USER MOD reduce.3.24.130724 H: found=0, std=0, add=1178, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1226 hydrogens (52 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 147 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 149 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-6!) USER MOD Set 2.1: A 97 CYS SG : rot 40:sc= -2.47 USER MOD Set 2.2: A 99 CYS SG : rot -88:sc= 1.02 USER MOD Set 2.3: A 101 SER OG : rot -85:sc= 0.00607 USER MOD Set 2.4: A 145 CYS SG : rot 158:sc= -2.11 USER MOD Set 3.1: A 80 GLN : amide:sc= -3.03 K(o=-4.9,f=-0.46!) USER MOD Set 3.2: A 178 THR OG1 : rot 13:sc= -1.9 USER MOD Set 4.1: A 73 GLN : amide:sc= -2.14 K(o=-4.1,f=-3.3) USER MOD Set 4.2: A 76 THR OG1 : rot 139:sc= -1.91 USER MOD Single : A 22 THR OG1 : rot 26:sc= 0.418 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.482 K(o=0.48,f=-4!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -122:sc= -0.266 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 42 SER OG : rot 31:sc= 1.01 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -81:sc= -0.125 USER MOD Single : A 49 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.4!) USER MOD Single : A 52 CYS SG : rot 28:sc= -2.99! USER MOD Single : A 54 THR OG1 : rot 164:sc= -0.163 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -6.61! C(o=-6.6!,f=-9.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= -0.876 (180deg=-1.43) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0175 USER MOD Single : A 77 ASN : amide:sc= -1.63 K(o=-1.6,f=-15!) USER MOD Single : A 86 GLN : amide:sc=-0.00654 X(o=-0.0065,f=-0.14) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.97 USER MOD Single : A 98 THR OG1 : rot 59:sc= 0.0104 USER MOD Single : A 102 SER OG : rot 180:sc= -0.166 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -81:sc= -0.303 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 87:sc= 0.286 USER MOD Single : A 125 SER OG : rot 180:sc= -1.14 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 90:sc= -1.15 USER MOD Single : A 139 SER OG : rot -140:sc= -1.23 USER MOD Single : A 159 CYS SG : rot 25:sc= -2.23 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot -78:sc= 0.699 USER MOD Single : A 175 MET CE :methyl -109:sc= -2.95! (180deg=-5.15!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0026 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 100.234 29.499 10.395 1.00 0.00 N ATOM 2 CA THR A 22 99.369 28.330 10.726 1.00 0.00 C ATOM 3 C THR A 22 99.597 27.201 9.716 1.00 0.00 C ATOM 4 O THR A 22 100.048 26.127 10.065 1.00 0.00 O ATOM 5 CB THR A 22 97.937 28.856 10.630 1.00 0.00 C ATOM 6 OG1 THR A 22 97.820 30.047 11.397 1.00 0.00 O ATOM 7 CG2 THR A 22 96.965 27.804 11.165 1.00 0.00 C ATOM 0 HA THR A 22 99.586 27.921 11.713 1.00 0.00 H new ATOM 0 HB THR A 22 97.698 29.069 9.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 98.696 30.480 11.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 95.945 28.182 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 22 97.055 26.892 10.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 97.201 27.587 12.207 1.00 0.00 H new ATOM 15 N GLY A 23 99.290 27.442 8.467 1.00 0.00 N ATOM 16 CA GLY A 23 99.486 26.392 7.425 1.00 0.00 C ATOM 17 C GLY A 23 100.837 26.600 6.738 1.00 0.00 C ATOM 18 O GLY A 23 101.748 27.164 7.309 1.00 0.00 O ATOM 0 H GLY A 23 98.911 28.324 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 99.446 25.402 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 98.682 26.439 6.691 1.00 0.00 H new ATOM 22 N ARG A 24 100.965 26.150 5.510 1.00 0.00 N ATOM 23 CA ARG A 24 102.253 26.309 4.751 1.00 0.00 C ATOM 24 C ARG A 24 103.411 25.623 5.487 1.00 0.00 C ATOM 25 O ARG A 24 103.774 25.994 6.586 1.00 0.00 O ATOM 26 CB ARG A 24 102.497 27.821 4.640 1.00 0.00 C ATOM 27 CG ARG A 24 103.665 28.081 3.687 1.00 0.00 C ATOM 28 CD ARG A 24 103.746 29.577 3.369 1.00 0.00 C ATOM 29 NE ARG A 24 103.980 30.244 4.687 1.00 0.00 N ATOM 30 CZ ARG A 24 103.671 31.511 4.879 1.00 0.00 C ATOM 31 NH1 ARG A 24 103.334 32.293 3.879 1.00 0.00 N ATOM 32 NH2 ARG A 24 103.703 32.002 6.088 1.00 0.00 N ATOM 0 H ARG A 24 100.225 25.674 4.995 1.00 0.00 H new ATOM 0 HA ARG A 24 102.191 25.844 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 24 101.599 28.319 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 24 102.716 28.238 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 24 104.598 27.744 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 103.532 27.510 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 24 104.556 29.788 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 24 102.825 29.932 2.906 1.00 0.00 H new ATOM 0 HE ARG A 24 104.387 29.707 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 24 103.307 31.923 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 24 103.099 33.270 4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 24 103.965 31.407 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 24 103.466 32.981 6.247 1.00 0.00 H new ATOM 46 N ASP A 25 103.999 24.619 4.877 1.00 0.00 N ATOM 47 CA ASP A 25 105.144 23.887 5.516 1.00 0.00 C ATOM 48 C ASP A 25 104.763 23.397 6.919 1.00 0.00 C ATOM 49 O ASP A 25 105.482 23.614 7.877 1.00 0.00 O ATOM 50 CB ASP A 25 106.289 24.904 5.594 1.00 0.00 C ATOM 51 CG ASP A 25 106.770 25.240 4.181 1.00 0.00 C ATOM 52 OD1 ASP A 25 107.134 26.384 3.957 1.00 0.00 O ATOM 53 OD2 ASP A 25 106.768 24.349 3.348 1.00 0.00 O ATOM 0 H ASP A 25 103.733 24.272 3.956 1.00 0.00 H new ATOM 0 HA ASP A 25 105.425 23.004 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 25 105.952 25.809 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 25 107.111 24.497 6.183 1.00 0.00 H new ATOM 58 N LYS A 26 103.639 22.737 7.041 1.00 0.00 N ATOM 59 CA LYS A 26 103.204 22.226 8.376 1.00 0.00 C ATOM 60 C LYS A 26 103.197 20.692 8.379 1.00 0.00 C ATOM 61 O LYS A 26 102.517 20.066 7.588 1.00 0.00 O ATOM 62 CB LYS A 26 101.785 22.771 8.563 1.00 0.00 C ATOM 63 CG LYS A 26 101.229 22.318 9.916 1.00 0.00 C ATOM 64 CD LYS A 26 99.752 22.705 10.018 1.00 0.00 C ATOM 65 CE LYS A 26 99.122 22.002 11.221 1.00 0.00 C ATOM 66 NZ LYS A 26 98.539 20.746 10.670 1.00 0.00 N ATOM 0 H LYS A 26 103.002 22.530 6.271 1.00 0.00 H new ATOM 0 HA LYS A 26 103.871 22.541 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 26 101.794 23.860 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 26 101.141 22.417 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 26 101.341 21.239 10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 101.793 22.780 10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 26 99.655 23.786 10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 26 99.228 22.425 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 26 99.866 21.789 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 26 98.356 22.623 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 98.087 20.207 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 97.829 20.981 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 99.293 20.172 10.241 1.00 0.00 H new ATOM 80 N ASN A 27 103.945 20.083 9.270 1.00 0.00 N ATOM 81 CA ASN A 27 103.988 18.584 9.343 1.00 0.00 C ATOM 82 C ASN A 27 104.277 17.977 7.957 1.00 0.00 C ATOM 83 O ASN A 27 104.937 18.584 7.137 1.00 0.00 O ATOM 84 CB ASN A 27 102.597 18.177 9.845 1.00 0.00 C ATOM 85 CG ASN A 27 102.714 16.937 10.732 1.00 0.00 C ATOM 86 OD1 ASN A 27 102.780 15.828 10.240 1.00 0.00 O ATOM 87 ND2 ASN A 27 102.744 17.077 12.029 1.00 0.00 N ATOM 0 H ASN A 27 104.531 20.562 9.954 1.00 0.00 H new ATOM 0 HA ASN A 27 104.780 18.225 10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.148 18.997 10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 27 101.940 17.971 9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 27 102.823 16.256 12.629 1.00 0.00 H new ATOM 0 HD22 ASN A 27 102.689 18.008 12.443 1.00 0.00 H new ATOM 94 N GLN A 28 103.784 16.785 7.688 1.00 0.00 N ATOM 95 CA GLN A 28 104.018 16.121 6.357 1.00 0.00 C ATOM 96 C GLN A 28 105.497 15.781 6.174 1.00 0.00 C ATOM 97 O GLN A 28 105.894 14.633 6.240 1.00 0.00 O ATOM 98 CB GLN A 28 103.546 17.119 5.279 1.00 0.00 C ATOM 99 CG GLN A 28 102.514 16.449 4.360 1.00 0.00 C ATOM 100 CD GLN A 28 101.111 16.958 4.700 1.00 0.00 C ATOM 101 OE1 GLN A 28 100.461 16.437 5.585 1.00 0.00 O ATOM 102 NE2 GLN A 28 100.614 17.962 4.031 1.00 0.00 N ATOM 0 H GLN A 28 103.223 16.238 8.341 1.00 0.00 H new ATOM 0 HA GLN A 28 103.469 15.182 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 28 103.108 17.998 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 28 104.398 17.464 4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 28 102.747 16.665 3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 28 102.557 15.366 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 28 101.159 18.400 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 28 99.680 18.309 4.251 1.00 0.00 H new ATOM 111 N VAL A 29 106.310 16.771 5.937 1.00 0.00 N ATOM 112 CA VAL A 29 107.781 16.536 5.734 1.00 0.00 C ATOM 113 C VAL A 29 108.006 15.490 4.631 1.00 0.00 C ATOM 114 O VAL A 29 108.425 14.378 4.894 1.00 0.00 O ATOM 115 CB VAL A 29 108.308 16.027 7.084 1.00 0.00 C ATOM 116 CG1 VAL A 29 109.816 15.782 6.990 1.00 0.00 C ATOM 117 CG2 VAL A 29 108.035 17.075 8.168 1.00 0.00 C ATOM 0 H VAL A 29 106.022 17.747 5.873 1.00 0.00 H new ATOM 0 HA VAL A 29 108.299 17.442 5.420 1.00 0.00 H new ATOM 0 HB VAL A 29 107.803 15.095 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 29 110.186 15.421 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 29 110.016 15.037 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 29 110.321 16.713 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 29 108.409 16.714 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 108.539 18.006 7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 29 106.962 17.252 8.241 1.00 0.00 H new ATOM 127 N GLU A 30 107.723 15.844 3.403 1.00 0.00 N ATOM 128 CA GLU A 30 107.912 14.880 2.275 1.00 0.00 C ATOM 129 C GLU A 30 109.398 14.557 2.092 1.00 0.00 C ATOM 130 O GLU A 30 110.256 15.379 2.351 1.00 0.00 O ATOM 131 CB GLU A 30 107.360 15.597 1.038 1.00 0.00 C ATOM 132 CG GLU A 30 107.464 14.678 -0.181 1.00 0.00 C ATOM 133 CD GLU A 30 106.909 15.398 -1.411 1.00 0.00 C ATOM 134 OE1 GLU A 30 105.732 15.234 -1.687 1.00 0.00 O ATOM 135 OE2 GLU A 30 107.670 16.099 -2.056 1.00 0.00 O ATOM 0 H GLU A 30 107.368 16.761 3.132 1.00 0.00 H new ATOM 0 HA GLU A 30 107.404 13.933 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.321 15.881 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 30 107.917 16.517 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 30 108.503 14.396 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 30 106.909 13.757 -0.004 1.00 0.00 H new ATOM 142 N GLY A 31 109.701 13.365 1.647 1.00 0.00 N ATOM 143 CA GLY A 31 111.128 12.976 1.440 1.00 0.00 C ATOM 144 C GLY A 31 111.230 12.004 0.263 1.00 0.00 C ATOM 145 O GLY A 31 111.255 12.407 -0.885 1.00 0.00 O ATOM 0 H GLY A 31 109.019 12.642 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 111.732 13.862 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 111.523 12.512 2.343 1.00 0.00 H new ATOM 149 N GLU A 32 111.289 10.726 0.541 1.00 0.00 N ATOM 150 CA GLU A 32 111.392 9.714 -0.557 1.00 0.00 C ATOM 151 C GLU A 32 111.179 8.302 0.000 1.00 0.00 C ATOM 152 O GLU A 32 110.542 7.470 -0.620 1.00 0.00 O ATOM 153 CB GLU A 32 112.813 9.866 -1.105 1.00 0.00 C ATOM 154 CG GLU A 32 112.791 9.742 -2.630 1.00 0.00 C ATOM 155 CD GLU A 32 112.545 11.118 -3.250 1.00 0.00 C ATOM 156 OE1 GLU A 32 111.683 11.214 -4.106 1.00 0.00 O ATOM 157 OE2 GLU A 32 113.223 12.053 -2.856 1.00 0.00 O ATOM 0 H GLU A 32 111.270 10.338 1.484 1.00 0.00 H new ATOM 0 HA GLU A 32 110.638 9.866 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.224 10.833 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 32 113.462 9.102 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 32 113.737 9.335 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 32 112.009 9.048 -2.938 1.00 0.00 H new ATOM 164 N VAL A 33 111.713 8.029 1.163 1.00 0.00 N ATOM 165 CA VAL A 33 111.554 6.676 1.772 1.00 0.00 C ATOM 166 C VAL A 33 110.626 6.760 2.989 1.00 0.00 C ATOM 167 O VAL A 33 110.641 7.729 3.728 1.00 0.00 O ATOM 168 CB VAL A 33 112.971 6.263 2.185 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.948 4.906 2.902 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.846 6.162 0.932 1.00 0.00 C ATOM 0 H VAL A 33 112.255 8.690 1.719 1.00 0.00 H new ATOM 0 HA VAL A 33 111.110 5.953 1.088 1.00 0.00 H new ATOM 0 HB VAL A 33 113.376 7.011 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.962 4.628 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.326 4.976 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.539 4.148 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.856 5.869 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.428 5.416 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.877 7.129 0.431 1.00 0.00 H new ATOM 180 N GLN A 34 109.823 5.750 3.199 1.00 0.00 N ATOM 181 CA GLN A 34 108.889 5.756 4.363 1.00 0.00 C ATOM 182 C GLN A 34 109.233 4.615 5.327 1.00 0.00 C ATOM 183 O GLN A 34 109.696 3.564 4.920 1.00 0.00 O ATOM 184 CB GLN A 34 107.491 5.560 3.763 1.00 0.00 C ATOM 185 CG GLN A 34 107.433 4.245 2.980 1.00 0.00 C ATOM 186 CD GLN A 34 105.982 3.932 2.610 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.069 4.303 3.320 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.730 3.259 1.522 1.00 0.00 N ATOM 0 H GLN A 34 109.774 4.918 2.612 1.00 0.00 H new ATOM 0 HA GLN A 34 108.954 6.681 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 34 106.744 5.553 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 34 107.249 6.395 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 34 108.041 4.320 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.849 3.435 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.497 2.948 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 34 104.766 3.044 1.267 1.00 0.00 H new ATOM 197 N VAL A 35 109.005 4.819 6.599 1.00 0.00 N ATOM 198 CA VAL A 35 109.308 3.756 7.604 1.00 0.00 C ATOM 199 C VAL A 35 108.198 2.698 7.588 1.00 0.00 C ATOM 200 O VAL A 35 107.034 3.013 7.753 1.00 0.00 O ATOM 201 CB VAL A 35 109.344 4.478 8.956 1.00 0.00 C ATOM 202 CG1 VAL A 35 109.656 3.477 10.070 1.00 0.00 C ATOM 203 CG2 VAL A 35 110.429 5.559 8.931 1.00 0.00 C ATOM 0 H VAL A 35 108.620 5.680 6.987 1.00 0.00 H new ATOM 0 HA VAL A 35 110.248 3.244 7.397 1.00 0.00 H new ATOM 0 HB VAL A 35 108.373 4.936 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 35 109.680 3.995 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 35 108.885 2.707 10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 110.625 3.015 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 110.454 6.072 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 35 111.398 5.098 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 110.208 6.278 8.142 1.00 0.00 H new ATOM 213 N VAL A 36 108.547 1.450 7.391 1.00 0.00 N ATOM 214 CA VAL A 36 107.508 0.375 7.364 1.00 0.00 C ATOM 215 C VAL A 36 107.953 -0.824 8.207 1.00 0.00 C ATOM 216 O VAL A 36 109.102 -1.225 8.179 1.00 0.00 O ATOM 217 CB VAL A 36 107.366 -0.018 5.888 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.897 1.194 5.081 1.00 0.00 C ATOM 219 CG2 VAL A 36 108.715 -0.499 5.340 1.00 0.00 C ATOM 0 H VAL A 36 109.505 1.130 7.248 1.00 0.00 H new ATOM 0 HA VAL A 36 106.560 0.715 7.782 1.00 0.00 H new ATOM 0 HB VAL A 36 106.636 -0.823 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.796 0.916 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.933 1.533 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.627 1.998 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 36 108.604 -0.776 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 36 109.450 0.301 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 36 109.051 -1.365 5.910 1.00 0.00 H new ATOM 229 N SER A 37 107.045 -1.396 8.957 1.00 0.00 N ATOM 230 CA SER A 37 107.399 -2.570 9.809 1.00 0.00 C ATOM 231 C SER A 37 106.569 -3.790 9.403 1.00 0.00 C ATOM 232 O SER A 37 105.486 -3.664 8.863 1.00 0.00 O ATOM 233 CB SER A 37 107.058 -2.141 11.235 1.00 0.00 C ATOM 234 OG SER A 37 107.908 -1.068 11.617 1.00 0.00 O ATOM 0 H SER A 37 106.071 -1.099 9.015 1.00 0.00 H new ATOM 0 HA SER A 37 108.447 -2.852 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.014 -1.833 11.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.182 -2.980 11.919 1.00 0.00 H new ATOM 0 HG SER A 37 107.691 -0.788 12.531 1.00 0.00 H new ATOM 240 N THR A 38 107.075 -4.969 9.659 1.00 0.00 N ATOM 241 CA THR A 38 106.328 -6.210 9.293 1.00 0.00 C ATOM 242 C THR A 38 105.852 -6.927 10.553 1.00 0.00 C ATOM 243 O THR A 38 106.086 -6.478 11.660 1.00 0.00 O ATOM 244 CB THR A 38 107.330 -7.080 8.521 1.00 0.00 C ATOM 245 OG1 THR A 38 108.184 -6.250 7.745 1.00 0.00 O ATOM 246 CG2 THR A 38 106.580 -8.042 7.594 1.00 0.00 C ATOM 0 H THR A 38 107.977 -5.126 10.108 1.00 0.00 H new ATOM 0 HA THR A 38 105.443 -5.993 8.695 1.00 0.00 H new ATOM 0 HB THR A 38 107.924 -7.654 9.232 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.113 -6.500 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 107.297 -8.656 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.928 -8.684 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.980 -7.471 6.886 1.00 0.00 H new ATOM 254 N ALA A 39 105.173 -8.031 10.389 1.00 0.00 N ATOM 255 CA ALA A 39 104.659 -8.777 11.574 1.00 0.00 C ATOM 256 C ALA A 39 105.816 -9.264 12.455 1.00 0.00 C ATOM 257 O ALA A 39 105.734 -9.229 13.669 1.00 0.00 O ATOM 258 CB ALA A 39 103.884 -9.965 11.001 1.00 0.00 C ATOM 0 H ALA A 39 104.952 -8.449 9.485 1.00 0.00 H new ATOM 0 HA ALA A 39 104.031 -8.147 12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.476 -10.561 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.069 -9.600 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.554 -10.581 10.402 1.00 0.00 H new ATOM 264 N THR A 40 106.886 -9.726 11.856 1.00 0.00 N ATOM 265 CA THR A 40 108.042 -10.226 12.666 1.00 0.00 C ATOM 266 C THR A 40 109.317 -9.423 12.369 1.00 0.00 C ATOM 267 O THR A 40 110.184 -9.297 13.213 1.00 0.00 O ATOM 268 CB THR A 40 108.218 -11.692 12.252 1.00 0.00 C ATOM 269 OG1 THR A 40 109.317 -12.250 12.959 1.00 0.00 O ATOM 270 CG2 THR A 40 108.478 -11.786 10.745 1.00 0.00 C ATOM 0 H THR A 40 107.010 -9.779 10.845 1.00 0.00 H new ATOM 0 HA THR A 40 107.858 -10.120 13.735 1.00 0.00 H new ATOM 0 HB THR A 40 107.308 -12.243 12.489 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.432 -13.188 12.698 1.00 0.00 H new ATOM 0 HG21 THR A 40 108.602 -12.831 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.634 -11.360 10.203 1.00 0.00 H new ATOM 0 HG23 THR A 40 109.384 -11.233 10.497 1.00 0.00 H new ATOM 278 N GLN A 41 109.437 -8.884 11.182 1.00 0.00 N ATOM 279 CA GLN A 41 110.658 -8.092 10.835 1.00 0.00 C ATOM 280 C GLN A 41 110.276 -6.645 10.513 1.00 0.00 C ATOM 281 O GLN A 41 109.115 -6.288 10.529 1.00 0.00 O ATOM 282 CB GLN A 41 111.247 -8.781 9.603 1.00 0.00 C ATOM 283 CG GLN A 41 111.959 -10.066 10.030 1.00 0.00 C ATOM 284 CD GLN A 41 112.588 -10.733 8.805 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.654 -10.346 8.367 1.00 0.00 O ATOM 286 NE2 GLN A 41 111.969 -11.726 8.228 1.00 0.00 N ATOM 0 H GLN A 41 108.743 -8.958 10.438 1.00 0.00 H new ATOM 0 HA GLN A 41 111.372 -8.056 11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.456 -9.011 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.947 -8.114 9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.728 -9.840 10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.251 -10.746 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 41 111.075 -12.052 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 41 112.380 -12.177 7.410 1.00 0.00 H new ATOM 295 N SER A 42 111.245 -5.812 10.226 1.00 0.00 N ATOM 296 CA SER A 42 110.938 -4.384 9.905 1.00 0.00 C ATOM 297 C SER A 42 112.029 -3.787 9.008 1.00 0.00 C ATOM 298 O SER A 42 113.175 -3.677 9.399 1.00 0.00 O ATOM 299 CB SER A 42 110.907 -3.675 11.258 1.00 0.00 C ATOM 300 OG SER A 42 112.222 -3.627 11.795 1.00 0.00 O ATOM 0 H SER A 42 112.234 -6.059 10.200 1.00 0.00 H new ATOM 0 HA SER A 42 109.997 -4.278 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.512 -2.666 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.242 -4.202 11.942 1.00 0.00 H new ATOM 0 HG SER A 42 112.873 -3.587 11.063 1.00 0.00 H new ATOM 306 N PHE A 43 111.671 -3.394 7.812 1.00 0.00 N ATOM 307 CA PHE A 43 112.674 -2.791 6.873 1.00 0.00 C ATOM 308 C PHE A 43 112.130 -1.481 6.296 1.00 0.00 C ATOM 309 O PHE A 43 111.057 -1.036 6.655 1.00 0.00 O ATOM 310 CB PHE A 43 112.909 -3.814 5.742 1.00 0.00 C ATOM 311 CG PHE A 43 111.608 -4.440 5.290 1.00 0.00 C ATOM 312 CD1 PHE A 43 111.093 -5.547 5.978 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.921 -3.922 4.189 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.897 -6.132 5.567 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.721 -4.509 3.776 1.00 0.00 C ATOM 316 CZ PHE A 43 109.210 -5.615 4.468 1.00 0.00 C ATOM 0 H PHE A 43 110.723 -3.464 7.441 1.00 0.00 H new ATOM 0 HA PHE A 43 113.607 -2.567 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.391 -3.322 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.589 -4.592 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 43 111.624 -5.948 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.316 -3.069 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 43 109.502 -6.985 6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.189 -4.110 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 43 108.283 -6.068 4.150 1.00 0.00 H new ATOM 326 N LEU A 44 112.865 -0.859 5.406 1.00 0.00 N ATOM 327 CA LEU A 44 112.393 0.425 4.804 1.00 0.00 C ATOM 328 C LEU A 44 112.193 0.269 3.294 1.00 0.00 C ATOM 329 O LEU A 44 112.684 -0.665 2.688 1.00 0.00 O ATOM 330 CB LEU A 44 113.503 1.445 5.099 1.00 0.00 C ATOM 331 CG LEU A 44 113.710 1.597 6.617 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.718 2.722 6.888 1.00 0.00 C ATOM 333 CD2 LEU A 44 112.374 1.933 7.302 1.00 0.00 C ATOM 0 H LEU A 44 113.771 -1.186 5.071 1.00 0.00 H new ATOM 0 HA LEU A 44 111.434 0.739 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.433 1.124 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 44 113.243 2.410 4.664 1.00 0.00 H new ATOM 0 HG LEU A 44 114.091 0.658 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.864 2.829 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.670 2.480 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 44 114.337 3.658 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.532 2.038 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.984 2.868 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.659 1.131 7.117 1.00 0.00 H new ATOM 345 N ALA A 45 111.469 1.178 2.688 1.00 0.00 N ATOM 346 CA ALA A 45 111.228 1.089 1.215 1.00 0.00 C ATOM 347 C ALA A 45 111.554 2.424 0.536 1.00 0.00 C ATOM 348 O ALA A 45 111.424 3.479 1.128 1.00 0.00 O ATOM 349 CB ALA A 45 109.740 0.770 1.081 1.00 0.00 C ATOM 0 H ALA A 45 111.035 1.977 3.150 1.00 0.00 H new ATOM 0 HA ALA A 45 111.855 0.335 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.479 0.688 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.523 -0.173 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.154 1.567 1.538 1.00 0.00 H new ATOM 355 N THR A 46 111.973 2.380 -0.704 1.00 0.00 N ATOM 356 CA THR A 46 112.309 3.638 -1.437 1.00 0.00 C ATOM 357 C THR A 46 111.524 3.707 -2.750 1.00 0.00 C ATOM 358 O THR A 46 111.301 2.703 -3.397 1.00 0.00 O ATOM 359 CB THR A 46 113.812 3.547 -1.723 1.00 0.00 C ATOM 360 OG1 THR A 46 114.070 2.399 -2.518 1.00 0.00 O ATOM 361 CG2 THR A 46 114.592 3.442 -0.409 1.00 0.00 C ATOM 0 H THR A 46 112.097 1.522 -1.242 1.00 0.00 H new ATOM 0 HA THR A 46 112.056 4.528 -0.861 1.00 0.00 H new ATOM 0 HB THR A 46 114.130 4.444 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 115.030 2.339 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.659 3.378 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.397 4.324 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.276 2.550 0.131 1.00 0.00 H new ATOM 369 N CYS A 47 111.107 4.886 -3.149 1.00 0.00 N ATOM 370 CA CYS A 47 110.337 5.013 -4.430 1.00 0.00 C ATOM 371 C CYS A 47 111.251 5.506 -5.563 1.00 0.00 C ATOM 372 O CYS A 47 111.645 6.656 -5.613 1.00 0.00 O ATOM 373 CB CYS A 47 109.193 6.006 -4.151 1.00 0.00 C ATOM 374 SG CYS A 47 109.836 7.608 -3.590 1.00 0.00 S ATOM 0 H CYS A 47 111.265 5.760 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 47 109.938 4.052 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.601 6.146 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.526 5.593 -3.394 1.00 0.00 H new ATOM 0 HG CYS A 47 110.111 7.545 -2.321 1.00 0.00 H new ATOM 380 N VAL A 48 111.598 4.628 -6.471 1.00 0.00 N ATOM 381 CA VAL A 48 112.492 5.021 -7.604 1.00 0.00 C ATOM 382 C VAL A 48 111.895 4.558 -8.940 1.00 0.00 C ATOM 383 O VAL A 48 111.368 3.471 -9.048 1.00 0.00 O ATOM 384 CB VAL A 48 113.824 4.311 -7.329 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.838 4.668 -8.421 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.373 4.757 -5.970 1.00 0.00 C ATOM 0 H VAL A 48 111.300 3.653 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 48 112.617 6.102 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 48 113.658 3.234 -7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.782 4.161 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.455 4.351 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.000 5.746 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.319 4.252 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.532 5.835 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.658 4.502 -5.187 1.00 0.00 H new ATOM 396 N ASN A 49 111.986 5.381 -9.957 1.00 0.00 N ATOM 397 CA ASN A 49 111.443 5.010 -11.308 1.00 0.00 C ATOM 398 C ASN A 49 109.962 4.617 -11.231 1.00 0.00 C ATOM 399 O ASN A 49 109.526 3.691 -11.890 1.00 0.00 O ATOM 400 CB ASN A 49 112.291 3.825 -11.785 1.00 0.00 C ATOM 401 CG ASN A 49 113.641 4.336 -12.293 1.00 0.00 C ATOM 402 OD1 ASN A 49 114.575 4.483 -11.530 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.784 4.615 -13.560 1.00 0.00 N ATOM 0 H ASN A 49 112.417 6.304 -9.911 1.00 0.00 H new ATOM 0 HA ASN A 49 111.498 5.853 -11.996 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.441 3.119 -10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.771 3.288 -12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 49 114.680 4.956 -13.909 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.000 4.492 -14.201 1.00 0.00 H new ATOM 410 N GLY A 50 109.187 5.323 -10.449 1.00 0.00 N ATOM 411 CA GLY A 50 107.728 5.010 -10.340 1.00 0.00 C ATOM 412 C GLY A 50 107.508 3.613 -9.741 1.00 0.00 C ATOM 413 O GLY A 50 106.415 3.079 -9.801 1.00 0.00 O ATOM 0 H GLY A 50 109.502 6.107 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.238 5.758 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.266 5.064 -11.326 1.00 0.00 H new ATOM 417 N VAL A 51 108.520 3.022 -9.154 1.00 0.00 N ATOM 418 CA VAL A 51 108.350 1.669 -8.544 1.00 0.00 C ATOM 419 C VAL A 51 109.084 1.622 -7.201 1.00 0.00 C ATOM 420 O VAL A 51 110.174 2.142 -7.061 1.00 0.00 O ATOM 421 CB VAL A 51 108.950 0.682 -9.557 1.00 0.00 C ATOM 422 CG1 VAL A 51 110.420 1.014 -9.818 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.840 -0.748 -9.014 1.00 0.00 C ATOM 0 H VAL A 51 109.456 3.419 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 51 107.308 1.423 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 51 108.396 0.763 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.831 0.306 -10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.499 2.025 -10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 51 110.979 0.948 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.267 -1.445 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 51 109.384 -0.822 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 51 107.791 -0.994 -8.848 1.00 0.00 H new ATOM 433 N CYS A 52 108.481 1.017 -6.209 1.00 0.00 N ATOM 434 CA CYS A 52 109.130 0.949 -4.866 1.00 0.00 C ATOM 435 C CYS A 52 110.040 -0.278 -4.773 1.00 0.00 C ATOM 436 O CYS A 52 109.616 -1.389 -5.018 1.00 0.00 O ATOM 437 CB CYS A 52 107.971 0.834 -3.874 1.00 0.00 C ATOM 438 SG CYS A 52 108.612 0.880 -2.181 1.00 0.00 S ATOM 0 H CYS A 52 107.568 0.568 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 52 109.756 1.819 -4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.265 1.650 -4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.426 -0.095 -4.042 1.00 0.00 H new ATOM 0 HG CYS A 52 109.724 1.553 -2.156 1.00 0.00 H new ATOM 444 N TRP A 53 111.284 -0.081 -4.413 1.00 0.00 N ATOM 445 CA TRP A 53 112.222 -1.236 -4.295 1.00 0.00 C ATOM 446 C TRP A 53 112.584 -1.473 -2.826 1.00 0.00 C ATOM 447 O TRP A 53 112.850 -0.545 -2.087 1.00 0.00 O ATOM 448 CB TRP A 53 113.464 -0.826 -5.087 1.00 0.00 C ATOM 449 CG TRP A 53 113.224 -1.037 -6.546 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.986 -0.054 -7.444 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.202 -2.288 -7.294 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.819 -0.621 -8.695 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.942 -1.996 -8.654 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.380 -3.635 -6.928 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.862 -3.002 -9.617 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.300 -4.650 -7.895 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.041 -4.334 -9.237 1.00 0.00 C ATOM 0 H TRP A 53 111.689 0.830 -4.196 1.00 0.00 H new ATOM 0 HA TRP A 53 111.784 -2.160 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.700 0.221 -4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.324 -1.411 -4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.935 1.001 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.628 -0.089 -9.544 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.579 -3.890 -5.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.663 -2.753 -10.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.439 -5.681 -7.604 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.980 -5.120 -9.975 1.00 0.00 H new ATOM 468 N THR A 54 112.600 -2.711 -2.406 1.00 0.00 N ATOM 469 CA THR A 54 112.950 -3.026 -0.989 1.00 0.00 C ATOM 470 C THR A 54 113.881 -4.240 -0.937 1.00 0.00 C ATOM 471 O THR A 54 114.226 -4.810 -1.956 1.00 0.00 O ATOM 472 CB THR A 54 111.614 -3.332 -0.299 1.00 0.00 C ATOM 473 OG1 THR A 54 111.856 -3.683 1.056 1.00 0.00 O ATOM 474 CG2 THR A 54 110.905 -4.492 -1.006 1.00 0.00 C ATOM 0 H THR A 54 112.385 -3.522 -2.987 1.00 0.00 H new ATOM 0 HA THR A 54 113.473 -2.204 -0.500 1.00 0.00 H new ATOM 0 HB THR A 54 110.978 -2.448 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 54 111.018 -3.631 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.959 -4.699 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.716 -4.223 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.536 -5.380 -0.970 1.00 0.00 H new ATOM 482 N VAL A 55 114.278 -4.647 0.242 1.00 0.00 N ATOM 483 CA VAL A 55 115.175 -5.834 0.363 1.00 0.00 C ATOM 484 C VAL A 55 114.324 -7.111 0.347 1.00 0.00 C ATOM 485 O VAL A 55 113.246 -7.154 0.908 1.00 0.00 O ATOM 486 CB VAL A 55 115.886 -5.639 1.710 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.690 -6.888 2.088 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.843 -4.451 1.600 1.00 0.00 C ATOM 0 H VAL A 55 114.019 -4.208 1.126 1.00 0.00 H new ATOM 0 HA VAL A 55 115.893 -5.927 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 55 115.134 -5.458 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 55 117.185 -6.726 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 55 116.019 -7.743 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.439 -7.084 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.353 -4.305 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.579 -4.648 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.280 -3.552 1.348 1.00 0.00 H new ATOM 498 N TYR A 56 114.801 -8.145 -0.299 1.00 0.00 N ATOM 499 CA TYR A 56 114.022 -9.417 -0.364 1.00 0.00 C ATOM 500 C TYR A 56 114.290 -10.303 0.865 1.00 0.00 C ATOM 501 O TYR A 56 113.375 -10.890 1.414 1.00 0.00 O ATOM 502 CB TYR A 56 114.500 -10.095 -1.668 1.00 0.00 C ATOM 503 CG TYR A 56 114.034 -11.536 -1.715 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.867 -11.891 -2.407 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.771 -12.510 -1.038 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.444 -13.227 -2.413 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.353 -13.838 -1.047 1.00 0.00 C ATOM 508 CZ TYR A 56 113.187 -14.200 -1.733 1.00 0.00 C ATOM 509 OH TYR A 56 112.771 -15.516 -1.739 1.00 0.00 O ATOM 0 H TYR A 56 115.698 -8.162 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 56 112.946 -9.243 -0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.113 -9.553 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.588 -10.056 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.297 -11.139 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.669 -12.232 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.545 -13.506 -2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.928 -14.589 -0.525 1.00 0.00 H new ATOM 0 HH TYR A 56 113.400 -16.060 -1.221 1.00 0.00 H new ATOM 519 N HIS A 57 115.526 -10.436 1.277 1.00 0.00 N ATOM 520 CA HIS A 57 115.824 -11.326 2.442 1.00 0.00 C ATOM 521 C HIS A 57 115.090 -10.840 3.703 1.00 0.00 C ATOM 522 O HIS A 57 114.855 -11.603 4.623 1.00 0.00 O ATOM 523 CB HIS A 57 117.354 -11.300 2.599 1.00 0.00 C ATOM 524 CG HIS A 57 117.850 -10.019 3.221 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.757 -9.177 2.567 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.621 -9.446 4.450 1.00 0.00 C ATOM 527 CE1 HIS A 57 119.041 -8.158 3.402 1.00 0.00 C ATOM 528 NE2 HIS A 57 118.373 -8.293 4.538 1.00 0.00 N ATOM 0 H HIS A 57 116.334 -9.972 0.862 1.00 0.00 H new ATOM 0 HA HIS A 57 115.474 -12.346 2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.667 -12.144 3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.818 -11.429 1.621 1.00 0.00 H new ATOM 0 HD1 HIS A 57 119.134 -9.310 1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.965 -9.833 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.717 -7.347 3.177 1.00 0.00 H new ATOM 536 N GLY A 58 114.722 -9.584 3.745 1.00 0.00 N ATOM 537 CA GLY A 58 113.997 -9.049 4.935 1.00 0.00 C ATOM 538 C GLY A 58 112.489 -9.135 4.689 1.00 0.00 C ATOM 539 O GLY A 58 111.713 -9.334 5.605 1.00 0.00 O ATOM 0 H GLY A 58 114.894 -8.905 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 58 114.265 -9.619 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 114.289 -8.015 5.118 1.00 0.00 H new ATOM 543 N ALA A 59 112.071 -8.986 3.457 1.00 0.00 N ATOM 544 CA ALA A 59 110.612 -9.057 3.138 1.00 0.00 C ATOM 545 C ALA A 59 110.178 -10.515 2.960 1.00 0.00 C ATOM 546 O ALA A 59 109.371 -11.026 3.713 1.00 0.00 O ATOM 547 CB ALA A 59 110.456 -8.287 1.827 1.00 0.00 C ATOM 0 H ALA A 59 112.679 -8.818 2.656 1.00 0.00 H new ATOM 0 HA ALA A 59 109.995 -8.638 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 59 109.409 -8.293 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.787 -7.258 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 59 111.060 -8.760 1.053 1.00 0.00 H new ATOM 553 N GLY A 60 110.713 -11.186 1.971 1.00 0.00 N ATOM 554 CA GLY A 60 110.340 -12.613 1.739 1.00 0.00 C ATOM 555 C GLY A 60 109.303 -12.703 0.617 1.00 0.00 C ATOM 556 O GLY A 60 108.944 -11.712 0.010 1.00 0.00 O ATOM 0 H GLY A 60 111.393 -10.805 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.225 -13.191 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 60 109.937 -13.046 2.654 1.00 0.00 H new ATOM 560 N SER A 61 108.821 -13.889 0.342 1.00 0.00 N ATOM 561 CA SER A 61 107.803 -14.060 -0.742 1.00 0.00 C ATOM 562 C SER A 61 106.462 -13.448 -0.322 1.00 0.00 C ATOM 563 O SER A 61 105.650 -13.089 -1.155 1.00 0.00 O ATOM 564 CB SER A 61 107.664 -15.572 -0.927 1.00 0.00 C ATOM 565 OG SER A 61 106.558 -15.839 -1.778 1.00 0.00 O ATOM 0 H SER A 61 109.089 -14.748 0.822 1.00 0.00 H new ATOM 0 HA SER A 61 108.103 -13.561 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 61 108.577 -15.983 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 61 107.521 -16.057 0.039 1.00 0.00 H new ATOM 0 HG SER A 61 106.466 -16.807 -1.901 1.00 0.00 H new ATOM 571 N LYS A 62 106.222 -13.331 0.962 1.00 0.00 N ATOM 572 CA LYS A 62 104.927 -12.746 1.437 1.00 0.00 C ATOM 573 C LYS A 62 104.762 -11.316 0.910 1.00 0.00 C ATOM 574 O LYS A 62 105.704 -10.547 0.873 1.00 0.00 O ATOM 575 CB LYS A 62 105.023 -12.746 2.965 1.00 0.00 C ATOM 576 CG LYS A 62 103.627 -12.919 3.572 1.00 0.00 C ATOM 577 CD LYS A 62 103.071 -11.554 3.985 1.00 0.00 C ATOM 578 CE LYS A 62 101.925 -11.751 4.981 1.00 0.00 C ATOM 579 NZ LYS A 62 102.568 -11.686 6.324 1.00 0.00 N ATOM 0 H LYS A 62 106.865 -13.615 1.701 1.00 0.00 H new ATOM 0 HA LYS A 62 104.067 -13.315 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 62 105.677 -13.552 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 62 105.467 -11.812 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 62 102.961 -13.390 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 62 103.676 -13.580 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.858 -10.949 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.716 -11.013 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.166 -10.976 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 62 101.428 -12.709 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 101.846 -11.813 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 103.281 -12.439 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.027 -10.761 6.445 1.00 0.00 H new ATOM 593 N THR A 63 103.569 -10.960 0.505 1.00 0.00 N ATOM 594 CA THR A 63 103.329 -9.580 -0.022 1.00 0.00 C ATOM 595 C THR A 63 103.249 -8.579 1.132 1.00 0.00 C ATOM 596 O THR A 63 102.681 -8.862 2.169 1.00 0.00 O ATOM 597 CB THR A 63 101.987 -9.650 -0.754 1.00 0.00 C ATOM 598 OG1 THR A 63 101.098 -10.504 -0.045 1.00 0.00 O ATOM 599 CG2 THR A 63 102.201 -10.191 -2.168 1.00 0.00 C ATOM 0 H THR A 63 102.749 -11.566 0.516 1.00 0.00 H new ATOM 0 HA THR A 63 104.134 -9.252 -0.680 1.00 0.00 H new ATOM 0 HB THR A 63 101.556 -8.650 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 63 100.239 -10.545 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 63 101.244 -10.240 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 63 102.876 -9.530 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 102.636 -11.189 -2.114 1.00 0.00 H new ATOM 607 N LEU A 64 103.816 -7.411 0.959 1.00 0.00 N ATOM 608 CA LEU A 64 103.774 -6.387 2.044 1.00 0.00 C ATOM 609 C LEU A 64 103.616 -4.977 1.451 1.00 0.00 C ATOM 610 O LEU A 64 104.430 -4.537 0.658 1.00 0.00 O ATOM 611 CB LEU A 64 105.111 -6.544 2.781 1.00 0.00 C ATOM 612 CG LEU A 64 106.274 -6.159 1.856 1.00 0.00 C ATOM 613 CD1 LEU A 64 106.714 -4.729 2.177 1.00 0.00 C ATOM 614 CD2 LEU A 64 107.448 -7.119 2.072 1.00 0.00 C ATOM 0 H LEU A 64 104.306 -7.124 0.112 1.00 0.00 H new ATOM 0 HA LEU A 64 102.927 -6.524 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 105.120 -5.914 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 64 105.230 -7.574 3.118 1.00 0.00 H new ATOM 0 HG LEU A 64 105.951 -6.221 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 107.540 -4.447 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 105.878 -4.047 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 107.037 -4.672 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 64 108.271 -6.842 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 107.778 -7.062 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 107.131 -8.138 1.848 1.00 0.00 H new ATOM 626 N ALA A 65 102.585 -4.263 1.834 1.00 0.00 N ATOM 627 CA ALA A 65 102.395 -2.880 1.300 1.00 0.00 C ATOM 628 C ALA A 65 101.727 -1.991 2.350 1.00 0.00 C ATOM 629 O ALA A 65 100.550 -2.120 2.621 1.00 0.00 O ATOM 630 CB ALA A 65 101.482 -3.043 0.087 1.00 0.00 C ATOM 0 H ALA A 65 101.870 -4.577 2.490 1.00 0.00 H new ATOM 0 HA ALA A 65 103.343 -2.409 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.295 -2.067 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 65 101.962 -3.693 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 65 100.536 -3.485 0.400 1.00 0.00 H new ATOM 636 N GLY A 66 102.470 -1.075 2.921 1.00 0.00 N ATOM 637 CA GLY A 66 101.893 -0.153 3.946 1.00 0.00 C ATOM 638 C GLY A 66 101.302 -0.955 5.120 1.00 0.00 C ATOM 639 O GLY A 66 101.058 -2.140 5.001 1.00 0.00 O ATOM 0 H GLY A 66 103.459 -0.926 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.666 0.523 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 66 101.118 0.465 3.493 1.00 0.00 H new ATOM 643 N PRO A 67 101.079 -0.285 6.230 1.00 0.00 N ATOM 644 CA PRO A 67 100.498 -0.966 7.414 1.00 0.00 C ATOM 645 C PRO A 67 99.008 -1.281 7.190 1.00 0.00 C ATOM 646 O PRO A 67 98.390 -1.961 7.987 1.00 0.00 O ATOM 647 CB PRO A 67 100.663 0.052 8.533 1.00 0.00 C ATOM 648 CG PRO A 67 100.699 1.364 7.835 1.00 0.00 C ATOM 649 CD PRO A 67 101.346 1.136 6.499 1.00 0.00 C ATOM 0 HA PRO A 67 100.981 -1.919 7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.836 0.001 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 67 101.579 -0.123 9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.692 1.763 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 67 101.262 2.094 8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 67 100.917 1.778 5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 67 102.415 1.345 6.529 1.00 0.00 H new ATOM 657 N LYS A 68 98.425 -0.779 6.124 1.00 0.00 N ATOM 658 CA LYS A 68 96.972 -1.037 5.865 1.00 0.00 C ATOM 659 C LYS A 68 96.731 -2.495 5.451 1.00 0.00 C ATOM 660 O LYS A 68 95.691 -3.057 5.741 1.00 0.00 O ATOM 661 CB LYS A 68 96.595 -0.088 4.726 1.00 0.00 C ATOM 662 CG LYS A 68 95.131 0.334 4.878 1.00 0.00 C ATOM 663 CD LYS A 68 94.948 1.762 4.351 1.00 0.00 C ATOM 664 CE LYS A 68 94.963 2.749 5.522 1.00 0.00 C ATOM 665 NZ LYS A 68 96.314 2.606 6.131 1.00 0.00 N ATOM 0 H LYS A 68 98.893 -0.203 5.424 1.00 0.00 H new ATOM 0 HA LYS A 68 96.371 -0.870 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 68 97.241 0.790 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 68 96.745 -0.579 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 68 94.486 -0.352 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 68 94.834 0.282 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 68 95.744 2.005 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 68 94.007 1.842 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.791 3.769 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 68 94.179 2.518 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 96.463 3.363 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 96.386 1.682 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 97.039 2.672 5.388 1.00 0.00 H new ATOM 679 N GLY A 69 97.674 -3.112 4.777 1.00 0.00 N ATOM 680 CA GLY A 69 97.477 -4.533 4.354 1.00 0.00 C ATOM 681 C GLY A 69 98.420 -4.884 3.189 1.00 0.00 C ATOM 682 O GLY A 69 98.933 -4.005 2.528 1.00 0.00 O ATOM 0 H GLY A 69 98.564 -2.695 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 69 97.666 -5.199 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 69 96.442 -4.688 4.051 1.00 0.00 H new ATOM 686 N PRO A 70 98.620 -6.172 2.974 1.00 0.00 N ATOM 687 CA PRO A 70 99.515 -6.631 1.877 1.00 0.00 C ATOM 688 C PRO A 70 98.830 -6.490 0.511 1.00 0.00 C ATOM 689 O PRO A 70 97.622 -6.380 0.418 1.00 0.00 O ATOM 690 CB PRO A 70 99.755 -8.102 2.203 1.00 0.00 C ATOM 691 CG PRO A 70 98.570 -8.527 3.009 1.00 0.00 C ATOM 692 CD PRO A 70 98.049 -7.306 3.722 1.00 0.00 C ATOM 0 HA PRO A 70 100.434 -6.049 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 70 99.846 -8.696 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 70 100.680 -8.234 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.801 -8.953 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.850 -9.300 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.959 -7.277 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 70 98.363 -7.292 4.766 1.00 0.00 H new ATOM 700 N ILE A 71 99.603 -6.500 -0.548 1.00 0.00 N ATOM 701 CA ILE A 71 99.020 -6.375 -1.920 1.00 0.00 C ATOM 702 C ILE A 71 99.554 -7.510 -2.814 1.00 0.00 C ATOM 703 O ILE A 71 99.920 -8.564 -2.329 1.00 0.00 O ATOM 704 CB ILE A 71 99.488 -5.002 -2.433 1.00 0.00 C ATOM 705 CG1 ILE A 71 101.019 -4.960 -2.480 1.00 0.00 C ATOM 706 CG2 ILE A 71 98.978 -3.897 -1.502 1.00 0.00 C ATOM 707 CD1 ILE A 71 101.473 -3.688 -3.199 1.00 0.00 C ATOM 0 H ILE A 71 100.619 -6.590 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 71 97.933 -6.450 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 71 99.089 -4.844 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 101.425 -4.984 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 71 101.402 -5.839 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 71 99.313 -2.927 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 71 97.889 -3.918 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.369 -4.058 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 71 102.562 -3.658 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 71 101.078 -3.684 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 71 101.102 -2.815 -2.662 1.00 0.00 H new ATOM 719 N THR A 72 99.608 -7.300 -4.107 1.00 0.00 N ATOM 720 CA THR A 72 100.128 -8.361 -5.025 1.00 0.00 C ATOM 721 C THR A 72 101.621 -8.132 -5.289 1.00 0.00 C ATOM 722 O THR A 72 102.055 -7.015 -5.494 1.00 0.00 O ATOM 723 CB THR A 72 99.323 -8.201 -6.314 1.00 0.00 C ATOM 724 OG1 THR A 72 97.936 -8.286 -6.018 1.00 0.00 O ATOM 725 CG2 THR A 72 99.705 -9.308 -7.298 1.00 0.00 C ATOM 0 H THR A 72 99.314 -6.438 -4.567 1.00 0.00 H new ATOM 0 HA THR A 72 100.025 -9.362 -4.607 1.00 0.00 H new ATOM 0 HB THR A 72 99.541 -7.231 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 72 97.418 -8.182 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.130 -9.192 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 72 100.769 -9.242 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 72 99.489 -10.280 -6.854 1.00 0.00 H new ATOM 733 N GLN A 73 102.408 -9.181 -5.276 1.00 0.00 N ATOM 734 CA GLN A 73 103.877 -9.027 -5.516 1.00 0.00 C ATOM 735 C GLN A 73 104.188 -9.049 -7.016 1.00 0.00 C ATOM 736 O GLN A 73 103.568 -9.767 -7.777 1.00 0.00 O ATOM 737 CB GLN A 73 104.519 -10.227 -4.819 1.00 0.00 C ATOM 738 CG GLN A 73 106.031 -10.014 -4.723 1.00 0.00 C ATOM 739 CD GLN A 73 106.647 -11.116 -3.859 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.409 -12.285 -4.083 1.00 0.00 O ATOM 741 NE2 GLN A 73 107.437 -10.789 -2.872 1.00 0.00 N ATOM 0 H GLN A 73 102.096 -10.138 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 73 104.254 -8.078 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.095 -10.352 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 73 104.304 -11.141 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.475 -10.027 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.245 -9.036 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 73 107.638 -9.807 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 73 107.854 -11.516 -2.290 1.00 0.00 H new ATOM 750 N MET A 74 105.146 -8.261 -7.443 1.00 0.00 N ATOM 751 CA MET A 74 105.506 -8.226 -8.893 1.00 0.00 C ATOM 752 C MET A 74 106.965 -8.652 -9.101 1.00 0.00 C ATOM 753 O MET A 74 107.262 -9.468 -9.954 1.00 0.00 O ATOM 754 CB MET A 74 105.307 -6.769 -9.315 1.00 0.00 C ATOM 755 CG MET A 74 105.584 -6.626 -10.813 1.00 0.00 C ATOM 756 SD MET A 74 104.314 -7.514 -11.750 1.00 0.00 S ATOM 757 CE MET A 74 103.605 -6.077 -12.589 1.00 0.00 C ATOM 0 H MET A 74 105.694 -7.640 -6.847 1.00 0.00 H new ATOM 0 HA MET A 74 104.896 -8.911 -9.481 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.289 -6.451 -9.091 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.975 -6.121 -8.748 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.588 -5.573 -11.094 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.571 -7.023 -11.051 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.787 -6.399 -13.233 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.227 -5.373 -11.848 1.00 0.00 H new ATOM 0 HE3 MET A 74 104.373 -5.592 -13.192 1.00 0.00 H new ATOM 767 N TYR A 75 107.877 -8.101 -8.337 1.00 0.00 N ATOM 768 CA TYR A 75 109.319 -8.471 -8.500 1.00 0.00 C ATOM 769 C TYR A 75 109.796 -9.296 -7.299 1.00 0.00 C ATOM 770 O TYR A 75 109.616 -8.908 -6.161 1.00 0.00 O ATOM 771 CB TYR A 75 110.079 -7.140 -8.563 1.00 0.00 C ATOM 772 CG TYR A 75 109.566 -6.297 -9.711 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.489 -6.836 -11.001 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.175 -4.971 -9.481 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.018 -6.050 -12.060 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.704 -4.185 -10.541 1.00 0.00 C ATOM 777 CZ TYR A 75 108.625 -4.725 -11.830 1.00 0.00 C ATOM 778 OH TYR A 75 108.162 -3.951 -12.875 1.00 0.00 O ATOM 0 H TYR A 75 107.686 -7.412 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 75 109.483 -9.075 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.959 -6.600 -7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.145 -7.328 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.793 -7.857 -11.179 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.237 -4.555 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.958 -6.466 -13.055 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.402 -3.163 -10.364 1.00 0.00 H new ATOM 0 HH TYR A 75 107.931 -3.058 -12.543 1.00 0.00 H new ATOM 788 N THR A 76 110.398 -10.432 -7.548 1.00 0.00 N ATOM 789 CA THR A 76 110.888 -11.293 -6.427 1.00 0.00 C ATOM 790 C THR A 76 112.086 -12.130 -6.889 1.00 0.00 C ATOM 791 O THR A 76 111.994 -12.865 -7.854 1.00 0.00 O ATOM 792 CB THR A 76 109.701 -12.195 -6.086 1.00 0.00 C ATOM 793 OG1 THR A 76 108.567 -11.391 -5.796 1.00 0.00 O ATOM 794 CG2 THR A 76 110.042 -13.058 -4.871 1.00 0.00 C ATOM 0 H THR A 76 110.572 -10.802 -8.483 1.00 0.00 H new ATOM 0 HA THR A 76 111.222 -10.711 -5.568 1.00 0.00 H new ATOM 0 HB THR A 76 109.481 -12.842 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 76 107.770 -11.792 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.194 -13.699 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 76 110.912 -13.675 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.264 -12.415 -4.019 1.00 0.00 H new ATOM 802 N ASN A 77 113.209 -12.023 -6.214 1.00 0.00 N ATOM 803 CA ASN A 77 114.407 -12.818 -6.633 1.00 0.00 C ATOM 804 C ASN A 77 115.485 -12.820 -5.541 1.00 0.00 C ATOM 805 O ASN A 77 115.941 -11.779 -5.110 1.00 0.00 O ATOM 806 CB ASN A 77 114.920 -12.098 -7.878 1.00 0.00 C ATOM 807 CG ASN A 77 116.073 -12.893 -8.499 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.714 -13.681 -7.834 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.364 -12.717 -9.760 1.00 0.00 N ATOM 0 H ASN A 77 113.346 -11.425 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 77 114.158 -13.863 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.113 -11.984 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.257 -11.095 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.129 -13.241 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 77 115.826 -12.055 -10.320 1.00 0.00 H new ATOM 816 N VAL A 78 115.903 -13.986 -5.104 1.00 0.00 N ATOM 817 CA VAL A 78 116.966 -14.057 -4.052 1.00 0.00 C ATOM 818 C VAL A 78 118.323 -13.670 -4.657 1.00 0.00 C ATOM 819 O VAL A 78 119.182 -13.136 -3.980 1.00 0.00 O ATOM 820 CB VAL A 78 116.975 -15.519 -3.564 1.00 0.00 C ATOM 821 CG1 VAL A 78 118.108 -15.739 -2.547 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.642 -15.839 -2.886 1.00 0.00 C ATOM 0 H VAL A 78 115.555 -14.888 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 78 116.776 -13.371 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 78 117.129 -16.170 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 118.100 -16.776 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 119.066 -15.516 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.961 -15.081 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.648 -16.873 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.498 -15.173 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.829 -15.699 -3.598 1.00 0.00 H new ATOM 832 N ASP A 79 118.523 -13.947 -5.923 1.00 0.00 N ATOM 833 CA ASP A 79 119.830 -13.607 -6.575 1.00 0.00 C ATOM 834 C ASP A 79 120.113 -12.107 -6.455 1.00 0.00 C ATOM 835 O ASP A 79 121.232 -11.696 -6.216 1.00 0.00 O ATOM 836 CB ASP A 79 119.662 -14.006 -8.041 1.00 0.00 C ATOM 837 CG ASP A 79 120.972 -13.764 -8.794 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.619 -14.737 -9.145 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.306 -12.610 -9.007 1.00 0.00 O ATOM 0 H ASP A 79 117.839 -14.394 -6.534 1.00 0.00 H new ATOM 0 HA ASP A 79 120.667 -14.124 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.379 -15.056 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 79 118.858 -13.428 -8.496 1.00 0.00 H new ATOM 844 N GLN A 80 119.104 -11.291 -6.617 1.00 0.00 N ATOM 845 CA GLN A 80 119.303 -9.816 -6.510 1.00 0.00 C ATOM 846 C GLN A 80 118.916 -9.308 -5.113 1.00 0.00 C ATOM 847 O GLN A 80 119.136 -8.157 -4.787 1.00 0.00 O ATOM 848 CB GLN A 80 118.379 -9.218 -7.570 1.00 0.00 C ATOM 849 CG GLN A 80 118.639 -7.715 -7.684 1.00 0.00 C ATOM 850 CD GLN A 80 117.786 -7.137 -8.814 1.00 0.00 C ATOM 851 OE1 GLN A 80 118.076 -7.342 -9.976 1.00 0.00 O ATOM 852 NE2 GLN A 80 116.741 -6.415 -8.519 1.00 0.00 N ATOM 0 H GLN A 80 118.148 -11.584 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 80 120.345 -9.536 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.550 -9.701 -8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.338 -9.399 -7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.399 -7.221 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.695 -7.531 -7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 80 116.499 -6.244 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 80 116.166 -6.022 -9.264 1.00 0.00 H new ATOM 861 N ASP A 81 118.336 -10.150 -4.280 1.00 0.00 N ATOM 862 CA ASP A 81 117.930 -9.712 -2.901 1.00 0.00 C ATOM 863 C ASP A 81 117.053 -8.457 -2.971 1.00 0.00 C ATOM 864 O ASP A 81 117.194 -7.553 -2.168 1.00 0.00 O ATOM 865 CB ASP A 81 119.237 -9.378 -2.173 1.00 0.00 C ATOM 866 CG ASP A 81 118.954 -9.197 -0.677 1.00 0.00 C ATOM 867 OD1 ASP A 81 118.015 -9.789 -0.166 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.767 -8.353 0.054 1.00 0.00 O ATOM 0 H ASP A 81 118.127 -11.124 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 81 117.357 -10.488 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.964 -10.176 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.673 -8.468 -2.585 1.00 0.00 H new ATOM 874 N LEU A 82 116.165 -8.384 -3.931 1.00 0.00 N ATOM 875 CA LEU A 82 115.304 -7.169 -4.048 1.00 0.00 C ATOM 876 C LEU A 82 113.865 -7.540 -4.420 1.00 0.00 C ATOM 877 O LEU A 82 113.599 -8.575 -5.006 1.00 0.00 O ATOM 878 CB LEU A 82 115.952 -6.328 -5.158 1.00 0.00 C ATOM 879 CG LEU A 82 116.263 -4.925 -4.632 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.540 -4.968 -3.790 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.464 -3.973 -5.813 1.00 0.00 C ATOM 0 H LEU A 82 116.000 -9.106 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 82 115.241 -6.628 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.868 -6.808 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.283 -6.264 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 82 115.434 -4.574 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 82 117.762 -3.969 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 117.399 -5.648 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.369 -5.318 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.686 -2.973 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 82 117.294 -4.324 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.556 -3.943 -6.415 1.00 0.00 H new ATOM 893 N VAL A 83 112.941 -6.682 -4.078 1.00 0.00 N ATOM 894 CA VAL A 83 111.499 -6.928 -4.394 1.00 0.00 C ATOM 895 C VAL A 83 110.849 -5.575 -4.693 1.00 0.00 C ATOM 896 O VAL A 83 111.349 -4.549 -4.268 1.00 0.00 O ATOM 897 CB VAL A 83 110.874 -7.563 -3.133 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.555 -8.240 -3.502 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.808 -8.623 -2.544 1.00 0.00 C ATOM 0 H VAL A 83 113.125 -5.808 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 83 111.361 -7.585 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 83 110.709 -6.774 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 83 109.114 -8.688 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.869 -7.500 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.740 -9.016 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.350 -9.059 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.983 -9.405 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.757 -8.161 -2.273 1.00 0.00 H new ATOM 909 N GLY A 84 109.763 -5.547 -5.422 1.00 0.00 N ATOM 910 CA GLY A 84 109.127 -4.233 -5.735 1.00 0.00 C ATOM 911 C GLY A 84 107.641 -4.401 -6.036 1.00 0.00 C ATOM 912 O GLY A 84 107.130 -5.499 -6.139 1.00 0.00 O ATOM 0 H GLY A 84 109.294 -6.366 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.256 -3.553 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.626 -3.779 -6.591 1.00 0.00 H new ATOM 916 N TRP A 85 106.948 -3.300 -6.177 1.00 0.00 N ATOM 917 CA TRP A 85 105.489 -3.348 -6.473 1.00 0.00 C ATOM 918 C TRP A 85 105.104 -2.156 -7.353 1.00 0.00 C ATOM 919 O TRP A 85 105.812 -1.167 -7.410 1.00 0.00 O ATOM 920 CB TRP A 85 104.803 -3.252 -5.109 1.00 0.00 C ATOM 921 CG TRP A 85 105.181 -4.433 -4.274 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.720 -5.690 -4.455 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.091 -4.492 -3.138 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.285 -6.517 -3.501 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.137 -5.825 -2.667 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.873 -3.527 -2.475 1.00 0.00 C ATOM 927 CZ2 TRP A 85 106.930 -6.189 -1.578 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.671 -3.891 -1.379 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.700 -5.220 -0.932 1.00 0.00 C ATOM 0 H TRP A 85 107.338 -2.361 -6.098 1.00 0.00 H new ATOM 0 HA TRP A 85 105.199 -4.253 -7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.096 -2.330 -4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.721 -3.215 -5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.023 -5.999 -5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.095 -7.516 -3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.859 -2.501 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 106.948 -7.214 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.266 -3.143 -0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.317 -5.494 -0.089 1.00 0.00 H new ATOM 940 N GLN A 86 103.993 -2.242 -8.038 1.00 0.00 N ATOM 941 CA GLN A 86 103.562 -1.111 -8.917 1.00 0.00 C ATOM 942 C GLN A 86 103.111 0.081 -8.067 1.00 0.00 C ATOM 943 O GLN A 86 102.137 0.004 -7.344 1.00 0.00 O ATOM 944 CB GLN A 86 102.395 -1.661 -9.739 1.00 0.00 C ATOM 945 CG GLN A 86 102.577 -1.289 -11.213 1.00 0.00 C ATOM 946 CD GLN A 86 102.007 0.109 -11.460 1.00 0.00 C ATOM 947 OE1 GLN A 86 100.841 0.353 -11.217 1.00 0.00 O ATOM 948 NE2 GLN A 86 102.783 1.043 -11.935 1.00 0.00 N ATOM 0 H GLN A 86 103.365 -3.046 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 86 104.372 -0.756 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.342 -2.744 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.454 -1.257 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.634 -1.314 -11.478 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.072 -2.017 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 86 103.761 0.838 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 86 102.412 1.978 -12.103 1.00 0.00 H new ATOM 957 N ALA A 87 103.816 1.182 -8.155 1.00 0.00 N ATOM 958 CA ALA A 87 103.436 2.387 -7.359 1.00 0.00 C ATOM 959 C ALA A 87 102.396 3.220 -8.127 1.00 0.00 C ATOM 960 O ALA A 87 102.298 3.111 -9.333 1.00 0.00 O ATOM 961 CB ALA A 87 104.734 3.175 -7.186 1.00 0.00 C ATOM 0 H ALA A 87 104.640 1.297 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 87 102.990 2.126 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.537 4.078 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.465 2.561 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 87 105.127 3.448 -8.165 1.00 0.00 H new ATOM 967 N PRO A 88 101.647 4.030 -7.409 1.00 0.00 N ATOM 968 CA PRO A 88 100.615 4.873 -8.064 1.00 0.00 C ATOM 969 C PRO A 88 101.278 5.999 -8.874 1.00 0.00 C ATOM 970 O PRO A 88 102.395 6.381 -8.588 1.00 0.00 O ATOM 971 CB PRO A 88 99.816 5.440 -6.893 1.00 0.00 C ATOM 972 CG PRO A 88 100.755 5.407 -5.731 1.00 0.00 C ATOM 973 CD PRO A 88 101.683 4.242 -5.951 1.00 0.00 C ATOM 0 HA PRO A 88 99.993 4.320 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.480 6.456 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.925 4.843 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.316 6.339 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.208 5.293 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.692 4.464 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 88 101.348 3.357 -5.410 1.00 0.00 H new ATOM 981 N PRO A 89 100.571 6.500 -9.865 1.00 0.00 N ATOM 982 CA PRO A 89 101.126 7.589 -10.705 1.00 0.00 C ATOM 983 C PRO A 89 101.091 8.918 -9.945 1.00 0.00 C ATOM 984 O PRO A 89 100.292 9.108 -9.048 1.00 0.00 O ATOM 985 CB PRO A 89 100.193 7.627 -11.911 1.00 0.00 C ATOM 986 CG PRO A 89 98.898 7.054 -11.426 1.00 0.00 C ATOM 987 CD PRO A 89 99.216 6.113 -10.297 1.00 0.00 C ATOM 0 HA PRO A 89 102.167 7.426 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 89 100.061 8.646 -12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.596 7.043 -12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.230 7.847 -11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.386 6.528 -12.231 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.497 6.211 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.186 5.074 -10.626 1.00 0.00 H new ATOM 995 N GLY A 90 101.954 9.836 -10.300 1.00 0.00 N ATOM 996 CA GLY A 90 101.979 11.155 -9.602 1.00 0.00 C ATOM 997 C GLY A 90 103.064 11.151 -8.521 1.00 0.00 C ATOM 998 O GLY A 90 103.589 12.187 -8.157 1.00 0.00 O ATOM 0 H GLY A 90 102.643 9.728 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 90 102.171 11.953 -10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 90 101.007 11.357 -9.153 1.00 0.00 H new ATOM 1002 N ALA A 91 103.406 9.995 -8.007 1.00 0.00 N ATOM 1003 CA ALA A 91 104.459 9.922 -6.946 1.00 0.00 C ATOM 1004 C ALA A 91 105.791 10.445 -7.491 1.00 0.00 C ATOM 1005 O ALA A 91 106.042 10.408 -8.681 1.00 0.00 O ATOM 1006 CB ALA A 91 104.573 8.439 -6.587 1.00 0.00 C ATOM 0 H ALA A 91 103.001 9.098 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 91 104.207 10.529 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 105.329 8.309 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.612 8.079 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.859 7.871 -7.472 1.00 0.00 H new ATOM 1012 N ARG A 92 106.644 10.930 -6.625 1.00 0.00 N ATOM 1013 CA ARG A 92 107.965 11.460 -7.082 1.00 0.00 C ATOM 1014 C ARG A 92 108.883 10.302 -7.488 1.00 0.00 C ATOM 1015 O ARG A 92 108.982 9.306 -6.798 1.00 0.00 O ATOM 1016 CB ARG A 92 108.542 12.209 -5.871 1.00 0.00 C ATOM 1017 CG ARG A 92 108.961 13.626 -6.283 1.00 0.00 C ATOM 1018 CD ARG A 92 110.479 13.678 -6.483 1.00 0.00 C ATOM 1019 NE ARG A 92 110.786 15.120 -6.725 1.00 0.00 N ATOM 1020 CZ ARG A 92 111.953 15.638 -6.397 1.00 0.00 C ATOM 1021 NH1 ARG A 92 112.960 14.880 -6.030 1.00 0.00 N ATOM 1022 NH2 ARG A 92 112.111 16.933 -6.440 1.00 0.00 N ATOM 0 H ARG A 92 106.483 10.982 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 92 107.870 12.112 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.799 12.257 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 92 109.401 11.668 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 92 108.453 13.912 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 92 108.661 14.341 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 92 111.006 13.304 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 92 110.788 13.061 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 92 110.078 15.716 -7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 92 112.849 13.867 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 92 113.853 15.304 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 92 111.336 17.532 -6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 92 113.009 17.346 -6.189 1.00 0.00 H new ATOM 1036 N SER A 93 109.555 10.431 -8.605 1.00 0.00 N ATOM 1037 CA SER A 93 110.472 9.345 -9.065 1.00 0.00 C ATOM 1038 C SER A 93 111.929 9.756 -8.839 1.00 0.00 C ATOM 1039 O SER A 93 112.341 10.838 -9.214 1.00 0.00 O ATOM 1040 CB SER A 93 110.182 9.187 -10.557 1.00 0.00 C ATOM 1041 OG SER A 93 108.885 8.632 -10.726 1.00 0.00 O ATOM 0 H SER A 93 109.507 11.244 -9.219 1.00 0.00 H new ATOM 0 HA SER A 93 110.317 8.413 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.244 10.154 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.929 8.542 -11.018 1.00 0.00 H new ATOM 0 HG SER A 93 108.695 8.531 -11.682 1.00 0.00 H new ATOM 1047 N LEU A 94 112.707 8.903 -8.224 1.00 0.00 N ATOM 1048 CA LEU A 94 114.139 9.240 -7.964 1.00 0.00 C ATOM 1049 C LEU A 94 114.995 8.924 -9.195 1.00 0.00 C ATOM 1050 O LEU A 94 114.702 8.016 -9.949 1.00 0.00 O ATOM 1051 CB LEU A 94 114.544 8.354 -6.784 1.00 0.00 C ATOM 1052 CG LEU A 94 115.488 9.127 -5.858 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.751 10.321 -5.247 1.00 0.00 C ATOM 1054 CD2 LEU A 94 115.971 8.203 -4.737 1.00 0.00 C ATOM 0 H LEU A 94 112.412 7.986 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 94 114.281 10.299 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 94 113.658 8.037 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.034 7.450 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 94 116.342 9.485 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 94 115.427 10.868 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.406 10.981 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 94 113.895 9.965 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 94 116.643 8.752 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.114 7.845 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 94 116.500 7.353 -5.168 1.00 0.00 H new ATOM 1066 N THR A 95 116.049 9.673 -9.400 1.00 0.00 N ATOM 1067 CA THR A 95 116.934 9.430 -10.580 1.00 0.00 C ATOM 1068 C THR A 95 118.317 8.940 -10.115 1.00 0.00 C ATOM 1069 O THR A 95 118.752 9.274 -9.032 1.00 0.00 O ATOM 1070 CB THR A 95 117.045 10.788 -11.288 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.913 10.667 -12.405 1.00 0.00 O ATOM 1072 CG2 THR A 95 117.599 11.844 -10.327 1.00 0.00 C ATOM 0 H THR A 95 116.336 10.445 -8.799 1.00 0.00 H new ATOM 0 HA THR A 95 116.535 8.663 -11.244 1.00 0.00 H new ATOM 0 HB THR A 95 116.054 11.096 -11.620 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.984 11.532 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 95 117.672 12.802 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 95 116.932 11.943 -9.471 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.588 11.540 -9.983 1.00 0.00 H new ATOM 1080 N PRO A 96 118.971 8.153 -10.947 1.00 0.00 N ATOM 1081 CA PRO A 96 120.312 7.625 -10.584 1.00 0.00 C ATOM 1082 C PRO A 96 121.359 8.744 -10.606 1.00 0.00 C ATOM 1083 O PRO A 96 121.203 9.740 -11.289 1.00 0.00 O ATOM 1084 CB PRO A 96 120.598 6.588 -11.668 1.00 0.00 C ATOM 1085 CG PRO A 96 119.767 7.011 -12.835 1.00 0.00 C ATOM 1086 CD PRO A 96 118.543 7.685 -12.278 1.00 0.00 C ATOM 0 HA PRO A 96 120.345 7.203 -9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.657 6.567 -11.924 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.330 5.585 -11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.324 7.692 -13.479 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.491 6.151 -13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.221 8.514 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.703 6.994 -12.208 1.00 0.00 H new ATOM 1094 N CYS A 97 122.422 8.585 -9.859 1.00 0.00 N ATOM 1095 CA CYS A 97 123.487 9.631 -9.822 1.00 0.00 C ATOM 1096 C CYS A 97 124.503 9.404 -10.944 1.00 0.00 C ATOM 1097 O CYS A 97 124.815 8.281 -11.292 1.00 0.00 O ATOM 1098 CB CYS A 97 124.159 9.464 -8.460 1.00 0.00 C ATOM 1099 SG CYS A 97 125.057 10.977 -8.047 1.00 0.00 S ATOM 0 H CYS A 97 122.598 7.771 -9.270 1.00 0.00 H new ATOM 0 HA CYS A 97 123.079 10.632 -9.962 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.411 9.252 -7.696 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.843 8.616 -8.481 1.00 0.00 H new ATOM 0 HG CYS A 97 124.356 12.010 -8.408 1.00 0.00 H new ATOM 1104 N THR A 98 125.021 10.466 -11.508 1.00 0.00 N ATOM 1105 CA THR A 98 126.022 10.323 -12.608 1.00 0.00 C ATOM 1106 C THR A 98 127.183 11.308 -12.408 1.00 0.00 C ATOM 1107 O THR A 98 127.349 12.243 -13.169 1.00 0.00 O ATOM 1108 CB THR A 98 125.249 10.651 -13.888 1.00 0.00 C ATOM 1109 OG1 THR A 98 124.456 11.810 -13.675 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.346 9.473 -14.258 1.00 0.00 C ATOM 0 H THR A 98 124.793 11.427 -11.253 1.00 0.00 H new ATOM 0 HA THR A 98 126.461 9.326 -12.640 1.00 0.00 H new ATOM 0 HB THR A 98 125.952 10.835 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 98 125.034 12.560 -13.423 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.796 9.708 -15.169 1.00 0.00 H new ATOM 0 HG22 THR A 98 124.956 8.584 -14.421 1.00 0.00 H new ATOM 0 HG23 THR A 98 123.642 9.286 -13.448 1.00 0.00 H new ATOM 1118 N CYS A 99 127.983 11.107 -11.388 1.00 0.00 N ATOM 1119 CA CYS A 99 129.132 12.041 -11.144 1.00 0.00 C ATOM 1120 C CYS A 99 130.362 11.306 -10.576 1.00 0.00 C ATOM 1121 O CYS A 99 131.337 11.933 -10.205 1.00 0.00 O ATOM 1122 CB CYS A 99 128.602 13.069 -10.134 1.00 0.00 C ATOM 1123 SG CYS A 99 128.107 12.244 -8.595 1.00 0.00 S ATOM 0 H CYS A 99 127.893 10.343 -10.718 1.00 0.00 H new ATOM 0 HA CYS A 99 129.468 12.503 -12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.371 13.813 -9.925 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.751 13.601 -10.559 1.00 0.00 H new ATOM 0 HG CYS A 99 126.867 11.864 -8.686 1.00 0.00 H new ATOM 1128 N GLY A 100 130.338 9.992 -10.507 1.00 0.00 N ATOM 1129 CA GLY A 100 131.514 9.235 -9.967 1.00 0.00 C ATOM 1130 C GLY A 100 131.924 9.791 -8.595 1.00 0.00 C ATOM 1131 O GLY A 100 133.086 10.050 -8.345 1.00 0.00 O ATOM 0 H GLY A 100 129.553 9.412 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 100 131.264 8.178 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 100 132.351 9.308 -10.661 1.00 0.00 H new ATOM 1135 N SER A 101 130.976 9.979 -7.712 1.00 0.00 N ATOM 1136 CA SER A 101 131.303 10.524 -6.360 1.00 0.00 C ATOM 1137 C SER A 101 131.369 9.396 -5.329 1.00 0.00 C ATOM 1138 O SER A 101 130.404 8.688 -5.108 1.00 0.00 O ATOM 1139 CB SER A 101 130.157 11.481 -6.032 1.00 0.00 C ATOM 1140 OG SER A 101 130.251 11.872 -4.667 1.00 0.00 O ATOM 0 H SER A 101 129.988 9.778 -7.870 1.00 0.00 H new ATOM 0 HA SER A 101 132.272 11.023 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 101 130.203 12.358 -6.678 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.198 10.997 -6.219 1.00 0.00 H new ATOM 0 HG SER A 101 129.813 11.200 -4.103 1.00 0.00 H new ATOM 1146 N SER A 102 132.502 9.231 -4.693 1.00 0.00 N ATOM 1147 CA SER A 102 132.640 8.153 -3.666 1.00 0.00 C ATOM 1148 C SER A 102 131.808 8.501 -2.430 1.00 0.00 C ATOM 1149 O SER A 102 131.175 7.647 -1.837 1.00 0.00 O ATOM 1150 CB SER A 102 134.128 8.114 -3.316 1.00 0.00 C ATOM 1151 OG SER A 102 134.471 9.290 -2.593 1.00 0.00 O ATOM 0 H SER A 102 133.338 9.797 -4.841 1.00 0.00 H new ATOM 0 HA SER A 102 132.288 7.188 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.350 7.229 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.726 8.045 -4.225 1.00 0.00 H new ATOM 0 HG SER A 102 135.424 9.268 -2.365 1.00 0.00 H new ATOM 1157 N ASP A 103 131.802 9.752 -2.042 1.00 0.00 N ATOM 1158 CA ASP A 103 131.007 10.167 -0.844 1.00 0.00 C ATOM 1159 C ASP A 103 129.521 9.890 -1.084 1.00 0.00 C ATOM 1160 O ASP A 103 128.992 10.181 -2.141 1.00 0.00 O ATOM 1161 CB ASP A 103 131.254 11.671 -0.695 1.00 0.00 C ATOM 1162 CG ASP A 103 132.698 11.915 -0.248 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.244 12.940 -0.618 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.231 11.074 0.458 1.00 0.00 O ATOM 0 H ASP A 103 132.313 10.505 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 103 131.297 9.621 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.066 12.176 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.561 12.093 0.033 1.00 0.00 H new ATOM 1169 N LEU A 104 128.849 9.324 -0.115 1.00 0.00 N ATOM 1170 CA LEU A 104 127.396 9.019 -0.285 1.00 0.00 C ATOM 1171 C LEU A 104 126.637 9.256 1.022 1.00 0.00 C ATOM 1172 O LEU A 104 127.214 9.275 2.092 1.00 0.00 O ATOM 1173 CB LEU A 104 127.346 7.537 -0.664 1.00 0.00 C ATOM 1174 CG LEU A 104 127.755 7.365 -2.127 1.00 0.00 C ATOM 1175 CD1 LEU A 104 127.943 5.879 -2.432 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.660 7.936 -3.031 1.00 0.00 C ATOM 0 H LEU A 104 129.244 9.059 0.788 1.00 0.00 H new ATOM 0 HA LEU A 104 126.932 9.656 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.013 6.964 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.340 7.146 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 104 128.690 7.894 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.235 5.756 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.721 5.471 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.008 5.349 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 104 126.950 7.814 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 104 125.725 7.406 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.524 8.995 -2.813 1.00 0.00 H new ATOM 1188 N TYR A 105 125.343 9.420 0.937 1.00 0.00 N ATOM 1189 CA TYR A 105 124.524 9.639 2.166 1.00 0.00 C ATOM 1190 C TYR A 105 123.486 8.522 2.289 1.00 0.00 C ATOM 1191 O TYR A 105 122.836 8.163 1.324 1.00 0.00 O ATOM 1192 CB TYR A 105 123.845 10.996 1.963 1.00 0.00 C ATOM 1193 CG TYR A 105 124.867 12.098 2.118 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.111 12.655 3.381 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.569 12.566 1.002 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.056 13.678 3.525 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.514 13.588 1.146 1.00 0.00 C ATOM 1198 CZ TYR A 105 126.758 14.144 2.407 1.00 0.00 C ATOM 1199 OH TYR A 105 127.689 15.152 2.549 1.00 0.00 O ATOM 0 H TYR A 105 124.815 9.412 0.064 1.00 0.00 H new ATOM 0 HA TYR A 105 125.121 9.629 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.391 11.043 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.042 11.125 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.570 12.295 4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.381 12.138 0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.243 14.107 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.055 13.948 0.284 1.00 0.00 H new ATOM 0 HH TYR A 105 128.086 15.356 1.676 1.00 0.00 H new ATOM 1209 N LEU A 106 123.340 7.958 3.458 1.00 0.00 N ATOM 1210 CA LEU A 106 122.357 6.848 3.640 1.00 0.00 C ATOM 1211 C LEU A 106 121.414 7.146 4.809 1.00 0.00 C ATOM 1212 O LEU A 106 121.824 7.166 5.955 1.00 0.00 O ATOM 1213 CB LEU A 106 123.219 5.622 3.947 1.00 0.00 C ATOM 1214 CG LEU A 106 122.462 4.346 3.575 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.465 3.236 3.255 1.00 0.00 C ATOM 1216 CD2 LEU A 106 121.585 3.912 4.753 1.00 0.00 C ATOM 0 H LEU A 106 123.859 8.218 4.297 1.00 0.00 H new ATOM 0 HA LEU A 106 121.726 6.706 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.154 5.676 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.479 5.605 5.005 1.00 0.00 H new ATOM 0 HG LEU A 106 121.835 4.536 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.928 2.326 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 106 124.093 3.543 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.090 3.047 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.045 3.003 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 106 122.213 3.721 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.872 4.703 4.986 1.00 0.00 H new ATOM 1228 N VAL A 107 120.152 7.367 4.529 1.00 0.00 N ATOM 1229 CA VAL A 107 119.177 7.649 5.627 1.00 0.00 C ATOM 1230 C VAL A 107 118.974 6.376 6.452 1.00 0.00 C ATOM 1231 O VAL A 107 119.048 5.278 5.932 1.00 0.00 O ATOM 1232 CB VAL A 107 117.874 8.058 4.934 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.823 8.416 5.986 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.125 9.276 4.038 1.00 0.00 C ATOM 0 H VAL A 107 119.756 7.364 3.589 1.00 0.00 H new ATOM 0 HA VAL A 107 119.522 8.433 6.301 1.00 0.00 H new ATOM 0 HB VAL A 107 117.516 7.226 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 107 115.897 8.707 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.638 7.552 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.185 9.245 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.196 9.564 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.487 10.106 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 107 118.871 9.026 3.284 1.00 0.00 H new ATOM 1244 N THR A 108 118.733 6.512 7.729 1.00 0.00 N ATOM 1245 CA THR A 108 118.540 5.304 8.590 1.00 0.00 C ATOM 1246 C THR A 108 117.071 5.165 9.003 1.00 0.00 C ATOM 1247 O THR A 108 116.202 5.830 8.471 1.00 0.00 O ATOM 1248 CB THR A 108 119.435 5.535 9.815 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.403 6.912 10.177 1.00 0.00 O ATOM 1250 CG2 THR A 108 120.871 5.114 9.484 1.00 0.00 C ATOM 0 H THR A 108 118.661 7.406 8.215 1.00 0.00 H new ATOM 0 HA THR A 108 118.802 4.384 8.068 1.00 0.00 H new ATOM 0 HB THR A 108 119.070 4.939 10.652 1.00 0.00 H new ATOM 0 HG1 THR A 108 120.016 7.416 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.508 5.278 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 108 120.888 4.058 9.216 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.240 5.707 8.647 1.00 0.00 H new ATOM 1258 N ARG A 109 116.792 4.298 9.942 1.00 0.00 N ATOM 1259 CA ARG A 109 115.386 4.095 10.398 1.00 0.00 C ATOM 1260 C ARG A 109 115.048 5.069 11.539 1.00 0.00 C ATOM 1261 O ARG A 109 113.896 5.373 11.784 1.00 0.00 O ATOM 1262 CB ARG A 109 115.339 2.634 10.882 1.00 0.00 C ATOM 1263 CG ARG A 109 116.270 2.444 12.090 1.00 0.00 C ATOM 1264 CD ARG A 109 117.139 1.192 11.904 1.00 0.00 C ATOM 1265 NE ARG A 109 118.548 1.673 12.060 1.00 0.00 N ATOM 1266 CZ ARG A 109 119.310 1.939 11.017 1.00 0.00 C ATOM 1267 NH1 ARG A 109 118.825 1.989 9.798 1.00 0.00 N ATOM 1268 NH2 ARG A 109 120.581 2.166 11.202 1.00 0.00 N ATOM 0 H ARG A 109 117.484 3.718 10.416 1.00 0.00 H new ATOM 0 HA ARG A 109 114.658 4.284 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 109 114.318 2.366 11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.638 1.966 10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.906 3.321 12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 109 115.679 2.352 13.002 1.00 0.00 H new ATOM 0 HD2 ARG A 109 116.898 0.430 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 109 116.981 0.744 10.923 1.00 0.00 H new ATOM 0 HE ARG A 109 118.929 1.798 12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 109 117.832 1.820 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 109 119.441 2.197 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 109 120.973 2.136 12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 109 121.183 2.373 10.405 1.00 0.00 H new ATOM 1282 N HIS A 110 116.048 5.554 12.238 1.00 0.00 N ATOM 1283 CA HIS A 110 115.797 6.503 13.364 1.00 0.00 C ATOM 1284 C HIS A 110 116.113 7.936 12.927 1.00 0.00 C ATOM 1285 O HIS A 110 116.487 8.772 13.726 1.00 0.00 O ATOM 1286 CB HIS A 110 116.751 6.057 14.474 1.00 0.00 C ATOM 1287 CG HIS A 110 116.083 6.220 15.812 1.00 0.00 C ATOM 1288 ND1 HIS A 110 115.366 5.196 16.413 1.00 0.00 N ATOM 1289 CD2 HIS A 110 116.017 7.282 16.680 1.00 0.00 C ATOM 1290 CE1 HIS A 110 114.904 5.659 17.588 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.272 6.926 17.801 1.00 0.00 N ATOM 0 H HIS A 110 117.030 5.331 12.074 1.00 0.00 H new ATOM 0 HA HIS A 110 114.757 6.493 13.691 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.038 5.016 14.324 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.666 6.648 14.439 1.00 0.00 H new ATOM 0 HD2 HIS A 110 116.474 8.247 16.518 1.00 0.00 H new ATOM 0 HE1 HIS A 110 114.308 5.078 18.276 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.054 7.507 18.610 1.00 0.00 H new ATOM 1299 N ALA A 111 115.958 8.224 11.656 1.00 0.00 N ATOM 1300 CA ALA A 111 116.239 9.603 11.137 1.00 0.00 C ATOM 1301 C ALA A 111 117.676 10.029 11.458 1.00 0.00 C ATOM 1302 O ALA A 111 117.908 11.063 12.057 1.00 0.00 O ATOM 1303 CB ALA A 111 115.232 10.524 11.836 1.00 0.00 C ATOM 0 H ALA A 111 115.646 7.558 10.950 1.00 0.00 H new ATOM 0 HA ALA A 111 116.139 9.647 10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.383 11.550 11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.218 10.208 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.378 10.470 12.915 1.00 0.00 H new ATOM 1309 N ASP A 112 118.641 9.246 11.047 1.00 0.00 N ATOM 1310 CA ASP A 112 120.071 9.603 11.303 1.00 0.00 C ATOM 1311 C ASP A 112 120.818 9.692 9.967 1.00 0.00 C ATOM 1312 O ASP A 112 120.540 8.944 9.048 1.00 0.00 O ATOM 1313 CB ASP A 112 120.628 8.461 12.164 1.00 0.00 C ATOM 1314 CG ASP A 112 120.899 8.966 13.584 1.00 0.00 C ATOM 1315 OD1 ASP A 112 120.675 8.208 14.514 1.00 0.00 O ATOM 1316 OD2 ASP A 112 121.327 10.101 13.717 1.00 0.00 O ATOM 0 H ASP A 112 118.500 8.371 10.543 1.00 0.00 H new ATOM 0 HA ASP A 112 120.181 10.565 11.804 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.918 7.635 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.548 8.076 11.723 1.00 0.00 H new ATOM 1321 N VAL A 113 121.749 10.605 9.845 1.00 0.00 N ATOM 1322 CA VAL A 113 122.499 10.742 8.557 1.00 0.00 C ATOM 1323 C VAL A 113 123.980 10.405 8.761 1.00 0.00 C ATOM 1324 O VAL A 113 124.633 10.937 9.639 1.00 0.00 O ATOM 1325 CB VAL A 113 122.323 12.209 8.149 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.050 12.469 6.826 1.00 0.00 C ATOM 1327 CG2 VAL A 113 120.834 12.518 7.974 1.00 0.00 C ATOM 0 H VAL A 113 122.022 11.260 10.578 1.00 0.00 H new ATOM 0 HA VAL A 113 122.129 10.061 7.790 1.00 0.00 H new ATOM 0 HB VAL A 113 122.742 12.848 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.922 13.513 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 113 124.112 12.253 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 113 122.634 11.826 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 120.711 13.561 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 113 120.417 11.874 7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 113 120.312 12.339 8.914 1.00 0.00 H new ATOM 1337 N ILE A 114 124.510 9.527 7.948 1.00 0.00 N ATOM 1338 CA ILE A 114 125.949 9.147 8.076 1.00 0.00 C ATOM 1339 C ILE A 114 126.592 9.050 6.677 1.00 0.00 C ATOM 1340 O ILE A 114 126.008 8.475 5.781 1.00 0.00 O ATOM 1341 CB ILE A 114 125.941 7.780 8.773 1.00 0.00 C ATOM 1342 CG1 ILE A 114 127.380 7.288 8.953 1.00 0.00 C ATOM 1343 CG2 ILE A 114 125.159 6.766 7.930 1.00 0.00 C ATOM 1344 CD1 ILE A 114 127.383 6.009 9.791 1.00 0.00 C ATOM 0 H ILE A 114 124.005 9.055 7.198 1.00 0.00 H new ATOM 0 HA ILE A 114 126.527 9.879 8.640 1.00 0.00 H new ATOM 0 HB ILE A 114 125.463 7.881 9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 114 127.835 7.099 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 114 127.979 8.056 9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 114 125.159 5.799 8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 114 124.132 7.111 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 114 125.629 6.667 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 114 128.408 5.660 9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 114 126.945 6.213 10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 114 126.798 5.241 9.285 1.00 0.00 H new ATOM 1356 N PRO A 115 127.775 9.612 6.524 1.00 0.00 N ATOM 1357 CA PRO A 115 128.458 9.562 5.208 1.00 0.00 C ATOM 1358 C PRO A 115 129.028 8.163 4.950 1.00 0.00 C ATOM 1359 O PRO A 115 129.467 7.485 5.859 1.00 0.00 O ATOM 1360 CB PRO A 115 129.582 10.586 5.343 1.00 0.00 C ATOM 1361 CG PRO A 115 129.856 10.675 6.811 1.00 0.00 C ATOM 1362 CD PRO A 115 128.576 10.333 7.529 1.00 0.00 C ATOM 0 HA PRO A 115 127.789 9.777 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.470 10.271 4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.284 11.553 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.652 9.986 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.191 11.677 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.765 9.713 8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.064 11.230 7.877 1.00 0.00 H new ATOM 1370 N VAL A 116 129.023 7.732 3.714 1.00 0.00 N ATOM 1371 CA VAL A 116 129.563 6.379 3.380 1.00 0.00 C ATOM 1372 C VAL A 116 130.551 6.491 2.214 1.00 0.00 C ATOM 1373 O VAL A 116 130.256 7.088 1.197 1.00 0.00 O ATOM 1374 CB VAL A 116 128.340 5.547 2.977 1.00 0.00 C ATOM 1375 CG1 VAL A 116 128.780 4.127 2.611 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.356 5.482 4.148 1.00 0.00 C ATOM 0 H VAL A 116 128.667 8.261 2.918 1.00 0.00 H new ATOM 0 HA VAL A 116 130.099 5.925 4.214 1.00 0.00 H new ATOM 0 HB VAL A 116 127.858 6.013 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 116 127.908 3.538 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 116 129.481 4.167 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.265 3.664 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 116 126.487 4.890 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 116 127.842 5.019 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.037 6.490 4.412 1.00 0.00 H new ATOM 1386 N ARG A 117 131.720 5.922 2.360 1.00 0.00 N ATOM 1387 CA ARG A 117 132.735 5.992 1.266 1.00 0.00 C ATOM 1388 C ARG A 117 132.498 4.868 0.253 1.00 0.00 C ATOM 1389 O ARG A 117 131.918 3.848 0.572 1.00 0.00 O ATOM 1390 CB ARG A 117 134.083 5.808 1.962 1.00 0.00 C ATOM 1391 CG ARG A 117 135.204 6.276 1.032 1.00 0.00 C ATOM 1392 CD ARG A 117 135.154 7.800 0.905 1.00 0.00 C ATOM 1393 NE ARG A 117 136.411 8.168 0.186 1.00 0.00 N ATOM 1394 CZ ARG A 117 136.992 9.336 0.376 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.396 10.297 1.044 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.184 9.542 -0.113 1.00 0.00 N ATOM 0 H ARG A 117 132.016 5.411 3.192 1.00 0.00 H new ATOM 0 HA ARG A 117 132.685 6.932 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.105 6.377 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.228 4.760 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.172 5.964 1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.094 5.814 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.273 8.121 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.105 8.277 1.884 1.00 0.00 H new ATOM 0 HE ARG A 117 136.828 7.502 -0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.463 10.148 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.866 11.192 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 117 138.656 8.804 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.644 10.441 0.027 1.00 0.00 H new ATOM 1410 N ARG A 118 132.945 5.051 -0.964 1.00 0.00 N ATOM 1411 CA ARG A 118 132.753 3.997 -2.005 1.00 0.00 C ATOM 1412 C ARG A 118 134.031 3.168 -2.158 1.00 0.00 C ATOM 1413 O ARG A 118 135.124 3.700 -2.226 1.00 0.00 O ATOM 1414 CB ARG A 118 132.446 4.763 -3.294 1.00 0.00 C ATOM 1415 CG ARG A 118 132.196 3.770 -4.434 1.00 0.00 C ATOM 1416 CD ARG A 118 131.547 4.499 -5.611 1.00 0.00 C ATOM 1417 NE ARG A 118 131.371 3.454 -6.665 1.00 0.00 N ATOM 1418 CZ ARG A 118 132.330 3.182 -7.527 1.00 0.00 C ATOM 1419 NH1 ARG A 118 133.542 3.663 -7.381 1.00 0.00 N ATOM 1420 NH2 ARG A 118 132.067 2.413 -8.549 1.00 0.00 N ATOM 0 H ARG A 118 133.436 5.887 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 118 131.954 3.301 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.571 5.398 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.279 5.420 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.136 3.315 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.550 2.962 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 118 130.590 4.936 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.177 5.315 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 118 130.491 2.941 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 118 133.760 4.263 -6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 118 134.266 3.437 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 118 131.129 2.031 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 118 132.799 2.194 -9.224 1.00 0.00 H new ATOM 1434 N ARG A 119 133.897 1.868 -2.212 1.00 0.00 N ATOM 1435 CA ARG A 119 135.096 0.989 -2.362 1.00 0.00 C ATOM 1436 C ARG A 119 135.019 0.173 -3.660 1.00 0.00 C ATOM 1437 O ARG A 119 135.996 -0.425 -4.075 1.00 0.00 O ATOM 1438 CB ARG A 119 135.055 0.062 -1.145 1.00 0.00 C ATOM 1439 CG ARG A 119 136.483 -0.330 -0.749 1.00 0.00 C ATOM 1440 CD ARG A 119 136.826 -1.698 -1.348 1.00 0.00 C ATOM 1441 NE ARG A 119 138.323 -1.747 -1.386 1.00 0.00 N ATOM 1442 CZ ARG A 119 138.960 -2.671 -2.076 1.00 0.00 C ATOM 1443 NH1 ARG A 119 138.327 -3.698 -2.595 1.00 0.00 N ATOM 1444 NH2 ARG A 119 140.250 -2.564 -2.245 1.00 0.00 N ATOM 0 H ARG A 119 133.006 1.375 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 119 136.020 1.566 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.560 0.561 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 119 134.472 -0.830 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 119 137.189 0.421 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.574 -0.364 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 119 136.421 -2.507 -0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 119 136.403 -1.808 -2.347 1.00 0.00 H new ATOM 0 HE ARG A 119 138.859 -1.051 -0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 119 137.319 -3.793 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 119 138.843 -4.400 -3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.753 -1.772 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 119 140.755 -3.273 -2.777 1.00 0.00 H new ATOM 1458 N GLY A 120 133.876 0.140 -4.306 1.00 0.00 N ATOM 1459 CA GLY A 120 133.754 -0.642 -5.572 1.00 0.00 C ATOM 1460 C GLY A 120 132.433 -0.304 -6.261 1.00 0.00 C ATOM 1461 O GLY A 120 131.826 0.718 -5.996 1.00 0.00 O ATOM 0 H GLY A 120 133.026 0.620 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.589 -0.413 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.800 -1.710 -5.357 1.00 0.00 H new ATOM 1465 N ASP A 121 131.986 -1.155 -7.148 1.00 0.00 N ATOM 1466 CA ASP A 121 130.703 -0.894 -7.869 1.00 0.00 C ATOM 1467 C ASP A 121 129.506 -1.031 -6.921 1.00 0.00 C ATOM 1468 O ASP A 121 128.543 -0.293 -7.020 1.00 0.00 O ATOM 1469 CB ASP A 121 130.637 -1.950 -8.981 1.00 0.00 C ATOM 1470 CG ASP A 121 130.680 -3.356 -8.371 1.00 0.00 C ATOM 1471 OD1 ASP A 121 129.735 -4.098 -8.579 1.00 0.00 O ATOM 1472 OD2 ASP A 121 131.658 -3.665 -7.710 1.00 0.00 O ATOM 0 H ASP A 121 132.456 -2.023 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 121 130.666 0.119 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 121 129.722 -1.824 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 121 131.471 -1.818 -9.670 1.00 0.00 H new ATOM 1477 N SER A 122 129.552 -1.975 -6.011 1.00 0.00 N ATOM 1478 CA SER A 122 128.407 -2.161 -5.068 1.00 0.00 C ATOM 1479 C SER A 122 128.902 -2.333 -3.627 1.00 0.00 C ATOM 1480 O SER A 122 128.253 -2.970 -2.817 1.00 0.00 O ATOM 1481 CB SER A 122 127.710 -3.433 -5.546 1.00 0.00 C ATOM 1482 OG SER A 122 127.302 -3.265 -6.899 1.00 0.00 O ATOM 0 H SER A 122 130.330 -2.622 -5.882 1.00 0.00 H new ATOM 0 HA SER A 122 127.742 -1.298 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.384 -4.285 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 122 126.846 -3.646 -4.917 1.00 0.00 H new ATOM 0 HG SER A 122 128.038 -3.514 -7.496 1.00 0.00 H new ATOM 1488 N ARG A 123 130.038 -1.772 -3.298 1.00 0.00 N ATOM 1489 CA ARG A 123 130.567 -1.902 -1.905 1.00 0.00 C ATOM 1490 C ARG A 123 131.227 -0.589 -1.463 1.00 0.00 C ATOM 1491 O ARG A 123 131.921 0.060 -2.222 1.00 0.00 O ATOM 1492 CB ARG A 123 131.581 -3.061 -1.973 1.00 0.00 C ATOM 1493 CG ARG A 123 132.436 -3.121 -0.695 1.00 0.00 C ATOM 1494 CD ARG A 123 131.545 -3.451 0.503 1.00 0.00 C ATOM 1495 NE ARG A 123 132.445 -4.142 1.478 1.00 0.00 N ATOM 1496 CZ ARG A 123 133.337 -3.476 2.185 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.352 -2.163 2.219 1.00 0.00 N ATOM 1498 NH2 ARG A 123 134.228 -4.140 2.871 1.00 0.00 N ATOM 0 H ARG A 123 130.623 -1.229 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 123 129.785 -2.105 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.052 -4.005 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.227 -2.933 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 123 133.214 -3.877 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 123 132.938 -2.167 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.115 -2.548 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 123 130.713 -4.092 0.211 1.00 0.00 H new ATOM 0 HE ARG A 123 132.367 -5.152 1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.661 -1.631 1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.054 -1.675 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 123 134.228 -5.160 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 123 134.924 -3.639 3.423 1.00 0.00 H new ATOM 1512 N GLY A 124 131.015 -0.212 -0.230 1.00 0.00 N ATOM 1513 CA GLY A 124 131.620 1.043 0.300 1.00 0.00 C ATOM 1514 C GLY A 124 131.909 0.853 1.790 1.00 0.00 C ATOM 1515 O GLY A 124 131.366 -0.035 2.421 1.00 0.00 O ATOM 0 H GLY A 124 130.442 -0.726 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.539 1.276 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.942 1.883 0.150 1.00 0.00 H new ATOM 1519 N SER A 125 132.756 1.673 2.357 1.00 0.00 N ATOM 1520 CA SER A 125 133.075 1.533 3.809 1.00 0.00 C ATOM 1521 C SER A 125 132.258 2.535 4.627 1.00 0.00 C ATOM 1522 O SER A 125 131.706 3.479 4.094 1.00 0.00 O ATOM 1523 CB SER A 125 134.568 1.830 3.923 1.00 0.00 C ATOM 1524 OG SER A 125 134.793 3.214 3.698 1.00 0.00 O ATOM 0 H SER A 125 133.240 2.432 1.878 1.00 0.00 H new ATOM 0 HA SER A 125 132.833 0.541 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 125 134.932 1.547 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.124 1.237 3.197 1.00 0.00 H new ATOM 0 HG SER A 125 135.751 3.406 3.773 1.00 0.00 H new ATOM 1530 N LEU A 126 132.175 2.330 5.915 1.00 0.00 N ATOM 1531 CA LEU A 126 131.390 3.261 6.779 1.00 0.00 C ATOM 1532 C LEU A 126 132.328 4.028 7.717 1.00 0.00 C ATOM 1533 O LEU A 126 133.133 3.443 8.417 1.00 0.00 O ATOM 1534 CB LEU A 126 130.451 2.353 7.575 1.00 0.00 C ATOM 1535 CG LEU A 126 129.453 3.205 8.360 1.00 0.00 C ATOM 1536 CD1 LEU A 126 128.429 3.817 7.399 1.00 0.00 C ATOM 1537 CD2 LEU A 126 128.733 2.320 9.379 1.00 0.00 C ATOM 0 H LEU A 126 132.619 1.555 6.408 1.00 0.00 H new ATOM 0 HA LEU A 126 130.844 4.007 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 126 129.919 1.682 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.026 1.728 8.258 1.00 0.00 H new ATOM 0 HG LEU A 126 129.982 4.006 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 126 127.719 4.424 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 126 128.943 4.443 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 126 127.895 3.021 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.019 2.921 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.204 1.522 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 126 129.462 1.886 10.063 1.00 0.00 H new ATOM 1549 N LEU A 127 132.229 5.332 7.730 1.00 0.00 N ATOM 1550 CA LEU A 127 133.114 6.149 8.618 1.00 0.00 C ATOM 1551 C LEU A 127 132.823 5.842 10.091 1.00 0.00 C ATOM 1552 O LEU A 127 133.724 5.761 10.904 1.00 0.00 O ATOM 1553 CB LEU A 127 132.776 7.607 8.297 1.00 0.00 C ATOM 1554 CG LEU A 127 133.651 8.090 7.139 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.094 7.557 5.818 1.00 0.00 C ATOM 1556 CD2 LEU A 127 133.656 9.621 7.108 1.00 0.00 C ATOM 0 H LEU A 127 131.572 5.869 7.163 1.00 0.00 H new ATOM 0 HA LEU A 127 134.169 5.932 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.722 7.698 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.939 8.231 9.175 1.00 0.00 H new ATOM 0 HG LEU A 127 134.668 7.724 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.719 7.902 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.090 6.467 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.076 7.921 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.279 9.966 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.638 9.985 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 127 134.054 10.003 8.048 1.00 0.00 H new ATOM 1568 N SER A 128 131.572 5.675 10.437 1.00 0.00 N ATOM 1569 CA SER A 128 131.215 5.377 11.857 1.00 0.00 C ATOM 1570 C SER A 128 130.949 3.872 12.036 1.00 0.00 C ATOM 1571 O SER A 128 129.926 3.383 11.601 1.00 0.00 O ATOM 1572 CB SER A 128 129.938 6.176 12.117 1.00 0.00 C ATOM 1573 OG SER A 128 129.646 6.153 13.508 1.00 0.00 O ATOM 0 H SER A 128 130.781 5.732 9.796 1.00 0.00 H new ATOM 0 HA SER A 128 132.015 5.643 12.548 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.063 7.204 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 128 129.108 5.751 11.552 1.00 0.00 H new ATOM 0 HG SER A 128 128.829 6.666 13.679 1.00 0.00 H new ATOM 1579 N PRO A 129 131.871 3.175 12.672 1.00 0.00 N ATOM 1580 CA PRO A 129 131.690 1.724 12.886 1.00 0.00 C ATOM 1581 C PRO A 129 130.682 1.469 14.010 1.00 0.00 C ATOM 1582 O PRO A 129 130.934 1.776 15.161 1.00 0.00 O ATOM 1583 CB PRO A 129 133.081 1.234 13.276 1.00 0.00 C ATOM 1584 CG PRO A 129 133.772 2.429 13.847 1.00 0.00 C ATOM 1585 CD PRO A 129 133.138 3.654 13.238 1.00 0.00 C ATOM 0 HA PRO A 129 131.299 1.210 12.008 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.024 0.426 14.006 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.618 0.845 12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 129 133.674 2.446 14.932 1.00 0.00 H new ATOM 0 HG3 PRO A 129 134.838 2.398 13.624 1.00 0.00 H new ATOM 0 HD2 PRO A 129 132.970 4.427 13.988 1.00 0.00 H new ATOM 0 HD3 PRO A 129 133.776 4.089 12.469 1.00 0.00 H new ATOM 1593 N ARG A 130 129.545 0.911 13.683 1.00 0.00 N ATOM 1594 CA ARG A 130 128.512 0.632 14.726 1.00 0.00 C ATOM 1595 C ARG A 130 128.227 -0.876 14.790 1.00 0.00 C ATOM 1596 O ARG A 130 128.430 -1.574 13.819 1.00 0.00 O ATOM 1597 CB ARG A 130 127.262 1.392 14.271 1.00 0.00 C ATOM 1598 CG ARG A 130 127.575 2.892 14.145 1.00 0.00 C ATOM 1599 CD ARG A 130 127.042 3.430 12.809 1.00 0.00 C ATOM 1600 NE ARG A 130 125.930 4.368 13.168 1.00 0.00 N ATOM 1601 CZ ARG A 130 125.142 4.878 12.243 1.00 0.00 C ATOM 1602 NH1 ARG A 130 125.163 4.439 11.006 1.00 0.00 N ATOM 1603 NH2 ARG A 130 124.319 5.838 12.565 1.00 0.00 N ATOM 0 H ARG A 130 129.286 0.636 12.736 1.00 0.00 H new ATOM 0 HA ARG A 130 128.835 0.943 15.719 1.00 0.00 H new ATOM 0 HB2 ARG A 130 126.918 1.002 13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.453 1.240 14.986 1.00 0.00 H new ATOM 0 HG2 ARG A 130 127.122 3.437 14.973 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.651 3.054 14.208 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.825 3.945 12.253 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.682 2.619 12.175 1.00 0.00 H new ATOM 0 HE ARG A 130 125.780 4.616 14.146 1.00 0.00 H new ATOM 0 HH11 ARG A 130 125.799 3.687 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 130 124.543 4.850 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 130 124.291 6.185 13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 130 123.704 6.241 11.858 1.00 0.00 H new ATOM 1617 N PRO A 131 127.760 -1.338 15.930 1.00 0.00 N ATOM 1618 CA PRO A 131 127.453 -2.783 16.080 1.00 0.00 C ATOM 1619 C PRO A 131 126.226 -3.147 15.243 1.00 0.00 C ATOM 1620 O PRO A 131 125.355 -2.327 15.022 1.00 0.00 O ATOM 1621 CB PRO A 131 127.168 -2.938 17.573 1.00 0.00 C ATOM 1622 CG PRO A 131 126.741 -1.579 18.026 1.00 0.00 C ATOM 1623 CD PRO A 131 127.472 -0.586 17.162 1.00 0.00 C ATOM 0 HA PRO A 131 128.258 -3.435 15.742 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.387 -3.677 17.752 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.054 -3.274 18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.662 -1.459 17.926 1.00 0.00 H new ATOM 0 HG3 PRO A 131 126.982 -1.428 19.078 1.00 0.00 H new ATOM 0 HD2 PRO A 131 126.862 0.294 16.960 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.387 -0.236 17.641 1.00 0.00 H new ATOM 1631 N VAL A 132 126.146 -4.372 14.770 1.00 0.00 N ATOM 1632 CA VAL A 132 124.966 -4.785 13.941 1.00 0.00 C ATOM 1633 C VAL A 132 123.661 -4.474 14.692 1.00 0.00 C ATOM 1634 O VAL A 132 122.667 -4.127 14.090 1.00 0.00 O ATOM 1635 CB VAL A 132 125.127 -6.303 13.721 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.907 -6.867 12.974 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.394 -6.576 12.893 1.00 0.00 C ATOM 0 H VAL A 132 126.844 -5.100 14.922 1.00 0.00 H new ATOM 0 HA VAL A 132 124.921 -4.250 12.992 1.00 0.00 H new ATOM 0 HB VAL A 132 125.209 -6.788 14.694 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.035 -7.939 12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.006 -6.687 13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.814 -6.376 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.504 -7.650 12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.312 -6.078 11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.265 -6.194 13.425 1.00 0.00 H new ATOM 1647 N SER A 133 123.666 -4.595 15.997 1.00 0.00 N ATOM 1648 CA SER A 133 122.426 -4.312 16.791 1.00 0.00 C ATOM 1649 C SER A 133 121.939 -2.881 16.540 1.00 0.00 C ATOM 1650 O SER A 133 120.777 -2.655 16.257 1.00 0.00 O ATOM 1651 CB SER A 133 122.836 -4.484 18.254 1.00 0.00 C ATOM 1652 OG SER A 133 121.698 -4.304 19.086 1.00 0.00 O ATOM 0 H SER A 133 124.476 -4.878 16.549 1.00 0.00 H new ATOM 0 HA SER A 133 121.608 -4.977 16.514 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.261 -5.475 18.410 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.609 -3.761 18.514 1.00 0.00 H new ATOM 0 HG SER A 133 121.958 -4.415 20.024 1.00 0.00 H new ATOM 1658 N TYR A 134 122.820 -1.918 16.632 1.00 0.00 N ATOM 1659 CA TYR A 134 122.411 -0.499 16.391 1.00 0.00 C ATOM 1660 C TYR A 134 122.016 -0.322 14.922 1.00 0.00 C ATOM 1661 O TYR A 134 121.081 0.386 14.598 1.00 0.00 O ATOM 1662 CB TYR A 134 123.649 0.341 16.726 1.00 0.00 C ATOM 1663 CG TYR A 134 123.347 1.802 16.510 1.00 0.00 C ATOM 1664 CD1 TYR A 134 122.748 2.560 17.522 1.00 0.00 C ATOM 1665 CD2 TYR A 134 123.667 2.392 15.289 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.470 3.915 17.307 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.391 3.746 15.069 1.00 0.00 C ATOM 1668 CZ TYR A 134 122.791 4.508 16.079 1.00 0.00 C ATOM 1669 OH TYR A 134 122.517 5.844 15.864 1.00 0.00 O ATOM 0 H TYR A 134 123.804 -2.051 16.863 1.00 0.00 H new ATOM 0 HA TYR A 134 121.554 -0.202 16.995 1.00 0.00 H new ATOM 0 HB2 TYR A 134 123.947 0.171 17.761 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.487 0.037 16.099 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.501 2.100 18.468 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.129 1.803 14.511 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.009 4.503 18.087 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.640 4.202 14.122 1.00 0.00 H new ATOM 0 HH TYR A 134 122.804 6.096 14.961 1.00 0.00 H new ATOM 1679 N LEU A 135 122.729 -0.966 14.040 1.00 0.00 N ATOM 1680 CA LEU A 135 122.423 -0.857 12.582 1.00 0.00 C ATOM 1681 C LEU A 135 121.426 -1.950 12.162 1.00 0.00 C ATOM 1682 O LEU A 135 121.275 -2.240 10.991 1.00 0.00 O ATOM 1683 CB LEU A 135 123.790 -1.063 11.909 1.00 0.00 C ATOM 1684 CG LEU A 135 123.706 -0.859 10.387 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.182 0.542 10.064 1.00 0.00 C ATOM 1686 CD2 LEU A 135 125.104 -1.020 9.787 1.00 0.00 C ATOM 0 H LEU A 135 123.519 -1.570 14.268 1.00 0.00 H new ATOM 0 HA LEU A 135 121.962 0.092 12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.513 -0.365 12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 135 124.154 -2.068 12.123 1.00 0.00 H new ATOM 0 HG LEU A 135 123.024 -1.597 9.966 1.00 0.00 H new ATOM 0 HD11 LEU A 135 123.129 0.670 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.188 0.667 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.856 1.288 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 135 125.055 -0.877 8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.774 -0.278 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 135 125.480 -2.020 10.004 1.00 0.00 H new ATOM 1698 N LYS A 136 120.740 -2.567 13.103 1.00 0.00 N ATOM 1699 CA LYS A 136 119.774 -3.640 12.725 1.00 0.00 C ATOM 1700 C LYS A 136 118.437 -3.080 12.310 1.00 0.00 C ATOM 1701 O LYS A 136 117.762 -2.389 13.048 1.00 0.00 O ATOM 1702 CB LYS A 136 119.652 -4.568 13.934 1.00 0.00 C ATOM 1703 CG LYS A 136 119.426 -5.992 13.429 1.00 0.00 C ATOM 1704 CD LYS A 136 119.625 -6.990 14.570 1.00 0.00 C ATOM 1705 CE LYS A 136 119.929 -8.378 13.990 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.913 -9.285 14.595 1.00 0.00 N ATOM 0 H LYS A 136 120.810 -2.373 14.102 1.00 0.00 H new ATOM 0 HA LYS A 136 120.136 -4.187 11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.556 -4.520 14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.824 -4.255 14.570 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.419 -6.087 13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.119 -6.213 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.444 -6.665 15.212 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.730 -7.032 15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 136 119.856 -8.375 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.941 -8.697 14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 119.059 -10.253 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 119.010 -9.274 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 117.960 -8.962 14.333 1.00 0.00 H new ATOM 1720 N GLY A 137 118.066 -3.394 11.099 1.00 0.00 N ATOM 1721 CA GLY A 137 116.763 -2.901 10.567 1.00 0.00 C ATOM 1722 C GLY A 137 116.998 -1.711 9.640 1.00 0.00 C ATOM 1723 O GLY A 137 116.184 -0.811 9.553 1.00 0.00 O ATOM 0 H GLY A 137 118.608 -3.970 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.255 -3.700 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.111 -2.609 11.390 1.00 0.00 H new ATOM 1727 N SER A 138 118.100 -1.710 8.936 1.00 0.00 N ATOM 1728 CA SER A 138 118.391 -0.586 7.999 1.00 0.00 C ATOM 1729 C SER A 138 118.191 -1.032 6.546 1.00 0.00 C ATOM 1730 O SER A 138 118.604 -0.348 5.628 1.00 0.00 O ATOM 1731 CB SER A 138 119.856 -0.233 8.239 1.00 0.00 C ATOM 1732 OG SER A 138 120.127 -0.262 9.634 1.00 0.00 O ATOM 0 H SER A 138 118.811 -2.440 8.970 1.00 0.00 H new ATOM 0 HA SER A 138 117.728 0.263 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.502 -0.939 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 138 120.074 0.756 7.836 1.00 0.00 H new ATOM 0 HG SER A 138 120.420 -1.161 9.892 1.00 0.00 H new ATOM 1738 N SER A 139 117.570 -2.169 6.324 1.00 0.00 N ATOM 1739 CA SER A 139 117.360 -2.640 4.921 1.00 0.00 C ATOM 1740 C SER A 139 116.482 -1.642 4.164 1.00 0.00 C ATOM 1741 O SER A 139 115.572 -1.060 4.722 1.00 0.00 O ATOM 1742 CB SER A 139 116.661 -3.992 5.052 1.00 0.00 C ATOM 1743 OG SER A 139 117.421 -4.827 5.919 1.00 0.00 O ATOM 0 H SER A 139 117.203 -2.785 7.050 1.00 0.00 H new ATOM 0 HA SER A 139 118.294 -2.726 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.654 -3.858 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.560 -4.460 4.073 1.00 0.00 H new ATOM 0 HG SER A 139 117.428 -5.742 5.569 1.00 0.00 H new ATOM 1749 N GLY A 140 116.751 -1.436 2.900 1.00 0.00 N ATOM 1750 CA GLY A 140 115.934 -0.471 2.103 1.00 0.00 C ATOM 1751 C GLY A 140 116.432 0.967 2.317 1.00 0.00 C ATOM 1752 O GLY A 140 115.813 1.909 1.859 1.00 0.00 O ATOM 0 H GLY A 140 117.502 -1.895 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.989 -0.727 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.886 -0.546 2.395 1.00 0.00 H new ATOM 1756 N GLY A 141 117.535 1.150 3.009 1.00 0.00 N ATOM 1757 CA GLY A 141 118.055 2.531 3.247 1.00 0.00 C ATOM 1758 C GLY A 141 118.351 3.219 1.899 1.00 0.00 C ATOM 1759 O GLY A 141 118.958 2.621 1.032 1.00 0.00 O ATOM 0 H GLY A 141 118.094 0.401 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 141 117.324 3.112 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.962 2.489 3.851 1.00 0.00 H new ATOM 1763 N PRO A 142 117.911 4.455 1.753 1.00 0.00 N ATOM 1764 CA PRO A 142 118.146 5.193 0.486 1.00 0.00 C ATOM 1765 C PRO A 142 119.567 5.765 0.441 1.00 0.00 C ATOM 1766 O PRO A 142 119.923 6.612 1.240 1.00 0.00 O ATOM 1767 CB PRO A 142 117.140 6.336 0.548 1.00 0.00 C ATOM 1768 CG PRO A 142 116.895 6.566 2.006 1.00 0.00 C ATOM 1769 CD PRO A 142 117.165 5.268 2.725 1.00 0.00 C ATOM 0 HA PRO A 142 118.035 4.557 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.533 7.233 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.217 6.076 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.545 7.355 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.868 6.891 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 142 117.745 5.431 3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 142 116.237 4.779 3.022 1.00 0.00 H new ATOM 1777 N LEU A 143 120.371 5.331 -0.497 1.00 0.00 N ATOM 1778 CA LEU A 143 121.759 5.877 -0.607 1.00 0.00 C ATOM 1779 C LEU A 143 121.787 6.951 -1.694 1.00 0.00 C ATOM 1780 O LEU A 143 121.758 6.648 -2.872 1.00 0.00 O ATOM 1781 CB LEU A 143 122.638 4.689 -1.001 1.00 0.00 C ATOM 1782 CG LEU A 143 122.901 3.816 0.225 1.00 0.00 C ATOM 1783 CD1 LEU A 143 121.650 2.995 0.541 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.069 2.872 -0.065 1.00 0.00 C ATOM 0 H LEU A 143 120.127 4.624 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 143 122.106 6.332 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.148 4.103 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.581 5.044 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 143 123.147 4.449 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 143 121.835 2.371 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 143 120.816 3.667 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 143 121.406 2.361 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.258 2.248 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 143 123.822 2.238 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 143 124.961 3.456 -0.294 1.00 0.00 H new ATOM 1796 N LEU A 144 121.825 8.203 -1.310 1.00 0.00 N ATOM 1797 CA LEU A 144 121.835 9.300 -2.324 1.00 0.00 C ATOM 1798 C LEU A 144 123.123 10.124 -2.231 1.00 0.00 C ATOM 1799 O LEU A 144 123.681 10.307 -1.167 1.00 0.00 O ATOM 1800 CB LEU A 144 120.625 10.169 -1.979 1.00 0.00 C ATOM 1801 CG LEU A 144 119.366 9.569 -2.608 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.001 8.269 -1.890 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.209 10.564 -2.480 1.00 0.00 C ATOM 0 H LEU A 144 121.850 8.512 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 144 121.790 8.908 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.508 10.234 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 144 120.778 11.184 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 144 119.553 9.359 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.104 7.844 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.824 7.560 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.815 8.475 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.311 10.138 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.024 10.774 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 144 118.467 11.490 -2.995 1.00 0.00 H new ATOM 1815 N CYS A 145 123.585 10.628 -3.346 1.00 0.00 N ATOM 1816 CA CYS A 145 124.831 11.458 -3.350 1.00 0.00 C ATOM 1817 C CYS A 145 124.519 12.853 -2.783 1.00 0.00 C ATOM 1818 O CYS A 145 123.385 13.131 -2.447 1.00 0.00 O ATOM 1819 CB CYS A 145 125.242 11.554 -4.830 1.00 0.00 C ATOM 1820 SG CYS A 145 126.789 10.650 -5.112 1.00 0.00 S ATOM 0 H CYS A 145 123.151 10.500 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 145 125.625 11.029 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 145 124.453 11.145 -5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.367 12.599 -5.113 1.00 0.00 H new ATOM 0 HG CYS A 145 126.883 10.332 -6.369 1.00 0.00 H new ATOM 1825 N PRO A 146 125.525 13.698 -2.695 1.00 0.00 N ATOM 1826 CA PRO A 146 125.303 15.067 -2.165 1.00 0.00 C ATOM 1827 C PRO A 146 124.486 15.899 -3.159 1.00 0.00 C ATOM 1828 O PRO A 146 123.814 16.841 -2.783 1.00 0.00 O ATOM 1829 CB PRO A 146 126.714 15.629 -2.004 1.00 0.00 C ATOM 1830 CG PRO A 146 127.550 14.852 -2.967 1.00 0.00 C ATOM 1831 CD PRO A 146 126.935 13.481 -3.071 1.00 0.00 C ATOM 0 HA PRO A 146 124.742 15.079 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 146 126.742 16.695 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.073 15.508 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.572 15.340 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.581 14.788 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.022 13.079 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.423 12.772 -2.402 1.00 0.00 H new ATOM 1839 N SER A 147 124.536 15.555 -4.423 1.00 0.00 N ATOM 1840 CA SER A 147 123.757 16.322 -5.444 1.00 0.00 C ATOM 1841 C SER A 147 122.259 16.063 -5.264 1.00 0.00 C ATOM 1842 O SER A 147 121.448 16.963 -5.379 1.00 0.00 O ATOM 1843 CB SER A 147 124.233 15.794 -6.797 1.00 0.00 C ATOM 1844 OG SER A 147 123.581 16.510 -7.837 1.00 0.00 O ATOM 0 H SER A 147 125.082 14.776 -4.791 1.00 0.00 H new ATOM 0 HA SER A 147 123.910 17.397 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.314 15.907 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.016 14.729 -6.881 1.00 0.00 H new ATOM 0 HG SER A 147 123.885 16.174 -8.706 1.00 0.00 H new ATOM 1850 N GLY A 148 121.890 14.839 -4.979 1.00 0.00 N ATOM 1851 CA GLY A 148 120.445 14.511 -4.787 1.00 0.00 C ATOM 1852 C GLY A 148 120.040 13.385 -5.741 1.00 0.00 C ATOM 1853 O GLY A 148 119.012 13.451 -6.388 1.00 0.00 O ATOM 0 H GLY A 148 122.529 14.052 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.265 14.209 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 148 119.834 15.395 -4.972 1.00 0.00 H new ATOM 1857 N HIS A 149 120.840 12.353 -5.829 1.00 0.00 N ATOM 1858 CA HIS A 149 120.507 11.215 -6.741 1.00 0.00 C ATOM 1859 C HIS A 149 120.757 9.879 -6.037 1.00 0.00 C ATOM 1860 O HIS A 149 121.775 9.688 -5.400 1.00 0.00 O ATOM 1861 CB HIS A 149 121.450 11.375 -7.932 1.00 0.00 C ATOM 1862 CG HIS A 149 121.110 12.635 -8.679 1.00 0.00 C ATOM 1863 ND1 HIS A 149 120.421 12.618 -9.881 1.00 0.00 N ATOM 1864 CD2 HIS A 149 121.360 13.957 -8.408 1.00 0.00 C ATOM 1865 CE1 HIS A 149 120.282 13.894 -10.285 1.00 0.00 C ATOM 1866 NE2 HIS A 149 120.837 14.750 -9.423 1.00 0.00 N ATOM 0 H HIS A 149 121.711 12.248 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 149 119.460 11.223 -7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.484 11.412 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.365 10.513 -8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 149 121.884 14.325 -7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 149 119.782 14.190 -11.196 1.00 0.00 H new ATOM 0 HE2 HIS A 149 120.870 15.767 -9.494 1.00 0.00 H new ATOM 1874 N ALA A 150 119.837 8.954 -6.150 1.00 0.00 N ATOM 1875 CA ALA A 150 120.017 7.624 -5.489 1.00 0.00 C ATOM 1876 C ALA A 150 120.981 6.752 -6.300 1.00 0.00 C ATOM 1877 O ALA A 150 120.954 6.752 -7.516 1.00 0.00 O ATOM 1878 CB ALA A 150 118.621 6.997 -5.463 1.00 0.00 C ATOM 0 H ALA A 150 118.968 9.062 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 150 120.440 7.718 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.672 6.016 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.945 7.638 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.251 6.891 -6.483 1.00 0.00 H new ATOM 1884 N VAL A 151 121.830 6.012 -5.632 1.00 0.00 N ATOM 1885 CA VAL A 151 122.801 5.137 -6.357 1.00 0.00 C ATOM 1886 C VAL A 151 122.552 3.660 -6.024 1.00 0.00 C ATOM 1887 O VAL A 151 122.875 2.784 -6.804 1.00 0.00 O ATOM 1888 CB VAL A 151 124.187 5.577 -5.872 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.414 7.041 -6.246 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.285 5.423 -4.350 1.00 0.00 C ATOM 0 H VAL A 151 121.893 5.976 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 151 122.703 5.233 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 151 124.945 4.952 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.399 7.356 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.355 7.153 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.650 7.660 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.273 5.738 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.526 6.042 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 151 124.126 4.379 -4.079 1.00 0.00 H new ATOM 1900 N GLY A 152 121.984 3.375 -4.875 1.00 0.00 N ATOM 1901 CA GLY A 152 121.722 1.950 -4.504 1.00 0.00 C ATOM 1902 C GLY A 152 120.933 1.878 -3.194 1.00 0.00 C ATOM 1903 O GLY A 152 120.504 2.881 -2.658 1.00 0.00 O ATOM 0 H GLY A 152 121.692 4.065 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 152 121.164 1.457 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.666 1.415 -4.398 1.00 0.00 H new ATOM 1907 N ILE A 153 120.740 0.688 -2.681 1.00 0.00 N ATOM 1908 CA ILE A 153 119.978 0.520 -1.405 1.00 0.00 C ATOM 1909 C ILE A 153 120.787 -0.350 -0.430 1.00 0.00 C ATOM 1910 O ILE A 153 121.653 -1.102 -0.837 1.00 0.00 O ATOM 1911 CB ILE A 153 118.675 -0.176 -1.821 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.860 0.766 -2.711 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.847 -0.530 -0.581 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.841 -0.043 -3.517 1.00 0.00 C ATOM 0 H ILE A 153 121.080 -0.180 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 153 119.784 1.464 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 153 118.919 -1.089 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.348 1.508 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.522 1.310 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.925 -1.023 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.420 -1.199 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.606 0.380 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 153 116.262 0.629 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 153 117.364 -0.768 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 153 116.171 -0.567 -2.835 1.00 0.00 H new ATOM 1926 N PHE A 154 120.512 -0.253 0.850 1.00 0.00 N ATOM 1927 CA PHE A 154 121.270 -1.079 1.843 1.00 0.00 C ATOM 1928 C PHE A 154 120.889 -2.552 1.703 1.00 0.00 C ATOM 1929 O PHE A 154 119.770 -2.882 1.353 1.00 0.00 O ATOM 1930 CB PHE A 154 120.869 -0.551 3.224 1.00 0.00 C ATOM 1931 CG PHE A 154 121.849 -1.064 4.263 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.228 -0.895 4.073 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.381 -1.716 5.411 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.133 -1.372 5.027 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.289 -2.190 6.366 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.663 -2.017 6.174 1.00 0.00 C ATOM 0 H PHE A 154 119.799 0.359 1.248 1.00 0.00 H new ATOM 0 HA PHE A 154 122.346 -1.007 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 154 120.862 0.539 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.858 -0.875 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.592 -0.395 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.320 -1.853 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.195 -1.242 4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.927 -2.690 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.361 -2.382 6.913 1.00 0.00 H new ATOM 1946 N ARG A 155 121.816 -3.435 1.968 1.00 0.00 N ATOM 1947 CA ARG A 155 121.530 -4.893 1.845 1.00 0.00 C ATOM 1948 C ARG A 155 122.025 -5.644 3.097 1.00 0.00 C ATOM 1949 O ARG A 155 121.250 -5.967 3.988 1.00 0.00 O ATOM 1950 CB ARG A 155 122.300 -5.318 0.584 1.00 0.00 C ATOM 1951 CG ARG A 155 122.207 -6.839 0.376 1.00 0.00 C ATOM 1952 CD ARG A 155 123.594 -7.405 0.032 1.00 0.00 C ATOM 1953 NE ARG A 155 123.471 -7.923 -1.366 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.736 -7.160 -2.408 1.00 0.00 C ATOM 1955 NH1 ARG A 155 123.925 -5.867 -2.282 1.00 0.00 N ATOM 1956 NH2 ARG A 155 123.810 -7.702 -3.593 1.00 0.00 N ATOM 0 H ARG A 155 122.764 -3.206 2.266 1.00 0.00 H new ATOM 0 HA ARG A 155 120.466 -5.118 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.895 -4.802 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.345 -5.021 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.824 -7.316 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 155 121.504 -7.063 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 155 124.362 -6.634 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.877 -8.199 0.723 1.00 0.00 H new ATOM 0 HE ARG A 155 123.176 -8.888 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 155 123.868 -5.431 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.129 -5.299 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 155 123.663 -8.705 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 155 124.014 -7.122 -4.407 1.00 0.00 H new ATOM 1970 N ALA A 156 123.301 -5.931 3.171 1.00 0.00 N ATOM 1971 CA ALA A 156 123.824 -6.668 4.357 1.00 0.00 C ATOM 1972 C ALA A 156 124.893 -5.857 5.086 1.00 0.00 C ATOM 1973 O ALA A 156 125.703 -5.179 4.487 1.00 0.00 O ATOM 1974 CB ALA A 156 124.433 -7.957 3.798 1.00 0.00 C ATOM 0 H ALA A 156 123.997 -5.688 2.466 1.00 0.00 H new ATOM 0 HA ALA A 156 123.033 -6.863 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.839 -8.552 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.663 -8.529 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 156 125.231 -7.709 3.099 1.00 0.00 H new ATOM 1980 N ALA A 157 124.899 -5.958 6.383 1.00 0.00 N ATOM 1981 CA ALA A 157 125.919 -5.233 7.204 1.00 0.00 C ATOM 1982 C ALA A 157 127.102 -6.172 7.463 1.00 0.00 C ATOM 1983 O ALA A 157 126.923 -7.307 7.853 1.00 0.00 O ATOM 1984 CB ALA A 157 125.207 -4.882 8.511 1.00 0.00 C ATOM 0 H ALA A 157 124.236 -6.517 6.920 1.00 0.00 H new ATOM 0 HA ALA A 157 126.305 -4.339 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.894 -4.347 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.344 -4.252 8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.875 -5.797 9.002 1.00 0.00 H new ATOM 1990 N VAL A 158 128.303 -5.718 7.208 1.00 0.00 N ATOM 1991 CA VAL A 158 129.503 -6.604 7.390 1.00 0.00 C ATOM 1992 C VAL A 158 130.219 -6.308 8.712 1.00 0.00 C ATOM 1993 O VAL A 158 130.671 -5.203 8.942 1.00 0.00 O ATOM 1994 CB VAL A 158 130.454 -6.284 6.214 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.409 -7.467 5.988 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.668 -6.012 4.919 1.00 0.00 C ATOM 0 H VAL A 158 128.509 -4.774 6.882 1.00 0.00 H new ATOM 0 HA VAL A 158 129.203 -7.652 7.410 1.00 0.00 H new ATOM 0 HB VAL A 158 131.019 -5.388 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.079 -7.240 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.995 -7.639 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.831 -8.361 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.364 -5.790 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.079 -6.892 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 158 129.003 -5.161 5.069 1.00 0.00 H new ATOM 2006 N CYS A 159 130.343 -7.293 9.571 1.00 0.00 N ATOM 2007 CA CYS A 159 131.055 -7.069 10.868 1.00 0.00 C ATOM 2008 C CYS A 159 131.915 -8.290 11.228 1.00 0.00 C ATOM 2009 O CYS A 159 131.585 -9.411 10.890 1.00 0.00 O ATOM 2010 CB CYS A 159 129.948 -6.853 11.909 1.00 0.00 C ATOM 2011 SG CYS A 159 128.884 -8.319 12.004 1.00 0.00 S ATOM 0 H CYS A 159 129.984 -8.237 9.430 1.00 0.00 H new ATOM 0 HA CYS A 159 131.731 -6.216 10.819 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.390 -6.652 12.885 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.353 -5.979 11.642 1.00 0.00 H new ATOM 0 HG CYS A 159 129.549 -9.364 11.609 1.00 0.00 H new ATOM 2017 N THR A 160 133.007 -8.076 11.918 1.00 0.00 N ATOM 2018 CA THR A 160 133.888 -9.217 12.313 1.00 0.00 C ATOM 2019 C THR A 160 133.431 -9.783 13.660 1.00 0.00 C ATOM 2020 O THR A 160 133.246 -10.975 13.815 1.00 0.00 O ATOM 2021 CB THR A 160 135.290 -8.614 12.430 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.617 -7.943 11.221 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.306 -9.726 12.692 1.00 0.00 C ATOM 0 H THR A 160 133.327 -7.158 12.226 1.00 0.00 H new ATOM 0 HA THR A 160 133.859 -10.036 11.594 1.00 0.00 H new ATOM 0 HB THR A 160 135.313 -7.904 13.257 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.514 -7.555 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.304 -9.295 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 160 136.054 -10.238 13.620 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.286 -10.439 11.868 1.00 0.00 H new ATOM 2031 N ARG A 161 133.242 -8.926 14.628 1.00 0.00 N ATOM 2032 CA ARG A 161 132.787 -9.385 15.978 1.00 0.00 C ATOM 2033 C ARG A 161 131.451 -8.726 16.309 1.00 0.00 C ATOM 2034 O ARG A 161 131.157 -8.422 17.450 1.00 0.00 O ATOM 2035 CB ARG A 161 133.863 -8.904 16.950 1.00 0.00 C ATOM 2036 CG ARG A 161 135.224 -9.456 16.529 1.00 0.00 C ATOM 2037 CD ARG A 161 136.172 -9.428 17.726 1.00 0.00 C ATOM 2038 NE ARG A 161 136.192 -10.832 18.239 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.427 -11.093 19.510 1.00 0.00 C ATOM 2040 NH1 ARG A 161 136.847 -10.162 20.336 1.00 0.00 N ATOM 2041 NH2 ARG A 161 136.242 -12.305 19.957 1.00 0.00 N ATOM 0 H ARG A 161 133.384 -7.920 14.543 1.00 0.00 H new ATOM 0 HA ARG A 161 132.651 -10.465 16.028 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.891 -7.814 16.966 1.00 0.00 H new ATOM 0 HB3 ARG A 161 133.625 -9.231 17.962 1.00 0.00 H new ATOM 0 HG2 ARG A 161 135.117 -10.476 16.159 1.00 0.00 H new ATOM 0 HG3 ARG A 161 135.633 -8.862 15.712 1.00 0.00 H new ATOM 0 HD2 ARG A 161 137.169 -9.102 17.432 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.822 -8.734 18.490 1.00 0.00 H new ATOM 0 HE ARG A 161 136.021 -11.603 17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 161 136.999 -9.211 19.999 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.021 -10.390 21.315 1.00 0.00 H new ATOM 0 HH21 ARG A 161 135.919 -13.038 19.325 1.00 0.00 H new ATOM 0 HH22 ARG A 161 136.420 -12.519 20.938 1.00 0.00 H new ATOM 2055 N GLY A 162 130.660 -8.479 15.305 1.00 0.00 N ATOM 2056 CA GLY A 162 129.346 -7.806 15.517 1.00 0.00 C ATOM 2057 C GLY A 162 129.492 -6.304 15.220 1.00 0.00 C ATOM 2058 O GLY A 162 128.510 -5.594 15.109 1.00 0.00 O ATOM 0 H GLY A 162 130.868 -8.716 14.335 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.590 -8.245 14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.009 -7.955 16.543 1.00 0.00 H new ATOM 2062 N VAL A 163 130.709 -5.817 15.075 1.00 0.00 N ATOM 2063 CA VAL A 163 130.908 -4.370 14.768 1.00 0.00 C ATOM 2064 C VAL A 163 130.876 -4.172 13.251 1.00 0.00 C ATOM 2065 O VAL A 163 131.642 -4.775 12.525 1.00 0.00 O ATOM 2066 CB VAL A 163 132.291 -4.025 15.332 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.600 -2.549 15.070 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.306 -4.282 16.843 1.00 0.00 C ATOM 0 H VAL A 163 131.566 -6.363 15.157 1.00 0.00 H new ATOM 0 HA VAL A 163 130.135 -3.734 15.200 1.00 0.00 H new ATOM 0 HB VAL A 163 133.043 -4.647 14.846 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.584 -2.306 15.472 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.590 -2.360 13.997 1.00 0.00 H new ATOM 0 HG13 VAL A 163 131.847 -1.928 15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.289 -4.037 17.244 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.552 -3.660 17.325 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.087 -5.332 17.036 1.00 0.00 H new ATOM 2078 N ALA A 164 129.987 -3.342 12.769 1.00 0.00 N ATOM 2079 CA ALA A 164 129.891 -3.115 11.296 1.00 0.00 C ATOM 2080 C ALA A 164 130.844 -2.003 10.855 1.00 0.00 C ATOM 2081 O ALA A 164 130.669 -0.849 11.196 1.00 0.00 O ATOM 2082 CB ALA A 164 128.439 -2.702 11.056 1.00 0.00 C ATOM 0 H ALA A 164 129.323 -2.811 13.333 1.00 0.00 H new ATOM 0 HA ALA A 164 130.167 -4.003 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.285 -2.516 9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.774 -3.501 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.221 -1.794 11.619 1.00 0.00 H new ATOM 2088 N LYS A 165 131.847 -2.348 10.088 1.00 0.00 N ATOM 2089 CA LYS A 165 132.818 -1.324 9.602 1.00 0.00 C ATOM 2090 C LYS A 165 132.621 -1.098 8.101 1.00 0.00 C ATOM 2091 O LYS A 165 132.852 -0.018 7.590 1.00 0.00 O ATOM 2092 CB LYS A 165 134.200 -1.917 9.881 1.00 0.00 C ATOM 2093 CG LYS A 165 134.366 -2.148 11.384 1.00 0.00 C ATOM 2094 CD LYS A 165 135.802 -2.590 11.679 1.00 0.00 C ATOM 2095 CE LYS A 165 135.920 -3.014 13.149 1.00 0.00 C ATOM 2096 NZ LYS A 165 136.630 -4.323 13.116 1.00 0.00 N ATOM 0 H LYS A 165 132.035 -3.301 9.776 1.00 0.00 H new ATOM 0 HA LYS A 165 132.689 -0.360 10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.318 -2.858 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 165 134.976 -1.243 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.137 -1.233 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.663 -2.908 11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.079 -3.419 11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.494 -1.775 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.476 -2.278 13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 165 134.938 -3.109 13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 136.749 -4.678 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 136.074 -5.006 12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.564 -4.200 12.676 1.00 0.00 H new ATOM 2110 N ALA A 166 132.191 -2.114 7.396 1.00 0.00 N ATOM 2111 CA ALA A 166 131.966 -1.977 5.926 1.00 0.00 C ATOM 2112 C ALA A 166 130.481 -2.182 5.610 1.00 0.00 C ATOM 2113 O ALA A 166 129.718 -2.616 6.453 1.00 0.00 O ATOM 2114 CB ALA A 166 132.816 -3.077 5.285 1.00 0.00 C ATOM 0 H ALA A 166 131.985 -3.037 7.778 1.00 0.00 H new ATOM 0 HA ALA A 166 132.241 -0.991 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.702 -3.040 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.864 -2.926 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.488 -4.050 5.651 1.00 0.00 H new ATOM 2120 N VAL A 167 130.067 -1.868 4.408 1.00 0.00 N ATOM 2121 CA VAL A 167 128.626 -2.039 4.045 1.00 0.00 C ATOM 2122 C VAL A 167 128.468 -2.375 2.557 1.00 0.00 C ATOM 2123 O VAL A 167 129.091 -1.774 1.703 1.00 0.00 O ATOM 2124 CB VAL A 167 127.965 -0.690 4.362 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.082 -0.403 5.860 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.654 0.431 3.576 1.00 0.00 C ATOM 0 H VAL A 167 130.662 -1.502 3.665 1.00 0.00 H new ATOM 0 HA VAL A 167 128.170 -2.860 4.598 1.00 0.00 H new ATOM 0 HB VAL A 167 126.914 -0.734 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.613 0.555 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.583 -1.192 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.134 -0.367 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.178 1.384 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.707 0.475 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.567 0.233 2.508 1.00 0.00 H new ATOM 2136 N ASP A 168 127.627 -3.329 2.250 1.00 0.00 N ATOM 2137 CA ASP A 168 127.399 -3.718 0.823 1.00 0.00 C ATOM 2138 C ASP A 168 125.999 -3.278 0.380 1.00 0.00 C ATOM 2139 O ASP A 168 125.028 -3.479 1.086 1.00 0.00 O ATOM 2140 CB ASP A 168 127.505 -5.246 0.809 1.00 0.00 C ATOM 2141 CG ASP A 168 128.842 -5.672 0.200 1.00 0.00 C ATOM 2142 OD1 ASP A 168 128.967 -5.605 -1.011 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.717 -6.058 0.957 1.00 0.00 O ATOM 0 H ASP A 168 127.084 -3.860 2.931 1.00 0.00 H new ATOM 0 HA ASP A 168 128.114 -3.252 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 168 127.418 -5.634 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.682 -5.671 0.234 1.00 0.00 H new ATOM 2148 N PHE A 169 125.887 -2.684 -0.783 1.00 0.00 N ATOM 2149 CA PHE A 169 124.548 -2.233 -1.274 1.00 0.00 C ATOM 2150 C PHE A 169 124.326 -2.694 -2.720 1.00 0.00 C ATOM 2151 O PHE A 169 125.262 -3.006 -3.431 1.00 0.00 O ATOM 2152 CB PHE A 169 124.576 -0.701 -1.185 1.00 0.00 C ATOM 2153 CG PHE A 169 125.700 -0.149 -2.033 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.478 0.145 -3.383 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.962 0.069 -1.467 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.517 0.659 -4.168 1.00 0.00 C ATOM 2157 CE2 PHE A 169 128.002 0.583 -2.252 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.779 0.878 -3.603 1.00 0.00 C ATOM 0 H PHE A 169 126.665 -2.492 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 169 123.733 -2.653 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.623 -0.292 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.708 -0.392 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.505 -0.025 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 169 127.134 -0.159 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.345 0.887 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.975 0.752 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.581 1.274 -4.209 1.00 0.00 H new ATOM 2168 N VAL A 170 123.091 -2.740 -3.153 1.00 0.00 N ATOM 2169 CA VAL A 170 122.794 -3.181 -4.551 1.00 0.00 C ATOM 2170 C VAL A 170 122.734 -1.964 -5.491 1.00 0.00 C ATOM 2171 O VAL A 170 122.213 -0.931 -5.118 1.00 0.00 O ATOM 2172 CB VAL A 170 121.424 -3.865 -4.473 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.029 -4.386 -5.857 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.486 -5.041 -3.494 1.00 0.00 C ATOM 0 H VAL A 170 122.273 -2.490 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 170 123.561 -3.849 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 170 120.685 -3.141 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.055 -4.872 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.978 -3.553 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 170 121.773 -5.105 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.510 -5.523 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.229 -5.761 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.763 -4.677 -2.505 1.00 0.00 H new ATOM 2184 N PRO A 171 123.265 -2.112 -6.690 1.00 0.00 N ATOM 2185 CA PRO A 171 123.246 -0.989 -7.660 1.00 0.00 C ATOM 2186 C PRO A 171 121.840 -0.817 -8.249 1.00 0.00 C ATOM 2187 O PRO A 171 121.011 -1.702 -8.165 1.00 0.00 O ATOM 2188 CB PRO A 171 124.239 -1.421 -8.734 1.00 0.00 C ATOM 2189 CG PRO A 171 124.275 -2.914 -8.661 1.00 0.00 C ATOM 2190 CD PRO A 171 123.919 -3.307 -7.249 1.00 0.00 C ATOM 0 HA PRO A 171 123.507 -0.031 -7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.923 -1.083 -9.721 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.225 -0.994 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.571 -3.350 -9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.265 -3.287 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.252 -4.169 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.806 -3.579 -6.677 1.00 0.00 H new ATOM 2198 N VAL A 172 121.570 0.321 -8.837 1.00 0.00 N ATOM 2199 CA VAL A 172 120.218 0.567 -9.429 1.00 0.00 C ATOM 2200 C VAL A 172 120.107 -0.112 -10.800 1.00 0.00 C ATOM 2201 O VAL A 172 119.039 -0.522 -11.214 1.00 0.00 O ATOM 2202 CB VAL A 172 120.115 2.092 -9.566 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.769 2.470 -10.194 1.00 0.00 C ATOM 2204 CG2 VAL A 172 120.228 2.738 -8.181 1.00 0.00 C ATOM 0 H VAL A 172 122.229 1.093 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 172 119.416 0.161 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 172 120.923 2.449 -10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.703 3.554 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.687 2.014 -11.181 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.958 2.111 -9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 172 120.155 3.821 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.422 2.375 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 172 121.188 2.477 -7.735 1.00 0.00 H new ATOM 2214 N GLU A 173 121.202 -0.226 -11.505 1.00 0.00 N ATOM 2215 CA GLU A 173 121.170 -0.871 -12.857 1.00 0.00 C ATOM 2216 C GLU A 173 120.675 -2.316 -12.753 1.00 0.00 C ATOM 2217 O GLU A 173 119.943 -2.792 -13.600 1.00 0.00 O ATOM 2218 CB GLU A 173 122.617 -0.849 -13.349 1.00 0.00 C ATOM 2219 CG GLU A 173 122.639 -0.877 -14.879 1.00 0.00 C ATOM 2220 CD GLU A 173 122.520 -2.323 -15.368 1.00 0.00 C ATOM 2221 OE1 GLU A 173 121.952 -2.522 -16.430 1.00 0.00 O ATOM 2222 OE2 GLU A 173 123.000 -3.206 -14.676 1.00 0.00 O ATOM 0 H GLU A 173 122.121 0.100 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 173 120.495 -0.349 -13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.122 0.045 -12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.160 -1.706 -12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 173 121.818 -0.280 -15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 173 123.564 -0.433 -15.248 1.00 0.00 H new ATOM 2229 N SER A 174 121.083 -3.019 -11.729 1.00 0.00 N ATOM 2230 CA SER A 174 120.655 -4.443 -11.572 1.00 0.00 C ATOM 2231 C SER A 174 119.132 -4.543 -11.430 1.00 0.00 C ATOM 2232 O SER A 174 118.541 -5.559 -11.745 1.00 0.00 O ATOM 2233 CB SER A 174 121.341 -4.932 -10.295 1.00 0.00 C ATOM 2234 OG SER A 174 120.704 -4.346 -9.166 1.00 0.00 O ATOM 0 H SER A 174 121.696 -2.669 -10.992 1.00 0.00 H new ATOM 0 HA SER A 174 120.928 -5.042 -12.440 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.288 -6.019 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 174 122.398 -4.664 -10.311 1.00 0.00 H new ATOM 0 HG SER A 174 121.007 -3.420 -9.064 1.00 0.00 H new ATOM 2240 N MET A 175 118.495 -3.502 -10.955 1.00 0.00 N ATOM 2241 CA MET A 175 117.007 -3.542 -10.788 1.00 0.00 C ATOM 2242 C MET A 175 116.315 -3.613 -12.152 1.00 0.00 C ATOM 2243 O MET A 175 115.307 -4.276 -12.310 1.00 0.00 O ATOM 2244 CB MET A 175 116.644 -2.244 -10.068 1.00 0.00 C ATOM 2245 CG MET A 175 117.187 -2.288 -8.637 1.00 0.00 C ATOM 2246 SD MET A 175 116.223 -1.171 -7.588 1.00 0.00 S ATOM 2247 CE MET A 175 116.726 0.375 -8.381 1.00 0.00 C ATOM 0 H MET A 175 118.939 -2.627 -10.676 1.00 0.00 H new ATOM 0 HA MET A 175 116.686 -4.419 -10.226 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.062 -1.390 -10.601 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.562 -2.113 -10.054 1.00 0.00 H new ATOM 0 HG2 MET A 175 117.134 -3.305 -8.248 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.237 -1.997 -8.627 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.386 0.929 -7.713 1.00 0.00 H new ATOM 0 HE2 MET A 175 117.252 0.153 -9.309 1.00 0.00 H new ATOM 0 HE3 MET A 175 115.843 0.976 -8.599 1.00 0.00 H new ATOM 2257 N GLU A 176 116.847 -2.933 -13.136 1.00 0.00 N ATOM 2258 CA GLU A 176 116.220 -2.954 -14.495 1.00 0.00 C ATOM 2259 C GLU A 176 116.178 -4.385 -15.042 1.00 0.00 C ATOM 2260 O GLU A 176 115.211 -4.795 -15.656 1.00 0.00 O ATOM 2261 CB GLU A 176 117.121 -2.075 -15.367 1.00 0.00 C ATOM 2262 CG GLU A 176 116.995 -0.614 -14.928 1.00 0.00 C ATOM 2263 CD GLU A 176 115.588 -0.106 -15.243 1.00 0.00 C ATOM 2264 OE1 GLU A 176 114.900 0.291 -14.318 1.00 0.00 O ATOM 2265 OE2 GLU A 176 115.221 -0.123 -16.408 1.00 0.00 O ATOM 0 H GLU A 176 117.689 -2.363 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 176 115.192 -2.591 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.157 -2.402 -15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 176 116.840 -2.176 -16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.194 -0.526 -13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 176 117.737 -0.003 -15.442 1.00 0.00 H new ATOM 2272 N THR A 177 117.222 -5.143 -14.824 1.00 0.00 N ATOM 2273 CA THR A 177 117.254 -6.552 -15.330 1.00 0.00 C ATOM 2274 C THR A 177 116.118 -7.372 -14.708 1.00 0.00 C ATOM 2275 O THR A 177 115.595 -8.284 -15.318 1.00 0.00 O ATOM 2276 CB THR A 177 118.613 -7.106 -14.894 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.640 -6.229 -15.334 1.00 0.00 O ATOM 2278 CG2 THR A 177 118.826 -8.491 -15.508 1.00 0.00 C ATOM 0 H THR A 177 118.056 -4.848 -14.317 1.00 0.00 H new ATOM 0 HA THR A 177 117.122 -6.598 -16.411 1.00 0.00 H new ATOM 0 HB THR A 177 118.641 -7.187 -13.807 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.512 -6.580 -15.055 1.00 0.00 H new ATOM 0 HG21 THR A 177 119.794 -8.882 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.037 -9.163 -15.171 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.799 -8.415 -16.595 1.00 0.00 H new ATOM 2286 N THR A 178 115.742 -7.056 -13.495 1.00 0.00 N ATOM 2287 CA THR A 178 114.643 -7.818 -12.820 1.00 0.00 C ATOM 2288 C THR A 178 113.344 -7.713 -13.627 1.00 0.00 C ATOM 2289 O THR A 178 112.609 -8.674 -13.759 1.00 0.00 O ATOM 2290 CB THR A 178 114.481 -7.157 -11.447 1.00 0.00 C ATOM 2291 OG1 THR A 178 115.706 -7.253 -10.737 1.00 0.00 O ATOM 2292 CG2 THR A 178 113.380 -7.866 -10.653 1.00 0.00 C ATOM 0 H THR A 178 116.148 -6.302 -12.940 1.00 0.00 H new ATOM 0 HA THR A 178 114.874 -8.880 -12.735 1.00 0.00 H new ATOM 0 HB THR A 178 114.209 -6.110 -11.581 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.419 -7.529 -11.350 1.00 0.00 H new ATOM 0 HG21 THR A 178 113.271 -7.391 -9.678 1.00 0.00 H new ATOM 0 HG22 THR A 178 112.438 -7.799 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 178 113.647 -8.914 -10.518 1.00 0.00 H new ATOM 2300 N MET A 179 113.056 -6.553 -14.165 1.00 0.00 N ATOM 2301 CA MET A 179 111.801 -6.382 -14.964 1.00 0.00 C ATOM 2302 C MET A 179 111.783 -7.355 -16.146 1.00 0.00 C ATOM 2303 O MET A 179 110.748 -7.878 -16.515 1.00 0.00 O ATOM 2304 CB MET A 179 111.834 -4.936 -15.465 1.00 0.00 C ATOM 2305 CG MET A 179 110.404 -4.407 -15.594 1.00 0.00 C ATOM 2306 SD MET A 179 110.409 -2.882 -16.569 1.00 0.00 S ATOM 2307 CE MET A 179 109.617 -3.556 -18.049 1.00 0.00 C ATOM 0 H MET A 179 113.635 -5.717 -14.086 1.00 0.00 H new ATOM 0 HA MET A 179 110.910 -6.587 -14.370 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.402 -4.313 -14.774 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.340 -4.886 -16.429 1.00 0.00 H new ATOM 0 HG2 MET A 179 109.770 -5.154 -16.072 1.00 0.00 H new ATOM 0 HG3 MET A 179 109.985 -4.218 -14.606 1.00 0.00 H new ATOM 0 HE1 MET A 179 109.518 -2.771 -18.798 1.00 0.00 H new ATOM 0 HE2 MET A 179 110.226 -4.366 -18.451 1.00 0.00 H new ATOM 0 HE3 MET A 179 108.629 -3.938 -17.791 1.00 0.00 H new ATOM 2317 N ARG A 180 112.924 -7.604 -16.740 1.00 0.00 N ATOM 2318 CA ARG A 180 112.983 -8.548 -17.899 1.00 0.00 C ATOM 2319 C ARG A 180 112.493 -9.937 -17.476 1.00 0.00 C ATOM 2320 O ARG A 180 111.796 -10.610 -18.213 1.00 0.00 O ATOM 2321 CB ARG A 180 114.458 -8.603 -18.305 1.00 0.00 C ATOM 2322 CG ARG A 180 114.575 -9.154 -19.729 1.00 0.00 C ATOM 2323 CD ARG A 180 115.878 -9.947 -19.870 1.00 0.00 C ATOM 2324 NE ARG A 180 115.470 -11.377 -19.787 1.00 0.00 N ATOM 2325 CZ ARG A 180 116.222 -12.237 -19.155 1.00 0.00 C ATOM 2326 NH1 ARG A 180 115.795 -12.791 -18.052 1.00 0.00 N ATOM 2327 NH2 ARG A 180 117.400 -12.545 -19.625 1.00 0.00 N ATOM 0 H ARG A 180 113.818 -7.194 -16.472 1.00 0.00 H new ATOM 0 HA ARG A 180 112.349 -8.221 -18.723 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.898 -7.607 -18.252 1.00 0.00 H new ATOM 0 HB3 ARG A 180 115.014 -9.235 -17.612 1.00 0.00 H new ATOM 0 HG2 ARG A 180 113.722 -9.795 -19.953 1.00 0.00 H new ATOM 0 HG3 ARG A 180 114.556 -8.336 -20.449 1.00 0.00 H new ATOM 0 HD2 ARG A 180 116.370 -9.732 -20.818 1.00 0.00 H new ATOM 0 HD3 ARG A 180 116.583 -9.691 -19.079 1.00 0.00 H new ATOM 0 HE ARG A 180 114.602 -11.685 -20.225 1.00 0.00 H new ATOM 0 HH11 ARG A 180 114.874 -12.552 -17.684 1.00 0.00 H new ATOM 0 HH12 ARG A 180 116.382 -13.463 -17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 180 117.734 -12.114 -20.487 1.00 0.00 H new ATOM 0 HH22 ARG A 180 117.987 -13.217 -19.130 1.00 0.00 H new ATOM 2341 N ALA A 181 112.857 -10.367 -16.295 1.00 0.00 N ATOM 2342 CA ALA A 181 112.418 -11.712 -15.810 1.00 0.00 C ATOM 2343 C ALA A 181 110.973 -11.650 -15.308 1.00 0.00 C ATOM 2344 O ALA A 181 110.284 -10.666 -15.491 1.00 0.00 O ATOM 2345 CB ALA A 181 113.370 -12.051 -14.662 1.00 0.00 C ATOM 0 H ALA A 181 113.441 -9.843 -15.643 1.00 0.00 H new ATOM 0 HA ALA A 181 112.447 -12.463 -16.599 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.112 -13.027 -14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.395 -12.073 -15.033 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.283 -11.295 -13.882 1.00 0.00 H new TER 2351 ALA A 181 HETATM 2352 O1 4P2 A 201 122.475 -12.269 4.345 1.00 20.00 O HETATM 2353 C8 4P2 A 201 127.101 -10.484 6.198 1.00 20.00 C HETATM 2354 O9 4P2 A 201 128.323 -10.007 5.787 1.00 20.00 O HETATM 2355 C10 4P2 A 201 128.853 -10.459 4.496 1.00 20.00 C HETATM 2356 C11 4P2 A 201 130.387 -10.434 4.598 1.00 20.00 C HETATM 2357 C12 4P2 A 201 130.876 -9.903 3.270 1.00 20.00 C HETATM 2358 C13 4P2 A 201 129.834 -8.856 2.916 1.00 20.00 C HETATM 2359 C14 4P2 A 201 128.480 -9.476 3.340 1.00 20.00 C HETATM 2360 C15 4P2 A 201 127.776 -10.113 2.112 1.00 20.00 C HETATM 2361 C16 4P2 A 201 126.383 -10.675 2.388 1.00 20.00 C HETATM 2362 C17 4P2 A 201 125.655 -10.970 1.076 1.00 20.00 C HETATM 2363 C18 4P2 A 201 124.297 -11.656 1.266 1.00 20.00 C HETATM 2364 C19 4P2 A 201 123.243 -10.776 1.957 1.00 20.00 C HETATM 2365 C20 4P2 A 201 121.949 -11.554 2.098 1.00 20.00 C HETATM 2366 N21 4P2 A 201 121.182 -11.562 0.910 1.00 20.00 N HETATM 2367 C22 4P2 A 201 120.083 -12.394 0.779 1.00 20.00 C HETATM 2368 C23 4P2 A 201 119.312 -12.390 -0.443 1.00 20.00 C HETATM 2369 C24 4P2 A 201 118.148 -13.251 -0.611 1.00 20.00 C HETATM 2370 C25 4P2 A 201 117.738 -14.147 0.457 1.00 20.00 C HETATM 2371 C26 4P2 A 201 118.492 -14.183 1.714 1.00 20.00 C HETATM 2372 C27 4P2 A 201 119.668 -13.312 1.892 1.00 20.00 C HETATM 2373 C28 4P2 A 201 120.474 -13.282 3.109 1.00 20.00 C HETATM 2374 C29 4P2 A 201 121.642 -12.394 3.243 1.00 20.00 C HETATM 2375 O38 4P2 A 201 126.379 -11.277 5.595 1.00 20.00 O HETATM 2376 C5 4P2 A 201 124.320 -9.602 7.334 1.00 20.00 C HETATM 2377 C6 4P2 A 201 125.488 -10.325 8.106 1.00 20.00 C HETATM 2378 N7 4P2 A 201 126.756 -9.953 7.432 1.00 20.00 N HETATM 2379 O32 4P2 A 201 124.337 -8.395 7.260 1.00 20.00 O HETATM 2380 C33 4P2 A 201 125.471 -9.852 9.604 1.00 20.00 C HETATM 2381 C34 4P2 A 201 126.594 -10.466 10.454 1.00 20.00 C HETATM 2382 C35 4P2 A 201 126.114 -10.398 11.905 1.00 20.00 C HETATM 2383 C36 4P2 A 201 124.609 -10.203 11.867 1.00 20.00 C HETATM 2384 C37 4P2 A 201 124.209 -10.278 10.406 1.00 20.00 C HETATM 2385 N4 4P2 A 201 123.240 -10.322 6.801 1.00 20.00 N HETATM 2386 C31 4P2 A 201 122.084 -9.626 6.158 1.00 20.00 C HETATM 2387 C39 4P2 A 201 121.427 -8.631 7.180 1.00 20.00 C HETATM 2388 O40 4P2 A 201 121.470 -8.860 8.397 1.00 20.00 O HETATM 2389 C30 4P2 A 201 121.110 -10.767 5.785 1.00 20.00 C HETATM 2390 C2 4P2 A 201 121.973 -12.047 5.690 1.00 20.00 C HETATM 2391 C3 4P2 A 201 123.202 -11.758 6.571 1.00 20.00 C HETATM 2392 N41 4P2 A 201 120.846 -7.450 6.667 1.00 20.00 N HETATM 2393 C42 4P2 A 201 120.271 -6.426 7.578 1.00 20.00 C HETATM 2394 C43 4P2 A 201 121.364 -5.598 8.353 1.00 20.00 C HETATM 2395 C44 4P2 A 201 120.599 -4.967 7.237 1.00 20.00 C HETATM 2396 C47 4P2 A 201 121.155 -5.162 9.739 1.00 20.00 C HETATM 2397 C48 4P2 A 201 122.122 -5.014 10.638 1.00 20.00 C HETATM 2398 C45 4P2 A 201 118.857 -6.691 8.183 1.00 20.00 C HETATM 2399 O46 4P2 A 201 118.539 -6.222 9.272 1.00 20.00 O HETATM 2400 N49 4P2 A 201 117.996 -7.471 7.415 1.00 20.00 N HETATM 2401 S 4P2 A 201 116.458 -7.852 7.859 1.00 20.00 S HETATM 2402 O51 4P2 A 201 116.072 -9.005 7.077 1.00 20.00 O HETATM 2403 O52 4P2 A 201 116.371 -7.870 9.301 1.00 20.00 O HETATM 2404 C53 4P2 A 201 115.422 -6.501 7.233 1.00 20.00 C HETATM 2405 C54 4P2 A 201 114.317 -6.064 8.162 1.00 20.00 C HETATM 2406 C55 4P2 A 201 115.544 -5.209 7.972 1.00 20.00 C HETATM 2459 ZN ZN A 202 125.127 12.208 -7.296 1.00 20.00 ZN