USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 698 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 1 MET N :NH3+ -173:sc= 1.68 (180deg=0.544) USER MOD Set 1.2: A 77 TYR OH : rot 133:sc= 2.19 USER MOD Set 2.1: A 58 ASN : amide:sc= 0.875 K(o=2.7,f=0.63) USER MOD Set 2.2: A 69 THR OG1 : rot 35:sc= 1.81 USER MOD Set 3.1: A 40 SER OG : rot -68:sc= 1.78 USER MOD Set 3.2: A 43 THR OG1 : rot -170:sc= 1.02 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.706 K(o=1.6,f=-7.1!) USER MOD Set 4.2: A 31 LYS NZ :NH3+ 157:sc= 0.864 (180deg=-0.0548) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 0.741 (180deg=0.161) USER MOD Single : A 3 LYS NZ :NH3+ -143:sc= 0.994 (180deg=-0.099) USER MOD Single : A 6 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.33) USER MOD Single : A 8 SER OG : rot -73:sc= 1.15 USER MOD Single : A 15 MET CE :methyl -179:sc= -1.46 (180deg=-1.49) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 0.476 (180deg=0.268) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0613) USER MOD Single : A 21 HIS : no HD1:sc= 0.218 K(o=0.22,f=-4.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 23 SER OG : rot -1:sc= 0.227 USER MOD Single : A 25 ASN : amide:sc= -0.143 K(o=-0.14,f=-10!) USER MOD Single : A 26 THR OG1 : rot -52:sc= 1.99 USER MOD Single : A 34 SER OG : rot 88:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.661 (180deg=0.625) USER MOD Single : A 36 THR OG1 : rot -78:sc= 1.04 USER MOD Single : A 37 SER OG : rot 6:sc= 0.627 USER MOD Single : A 38 THR OG1 : rot 61:sc= 0.275 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0805) USER MOD Single : A 45 GLN : amide:sc= 0.427 X(o=0.43,f=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 47 MET CE :methyl -171:sc= -0.0156 (180deg=-0.0429) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0236) USER MOD Single : A 59 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.38) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0393) USER MOD Single : A 68 TYR OH : rot 93:sc= 1.19 USER MOD Single : A 71 ASN : amide:sc= 0.137 X(o=0.14,f=-0.0086) USER MOD Single : A 75 SER OG : rot -87:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= 0.446 (180deg=0.332) USER MOD Single : A 82 SER OG : rot 29:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.267 11.283 -2.466 1.00 0.00 N ATOM 2 CA MET A 1 10.134 11.953 -3.452 1.00 0.00 C ATOM 3 C MET A 1 9.377 13.076 -4.156 1.00 0.00 C ATOM 4 O MET A 1 9.770 14.229 -4.021 1.00 0.00 O ATOM 5 CB MET A 1 10.779 10.998 -4.471 1.00 0.00 C ATOM 6 CG MET A 1 11.777 10.021 -3.840 1.00 0.00 C ATOM 7 SD MET A 1 11.038 8.674 -2.890 1.00 0.00 S ATOM 8 CE MET A 1 12.476 8.112 -1.954 1.00 0.00 C ATOM 0 H1 MET A 1 9.829 10.604 -1.915 1.00 0.00 H new ATOM 0 H2 MET A 1 8.856 11.993 -1.826 1.00 0.00 H new ATOM 0 H3 MET A 1 8.503 10.780 -2.961 1.00 0.00 H new ATOM 0 HA MET A 1 10.963 12.376 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.995 10.431 -4.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.289 11.584 -5.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.391 9.592 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.446 10.581 -3.186 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.190 7.278 -1.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.255 7.788 -2.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.852 8.930 -1.339 1.00 0.00 H new ATOM 20 N LYS A 2 8.295 12.759 -4.884 1.00 0.00 N ATOM 21 CA LYS A 2 7.482 13.808 -5.504 1.00 0.00 C ATOM 22 C LYS A 2 7.005 14.745 -4.392 1.00 0.00 C ATOM 23 O LYS A 2 7.210 15.954 -4.436 1.00 0.00 O ATOM 24 CB LYS A 2 6.276 13.219 -6.251 1.00 0.00 C ATOM 25 CG LYS A 2 6.650 12.309 -7.426 1.00 0.00 C ATOM 26 CD LYS A 2 5.366 11.985 -8.203 1.00 0.00 C ATOM 27 CE LYS A 2 5.597 10.952 -9.309 1.00 0.00 C ATOM 28 NZ LYS A 2 4.357 10.725 -10.075 1.00 0.00 N ATOM 0 H LYS A 2 7.971 11.807 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 2 8.081 14.347 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.667 12.652 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.657 14.036 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.374 12.802 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.118 11.393 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.611 11.610 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.970 12.901 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.386 11.297 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.938 10.013 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.297 9.724 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.536 10.973 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.363 11.318 -10.929 1.00 0.00 H new ATOM 42 N LYS A 3 6.367 14.133 -3.395 1.00 0.00 N ATOM 43 CA LYS A 3 5.916 14.732 -2.153 1.00 0.00 C ATOM 44 C LYS A 3 6.682 14.011 -1.031 1.00 0.00 C ATOM 45 O LYS A 3 7.541 13.163 -1.304 1.00 0.00 O ATOM 46 CB LYS A 3 4.390 14.562 -2.031 1.00 0.00 C ATOM 47 CG LYS A 3 3.556 15.679 -2.680 1.00 0.00 C ATOM 48 CD LYS A 3 3.828 15.870 -4.178 1.00 0.00 C ATOM 49 CE LYS A 3 2.750 16.710 -4.875 1.00 0.00 C ATOM 50 NZ LYS A 3 1.437 16.040 -4.873 1.00 0.00 N ATOM 0 H LYS A 3 6.140 13.140 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 3 6.112 15.803 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.109 13.611 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.130 14.503 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.498 15.458 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.757 16.617 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.798 16.351 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.889 14.894 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.665 17.675 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.054 16.908 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.948 16.231 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.571 15.015 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.864 16.401 -4.084 1.00 0.00 H new ATOM 64 N ILE A 4 6.360 14.338 0.225 1.00 0.00 N ATOM 65 CA ILE A 4 6.992 13.781 1.418 1.00 0.00 C ATOM 66 C ILE A 4 7.102 12.245 1.381 1.00 0.00 C ATOM 67 O ILE A 4 8.190 11.743 1.662 1.00 0.00 O ATOM 68 CB ILE A 4 6.327 14.340 2.697 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.610 15.853 2.801 1.00 0.00 C ATOM 70 CG2 ILE A 4 6.838 13.615 3.953 1.00 0.00 C ATOM 71 CD1 ILE A 4 5.820 16.542 3.918 1.00 0.00 C ATOM 0 H ILE A 4 5.631 15.017 0.442 1.00 0.00 H new ATOM 0 HA ILE A 4 8.030 14.114 1.436 1.00 0.00 H new ATOM 0 HB ILE A 4 5.252 14.172 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.676 16.005 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.369 16.327 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.352 14.030 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.608 12.552 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.917 13.748 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.066 17.604 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.752 16.420 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.079 16.093 4.877 1.00 0.00 H new ATOM 83 N PRO A 5 6.045 11.477 1.041 1.00 0.00 N ATOM 84 CA PRO A 5 6.126 10.025 0.980 1.00 0.00 C ATOM 85 C PRO A 5 7.339 9.546 0.200 1.00 0.00 C ATOM 86 O PRO A 5 7.539 9.910 -0.961 1.00 0.00 O ATOM 87 CB PRO A 5 4.824 9.549 0.343 1.00 0.00 C ATOM 88 CG PRO A 5 3.853 10.586 0.886 1.00 0.00 C ATOM 89 CD PRO A 5 4.658 11.883 0.871 1.00 0.00 C ATOM 0 HA PRO A 5 6.251 9.609 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.869 9.554 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.561 8.536 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.961 10.662 0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.520 10.334 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.518 12.422 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.343 12.551 1.673 1.00 0.00 H new ATOM 97 N GLN A 6 8.152 8.707 0.839 1.00 0.00 N ATOM 98 CA GLN A 6 9.393 8.205 0.292 1.00 0.00 C ATOM 99 C GLN A 6 9.110 7.044 -0.675 1.00 0.00 C ATOM 100 O GLN A 6 9.746 5.996 -0.607 1.00 0.00 O ATOM 101 CB GLN A 6 10.359 7.797 1.415 1.00 0.00 C ATOM 102 CG GLN A 6 10.576 8.851 2.514 1.00 0.00 C ATOM 103 CD GLN A 6 11.040 8.168 3.799 1.00 0.00 C ATOM 104 OE1 GLN A 6 12.103 7.558 3.831 1.00 0.00 O ATOM 105 NE2 GLN A 6 10.216 8.195 4.844 1.00 0.00 N ATOM 0 H GLN A 6 7.953 8.354 1.775 1.00 0.00 H new ATOM 0 HA GLN A 6 9.880 8.999 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.985 6.884 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.325 7.556 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.318 9.580 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.650 9.397 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.338 8.711 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.463 7.700 5.701 1.00 0.00 H new ATOM 114 N ILE A 7 8.159 7.242 -1.589 1.00 0.00 N ATOM 115 CA ILE A 7 7.642 6.203 -2.473 1.00 0.00 C ATOM 116 C ILE A 7 8.454 6.031 -3.753 1.00 0.00 C ATOM 117 O ILE A 7 8.696 7.000 -4.476 1.00 0.00 O ATOM 118 CB ILE A 7 6.156 6.484 -2.777 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.355 6.159 -1.510 1.00 0.00 C ATOM 120 CG2 ILE A 7 5.618 5.704 -3.993 1.00 0.00 C ATOM 121 CD1 ILE A 7 3.853 6.354 -1.695 1.00 0.00 C ATOM 0 H ILE A 7 7.719 8.150 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 7 7.735 5.252 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 7 6.049 7.534 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.550 5.127 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.701 6.793 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.568 5.951 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.189 5.975 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.716 4.634 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.337 6.109 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.651 7.392 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.497 5.700 -2.491 1.00 0.00 H new ATOM 133 N SER A 8 8.807 4.773 -4.035 1.00 0.00 N ATOM 134 CA SER A 8 9.435 4.306 -5.260 1.00 0.00 C ATOM 135 C SER A 8 8.368 3.610 -6.128 1.00 0.00 C ATOM 136 O SER A 8 7.213 3.479 -5.720 1.00 0.00 O ATOM 137 CB SER A 8 10.581 3.356 -4.891 1.00 0.00 C ATOM 138 OG SER A 8 10.096 2.280 -4.110 1.00 0.00 O ATOM 0 H SER A 8 8.650 4.015 -3.371 1.00 0.00 H new ATOM 0 HA SER A 8 9.851 5.134 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.051 2.974 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.348 3.898 -4.338 1.00 0.00 H new ATOM 0 HG SER A 8 9.882 2.600 -3.209 1.00 0.00 H new ATOM 144 N ASP A 9 8.749 3.141 -7.323 1.00 0.00 N ATOM 145 CA ASP A 9 7.832 2.502 -8.264 1.00 0.00 C ATOM 146 C ASP A 9 7.002 1.376 -7.634 1.00 0.00 C ATOM 147 O ASP A 9 5.778 1.460 -7.601 1.00 0.00 O ATOM 148 CB ASP A 9 8.601 1.995 -9.488 1.00 0.00 C ATOM 149 CG ASP A 9 7.666 1.287 -10.465 1.00 0.00 C ATOM 150 OD1 ASP A 9 7.047 2.005 -11.279 1.00 0.00 O ATOM 151 OD2 ASP A 9 7.583 0.043 -10.371 1.00 0.00 O ATOM 0 H ASP A 9 9.709 3.197 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 9 7.117 3.264 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.089 2.832 -9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.387 1.310 -9.170 1.00 0.00 H new ATOM 156 N ALA A 10 7.656 0.319 -7.142 1.00 0.00 N ATOM 157 CA ALA A 10 6.963 -0.833 -6.567 1.00 0.00 C ATOM 158 C ALA A 10 5.978 -0.399 -5.480 1.00 0.00 C ATOM 159 O ALA A 10 4.818 -0.813 -5.475 1.00 0.00 O ATOM 160 CB ALA A 10 7.981 -1.837 -6.022 1.00 0.00 C ATOM 0 H ALA A 10 8.673 0.240 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 10 6.385 -1.318 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.456 -2.692 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.628 -2.175 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.585 -1.360 -5.250 1.00 0.00 H new ATOM 166 N GLU A 11 6.448 0.456 -4.569 1.00 0.00 N ATOM 167 CA GLU A 11 5.622 1.009 -3.509 1.00 0.00 C ATOM 168 C GLU A 11 4.384 1.668 -4.113 1.00 0.00 C ATOM 169 O GLU A 11 3.273 1.440 -3.647 1.00 0.00 O ATOM 170 CB GLU A 11 6.440 2.021 -2.703 1.00 0.00 C ATOM 171 CG GLU A 11 7.515 1.308 -1.875 1.00 0.00 C ATOM 172 CD GLU A 11 8.315 2.315 -1.065 1.00 0.00 C ATOM 173 OE1 GLU A 11 9.088 3.056 -1.712 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.129 2.328 0.170 1.00 0.00 O ATOM 0 H GLU A 11 7.415 0.781 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 11 5.295 0.213 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.909 2.738 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.781 2.587 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.048 0.584 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.181 0.751 -2.534 1.00 0.00 H new ATOM 181 N LEU A 12 4.570 2.479 -5.154 1.00 0.00 N ATOM 182 CA LEU A 12 3.464 3.156 -5.808 1.00 0.00 C ATOM 183 C LEU A 12 2.486 2.153 -6.440 1.00 0.00 C ATOM 184 O LEU A 12 1.272 2.315 -6.309 1.00 0.00 O ATOM 185 CB LEU A 12 4.017 4.184 -6.800 1.00 0.00 C ATOM 186 CG LEU A 12 2.927 5.040 -7.453 1.00 0.00 C ATOM 187 CD1 LEU A 12 2.321 6.005 -6.426 1.00 0.00 C ATOM 188 CD2 LEU A 12 3.554 5.819 -8.613 1.00 0.00 C ATOM 0 H LEU A 12 5.484 2.680 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 12 2.874 3.699 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.721 4.836 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.576 3.664 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 12 2.126 4.401 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.548 6.607 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.883 5.436 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.101 6.659 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.793 6.435 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.352 6.457 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.965 5.120 -9.341 1.00 0.00 H new ATOM 200 N GLU A 13 2.991 1.110 -7.112 1.00 0.00 N ATOM 201 CA GLU A 13 2.133 0.073 -7.682 1.00 0.00 C ATOM 202 C GLU A 13 1.230 -0.493 -6.584 1.00 0.00 C ATOM 203 O GLU A 13 0.009 -0.542 -6.726 1.00 0.00 O ATOM 204 CB GLU A 13 2.968 -1.064 -8.292 1.00 0.00 C ATOM 205 CG GLU A 13 3.808 -0.637 -9.504 1.00 0.00 C ATOM 206 CD GLU A 13 2.945 -0.115 -10.648 1.00 0.00 C ATOM 207 OE1 GLU A 13 2.301 -0.964 -11.302 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.935 1.120 -10.839 1.00 0.00 O ATOM 0 H GLU A 13 3.988 0.966 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 13 1.531 0.519 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.631 -1.466 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.300 -1.872 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.513 0.137 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.397 -1.485 -9.853 1.00 0.00 H new ATOM 215 N VAL A 14 1.854 -0.913 -5.482 1.00 0.00 N ATOM 216 CA VAL A 14 1.150 -1.452 -4.329 1.00 0.00 C ATOM 217 C VAL A 14 0.121 -0.440 -3.828 1.00 0.00 C ATOM 218 O VAL A 14 -1.045 -0.784 -3.633 1.00 0.00 O ATOM 219 CB VAL A 14 2.180 -1.822 -3.250 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.534 -2.087 -1.886 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.991 -3.029 -3.722 1.00 0.00 C ATOM 0 H VAL A 14 2.867 -0.886 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 14 0.602 -2.355 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 14 2.843 -0.969 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.307 -2.344 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.007 -1.193 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.828 -2.913 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.723 -3.296 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.322 -3.872 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.507 -2.781 -4.650 1.00 0.00 H new ATOM 231 N MET A 15 0.545 0.810 -3.631 1.00 0.00 N ATOM 232 CA MET A 15 -0.322 1.866 -3.141 1.00 0.00 C ATOM 233 C MET A 15 -1.646 1.916 -3.888 1.00 0.00 C ATOM 234 O MET A 15 -2.689 2.038 -3.256 1.00 0.00 O ATOM 235 CB MET A 15 0.354 3.221 -3.209 1.00 0.00 C ATOM 236 CG MET A 15 1.403 3.352 -2.120 1.00 0.00 C ATOM 237 SD MET A 15 1.025 4.548 -0.815 1.00 0.00 S ATOM 238 CE MET A 15 -0.571 3.926 -0.248 1.00 0.00 C ATOM 0 H MET A 15 1.503 1.112 -3.809 1.00 0.00 H new ATOM 0 HA MET A 15 -0.528 1.628 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.819 3.353 -4.186 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.390 4.010 -3.101 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.550 2.374 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.349 3.632 -2.583 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.950 4.568 0.547 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.276 3.923 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.452 2.911 0.130 1.00 0.00 H new ATOM 248 N LYS A 16 -1.617 1.821 -5.219 1.00 0.00 N ATOM 249 CA LYS A 16 -2.844 1.854 -6.001 1.00 0.00 C ATOM 250 C LYS A 16 -3.824 0.771 -5.541 1.00 0.00 C ATOM 251 O LYS A 16 -5.011 1.055 -5.409 1.00 0.00 O ATOM 252 CB LYS A 16 -2.526 1.776 -7.499 1.00 0.00 C ATOM 253 CG LYS A 16 -3.550 2.598 -8.293 1.00 0.00 C ATOM 254 CD LYS A 16 -3.183 2.641 -9.781 1.00 0.00 C ATOM 255 CE LYS A 16 -4.181 3.487 -10.584 1.00 0.00 C ATOM 256 NZ LYS A 16 -4.186 4.902 -10.164 1.00 0.00 N ATOM 0 H LYS A 16 -0.764 1.722 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.345 2.807 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.520 2.152 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.545 0.738 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.543 2.164 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.594 3.612 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.180 3.052 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.160 1.627 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.934 3.426 -11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.182 3.072 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.686 5.473 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.669 4.990 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.207 5.241 -10.074 1.00 0.00 H new ATOM 270 N VAL A 17 -3.357 -0.451 -5.257 1.00 0.00 N ATOM 271 CA VAL A 17 -4.246 -1.485 -4.733 1.00 0.00 C ATOM 272 C VAL A 17 -4.855 -0.986 -3.417 1.00 0.00 C ATOM 273 O VAL A 17 -6.071 -1.013 -3.231 1.00 0.00 O ATOM 274 CB VAL A 17 -3.483 -2.818 -4.571 1.00 0.00 C ATOM 275 CG1 VAL A 17 -3.999 -3.650 -3.393 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.579 -3.653 -5.853 1.00 0.00 C ATOM 0 H VAL A 17 -2.387 -0.741 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.060 -1.681 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.444 -2.557 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.429 -4.576 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.884 -3.083 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.053 -3.883 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.035 -4.588 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.625 -3.869 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.145 -3.096 -6.683 1.00 0.00 H new ATOM 286 N ILE A 18 -3.995 -0.508 -2.514 1.00 0.00 N ATOM 287 CA ILE A 18 -4.407 -0.012 -1.206 1.00 0.00 C ATOM 288 C ILE A 18 -5.430 1.124 -1.342 1.00 0.00 C ATOM 289 O ILE A 18 -6.328 1.242 -0.515 1.00 0.00 O ATOM 290 CB ILE A 18 -3.163 0.377 -0.376 1.00 0.00 C ATOM 291 CG1 ILE A 18 -2.191 -0.824 -0.334 1.00 0.00 C ATOM 292 CG2 ILE A 18 -3.562 0.864 1.026 1.00 0.00 C ATOM 293 CD1 ILE A 18 -1.127 -0.760 0.760 1.00 0.00 C ATOM 0 H ILE A 18 -2.989 -0.456 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.919 -0.805 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.650 1.214 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.772 -1.737 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.692 -0.901 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.666 1.131 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.208 1.737 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.095 0.070 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.496 -1.647 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.514 0.131 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.611 -0.718 1.736 1.00 0.00 H new ATOM 305 N TRP A 19 -5.288 1.951 -2.380 1.00 0.00 N ATOM 306 CA TRP A 19 -6.113 3.096 -2.689 1.00 0.00 C ATOM 307 C TRP A 19 -7.423 2.730 -3.393 1.00 0.00 C ATOM 308 O TRP A 19 -8.407 3.447 -3.230 1.00 0.00 O ATOM 309 CB TRP A 19 -5.235 4.039 -3.522 1.00 0.00 C ATOM 310 CG TRP A 19 -4.323 4.960 -2.759 1.00 0.00 C ATOM 311 CD1 TRP A 19 -4.539 5.448 -1.513 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.014 5.477 -3.157 1.00 0.00 C ATOM 313 NE1 TRP A 19 -3.459 6.194 -1.103 1.00 0.00 N ATOM 314 CE2 TRP A 19 -2.488 6.234 -2.074 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.197 5.364 -4.304 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.218 6.811 -2.108 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -0.914 5.944 -4.346 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.423 6.673 -3.251 1.00 0.00 C ATOM 0 H TRP A 19 -4.543 1.821 -3.064 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.448 3.581 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.625 3.433 -4.192 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.887 4.648 -4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.430 5.276 -0.927 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.388 6.657 -0.197 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.563 4.823 -5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.850 7.362 -1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.302 5.827 -5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.558 7.123 -3.291 1.00 0.00 H new ATOM 329 N LYS A 20 -7.454 1.665 -4.201 1.00 0.00 N ATOM 330 CA LYS A 20 -8.697 1.234 -4.838 1.00 0.00 C ATOM 331 C LYS A 20 -9.698 0.846 -3.751 1.00 0.00 C ATOM 332 O LYS A 20 -10.842 1.297 -3.750 1.00 0.00 O ATOM 333 CB LYS A 20 -8.438 0.054 -5.787 1.00 0.00 C ATOM 334 CG LYS A 20 -7.714 0.500 -7.062 1.00 0.00 C ATOM 335 CD LYS A 20 -8.686 1.088 -8.096 1.00 0.00 C ATOM 336 CE LYS A 20 -7.940 1.680 -9.298 1.00 0.00 C ATOM 337 NZ LYS A 20 -7.149 0.663 -10.014 1.00 0.00 N ATOM 0 H LYS A 20 -6.640 1.093 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.106 2.051 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.841 -0.701 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.386 -0.415 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.959 1.244 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.190 -0.350 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.369 0.310 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.293 1.862 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.658 2.130 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.281 2.478 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.743 1.082 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.382 0.324 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.763 -0.135 -10.273 1.00 0.00 H new ATOM 351 N HIS A 21 -9.258 -0.012 -2.833 1.00 0.00 N ATOM 352 CA HIS A 21 -10.066 -0.428 -1.696 1.00 0.00 C ATOM 353 C HIS A 21 -10.172 0.763 -0.723 1.00 0.00 C ATOM 354 O HIS A 21 -9.293 1.620 -0.711 1.00 0.00 O ATOM 355 CB HIS A 21 -9.425 -1.655 -1.029 1.00 0.00 C ATOM 356 CG HIS A 21 -9.273 -2.895 -1.880 1.00 0.00 C ATOM 357 ND1 HIS A 21 -8.857 -2.844 -3.210 1.00 0.00 N ATOM 358 CD2 HIS A 21 -9.390 -4.210 -1.510 1.00 0.00 C ATOM 359 CE1 HIS A 21 -8.731 -4.119 -3.584 1.00 0.00 C ATOM 360 NE2 HIS A 21 -9.010 -4.978 -2.592 1.00 0.00 N ATOM 0 H HIS A 21 -8.331 -0.437 -2.859 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.069 -0.716 -2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.437 -1.368 -0.669 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.020 -1.915 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.719 -4.577 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -8.437 -4.426 -4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -8.953 -5.996 -2.630 1.00 0.00 H new ATOM 368 N SER A 22 -11.230 0.845 0.098 1.00 0.00 N ATOM 369 CA SER A 22 -11.417 1.952 1.042 1.00 0.00 C ATOM 370 C SER A 22 -10.198 2.043 1.965 1.00 0.00 C ATOM 371 O SER A 22 -9.585 3.095 2.133 1.00 0.00 O ATOM 372 CB SER A 22 -12.723 1.727 1.811 1.00 0.00 C ATOM 373 OG SER A 22 -13.709 1.255 0.911 1.00 0.00 O ATOM 0 H SER A 22 -11.975 0.149 0.125 1.00 0.00 H new ATOM 0 HA SER A 22 -11.497 2.906 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.569 1.006 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.051 2.656 2.277 1.00 0.00 H new ATOM 0 HG SER A 22 -14.549 1.106 1.394 1.00 0.00 H new ATOM 379 N SER A 23 -9.911 0.947 2.661 1.00 0.00 N ATOM 380 CA SER A 23 -8.582 0.705 3.195 1.00 0.00 C ATOM 381 C SER A 23 -8.302 -0.728 2.733 1.00 0.00 C ATOM 382 O SER A 23 -9.009 -1.180 1.833 1.00 0.00 O ATOM 383 CB SER A 23 -8.599 0.935 4.706 1.00 0.00 C ATOM 384 OG SER A 23 -8.909 2.298 4.938 1.00 0.00 O ATOM 0 H SER A 23 -10.587 0.211 2.867 1.00 0.00 H new ATOM 0 HA SER A 23 -7.786 1.367 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.338 0.290 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.631 0.685 5.140 1.00 0.00 H new ATOM 0 HG SER A 23 -9.019 2.759 4.080 1.00 0.00 H new ATOM 390 N ILE A 24 -7.424 -1.515 3.356 1.00 0.00 N ATOM 391 CA ILE A 24 -7.277 -2.905 2.921 1.00 0.00 C ATOM 392 C ILE A 24 -6.837 -3.808 4.070 1.00 0.00 C ATOM 393 O ILE A 24 -5.945 -3.411 4.820 1.00 0.00 O ATOM 394 CB ILE A 24 -6.397 -2.958 1.660 1.00 0.00 C ATOM 395 CG1 ILE A 24 -6.511 -4.307 0.941 1.00 0.00 C ATOM 396 CG2 ILE A 24 -4.948 -2.610 1.996 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.076 -4.221 -0.526 1.00 0.00 C ATOM 0 H ILE A 24 -6.826 -1.231 4.132 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.243 -3.316 2.628 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.766 -2.204 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.897 -5.045 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.542 -4.658 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.344 -2.654 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.903 -1.604 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.562 -3.323 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.175 -5.201 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.707 -3.504 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.037 -3.897 -0.579 1.00 0.00 H new ATOM 409 N ASN A 25 -7.439 -4.994 4.229 1.00 0.00 N ATOM 410 CA ASN A 25 -7.004 -5.947 5.247 1.00 0.00 C ATOM 411 C ASN A 25 -5.826 -6.759 4.710 1.00 0.00 C ATOM 412 O ASN A 25 -5.614 -6.830 3.499 1.00 0.00 O ATOM 413 CB ASN A 25 -8.158 -6.803 5.795 1.00 0.00 C ATOM 414 CG ASN A 25 -8.592 -7.972 4.914 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.770 -8.720 4.392 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.898 -8.174 4.772 1.00 0.00 N ATOM 0 H ASN A 25 -8.227 -5.312 3.665 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.654 -5.397 6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.864 -7.195 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.020 -6.156 5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.235 -8.963 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.563 -7.540 5.215 1.00 0.00 H new ATOM 423 N THR A 26 -5.057 -7.379 5.604 1.00 0.00 N ATOM 424 CA THR A 26 -3.862 -8.118 5.237 1.00 0.00 C ATOM 425 C THR A 26 -4.128 -9.179 4.163 1.00 0.00 C ATOM 426 O THR A 26 -3.391 -9.259 3.186 1.00 0.00 O ATOM 427 CB THR A 26 -3.211 -8.711 6.498 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.713 -8.073 7.661 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.691 -8.527 6.450 1.00 0.00 C ATOM 0 H THR A 26 -5.251 -7.380 6.605 1.00 0.00 H new ATOM 0 HA THR A 26 -3.159 -7.421 4.781 1.00 0.00 H new ATOM 0 HB THR A 26 -3.450 -9.774 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.628 -7.102 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.245 -8.952 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.291 -9.034 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.455 -7.464 6.395 1.00 0.00 H new ATOM 437 N ASN A 27 -5.177 -9.992 4.309 1.00 0.00 N ATOM 438 CA ASN A 27 -5.473 -11.016 3.312 1.00 0.00 C ATOM 439 C ASN A 27 -5.690 -10.376 1.941 1.00 0.00 C ATOM 440 O ASN A 27 -5.097 -10.814 0.958 1.00 0.00 O ATOM 441 CB ASN A 27 -6.688 -11.855 3.725 1.00 0.00 C ATOM 442 CG ASN A 27 -7.184 -12.715 2.563 1.00 0.00 C ATOM 443 OD1 ASN A 27 -6.680 -13.807 2.325 1.00 0.00 O ATOM 444 ND2 ASN A 27 -8.175 -12.230 1.820 1.00 0.00 N ATOM 0 H ASN A 27 -5.825 -9.961 5.096 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.616 -11.687 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.423 -12.494 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.489 -11.198 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.532 -12.769 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.578 -11.319 2.039 1.00 0.00 H new ATOM 451 N GLU A 28 -6.530 -9.339 1.878 1.00 0.00 N ATOM 452 CA GLU A 28 -6.818 -8.646 0.637 1.00 0.00 C ATOM 453 C GLU A 28 -5.519 -8.121 0.038 1.00 0.00 C ATOM 454 O GLU A 28 -5.274 -8.299 -1.151 1.00 0.00 O ATOM 455 CB GLU A 28 -7.772 -7.483 0.907 1.00 0.00 C ATOM 456 CG GLU A 28 -9.165 -7.939 1.345 1.00 0.00 C ATOM 457 CD GLU A 28 -10.023 -6.745 1.756 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.515 -5.926 2.556 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.166 -6.665 1.259 1.00 0.00 O ATOM 0 H GLU A 28 -7.024 -8.964 2.688 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.287 -9.335 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.346 -6.843 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.861 -6.877 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.649 -8.477 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.079 -8.635 2.180 1.00 0.00 H new ATOM 466 N VAL A 29 -4.689 -7.478 0.866 1.00 0.00 N ATOM 467 CA VAL A 29 -3.436 -6.910 0.403 1.00 0.00 C ATOM 468 C VAL A 29 -2.546 -8.000 -0.196 1.00 0.00 C ATOM 469 O VAL A 29 -2.124 -7.878 -1.344 1.00 0.00 O ATOM 470 CB VAL A 29 -2.776 -6.055 1.512 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.541 -6.661 2.191 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.325 -4.719 0.923 1.00 0.00 C ATOM 0 H VAL A 29 -4.870 -7.342 1.861 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.620 -6.211 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.553 -5.971 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.167 -5.972 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.812 -7.606 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.765 -6.836 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.860 -4.116 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.605 -4.898 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.188 -4.189 0.521 1.00 0.00 H new ATOM 482 N ILE A 30 -2.281 -9.082 0.545 1.00 0.00 N ATOM 483 CA ILE A 30 -1.418 -10.138 0.038 1.00 0.00 C ATOM 484 C ILE A 30 -2.002 -10.727 -1.247 1.00 0.00 C ATOM 485 O ILE A 30 -1.275 -10.871 -2.230 1.00 0.00 O ATOM 486 CB ILE A 30 -1.081 -11.178 1.127 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.381 -10.452 2.298 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.176 -12.283 0.552 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.506 -11.326 3.186 1.00 0.00 C ATOM 0 H ILE A 30 -2.649 -9.242 1.483 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.452 -9.713 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.995 -11.652 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.228 -9.646 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.145 -9.989 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.053 -13.009 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.689 -12.783 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.750 -11.841 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.946 -10.715 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.095 -12.118 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.299 -11.769 2.584 1.00 0.00 H new ATOM 501 N LYS A 31 -3.302 -11.033 -1.261 1.00 0.00 N ATOM 502 CA LYS A 31 -3.955 -11.578 -2.443 1.00 0.00 C ATOM 503 C LYS A 31 -3.778 -10.634 -3.637 1.00 0.00 C ATOM 504 O LYS A 31 -3.197 -11.034 -4.644 1.00 0.00 O ATOM 505 CB LYS A 31 -5.434 -11.864 -2.145 1.00 0.00 C ATOM 506 CG LYS A 31 -5.610 -13.026 -1.153 1.00 0.00 C ATOM 507 CD LYS A 31 -5.431 -14.391 -1.833 1.00 0.00 C ATOM 508 CE LYS A 31 -5.391 -15.533 -0.810 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.608 -15.587 0.021 1.00 0.00 N ATOM 0 H LYS A 31 -3.922 -10.910 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.485 -12.525 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.902 -10.967 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.952 -12.100 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.886 -12.926 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.601 -12.972 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.249 -14.559 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.509 -14.390 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.269 -16.481 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.520 -15.410 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.725 -16.547 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.523 -14.910 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.436 -15.342 -0.559 1.00 0.00 H new ATOM 523 N GLU A 32 -4.259 -9.391 -3.533 1.00 0.00 N ATOM 524 CA GLU A 32 -4.169 -8.405 -4.604 1.00 0.00 C ATOM 525 C GLU A 32 -2.733 -8.259 -5.101 1.00 0.00 C ATOM 526 O GLU A 32 -2.489 -8.319 -6.306 1.00 0.00 O ATOM 527 CB GLU A 32 -4.689 -7.037 -4.141 1.00 0.00 C ATOM 528 CG GLU A 32 -6.175 -6.786 -4.359 1.00 0.00 C ATOM 529 CD GLU A 32 -7.109 -7.844 -3.773 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.169 -8.949 -4.356 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.790 -7.506 -2.778 1.00 0.00 O ATOM 0 H GLU A 32 -4.725 -9.043 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.792 -8.764 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.473 -6.928 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.128 -6.261 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.431 -5.819 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.361 -6.714 -5.431 1.00 0.00 H new ATOM 538 N LEU A 33 -1.781 -8.035 -4.193 1.00 0.00 N ATOM 539 CA LEU A 33 -0.393 -7.867 -4.592 1.00 0.00 C ATOM 540 C LEU A 33 0.088 -9.112 -5.342 1.00 0.00 C ATOM 541 O LEU A 33 0.600 -8.981 -6.450 1.00 0.00 O ATOM 542 CB LEU A 33 0.483 -7.511 -3.388 1.00 0.00 C ATOM 543 CG LEU A 33 0.442 -6.043 -2.972 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.910 -5.325 -3.080 1.00 0.00 C ATOM 545 CD2 LEU A 33 1.018 -5.872 -1.565 1.00 0.00 C ATOM 0 H LEU A 33 -1.948 -7.967 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.311 -7.027 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.174 -8.122 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.514 -7.780 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 33 1.061 -5.548 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.800 -4.291 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.251 -5.345 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.641 -5.829 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.982 -4.820 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.431 -6.458 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.052 -6.216 -1.551 1.00 0.00 H new ATOM 557 N SER A 34 -0.127 -10.311 -4.788 1.00 0.00 N ATOM 558 CA SER A 34 0.275 -11.554 -5.443 1.00 0.00 C ATOM 559 C SER A 34 -0.353 -11.688 -6.837 1.00 0.00 C ATOM 560 O SER A 34 0.300 -12.131 -7.778 1.00 0.00 O ATOM 561 CB SER A 34 -0.107 -12.762 -4.580 1.00 0.00 C ATOM 562 OG SER A 34 0.471 -12.674 -3.292 1.00 0.00 O ATOM 0 H SER A 34 -0.579 -10.443 -3.883 1.00 0.00 H new ATOM 0 HA SER A 34 1.358 -11.525 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.192 -12.820 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.223 -13.679 -5.068 1.00 0.00 H new ATOM 0 HG SER A 34 -0.127 -12.173 -2.699 1.00 0.00 H new ATOM 568 N LYS A 35 -1.637 -11.342 -6.963 1.00 0.00 N ATOM 569 CA LYS A 35 -2.362 -11.413 -8.224 1.00 0.00 C ATOM 570 C LYS A 35 -1.766 -10.440 -9.245 1.00 0.00 C ATOM 571 O LYS A 35 -1.532 -10.806 -10.394 1.00 0.00 O ATOM 572 CB LYS A 35 -3.844 -11.085 -7.983 1.00 0.00 C ATOM 573 CG LYS A 35 -4.577 -12.227 -7.263 1.00 0.00 C ATOM 574 CD LYS A 35 -5.845 -11.745 -6.543 1.00 0.00 C ATOM 575 CE LYS A 35 -6.843 -11.041 -7.468 1.00 0.00 C ATOM 576 NZ LYS A 35 -8.022 -10.583 -6.712 1.00 0.00 N ATOM 0 H LYS A 35 -2.202 -11.003 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.275 -12.423 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.922 -10.174 -7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.331 -10.887 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.844 -12.997 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.904 -12.688 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.335 -12.599 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.561 -11.063 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.361 -10.190 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.155 -11.722 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.629 -10.007 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.558 -11.407 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.713 -10.011 -5.900 1.00 0.00 H new ATOM 590 N THR A 36 -1.550 -9.190 -8.834 1.00 0.00 N ATOM 591 CA THR A 36 -1.063 -8.146 -9.723 1.00 0.00 C ATOM 592 C THR A 36 0.412 -8.322 -10.096 1.00 0.00 C ATOM 593 O THR A 36 0.800 -7.970 -11.210 1.00 0.00 O ATOM 594 CB THR A 36 -1.358 -6.759 -9.133 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.867 -6.644 -7.815 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.866 -6.486 -9.119 1.00 0.00 C ATOM 0 H THR A 36 -1.709 -8.878 -7.876 1.00 0.00 H new ATOM 0 HA THR A 36 -1.608 -8.234 -10.663 1.00 0.00 H new ATOM 0 HB THR A 36 -0.854 -6.029 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.480 -7.095 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.053 -5.498 -8.697 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.252 -6.525 -10.138 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.367 -7.240 -8.512 1.00 0.00 H new ATOM 604 N SER A 37 1.268 -8.784 -9.181 1.00 0.00 N ATOM 605 CA SER A 37 2.679 -9.009 -9.467 1.00 0.00 C ATOM 606 C SER A 37 3.214 -10.197 -8.670 1.00 0.00 C ATOM 607 O SER A 37 2.800 -10.438 -7.539 1.00 0.00 O ATOM 608 CB SER A 37 3.463 -7.726 -9.197 1.00 0.00 C ATOM 609 OG SER A 37 3.133 -6.747 -10.165 1.00 0.00 O ATOM 0 H SER A 37 0.999 -9.011 -8.224 1.00 0.00 H new ATOM 0 HA SER A 37 2.802 -9.264 -10.520 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.235 -7.354 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.533 -7.931 -9.224 1.00 0.00 H new ATOM 0 HG SER A 37 2.410 -7.082 -10.736 1.00 0.00 H new ATOM 615 N THR A 38 4.169 -10.928 -9.247 1.00 0.00 N ATOM 616 CA THR A 38 4.766 -12.106 -8.645 1.00 0.00 C ATOM 617 C THR A 38 5.703 -11.711 -7.499 1.00 0.00 C ATOM 618 O THR A 38 6.923 -11.783 -7.645 1.00 0.00 O ATOM 619 CB THR A 38 5.510 -12.871 -9.747 1.00 0.00 C ATOM 620 OG1 THR A 38 6.381 -11.971 -10.400 1.00 0.00 O ATOM 621 CG2 THR A 38 4.540 -13.454 -10.779 1.00 0.00 C ATOM 0 H THR A 38 4.553 -10.707 -10.166 1.00 0.00 H new ATOM 0 HA THR A 38 3.997 -12.746 -8.213 1.00 0.00 H new ATOM 0 HB THR A 38 6.058 -13.696 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.026 -11.613 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.102 -13.989 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.854 -14.142 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.973 -12.646 -11.243 1.00 0.00 H new ATOM 629 N TRP A 39 5.127 -11.275 -6.379 1.00 0.00 N ATOM 630 CA TRP A 39 5.823 -10.913 -5.155 1.00 0.00 C ATOM 631 C TRP A 39 5.369 -11.902 -4.081 1.00 0.00 C ATOM 632 O TRP A 39 4.172 -12.135 -3.929 1.00 0.00 O ATOM 633 CB TRP A 39 5.493 -9.457 -4.797 1.00 0.00 C ATOM 634 CG TRP A 39 5.913 -8.420 -5.800 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.017 -8.479 -6.579 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.251 -7.166 -6.151 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.087 -7.365 -7.388 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.020 -6.521 -7.166 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.072 -6.510 -5.731 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.643 -5.295 -7.734 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.670 -5.293 -6.316 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.455 -4.684 -7.309 1.00 0.00 C ATOM 0 H TRP A 39 4.116 -11.161 -6.302 1.00 0.00 H new ATOM 0 HA TRP A 39 6.907 -10.970 -5.258 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.416 -9.375 -4.649 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.965 -9.223 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.739 -9.282 -6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.831 -7.188 -8.063 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.470 -6.948 -4.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.259 -4.828 -8.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.750 -4.824 -5.998 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.144 -3.746 -7.745 1.00 0.00 H new ATOM 653 N SER A 40 6.312 -12.528 -3.371 1.00 0.00 N ATOM 654 CA SER A 40 5.971 -13.510 -2.348 1.00 0.00 C ATOM 655 C SER A 40 5.336 -12.813 -1.140 1.00 0.00 C ATOM 656 O SER A 40 5.490 -11.602 -0.999 1.00 0.00 O ATOM 657 CB SER A 40 7.246 -14.247 -1.912 1.00 0.00 C ATOM 658 OG SER A 40 8.081 -13.385 -1.159 1.00 0.00 O ATOM 0 H SER A 40 7.313 -12.370 -3.488 1.00 0.00 H new ATOM 0 HA SER A 40 5.256 -14.224 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.983 -15.121 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.783 -14.609 -2.789 1.00 0.00 H new ATOM 0 HG SER A 40 8.438 -12.684 -1.743 1.00 0.00 H new ATOM 664 N PRO A 41 4.672 -13.541 -0.228 1.00 0.00 N ATOM 665 CA PRO A 41 4.179 -12.961 1.010 1.00 0.00 C ATOM 666 C PRO A 41 5.294 -12.230 1.769 1.00 0.00 C ATOM 667 O PRO A 41 5.042 -11.211 2.409 1.00 0.00 O ATOM 668 CB PRO A 41 3.602 -14.132 1.808 1.00 0.00 C ATOM 669 CG PRO A 41 3.115 -15.061 0.696 1.00 0.00 C ATOM 670 CD PRO A 41 4.215 -14.916 -0.358 1.00 0.00 C ATOM 0 HA PRO A 41 3.419 -12.202 0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.354 -14.608 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.790 -13.819 2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.016 -16.090 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.141 -14.758 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.027 -15.621 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.832 -15.113 -1.359 1.00 0.00 H new ATOM 678 N LYS A 42 6.530 -12.743 1.723 1.00 0.00 N ATOM 679 CA LYS A 42 7.668 -12.091 2.358 1.00 0.00 C ATOM 680 C LYS A 42 7.940 -10.762 1.647 1.00 0.00 C ATOM 681 O LYS A 42 8.050 -9.722 2.297 1.00 0.00 O ATOM 682 CB LYS A 42 8.890 -13.019 2.333 1.00 0.00 C ATOM 683 CG LYS A 42 10.055 -12.420 3.134 1.00 0.00 C ATOM 684 CD LYS A 42 11.266 -13.360 3.100 1.00 0.00 C ATOM 685 CE LYS A 42 12.415 -12.833 3.970 1.00 0.00 C ATOM 686 NZ LYS A 42 12.915 -11.528 3.500 1.00 0.00 N ATOM 0 H LYS A 42 6.762 -13.615 1.247 1.00 0.00 H new ATOM 0 HA LYS A 42 7.448 -11.880 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.621 -13.991 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.202 -13.187 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.328 -11.449 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.747 -12.251 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.969 -14.349 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.610 -13.474 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.075 -12.740 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.231 -13.555 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.754 -11.258 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.170 -11.596 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.174 -10.808 3.622 1.00 0.00 H new ATOM 700 N THR A 43 8.051 -10.795 0.315 1.00 0.00 N ATOM 701 CA THR A 43 8.256 -9.601 -0.497 1.00 0.00 C ATOM 702 C THR A 43 7.194 -8.555 -0.145 1.00 0.00 C ATOM 703 O THR A 43 7.506 -7.397 0.118 1.00 0.00 O ATOM 704 CB THR A 43 8.172 -9.976 -1.985 1.00 0.00 C ATOM 705 OG1 THR A 43 8.992 -11.092 -2.272 1.00 0.00 O ATOM 706 CG2 THR A 43 8.562 -8.816 -2.902 1.00 0.00 C ATOM 0 H THR A 43 8.000 -11.657 -0.228 1.00 0.00 H new ATOM 0 HA THR A 43 9.241 -9.180 -0.296 1.00 0.00 H new ATOM 0 HB THR A 43 7.129 -10.226 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.048 -11.216 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.486 -9.133 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.891 -7.974 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.587 -8.513 -2.689 1.00 0.00 H new ATOM 714 N ILE A 44 5.934 -8.984 -0.124 1.00 0.00 N ATOM 715 CA ILE A 44 4.783 -8.154 0.173 1.00 0.00 C ATOM 716 C ILE A 44 4.917 -7.533 1.562 1.00 0.00 C ATOM 717 O ILE A 44 4.831 -6.315 1.699 1.00 0.00 O ATOM 718 CB ILE A 44 3.509 -8.987 -0.028 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.318 -9.204 -1.542 1.00 0.00 C ATOM 720 CG2 ILE A 44 2.319 -8.271 0.617 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.310 -10.302 -1.891 1.00 0.00 C ATOM 0 H ILE A 44 5.684 -9.953 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 44 4.721 -7.308 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 44 3.589 -9.961 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.991 -8.268 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.281 -9.454 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.416 -8.864 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.505 -8.146 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.188 -7.293 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.232 -10.393 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.644 -11.250 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.335 -10.045 -1.477 1.00 0.00 H new ATOM 733 N GLN A 45 5.139 -8.352 2.593 1.00 0.00 N ATOM 734 CA GLN A 45 5.331 -7.850 3.948 1.00 0.00 C ATOM 735 C GLN A 45 6.468 -6.826 3.975 1.00 0.00 C ATOM 736 O GLN A 45 6.340 -5.781 4.613 1.00 0.00 O ATOM 737 CB GLN A 45 5.540 -9.023 4.905 1.00 0.00 C ATOM 738 CG GLN A 45 4.199 -9.742 5.118 1.00 0.00 C ATOM 739 CD GLN A 45 4.392 -11.069 5.837 1.00 0.00 C ATOM 740 OE1 GLN A 45 4.082 -11.205 7.015 1.00 0.00 O ATOM 741 NE2 GLN A 45 4.908 -12.058 5.119 1.00 0.00 N ATOM 0 H GLN A 45 5.190 -9.367 2.511 1.00 0.00 H new ATOM 0 HA GLN A 45 4.440 -7.322 4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.277 -9.715 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.931 -8.666 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.531 -9.105 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.719 -9.914 4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.153 -11.904 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.060 -12.972 5.545 1.00 0.00 H new ATOM 750 N THR A 46 7.555 -7.096 3.246 1.00 0.00 N ATOM 751 CA THR A 46 8.659 -6.154 3.142 1.00 0.00 C ATOM 752 C THR A 46 8.158 -4.841 2.523 1.00 0.00 C ATOM 753 O THR A 46 8.404 -3.779 3.082 1.00 0.00 O ATOM 754 CB THR A 46 9.839 -6.763 2.366 1.00 0.00 C ATOM 755 OG1 THR A 46 10.165 -8.035 2.894 1.00 0.00 O ATOM 756 CG2 THR A 46 11.084 -5.878 2.473 1.00 0.00 C ATOM 0 H THR A 46 7.688 -7.961 2.722 1.00 0.00 H new ATOM 0 HA THR A 46 9.038 -5.929 4.139 1.00 0.00 H new ATOM 0 HB THR A 46 9.535 -6.846 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.476 -8.683 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.903 -6.333 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.867 -4.893 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.370 -5.778 3.520 1.00 0.00 H new ATOM 764 N MET A 47 7.443 -4.888 1.394 1.00 0.00 N ATOM 765 CA MET A 47 6.915 -3.693 0.737 1.00 0.00 C ATOM 766 C MET A 47 5.987 -2.897 1.667 1.00 0.00 C ATOM 767 O MET A 47 6.057 -1.670 1.713 1.00 0.00 O ATOM 768 CB MET A 47 6.216 -4.070 -0.577 1.00 0.00 C ATOM 769 CG MET A 47 7.238 -4.482 -1.644 1.00 0.00 C ATOM 770 SD MET A 47 6.531 -5.007 -3.226 1.00 0.00 S ATOM 771 CE MET A 47 8.058 -5.198 -4.173 1.00 0.00 C ATOM 0 H MET A 47 7.215 -5.757 0.912 1.00 0.00 H new ATOM 0 HA MET A 47 7.754 -3.039 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.519 -4.889 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.630 -3.225 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.909 -3.642 -1.825 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.845 -5.296 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.817 -5.364 -5.223 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.661 -4.295 -4.077 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.619 -6.051 -3.791 1.00 0.00 H new ATOM 781 N LEU A 48 5.119 -3.583 2.412 1.00 0.00 N ATOM 782 CA LEU A 48 4.213 -2.950 3.363 1.00 0.00 C ATOM 783 C LEU A 48 5.033 -2.237 4.443 1.00 0.00 C ATOM 784 O LEU A 48 4.867 -1.038 4.675 1.00 0.00 O ATOM 785 CB LEU A 48 3.281 -4.017 3.954 1.00 0.00 C ATOM 786 CG LEU A 48 2.273 -4.515 2.902 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.817 -5.943 3.203 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.036 -3.615 2.847 1.00 0.00 C ATOM 0 H LEU A 48 5.027 -4.598 2.370 1.00 0.00 H new ATOM 0 HA LEU A 48 3.593 -2.201 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.871 -4.856 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.745 -3.604 4.809 1.00 0.00 H new ATOM 0 HG LEU A 48 2.787 -4.489 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.106 -6.266 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.680 -6.609 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.340 -5.974 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.344 -3.993 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.546 -3.610 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.336 -2.600 2.586 1.00 0.00 H new ATOM 800 N LEU A 49 5.940 -2.980 5.086 1.00 0.00 N ATOM 801 CA LEU A 49 6.850 -2.447 6.092 1.00 0.00 C ATOM 802 C LEU A 49 7.585 -1.226 5.535 1.00 0.00 C ATOM 803 O LEU A 49 7.708 -0.208 6.219 1.00 0.00 O ATOM 804 CB LEU A 49 7.805 -3.559 6.551 1.00 0.00 C ATOM 805 CG LEU A 49 8.796 -3.096 7.634 1.00 0.00 C ATOM 806 CD1 LEU A 49 9.035 -4.234 8.632 1.00 0.00 C ATOM 807 CD2 LEU A 49 10.144 -2.685 7.025 1.00 0.00 C ATOM 0 H LEU A 49 6.060 -3.979 4.917 1.00 0.00 H new ATOM 0 HA LEU A 49 6.296 -2.109 6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.221 -4.395 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.363 -3.928 5.691 1.00 0.00 H new ATOM 0 HG LEU A 49 8.361 -2.231 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.737 -3.905 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.091 -4.512 9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.448 -5.096 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.819 -2.364 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.580 -3.535 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.991 -1.864 6.324 1.00 0.00 H new ATOM 819 N ARG A 50 8.065 -1.326 4.290 1.00 0.00 N ATOM 820 CA ARG A 50 8.724 -0.230 3.618 1.00 0.00 C ATOM 821 C ARG A 50 7.768 0.955 3.571 1.00 0.00 C ATOM 822 O ARG A 50 8.083 1.941 4.213 1.00 0.00 O ATOM 823 CB ARG A 50 9.226 -0.634 2.226 1.00 0.00 C ATOM 824 CG ARG A 50 10.477 -1.523 2.265 1.00 0.00 C ATOM 825 CD ARG A 50 11.751 -0.735 2.592 1.00 0.00 C ATOM 826 NE ARG A 50 12.943 -1.590 2.506 1.00 0.00 N ATOM 827 CZ ARG A 50 13.311 -2.502 3.419 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.573 -2.701 4.517 1.00 0.00 N ATOM 829 NH2 ARG A 50 14.423 -3.216 3.224 1.00 0.00 N ATOM 0 H ARG A 50 8.001 -2.176 3.730 1.00 0.00 H new ATOM 0 HA ARG A 50 9.615 0.058 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.430 -1.161 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.446 0.266 1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.338 -2.307 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.597 -2.017 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.851 0.103 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.674 -0.314 3.595 1.00 0.00 H new ATOM 0 HE ARG A 50 13.539 -1.481 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.723 -2.157 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.860 -3.396 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.985 -3.066 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.710 -3.911 3.913 1.00 0.00 H new ATOM 843 N LEU A 51 6.603 0.870 2.916 1.00 0.00 N ATOM 844 CA LEU A 51 5.651 1.987 2.825 1.00 0.00 C ATOM 845 C LEU A 51 5.373 2.672 4.171 1.00 0.00 C ATOM 846 O LEU A 51 5.150 3.886 4.225 1.00 0.00 O ATOM 847 CB LEU A 51 4.338 1.528 2.175 1.00 0.00 C ATOM 848 CG LEU A 51 4.372 1.658 0.645 1.00 0.00 C ATOM 849 CD1 LEU A 51 3.250 0.826 0.019 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.176 3.128 0.240 1.00 0.00 C ATOM 0 H LEU A 51 6.293 0.026 2.434 1.00 0.00 H new ATOM 0 HA LEU A 51 6.127 2.737 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.144 0.490 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.512 2.120 2.570 1.00 0.00 H new ATOM 0 HG LEU A 51 5.338 1.299 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.285 0.926 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.379 -0.222 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.287 1.180 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.201 3.213 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.213 3.482 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.974 3.733 0.670 1.00 0.00 H new ATOM 862 N ILE A 52 5.349 1.904 5.261 1.00 0.00 N ATOM 863 CA ILE A 52 5.141 2.473 6.585 1.00 0.00 C ATOM 864 C ILE A 52 6.313 3.393 6.956 1.00 0.00 C ATOM 865 O ILE A 52 6.109 4.568 7.252 1.00 0.00 O ATOM 866 CB ILE A 52 4.888 1.346 7.603 1.00 0.00 C ATOM 867 CG1 ILE A 52 3.528 0.703 7.284 1.00 0.00 C ATOM 868 CG2 ILE A 52 4.891 1.885 9.043 1.00 0.00 C ATOM 869 CD1 ILE A 52 3.361 -0.686 7.902 1.00 0.00 C ATOM 0 H ILE A 52 5.471 0.891 5.250 1.00 0.00 H new ATOM 0 HA ILE A 52 4.251 3.102 6.593 1.00 0.00 H new ATOM 0 HB ILE A 52 5.686 0.608 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.732 1.353 7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.412 0.629 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.710 1.066 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.858 2.338 9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.107 2.634 9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.381 -1.085 7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.137 -1.350 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.446 -0.614 8.986 1.00 0.00 H new ATOM 881 N LYS A 53 7.546 2.880 6.922 1.00 0.00 N ATOM 882 CA LYS A 53 8.726 3.669 7.275 1.00 0.00 C ATOM 883 C LYS A 53 8.995 4.773 6.241 1.00 0.00 C ATOM 884 O LYS A 53 9.390 5.893 6.567 1.00 0.00 O ATOM 885 CB LYS A 53 9.936 2.738 7.419 1.00 0.00 C ATOM 886 CG LYS A 53 9.727 1.769 8.589 1.00 0.00 C ATOM 887 CD LYS A 53 10.952 0.866 8.771 1.00 0.00 C ATOM 888 CE LYS A 53 10.739 -0.078 9.960 1.00 0.00 C ATOM 889 NZ LYS A 53 11.922 -0.925 10.195 1.00 0.00 N ATOM 0 H LYS A 53 7.752 1.918 6.652 1.00 0.00 H new ATOM 0 HA LYS A 53 8.543 4.166 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.084 2.177 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.839 3.327 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.544 2.331 9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.843 1.158 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.125 0.287 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.841 1.475 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.524 0.505 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.870 -0.709 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.745 -1.552 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.112 -1.499 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.746 -0.323 10.396 1.00 0.00 H new ATOM 903 N LYS A 54 8.734 4.455 4.978 1.00 0.00 N ATOM 904 CA LYS A 54 8.919 5.235 3.782 1.00 0.00 C ATOM 905 C LYS A 54 7.911 6.375 3.645 1.00 0.00 C ATOM 906 O LYS A 54 7.541 6.738 2.533 1.00 0.00 O ATOM 907 CB LYS A 54 8.958 4.303 2.568 1.00 0.00 C ATOM 908 CG LYS A 54 10.214 3.416 2.540 1.00 0.00 C ATOM 909 CD LYS A 54 11.460 4.203 2.105 1.00 0.00 C ATOM 910 CE LYS A 54 12.666 3.282 1.889 1.00 0.00 C ATOM 911 NZ LYS A 54 13.072 2.606 3.134 1.00 0.00 N ATOM 0 H LYS A 54 8.344 3.539 4.754 1.00 0.00 H new ATOM 0 HA LYS A 54 9.880 5.745 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.071 3.669 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.919 4.899 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.380 2.990 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.054 2.582 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.245 4.744 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.702 4.948 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.422 2.535 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.503 3.864 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.921 2.032 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.281 3.318 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.301 1.990 3.462 1.00 0.00 H new ATOM 925 N GLY A 55 7.366 6.899 4.740 1.00 0.00 N ATOM 926 CA GLY A 55 6.607 8.130 4.634 1.00 0.00 C ATOM 927 C GLY A 55 5.170 7.994 4.129 1.00 0.00 C ATOM 928 O GLY A 55 4.608 9.031 3.786 1.00 0.00 O ATOM 0 H GLY A 55 7.434 6.503 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.582 8.603 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.142 8.806 3.968 1.00 0.00 H new ATOM 932 N ALA A 56 4.547 6.802 4.087 1.00 0.00 N ATOM 933 CA ALA A 56 3.239 6.689 3.431 1.00 0.00 C ATOM 934 C ALA A 56 2.122 5.974 4.190 1.00 0.00 C ATOM 935 O ALA A 56 0.972 6.394 4.068 1.00 0.00 O ATOM 936 CB ALA A 56 3.445 5.997 2.088 1.00 0.00 C ATOM 0 H ALA A 56 4.913 5.937 4.484 1.00 0.00 H new ATOM 0 HA ALA A 56 2.880 7.715 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.487 5.900 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.124 6.589 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.872 5.007 2.250 1.00 0.00 H new ATOM 942 N LEU A 57 2.401 4.880 4.903 1.00 0.00 N ATOM 943 CA LEU A 57 1.345 4.061 5.508 1.00 0.00 C ATOM 944 C LEU A 57 1.360 3.980 7.036 1.00 0.00 C ATOM 945 O LEU A 57 2.364 4.250 7.688 1.00 0.00 O ATOM 946 CB LEU A 57 1.418 2.646 4.912 1.00 0.00 C ATOM 947 CG LEU A 57 0.194 2.290 4.062 1.00 0.00 C ATOM 948 CD1 LEU A 57 0.054 3.139 2.790 1.00 0.00 C ATOM 949 CD2 LEU A 57 0.296 0.817 3.660 1.00 0.00 C ATOM 0 H LEU A 57 3.347 4.540 5.076 1.00 0.00 H new ATOM 0 HA LEU A 57 0.407 4.562 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.316 2.562 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.515 1.922 5.721 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.687 2.492 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.835 2.828 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.037 4.190 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.934 3.002 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.568 0.545 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.208 0.659 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.321 0.196 4.556 1.00 0.00 H new ATOM 961 N ASN A 58 0.210 3.572 7.581 1.00 0.00 N ATOM 962 CA ASN A 58 -0.054 3.263 8.979 1.00 0.00 C ATOM 963 C ASN A 58 -0.969 2.034 8.959 1.00 0.00 C ATOM 964 O ASN A 58 -1.635 1.819 7.945 1.00 0.00 O ATOM 965 CB ASN A 58 -0.739 4.454 9.661 1.00 0.00 C ATOM 966 CG ASN A 58 -1.241 4.071 11.051 1.00 0.00 C ATOM 967 OD1 ASN A 58 -0.483 4.099 12.012 1.00 0.00 O ATOM 968 ND2 ASN A 58 -2.502 3.664 11.167 1.00 0.00 N ATOM 0 H ASN A 58 -0.622 3.441 7.006 1.00 0.00 H new ATOM 0 HA ASN A 58 0.860 3.065 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.039 5.285 9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.574 4.797 9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.860 3.365 12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.111 3.651 10.349 1.00 0.00 H new ATOM 975 N HIS A 59 -1.000 1.209 10.011 1.00 0.00 N ATOM 976 CA HIS A 59 -1.910 0.069 10.072 1.00 0.00 C ATOM 977 C HIS A 59 -2.578 -0.020 11.444 1.00 0.00 C ATOM 978 O HIS A 59 -2.083 0.561 12.409 1.00 0.00 O ATOM 979 CB HIS A 59 -1.207 -1.232 9.661 1.00 0.00 C ATOM 980 CG HIS A 59 -0.403 -1.893 10.747 1.00 0.00 C ATOM 981 ND1 HIS A 59 -1.013 -2.678 11.725 1.00 0.00 N ATOM 982 CD2 HIS A 59 0.952 -1.919 10.936 1.00 0.00 C ATOM 983 CE1 HIS A 59 -0.006 -3.128 12.478 1.00 0.00 C ATOM 984 NE2 HIS A 59 1.192 -2.704 12.046 1.00 0.00 N ATOM 0 H HIS A 59 -0.403 1.313 10.831 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.707 0.224 9.345 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.959 -1.937 9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.547 -1.020 8.820 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.694 -1.419 10.331 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.141 -3.764 13.341 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.100 -2.919 12.457 1.00 0.00 H new ATOM 992 N HIS A 60 -3.718 -0.713 11.504 1.00 0.00 N ATOM 993 CA HIS A 60 -4.510 -0.951 12.701 1.00 0.00 C ATOM 994 C HIS A 60 -4.801 -2.449 12.797 1.00 0.00 C ATOM 995 O HIS A 60 -5.047 -3.090 11.778 1.00 0.00 O ATOM 996 CB HIS A 60 -5.818 -0.157 12.615 1.00 0.00 C ATOM 997 CG HIS A 60 -6.804 -0.552 13.683 1.00 0.00 C ATOM 998 ND1 HIS A 60 -7.753 -1.548 13.455 1.00 0.00 N ATOM 999 CD2 HIS A 60 -6.900 -0.139 14.985 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -8.394 -1.686 14.618 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -7.920 -0.864 15.568 1.00 0.00 N ATOM 0 H HIS A 60 -4.129 -1.142 10.675 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.967 -0.627 13.589 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.600 0.907 12.702 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.269 -0.310 11.634 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.292 0.613 15.466 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.204 -2.382 14.777 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.249 -0.790 16.531 1.00 0.00 H new ATOM 1009 N LYS A 61 -4.786 -3.007 14.011 1.00 0.00 N ATOM 1010 CA LYS A 61 -5.045 -4.421 14.248 1.00 0.00 C ATOM 1011 C LYS A 61 -6.554 -4.684 14.347 1.00 0.00 C ATOM 1012 O LYS A 61 -7.163 -4.505 15.402 1.00 0.00 O ATOM 1013 CB LYS A 61 -4.261 -4.919 15.476 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.362 -4.036 16.730 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.687 -4.746 17.912 1.00 0.00 C ATOM 1016 CE LYS A 61 -3.693 -3.883 19.180 1.00 0.00 C ATOM 1017 NZ LYS A 61 -5.060 -3.622 19.665 1.00 0.00 N ATOM 0 H LYS A 61 -4.591 -2.480 14.862 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.685 -5.000 13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.613 -5.919 15.728 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.210 -5.011 15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.884 -3.073 16.549 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.408 -3.834 16.962 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.201 -5.687 18.111 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.659 -4.994 17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.121 -4.383 19.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.194 -2.936 18.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.016 -3.108 20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.573 -3.049 18.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.557 -4.525 19.804 1.00 0.00 H new ATOM 1031 N GLU A 62 -7.168 -5.149 13.257 1.00 0.00 N ATOM 1032 CA GLU A 62 -8.584 -5.469 13.228 1.00 0.00 C ATOM 1033 C GLU A 62 -8.726 -6.911 13.722 1.00 0.00 C ATOM 1034 O GLU A 62 -8.963 -7.847 12.955 1.00 0.00 O ATOM 1035 CB GLU A 62 -9.098 -5.267 11.796 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.616 -5.451 11.662 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.063 -5.269 10.214 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -10.628 -6.089 9.376 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -11.822 -4.307 9.969 1.00 0.00 O ATOM 0 H GLU A 62 -6.690 -5.312 12.371 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.182 -4.825 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.830 -4.266 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.594 -5.971 11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.898 -6.444 12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.131 -4.731 12.299 1.00 0.00 H new ATOM 1046 N GLY A 63 -8.620 -7.056 15.045 1.00 0.00 N ATOM 1047 CA GLY A 63 -8.749 -8.311 15.769 1.00 0.00 C ATOM 1048 C GLY A 63 -7.740 -9.375 15.329 1.00 0.00 C ATOM 1049 O GLY A 63 -6.761 -9.628 16.026 1.00 0.00 O ATOM 0 H GLY A 63 -8.434 -6.265 15.662 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.624 -8.121 16.835 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.758 -8.699 15.631 1.00 0.00 H new ATOM 1053 N ARG A 64 -8.005 -10.013 14.187 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.206 -11.094 13.627 1.00 0.00 C ATOM 1055 C ARG A 64 -6.274 -10.592 12.523 1.00 0.00 C ATOM 1056 O ARG A 64 -5.114 -10.992 12.470 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.146 -12.183 13.100 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.356 -13.399 12.594 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.288 -14.593 12.389 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.305 -14.313 11.366 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.299 -15.148 11.034 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.418 -16.332 11.645 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.173 -14.790 10.088 1.00 0.00 N ATOM 0 H ARG A 64 -8.812 -9.779 13.609 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.570 -11.508 14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.828 -12.493 13.891 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.757 -11.780 12.292 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.859 -13.153 11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.576 -13.657 13.310 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.704 -15.465 12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.777 -14.840 13.331 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.251 -13.421 10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.750 -16.603 12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.176 -16.964 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.081 -13.886 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.932 -15.421 9.830 1.00 0.00 H new ATOM 1077 N VAL A 65 -6.788 -9.750 11.623 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.031 -9.211 10.500 1.00 0.00 C ATOM 1079 C VAL A 65 -5.674 -7.764 10.813 1.00 0.00 C ATOM 1080 O VAL A 65 -6.315 -7.142 11.656 1.00 0.00 O ATOM 1081 CB VAL A 65 -6.842 -9.335 9.195 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -7.058 -10.809 8.835 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.201 -8.623 9.263 1.00 0.00 C ATOM 0 H VAL A 65 -7.753 -9.422 11.658 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.112 -9.778 10.353 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.253 -8.842 8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.632 -10.878 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.092 -11.296 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.603 -11.304 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.724 -8.746 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.798 -9.055 10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.046 -7.562 9.457 1.00 0.00 H new ATOM 1093 N PHE A 66 -4.652 -7.215 10.157 1.00 0.00 N ATOM 1094 CA PHE A 66 -4.261 -5.827 10.340 1.00 0.00 C ATOM 1095 C PHE A 66 -4.586 -5.057 9.064 1.00 0.00 C ATOM 1096 O PHE A 66 -4.160 -5.437 7.971 1.00 0.00 O ATOM 1097 CB PHE A 66 -2.818 -5.676 10.842 1.00 0.00 C ATOM 1098 CG PHE A 66 -1.724 -6.481 10.164 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -1.649 -7.873 10.378 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -0.610 -5.808 9.628 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.509 -8.594 9.981 1.00 0.00 C ATOM 1102 CE2 PHE A 66 0.559 -6.519 9.304 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.598 -7.916 9.446 1.00 0.00 C ATOM 0 H PHE A 66 -4.076 -7.723 9.486 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.842 -5.380 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.549 -4.622 10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.808 -5.931 11.902 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.472 -8.388 10.850 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.653 -4.741 9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.485 -9.668 10.088 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.429 -5.990 8.945 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.477 -8.467 9.145 1.00 0.00 H new ATOM 1113 N VAL A 67 -5.412 -4.020 9.211 1.00 0.00 N ATOM 1114 CA VAL A 67 -5.882 -3.173 8.132 1.00 0.00 C ATOM 1115 C VAL A 67 -4.870 -2.061 7.918 1.00 0.00 C ATOM 1116 O VAL A 67 -4.433 -1.439 8.883 1.00 0.00 O ATOM 1117 CB VAL A 67 -7.281 -2.624 8.465 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -7.758 -1.593 7.432 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -8.300 -3.770 8.508 1.00 0.00 C ATOM 0 H VAL A 67 -5.781 -3.743 10.121 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.974 -3.743 7.207 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.206 -2.136 9.437 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.749 -1.233 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.062 -0.755 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.802 -2.058 6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.286 -3.371 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.332 -4.265 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.007 -4.489 9.273 1.00 0.00 H new ATOM 1129 N TYR A 68 -4.525 -1.792 6.659 1.00 0.00 N ATOM 1130 CA TYR A 68 -3.575 -0.757 6.302 1.00 0.00 C ATOM 1131 C TYR A 68 -4.350 0.497 5.922 1.00 0.00 C ATOM 1132 O TYR A 68 -5.176 0.474 5.010 1.00 0.00 O ATOM 1133 CB TYR A 68 -2.701 -1.228 5.141 1.00 0.00 C ATOM 1134 CG TYR A 68 -1.792 -2.377 5.516 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -0.600 -2.122 6.217 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -2.169 -3.700 5.228 1.00 0.00 C ATOM 1137 CE1 TYR A 68 0.226 -3.188 6.610 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -1.323 -4.761 5.590 1.00 0.00 C ATOM 1139 CZ TYR A 68 -0.129 -4.505 6.285 1.00 0.00 C ATOM 1140 OH TYR A 68 0.746 -5.513 6.550 1.00 0.00 O ATOM 0 H TYR A 68 -4.904 -2.295 5.857 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.920 -0.538 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.340 -1.533 4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.096 -0.393 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.319 -1.106 6.453 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.106 -3.900 4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.134 -2.993 7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.591 -5.775 5.334 1.00 0.00 H new ATOM 0 HH TYR A 68 0.554 -5.889 7.434 1.00 0.00 H new ATOM 1150 N THR A 69 -4.077 1.577 6.650 1.00 0.00 N ATOM 1151 CA THR A 69 -4.656 2.892 6.480 1.00 0.00 C ATOM 1152 C THR A 69 -3.592 3.751 5.791 1.00 0.00 C ATOM 1153 O THR A 69 -2.570 4.043 6.421 1.00 0.00 O ATOM 1154 CB THR A 69 -4.985 3.451 7.874 1.00 0.00 C ATOM 1155 OG1 THR A 69 -3.855 3.321 8.719 1.00 0.00 O ATOM 1156 CG2 THR A 69 -6.151 2.691 8.513 1.00 0.00 C ATOM 0 H THR A 69 -3.405 1.548 7.417 1.00 0.00 H new ATOM 0 HA THR A 69 -5.569 2.876 5.885 1.00 0.00 H new ATOM 0 HB THR A 69 -5.260 4.499 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.037 3.445 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.361 3.108 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.035 2.785 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.887 1.638 8.614 1.00 0.00 H new ATOM 1164 N PRO A 70 -3.760 4.131 4.518 1.00 0.00 N ATOM 1165 CA PRO A 70 -2.768 4.943 3.846 1.00 0.00 C ATOM 1166 C PRO A 70 -2.835 6.372 4.396 1.00 0.00 C ATOM 1167 O PRO A 70 -3.917 6.930 4.556 1.00 0.00 O ATOM 1168 CB PRO A 70 -3.098 4.833 2.355 1.00 0.00 C ATOM 1169 CG PRO A 70 -4.607 4.665 2.369 1.00 0.00 C ATOM 1170 CD PRO A 70 -4.874 3.839 3.631 1.00 0.00 C ATOM 0 HA PRO A 70 -1.741 4.617 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.793 5.723 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.599 3.983 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.116 5.628 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.960 4.153 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.824 4.114 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.927 2.775 3.402 1.00 0.00 H new ATOM 1178 N ASN A 71 -1.678 6.956 4.716 1.00 0.00 N ATOM 1179 CA ASN A 71 -1.592 8.298 5.282 1.00 0.00 C ATOM 1180 C ASN A 71 -1.966 9.345 4.239 1.00 0.00 C ATOM 1181 O ASN A 71 -2.565 10.368 4.566 1.00 0.00 O ATOM 1182 CB ASN A 71 -0.176 8.539 5.799 1.00 0.00 C ATOM 1183 CG ASN A 71 -0.057 9.663 6.832 1.00 0.00 C ATOM 1184 OD1 ASN A 71 0.713 9.541 7.778 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.793 10.764 6.695 1.00 0.00 N ATOM 0 H ASN A 71 -0.772 6.506 4.588 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.296 8.383 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.197 7.615 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.471 8.771 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.719 11.515 7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.431 10.856 5.904 1.00 0.00 H new ATOM 1192 N ILE A 72 -1.545 9.098 3.000 1.00 0.00 N ATOM 1193 CA ILE A 72 -1.777 9.958 1.845 1.00 0.00 C ATOM 1194 C ILE A 72 -2.720 9.284 0.837 1.00 0.00 C ATOM 1195 O ILE A 72 -2.914 8.069 0.877 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.442 10.385 1.203 1.00 0.00 C ATOM 1197 CG1 ILE A 72 0.217 9.300 0.332 1.00 0.00 C ATOM 1198 CG2 ILE A 72 0.546 10.947 2.236 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.441 7.937 0.992 1.00 0.00 C ATOM 0 H ILE A 72 -1.012 8.260 2.766 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.274 10.867 2.185 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.710 11.190 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.400 9.153 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.181 9.676 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.471 11.234 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.109 11.821 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.760 10.186 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.911 7.260 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.089 8.055 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.517 7.524 1.308 1.00 0.00 H new ATOM 1211 N ASP A 73 -3.317 10.077 -0.060 1.00 0.00 N ATOM 1212 CA ASP A 73 -4.219 9.616 -1.116 1.00 0.00 C ATOM 1213 C ASP A 73 -3.489 9.654 -2.465 1.00 0.00 C ATOM 1214 O ASP A 73 -2.461 10.322 -2.572 1.00 0.00 O ATOM 1215 CB ASP A 73 -5.472 10.504 -1.130 1.00 0.00 C ATOM 1216 CG ASP A 73 -6.492 10.081 -2.186 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -6.600 8.857 -2.422 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -7.128 10.992 -2.756 1.00 0.00 O ATOM 0 H ASP A 73 -3.180 11.088 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.529 8.588 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.942 10.475 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.176 11.537 -1.312 1.00 0.00 H new ATOM 1223 N GLU A 74 -4.036 8.974 -3.484 1.00 0.00 N ATOM 1224 CA GLU A 74 -3.499 8.883 -4.843 1.00 0.00 C ATOM 1225 C GLU A 74 -2.850 10.191 -5.296 1.00 0.00 C ATOM 1226 O GLU A 74 -1.668 10.211 -5.637 1.00 0.00 O ATOM 1227 CB GLU A 74 -4.599 8.472 -5.838 1.00 0.00 C ATOM 1228 CG GLU A 74 -5.169 7.081 -5.541 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.982 6.524 -6.706 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -5.341 6.047 -7.669 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -7.226 6.574 -6.611 1.00 0.00 O ATOM 0 H GLU A 74 -4.904 8.450 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.725 8.116 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.405 9.205 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.193 8.486 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.351 6.397 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.799 7.132 -4.653 1.00 0.00 H new ATOM 1238 N SER A 75 -3.628 11.277 -5.255 1.00 0.00 N ATOM 1239 CA SER A 75 -3.259 12.629 -5.637 1.00 0.00 C ATOM 1240 C SER A 75 -1.880 13.078 -5.154 1.00 0.00 C ATOM 1241 O SER A 75 -1.250 13.914 -5.798 1.00 0.00 O ATOM 1242 CB SER A 75 -4.355 13.554 -5.113 1.00 0.00 C ATOM 1243 OG SER A 75 -5.614 13.018 -5.478 1.00 0.00 O ATOM 0 H SER A 75 -4.594 11.223 -4.932 1.00 0.00 H new ATOM 0 HA SER A 75 -3.177 12.666 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.284 13.648 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.236 14.555 -5.528 1.00 0.00 H new ATOM 0 HG SER A 75 -5.858 13.335 -6.373 1.00 0.00 H new ATOM 1249 N ASP A 76 -1.412 12.549 -4.022 1.00 0.00 N ATOM 1250 CA ASP A 76 -0.101 12.876 -3.493 1.00 0.00 C ATOM 1251 C ASP A 76 1.009 12.529 -4.494 1.00 0.00 C ATOM 1252 O ASP A 76 2.008 13.239 -4.553 1.00 0.00 O ATOM 1253 CB ASP A 76 0.092 12.149 -2.163 1.00 0.00 C ATOM 1254 CG ASP A 76 1.403 12.548 -1.502 1.00 0.00 C ATOM 1255 OD1 ASP A 76 1.387 13.548 -0.753 1.00 0.00 O ATOM 1256 OD2 ASP A 76 2.396 11.838 -1.753 1.00 0.00 O ATOM 0 H ASP A 76 -1.935 11.884 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.039 13.951 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.739 12.379 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.079 11.072 -2.329 1.00 0.00 H new ATOM 1261 N TYR A 77 0.839 11.454 -5.274 1.00 0.00 N ATOM 1262 CA TYR A 77 1.813 11.004 -6.267 1.00 0.00 C ATOM 1263 C TYR A 77 1.219 10.955 -7.680 1.00 0.00 C ATOM 1264 O TYR A 77 1.869 11.399 -8.625 1.00 0.00 O ATOM 1265 CB TYR A 77 2.397 9.641 -5.857 1.00 0.00 C ATOM 1266 CG TYR A 77 3.854 9.674 -5.426 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.240 10.407 -4.289 1.00 0.00 C ATOM 1268 CD2 TYR A 77 4.825 8.952 -6.146 1.00 0.00 C ATOM 1269 CE1 TYR A 77 5.576 10.390 -3.851 1.00 0.00 C ATOM 1270 CE2 TYR A 77 6.157 8.919 -5.700 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.528 9.629 -4.548 1.00 0.00 C ATOM 1272 OH TYR A 77 7.815 9.579 -4.100 1.00 0.00 O ATOM 0 H TYR A 77 0.007 10.866 -5.229 1.00 0.00 H new ATOM 0 HA TYR A 77 2.621 11.735 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.800 9.237 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.297 8.952 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.506 10.986 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.545 8.422 -7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.869 10.960 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.895 8.348 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 77 8.124 8.649 -4.097 1.00 0.00 H new ATOM 1282 N ILE A 78 0.026 10.373 -7.842 1.00 0.00 N ATOM 1283 CA ILE A 78 -0.661 10.228 -9.121 1.00 0.00 C ATOM 1284 C ILE A 78 -2.038 10.884 -9.028 1.00 0.00 C ATOM 1285 O ILE A 78 -2.910 10.395 -8.311 1.00 0.00 O ATOM 1286 CB ILE A 78 -0.777 8.737 -9.495 1.00 0.00 C ATOM 1287 CG1 ILE A 78 0.595 8.060 -9.662 1.00 0.00 C ATOM 1288 CG2 ILE A 78 -1.615 8.539 -10.767 1.00 0.00 C ATOM 1289 CD1 ILE A 78 1.394 8.542 -10.879 1.00 0.00 C ATOM 0 H ILE A 78 -0.500 9.980 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.090 10.723 -9.906 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.285 8.257 -8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.185 8.235 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.448 6.983 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.676 7.476 -11.001 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.619 8.933 -10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.146 9.067 -11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.347 8.014 -10.921 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.828 8.342 -11.789 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.576 9.613 -10.794 1.00 0.00 H new ATOM 1301 N GLU A 79 -2.258 11.972 -9.771 1.00 0.00 N ATOM 1302 CA GLU A 79 -3.552 12.629 -9.769 1.00 0.00 C ATOM 1303 C GLU A 79 -4.545 11.789 -10.572 1.00 0.00 C ATOM 1304 O GLU A 79 -4.586 11.866 -11.800 1.00 0.00 O ATOM 1305 CB GLU A 79 -3.435 14.070 -10.270 1.00 0.00 C ATOM 1306 CG GLU A 79 -4.732 14.842 -9.987 1.00 0.00 C ATOM 1307 CD GLU A 79 -5.017 15.000 -8.494 1.00 0.00 C ATOM 1308 OE1 GLU A 79 -4.424 15.922 -7.896 1.00 0.00 O ATOM 1309 OE2 GLU A 79 -5.799 14.177 -7.967 1.00 0.00 O ATOM 0 H GLU A 79 -1.559 12.407 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.932 12.701 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.596 14.565 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.228 14.074 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.669 15.829 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.567 14.324 -10.458 1.00 0.00 H new ATOM 1316 N VAL A 80 -5.358 11.010 -9.859 1.00 0.00 N ATOM 1317 CA VAL A 80 -6.365 10.144 -10.448 1.00 0.00 C ATOM 1318 C VAL A 80 -7.515 11.011 -10.968 1.00 0.00 C ATOM 1319 O VAL A 80 -7.781 12.086 -10.430 1.00 0.00 O ATOM 1320 CB VAL A 80 -6.822 9.110 -9.400 1.00 0.00 C ATOM 1321 CG1 VAL A 80 -7.539 9.757 -8.204 1.00 0.00 C ATOM 1322 CG2 VAL A 80 -7.724 8.037 -10.023 1.00 0.00 C ATOM 0 H VAL A 80 -5.331 10.966 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.963 9.586 -11.294 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.911 8.639 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.839 8.983 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.865 10.457 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.423 10.290 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.027 7.325 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.609 8.509 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.178 7.513 -10.808 1.00 0.00 H new ATOM 1332 N LYS A 81 -8.165 10.566 -12.046 1.00 0.00 N ATOM 1333 CA LYS A 81 -9.261 11.265 -12.698 1.00 0.00 C ATOM 1334 C LYS A 81 -10.257 10.214 -13.185 1.00 0.00 C ATOM 1335 O LYS A 81 -9.926 9.027 -13.218 1.00 0.00 O ATOM 1336 CB LYS A 81 -8.729 12.100 -13.876 1.00 0.00 C ATOM 1337 CG LYS A 81 -7.574 13.020 -13.456 1.00 0.00 C ATOM 1338 CD LYS A 81 -7.130 13.925 -14.609 1.00 0.00 C ATOM 1339 CE LYS A 81 -5.931 14.788 -14.194 1.00 0.00 C ATOM 1340 NZ LYS A 81 -4.733 13.976 -13.904 1.00 0.00 N ATOM 0 H LYS A 81 -7.932 9.682 -12.498 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.750 11.949 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.391 11.433 -14.669 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.539 12.701 -14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.885 13.633 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.731 12.417 -13.120 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.864 13.316 -15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.957 14.566 -14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.703 15.497 -14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.194 15.372 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.912 14.602 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.888 13.427 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.554 13.326 -14.696 1.00 0.00 H new ATOM 1354 N SER A 82 -11.458 10.646 -13.562 1.00 0.00 N ATOM 1355 CA SER A 82 -12.530 9.801 -14.044 1.00 0.00 C ATOM 1356 C SER A 82 -13.509 10.740 -14.735 1.00 0.00 C ATOM 1357 O SER A 82 -13.841 11.735 -14.049 1.00 0.00 O ATOM 1358 CB SER A 82 -13.217 9.134 -12.849 1.00 0.00 C ATOM 1359 OG SER A 82 -13.589 10.135 -11.918 1.00 0.00 O ATOM 1360 OXT SER A 82 -13.895 10.457 -15.888 1.00 0.00 O ATOM 0 H SER A 82 -11.714 11.633 -13.536 1.00 0.00 H new ATOM 0 HA SER A 82 -12.172 9.021 -14.716 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.096 8.581 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.545 8.414 -12.381 1.00 0.00 H new ATOM 0 HG SER A 82 -13.764 10.974 -12.393 1.00 0.00 H new TER 1366 SER A 82