USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 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 58 ASN : amide:sc= 0.956 K(o=2.7,f=0.41) USER MOD Set 1.2: A 69 THR OG1 : rot 32:sc= 1.73 USER MOD Set 2.1: A 40 SER OG : rot -66:sc= 1.72 USER MOD Set 2.2: A 43 THR OG1 : rot -160:sc= 1.16 USER MOD Set 3.1: A 36 THR OG1 : rot -81:sc= 1.04 USER MOD Set 3.2: A 37 SER OG : rot 170:sc= 0 USER MOD Set 4.1: A 26 THR OG1 : rot -83:sc= 2.06 USER MOD Set 4.2: A 68 TYR OH : rot 41:sc= 2.03 USER MOD Set 5.1: A 21 HIS : no HD1:sc= 0.811 K(o=0.95,f=-7.6!) USER MOD Set 5.2: A 22 SER OG : rot -64:sc= 0.142 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.09 (180deg=2) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.14) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.023) USER MOD Single : A 6 GLN : amide:sc= 1.03 K(o=1,f=-0.051) USER MOD Single : A 8 SER OG : rot 80:sc= 1.01 USER MOD Single : A 15 MET CE :methyl -157:sc= -0.758 (180deg=-1.37) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0.536 (180deg=0.351) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 150:sc= -0.107 USER MOD Single : A 25 ASN : amide:sc= -0.531 K(o=-0.53,f=-5!) USER MOD Single : A 27 ASN : amide:sc=-0.00732 K(o=-0.0073,f=-6.7!) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc=-0.00549 (180deg=-0.112) USER MOD Single : A 34 SER OG : rot 81:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.406 (180deg=0.265) USER MOD Single : A 38 THR OG1 : rot 61:sc= 0.253 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0103) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 THR OG1 : rot 69:sc= 1.1 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0.404 (180deg=-0.632) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=-0.23) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.891 K(o=0.89,f=-1) USER MOD Single : A 75 SER OG : rot 91:sc= 1.17 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0.909 (180deg=0.87) USER MOD Single : A 82 SER OG : rot 16:sc= 0.734 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.507 8.528 9.493 1.00 0.00 N ATOM 2 CA MET A 1 6.948 9.898 9.189 1.00 0.00 C ATOM 3 C MET A 1 5.726 10.654 8.675 1.00 0.00 C ATOM 4 O MET A 1 4.632 10.096 8.766 1.00 0.00 O ATOM 5 CB MET A 1 8.129 9.919 8.201 1.00 0.00 C ATOM 6 CG MET A 1 9.435 9.407 8.826 1.00 0.00 C ATOM 7 SD MET A 1 9.475 7.650 9.258 1.00 0.00 S ATOM 8 CE MET A 1 10.822 7.646 10.461 1.00 0.00 C ATOM 0 H1 MET A 1 7.330 7.947 9.751 1.00 0.00 H new ATOM 0 H2 MET A 1 5.835 8.548 10.286 1.00 0.00 H new ATOM 0 H3 MET A 1 6.043 8.119 8.657 1.00 0.00 H new ATOM 0 HA MET A 1 7.334 10.387 10.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.882 9.307 7.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.278 10.937 7.841 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.250 9.608 8.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.634 9.987 9.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.978 6.632 10.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.735 8.004 9.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.567 8.299 11.295 1.00 0.00 H new ATOM 20 N LYS A 2 5.885 11.894 8.204 1.00 0.00 N ATOM 21 CA LYS A 2 4.769 12.664 7.677 1.00 0.00 C ATOM 22 C LYS A 2 4.270 12.057 6.360 1.00 0.00 C ATOM 23 O LYS A 2 4.860 11.112 5.839 1.00 0.00 O ATOM 24 CB LYS A 2 5.167 14.143 7.540 1.00 0.00 C ATOM 25 CG LYS A 2 6.237 14.415 6.471 1.00 0.00 C ATOM 26 CD LYS A 2 6.564 15.914 6.460 1.00 0.00 C ATOM 27 CE LYS A 2 7.528 16.294 5.330 1.00 0.00 C ATOM 28 NZ LYS A 2 8.865 15.701 5.497 1.00 0.00 N ATOM 0 H LYS A 2 6.780 12.382 8.180 1.00 0.00 H new ATOM 0 HA LYS A 2 3.933 12.620 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.277 14.726 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.534 14.499 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.136 13.835 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.878 14.101 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.641 16.484 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.003 16.194 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.109 15.971 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.620 17.379 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.512 16.096 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.224 15.917 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.805 14.670 5.376 1.00 0.00 H new ATOM 42 N LYS A 3 3.186 12.617 5.822 1.00 0.00 N ATOM 43 CA LYS A 3 2.595 12.182 4.568 1.00 0.00 C ATOM 44 C LYS A 3 3.514 12.589 3.412 1.00 0.00 C ATOM 45 O LYS A 3 3.398 13.704 2.907 1.00 0.00 O ATOM 46 CB LYS A 3 1.208 12.826 4.414 1.00 0.00 C ATOM 47 CG LYS A 3 0.263 12.534 5.586 1.00 0.00 C ATOM 48 CD LYS A 3 -1.168 13.009 5.277 1.00 0.00 C ATOM 49 CE LYS A 3 -1.274 14.497 4.915 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.697 15.364 5.956 1.00 0.00 N ATOM 0 H LYS A 3 2.691 13.396 6.256 1.00 0.00 H new ATOM 0 HA LYS A 3 2.480 11.098 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.327 13.905 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.751 12.468 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.257 11.464 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.628 13.032 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.565 12.417 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.799 12.812 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.762 14.677 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.321 14.759 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.851 16.361 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.156 15.164 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.324 15.180 6.034 1.00 0.00 H new ATOM 64 N ILE A 4 4.449 11.725 3.006 1.00 0.00 N ATOM 65 CA ILE A 4 5.346 12.020 1.889 1.00 0.00 C ATOM 66 C ILE A 4 5.810 10.730 1.199 1.00 0.00 C ATOM 67 O ILE A 4 6.955 10.307 1.353 1.00 0.00 O ATOM 68 CB ILE A 4 6.487 12.966 2.335 1.00 0.00 C ATOM 69 CG1 ILE A 4 7.322 13.413 1.120 1.00 0.00 C ATOM 70 CG2 ILE A 4 7.375 12.393 3.453 1.00 0.00 C ATOM 71 CD1 ILE A 4 8.271 14.567 1.453 1.00 0.00 C ATOM 0 H ILE A 4 4.603 10.813 3.437 1.00 0.00 H new ATOM 0 HA ILE A 4 4.802 12.570 1.121 1.00 0.00 H new ATOM 0 HB ILE A 4 6.006 13.839 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.900 12.567 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.653 13.718 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.150 13.116 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.765 12.188 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.840 11.468 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.835 14.843 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.694 15.425 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.961 14.256 2.238 1.00 0.00 H new ATOM 83 N PRO A 5 4.935 10.073 0.420 1.00 0.00 N ATOM 84 CA PRO A 5 5.307 8.872 -0.304 1.00 0.00 C ATOM 85 C PRO A 5 6.401 9.172 -1.334 1.00 0.00 C ATOM 86 O PRO A 5 6.420 10.248 -1.931 1.00 0.00 O ATOM 87 CB PRO A 5 4.037 8.363 -0.980 1.00 0.00 C ATOM 88 CG PRO A 5 2.903 9.068 -0.241 1.00 0.00 C ATOM 89 CD PRO A 5 3.530 10.379 0.221 1.00 0.00 C ATOM 0 HA PRO A 5 5.716 8.118 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.029 8.604 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.951 7.279 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.047 9.242 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.546 8.476 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.399 11.164 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.069 10.734 1.143 1.00 0.00 H new ATOM 97 N GLN A 6 7.307 8.216 -1.542 1.00 0.00 N ATOM 98 CA GLN A 6 8.396 8.253 -2.510 1.00 0.00 C ATOM 99 C GLN A 6 8.269 6.912 -3.228 1.00 0.00 C ATOM 100 O GLN A 6 8.844 5.910 -2.809 1.00 0.00 O ATOM 101 CB GLN A 6 9.743 8.430 -1.791 1.00 0.00 C ATOM 102 CG GLN A 6 9.864 9.766 -1.042 1.00 0.00 C ATOM 103 CD GLN A 6 9.982 10.966 -1.980 1.00 0.00 C ATOM 104 OE1 GLN A 6 11.083 11.394 -2.306 1.00 0.00 O ATOM 105 NE2 GLN A 6 8.863 11.528 -2.424 1.00 0.00 N ATOM 0 H GLN A 6 7.297 7.347 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 6 8.347 9.087 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.879 7.612 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.549 8.357 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.992 9.897 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.737 9.733 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.957 11.155 -2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.910 12.332 -3.049 1.00 0.00 H new ATOM 114 N ILE A 7 7.420 6.899 -4.254 1.00 0.00 N ATOM 115 CA ILE A 7 6.958 5.695 -4.918 1.00 0.00 C ATOM 116 C ILE A 7 7.798 5.270 -6.121 1.00 0.00 C ATOM 117 O ILE A 7 7.958 6.027 -7.076 1.00 0.00 O ATOM 118 CB ILE A 7 5.486 5.898 -5.301 1.00 0.00 C ATOM 119 CG1 ILE A 7 4.613 6.227 -4.075 1.00 0.00 C ATOM 120 CG2 ILE A 7 4.951 4.679 -6.060 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.581 5.116 -3.019 1.00 0.00 C ATOM 0 H ILE A 7 7.028 7.752 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 7 7.068 4.867 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 7 5.433 6.761 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.982 7.143 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.595 6.427 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.906 4.844 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.534 4.532 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.032 3.794 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.946 5.422 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.183 4.204 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.592 4.931 -2.655 1.00 0.00 H new ATOM 133 N SER A 8 8.278 4.024 -6.079 1.00 0.00 N ATOM 134 CA SER A 8 8.954 3.364 -7.188 1.00 0.00 C ATOM 135 C SER A 8 7.878 2.640 -8.011 1.00 0.00 C ATOM 136 O SER A 8 6.807 2.357 -7.480 1.00 0.00 O ATOM 137 CB SER A 8 9.978 2.365 -6.634 1.00 0.00 C ATOM 138 OG SER A 8 10.729 2.956 -5.591 1.00 0.00 O ATOM 0 H SER A 8 8.203 3.435 -5.249 1.00 0.00 H new ATOM 0 HA SER A 8 9.485 4.080 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.466 1.477 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.645 2.039 -7.432 1.00 0.00 H new ATOM 0 HG SER A 8 10.205 2.943 -4.763 1.00 0.00 H new ATOM 144 N ASP A 9 8.141 2.291 -9.274 1.00 0.00 N ATOM 145 CA ASP A 9 7.151 1.616 -10.120 1.00 0.00 C ATOM 146 C ASP A 9 6.499 0.418 -9.413 1.00 0.00 C ATOM 147 O ASP A 9 5.277 0.348 -9.294 1.00 0.00 O ATOM 148 CB ASP A 9 7.786 1.188 -11.445 1.00 0.00 C ATOM 149 CG ASP A 9 6.779 0.434 -12.310 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.012 1.122 -13.017 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.792 -0.814 -12.237 1.00 0.00 O ATOM 0 H ASP A 9 9.034 2.465 -9.735 1.00 0.00 H new ATOM 0 HA ASP A 9 6.355 2.332 -10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.147 2.066 -11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.652 0.555 -11.251 1.00 0.00 H new ATOM 156 N ALA A 10 7.329 -0.507 -8.920 1.00 0.00 N ATOM 157 CA ALA A 10 6.872 -1.699 -8.213 1.00 0.00 C ATOM 158 C ALA A 10 5.941 -1.337 -7.053 1.00 0.00 C ATOM 159 O ALA A 10 4.931 -1.999 -6.834 1.00 0.00 O ATOM 160 CB ALA A 10 8.080 -2.496 -7.715 1.00 0.00 C ATOM 0 H ALA A 10 8.344 -0.445 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 10 6.300 -2.316 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.736 -3.386 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.695 -2.793 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.670 -1.878 -7.038 1.00 0.00 H new ATOM 166 N GLU A 11 6.282 -0.282 -6.307 1.00 0.00 N ATOM 167 CA GLU A 11 5.441 0.194 -5.223 1.00 0.00 C ATOM 168 C GLU A 11 4.120 0.689 -5.813 1.00 0.00 C ATOM 169 O GLU A 11 3.053 0.306 -5.347 1.00 0.00 O ATOM 170 CB GLU A 11 6.159 1.306 -4.446 1.00 0.00 C ATOM 171 CG GLU A 11 7.311 0.776 -3.590 1.00 0.00 C ATOM 172 CD GLU A 11 8.057 1.924 -2.921 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.759 2.651 -3.662 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.917 2.068 -1.688 1.00 0.00 O ATOM 0 H GLU A 11 7.139 0.255 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 11 5.236 -0.614 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.544 2.045 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.441 1.818 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.924 0.096 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.998 0.202 -4.211 1.00 0.00 H new ATOM 181 N LEU A 12 4.178 1.523 -6.854 1.00 0.00 N ATOM 182 CA LEU A 12 2.988 2.084 -7.479 1.00 0.00 C ATOM 183 C LEU A 12 1.990 0.980 -7.846 1.00 0.00 C ATOM 184 O LEU A 12 0.801 1.110 -7.563 1.00 0.00 O ATOM 185 CB LEU A 12 3.367 2.903 -8.727 1.00 0.00 C ATOM 186 CG LEU A 12 2.493 4.152 -8.925 1.00 0.00 C ATOM 187 CD1 LEU A 12 2.799 4.778 -10.289 1.00 0.00 C ATOM 188 CD2 LEU A 12 0.990 3.885 -8.795 1.00 0.00 C ATOM 0 H LEU A 12 5.052 1.825 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 12 2.510 2.749 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.411 3.207 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.285 2.267 -9.609 1.00 0.00 H new ATOM 0 HG LEU A 12 2.746 4.840 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.180 5.664 -10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.851 5.060 -10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.585 4.056 -11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.441 4.814 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.684 3.155 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.774 3.495 -7.800 1.00 0.00 H new ATOM 200 N GLU A 13 2.464 -0.113 -8.459 1.00 0.00 N ATOM 201 CA GLU A 13 1.612 -1.248 -8.810 1.00 0.00 C ATOM 202 C GLU A 13 0.755 -1.677 -7.617 1.00 0.00 C ATOM 203 O GLU A 13 -0.451 -1.887 -7.747 1.00 0.00 O ATOM 204 CB GLU A 13 2.473 -2.434 -9.254 1.00 0.00 C ATOM 205 CG GLU A 13 3.236 -2.165 -10.558 1.00 0.00 C ATOM 206 CD GLU A 13 2.292 -1.991 -11.744 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.751 -3.023 -12.196 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.107 -0.828 -12.166 1.00 0.00 O ATOM 0 H GLU A 13 3.442 -0.231 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 13 0.959 -0.937 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.186 -2.674 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.837 -3.309 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.845 -1.268 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.919 -2.991 -10.756 1.00 0.00 H new ATOM 215 N VAL A 14 1.391 -1.809 -6.452 1.00 0.00 N ATOM 216 CA VAL A 14 0.715 -2.178 -5.223 1.00 0.00 C ATOM 217 C VAL A 14 -0.373 -1.153 -4.931 1.00 0.00 C ATOM 218 O VAL A 14 -1.531 -1.522 -4.754 1.00 0.00 O ATOM 219 CB VAL A 14 1.740 -2.299 -4.084 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.074 -2.417 -2.714 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.714 -3.441 -4.381 1.00 0.00 C ATOM 0 H VAL A 14 2.394 -1.661 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 14 0.235 -3.152 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 14 2.318 -1.376 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.840 -2.500 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.466 -1.532 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.440 -3.304 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.438 -3.522 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.162 -4.377 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.237 -3.239 -5.316 1.00 0.00 H new ATOM 231 N MET A 15 -0.009 0.131 -4.905 1.00 0.00 N ATOM 232 CA MET A 15 -0.968 1.193 -4.624 1.00 0.00 C ATOM 233 C MET A 15 -2.183 1.064 -5.533 1.00 0.00 C ATOM 234 O MET A 15 -3.305 1.026 -5.051 1.00 0.00 O ATOM 235 CB MET A 15 -0.375 2.588 -4.818 1.00 0.00 C ATOM 236 CG MET A 15 1.021 2.775 -4.252 1.00 0.00 C ATOM 237 SD MET A 15 1.662 4.432 -4.544 1.00 0.00 S ATOM 238 CE MET A 15 0.995 5.260 -3.094 1.00 0.00 C ATOM 0 H MET A 15 0.942 0.457 -5.075 1.00 0.00 H new ATOM 0 HA MET A 15 -1.251 1.079 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.351 2.811 -5.885 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.040 3.317 -4.354 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.005 2.578 -3.180 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.693 2.044 -4.701 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.926 6.331 -3.286 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.003 4.866 -2.874 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.651 5.086 -2.241 1.00 0.00 H new ATOM 248 N LYS A 16 -1.944 0.998 -6.844 1.00 0.00 N ATOM 249 CA LYS A 16 -2.962 0.860 -7.873 1.00 0.00 C ATOM 250 C LYS A 16 -3.848 -0.348 -7.582 1.00 0.00 C ATOM 251 O LYS A 16 -5.068 -0.212 -7.614 1.00 0.00 O ATOM 252 CB LYS A 16 -2.242 0.786 -9.226 1.00 0.00 C ATOM 253 CG LYS A 16 -3.171 0.591 -10.428 1.00 0.00 C ATOM 254 CD LYS A 16 -2.429 0.827 -11.753 1.00 0.00 C ATOM 255 CE LYS A 16 -1.138 0.002 -11.855 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.516 0.116 -13.185 1.00 0.00 N ATOM 0 H LYS A 16 -0.999 1.041 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.638 1.715 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.670 1.702 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.526 -0.036 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.581 -0.419 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.014 1.278 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.086 0.573 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.189 1.886 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.432 0.337 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.359 -1.045 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.482 -0.171 -13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.016 -0.502 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.574 1.102 -13.512 1.00 0.00 H new ATOM 270 N VAL A 17 -3.263 -1.517 -7.293 1.00 0.00 N ATOM 271 CA VAL A 17 -4.046 -2.696 -6.938 1.00 0.00 C ATOM 272 C VAL A 17 -4.957 -2.363 -5.751 1.00 0.00 C ATOM 273 O VAL A 17 -6.177 -2.499 -5.846 1.00 0.00 O ATOM 274 CB VAL A 17 -3.116 -3.897 -6.665 1.00 0.00 C ATOM 275 CG1 VAL A 17 -3.802 -5.002 -5.853 1.00 0.00 C ATOM 276 CG2 VAL A 17 -2.656 -4.504 -7.995 1.00 0.00 C ATOM 0 H VAL A 17 -2.254 -1.667 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.687 -2.987 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.274 -3.517 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.102 -5.822 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.122 -4.601 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.670 -5.369 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.999 -5.352 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.525 -4.840 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.116 -3.752 -8.571 1.00 0.00 H new ATOM 286 N ILE A 18 -4.370 -1.899 -4.645 1.00 0.00 N ATOM 287 CA ILE A 18 -5.113 -1.550 -3.441 1.00 0.00 C ATOM 288 C ILE A 18 -6.252 -0.578 -3.768 1.00 0.00 C ATOM 289 O ILE A 18 -7.392 -0.796 -3.362 1.00 0.00 O ATOM 290 CB ILE A 18 -4.146 -1.004 -2.370 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.162 -2.121 -1.968 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.939 -0.460 -1.171 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.242 -1.762 -0.800 1.00 0.00 C ATOM 0 H ILE A 18 -3.363 -1.756 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.583 -2.443 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.566 -0.171 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.731 -3.013 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.549 -2.377 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.247 -0.077 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.595 0.344 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.538 -1.261 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.583 -2.603 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.643 -0.890 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.843 -1.536 0.081 1.00 0.00 H new ATOM 305 N TRP A 19 -5.947 0.474 -4.527 1.00 0.00 N ATOM 306 CA TRP A 19 -6.842 1.529 -4.941 1.00 0.00 C ATOM 307 C TRP A 19 -8.055 1.017 -5.730 1.00 0.00 C ATOM 308 O TRP A 19 -9.026 1.759 -5.865 1.00 0.00 O ATOM 309 CB TRP A 19 -5.996 2.574 -5.696 1.00 0.00 C ATOM 310 CG TRP A 19 -5.384 3.701 -4.894 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.909 4.288 -3.788 1.00 0.00 C ATOM 312 CD2 TRP A 19 -4.119 4.399 -5.133 1.00 0.00 C ATOM 313 NE1 TRP A 19 -5.068 5.284 -3.327 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.941 5.371 -4.108 1.00 0.00 C ATOM 315 CE3 TRP A 19 -3.104 4.327 -6.113 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.809 6.188 -4.035 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.970 5.160 -6.060 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.807 6.067 -5.001 1.00 0.00 C ATOM 0 H TRP A 19 -5.003 0.611 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.301 1.998 -4.071 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.188 2.047 -6.203 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.623 3.016 -6.470 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.850 4.016 -3.333 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.258 5.874 -2.517 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.200 3.617 -6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.710 6.908 -3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.223 5.101 -6.837 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.912 6.668 -4.933 1.00 0.00 H new ATOM 329 N LYS A 20 -8.041 -0.218 -6.253 1.00 0.00 N ATOM 330 CA LYS A 20 -9.234 -0.767 -6.892 1.00 0.00 C ATOM 331 C LYS A 20 -10.272 -1.153 -5.832 1.00 0.00 C ATOM 332 O LYS A 20 -11.469 -1.139 -6.110 1.00 0.00 O ATOM 333 CB LYS A 20 -8.901 -1.988 -7.762 1.00 0.00 C ATOM 334 CG LYS A 20 -7.810 -1.743 -8.810 1.00 0.00 C ATOM 335 CD LYS A 20 -8.048 -0.473 -9.638 1.00 0.00 C ATOM 336 CE LYS A 20 -6.988 -0.350 -10.735 1.00 0.00 C ATOM 337 NZ LYS A 20 -7.129 0.915 -11.477 1.00 0.00 N ATOM 0 H LYS A 20 -7.233 -0.840 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.645 0.007 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.587 -2.806 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.808 -2.315 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.844 -1.669 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.757 -2.602 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.042 -0.502 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.015 0.403 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.994 -0.405 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.076 -1.190 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.397 0.969 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.069 0.955 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.021 1.716 -10.822 1.00 0.00 H new ATOM 351 N HIS A 21 -9.817 -1.536 -4.634 1.00 0.00 N ATOM 352 CA HIS A 21 -10.678 -1.939 -3.532 1.00 0.00 C ATOM 353 C HIS A 21 -11.021 -0.706 -2.682 1.00 0.00 C ATOM 354 O HIS A 21 -10.404 0.348 -2.822 1.00 0.00 O ATOM 355 CB HIS A 21 -9.968 -3.043 -2.733 1.00 0.00 C ATOM 356 CG HIS A 21 -10.868 -3.962 -1.930 1.00 0.00 C ATOM 357 ND1 HIS A 21 -12.137 -3.589 -1.461 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.627 -5.255 -1.548 1.00 0.00 C ATOM 359 CE1 HIS A 21 -12.583 -4.666 -0.802 1.00 0.00 C ATOM 360 NE2 HIS A 21 -11.717 -5.692 -0.828 1.00 0.00 N ATOM 0 H HIS A 21 -8.824 -1.573 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.622 -2.349 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.387 -3.651 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.260 -2.573 -2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.740 -5.830 -1.771 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.539 -4.705 -0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.841 -6.610 -0.401 1.00 0.00 H new ATOM 368 N SER A 22 -12.024 -0.827 -1.811 1.00 0.00 N ATOM 369 CA SER A 22 -12.476 0.249 -0.930 1.00 0.00 C ATOM 370 C SER A 22 -11.340 0.602 0.033 1.00 0.00 C ATOM 371 O SER A 22 -10.878 1.738 0.125 1.00 0.00 O ATOM 372 CB SER A 22 -13.709 -0.264 -0.172 1.00 0.00 C ATOM 373 OG SER A 22 -13.465 -1.549 0.390 1.00 0.00 O ATOM 0 H SER A 22 -12.554 -1.691 -1.697 1.00 0.00 H new ATOM 0 HA SER A 22 -12.742 1.147 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.972 0.438 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.561 -0.315 -0.850 1.00 0.00 H new ATOM 0 HG SER A 22 -13.313 -2.197 -0.329 1.00 0.00 H new ATOM 379 N SER A 23 -10.933 -0.393 0.808 1.00 0.00 N ATOM 380 CA SER A 23 -9.655 -0.458 1.485 1.00 0.00 C ATOM 381 C SER A 23 -9.174 -1.869 1.122 1.00 0.00 C ATOM 382 O SER A 23 -9.751 -2.450 0.208 1.00 0.00 O ATOM 383 CB SER A 23 -9.935 -0.219 2.971 1.00 0.00 C ATOM 384 OG SER A 23 -10.362 1.123 3.118 1.00 0.00 O ATOM 0 H SER A 23 -11.514 -1.212 0.987 1.00 0.00 H new ATOM 0 HA SER A 23 -8.892 0.271 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.701 -0.906 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.039 -0.402 3.563 1.00 0.00 H new ATOM 0 HG SER A 23 -10.977 1.189 3.878 1.00 0.00 H new ATOM 390 N ILE A 24 -8.270 -2.523 1.849 1.00 0.00 N ATOM 391 CA ILE A 24 -7.994 -3.934 1.559 1.00 0.00 C ATOM 392 C ILE A 24 -7.522 -4.660 2.814 1.00 0.00 C ATOM 393 O ILE A 24 -6.783 -4.061 3.592 1.00 0.00 O ATOM 394 CB ILE A 24 -7.080 -4.069 0.330 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.005 -5.517 -0.177 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.691 -3.532 0.663 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.665 -5.579 -1.671 1.00 0.00 C ATOM 0 H ILE A 24 -7.732 -2.120 2.616 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.914 -4.445 1.274 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.509 -3.477 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.251 -6.062 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.959 -6.014 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.045 -3.629 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.765 -2.482 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.270 -4.101 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.621 -6.620 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.433 -5.056 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.699 -5.105 -1.844 1.00 0.00 H new ATOM 409 N ASN A 25 -7.905 -5.924 3.020 1.00 0.00 N ATOM 410 CA ASN A 25 -7.432 -6.692 4.173 1.00 0.00 C ATOM 411 C ASN A 25 -6.048 -7.247 3.826 1.00 0.00 C ATOM 412 O ASN A 25 -5.774 -7.516 2.658 1.00 0.00 O ATOM 413 CB ASN A 25 -8.402 -7.817 4.569 1.00 0.00 C ATOM 414 CG ASN A 25 -9.811 -7.398 4.986 1.00 0.00 C ATOM 415 OD1 ASN A 25 -10.172 -7.501 6.152 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.643 -6.950 4.052 1.00 0.00 N ATOM 0 H ASN A 25 -8.539 -6.434 2.405 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.374 -6.037 5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.487 -8.504 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.956 -8.376 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.596 -6.687 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.329 -6.869 3.085 1.00 0.00 H new ATOM 423 N THR A 26 -5.157 -7.427 4.806 1.00 0.00 N ATOM 424 CA THR A 26 -3.812 -7.909 4.499 1.00 0.00 C ATOM 425 C THR A 26 -3.830 -9.242 3.744 1.00 0.00 C ATOM 426 O THR A 26 -3.083 -9.407 2.785 1.00 0.00 O ATOM 427 CB THR A 26 -2.919 -7.954 5.750 1.00 0.00 C ATOM 428 OG1 THR A 26 -2.862 -6.683 6.363 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.479 -8.312 5.372 1.00 0.00 C ATOM 0 H THR A 26 -5.338 -7.251 5.794 1.00 0.00 H new ATOM 0 HA THR A 26 -3.364 -7.182 3.822 1.00 0.00 H new ATOM 0 HB THR A 26 -3.347 -8.699 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.187 -6.133 5.913 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.863 -8.339 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.462 -9.290 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.086 -7.562 4.685 1.00 0.00 H new ATOM 437 N ASN A 27 -4.679 -10.196 4.135 1.00 0.00 N ATOM 438 CA ASN A 27 -4.766 -11.461 3.417 1.00 0.00 C ATOM 439 C ASN A 27 -5.110 -11.205 1.944 1.00 0.00 C ATOM 440 O ASN A 27 -4.427 -11.718 1.059 1.00 0.00 O ATOM 441 CB ASN A 27 -5.755 -12.419 4.098 1.00 0.00 C ATOM 442 CG ASN A 27 -7.194 -11.908 4.110 1.00 0.00 C ATOM 443 OD1 ASN A 27 -7.426 -10.704 4.155 1.00 0.00 O ATOM 444 ND2 ASN A 27 -8.173 -12.806 4.072 1.00 0.00 N ATOM 0 H ASN A 27 -5.307 -10.115 4.935 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.795 -11.955 3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.725 -13.382 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.432 -12.592 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.146 -12.500 4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.951 -13.801 4.035 1.00 0.00 H new ATOM 451 N GLU A 28 -6.139 -10.387 1.683 1.00 0.00 N ATOM 452 CA GLU A 28 -6.527 -9.995 0.332 1.00 0.00 C ATOM 453 C GLU A 28 -5.315 -9.420 -0.408 1.00 0.00 C ATOM 454 O GLU A 28 -5.020 -9.832 -1.528 1.00 0.00 O ATOM 455 CB GLU A 28 -7.644 -8.938 0.371 1.00 0.00 C ATOM 456 CG GLU A 28 -9.024 -9.454 0.785 1.00 0.00 C ATOM 457 CD GLU A 28 -10.036 -8.308 0.759 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.771 -7.306 1.460 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.043 -8.424 0.028 1.00 0.00 O ATOM 0 H GLU A 28 -6.725 -9.979 2.411 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.895 -10.879 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.349 -8.148 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.726 -8.484 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.343 -10.248 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.976 -9.886 1.785 1.00 0.00 H new ATOM 466 N VAL A 29 -4.620 -8.464 0.217 1.00 0.00 N ATOM 467 CA VAL A 29 -3.482 -7.793 -0.398 1.00 0.00 C ATOM 468 C VAL A 29 -2.385 -8.791 -0.772 1.00 0.00 C ATOM 469 O VAL A 29 -1.956 -8.825 -1.927 1.00 0.00 O ATOM 470 CB VAL A 29 -2.997 -6.614 0.484 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.660 -6.797 1.209 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.843 -5.353 -0.367 1.00 0.00 C ATOM 0 H VAL A 29 -4.833 -8.138 1.160 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.797 -7.347 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.771 -6.549 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.436 -5.903 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.722 -7.657 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.869 -6.962 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.502 -4.530 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.113 -5.534 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.804 -5.095 -0.813 1.00 0.00 H new ATOM 482 N ILE A 30 -1.938 -9.613 0.185 1.00 0.00 N ATOM 483 CA ILE A 30 -0.882 -10.574 -0.081 1.00 0.00 C ATOM 484 C ILE A 30 -1.326 -11.534 -1.178 1.00 0.00 C ATOM 485 O ILE A 30 -0.561 -11.764 -2.113 1.00 0.00 O ATOM 486 CB ILE A 30 -0.396 -11.277 1.203 1.00 0.00 C ATOM 487 CG1 ILE A 30 0.163 -10.208 2.167 1.00 0.00 C ATOM 488 CG2 ILE A 30 0.667 -12.332 0.847 1.00 0.00 C ATOM 489 CD1 ILE A 30 1.208 -10.710 3.167 1.00 0.00 C ATOM 0 H ILE A 30 -2.293 -9.626 1.141 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.004 -10.044 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.220 -11.794 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.606 -9.406 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.668 -9.774 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.008 -12.826 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.235 -13.071 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.512 -11.847 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.536 -9.883 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.770 -11.489 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.063 -11.116 2.627 1.00 0.00 H new ATOM 501 N LYS A 31 -2.544 -12.079 -1.092 1.00 0.00 N ATOM 502 CA LYS A 31 -3.044 -12.975 -2.124 1.00 0.00 C ATOM 503 C LYS A 31 -2.984 -12.291 -3.492 1.00 0.00 C ATOM 504 O LYS A 31 -2.368 -12.826 -4.411 1.00 0.00 O ATOM 505 CB LYS A 31 -4.468 -13.442 -1.790 1.00 0.00 C ATOM 506 CG LYS A 31 -4.514 -14.416 -0.603 1.00 0.00 C ATOM 507 CD LYS A 31 -4.002 -15.814 -0.984 1.00 0.00 C ATOM 508 CE LYS A 31 -4.072 -16.789 0.198 1.00 0.00 C ATOM 509 NZ LYS A 31 -5.459 -17.040 0.631 1.00 0.00 N ATOM 0 H LYS A 31 -3.193 -11.913 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.409 -13.860 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.087 -12.573 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.902 -13.924 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.911 -14.020 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.538 -14.492 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.593 -16.204 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.972 -15.741 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.605 -17.733 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.499 -16.386 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.473 -17.826 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.842 -16.184 1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.041 -17.287 -0.195 1.00 0.00 H new ATOM 523 N GLU A 32 -3.588 -11.106 -3.624 1.00 0.00 N ATOM 524 CA GLU A 32 -3.625 -10.381 -4.881 1.00 0.00 C ATOM 525 C GLU A 32 -2.220 -10.162 -5.441 1.00 0.00 C ATOM 526 O GLU A 32 -1.930 -10.547 -6.576 1.00 0.00 O ATOM 527 CB GLU A 32 -4.357 -9.044 -4.690 1.00 0.00 C ATOM 528 CG GLU A 32 -4.722 -8.407 -6.036 1.00 0.00 C ATOM 529 CD GLU A 32 -5.753 -9.226 -6.809 1.00 0.00 C ATOM 530 OE1 GLU A 32 -6.909 -9.273 -6.336 1.00 0.00 O ATOM 531 OE2 GLU A 32 -5.366 -9.800 -7.850 1.00 0.00 O ATOM 0 H GLU A 32 -4.063 -10.629 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.171 -10.981 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.262 -9.204 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.726 -8.360 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.113 -7.404 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.821 -8.300 -6.640 1.00 0.00 H new ATOM 538 N LEU A 33 -1.337 -9.532 -4.661 1.00 0.00 N ATOM 539 CA LEU A 33 -0.005 -9.245 -5.161 1.00 0.00 C ATOM 540 C LEU A 33 0.762 -10.529 -5.466 1.00 0.00 C ATOM 541 O LEU A 33 1.403 -10.589 -6.507 1.00 0.00 O ATOM 542 CB LEU A 33 0.777 -8.290 -4.247 1.00 0.00 C ATOM 543 CG LEU A 33 0.453 -6.792 -4.427 1.00 0.00 C ATOM 544 CD1 LEU A 33 0.439 -6.355 -5.899 1.00 0.00 C ATOM 545 CD2 LEU A 33 -0.860 -6.392 -3.750 1.00 0.00 C ATOM 0 H LEU A 33 -1.520 -9.221 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.125 -8.713 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.582 -8.565 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.843 -8.438 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 33 1.268 -6.265 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.205 -5.292 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.418 -6.538 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.316 -6.925 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.041 -5.329 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.681 -6.967 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.795 -6.595 -2.681 1.00 0.00 H new ATOM 557 N SER A 34 0.683 -11.561 -4.623 1.00 0.00 N ATOM 558 CA SER A 34 1.381 -12.814 -4.899 1.00 0.00 C ATOM 559 C SER A 34 0.850 -13.466 -6.183 1.00 0.00 C ATOM 560 O SER A 34 1.611 -14.051 -6.948 1.00 0.00 O ATOM 561 CB SER A 34 1.248 -13.781 -3.718 1.00 0.00 C ATOM 562 OG SER A 34 1.712 -13.185 -2.523 1.00 0.00 O ATOM 0 H SER A 34 0.149 -11.553 -3.754 1.00 0.00 H new ATOM 0 HA SER A 34 2.437 -12.584 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.205 -14.077 -3.601 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.816 -14.689 -3.921 1.00 0.00 H new ATOM 0 HG SER A 34 1.015 -12.601 -2.156 1.00 0.00 H new ATOM 568 N LYS A 35 -0.466 -13.398 -6.404 1.00 0.00 N ATOM 569 CA LYS A 35 -1.105 -13.971 -7.580 1.00 0.00 C ATOM 570 C LYS A 35 -0.644 -13.258 -8.851 1.00 0.00 C ATOM 571 O LYS A 35 -0.299 -13.896 -9.842 1.00 0.00 O ATOM 572 CB LYS A 35 -2.629 -13.849 -7.433 1.00 0.00 C ATOM 573 CG LYS A 35 -3.368 -14.653 -8.509 1.00 0.00 C ATOM 574 CD LYS A 35 -4.889 -14.669 -8.283 1.00 0.00 C ATOM 575 CE LYS A 35 -5.513 -13.277 -8.107 1.00 0.00 C ATOM 576 NZ LYS A 35 -5.204 -12.383 -9.235 1.00 0.00 N ATOM 0 H LYS A 35 -1.117 -12.940 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.824 -15.021 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.929 -14.201 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.918 -12.800 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.153 -14.228 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.993 -15.676 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.366 -15.164 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.108 -15.267 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.594 -13.375 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.148 -12.831 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.512 -11.416 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.179 -12.387 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.702 -12.713 -10.086 1.00 0.00 H new ATOM 590 N THR A 36 -0.693 -11.928 -8.828 1.00 0.00 N ATOM 591 CA THR A 36 -0.433 -11.105 -9.999 1.00 0.00 C ATOM 592 C THR A 36 1.054 -10.872 -10.268 1.00 0.00 C ATOM 593 O THR A 36 1.461 -10.790 -11.425 1.00 0.00 O ATOM 594 CB THR A 36 -1.180 -9.776 -9.832 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.754 -9.116 -8.655 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.691 -10.023 -9.745 1.00 0.00 C ATOM 0 H THR A 36 -0.916 -11.391 -7.990 1.00 0.00 H new ATOM 0 HA THR A 36 -0.797 -11.643 -10.875 1.00 0.00 H new ATOM 0 HB THR A 36 -0.961 -9.152 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.220 -9.495 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.209 -9.071 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.033 -10.511 -10.658 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.906 -10.662 -8.889 1.00 0.00 H new ATOM 604 N SER A 37 1.856 -10.740 -9.210 1.00 0.00 N ATOM 605 CA SER A 37 3.263 -10.383 -9.272 1.00 0.00 C ATOM 606 C SER A 37 4.114 -11.436 -8.562 1.00 0.00 C ATOM 607 O SER A 37 3.784 -11.863 -7.458 1.00 0.00 O ATOM 608 CB SER A 37 3.428 -9.020 -8.589 1.00 0.00 C ATOM 609 OG SER A 37 2.442 -8.108 -9.044 1.00 0.00 O ATOM 0 H SER A 37 1.526 -10.885 -8.256 1.00 0.00 H new ATOM 0 HA SER A 37 3.594 -10.333 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.350 -9.138 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.421 -8.622 -8.796 1.00 0.00 H new ATOM 0 HG SER A 37 2.459 -7.302 -8.486 1.00 0.00 H new ATOM 615 N THR A 38 5.235 -11.837 -9.163 1.00 0.00 N ATOM 616 CA THR A 38 6.139 -12.823 -8.591 1.00 0.00 C ATOM 617 C THR A 38 6.953 -12.181 -7.463 1.00 0.00 C ATOM 618 O THR A 38 8.155 -11.965 -7.614 1.00 0.00 O ATOM 619 CB THR A 38 7.039 -13.346 -9.718 1.00 0.00 C ATOM 620 OG1 THR A 38 7.635 -12.239 -10.363 1.00 0.00 O ATOM 621 CG2 THR A 38 6.239 -14.145 -10.750 1.00 0.00 C ATOM 0 H THR A 38 5.540 -11.480 -10.069 1.00 0.00 H new ATOM 0 HA THR A 38 5.590 -13.659 -8.158 1.00 0.00 H new ATOM 0 HB THR A 38 7.791 -14.005 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.175 -11.737 -9.718 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.908 -14.500 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.766 -14.998 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.472 -13.507 -11.189 1.00 0.00 H new ATOM 629 N TRP A 39 6.286 -11.848 -6.357 1.00 0.00 N ATOM 630 CA TRP A 39 6.832 -11.224 -5.168 1.00 0.00 C ATOM 631 C TRP A 39 6.446 -12.084 -3.966 1.00 0.00 C ATOM 632 O TRP A 39 5.379 -12.696 -3.971 1.00 0.00 O ATOM 633 CB TRP A 39 6.218 -9.826 -5.053 1.00 0.00 C ATOM 634 CG TRP A 39 6.606 -8.819 -6.093 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.734 -8.825 -6.841 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.873 -7.627 -6.499 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.736 -7.747 -7.701 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.608 -6.972 -7.530 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.651 -7.040 -6.106 1.00 0.00 C ATOM 640 CZ2 TRP A 39 6.152 -5.800 -8.148 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.182 -5.865 -6.721 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.929 -5.249 -7.741 1.00 0.00 C ATOM 0 H TRP A 39 5.285 -12.022 -6.270 1.00 0.00 H new ATOM 0 HA TRP A 39 7.918 -11.139 -5.212 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.133 -9.931 -5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.481 -9.421 -4.076 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.517 -9.565 -6.774 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.475 -7.549 -8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.068 -7.500 -5.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.734 -5.328 -8.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.243 -5.433 -6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.560 -4.350 -8.212 1.00 0.00 H new ATOM 653 N SER A 40 7.306 -12.155 -2.946 1.00 0.00 N ATOM 654 CA SER A 40 7.016 -12.958 -1.766 1.00 0.00 C ATOM 655 C SER A 40 6.141 -12.155 -0.797 1.00 0.00 C ATOM 656 O SER A 40 6.052 -10.931 -0.932 1.00 0.00 O ATOM 657 CB SER A 40 8.336 -13.366 -1.096 1.00 0.00 C ATOM 658 OG SER A 40 8.933 -12.254 -0.459 1.00 0.00 O ATOM 0 H SER A 40 8.202 -11.668 -2.918 1.00 0.00 H new ATOM 0 HA SER A 40 6.473 -13.859 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.152 -14.155 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.018 -13.775 -1.842 1.00 0.00 H new ATOM 0 HG SER A 40 9.204 -11.597 -1.134 1.00 0.00 H new ATOM 664 N PRO A 41 5.523 -12.799 0.209 1.00 0.00 N ATOM 665 CA PRO A 41 4.805 -12.078 1.244 1.00 0.00 C ATOM 666 C PRO A 41 5.738 -11.043 1.877 1.00 0.00 C ATOM 667 O PRO A 41 5.336 -9.908 2.087 1.00 0.00 O ATOM 668 CB PRO A 41 4.318 -13.129 2.245 1.00 0.00 C ATOM 669 CG PRO A 41 4.249 -14.401 1.399 1.00 0.00 C ATOM 670 CD PRO A 41 5.410 -14.233 0.418 1.00 0.00 C ATOM 0 HA PRO A 41 3.948 -11.526 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.006 -13.238 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.346 -12.869 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.364 -15.297 2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.294 -14.489 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.333 -14.646 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.213 -14.754 -0.519 1.00 0.00 H new ATOM 678 N LYS A 42 7.002 -11.406 2.123 1.00 0.00 N ATOM 679 CA LYS A 42 7.985 -10.487 2.678 1.00 0.00 C ATOM 680 C LYS A 42 8.188 -9.288 1.744 1.00 0.00 C ATOM 681 O LYS A 42 8.212 -8.145 2.202 1.00 0.00 O ATOM 682 CB LYS A 42 9.305 -11.217 2.963 1.00 0.00 C ATOM 683 CG LYS A 42 9.147 -12.427 3.899 1.00 0.00 C ATOM 684 CD LYS A 42 8.451 -12.117 5.236 1.00 0.00 C ATOM 685 CE LYS A 42 9.120 -10.992 6.038 1.00 0.00 C ATOM 686 NZ LYS A 42 10.537 -11.281 6.319 1.00 0.00 N ATOM 0 H LYS A 42 7.365 -12.342 1.942 1.00 0.00 H new ATOM 0 HA LYS A 42 7.611 -10.104 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.737 -11.551 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.011 -10.515 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.580 -13.199 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.134 -12.841 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.414 -11.843 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.433 -13.022 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.044 -10.057 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.586 -10.850 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.941 -10.512 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.612 -12.177 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.060 -11.358 5.423 1.00 0.00 H new ATOM 700 N THR A 43 8.328 -9.529 0.436 1.00 0.00 N ATOM 701 CA THR A 43 8.453 -8.456 -0.545 1.00 0.00 C ATOM 702 C THR A 43 7.258 -7.503 -0.404 1.00 0.00 C ATOM 703 O THR A 43 7.422 -6.292 -0.257 1.00 0.00 O ATOM 704 CB THR A 43 8.509 -9.050 -1.963 1.00 0.00 C ATOM 705 OG1 THR A 43 9.431 -10.121 -2.040 1.00 0.00 O ATOM 706 CG2 THR A 43 8.879 -8.002 -3.015 1.00 0.00 C ATOM 0 H THR A 43 8.357 -10.466 0.034 1.00 0.00 H new ATOM 0 HA THR A 43 9.374 -7.899 -0.370 1.00 0.00 H new ATOM 0 HB THR A 43 7.505 -9.418 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.684 -10.268 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.906 -8.469 -4.000 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.136 -7.205 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.859 -7.585 -2.784 1.00 0.00 H new ATOM 714 N ILE A 44 6.048 -8.065 -0.427 1.00 0.00 N ATOM 715 CA ILE A 44 4.807 -7.312 -0.307 1.00 0.00 C ATOM 716 C ILE A 44 4.807 -6.500 0.993 1.00 0.00 C ATOM 717 O ILE A 44 4.522 -5.303 0.989 1.00 0.00 O ATOM 718 CB ILE A 44 3.624 -8.285 -0.444 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.562 -8.774 -1.905 1.00 0.00 C ATOM 720 CG2 ILE A 44 2.310 -7.614 -0.023 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.836 -10.112 -2.060 1.00 0.00 C ATOM 0 H ILE A 44 5.905 -9.070 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 44 4.709 -6.579 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 44 3.768 -9.139 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.059 -8.022 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.576 -8.871 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.489 -8.323 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.381 -7.295 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.125 -6.747 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.826 -10.401 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.352 -10.876 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.811 -10.014 -1.701 1.00 0.00 H new ATOM 733 N GLN A 45 5.157 -7.144 2.106 1.00 0.00 N ATOM 734 CA GLN A 45 5.249 -6.512 3.409 1.00 0.00 C ATOM 735 C GLN A 45 6.265 -5.372 3.382 1.00 0.00 C ATOM 736 O GLN A 45 6.036 -4.349 4.017 1.00 0.00 O ATOM 737 CB GLN A 45 5.548 -7.565 4.478 1.00 0.00 C ATOM 738 CG GLN A 45 4.330 -8.483 4.670 1.00 0.00 C ATOM 739 CD GLN A 45 4.677 -9.694 5.529 1.00 0.00 C ATOM 740 OE1 GLN A 45 4.665 -10.829 5.063 1.00 0.00 O ATOM 741 NE2 GLN A 45 5.000 -9.466 6.799 1.00 0.00 N ATOM 0 H GLN A 45 5.387 -8.138 2.121 1.00 0.00 H new ATOM 0 HA GLN A 45 4.292 -6.059 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.416 -8.156 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.798 -7.077 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.520 -7.923 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.967 -8.816 3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.002 -8.513 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.246 -10.245 7.410 1.00 0.00 H new ATOM 750 N THR A 46 7.366 -5.515 2.641 1.00 0.00 N ATOM 751 CA THR A 46 8.340 -4.439 2.500 1.00 0.00 C ATOM 752 C THR A 46 7.672 -3.235 1.821 1.00 0.00 C ATOM 753 O THR A 46 7.798 -2.105 2.296 1.00 0.00 O ATOM 754 CB THR A 46 9.587 -4.926 1.743 1.00 0.00 C ATOM 755 OG1 THR A 46 10.091 -6.102 2.347 1.00 0.00 O ATOM 756 CG2 THR A 46 10.698 -3.873 1.771 1.00 0.00 C ATOM 0 H THR A 46 7.602 -6.366 2.131 1.00 0.00 H new ATOM 0 HA THR A 46 8.683 -4.121 3.485 1.00 0.00 H new ATOM 0 HB THR A 46 9.289 -5.117 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.467 -6.842 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.566 -4.246 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.342 -2.956 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.977 -3.666 2.804 1.00 0.00 H new ATOM 764 N MET A 47 6.942 -3.464 0.722 1.00 0.00 N ATOM 765 CA MET A 47 6.236 -2.383 0.039 1.00 0.00 C ATOM 766 C MET A 47 5.244 -1.711 0.996 1.00 0.00 C ATOM 767 O MET A 47 5.245 -0.489 1.144 1.00 0.00 O ATOM 768 CB MET A 47 5.545 -2.876 -1.233 1.00 0.00 C ATOM 769 CG MET A 47 6.530 -3.500 -2.225 1.00 0.00 C ATOM 770 SD MET A 47 8.075 -2.615 -2.565 1.00 0.00 S ATOM 771 CE MET A 47 8.765 -3.695 -3.837 1.00 0.00 C ATOM 0 H MET A 47 6.828 -4.382 0.293 1.00 0.00 H new ATOM 0 HA MET A 47 6.970 -1.639 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.784 -3.611 -0.969 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.031 -2.042 -1.711 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.789 -4.493 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.008 -3.636 -3.172 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.726 -3.301 -4.167 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.905 -4.696 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.081 -3.742 -4.685 1.00 0.00 H new ATOM 781 N LEU A 48 4.409 -2.515 1.660 1.00 0.00 N ATOM 782 CA LEU A 48 3.444 -2.013 2.633 1.00 0.00 C ATOM 783 C LEU A 48 4.161 -1.172 3.693 1.00 0.00 C ATOM 784 O LEU A 48 3.738 -0.057 3.983 1.00 0.00 O ATOM 785 CB LEU A 48 2.683 -3.178 3.282 1.00 0.00 C ATOM 786 CG LEU A 48 1.723 -3.885 2.311 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.357 -5.267 2.861 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.434 -3.077 2.115 1.00 0.00 C ATOM 0 H LEU A 48 4.385 -3.527 1.537 1.00 0.00 H new ATOM 0 HA LEU A 48 2.719 -1.380 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.400 -3.903 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.117 -2.804 4.136 1.00 0.00 H new ATOM 0 HG LEU A 48 2.230 -3.979 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.677 -5.765 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.261 -5.865 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.872 -5.156 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.224 -3.603 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.070 -2.957 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.678 -2.096 1.708 1.00 0.00 H new ATOM 800 N LEU A 49 5.250 -1.697 4.259 1.00 0.00 N ATOM 801 CA LEU A 49 6.053 -1.017 5.264 1.00 0.00 C ATOM 802 C LEU A 49 6.487 0.351 4.743 1.00 0.00 C ATOM 803 O LEU A 49 6.282 1.345 5.434 1.00 0.00 O ATOM 804 CB LEU A 49 7.229 -1.919 5.679 1.00 0.00 C ATOM 805 CG LEU A 49 8.198 -1.379 6.747 1.00 0.00 C ATOM 806 CD1 LEU A 49 9.223 -0.381 6.193 1.00 0.00 C ATOM 807 CD2 LEU A 49 7.470 -0.800 7.964 1.00 0.00 C ATOM 0 H LEU A 49 5.601 -2.625 4.023 1.00 0.00 H new ATOM 0 HA LEU A 49 5.467 -0.831 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.818 -2.861 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.808 -2.149 4.785 1.00 0.00 H new ATOM 0 HG LEU A 49 8.760 -2.251 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.873 -0.042 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.823 -0.866 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.702 0.474 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.201 -0.434 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.829 0.023 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.861 -1.576 8.427 1.00 0.00 H new ATOM 819 N ARG A 50 7.067 0.417 3.537 1.00 0.00 N ATOM 820 CA ARG A 50 7.492 1.678 2.942 1.00 0.00 C ATOM 821 C ARG A 50 6.325 2.673 2.943 1.00 0.00 C ATOM 822 O ARG A 50 6.405 3.731 3.565 1.00 0.00 O ATOM 823 CB ARG A 50 8.021 1.440 1.520 1.00 0.00 C ATOM 824 CG ARG A 50 9.272 0.548 1.472 1.00 0.00 C ATOM 825 CD ARG A 50 10.535 1.322 1.076 1.00 0.00 C ATOM 826 NE ARG A 50 10.416 1.890 -0.276 1.00 0.00 N ATOM 827 CZ ARG A 50 11.420 2.446 -0.969 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.653 2.493 -0.453 1.00 0.00 N ATOM 829 NH2 ARG A 50 11.181 2.971 -2.175 1.00 0.00 N ATOM 0 H ARG A 50 7.251 -0.400 2.955 1.00 0.00 H new ATOM 0 HA ARG A 50 8.303 2.103 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.235 0.982 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.252 2.401 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.424 0.089 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.109 -0.262 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.713 2.123 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.398 0.658 1.118 1.00 0.00 H new ATOM 0 HE ARG A 50 9.499 1.858 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.834 2.104 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.413 2.917 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.238 2.947 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.941 3.395 -2.706 1.00 0.00 H new ATOM 843 N LEU A 51 5.234 2.329 2.255 1.00 0.00 N ATOM 844 CA LEU A 51 4.029 3.125 2.179 1.00 0.00 C ATOM 845 C LEU A 51 3.554 3.594 3.556 1.00 0.00 C ATOM 846 O LEU A 51 3.331 4.787 3.748 1.00 0.00 O ATOM 847 CB LEU A 51 2.988 2.266 1.457 1.00 0.00 C ATOM 848 CG LEU A 51 3.156 2.348 -0.068 1.00 0.00 C ATOM 849 CD1 LEU A 51 4.578 2.331 -0.645 1.00 0.00 C ATOM 850 CD2 LEU A 51 2.309 1.261 -0.738 1.00 0.00 C ATOM 0 H LEU A 51 5.173 1.461 1.723 1.00 0.00 H new ATOM 0 HA LEU A 51 4.209 4.048 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.082 1.229 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.987 2.596 1.733 1.00 0.00 H new ATOM 0 HG LEU A 51 2.812 3.355 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.530 2.395 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.139 3.181 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.076 1.405 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.430 1.321 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.634 0.280 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.260 1.407 -0.481 1.00 0.00 H new ATOM 862 N ILE A 52 3.394 2.685 4.517 1.00 0.00 N ATOM 863 CA ILE A 52 2.937 3.037 5.857 1.00 0.00 C ATOM 864 C ILE A 52 3.905 4.040 6.492 1.00 0.00 C ATOM 865 O ILE A 52 3.489 5.106 6.941 1.00 0.00 O ATOM 866 CB ILE A 52 2.751 1.762 6.702 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.604 0.914 6.125 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.447 2.102 8.170 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.685 -0.546 6.580 1.00 0.00 C ATOM 0 H ILE A 52 3.577 1.690 4.388 1.00 0.00 H new ATOM 0 HA ILE A 52 1.964 3.525 5.805 1.00 0.00 H new ATOM 0 HB ILE A 52 3.683 1.198 6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.649 1.338 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.634 0.957 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.321 1.180 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.273 2.677 8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.531 2.690 8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.856 -1.108 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.629 -0.979 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.628 -0.592 7.668 1.00 0.00 H new ATOM 881 N LYS A 53 5.200 3.714 6.509 1.00 0.00 N ATOM 882 CA LYS A 53 6.239 4.558 7.079 1.00 0.00 C ATOM 883 C LYS A 53 6.188 5.972 6.490 1.00 0.00 C ATOM 884 O LYS A 53 6.336 6.951 7.224 1.00 0.00 O ATOM 885 CB LYS A 53 7.603 3.880 6.889 1.00 0.00 C ATOM 886 CG LYS A 53 8.703 4.626 7.651 1.00 0.00 C ATOM 887 CD LYS A 53 10.077 3.958 7.504 1.00 0.00 C ATOM 888 CE LYS A 53 10.186 2.678 8.342 1.00 0.00 C ATOM 889 NZ LYS A 53 11.524 2.072 8.224 1.00 0.00 N ATOM 0 H LYS A 53 5.556 2.841 6.119 1.00 0.00 H new ATOM 0 HA LYS A 53 6.071 4.676 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.551 2.848 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.851 3.846 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.761 5.652 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.438 4.677 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.254 3.721 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.855 4.658 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.979 2.907 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.431 1.963 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.566 1.208 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.710 1.832 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.241 2.747 8.557 1.00 0.00 H new ATOM 903 N LYS A 54 5.965 6.084 5.178 1.00 0.00 N ATOM 904 CA LYS A 54 5.890 7.363 4.479 1.00 0.00 C ATOM 905 C LYS A 54 4.496 8.016 4.559 1.00 0.00 C ATOM 906 O LYS A 54 4.235 8.992 3.852 1.00 0.00 O ATOM 907 CB LYS A 54 6.307 7.144 3.022 1.00 0.00 C ATOM 908 CG LYS A 54 7.734 6.593 2.878 1.00 0.00 C ATOM 909 CD LYS A 54 7.968 6.199 1.417 1.00 0.00 C ATOM 910 CE LYS A 54 9.316 5.501 1.221 1.00 0.00 C ATOM 911 NZ LYS A 54 9.430 4.924 -0.131 1.00 0.00 N ATOM 0 H LYS A 54 5.830 5.278 4.567 1.00 0.00 H new ATOM 0 HA LYS A 54 6.569 8.060 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.608 6.453 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.233 8.089 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.461 7.344 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.872 5.729 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.166 5.539 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.926 7.090 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.124 6.214 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.432 4.713 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.434 4.828 -0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.978 3.988 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.959 5.549 -0.816 1.00 0.00 H new ATOM 925 N GLY A 55 3.590 7.482 5.387 1.00 0.00 N ATOM 926 CA GLY A 55 2.251 8.019 5.582 1.00 0.00 C ATOM 927 C GLY A 55 1.366 7.916 4.337 1.00 0.00 C ATOM 928 O GLY A 55 0.426 8.694 4.186 1.00 0.00 O ATOM 0 H GLY A 55 3.777 6.650 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.771 7.488 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.327 9.065 5.879 1.00 0.00 H new ATOM 932 N ALA A 56 1.641 6.947 3.459 1.00 0.00 N ATOM 933 CA ALA A 56 0.882 6.714 2.238 1.00 0.00 C ATOM 934 C ALA A 56 -0.397 5.931 2.544 1.00 0.00 C ATOM 935 O ALA A 56 -1.464 6.213 2.001 1.00 0.00 O ATOM 936 CB ALA A 56 1.742 5.940 1.231 1.00 0.00 C ATOM 0 H ALA A 56 2.413 6.293 3.584 1.00 0.00 H new ATOM 0 HA ALA A 56 0.605 7.677 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.169 5.768 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.635 6.519 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.034 4.982 1.662 1.00 0.00 H new ATOM 942 N LEU A 57 -0.277 4.918 3.403 1.00 0.00 N ATOM 943 CA LEU A 57 -1.365 4.043 3.811 1.00 0.00 C ATOM 944 C LEU A 57 -1.487 4.090 5.330 1.00 0.00 C ATOM 945 O LEU A 57 -0.480 4.080 6.034 1.00 0.00 O ATOM 946 CB LEU A 57 -1.058 2.602 3.369 1.00 0.00 C ATOM 947 CG LEU A 57 -1.856 2.108 2.152 1.00 0.00 C ATOM 948 CD1 LEU A 57 -1.697 2.962 0.888 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.393 0.684 1.829 1.00 0.00 C ATOM 0 H LEU A 57 0.611 4.680 3.845 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.297 4.370 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.005 2.527 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.252 1.933 4.207 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.909 2.166 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.296 2.536 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.033 3.979 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.649 2.979 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.945 0.309 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.327 0.691 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.577 0.038 2.687 1.00 0.00 H new ATOM 961 N ASN A 58 -2.725 4.131 5.818 1.00 0.00 N ATOM 962 CA ASN A 58 -3.071 4.021 7.228 1.00 0.00 C ATOM 963 C ASN A 58 -3.670 2.626 7.391 1.00 0.00 C ATOM 964 O ASN A 58 -4.214 2.112 6.415 1.00 0.00 O ATOM 965 CB ASN A 58 -4.095 5.105 7.577 1.00 0.00 C ATOM 966 CG ASN A 58 -4.712 4.854 8.949 1.00 0.00 C ATOM 967 OD1 ASN A 58 -4.139 5.230 9.965 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.860 4.184 8.998 1.00 0.00 N ATOM 0 H ASN A 58 -3.542 4.246 5.218 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.214 4.157 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.613 6.083 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.879 5.126 6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.287 3.970 9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.313 3.884 8.135 1.00 0.00 H new ATOM 975 N HIS A 59 -3.559 1.984 8.558 1.00 0.00 N ATOM 976 CA HIS A 59 -4.171 0.675 8.771 1.00 0.00 C ATOM 977 C HIS A 59 -4.874 0.581 10.115 1.00 0.00 C ATOM 978 O HIS A 59 -4.617 1.377 11.016 1.00 0.00 O ATOM 979 CB HIS A 59 -3.182 -0.473 8.564 1.00 0.00 C ATOM 980 CG HIS A 59 -2.152 -0.621 9.646 1.00 0.00 C ATOM 981 ND1 HIS A 59 -2.381 -1.442 10.749 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.899 -0.080 9.741 1.00 0.00 C ATOM 983 CE1 HIS A 59 -1.262 -1.355 11.473 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.343 -0.552 10.913 1.00 0.00 N ATOM 0 H HIS A 59 -3.053 2.350 9.364 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.938 0.569 8.004 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.741 -1.405 8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.670 -0.326 7.613 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.433 0.590 9.033 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.112 -1.874 12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.583 -0.334 11.281 1.00 0.00 H new ATOM 992 N HIS A 60 -5.791 -0.383 10.205 1.00 0.00 N ATOM 993 CA HIS A 60 -6.588 -0.676 11.390 1.00 0.00 C ATOM 994 C HIS A 60 -6.782 -2.187 11.502 1.00 0.00 C ATOM 995 O HIS A 60 -6.822 -2.876 10.485 1.00 0.00 O ATOM 996 CB HIS A 60 -7.922 0.076 11.366 1.00 0.00 C ATOM 997 CG HIS A 60 -8.859 -0.378 10.280 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.806 -1.376 10.504 1.00 0.00 N ATOM 999 CD2 HIS A 60 -8.972 0.064 8.991 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.469 -1.481 9.349 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -10.014 -0.633 8.413 1.00 0.00 N ATOM 0 H HIS A 60 -6.005 -1.003 9.424 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.058 -0.327 12.276 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.414 -0.046 12.331 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.725 1.141 11.241 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.361 0.817 8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.282 -2.173 9.186 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.368 -0.525 7.463 1.00 0.00 H new ATOM 1009 N LYS A 61 -6.847 -2.714 12.728 1.00 0.00 N ATOM 1010 CA LYS A 61 -6.975 -4.144 12.973 1.00 0.00 C ATOM 1011 C LYS A 61 -8.446 -4.551 12.863 1.00 0.00 C ATOM 1012 O LYS A 61 -9.224 -4.344 13.794 1.00 0.00 O ATOM 1013 CB LYS A 61 -6.418 -4.485 14.362 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.906 -4.224 14.448 1.00 0.00 C ATOM 1015 CD LYS A 61 -4.349 -4.502 15.851 1.00 0.00 C ATOM 1016 CE LYS A 61 -4.456 -5.982 16.242 1.00 0.00 C ATOM 1017 NZ LYS A 61 -3.779 -6.247 17.524 1.00 0.00 N ATOM 0 H LYS A 61 -6.812 -2.153 13.579 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.403 -4.697 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.933 -3.891 15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.620 -5.532 14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.389 -4.852 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.702 -3.188 14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.304 -4.193 15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.889 -3.897 16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.506 -6.266 16.317 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.014 -6.600 15.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.868 -7.255 17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.772 -5.998 17.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.218 -5.674 18.273 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.829 -5.177 11.745 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.200 -5.606 11.531 1.00 0.00 C ATOM 1033 C GLU A 62 -10.334 -6.989 12.174 1.00 0.00 C ATOM 1034 O GLU A 62 -10.350 -8.025 11.507 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.505 -5.586 10.020 1.00 0.00 C ATOM 1036 CG GLU A 62 -12.000 -5.519 9.693 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.778 -6.746 10.159 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -12.878 -7.699 9.356 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -13.266 -6.703 11.309 1.00 0.00 O ATOM 0 H GLU A 62 -8.198 -5.395 10.974 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.933 -4.943 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.005 -4.729 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.082 -6.480 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.426 -4.630 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.124 -5.407 8.616 1.00 0.00 H new ATOM 1046 N GLY A 63 -10.449 -6.976 13.504 1.00 0.00 N ATOM 1047 CA GLY A 63 -10.631 -8.152 14.338 1.00 0.00 C ATOM 1048 C GLY A 63 -9.442 -9.115 14.298 1.00 0.00 C ATOM 1049 O GLY A 63 -8.714 -9.239 15.284 1.00 0.00 O ATOM 0 H GLY A 63 -10.416 -6.111 14.043 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.799 -7.836 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.528 -8.681 14.017 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.292 -9.839 13.187 1.00 0.00 N ATOM 1054 CA ARG A 64 -8.266 -10.852 12.964 1.00 0.00 C ATOM 1055 C ARG A 64 -7.189 -10.336 12.009 1.00 0.00 C ATOM 1056 O ARG A 64 -6.002 -10.445 12.304 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.902 -12.138 12.422 1.00 0.00 C ATOM 1058 CG ARG A 64 -9.183 -13.170 13.524 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.412 -12.888 14.399 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.143 -11.829 15.374 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.984 -11.399 16.322 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.162 -12.002 16.515 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.623 -10.348 17.063 1.00 0.00 N ATOM 0 H ARG A 64 -9.911 -9.728 12.384 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.788 -11.075 13.918 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.835 -11.891 11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.241 -12.579 11.677 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.308 -14.148 13.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.307 -13.234 14.169 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.251 -12.598 13.767 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.706 -13.799 14.921 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.230 -11.377 15.326 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.428 -12.799 15.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.795 -11.665 17.241 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.725 -9.893 16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.246 -10.000 17.792 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.599 -9.797 10.858 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.691 -9.291 9.837 1.00 0.00 C ATOM 1079 C VAL A 65 -6.692 -7.770 9.903 1.00 0.00 C ATOM 1080 O VAL A 65 -7.713 -7.166 10.221 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.115 -9.779 8.437 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -6.835 -11.275 8.269 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.595 -9.513 8.128 1.00 0.00 C ATOM 0 H VAL A 65 -8.584 -9.701 10.610 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.684 -9.667 10.020 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.516 -9.203 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.143 -11.593 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.769 -11.462 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.393 -11.836 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.830 -9.880 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.218 -10.029 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.790 -8.442 8.176 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.554 -7.133 9.627 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.504 -5.682 9.582 1.00 0.00 C ATOM 1095 C PHE A 66 -5.766 -5.240 8.147 1.00 0.00 C ATOM 1096 O PHE A 66 -5.386 -5.928 7.196 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.241 -5.110 10.234 1.00 0.00 C ATOM 1098 CG PHE A 66 -2.898 -5.615 9.744 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.451 -6.895 10.128 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -1.987 -4.707 9.173 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -1.135 -7.300 9.847 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.650 -5.087 8.965 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.233 -6.394 9.265 1.00 0.00 C ATOM 0 H PHE A 66 -4.667 -7.598 9.434 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.293 -5.254 10.201 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.259 -4.028 10.104 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.301 -5.304 11.305 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.123 -7.568 10.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.316 -3.717 8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.818 -8.306 10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.058 -4.372 8.573 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.779 -6.702 9.049 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.492 -4.131 8.011 1.00 0.00 N ATOM 1114 CA VAL A 67 -6.939 -3.566 6.755 1.00 0.00 C ATOM 1115 C VAL A 67 -6.221 -2.248 6.514 1.00 0.00 C ATOM 1116 O VAL A 67 -6.079 -1.452 7.442 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.469 -3.406 6.807 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.023 -2.402 5.785 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.137 -4.761 6.552 1.00 0.00 C ATOM 0 H VAL A 67 -6.794 -3.582 8.816 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.699 -4.221 5.917 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.696 -3.021 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.107 -2.344 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.589 -1.419 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.767 -2.729 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.220 -4.645 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.845 -5.131 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.821 -5.472 7.316 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.794 -2.034 5.266 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.103 -0.839 4.819 1.00 0.00 C ATOM 1131 C TYR A 68 -6.104 0.101 4.159 1.00 0.00 C ATOM 1132 O TYR A 68 -6.743 -0.269 3.173 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.022 -1.199 3.795 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.004 -2.199 4.290 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.078 -1.833 5.282 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.033 -3.520 3.814 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.285 -2.817 5.898 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -2.166 -4.475 4.359 1.00 0.00 C ATOM 1139 CZ TYR A 68 -1.341 -4.142 5.440 1.00 0.00 C ATOM 1140 OH TYR A 68 -0.639 -5.121 6.067 1.00 0.00 O ATOM 0 H TYR A 68 -5.929 -2.716 4.520 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.639 -0.359 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.503 -1.599 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.503 -0.288 3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.976 -0.797 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.722 -3.798 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.636 -2.554 6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.134 -5.472 3.944 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.701 -4.998 7.037 1.00 0.00 H new ATOM 1150 N THR A 69 -6.213 1.307 4.706 1.00 0.00 N ATOM 1151 CA THR A 69 -7.009 2.420 4.227 1.00 0.00 C ATOM 1152 C THR A 69 -6.031 3.388 3.547 1.00 0.00 C ATOM 1153 O THR A 69 -5.175 3.942 4.246 1.00 0.00 O ATOM 1154 CB THR A 69 -7.664 3.104 5.437 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.705 3.265 6.466 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.822 2.274 5.992 1.00 0.00 C ATOM 0 H THR A 69 -5.707 1.545 5.559 1.00 0.00 H new ATOM 0 HA THR A 69 -7.789 2.104 3.534 1.00 0.00 H new ATOM 0 HB THR A 69 -8.046 4.069 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.820 3.407 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.261 2.788 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.579 2.143 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.452 1.298 6.307 1.00 0.00 H new ATOM 1164 N PRO A 70 -6.089 3.572 2.218 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.211 4.496 1.520 1.00 0.00 C ATOM 1166 C PRO A 70 -5.340 5.913 2.079 1.00 0.00 C ATOM 1167 O PRO A 70 -6.456 6.404 2.232 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.605 4.432 0.046 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.180 3.025 -0.070 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.894 2.828 1.266 1.00 0.00 C ATOM 0 HA PRO A 70 -4.165 4.221 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.339 5.195 -0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.748 4.578 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.868 2.939 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.397 2.282 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.916 3.205 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.952 1.773 1.534 1.00 0.00 H new ATOM 1178 N ASN A 71 -4.217 6.566 2.391 1.00 0.00 N ATOM 1179 CA ASN A 71 -4.222 7.921 2.933 1.00 0.00 C ATOM 1180 C ASN A 71 -4.221 8.947 1.797 1.00 0.00 C ATOM 1181 O ASN A 71 -4.825 10.009 1.915 1.00 0.00 O ATOM 1182 CB ASN A 71 -3.004 8.106 3.846 1.00 0.00 C ATOM 1183 CG ASN A 71 -3.100 9.333 4.745 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -4.180 9.791 5.100 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -1.952 9.855 5.160 1.00 0.00 N ATOM 0 H ASN A 71 -3.284 6.169 2.274 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.127 8.077 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.887 7.218 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.107 8.185 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.955 10.657 5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.067 9.454 4.849 1.00 0.00 H new ATOM 1192 N ILE A 72 -3.534 8.623 0.694 1.00 0.00 N ATOM 1193 CA ILE A 72 -3.406 9.459 -0.497 1.00 0.00 C ATOM 1194 C ILE A 72 -4.139 8.824 -1.692 1.00 0.00 C ATOM 1195 O ILE A 72 -4.500 7.643 -1.661 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.923 9.778 -0.794 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -1.175 8.707 -1.599 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -1.138 10.145 0.475 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -1.167 7.320 -0.964 1.00 0.00 C ATOM 0 H ILE A 72 -3.035 7.738 0.608 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.892 10.416 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.974 10.653 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.626 8.636 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.144 9.032 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.102 10.360 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.585 11.025 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.169 9.311 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.616 6.630 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.688 7.370 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.192 6.967 -0.848 1.00 0.00 H new ATOM 1211 N ASP A 73 -4.404 9.630 -2.725 1.00 0.00 N ATOM 1212 CA ASP A 73 -5.038 9.225 -3.978 1.00 0.00 C ATOM 1213 C ASP A 73 -3.996 9.248 -5.101 1.00 0.00 C ATOM 1214 O ASP A 73 -3.005 9.965 -4.998 1.00 0.00 O ATOM 1215 CB ASP A 73 -6.188 10.190 -4.303 1.00 0.00 C ATOM 1216 CG ASP A 73 -6.711 9.994 -5.724 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -7.333 8.935 -5.953 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -6.417 10.867 -6.571 1.00 0.00 O ATOM 0 H ASP A 73 -4.172 10.623 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.438 8.216 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.001 10.038 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.845 11.217 -4.181 1.00 0.00 H new ATOM 1223 N GLU A 74 -4.251 8.500 -6.181 1.00 0.00 N ATOM 1224 CA GLU A 74 -3.420 8.396 -7.381 1.00 0.00 C ATOM 1225 C GLU A 74 -2.800 9.735 -7.786 1.00 0.00 C ATOM 1226 O GLU A 74 -1.585 9.862 -7.925 1.00 0.00 O ATOM 1227 CB GLU A 74 -4.277 7.856 -8.537 1.00 0.00 C ATOM 1228 CG GLU A 74 -4.667 6.394 -8.298 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.438 5.779 -9.463 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -6.218 6.524 -10.094 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -5.235 4.567 -9.697 1.00 0.00 O ATOM 0 H GLU A 74 -5.088 7.921 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.598 7.717 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.176 8.463 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.725 7.940 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.765 5.809 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.274 6.330 -7.395 1.00 0.00 H new ATOM 1238 N SER A 75 -3.646 10.744 -7.971 1.00 0.00 N ATOM 1239 CA SER A 75 -3.244 12.078 -8.385 1.00 0.00 C ATOM 1240 C SER A 75 -2.148 12.685 -7.511 1.00 0.00 C ATOM 1241 O SER A 75 -1.366 13.508 -7.980 1.00 0.00 O ATOM 1242 CB SER A 75 -4.491 12.968 -8.391 1.00 0.00 C ATOM 1243 OG SER A 75 -5.631 12.231 -8.806 1.00 0.00 O ATOM 0 H SER A 75 -4.652 10.651 -7.833 1.00 0.00 H new ATOM 0 HA SER A 75 -2.808 12.007 -9.382 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.658 13.375 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.336 13.815 -9.059 1.00 0.00 H new ATOM 0 HG SER A 75 -6.068 11.836 -8.023 1.00 0.00 H new ATOM 1249 N ASP A 76 -2.108 12.287 -6.242 1.00 0.00 N ATOM 1250 CA ASP A 76 -1.153 12.719 -5.247 1.00 0.00 C ATOM 1251 C ASP A 76 -0.418 11.489 -4.707 1.00 0.00 C ATOM 1252 O ASP A 76 -0.081 11.442 -3.526 1.00 0.00 O ATOM 1253 CB ASP A 76 -1.888 13.530 -4.166 1.00 0.00 C ATOM 1254 CG ASP A 76 -3.233 12.932 -3.752 1.00 0.00 C ATOM 1255 OD1 ASP A 76 -4.218 13.207 -4.472 1.00 0.00 O ATOM 1256 OD2 ASP A 76 -3.268 12.213 -2.732 1.00 0.00 O ATOM 0 H ASP A 76 -2.781 11.618 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.396 13.380 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.249 13.607 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.049 14.544 -4.533 1.00 0.00 H new ATOM 1261 N TYR A 77 -0.129 10.508 -5.579 1.00 0.00 N ATOM 1262 CA TYR A 77 0.600 9.310 -5.178 1.00 0.00 C ATOM 1263 C TYR A 77 1.944 9.689 -4.565 1.00 0.00 C ATOM 1264 O TYR A 77 2.411 9.006 -3.662 1.00 0.00 O ATOM 1265 CB TYR A 77 0.760 8.296 -6.323 1.00 0.00 C ATOM 1266 CG TYR A 77 1.917 8.508 -7.281 1.00 0.00 C ATOM 1267 CD1 TYR A 77 2.024 9.674 -8.060 1.00 0.00 C ATOM 1268 CD2 TYR A 77 2.918 7.524 -7.366 1.00 0.00 C ATOM 1269 CE1 TYR A 77 3.155 9.868 -8.873 1.00 0.00 C ATOM 1270 CE2 TYR A 77 4.018 7.690 -8.222 1.00 0.00 C ATOM 1271 CZ TYR A 77 4.139 8.870 -8.972 1.00 0.00 C ATOM 1272 OH TYR A 77 5.225 9.066 -9.772 1.00 0.00 O ATOM 0 H TYR A 77 -0.392 10.529 -6.564 1.00 0.00 H new ATOM 0 HA TYR A 77 0.003 8.805 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.863 7.304 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.163 8.293 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.241 10.417 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.839 6.630 -6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.268 10.790 -9.425 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.766 6.915 -8.303 1.00 0.00 H new ATOM 0 HH TYR A 77 5.810 8.281 -9.727 1.00 0.00 H new ATOM 1282 N ILE A 78 2.556 10.764 -5.075 1.00 0.00 N ATOM 1283 CA ILE A 78 3.770 11.358 -4.534 1.00 0.00 C ATOM 1284 C ILE A 78 3.423 12.809 -4.218 1.00 0.00 C ATOM 1285 O ILE A 78 3.257 13.620 -5.128 1.00 0.00 O ATOM 1286 CB ILE A 78 4.955 11.246 -5.517 1.00 0.00 C ATOM 1287 CG1 ILE A 78 5.408 9.779 -5.593 1.00 0.00 C ATOM 1288 CG2 ILE A 78 6.135 12.129 -5.071 1.00 0.00 C ATOM 1289 CD1 ILE A 78 6.581 9.568 -6.557 1.00 0.00 C ATOM 0 H ILE A 78 2.205 11.254 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 78 4.099 10.831 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 78 4.627 11.591 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.696 9.441 -4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.568 9.160 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.954 12.029 -5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.815 13.170 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.472 11.814 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.857 8.514 -6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.288 9.878 -7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.433 10.162 -6.228 1.00 0.00 H new ATOM 1301 N GLU A 79 3.287 13.141 -2.934 1.00 0.00 N ATOM 1302 CA GLU A 79 3.032 14.498 -2.515 1.00 0.00 C ATOM 1303 C GLU A 79 4.367 15.237 -2.618 1.00 0.00 C ATOM 1304 O GLU A 79 5.189 15.170 -1.705 1.00 0.00 O ATOM 1305 CB GLU A 79 2.516 14.452 -1.075 1.00 0.00 C ATOM 1306 CG GLU A 79 1.161 13.742 -0.964 1.00 0.00 C ATOM 1307 CD GLU A 79 0.781 13.541 0.497 1.00 0.00 C ATOM 1308 OE1 GLU A 79 1.199 12.497 1.042 1.00 0.00 O ATOM 1309 OE2 GLU A 79 0.100 14.435 1.045 1.00 0.00 O ATOM 0 H GLU A 79 3.352 12.472 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 79 2.287 15.008 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.245 13.940 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.423 15.468 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.394 14.330 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.207 12.778 -1.470 1.00 0.00 H new ATOM 1316 N VAL A 80 4.570 15.963 -3.717 1.00 0.00 N ATOM 1317 CA VAL A 80 5.825 16.650 -3.979 1.00 0.00 C ATOM 1318 C VAL A 80 5.965 17.880 -3.076 1.00 0.00 C ATOM 1319 O VAL A 80 5.083 18.735 -3.041 1.00 0.00 O ATOM 1320 CB VAL A 80 5.953 16.968 -5.482 1.00 0.00 C ATOM 1321 CG1 VAL A 80 4.878 17.928 -6.011 1.00 0.00 C ATOM 1322 CG2 VAL A 80 7.344 17.527 -5.805 1.00 0.00 C ATOM 0 H VAL A 80 3.868 16.089 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 80 6.662 15.998 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 80 5.803 16.016 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.037 18.101 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.892 17.490 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.941 18.875 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.410 17.744 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.509 18.443 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.103 16.792 -5.536 1.00 0.00 H new ATOM 1332 N LYS A 81 7.073 17.934 -2.332 1.00 0.00 N ATOM 1333 CA LYS A 81 7.457 18.991 -1.408 1.00 0.00 C ATOM 1334 C LYS A 81 8.817 18.584 -0.825 1.00 0.00 C ATOM 1335 O LYS A 81 9.772 18.411 -1.581 1.00 0.00 O ATOM 1336 CB LYS A 81 6.371 19.251 -0.342 1.00 0.00 C ATOM 1337 CG LYS A 81 5.807 17.964 0.280 1.00 0.00 C ATOM 1338 CD LYS A 81 5.100 18.282 1.603 1.00 0.00 C ATOM 1339 CE LYS A 81 4.681 16.998 2.325 1.00 0.00 C ATOM 1340 NZ LYS A 81 3.808 16.158 1.490 1.00 0.00 N ATOM 0 H LYS A 81 7.768 17.188 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 81 7.552 19.951 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.790 19.875 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.555 19.815 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.107 17.494 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.613 17.251 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.764 18.863 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.222 18.898 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.570 16.432 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.163 17.254 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.479 15.342 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.989 16.715 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.339 15.822 0.661 1.00 0.00 H new ATOM 1354 N SER A 82 8.916 18.404 0.490 1.00 0.00 N ATOM 1355 CA SER A 82 10.065 17.951 1.247 1.00 0.00 C ATOM 1356 C SER A 82 9.493 17.572 2.612 1.00 0.00 C ATOM 1357 O SER A 82 10.248 16.994 3.421 1.00 0.00 O ATOM 1358 CB SER A 82 11.110 19.061 1.389 1.00 0.00 C ATOM 1359 OG SER A 82 11.733 19.345 0.148 1.00 0.00 O ATOM 1360 OXT SER A 82 8.292 17.875 2.812 1.00 0.00 O ATOM 0 H SER A 82 8.120 18.590 1.100 1.00 0.00 H new ATOM 0 HA SER A 82 10.575 17.120 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.635 19.963 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.864 18.762 2.117 1.00 0.00 H new ATOM 0 HG SER A 82 11.200 18.963 -0.580 1.00 0.00 H new TER 1366 SER A 82