.621 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.951 -13.320 6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.062 -12.397 8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.745 -12.773 10.054 1.00 0.00 H new ATOM 917 N THR A 55 5.580 -10.112 4.484 1.00 0.00 N ATOM 918 CA THR A 55 6.087 -9.791 3.167 1.00 0.00 C ATOM 919 C THR A 55 6.624 -8.350 3.127 1.00 0.00 C ATOM 920 O THR A 55 6.104 -7.463 3.817 1.00 0.00 O ATOM 921 CB THR A 55 4.957 -10.003 2.141 1.00 0.00 C ATOM 922 OG1 THR A 55 4.742 -11.401 1.959 1.00 0.00 O ATOM 923 CG2 THR A 55 5.290 -9.351 0.793 1.00 0.00 C ATOM 0 H THR A 55 5.282 -9.302 5.027 1.00 0.00 H new ATOM 0 HA THR A 55 6.922 -10.447 2.919 1.00 0.00 H new ATOM 0 HB THR A 55 4.053 -9.531 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.737 -11.609 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.471 -9.521 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.432 -8.279 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.205 -9.789 0.393 1.00 0.00 H new ATOM 931 N PRO A 56 7.655 -8.106 2.345 1.00 0.00 N ATOM 932 CA PRO A 56 8.262 -6.747 2.198 1.00 0.00 C ATOM 933 C PRO A 56 7.277 -5.738 1.613 1.00 0.00 C ATOM 934 O PRO A 56 6.457 -6.083 0.758 1.00 0.00 O ATOM 935 CB PRO A 56 9.429 -6.966 1.224 1.00 0.00 C ATOM 936 CG PRO A 56 9.705 -8.429 1.270 1.00 0.00 C ATOM 937 CD PRO A 56 8.364 -9.100 1.510 1.00 0.00 C ATOM 0 HA PRO A 56 8.567 -6.338 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.166 -6.646 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.305 -6.390 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.151 -8.772 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.409 -8.668 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.836 -9.297 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.474 -10.056 2.022 1.00 0.00 H new ATOM 945 N LEU A 57 7.455 -4.475 1.972 1.00 0.00 N ATOM 946 CA LEU A 57 6.646 -3.406 1.401 1.00 0.00 C ATOM 947 C LEU A 57 6.840 -3.375 -0.093 1.00 0.00 C ATOM 948 O LEU A 57 5.948 -2.984 -0.836 1.00 0.00 O ATOM 949 CB LEU A 57 7.026 -2.038 1.993 1.00 0.00 C ATOM 950 CG LEU A 57 6.211 -1.747 3.266 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.782 -1.359 2.884 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.179 -2.972 4.178 1.00 0.00 C ATOM 0 H LEU A 57 8.149 -4.165 2.653 1.00 0.00 H new ATOM 0 HA LEU A 57 5.602 -3.604 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.091 -2.021 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.848 -1.256 1.255 1.00 0.00 H new ATOM 0 HG LEU A 57 6.686 -0.925 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.207 -1.154 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.802 -0.468 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.317 -2.178 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.598 -2.745 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.720 -3.807 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.196 -3.239 4.465 1.00 0.00 H new ATOM 964 N GLU A 58 8.018 -3.785 -0.526 1.00 0.00 N ATOM 965 CA GLU A 58 8.358 -3.773 -1.931 1.00 0.00 C ATOM 966 C GLU A 58 7.363 -4.623 -2.724 1.00 0.00 C ATOM 967 O GLU A 58 6.953 -4.244 -3.822 1.00 0.00 O ATOM 968 CB GLU A 58 9.777 -4.330 -2.116 1.00 0.00 C ATOM 969 CG GLU A 58 10.807 -3.365 -1.493 1.00 0.00 C ATOM 970 CD GLU A 58 12.219 -3.942 -1.577 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.393 -4.974 -2.181 1.00 0.00 O ATOM 972 OE2 GLU A 58 13.107 -3.343 -1.018 1.00 0.00 O ATOM 0 H GLU A 58 8.759 -4.133 0.083 1.00 0.00 H new ATOM 0 HA GLU A 58 8.315 -2.748 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.856 -5.311 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.988 -4.465 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.771 -2.406 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.549 -3.176 -0.451 1.00 0.00 H new ATOM 979 N ASP A 59 6.983 -5.773 -2.172 1.00 0.00 N ATOM 980 CA ASP A 59 6.028 -6.655 -2.846 1.00 0.00 C ATOM 981 C ASP A 59 4.661 -6.017 -2.947 1.00 0.00 C ATOM 982 O ASP A 59 4.002 -6.104 -3.980 1.00 0.00 O ATOM 983 CB ASP A 59 5.893 -7.983 -2.094 1.00 0.00 C ATOM 984 CG ASP A 59 6.970 -8.948 -2.523 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.025 -8.913 -1.952 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.726 -9.708 -3.449 1.00 0.00 O ATOM 0 H ASP A 59 7.316 -6.115 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 59 6.414 -6.834 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.961 -7.808 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.911 -8.417 -2.285 1.00 0.00 H new ATOM 991 N ILE A 60 4.205 -5.463 -1.836 1.00 0.00 N ATOM 992 CA ILE A 60 2.852 -4.935 -1.749 1.00 0.00 C ATOM 993 C ILE A 60 2.769 -3.480 -2.189 1.00 0.00 C ATOM 994 O ILE A 60 1.891 -3.107 -2.966 1.00 0.00 O ATOM 995 CB ILE A 60 2.308 -5.106 -0.311 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.254 -4.441 0.704 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.183 -6.591 0.028 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.633 -4.507 2.098 1.00 0.00 C ATOM 0 H ILE A 60 4.752 -5.367 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 60 2.231 -5.507 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 60 1.328 -4.631 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.221 -4.945 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.434 -3.403 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.799 -6.702 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.498 -7.068 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.162 -7.064 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.303 -4.036 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.677 -3.983 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.475 -5.549 2.377 1.00 0.00 H new ATOM 1010 N PHE A 61 3.690 -2.670 -1.716 1.00 0.00 N ATOM 1011 CA PHE A 61 3.700 -1.260 -2.053 1.00 0.00 C ATOM 1012 C PHE A 61 5.094 -0.828 -2.453 1.00 0.00 C ATOM 1013 O PHE A 61 5.786 -0.102 -1.726 1.00 0.00 O ATOM 1014 CB PHE A 61 3.144 -0.428 -0.890 1.00 0.00 C ATOM 1015 CG PHE A 61 1.773 -0.979 -0.540 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.729 -0.910 -1.471 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.555 -1.582 0.703 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.526 -1.443 -1.159 1.00 0.00 C ATOM 1019 CE2 PHE A 61 0.300 -2.116 1.014 1.00 0.00 C ATOM 1020 CZ PHE A 61 -0.740 -2.049 0.084 1.00 0.00 C ATOM 0 H PHE A 61 4.444 -2.963 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 61 3.049 -1.089 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.809 -0.483 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.073 0.623 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.893 -0.444 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.357 -1.635 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.330 -1.387 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.135 -2.581 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.708 -2.464 0.324 1.00 0.00 H new ATOM 1030 N GLN A 62 5.503 -1.320 -3.605 1.00 0.00 N ATOM 1031 CA GLN A 62 6.825 -1.055 -4.161 1.00 0.00 C ATOM 1032 C GLN A 62 7.031 0.430 -4.344 1.00 0.00 C ATOM 1033 O GLN A 62 6.065 1.192 -4.424 1.00 0.00 O ATOM 1034 CB GLN A 62 6.971 -1.746 -5.527 1.00 0.00 C ATOM 1035 CG GLN A 62 5.615 -1.738 -6.254 1.00 0.00 C ATOM 1036 CD GLN A 62 4.904 -3.078 -6.086 1.00 0.00 C ATOM 1037 OE1 GLN A 62 5.453 -4.122 -6.439 1.00 0.00 O ATOM 1038 NE2 GLN A 62 3.714 -3.111 -5.568 1.00 0.00 N ATOM 0 H GLN A 62 4.925 -1.922 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 62 7.570 -1.444 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.721 -1.232 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.318 -2.771 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.990 -0.937 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.766 -1.531 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.261 -2.245 -5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.232 -4.003 -5.453 1.00 0.00 H new ATOM 1047 N TRP A 63 8.268 0.824 -4.566 1.00 0.00 N ATOM 1048 CA TRP A 63 8.573 2.214 -4.875 1.00 0.00 C ATOM 1049 C TRP A 63 8.079 2.561 -6.279 1.00 0.00 C ATOM 1050 O TRP A 63 8.809 3.138 -7.089 1.00 0.00 O ATOM 1051 CB TRP A 63 10.077 2.484 -4.729 1.00 0.00 C ATOM 1052 CG TRP A 63 10.515 2.072 -3.359 1.00 0.00 C ATOM 1053 CD1 TRP A 63 11.509 1.201 -3.089 1.00 0.00 C ATOM 1054 CD2 TRP A 63 9.976 2.487 -2.070 1.00 0.00 C ATOM 1055 NE1 TRP A 63 11.622 1.067 -1.715 1.00 0.00 N ATOM 1056 CE2 TRP A 63 10.699 1.839 -1.048 1.00 0.00 C ATOM 1057 CE3 TRP A 63 8.942 3.361 -1.697 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 10.405 2.042 0.297 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 8.645 3.571 -0.343 1.00 0.00 C ATOM 1060 CH2 TRP A 63 9.377 2.912 0.650 1.00 0.00 C ATOM 0 H TRP A 63 9.080 0.207 -4.539 1.00 0.00 H new ATOM 0 HA TRP A 63 8.053 2.856 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 63 10.634 1.930 -5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 63 10.287 3.541 -4.889 1.00 0.00 H new ATOM 0 HD1 TRP A 63 12.116 0.692 -3.823 1.00 0.00 H new ATOM 0 HE1 TRP A 63 12.307 0.468 -1.253 1.00 0.00 H new ATOM 0 HE3 TRP A 63 8.372 3.874 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 10.970 1.529 1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 7.848 4.244 -0.066 1.00 0.00 H new ATOM 0 HH2 TRP A 63 9.145 3.078 1.692 1.00 0.00 H new ATOM 1071 N GLN A 64 6.850 2.148 -6.568 1.00 0.00 N ATOM 1072 CA GLN A 64 6.224 2.359 -7.870 1.00 0.00 C ATOM 1073 C GLN A 64 6.321 3.810 -8.296 1.00 0.00 C ATOM 1074 O GLN A 64 5.625 4.666 -7.754 1.00 0.00 O ATOM 1075 CB GLN A 64 4.744 1.936 -7.822 1.00 0.00 C ATOM 1076 CG GLN A 64 4.066 2.523 -6.570 1.00 0.00 C ATOM 1077 CD GLN A 64 3.220 1.486 -5.839 1.00 0.00 C ATOM 1078 OE1 GLN A 64 2.012 1.433 -6.024 1.00 0.00 O ATOM 1079 NE2 GLN A 64 3.774 0.668 -5.019 1.00 0.00 N ATOM 0 H GLN A 64 6.256 1.654 -5.902 1.00 0.00 H new ATOM 0 HA GLN A 64 6.756 1.748 -8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.230 2.281 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.669 0.849 -7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.828 2.911 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.437 3.365 -6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.781 0.708 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.207 -0.022 -4.526 1.00 0.00 H new ATOM 1088 N PRO A 65 7.137 4.112 -9.269 1.00 0.00 N ATOM 1089 CA PRO A 65 7.255 5.499 -9.784 1.00 0.00 C ATOM 1090 C PRO A 65 5.893 6.010 -10.235 1.00 0.00 C ATOM 1091 O PRO A 65 5.555 7.187 -10.053 1.00 0.00 O ATOM 1092 CB PRO A 65 8.195 5.363 -10.988 1.00 0.00 C ATOM 1093 CG PRO A 65 8.985 4.124 -10.716 1.00 0.00 C ATOM 1094 CD PRO A 65 8.033 3.179 -9.988 1.00 0.00 C ATOM 0 HA PRO A 65 7.623 6.200 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.635 5.279 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.844 6.233 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.346 3.678 -11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.861 4.344 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.483 2.544 -10.682 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.564 2.518 -9.303 1.00 0.00 H new ATOM 1102 N GLU A 66 5.132 5.106 -10.850 1.00 0.00 N ATOM 1103 CA GLU A 66 3.823 5.414 -11.402 1.00 0.00 C ATOM 1104 C GLU A 66 3.230 4.165 -12.067 1.00 0.00 C ATOM 1105 O GLU A 66 3.939 3.186 -12.185 1.00 0.00 O ATOM 1106 CB GLU A 66 3.939 6.534 -12.441 1.00 0.00 C ATOM 1107 CG GLU A 66 5.110 6.235 -13.378 1.00 0.00 C ATOM 1108 CD GLU A 66 5.081 7.153 -14.574 1.00 0.00 C ATOM 1109 OE1 GLU A 66 5.020 8.340 -14.382 1.00 0.00 O ATOM 1110 OE2 GLU A 66 5.136 6.651 -15.670 1.00 0.00 O ATOM 1111 OXT GLU A 66 2.087 4.211 -12.462 1.00 0.00 O ATOM 0 H GLU A 66 5.413 4.134 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 66 3.170 5.740 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.013 6.614 -13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.091 7.492 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.051 6.357 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.063 5.197 -13.708 1.00 0.00 H new TER 1118 GLU A 66