USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 160:sc= 1.81 (180deg=-0.258!) USER MOD Set 1.2: A 98 SER OG : rot 51:sc= 1.85 USER MOD Set 2.1: A 30 THR OG1 : rot 103:sc= 1.26 USER MOD Set 2.2: A 91 SER OG : rot -27:sc= 1.49 USER MOD Set 3.1: A 79 THR OG1 : rot 172:sc= 2.13 USER MOD Set 3.2: A 83 LYS NZ :NH3+ 172:sc= 2.18 (180deg=0.718) USER MOD Set 4.1: A 53 LYS NZ :NH3+ 169:sc= 1.79 (180deg=0.636) USER MOD Set 4.2: A 54 SER OG : rot -90:sc= 1.57 USER MOD Set 4.3: A 69 TYR OH : rot -179:sc= 1.08 USER MOD Set 5.1: A 39 SER OG : rot 83:sc= 1.21 USER MOD Set 5.2: A 40 LYS NZ :NH3+ -157:sc= 2.46 (180deg=2.27) USER MOD Set 5.3: A 63 SER OG : rot -93:sc= 1.21 USER MOD Set 5.4: A 65 THR OG1 : rot 94:sc= 2.27 USER MOD Set 6.1: A 24 THR OG1 : rot 130:sc=-0.000374 USER MOD Set 6.2: A 32 LYS NZ :NH3+ -137:sc= 2.3 (180deg=0) USER MOD Set 6.3: A 33 SER OG : rot 106:sc= 2.13 USER MOD Set 6.4: A 36 GLN : amide:sc= 1.07 K(o=5.5,f=-8.2!) USER MOD Set 7.1: A 5 LYS NZ :NH3+ -161:sc= -0.0799 (180deg=2.12) USER MOD Set 7.2: A 11 ASN : amide:sc= 0.116 K(o=0.036,f=1.7) USER MOD Set 8.1: A 7 GLN : amide:sc= 0.717! C(o=3.6!,f=-4!) USER MOD Set 8.2: A 71 GLN : amide:sc= 0.963 K(o=3.6,f=1.1) USER MOD Set 8.3: A 74 ASN : amide:sc= 1.94 K(o=3.6,f=-4) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -109:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= 0.889 K(o=0.89,f=-0.25) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 1.12 (180deg=-0.549!) USER MOD Single : A 20 SER OG : rot -84:sc= 0.976 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 1.1 (180deg=0.355) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 176:sc= 1.77 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 168:sc= 1.28 USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.05) USER MOD Single : A 47 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.53) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.037 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 178:sc= 1.73 USER MOD Single : A 61 MET CE :methyl 169:sc= -0.0172 (180deg=-0.196) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 2.15 (180deg=1.99) USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= 3.61 (180deg=2.13) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 2.47 K(o=2.5,f=-8.4!) USER MOD Single : A 102 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 103 THR OG1 : rot 128:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 14.728 14.534 -12.207 1.00 0.00 N ATOM 2 CA ALA A 2 14.267 14.123 -13.545 1.00 0.00 C ATOM 3 C ALA A 2 15.454 13.820 -14.464 1.00 0.00 C ATOM 4 O ALA A 2 16.253 14.722 -14.700 1.00 0.00 O ATOM 5 CB ALA A 2 13.343 15.180 -14.158 1.00 0.00 C ATOM 0 HA ALA A 2 13.690 13.205 -13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.018 14.851 -15.145 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.473 15.318 -13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.880 16.124 -14.249 1.00 0.00 H new ATOM 13 N PRO A 3 15.597 12.570 -14.940 1.00 0.00 N ATOM 14 CA PRO A 3 16.545 12.190 -15.987 1.00 0.00 C ATOM 15 C PRO A 3 16.047 12.603 -17.387 1.00 0.00 C ATOM 16 O PRO A 3 14.953 13.147 -17.539 1.00 0.00 O ATOM 17 CB PRO A 3 16.662 10.665 -15.848 1.00 0.00 C ATOM 18 CG PRO A 3 15.258 10.255 -15.415 1.00 0.00 C ATOM 19 CD PRO A 3 14.805 11.416 -14.539 1.00 0.00 C ATOM 0 HA PRO A 3 17.507 12.690 -15.878 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.949 10.194 -16.788 1.00 0.00 H new ATOM 0 HB3 PRO A 3 17.412 10.383 -15.109 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.598 10.116 -16.271 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.266 9.315 -14.863 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.741 11.611 -14.673 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.958 11.188 -13.484 1.00 0.00 H new ATOM 27 N VAL A 4 16.848 12.317 -18.423 1.00 0.00 N ATOM 28 CA VAL A 4 16.485 12.498 -19.838 1.00 0.00 C ATOM 29 C VAL A 4 15.234 11.674 -20.176 1.00 0.00 C ATOM 30 O VAL A 4 15.197 10.467 -19.920 1.00 0.00 O ATOM 31 CB VAL A 4 17.660 12.105 -20.761 1.00 0.00 C ATOM 32 CG1 VAL A 4 17.295 12.236 -22.248 1.00 0.00 C ATOM 33 CG2 VAL A 4 18.886 12.995 -20.500 1.00 0.00 C ATOM 0 H VAL A 4 17.789 11.944 -18.299 1.00 0.00 H new ATOM 0 HA VAL A 4 16.263 13.552 -20.004 1.00 0.00 H new ATOM 0 HB VAL A 4 17.887 11.063 -20.534 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.151 11.949 -22.859 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.452 11.583 -22.475 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.023 13.269 -22.466 1.00 0.00 H new ATOM 0 HG21 VAL A 4 19.699 12.698 -21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.626 14.037 -20.689 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.203 12.883 -19.463 1.00 0.00 H new ATOM 43 N LYS A 5 14.211 12.323 -20.754 1.00 0.00 N ATOM 44 CA LYS A 5 12.892 11.744 -21.048 1.00 0.00 C ATOM 45 C LYS A 5 12.874 10.784 -22.261 1.00 0.00 C ATOM 46 O LYS A 5 11.986 10.860 -23.104 1.00 0.00 O ATOM 47 CB LYS A 5 11.829 12.862 -21.143 1.00 0.00 C ATOM 48 CG LYS A 5 10.429 12.300 -20.828 1.00 0.00 C ATOM 49 CD LYS A 5 9.284 13.242 -21.213 1.00 0.00 C ATOM 50 CE LYS A 5 7.977 12.450 -21.103 1.00 0.00 C ATOM 51 NZ LYS A 5 6.788 13.296 -21.328 1.00 0.00 N ATOM 0 H LYS A 5 14.283 13.300 -21.039 1.00 0.00 H new ATOM 0 HA LYS A 5 12.635 11.098 -20.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.072 13.664 -20.445 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.837 13.296 -22.143 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.301 11.354 -21.353 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.366 12.083 -19.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.263 14.109 -20.553 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.421 13.617 -22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.985 11.638 -21.830 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.914 11.993 -20.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.947 12.824 -20.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.920 14.213 -20.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.658 13.448 -22.349 1.00 0.00 H new ATOM 65 N SER A 6 13.794 9.816 -22.333 1.00 0.00 N ATOM 66 CA SER A 6 13.765 8.737 -23.345 1.00 0.00 C ATOM 67 C SER A 6 12.436 7.958 -23.310 1.00 0.00 C ATOM 68 O SER A 6 11.860 7.593 -24.338 1.00 0.00 O ATOM 69 CB SER A 6 14.940 7.781 -23.119 1.00 0.00 C ATOM 70 OG SER A 6 16.159 8.500 -23.147 1.00 0.00 O ATOM 0 H SER A 6 14.585 9.752 -21.692 1.00 0.00 H new ATOM 0 HA SER A 6 13.852 9.198 -24.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.829 7.274 -22.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.945 7.009 -23.889 1.00 0.00 H new ATOM 0 HG SER A 6 16.906 7.883 -23.000 1.00 0.00 H new ATOM 76 N GLN A 7 11.910 7.783 -22.095 1.00 0.00 N ATOM 77 CA GLN A 7 10.578 7.313 -21.729 1.00 0.00 C ATOM 78 C GLN A 7 9.392 8.129 -22.286 1.00 0.00 C ATOM 79 O GLN A 7 8.254 7.684 -22.154 1.00 0.00 O ATOM 80 CB GLN A 7 10.472 7.172 -20.195 1.00 0.00 C ATOM 81 CG GLN A 7 10.983 8.338 -19.321 1.00 0.00 C ATOM 82 CD GLN A 7 12.505 8.398 -19.169 1.00 0.00 C ATOM 83 OE1 GLN A 7 13.252 7.572 -19.672 1.00 0.00 O ATOM 84 NE2 GLN A 7 13.044 9.402 -18.522 1.00 0.00 N ATOM 0 H GLN A 7 12.464 7.988 -21.263 1.00 0.00 H new ATOM 0 HA GLN A 7 10.481 6.343 -22.217 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.424 7.004 -19.947 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.016 6.274 -19.904 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.636 9.277 -19.752 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.535 8.257 -18.331 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.449 10.109 -18.090 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.059 9.476 -18.450 1.00 0.00 H new ATOM 93 N GLU A 8 9.613 9.263 -22.960 1.00 0.00 N ATOM 94 CA GLU A 8 8.593 9.909 -23.808 1.00 0.00 C ATOM 95 C GLU A 8 7.986 8.914 -24.808 1.00 0.00 C ATOM 96 O GLU A 8 6.772 8.871 -24.978 1.00 0.00 O ATOM 97 CB GLU A 8 9.165 11.140 -24.528 1.00 0.00 C ATOM 98 CG GLU A 8 8.094 11.911 -25.319 1.00 0.00 C ATOM 99 CD GLU A 8 7.037 12.548 -24.403 1.00 0.00 C ATOM 100 OE1 GLU A 8 7.269 13.672 -23.908 1.00 0.00 O ATOM 101 OE2 GLU A 8 6.008 11.897 -24.095 1.00 0.00 O ATOM 0 H GLU A 8 10.502 9.762 -22.936 1.00 0.00 H new ATOM 0 HA GLU A 8 7.791 10.251 -23.154 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.621 11.806 -23.795 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.957 10.824 -25.207 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.574 12.689 -25.912 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.604 11.234 -26.019 1.00 0.00 H new ATOM 108 N SER A 9 8.834 8.061 -25.383 1.00 0.00 N ATOM 109 CA SER A 9 8.489 6.877 -26.179 1.00 0.00 C ATOM 110 C SER A 9 7.283 6.094 -25.628 1.00 0.00 C ATOM 111 O SER A 9 6.252 6.007 -26.296 1.00 0.00 O ATOM 112 CB SER A 9 9.729 5.977 -26.299 1.00 0.00 C ATOM 113 OG SER A 9 10.286 5.694 -25.025 1.00 0.00 O ATOM 0 H SER A 9 9.843 8.184 -25.302 1.00 0.00 H new ATOM 0 HA SER A 9 8.179 7.222 -27.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.458 5.045 -26.795 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.476 6.465 -26.925 1.00 0.00 H new ATOM 0 HG SER A 9 11.135 6.174 -24.925 1.00 0.00 H new ATOM 119 N ILE A 10 7.395 5.535 -24.416 1.00 0.00 N ATOM 120 CA ILE A 10 6.285 4.868 -23.717 1.00 0.00 C ATOM 121 C ILE A 10 5.202 5.869 -23.290 1.00 0.00 C ATOM 122 O ILE A 10 4.031 5.620 -23.565 1.00 0.00 O ATOM 123 CB ILE A 10 6.800 3.948 -22.579 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.689 3.101 -21.911 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.683 4.646 -21.534 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.835 3.763 -20.821 1.00 0.00 C ATOM 0 H ILE A 10 8.267 5.532 -23.887 1.00 0.00 H new ATOM 0 HA ILE A 10 5.787 4.199 -24.418 1.00 0.00 H new ATOM 0 HB ILE A 10 7.458 3.254 -23.103 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.017 2.753 -22.696 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.158 2.218 -21.477 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.994 3.923 -20.780 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.564 5.063 -22.022 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.118 5.447 -21.057 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.102 3.048 -20.449 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.477 4.085 -20.001 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.319 4.628 -21.238 1.00 0.00 H new ATOM 138 N ASN A 11 5.563 6.996 -22.660 1.00 0.00 N ATOM 139 CA ASN A 11 4.632 8.001 -22.132 1.00 0.00 C ATOM 140 C ASN A 11 3.615 8.468 -23.182 1.00 0.00 C ATOM 141 O ASN A 11 2.414 8.373 -22.949 1.00 0.00 O ATOM 142 CB ASN A 11 5.435 9.188 -21.576 1.00 0.00 C ATOM 143 CG ASN A 11 4.550 10.347 -21.147 1.00 0.00 C ATOM 144 OD1 ASN A 11 3.865 10.284 -20.141 1.00 0.00 O ATOM 145 ND2 ASN A 11 4.528 11.435 -21.895 1.00 0.00 N ATOM 0 H ASN A 11 6.540 7.240 -22.499 1.00 0.00 H new ATOM 0 HA ASN A 11 4.053 7.541 -21.332 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.027 8.854 -20.724 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.137 9.534 -22.335 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.937 12.224 -21.631 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.102 11.487 -22.737 1.00 0.00 H new ATOM 152 N GLN A 12 4.079 8.975 -24.327 1.00 0.00 N ATOM 153 CA GLN A 12 3.222 9.557 -25.356 1.00 0.00 C ATOM 154 C GLN A 12 2.296 8.499 -25.972 1.00 0.00 C ATOM 155 O GLN A 12 1.110 8.754 -26.185 1.00 0.00 O ATOM 156 CB GLN A 12 4.112 10.212 -26.429 1.00 0.00 C ATOM 157 CG GLN A 12 3.409 11.354 -27.172 1.00 0.00 C ATOM 158 CD GLN A 12 2.985 12.520 -26.271 1.00 0.00 C ATOM 159 OE1 GLN A 12 1.948 13.127 -26.479 1.00 0.00 O ATOM 160 NE2 GLN A 12 3.739 12.892 -25.251 1.00 0.00 N ATOM 0 H GLN A 12 5.071 8.992 -24.566 1.00 0.00 H new ATOM 0 HA GLN A 12 2.580 10.315 -24.906 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.018 10.595 -25.958 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.422 9.454 -27.148 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.074 11.732 -27.948 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.527 10.957 -27.674 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.611 12.401 -25.056 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.449 13.670 -24.659 1.00 0.00 H new ATOM 169 N LYS A 13 2.824 7.289 -26.204 1.00 0.00 N ATOM 170 CA LYS A 13 2.078 6.121 -26.676 1.00 0.00 C ATOM 171 C LYS A 13 1.011 5.689 -25.658 1.00 0.00 C ATOM 172 O LYS A 13 -0.131 5.432 -26.036 1.00 0.00 O ATOM 173 CB LYS A 13 3.104 5.022 -26.995 1.00 0.00 C ATOM 174 CG LYS A 13 2.554 3.841 -27.806 1.00 0.00 C ATOM 175 CD LYS A 13 3.732 2.949 -28.239 1.00 0.00 C ATOM 176 CE LYS A 13 3.307 1.626 -28.884 1.00 0.00 C ATOM 177 NZ LYS A 13 2.514 1.813 -30.117 1.00 0.00 N ATOM 0 H LYS A 13 3.815 7.093 -26.063 1.00 0.00 H new ATOM 0 HA LYS A 13 1.516 6.352 -27.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.933 5.467 -27.545 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.511 4.642 -26.058 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.846 3.268 -27.207 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.012 4.202 -28.680 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.353 3.502 -28.944 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.351 2.734 -27.368 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.196 1.039 -29.116 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.723 1.050 -28.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.542 0.941 -30.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.529 2.032 -29.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.913 2.598 -30.670 1.00 0.00 H new ATOM 191 N LEU A 14 1.354 5.666 -24.364 1.00 0.00 N ATOM 192 CA LEU A 14 0.424 5.373 -23.273 1.00 0.00 C ATOM 193 C LEU A 14 -0.628 6.479 -23.105 1.00 0.00 C ATOM 194 O LEU A 14 -1.789 6.164 -22.864 1.00 0.00 O ATOM 195 CB LEU A 14 1.216 5.093 -21.986 1.00 0.00 C ATOM 196 CG LEU A 14 0.348 4.430 -20.895 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.156 3.383 -20.130 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.186 5.447 -19.888 1.00 0.00 C ATOM 0 H LEU A 14 2.304 5.854 -24.043 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.143 4.475 -23.518 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.062 4.446 -22.217 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.625 6.028 -21.603 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.493 3.965 -21.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.528 2.926 -19.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.503 2.615 -20.821 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.014 3.860 -19.657 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.791 4.935 -19.140 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.649 5.948 -19.399 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.798 6.185 -20.406 1.00 0.00 H new ATOM 210 N ALA A 15 -0.269 7.757 -23.286 1.00 0.00 N ATOM 211 CA ALA A 15 -1.220 8.868 -23.313 1.00 0.00 C ATOM 212 C ALA A 15 -2.194 8.750 -24.494 1.00 0.00 C ATOM 213 O ALA A 15 -3.401 8.883 -24.307 1.00 0.00 O ATOM 214 CB ALA A 15 -0.471 10.201 -23.366 1.00 0.00 C ATOM 0 H ALA A 15 0.700 8.048 -23.419 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.809 8.827 -22.397 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.189 11.021 -23.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.165 10.296 -22.486 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.145 10.237 -24.264 1.00 0.00 H new ATOM 220 N LEU A 16 -1.683 8.458 -25.699 1.00 0.00 N ATOM 221 CA LEU A 16 -2.483 8.168 -26.891 1.00 0.00 C ATOM 222 C LEU A 16 -3.453 7.003 -26.649 1.00 0.00 C ATOM 223 O LEU A 16 -4.605 7.087 -27.067 1.00 0.00 O ATOM 224 CB LEU A 16 -1.524 7.951 -28.076 1.00 0.00 C ATOM 225 CG LEU A 16 -2.199 7.676 -29.436 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.250 8.088 -30.566 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.489 6.189 -29.653 1.00 0.00 C ATOM 0 H LEU A 16 -0.679 8.417 -25.872 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.129 9.012 -27.134 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.892 8.834 -28.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.867 7.114 -27.840 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.132 8.240 -29.438 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.724 7.895 -31.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.022 9.151 -30.481 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.327 7.512 -30.494 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.964 6.049 -30.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.555 5.628 -29.621 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.155 5.830 -28.868 1.00 0.00 H new ATOM 239 N VAL A 17 -3.023 5.955 -25.930 1.00 0.00 N ATOM 240 CA VAL A 17 -3.917 4.924 -25.388 1.00 0.00 C ATOM 241 C VAL A 17 -4.951 5.525 -24.429 1.00 0.00 C ATOM 242 O VAL A 17 -6.137 5.467 -24.734 1.00 0.00 O ATOM 243 CB VAL A 17 -3.120 3.741 -24.801 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.954 2.835 -23.890 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.577 2.898 -25.961 1.00 0.00 C ATOM 0 H VAL A 17 -2.040 5.799 -25.708 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.498 4.503 -26.208 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.323 4.163 -24.189 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.330 2.025 -23.513 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.339 3.417 -23.052 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.787 2.418 -24.456 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.010 2.056 -25.564 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.408 2.526 -26.560 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.927 3.512 -26.584 1.00 0.00 H new ATOM 255 N ILE A 18 -4.536 6.126 -23.308 1.00 0.00 N ATOM 256 CA ILE A 18 -5.403 6.741 -22.284 1.00 0.00 C ATOM 257 C ILE A 18 -6.450 7.714 -22.867 1.00 0.00 C ATOM 258 O ILE A 18 -7.567 7.785 -22.359 1.00 0.00 O ATOM 259 CB ILE A 18 -4.515 7.355 -21.170 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.018 6.205 -20.259 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.282 8.414 -20.375 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.329 6.635 -18.958 1.00 0.00 C ATOM 0 H ILE A 18 -3.546 6.203 -23.075 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.018 5.963 -21.833 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.658 7.863 -21.613 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.870 5.574 -20.006 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.323 5.589 -20.830 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.635 8.827 -19.601 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.601 9.212 -21.045 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.157 7.958 -19.911 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.022 5.751 -18.399 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.452 7.238 -19.193 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.022 7.222 -18.356 1.00 0.00 H new ATOM 274 N LYS A 19 -6.127 8.414 -23.962 1.00 0.00 N ATOM 275 CA LYS A 19 -7.025 9.288 -24.726 1.00 0.00 C ATOM 276 C LYS A 19 -8.308 8.594 -25.236 1.00 0.00 C ATOM 277 O LYS A 19 -9.272 9.303 -25.517 1.00 0.00 O ATOM 278 CB LYS A 19 -6.170 9.980 -25.810 1.00 0.00 C ATOM 279 CG LYS A 19 -6.887 10.826 -26.879 1.00 0.00 C ATOM 280 CD LYS A 19 -7.360 10.040 -28.115 1.00 0.00 C ATOM 281 CE LYS A 19 -6.192 9.436 -28.906 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.687 8.576 -29.999 1.00 0.00 N ATOM 0 H LYS A 19 -5.187 8.385 -24.358 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.453 10.049 -24.073 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.451 10.624 -25.304 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.599 9.208 -26.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.750 11.309 -26.421 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.214 11.619 -27.206 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.033 9.242 -27.800 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.933 10.701 -28.766 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.574 10.234 -29.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.557 8.854 -28.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.918 7.961 -30.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.473 7.990 -29.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.020 9.170 -30.785 1.00 0.00 H new ATOM 296 N SER A 20 -8.380 7.254 -25.300 1.00 0.00 N ATOM 297 CA SER A 20 -9.674 6.547 -25.430 1.00 0.00 C ATOM 298 C SER A 20 -9.774 5.155 -24.775 1.00 0.00 C ATOM 299 O SER A 20 -10.881 4.715 -24.471 1.00 0.00 O ATOM 300 CB SER A 20 -10.100 6.458 -26.902 1.00 0.00 C ATOM 301 OG SER A 20 -9.387 5.456 -27.590 1.00 0.00 O ATOM 0 H SER A 20 -7.567 6.639 -25.265 1.00 0.00 H new ATOM 0 HA SER A 20 -10.359 7.170 -24.855 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.168 6.250 -26.960 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.936 7.420 -27.387 1.00 0.00 H new ATOM 0 HG SER A 20 -8.528 5.817 -27.895 1.00 0.00 H new ATOM 307 N GLY A 21 -8.654 4.469 -24.517 1.00 0.00 N ATOM 308 CA GLY A 21 -8.591 3.147 -23.897 1.00 0.00 C ATOM 309 C GLY A 21 -8.603 3.189 -22.363 1.00 0.00 C ATOM 310 O GLY A 21 -8.261 4.193 -21.736 1.00 0.00 O ATOM 0 H GLY A 21 -7.731 4.838 -24.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.436 2.552 -24.243 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.686 2.640 -24.232 1.00 0.00 H new ATOM 314 N LYS A 22 -8.988 2.065 -21.750 1.00 0.00 N ATOM 315 CA LYS A 22 -9.295 1.968 -20.315 1.00 0.00 C ATOM 316 C LYS A 22 -8.045 1.683 -19.471 1.00 0.00 C ATOM 317 O LYS A 22 -7.322 0.715 -19.715 1.00 0.00 O ATOM 318 CB LYS A 22 -10.389 0.907 -20.102 1.00 0.00 C ATOM 319 CG LYS A 22 -11.750 1.415 -20.617 1.00 0.00 C ATOM 320 CD LYS A 22 -12.914 0.415 -20.516 1.00 0.00 C ATOM 321 CE LYS A 22 -13.272 0.023 -19.073 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.757 -1.318 -18.714 1.00 0.00 N ATOM 0 H LYS A 22 -9.098 1.180 -22.244 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.667 2.933 -19.972 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.118 -0.011 -20.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.464 0.663 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.017 2.313 -20.060 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.637 1.709 -21.660 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.794 0.846 -20.994 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.657 -0.485 -21.074 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.864 0.763 -18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.355 0.039 -18.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.871 -1.471 -17.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.288 -2.045 -19.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.749 -1.381 -18.963 1.00 0.00 H new ATOM 336 N TYR A 23 -7.823 2.513 -18.446 1.00 0.00 N ATOM 337 CA TYR A 23 -6.686 2.455 -17.525 1.00 0.00 C ATOM 338 C TYR A 23 -7.102 2.507 -16.039 1.00 0.00 C ATOM 339 O TYR A 23 -8.274 2.694 -15.715 1.00 0.00 O ATOM 340 CB TYR A 23 -5.741 3.616 -17.875 1.00 0.00 C ATOM 341 CG TYR A 23 -6.313 4.993 -17.590 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.195 5.599 -18.509 1.00 0.00 C ATOM 343 CD2 TYR A 23 -5.970 5.661 -16.399 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.747 6.860 -18.228 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.516 6.928 -16.119 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.403 7.534 -17.038 1.00 0.00 C ATOM 347 OH TYR A 23 -7.911 8.771 -16.789 1.00 0.00 O ATOM 0 H TYR A 23 -8.461 3.278 -18.227 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.186 1.494 -17.648 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.814 3.497 -17.314 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.484 3.554 -18.932 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.446 5.093 -19.430 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.287 5.201 -15.700 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.436 7.314 -18.925 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.257 7.437 -15.202 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.576 9.095 -15.927 1.00 0.00 H new ATOM 357 N THR A 24 -6.128 2.344 -15.134 1.00 0.00 N ATOM 358 CA THR A 24 -6.272 2.461 -13.671 1.00 0.00 C ATOM 359 C THR A 24 -4.988 3.022 -13.028 1.00 0.00 C ATOM 360 O THR A 24 -3.905 2.865 -13.599 1.00 0.00 O ATOM 361 CB THR A 24 -6.664 1.092 -13.088 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.920 1.200 -11.713 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.608 0.002 -13.279 1.00 0.00 C ATOM 0 H THR A 24 -5.173 2.116 -15.411 1.00 0.00 H new ATOM 0 HA THR A 24 -7.066 3.172 -13.441 1.00 0.00 H new ATOM 0 HB THR A 24 -7.554 0.796 -13.644 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.782 0.782 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.964 -0.930 -12.840 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.425 -0.145 -14.343 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.682 0.303 -12.790 1.00 0.00 H new ATOM 371 N LEU A 25 -5.103 3.679 -11.858 1.00 0.00 N ATOM 372 CA LEU A 25 -4.043 4.470 -11.202 1.00 0.00 C ATOM 373 C LEU A 25 -4.020 4.287 -9.676 1.00 0.00 C ATOM 374 O LEU A 25 -5.046 4.463 -9.016 1.00 0.00 O ATOM 375 CB LEU A 25 -4.246 5.976 -11.478 1.00 0.00 C ATOM 376 CG LEU A 25 -4.244 6.413 -12.949 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.514 7.916 -13.038 1.00 0.00 C ATOM 378 CD2 LEU A 25 -2.903 6.136 -13.619 1.00 0.00 C ATOM 0 H LEU A 25 -5.971 3.673 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.103 4.109 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.195 6.278 -11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.461 6.526 -10.958 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.020 5.842 -13.459 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.512 8.225 -14.083 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.485 8.138 -12.596 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.737 8.458 -12.498 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.942 6.459 -14.659 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.116 6.682 -13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.690 5.068 -13.579 1.00 0.00 H new ATOM 390 N GLY A 26 -2.840 4.010 -9.109 1.00 0.00 N ATOM 391 CA GLY A 26 -2.640 3.834 -7.663 1.00 0.00 C ATOM 392 C GLY A 26 -2.780 2.371 -7.221 1.00 0.00 C ATOM 393 O GLY A 26 -3.527 1.606 -7.826 1.00 0.00 O ATOM 0 H GLY A 26 -1.982 3.900 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.650 4.199 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.364 4.444 -7.123 1.00 0.00 H new ATOM 397 N TYR A 27 -2.065 1.982 -6.153 1.00 0.00 N ATOM 398 CA TYR A 27 -1.812 0.577 -5.793 1.00 0.00 C ATOM 399 C TYR A 27 -3.091 -0.265 -5.668 1.00 0.00 C ATOM 400 O TYR A 27 -3.237 -1.268 -6.363 1.00 0.00 O ATOM 401 CB TYR A 27 -0.953 0.495 -4.522 1.00 0.00 C ATOM 402 CG TYR A 27 -0.328 -0.873 -4.303 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.899 -1.177 -4.922 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.964 -1.847 -3.502 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.475 -2.440 -4.760 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.375 -3.117 -3.321 1.00 0.00 C ATOM 407 CZ TYR A 27 0.847 -3.413 -3.964 1.00 0.00 C ATOM 408 OH TYR A 27 1.491 -4.596 -3.801 1.00 0.00 O ATOM 0 H TYR A 27 -1.640 2.645 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.257 0.137 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.162 1.243 -4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.569 0.747 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.397 -0.432 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.906 -1.619 -3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.410 -2.670 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.855 -3.856 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 27 0.990 -5.157 -3.173 1.00 0.00 H new ATOM 418 N LYS A 28 -4.041 0.157 -4.820 1.00 0.00 N ATOM 419 CA LYS A 28 -5.339 -0.513 -4.642 1.00 0.00 C ATOM 420 C LYS A 28 -6.092 -0.655 -5.971 1.00 0.00 C ATOM 421 O LYS A 28 -6.615 -1.728 -6.270 1.00 0.00 O ATOM 422 CB LYS A 28 -6.157 0.256 -3.590 1.00 0.00 C ATOM 423 CG LYS A 28 -7.466 -0.456 -3.212 1.00 0.00 C ATOM 424 CD LYS A 28 -8.231 0.347 -2.148 1.00 0.00 C ATOM 425 CE LYS A 28 -9.572 -0.300 -1.773 1.00 0.00 C ATOM 426 NZ LYS A 28 -9.395 -1.568 -1.024 1.00 0.00 N ATOM 0 H LYS A 28 -3.929 0.983 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.174 -1.529 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.551 0.391 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.388 1.250 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.088 -0.580 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.247 -1.455 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.614 0.440 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.410 1.357 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.153 0.397 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.146 -0.493 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.327 -1.968 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.863 -2.245 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.871 -1.382 -0.145 1.00 0.00 H new ATOM 440 N SER A 29 -6.119 0.415 -6.771 1.00 0.00 N ATOM 441 CA SER A 29 -6.781 0.522 -8.070 1.00 0.00 C ATOM 442 C SER A 29 -6.242 -0.483 -9.084 1.00 0.00 C ATOM 443 O SER A 29 -7.035 -1.176 -9.737 1.00 0.00 O ATOM 444 CB SER A 29 -6.559 1.920 -8.649 1.00 0.00 C ATOM 445 OG SER A 29 -6.551 2.931 -7.666 1.00 0.00 O ATOM 0 H SER A 29 -5.649 1.282 -6.511 1.00 0.00 H new ATOM 0 HA SER A 29 -7.838 0.319 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.611 1.937 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.343 2.134 -9.376 1.00 0.00 H new ATOM 0 HG SER A 29 -6.225 3.767 -8.059 1.00 0.00 H new ATOM 451 N THR A 30 -4.907 -0.551 -9.235 1.00 0.00 N ATOM 452 CA THR A 30 -4.261 -1.606 -10.016 1.00 0.00 C ATOM 453 C THR A 30 -4.575 -2.967 -9.397 1.00 0.00 C ATOM 454 O THR A 30 -5.325 -3.694 -10.037 1.00 0.00 O ATOM 455 CB THR A 30 -2.789 -1.319 -10.348 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.272 -2.388 -11.091 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.861 -1.092 -9.165 1.00 0.00 C ATOM 0 H THR A 30 -4.257 0.118 -8.822 1.00 0.00 H new ATOM 0 HA THR A 30 -4.692 -1.630 -11.017 1.00 0.00 H new ATOM 0 HB THR A 30 -2.814 -0.376 -10.894 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.217 -2.133 -12.036 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.851 -0.900 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.209 -0.235 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.857 -1.978 -8.531 1.00 0.00 H new ATOM 465 N VAL A 31 -4.170 -3.292 -8.158 1.00 0.00 N ATOM 466 CA VAL A 31 -4.403 -4.611 -7.518 1.00 0.00 C ATOM 467 C VAL A 31 -5.829 -5.137 -7.732 1.00 0.00 C ATOM 468 O VAL A 31 -5.987 -6.255 -8.223 1.00 0.00 O ATOM 469 CB VAL A 31 -4.031 -4.585 -6.021 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.454 -5.877 -5.305 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.515 -4.441 -5.856 1.00 0.00 C ATOM 0 H VAL A 31 -3.663 -2.641 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.738 -5.315 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.556 -3.737 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.174 -5.818 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.534 -6.001 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.955 -6.729 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.264 -4.424 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.015 -5.284 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.185 -3.513 -6.322 1.00 0.00 H new ATOM 481 N LYS A 32 -6.856 -4.327 -7.437 1.00 0.00 N ATOM 482 CA LYS A 32 -8.265 -4.604 -7.761 1.00 0.00 C ATOM 483 C LYS A 32 -8.426 -5.028 -9.229 1.00 0.00 C ATOM 484 O LYS A 32 -8.897 -6.124 -9.514 1.00 0.00 O ATOM 485 CB LYS A 32 -9.088 -3.344 -7.428 1.00 0.00 C ATOM 486 CG LYS A 32 -10.582 -3.439 -7.798 1.00 0.00 C ATOM 487 CD LYS A 32 -11.221 -2.070 -8.092 1.00 0.00 C ATOM 488 CE LYS A 32 -10.619 -1.353 -9.315 1.00 0.00 C ATOM 489 NZ LYS A 32 -10.915 -2.036 -10.598 1.00 0.00 N ATOM 0 H LYS A 32 -6.727 -3.438 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.630 -5.441 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.003 -3.142 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.651 -2.492 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.693 -4.080 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.122 -3.917 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.291 -2.206 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.108 -1.431 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.004 -0.334 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.539 -1.281 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.059 -2.052 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.224 -3.011 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.670 -1.524 -11.098 1.00 0.00 H new ATOM 503 N SER A 33 -8.047 -4.146 -10.155 1.00 0.00 N ATOM 504 CA SER A 33 -8.190 -4.323 -11.605 1.00 0.00 C ATOM 505 C SER A 33 -7.403 -5.520 -12.161 1.00 0.00 C ATOM 506 O SER A 33 -7.893 -6.194 -13.065 1.00 0.00 O ATOM 507 CB SER A 33 -7.746 -3.049 -12.331 1.00 0.00 C ATOM 508 OG SER A 33 -8.347 -1.899 -11.753 1.00 0.00 O ATOM 0 H SER A 33 -7.616 -3.255 -9.909 1.00 0.00 H new ATOM 0 HA SER A 33 -9.246 -4.526 -11.784 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.661 -2.959 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.016 -3.114 -13.385 1.00 0.00 H new ATOM 0 HG SER A 33 -7.680 -1.411 -11.227 1.00 0.00 H new ATOM 514 N LEU A 34 -6.212 -5.805 -11.615 1.00 0.00 N ATOM 515 CA LEU A 34 -5.414 -6.978 -11.979 1.00 0.00 C ATOM 516 C LEU A 34 -6.073 -8.265 -11.467 1.00 0.00 C ATOM 517 O LEU A 34 -6.199 -9.229 -12.219 1.00 0.00 O ATOM 518 CB LEU A 34 -3.971 -6.881 -11.443 1.00 0.00 C ATOM 519 CG LEU A 34 -3.204 -5.576 -11.701 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.776 -5.665 -11.172 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.202 -5.147 -13.158 1.00 0.00 C ATOM 0 H LEU A 34 -5.774 -5.221 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.368 -7.007 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.001 -7.046 -10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.396 -7.700 -11.875 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.744 -4.804 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.256 -4.727 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.797 -5.851 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.253 -6.481 -11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.642 -4.218 -13.263 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.735 -5.923 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.228 -4.992 -13.493 1.00 0.00 H new ATOM 533 N ARG A 35 -6.552 -8.283 -10.213 1.00 0.00 N ATOM 534 CA ARG A 35 -7.308 -9.414 -9.649 1.00 0.00 C ATOM 535 C ARG A 35 -8.664 -9.626 -10.348 1.00 0.00 C ATOM 536 O ARG A 35 -9.137 -10.754 -10.406 1.00 0.00 O ATOM 537 CB ARG A 35 -7.458 -9.244 -8.127 1.00 0.00 C ATOM 538 CG ARG A 35 -6.099 -9.379 -7.410 1.00 0.00 C ATOM 539 CD ARG A 35 -6.179 -9.052 -5.913 1.00 0.00 C ATOM 540 NE ARG A 35 -6.809 -10.141 -5.142 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.306 -10.822 -4.117 1.00 0.00 C ATOM 542 NH1 ARG A 35 -5.108 -10.616 -3.615 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.027 -11.766 -3.557 1.00 0.00 N ATOM 0 H ARG A 35 -6.426 -7.511 -9.559 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.738 -10.324 -9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.891 -8.268 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.150 -9.993 -7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.727 -10.396 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.376 -8.715 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.176 -8.869 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.747 -8.133 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.750 -10.405 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.504 -9.897 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.783 -11.175 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.962 -11.970 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.652 -12.295 -2.770 1.00 0.00 H new ATOM 557 N GLN A 36 -9.239 -8.577 -10.950 1.00 0.00 N ATOM 558 CA GLN A 36 -10.354 -8.651 -11.908 1.00 0.00 C ATOM 559 C GLN A 36 -9.940 -9.119 -13.325 1.00 0.00 C ATOM 560 O GLN A 36 -10.791 -9.201 -14.209 1.00 0.00 O ATOM 561 CB GLN A 36 -11.065 -7.285 -11.979 1.00 0.00 C ATOM 562 CG GLN A 36 -11.871 -6.969 -10.711 1.00 0.00 C ATOM 563 CD GLN A 36 -12.517 -5.587 -10.790 1.00 0.00 C ATOM 564 OE1 GLN A 36 -11.854 -4.556 -10.865 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.835 -5.509 -10.767 1.00 0.00 N ATOM 0 H GLN A 36 -8.931 -7.620 -10.779 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.034 -9.416 -11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.323 -6.502 -12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.732 -7.272 -12.841 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.643 -7.726 -10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.216 -7.017 -9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.395 -6.359 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.293 -4.599 -10.811 1.00 0.00 H new ATOM 574 N GLY A 37 -8.660 -9.425 -13.579 1.00 0.00 N ATOM 575 CA GLY A 37 -8.151 -10.125 -14.765 1.00 0.00 C ATOM 576 C GLY A 37 -8.127 -9.334 -16.083 1.00 0.00 C ATOM 577 O GLY A 37 -7.361 -9.685 -16.976 1.00 0.00 O ATOM 0 H GLY A 37 -7.914 -9.178 -12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.136 -10.460 -14.552 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.756 -11.019 -14.917 1.00 0.00 H new ATOM 581 N LYS A 38 -8.946 -8.281 -16.216 1.00 0.00 N ATOM 582 CA LYS A 38 -9.156 -7.512 -17.456 1.00 0.00 C ATOM 583 C LYS A 38 -7.976 -6.607 -17.864 1.00 0.00 C ATOM 584 O LYS A 38 -8.005 -6.019 -18.941 1.00 0.00 O ATOM 585 CB LYS A 38 -10.491 -6.747 -17.327 1.00 0.00 C ATOM 586 CG LYS A 38 -11.112 -6.192 -18.630 1.00 0.00 C ATOM 587 CD LYS A 38 -11.539 -7.303 -19.604 1.00 0.00 C ATOM 588 CE LYS A 38 -12.112 -6.788 -20.933 1.00 0.00 C ATOM 589 NZ LYS A 38 -13.353 -5.993 -20.763 1.00 0.00 N ATOM 0 H LYS A 38 -9.501 -7.927 -15.437 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.210 -8.217 -18.286 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.219 -7.412 -16.862 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.338 -5.913 -16.643 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.978 -5.579 -18.382 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.391 -5.540 -19.123 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.678 -7.938 -19.814 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.286 -7.930 -19.118 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.361 -6.176 -21.433 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.318 -7.636 -21.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.774 -5.803 -21.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.029 -6.526 -20.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.127 -5.092 -20.296 1.00 0.00 H new ATOM 603 N SER A 39 -6.925 -6.504 -17.044 1.00 0.00 N ATOM 604 CA SER A 39 -5.667 -5.841 -17.411 1.00 0.00 C ATOM 605 C SER A 39 -4.947 -6.538 -18.566 1.00 0.00 C ATOM 606 O SER A 39 -5.144 -7.730 -18.809 1.00 0.00 O ATOM 607 CB SER A 39 -4.743 -5.792 -16.194 1.00 0.00 C ATOM 608 OG SER A 39 -4.408 -7.089 -15.740 1.00 0.00 O ATOM 0 H SER A 39 -6.923 -6.882 -16.097 1.00 0.00 H new ATOM 0 HA SER A 39 -5.918 -4.834 -17.745 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.833 -5.249 -16.450 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.229 -5.239 -15.390 1.00 0.00 H new ATOM 0 HG SER A 39 -3.667 -7.442 -16.276 1.00 0.00 H new ATOM 614 N LYS A 40 -4.034 -5.821 -19.231 1.00 0.00 N ATOM 615 CA LYS A 40 -3.026 -6.432 -20.102 1.00 0.00 C ATOM 616 C LYS A 40 -1.617 -5.819 -19.992 1.00 0.00 C ATOM 617 O LYS A 40 -0.662 -6.476 -20.402 1.00 0.00 O ATOM 618 CB LYS A 40 -3.589 -6.472 -21.534 1.00 0.00 C ATOM 619 CG LYS A 40 -2.937 -7.490 -22.487 1.00 0.00 C ATOM 620 CD LYS A 40 -2.908 -8.945 -21.995 1.00 0.00 C ATOM 621 CE LYS A 40 -4.288 -9.532 -21.648 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.394 -9.913 -20.218 1.00 0.00 N ATOM 0 H LYS A 40 -3.974 -4.804 -19.180 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.847 -7.451 -19.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.656 -6.688 -21.478 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.488 -5.479 -21.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.467 -7.459 -23.439 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.913 -7.172 -22.682 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.447 -9.565 -22.763 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.271 -9.004 -21.113 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.061 -8.801 -21.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.475 -10.407 -22.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.138 -10.630 -20.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.486 -10.302 -19.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.632 -9.074 -19.652 1.00 0.00 H new ATOM 636 N LEU A 41 -1.447 -4.644 -19.361 1.00 0.00 N ATOM 637 CA LEU A 41 -0.135 -4.046 -19.044 1.00 0.00 C ATOM 638 C LEU A 41 -0.174 -3.307 -17.697 1.00 0.00 C ATOM 639 O LEU A 41 -1.158 -2.627 -17.406 1.00 0.00 O ATOM 640 CB LEU A 41 0.270 -3.152 -20.236 1.00 0.00 C ATOM 641 CG LEU A 41 1.381 -2.088 -20.161 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.007 -0.903 -19.273 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.760 -2.645 -19.804 1.00 0.00 C ATOM 0 H LEU A 41 -2.232 -4.071 -19.050 1.00 0.00 H new ATOM 0 HA LEU A 41 0.629 -4.813 -18.915 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.546 -3.827 -21.046 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.634 -2.630 -20.549 1.00 0.00 H new ATOM 0 HG LEU A 41 1.467 -1.716 -21.182 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.828 -0.186 -19.258 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.112 -0.422 -19.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.814 -1.254 -18.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.484 -1.831 -19.772 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.715 -3.129 -18.829 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.065 -3.372 -20.557 1.00 0.00 H new ATOM 655 N ILE A 42 0.905 -3.391 -16.906 1.00 0.00 N ATOM 656 CA ILE A 42 1.151 -2.569 -15.712 1.00 0.00 C ATOM 657 C ILE A 42 2.435 -1.736 -15.853 1.00 0.00 C ATOM 658 O ILE A 42 3.429 -2.211 -16.405 1.00 0.00 O ATOM 659 CB ILE A 42 1.142 -3.409 -14.410 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.378 -4.310 -14.186 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.104 -4.300 -14.343 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.471 -4.817 -12.743 1.00 0.00 C ATOM 0 H ILE A 42 1.657 -4.056 -17.086 1.00 0.00 H new ATOM 0 HA ILE A 42 0.320 -1.868 -15.632 1.00 0.00 H new ATOM 0 HB ILE A 42 1.151 -2.657 -13.621 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.333 -5.161 -14.866 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.282 -3.752 -14.432 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.087 -4.880 -13.420 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.998 -3.677 -14.364 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.113 -4.977 -15.197 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.355 -5.445 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.544 -3.968 -12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.581 -5.399 -12.504 1.00 0.00 H new ATOM 674 N ILE A 43 2.425 -0.511 -15.311 1.00 0.00 N ATOM 675 CA ILE A 43 3.611 0.337 -15.138 1.00 0.00 C ATOM 676 C ILE A 43 3.829 0.558 -13.643 1.00 0.00 C ATOM 677 O ILE A 43 2.885 0.906 -12.932 1.00 0.00 O ATOM 678 CB ILE A 43 3.477 1.733 -15.800 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.895 1.775 -17.228 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.837 2.456 -15.762 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.715 1.031 -18.284 1.00 0.00 C ATOM 0 H ILE A 43 1.569 -0.071 -14.972 1.00 0.00 H new ATOM 0 HA ILE A 43 4.442 -0.180 -15.618 1.00 0.00 H new ATOM 0 HB ILE A 43 2.726 2.245 -15.198 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.890 1.353 -17.207 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.797 2.817 -17.534 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.741 3.437 -16.228 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.157 2.576 -14.727 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.577 1.868 -16.305 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.225 1.118 -19.254 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.713 1.465 -18.342 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.792 -0.021 -18.010 1.00 0.00 H new ATOM 693 N ILE A 44 5.080 0.456 -13.186 1.00 0.00 N ATOM 694 CA ILE A 44 5.483 0.948 -11.867 1.00 0.00 C ATOM 695 C ILE A 44 6.554 2.037 -12.046 1.00 0.00 C ATOM 696 O ILE A 44 7.666 1.746 -12.490 1.00 0.00 O ATOM 697 CB ILE A 44 5.916 -0.214 -10.941 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.841 -1.329 -10.806 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.219 0.324 -9.532 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.354 -2.711 -11.217 1.00 0.00 C ATOM 0 H ILE A 44 5.839 0.031 -13.718 1.00 0.00 H new ATOM 0 HA ILE A 44 4.634 1.407 -11.360 1.00 0.00 H new ATOM 0 HB ILE A 44 6.801 -0.652 -11.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.495 -1.369 -9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.979 -1.070 -11.421 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.523 -0.499 -8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.023 1.058 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.326 0.796 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.557 -3.445 -11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.674 -2.685 -12.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.198 -2.988 -10.585 1.00 0.00 H new ATOM 712 N ALA A 45 6.199 3.292 -11.722 1.00 0.00 N ATOM 713 CA ALA A 45 7.090 4.457 -11.701 1.00 0.00 C ATOM 714 C ALA A 45 7.104 5.137 -10.319 1.00 0.00 C ATOM 715 O ALA A 45 6.761 6.313 -10.163 1.00 0.00 O ATOM 716 CB ALA A 45 6.736 5.419 -12.846 1.00 0.00 C ATOM 0 H ALA A 45 5.243 3.529 -11.457 1.00 0.00 H new ATOM 0 HA ALA A 45 8.113 4.120 -11.871 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.405 6.279 -12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.846 4.904 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.706 5.757 -12.732 1.00 0.00 H new ATOM 722 N ALA A 46 7.495 4.376 -9.297 1.00 0.00 N ATOM 723 CA ALA A 46 7.520 4.802 -7.901 1.00 0.00 C ATOM 724 C ALA A 46 8.642 4.093 -7.126 1.00 0.00 C ATOM 725 O ALA A 46 9.209 3.109 -7.602 1.00 0.00 O ATOM 726 CB ALA A 46 6.143 4.490 -7.302 1.00 0.00 C ATOM 0 H ALA A 46 7.813 3.415 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 46 7.726 5.870 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.124 4.796 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.375 5.033 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.950 3.419 -7.371 1.00 0.00 H new ATOM 732 N ASN A 47 8.915 4.552 -5.900 1.00 0.00 N ATOM 733 CA ASN A 47 9.867 3.988 -4.929 1.00 0.00 C ATOM 734 C ASN A 47 9.441 2.613 -4.348 1.00 0.00 C ATOM 735 O ASN A 47 9.662 2.327 -3.169 1.00 0.00 O ATOM 736 CB ASN A 47 10.068 5.053 -3.834 1.00 0.00 C ATOM 737 CG ASN A 47 8.766 5.401 -3.129 1.00 0.00 C ATOM 738 OD1 ASN A 47 8.081 6.343 -3.496 1.00 0.00 O ATOM 739 ND2 ASN A 47 8.364 4.612 -2.156 1.00 0.00 N ATOM 0 H ASN A 47 8.448 5.381 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 47 10.806 3.764 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.790 4.689 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.491 5.954 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.469 4.783 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.947 3.829 -1.860 1.00 0.00 H new ATOM 746 N THR A 48 8.765 1.796 -5.155 1.00 0.00 N ATOM 747 CA THR A 48 8.081 0.550 -4.806 1.00 0.00 C ATOM 748 C THR A 48 9.080 -0.554 -4.415 1.00 0.00 C ATOM 749 O THR A 48 9.812 -1.025 -5.288 1.00 0.00 O ATOM 750 CB THR A 48 7.234 0.109 -6.010 1.00 0.00 C ATOM 751 OG1 THR A 48 6.370 1.152 -6.391 1.00 0.00 O ATOM 752 CG2 THR A 48 6.332 -1.076 -5.706 1.00 0.00 C ATOM 0 H THR A 48 8.674 2.005 -6.149 1.00 0.00 H new ATOM 0 HA THR A 48 7.443 0.723 -3.939 1.00 0.00 H new ATOM 0 HB THR A 48 7.949 -0.162 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.632 0.788 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.761 -1.337 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.940 -1.928 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.646 -0.814 -4.900 1.00 0.00 H new ATOM 760 N PRO A 49 9.134 -0.996 -3.141 1.00 0.00 N ATOM 761 CA PRO A 49 10.086 -2.018 -2.700 1.00 0.00 C ATOM 762 C PRO A 49 9.738 -3.416 -3.243 1.00 0.00 C ATOM 763 O PRO A 49 8.623 -3.663 -3.707 1.00 0.00 O ATOM 764 CB PRO A 49 10.052 -1.962 -1.170 1.00 0.00 C ATOM 765 CG PRO A 49 8.626 -1.509 -0.868 1.00 0.00 C ATOM 766 CD PRO A 49 8.315 -0.554 -2.020 1.00 0.00 C ATOM 0 HA PRO A 49 11.087 -1.824 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.268 -2.934 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.789 -1.262 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.933 -2.350 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.558 -1.010 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.256 -0.583 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.549 0.475 -1.748 1.00 0.00 H new ATOM 774 N VAL A 50 10.701 -4.344 -3.149 1.00 0.00 N ATOM 775 CA VAL A 50 10.700 -5.657 -3.820 1.00 0.00 C ATOM 776 C VAL A 50 9.390 -6.428 -3.631 1.00 0.00 C ATOM 777 O VAL A 50 8.748 -6.782 -4.614 1.00 0.00 O ATOM 778 CB VAL A 50 11.917 -6.509 -3.401 1.00 0.00 C ATOM 779 CG1 VAL A 50 11.955 -7.846 -4.156 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.240 -5.778 -3.680 1.00 0.00 C ATOM 0 H VAL A 50 11.536 -4.197 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 50 10.783 -5.450 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 50 11.807 -6.687 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.825 -8.420 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.048 -8.411 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.019 -7.657 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.075 -6.407 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.320 -5.564 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.264 -4.843 -3.120 1.00 0.00 H new ATOM 790 N LEU A 51 8.962 -6.674 -2.387 1.00 0.00 N ATOM 791 CA LEU A 51 7.734 -7.429 -2.109 1.00 0.00 C ATOM 792 C LEU A 51 6.481 -6.753 -2.694 1.00 0.00 C ATOM 793 O LEU A 51 5.576 -7.435 -3.166 1.00 0.00 O ATOM 794 CB LEU A 51 7.575 -7.635 -0.591 1.00 0.00 C ATOM 795 CG LEU A 51 8.727 -8.402 0.092 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.468 -8.476 1.598 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.884 -9.827 -0.447 1.00 0.00 C ATOM 0 H LEU A 51 9.453 -6.358 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 51 7.829 -8.397 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.478 -6.659 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.644 -8.172 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 51 9.646 -7.857 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.281 -9.018 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.410 -7.467 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.527 -8.996 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.708 -10.322 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.963 -10.384 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.093 -9.791 -1.516 1.00 0.00 H new ATOM 809 N ARG A 52 6.443 -5.415 -2.697 1.00 0.00 N ATOM 810 CA ARG A 52 5.345 -4.597 -3.223 1.00 0.00 C ATOM 811 C ARG A 52 5.316 -4.652 -4.757 1.00 0.00 C ATOM 812 O ARG A 52 4.282 -4.986 -5.345 1.00 0.00 O ATOM 813 CB ARG A 52 5.504 -3.176 -2.643 1.00 0.00 C ATOM 814 CG ARG A 52 4.218 -2.347 -2.560 1.00 0.00 C ATOM 815 CD ARG A 52 3.352 -2.623 -1.319 1.00 0.00 C ATOM 816 NE ARG A 52 2.736 -3.965 -1.323 1.00 0.00 N ATOM 817 CZ ARG A 52 2.632 -4.841 -0.332 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.169 -4.626 0.847 1.00 0.00 N ATOM 819 NH2 ARG A 52 1.976 -5.965 -0.497 1.00 0.00 N ATOM 0 H ARG A 52 7.205 -4.852 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 52 4.372 -4.979 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.928 -3.257 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.226 -2.633 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.482 -1.290 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.621 -2.538 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.966 -2.515 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.566 -1.870 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 52 2.334 -4.260 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.685 -3.764 1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.070 -5.321 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.539 -6.173 -1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.903 -6.631 0.272 1.00 0.00 H new ATOM 833 N LYS A 53 6.467 -4.398 -5.409 1.00 0.00 N ATOM 834 CA LYS A 53 6.572 -4.494 -6.872 1.00 0.00 C ATOM 835 C LYS A 53 6.207 -5.912 -7.299 1.00 0.00 C ATOM 836 O LYS A 53 5.401 -6.082 -8.208 1.00 0.00 O ATOM 837 CB LYS A 53 7.938 -4.025 -7.443 1.00 0.00 C ATOM 838 CG LYS A 53 9.049 -5.090 -7.502 1.00 0.00 C ATOM 839 CD LYS A 53 10.293 -4.695 -8.305 1.00 0.00 C ATOM 840 CE LYS A 53 11.273 -5.870 -8.498 1.00 0.00 C ATOM 841 NZ LYS A 53 10.636 -7.112 -9.017 1.00 0.00 N ATOM 0 H LYS A 53 7.333 -4.126 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 53 5.861 -3.791 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.776 -3.642 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.294 -3.191 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.355 -5.329 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.633 -6.001 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.986 -4.319 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.806 -3.879 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.061 -5.563 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.751 -6.091 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.374 -7.790 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.041 -7.533 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.048 -6.881 -9.843 1.00 0.00 H new ATOM 855 N SER A 54 6.763 -6.919 -6.613 1.00 0.00 N ATOM 856 CA SER A 54 6.614 -8.305 -7.022 1.00 0.00 C ATOM 857 C SER A 54 5.248 -8.898 -6.671 1.00 0.00 C ATOM 858 O SER A 54 4.852 -9.853 -7.323 1.00 0.00 O ATOM 859 CB SER A 54 7.804 -9.171 -6.604 1.00 0.00 C ATOM 860 OG SER A 54 8.943 -8.785 -7.367 1.00 0.00 O ATOM 0 H SER A 54 7.321 -6.789 -5.769 1.00 0.00 H new ATOM 0 HA SER A 54 6.631 -8.306 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.004 -9.049 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.580 -10.225 -6.768 1.00 0.00 H new ATOM 0 HG SER A 54 8.981 -9.316 -8.190 1.00 0.00 H new ATOM 866 N GLU A 55 4.463 -8.294 -5.767 1.00 0.00 N ATOM 867 CA GLU A 55 3.019 -8.556 -5.694 1.00 0.00 C ATOM 868 C GLU A 55 2.301 -8.055 -6.966 1.00 0.00 C ATOM 869 O GLU A 55 1.521 -8.805 -7.553 1.00 0.00 O ATOM 870 CB GLU A 55 2.414 -7.900 -4.439 1.00 0.00 C ATOM 871 CG GLU A 55 1.043 -8.502 -4.072 1.00 0.00 C ATOM 872 CD GLU A 55 0.142 -7.601 -3.208 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.607 -6.537 -2.718 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.052 -7.957 -3.071 1.00 0.00 O ATOM 0 H GLU A 55 4.803 -7.623 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 55 2.874 -9.634 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.099 -8.023 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.305 -6.829 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.512 -8.744 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.206 -9.441 -3.542 1.00 0.00 H new ATOM 881 N LEU A 56 2.582 -6.825 -7.439 1.00 0.00 N ATOM 882 CA LEU A 56 2.012 -6.351 -8.722 1.00 0.00 C ATOM 883 C LEU A 56 2.406 -7.241 -9.904 1.00 0.00 C ATOM 884 O LEU A 56 1.582 -7.610 -10.734 1.00 0.00 O ATOM 885 CB LEU A 56 2.381 -4.895 -9.016 1.00 0.00 C ATOM 886 CG LEU A 56 1.858 -3.882 -7.990 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.601 -2.568 -8.711 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.531 -4.282 -7.351 1.00 0.00 C ATOM 0 H LEU A 56 3.186 -6.152 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 56 0.930 -6.412 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.467 -4.813 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.995 -4.628 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 56 2.613 -3.819 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.228 -1.830 -8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.530 -2.208 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.861 -2.723 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.226 -3.517 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.230 -4.381 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.649 -5.234 -6.834 1.00 0.00 H new ATOM 900 N GLU A 57 3.684 -7.591 -9.931 1.00 0.00 N ATOM 901 CA GLU A 57 4.345 -8.501 -10.876 1.00 0.00 C ATOM 902 C GLU A 57 3.691 -9.901 -10.842 1.00 0.00 C ATOM 903 O GLU A 57 3.435 -10.489 -11.891 1.00 0.00 O ATOM 904 CB GLU A 57 5.821 -8.534 -10.459 1.00 0.00 C ATOM 905 CG GLU A 57 6.953 -8.834 -11.438 1.00 0.00 C ATOM 906 CD GLU A 57 8.262 -8.423 -10.730 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.616 -9.049 -9.699 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.859 -7.375 -11.088 1.00 0.00 O ATOM 0 H GLU A 57 4.342 -7.222 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 57 4.247 -8.162 -11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.041 -7.561 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.900 -9.270 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.969 -9.892 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.822 -8.277 -12.366 1.00 0.00 H new ATOM 915 N TYR A 58 3.345 -10.408 -9.648 1.00 0.00 N ATOM 916 CA TYR A 58 2.559 -11.629 -9.442 1.00 0.00 C ATOM 917 C TYR A 58 1.146 -11.502 -10.025 1.00 0.00 C ATOM 918 O TYR A 58 0.710 -12.388 -10.757 1.00 0.00 O ATOM 919 CB TYR A 58 2.509 -11.972 -7.944 1.00 0.00 C ATOM 920 CG TYR A 58 2.048 -13.375 -7.616 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.683 -13.658 -7.411 1.00 0.00 C ATOM 922 CD2 TYR A 58 3.010 -14.389 -7.451 1.00 0.00 C ATOM 923 CE1 TYR A 58 0.287 -14.956 -7.039 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.617 -15.694 -7.105 1.00 0.00 C ATOM 925 CZ TYR A 58 1.248 -15.979 -6.898 1.00 0.00 C ATOM 926 OH TYR A 58 0.851 -17.232 -6.549 1.00 0.00 O ATOM 0 H TYR A 58 3.615 -9.962 -8.771 1.00 0.00 H new ATOM 0 HA TYR A 58 3.050 -12.443 -9.975 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.503 -11.826 -7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.845 -11.264 -7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.057 -12.881 -7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.057 -14.163 -7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.757 -15.170 -6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.357 -16.474 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 58 1.633 -17.820 -6.495 1.00 0.00 H new ATOM 936 N TYR A 59 0.425 -10.406 -9.751 1.00 0.00 N ATOM 937 CA TYR A 59 -0.885 -10.191 -10.380 1.00 0.00 C ATOM 938 C TYR A 59 -0.789 -10.053 -11.903 1.00 0.00 C ATOM 939 O TYR A 59 -1.651 -10.584 -12.604 1.00 0.00 O ATOM 940 CB TYR A 59 -1.617 -8.984 -9.799 1.00 0.00 C ATOM 941 CG TYR A 59 -1.909 -9.042 -8.317 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.617 -10.134 -7.777 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.503 -7.984 -7.486 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.892 -10.182 -6.399 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.784 -8.026 -6.111 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.474 -9.127 -5.561 1.00 0.00 C ATOM 947 OH TYR A 59 -2.769 -9.155 -4.233 1.00 0.00 O ATOM 0 H TYR A 59 0.719 -9.668 -9.111 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.464 -11.086 -10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.023 -8.092 -9.998 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.560 -8.864 -10.332 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.949 -10.934 -8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.975 -7.140 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.423 -11.025 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.471 -7.213 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.380 -8.370 -3.795 1.00 0.00 H new ATOM 957 N ALA A 60 0.247 -9.393 -12.432 1.00 0.00 N ATOM 958 CA ALA A 60 0.548 -9.368 -13.859 1.00 0.00 C ATOM 959 C ALA A 60 0.761 -10.791 -14.422 1.00 0.00 C ATOM 960 O ALA A 60 0.126 -11.174 -15.409 1.00 0.00 O ATOM 961 CB ALA A 60 1.753 -8.458 -14.101 1.00 0.00 C ATOM 0 H ALA A 60 0.906 -8.855 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.306 -8.961 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.983 -8.435 -15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.522 -7.450 -13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.614 -8.840 -13.552 1.00 0.00 H new ATOM 967 N MET A 61 1.601 -11.598 -13.758 1.00 0.00 N ATOM 968 CA MET A 61 1.836 -13.012 -14.068 1.00 0.00 C ATOM 969 C MET A 61 0.546 -13.852 -14.040 1.00 0.00 C ATOM 970 O MET A 61 0.370 -14.714 -14.902 1.00 0.00 O ATOM 971 CB MET A 61 2.888 -13.563 -13.089 1.00 0.00 C ATOM 972 CG MET A 61 3.250 -15.033 -13.330 1.00 0.00 C ATOM 973 SD MET A 61 4.287 -15.765 -12.036 1.00 0.00 S ATOM 974 CE MET A 61 3.088 -15.885 -10.676 1.00 0.00 C ATOM 0 H MET A 61 2.153 -11.272 -12.965 1.00 0.00 H new ATOM 0 HA MET A 61 2.207 -13.084 -15.090 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.792 -12.959 -13.165 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.515 -13.453 -12.071 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.331 -15.613 -13.414 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.768 -15.116 -14.285 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.508 -16.490 -9.873 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.864 -14.887 -10.299 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.171 -16.350 -11.039 1.00 0.00 H new ATOM 984 N LEU A 62 -0.366 -13.621 -13.087 1.00 0.00 N ATOM 985 CA LEU A 62 -1.694 -14.245 -13.055 1.00 0.00 C ATOM 986 C LEU A 62 -2.561 -13.798 -14.247 1.00 0.00 C ATOM 987 O LEU A 62 -2.913 -14.615 -15.104 1.00 0.00 O ATOM 988 CB LEU A 62 -2.405 -13.928 -11.722 1.00 0.00 C ATOM 989 CG LEU A 62 -1.838 -14.621 -10.470 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.543 -14.040 -9.242 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.069 -16.133 -10.480 1.00 0.00 C ATOM 0 H LEU A 62 -0.199 -12.987 -12.306 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.555 -15.323 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.370 -12.850 -11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.455 -14.202 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.762 -14.447 -10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.157 -14.517 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.360 -12.967 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.615 -14.222 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.649 -16.571 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.139 -16.337 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.583 -16.569 -11.353 1.00 0.00 H new ATOM 1003 N SER A 63 -2.905 -12.507 -14.282 1.00 0.00 N ATOM 1004 CA SER A 63 -3.872 -11.827 -15.160 1.00 0.00 C ATOM 1005 C SER A 63 -3.406 -11.679 -16.619 1.00 0.00 C ATOM 1006 O SER A 63 -3.542 -10.608 -17.218 1.00 0.00 O ATOM 1007 CB SER A 63 -4.208 -10.453 -14.549 1.00 0.00 C ATOM 1008 OG SER A 63 -3.061 -9.631 -14.443 1.00 0.00 O ATOM 0 H SER A 63 -2.474 -11.846 -13.636 1.00 0.00 H new ATOM 0 HA SER A 63 -4.760 -12.457 -15.213 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.957 -9.955 -15.165 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.648 -10.592 -13.562 1.00 0.00 H new ATOM 0 HG SER A 63 -2.659 -9.743 -13.556 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.892 -12.750 -17.239 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.649 -12.767 -18.036 1.00 0.00 C ATOM 1016 C LYS A 64 -1.391 -11.426 -18.739 1.00 0.00 C ATOM 1017 O LYS A 64 -1.968 -11.120 -19.782 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.738 -13.902 -19.081 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.882 -15.317 -18.496 1.00 0.00 C ATOM 1020 CD LYS A 64 -0.550 -15.884 -17.988 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.779 -17.116 -17.106 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.234 -16.725 -15.753 1.00 0.00 N ATOM 0 H LYS A 64 -3.344 -13.664 -17.200 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.814 -12.939 -17.357 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.588 -13.707 -19.734 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.844 -13.872 -19.704 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.600 -15.296 -17.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.288 -15.982 -19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.082 -16.151 -18.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.018 -15.120 -17.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.522 -17.766 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.144 -17.690 -17.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.543 -17.571 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.451 -16.270 -15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.028 -16.059 -15.833 1.00 0.00 H new ATOM 1036 N THR A 65 -0.595 -10.594 -18.068 1.00 0.00 N ATOM 1037 CA THR A 65 -0.425 -9.148 -18.253 1.00 0.00 C ATOM 1038 C THR A 65 1.071 -8.806 -18.290 1.00 0.00 C ATOM 1039 O THR A 65 1.871 -9.398 -17.567 1.00 0.00 O ATOM 1040 CB THR A 65 -1.162 -8.432 -17.096 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.544 -8.312 -17.358 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.653 -7.049 -16.715 1.00 0.00 C ATOM 0 H THR A 65 -0.000 -10.942 -17.316 1.00 0.00 H new ATOM 0 HA THR A 65 -0.851 -8.814 -19.199 1.00 0.00 H new ATOM 0 HB THR A 65 -0.954 -9.089 -16.251 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.020 -9.067 -16.954 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.251 -6.655 -15.893 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.390 -7.118 -16.404 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.732 -6.383 -17.574 1.00 0.00 H new ATOM 1050 N LYS A 66 1.453 -7.829 -19.122 1.00 0.00 N ATOM 1051 CA LYS A 66 2.833 -7.344 -19.263 1.00 0.00 C ATOM 1052 C LYS A 66 3.198 -6.396 -18.110 1.00 0.00 C ATOM 1053 O LYS A 66 2.365 -5.626 -17.644 1.00 0.00 O ATOM 1054 CB LYS A 66 2.939 -6.652 -20.640 1.00 0.00 C ATOM 1055 CG LYS A 66 4.296 -6.012 -20.987 1.00 0.00 C ATOM 1056 CD LYS A 66 5.478 -6.997 -20.975 1.00 0.00 C ATOM 1057 CE LYS A 66 6.772 -6.403 -21.548 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.077 -5.059 -21.012 1.00 0.00 N ATOM 0 H LYS A 66 0.796 -7.342 -19.731 1.00 0.00 H new ATOM 0 HA LYS A 66 3.544 -8.169 -19.212 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.702 -7.387 -21.410 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.174 -5.878 -20.692 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.228 -5.555 -21.974 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.499 -5.210 -20.278 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.659 -7.323 -19.951 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.208 -7.884 -21.549 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.602 -7.074 -21.327 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.689 -6.345 -22.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.106 -4.911 -21.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.624 -4.337 -21.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.716 -4.983 -20.040 1.00 0.00 H new ATOM 1072 N VAL A 67 4.462 -6.412 -17.682 1.00 0.00 N ATOM 1073 CA VAL A 67 5.026 -5.479 -16.696 1.00 0.00 C ATOM 1074 C VAL A 67 5.998 -4.523 -17.386 1.00 0.00 C ATOM 1075 O VAL A 67 6.742 -4.933 -18.279 1.00 0.00 O ATOM 1076 CB VAL A 67 5.753 -6.254 -15.573 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.228 -5.331 -14.442 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.852 -7.325 -14.949 1.00 0.00 C ATOM 0 H VAL A 67 5.143 -7.092 -18.019 1.00 0.00 H new ATOM 0 HA VAL A 67 4.213 -4.905 -16.251 1.00 0.00 H new ATOM 0 HB VAL A 67 6.614 -6.718 -16.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.732 -5.922 -13.678 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.920 -4.590 -14.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.370 -4.824 -14.001 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.398 -7.848 -14.164 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.967 -6.853 -14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.549 -8.037 -15.716 1.00 0.00 H new ATOM 1088 N TYR A 68 6.023 -3.262 -16.949 1.00 0.00 N ATOM 1089 CA TYR A 68 7.062 -2.294 -17.275 1.00 0.00 C ATOM 1090 C TYR A 68 7.469 -1.470 -16.041 1.00 0.00 C ATOM 1091 O TYR A 68 6.664 -1.215 -15.140 1.00 0.00 O ATOM 1092 CB TYR A 68 6.541 -1.396 -18.398 1.00 0.00 C ATOM 1093 CG TYR A 68 7.591 -0.515 -19.043 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.415 -1.034 -20.059 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.751 0.821 -18.622 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.382 -0.216 -20.672 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.723 1.639 -19.225 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.534 1.125 -20.260 1.00 0.00 C ATOM 1099 OH TYR A 68 10.449 1.929 -20.864 1.00 0.00 O ATOM 0 H TYR A 68 5.298 -2.879 -16.342 1.00 0.00 H new ATOM 0 HA TYR A 68 7.960 -2.815 -17.607 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.091 -2.023 -19.167 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.749 -0.762 -18.000 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.305 -2.063 -20.369 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.126 1.217 -17.835 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.007 -0.614 -21.457 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.849 2.660 -18.896 1.00 0.00 H new ATOM 0 HH TYR A 68 10.420 2.820 -20.458 1.00 0.00 H new ATOM 1109 N TYR A 69 8.723 -1.014 -16.039 1.00 0.00 N ATOM 1110 CA TYR A 69 9.347 -0.247 -14.966 1.00 0.00 C ATOM 1111 C TYR A 69 9.861 1.078 -15.532 1.00 0.00 C ATOM 1112 O TYR A 69 10.857 1.118 -16.251 1.00 0.00 O ATOM 1113 CB TYR A 69 10.437 -1.092 -14.291 1.00 0.00 C ATOM 1114 CG TYR A 69 9.870 -2.182 -13.399 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.364 -1.828 -12.135 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.809 -3.525 -13.830 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.791 -2.807 -11.307 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.233 -4.511 -13.000 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.711 -4.149 -11.740 1.00 0.00 C ATOM 1120 OH TYR A 69 8.132 -5.074 -10.925 1.00 0.00 O ATOM 0 H TYR A 69 9.357 -1.178 -16.821 1.00 0.00 H new ATOM 0 HA TYR A 69 8.624 -0.002 -14.188 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.065 -1.546 -15.058 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.079 -0.441 -13.698 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.416 -0.802 -11.801 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.204 -3.799 -14.797 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.410 -2.532 -10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.192 -5.539 -13.328 1.00 0.00 H new ATOM 0 HH TYR A 69 8.165 -5.954 -11.354 1.00 0.00 H new ATOM 1130 N PHE A 70 9.126 2.154 -15.251 1.00 0.00 N ATOM 1131 CA PHE A 70 9.375 3.502 -15.765 1.00 0.00 C ATOM 1132 C PHE A 70 10.130 4.303 -14.698 1.00 0.00 C ATOM 1133 O PHE A 70 9.810 4.214 -13.513 1.00 0.00 O ATOM 1134 CB PHE A 70 8.001 4.100 -16.110 1.00 0.00 C ATOM 1135 CG PHE A 70 7.926 5.492 -16.726 1.00 0.00 C ATOM 1136 CD1 PHE A 70 8.384 6.641 -16.046 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.282 5.647 -17.966 1.00 0.00 C ATOM 1138 CE1 PHE A 70 8.259 7.914 -16.631 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.140 6.921 -18.545 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.640 8.054 -17.887 1.00 0.00 C ATOM 0 H PHE A 70 8.312 2.110 -14.638 1.00 0.00 H new ATOM 0 HA PHE A 70 9.997 3.512 -16.660 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.507 3.411 -16.796 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.411 4.115 -15.194 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.834 6.542 -15.069 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.893 4.780 -18.479 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.638 8.784 -16.116 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.645 7.027 -19.499 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.550 9.029 -18.342 1.00 0.00 H new ATOM 1150 N GLN A 71 11.122 5.111 -15.088 1.00 0.00 N ATOM 1151 CA GLN A 71 11.915 5.875 -14.122 1.00 0.00 C ATOM 1152 C GLN A 71 11.160 7.078 -13.525 1.00 0.00 C ATOM 1153 O GLN A 71 11.312 8.227 -13.938 1.00 0.00 O ATOM 1154 CB GLN A 71 13.330 6.170 -14.654 1.00 0.00 C ATOM 1155 CG GLN A 71 13.452 6.906 -16.005 1.00 0.00 C ATOM 1156 CD GLN A 71 14.910 6.966 -16.478 1.00 0.00 C ATOM 1157 OE1 GLN A 71 15.849 6.959 -15.698 1.00 0.00 O ATOM 1158 NE2 GLN A 71 15.170 7.031 -17.767 1.00 0.00 N ATOM 0 H GLN A 71 11.393 5.252 -16.061 1.00 0.00 H new ATOM 0 HA GLN A 71 12.074 5.239 -13.251 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.854 6.761 -13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.860 5.221 -14.740 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.845 6.398 -16.754 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.057 7.917 -15.907 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.405 7.038 -18.442 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.136 7.074 -18.091 1.00 0.00 H new ATOM 1167 N GLY A 72 10.346 6.783 -12.501 1.00 0.00 N ATOM 1168 CA GLY A 72 9.464 7.701 -11.773 1.00 0.00 C ATOM 1169 C GLY A 72 10.127 8.953 -11.192 1.00 0.00 C ATOM 1170 O GLY A 72 9.436 9.947 -10.981 1.00 0.00 O ATOM 0 H GLY A 72 10.284 5.832 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.666 8.016 -12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.995 7.151 -10.957 1.00 0.00 H new ATOM 1174 N GLY A 73 11.458 8.964 -11.029 1.00 0.00 N ATOM 1175 CA GLY A 73 12.247 10.168 -10.734 1.00 0.00 C ATOM 1176 C GLY A 73 12.167 11.255 -11.820 1.00 0.00 C ATOM 1177 O GLY A 73 12.648 12.371 -11.612 1.00 0.00 O ATOM 0 H GLY A 73 12.027 8.120 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.907 10.589 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.290 9.881 -10.598 1.00 0.00 H new ATOM 1181 N ASN A 74 11.561 10.950 -12.977 1.00 0.00 N ATOM 1182 CA ASN A 74 11.148 11.921 -13.984 1.00 0.00 C ATOM 1183 C ASN A 74 9.801 12.600 -13.671 1.00 0.00 C ATOM 1184 O ASN A 74 9.549 13.662 -14.237 1.00 0.00 O ATOM 1185 CB ASN A 74 11.081 11.199 -15.347 1.00 0.00 C ATOM 1186 CG ASN A 74 11.328 12.083 -16.563 1.00 0.00 C ATOM 1187 OD1 ASN A 74 11.762 11.600 -17.594 1.00 0.00 O ATOM 1188 ND2 ASN A 74 11.056 13.369 -16.516 1.00 0.00 N ATOM 0 H ASN A 74 11.341 9.989 -13.240 1.00 0.00 H new ATOM 0 HA ASN A 74 11.884 12.725 -13.996 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.814 10.393 -15.349 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.099 10.737 -15.447 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.209 13.953 -17.338 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.692 13.782 -15.657 1.00 0.00 H new ATOM 1195 N ASN A 75 8.919 11.990 -12.860 1.00 0.00 N ATOM 1196 CA ASN A 75 7.481 12.284 -12.671 1.00 0.00 C ATOM 1197 C ASN A 75 6.623 12.251 -13.964 1.00 0.00 C ATOM 1198 O ASN A 75 5.414 12.028 -13.895 1.00 0.00 O ATOM 1199 CB ASN A 75 7.341 13.616 -11.897 1.00 0.00 C ATOM 1200 CG ASN A 75 6.033 13.839 -11.133 1.00 0.00 C ATOM 1201 OD1 ASN A 75 6.021 14.553 -10.140 1.00 0.00 O ATOM 1202 ND2 ASN A 75 4.902 13.308 -11.562 1.00 0.00 N ATOM 0 H ASN A 75 9.215 11.213 -12.269 1.00 0.00 H new ATOM 0 HA ASN A 75 7.062 11.467 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.165 13.684 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.464 14.435 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.030 13.495 -11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.900 12.711 -12.389 1.00 0.00 H new ATOM 1209 N GLU A 76 7.227 12.445 -15.138 1.00 0.00 N ATOM 1210 CA GLU A 76 6.603 12.703 -16.435 1.00 0.00 C ATOM 1211 C GLU A 76 5.567 11.693 -16.933 1.00 0.00 C ATOM 1212 O GLU A 76 4.815 12.061 -17.828 1.00 0.00 O ATOM 1213 CB GLU A 76 7.703 12.868 -17.496 1.00 0.00 C ATOM 1214 CG GLU A 76 8.164 14.324 -17.656 1.00 0.00 C ATOM 1215 CD GLU A 76 7.050 15.226 -18.200 1.00 0.00 C ATOM 1216 OE1 GLU A 76 6.344 14.820 -19.162 1.00 0.00 O ATOM 1217 OE2 GLU A 76 6.827 16.298 -17.598 1.00 0.00 O ATOM 0 H GLU A 76 8.244 12.424 -15.211 1.00 0.00 H new ATOM 0 HA GLU A 76 6.023 13.612 -16.275 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.558 12.249 -17.225 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.335 12.501 -18.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.500 14.705 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.020 14.361 -18.329 1.00 0.00 H new ATOM 1224 N LEU A 77 5.425 10.496 -16.349 1.00 0.00 N ATOM 1225 CA LEU A 77 4.261 9.643 -16.628 1.00 0.00 C ATOM 1226 C LEU A 77 2.932 10.342 -16.261 1.00 0.00 C ATOM 1227 O LEU A 77 1.895 10.051 -16.855 1.00 0.00 O ATOM 1228 CB LEU A 77 4.436 8.286 -15.928 1.00 0.00 C ATOM 1229 CG LEU A 77 3.419 7.206 -16.351 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.461 6.873 -17.848 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.736 5.914 -15.600 1.00 0.00 C ATOM 0 H LEU A 77 6.093 10.099 -15.688 1.00 0.00 H new ATOM 0 HA LEU A 77 4.205 9.461 -17.701 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.442 7.917 -16.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.360 8.436 -14.851 1.00 0.00 H new ATOM 0 HG LEU A 77 2.432 7.606 -16.119 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.719 6.106 -18.071 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.241 7.770 -18.427 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.453 6.506 -18.111 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.024 5.141 -15.889 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.746 5.588 -15.847 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.664 6.090 -14.527 1.00 0.00 H new ATOM 1243 N GLY A 78 2.972 11.348 -15.371 1.00 0.00 N ATOM 1244 CA GLY A 78 1.896 12.321 -15.166 1.00 0.00 C ATOM 1245 C GLY A 78 1.402 12.976 -16.465 1.00 0.00 C ATOM 1246 O GLY A 78 0.213 13.253 -16.587 1.00 0.00 O ATOM 0 H GLY A 78 3.774 11.507 -14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.057 11.825 -14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.246 13.099 -14.487 1.00 0.00 H new ATOM 1250 N THR A 79 2.276 13.183 -17.458 1.00 0.00 N ATOM 1251 CA THR A 79 1.916 13.698 -18.790 1.00 0.00 C ATOM 1252 C THR A 79 1.019 12.720 -19.566 1.00 0.00 C ATOM 1253 O THR A 79 0.262 13.164 -20.424 1.00 0.00 O ATOM 1254 CB THR A 79 3.195 14.057 -19.580 1.00 0.00 C ATOM 1255 OG1 THR A 79 3.941 14.995 -18.831 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.939 14.707 -20.941 1.00 0.00 C ATOM 0 H THR A 79 3.273 12.994 -17.359 1.00 0.00 H new ATOM 0 HA THR A 79 1.328 14.606 -18.656 1.00 0.00 H new ATOM 0 HB THR A 79 3.711 13.111 -19.747 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.814 15.131 -19.254 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.891 14.925 -21.425 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.361 14.026 -21.566 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.382 15.634 -20.803 1.00 0.00 H new ATOM 1264 N ALA A 80 1.036 11.417 -19.241 1.00 0.00 N ATOM 1265 CA ALA A 80 0.081 10.438 -19.755 1.00 0.00 C ATOM 1266 C ALA A 80 -1.180 10.306 -18.894 1.00 0.00 C ATOM 1267 O ALA A 80 -2.271 10.177 -19.445 1.00 0.00 O ATOM 1268 CB ALA A 80 0.765 9.071 -19.897 1.00 0.00 C ATOM 0 H ALA A 80 1.725 11.015 -18.605 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.247 10.802 -20.729 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.049 8.344 -20.281 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.604 9.154 -20.588 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.129 8.743 -18.923 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.042 10.302 -17.559 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.132 9.886 -16.655 1.00 0.00 C ATOM 1276 C VAL A 81 -2.905 11.031 -15.989 1.00 0.00 C ATOM 1277 O VAL A 81 -3.964 10.782 -15.414 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.635 8.892 -15.590 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.921 7.690 -16.219 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.716 9.502 -14.526 1.00 0.00 C ATOM 0 H VAL A 81 -0.187 10.582 -17.079 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.848 9.395 -17.314 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.548 8.572 -15.088 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.586 7.013 -15.433 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.608 7.164 -16.882 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.060 8.036 -16.790 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.415 8.729 -13.818 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.169 9.919 -15.006 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.248 10.292 -13.996 1.00 0.00 H new ATOM 1290 N GLY A 82 -2.397 12.268 -16.050 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.937 13.425 -15.335 1.00 0.00 C ATOM 1292 C GLY A 82 -1.852 14.087 -14.488 1.00 0.00 C ATOM 1293 O GLY A 82 -1.492 13.572 -13.432 1.00 0.00 O ATOM 0 H GLY A 82 -1.578 12.495 -16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.339 14.145 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.764 13.112 -14.697 1.00 0.00 H new ATOM 1297 N LYS A 83 -1.323 15.232 -14.943 1.00 0.00 N ATOM 1298 CA LYS A 83 -0.086 15.869 -14.445 1.00 0.00 C ATOM 1299 C LYS A 83 -0.106 16.324 -12.970 1.00 0.00 C ATOM 1300 O LYS A 83 0.921 16.741 -12.431 1.00 0.00 O ATOM 1301 CB LYS A 83 0.295 16.999 -15.422 1.00 0.00 C ATOM 1302 CG LYS A 83 1.810 17.251 -15.464 1.00 0.00 C ATOM 1303 CD LYS A 83 2.195 18.101 -16.688 1.00 0.00 C ATOM 1304 CE LYS A 83 3.712 18.273 -16.835 1.00 0.00 C ATOM 1305 NZ LYS A 83 4.389 16.967 -16.977 1.00 0.00 N ATOM 0 H LYS A 83 -1.758 15.763 -15.697 1.00 0.00 H new ATOM 0 HA LYS A 83 0.689 15.102 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.056 16.745 -16.422 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.215 17.917 -15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.123 17.758 -14.552 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.340 16.299 -15.497 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.797 17.634 -17.589 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.728 19.083 -16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.927 18.893 -17.705 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.107 18.797 -15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.391 17.119 -17.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.317 16.440 -16.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.936 16.422 -17.738 1.00 0.00 H new ATOM 1319 N LEU A 84 -1.254 16.182 -12.303 1.00 0.00 N ATOM 1320 CA LEU A 84 -1.440 16.206 -10.852 1.00 0.00 C ATOM 1321 C LEU A 84 -0.672 15.076 -10.137 1.00 0.00 C ATOM 1322 O LEU A 84 -0.170 15.307 -9.033 1.00 0.00 O ATOM 1323 CB LEU A 84 -2.958 16.136 -10.586 1.00 0.00 C ATOM 1324 CG LEU A 84 -3.375 16.211 -9.099 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -4.735 16.904 -8.971 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -3.510 14.824 -8.456 1.00 0.00 C ATOM 0 H LEU A 84 -2.135 16.038 -12.796 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.025 17.126 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.442 16.952 -11.123 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.341 15.206 -11.007 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.589 16.767 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.021 16.953 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.668 17.914 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.485 16.339 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.804 14.934 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.267 14.248 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.554 14.303 -8.510 1.00 0.00 H new ATOM 1338 N PHE A 85 -0.552 13.891 -10.750 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.011 12.685 -10.118 1.00 0.00 C ATOM 1340 C PHE A 85 1.494 12.732 -9.801 1.00 0.00 C ATOM 1341 O PHE A 85 2.304 13.357 -10.491 1.00 0.00 O ATOM 1342 CB PHE A 85 -0.332 11.450 -10.981 1.00 0.00 C ATOM 1343 CG PHE A 85 -1.665 10.808 -10.644 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -2.865 11.341 -11.150 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -1.703 9.688 -9.789 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -4.097 10.763 -10.799 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -2.937 9.108 -9.441 1.00 0.00 C ATOM 1348 CZ PHE A 85 -4.134 9.647 -9.944 1.00 0.00 C ATOM 0 H PHE A 85 -0.835 13.743 -11.719 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.505 12.621 -9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.333 11.741 -12.032 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.460 10.712 -10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.839 12.196 -11.809 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.784 9.275 -9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.017 11.176 -11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.964 8.249 -8.787 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.081 9.204 -9.674 1.00 0.00 H new ATOM 1358 N ARG A 86 1.849 11.949 -8.776 1.00 0.00 N ATOM 1359 CA ARG A 86 3.191 11.508 -8.372 1.00 0.00 C ATOM 1360 C ARG A 86 3.161 9.973 -8.270 1.00 0.00 C ATOM 1361 O ARG A 86 2.093 9.389 -8.443 1.00 0.00 O ATOM 1362 CB ARG A 86 3.600 12.157 -7.023 1.00 0.00 C ATOM 1363 CG ARG A 86 3.226 13.641 -6.833 1.00 0.00 C ATOM 1364 CD ARG A 86 3.840 14.573 -7.885 1.00 0.00 C ATOM 1365 NE ARG A 86 2.856 15.562 -8.362 1.00 0.00 N ATOM 1366 CZ ARG A 86 2.921 16.278 -9.477 1.00 0.00 C ATOM 1367 NH1 ARG A 86 3.988 16.350 -10.231 1.00 0.00 N ATOM 1368 NH2 ARG A 86 1.854 16.916 -9.874 1.00 0.00 N ATOM 0 H ARG A 86 1.138 11.572 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 86 3.935 11.818 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.143 11.584 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.680 12.060 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.141 13.739 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.548 13.963 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.701 15.089 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.205 13.985 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 86 2.038 15.712 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.831 15.838 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.977 16.918 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.993 16.858 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.881 17.473 -10.728 1.00 0.00 H new ATOM 1382 N VAL A 87 4.304 9.336 -7.967 1.00 0.00 N ATOM 1383 CA VAL A 87 4.465 7.876 -7.758 1.00 0.00 C ATOM 1384 C VAL A 87 3.603 7.027 -8.714 1.00 0.00 C ATOM 1385 O VAL A 87 2.627 6.385 -8.328 1.00 0.00 O ATOM 1386 CB VAL A 87 4.298 7.482 -6.268 1.00 0.00 C ATOM 1387 CG1 VAL A 87 5.514 7.958 -5.461 1.00 0.00 C ATOM 1388 CG2 VAL A 87 3.026 8.014 -5.588 1.00 0.00 C ATOM 0 H VAL A 87 5.183 9.841 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 87 5.495 7.638 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 87 4.212 6.395 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.389 7.677 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.417 7.493 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.600 9.042 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.003 7.684 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.024 9.103 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.148 7.633 -6.109 1.00 0.00 H new ATOM 1398 N GLY A 88 3.978 7.046 -9.997 1.00 0.00 N ATOM 1399 CA GLY A 88 3.165 6.595 -11.123 1.00 0.00 C ATOM 1400 C GLY A 88 3.051 5.076 -11.235 1.00 0.00 C ATOM 1401 O GLY A 88 3.649 4.481 -12.128 1.00 0.00 O ATOM 0 H GLY A 88 4.893 7.390 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.165 7.019 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.592 6.987 -12.046 1.00 0.00 H new ATOM 1405 N VAL A 89 2.262 4.451 -10.357 1.00 0.00 N ATOM 1406 CA VAL A 89 1.794 3.072 -10.535 1.00 0.00 C ATOM 1407 C VAL A 89 0.472 3.066 -11.315 1.00 0.00 C ATOM 1408 O VAL A 89 -0.531 3.651 -10.893 1.00 0.00 O ATOM 1409 CB VAL A 89 1.766 2.303 -9.199 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.556 2.575 -8.299 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.850 0.801 -9.465 1.00 0.00 C ATOM 0 H VAL A 89 1.928 4.889 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 89 2.506 2.516 -11.145 1.00 0.00 H new ATOM 0 HB VAL A 89 2.632 2.674 -8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.640 1.982 -7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.525 3.634 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.358 2.303 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.830 0.262 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.002 0.492 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.778 0.576 -9.991 1.00 0.00 H new ATOM 1421 N VAL A 90 0.510 2.458 -12.504 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.521 2.539 -13.548 1.00 0.00 C ATOM 1423 C VAL A 90 -0.823 1.134 -14.056 1.00 0.00 C ATOM 1424 O VAL A 90 0.022 0.233 -13.993 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.041 3.424 -14.728 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.125 3.695 -15.787 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.538 4.765 -14.256 1.00 0.00 C ATOM 0 H VAL A 90 1.295 1.868 -12.780 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.419 2.988 -13.124 1.00 0.00 H new ATOM 0 HB VAL A 90 0.745 2.832 -15.198 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.712 4.320 -16.579 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.464 2.750 -16.211 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.968 4.207 -15.322 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.859 5.347 -15.120 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.225 5.319 -13.709 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.392 4.583 -13.603 1.00 0.00 H new ATOM 1437 N SER A 91 -2.009 0.903 -14.611 1.00 0.00 N ATOM 1438 CA SER A 91 -2.230 -0.264 -15.464 1.00 0.00 C ATOM 1439 C SER A 91 -3.238 0.036 -16.571 1.00 0.00 C ATOM 1440 O SER A 91 -4.073 0.928 -16.431 1.00 0.00 O ATOM 1441 CB SER A 91 -2.649 -1.463 -14.611 1.00 0.00 C ATOM 1442 OG SER A 91 -1.751 -1.634 -13.525 1.00 0.00 O ATOM 0 H SER A 91 -2.826 1.501 -14.488 1.00 0.00 H new ATOM 0 HA SER A 91 -1.294 -0.516 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.661 -1.314 -14.235 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.666 -2.365 -15.223 1.00 0.00 H new ATOM 0 HG SER A 91 -0.870 -1.280 -13.770 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.147 -0.720 -17.666 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.957 -0.601 -18.878 1.00 0.00 C ATOM 1450 C ILE A 92 -4.718 -1.912 -19.097 1.00 0.00 C ATOM 1451 O ILE A 92 -4.160 -3.009 -18.966 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.075 -0.251 -20.098 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.171 0.986 -19.884 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -3.937 -0.062 -21.359 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.908 2.312 -19.681 1.00 0.00 C ATOM 0 H ILE A 92 -2.466 -1.476 -17.734 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.674 0.211 -18.760 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.407 -1.102 -20.231 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.537 0.806 -19.016 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.511 1.085 -20.745 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.295 0.184 -22.205 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.479 -0.984 -21.571 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.648 0.748 -21.196 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.183 3.113 -19.540 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.520 2.526 -20.557 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.547 2.242 -18.801 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.001 -1.766 -19.432 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.967 -2.833 -19.622 1.00 0.00 C ATOM 1469 C LEU A 93 -7.321 -2.899 -21.119 1.00 0.00 C ATOM 1470 O LEU A 93 -6.502 -3.341 -21.928 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.175 -2.592 -18.686 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.924 -2.540 -17.161 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.406 -1.189 -16.643 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.255 -2.794 -16.443 1.00 0.00 C ATOM 0 H LEU A 93 -6.410 -0.844 -19.585 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.569 -3.810 -19.349 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.639 -1.650 -18.979 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.905 -3.379 -18.876 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.159 -3.290 -16.961 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.259 -1.245 -15.564 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.458 -0.953 -17.127 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.133 -0.409 -16.870 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.099 -2.761 -15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.975 -2.027 -16.729 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.639 -3.775 -16.724 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.494 -2.401 -21.523 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.919 -2.301 -22.916 1.00 0.00 C ATOM 1488 C GLU A 94 -8.231 -1.097 -23.583 1.00 0.00 C ATOM 1489 O GLU A 94 -8.801 -0.013 -23.716 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.458 -2.225 -23.021 1.00 0.00 C ATOM 1491 CG GLU A 94 -11.204 -3.374 -22.312 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.596 -3.043 -20.864 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.835 -2.349 -20.154 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.704 -3.441 -20.424 1.00 0.00 O ATOM 0 H GLU A 94 -9.191 -2.047 -20.868 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.614 -3.201 -23.450 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.792 -1.277 -22.600 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.738 -2.222 -24.074 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.103 -3.617 -22.878 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.574 -4.264 -22.316 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.980 -1.302 -24.008 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.043 -0.340 -24.603 1.00 0.00 C ATOM 1503 C ALA A 95 -6.471 0.338 -25.927 1.00 0.00 C ATOM 1504 O ALA A 95 -5.614 0.921 -26.584 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.726 -1.079 -24.831 1.00 0.00 C ATOM 0 H ALA A 95 -6.559 -2.228 -23.939 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.981 0.487 -23.896 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.999 -0.398 -25.274 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.346 -1.447 -23.878 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.892 -1.920 -25.504 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.737 0.212 -26.349 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.244 0.238 -27.731 1.00 0.00 C ATOM 1513 C GLY A 96 -8.055 1.516 -28.563 1.00 0.00 C ATOM 1514 O GLY A 96 -9.026 2.024 -29.116 1.00 0.00 O ATOM 0 H GLY A 96 -8.495 0.078 -25.680 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.771 -0.581 -28.272 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.312 0.022 -27.695 1.00 0.00 H new ATOM 1518 N ASP A 97 -6.816 1.987 -28.702 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.416 3.156 -29.481 1.00 0.00 C ATOM 1520 C ASP A 97 -5.092 2.848 -30.210 1.00 0.00 C ATOM 1521 O ASP A 97 -5.072 2.767 -31.435 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.308 4.364 -28.536 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.560 5.690 -29.242 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.734 6.117 -30.081 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.601 6.330 -28.934 1.00 0.00 O ATOM 0 H ASP A 97 -6.021 1.537 -28.248 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.156 3.398 -30.244 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.025 4.249 -27.723 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.315 4.380 -28.086 1.00 0.00 H new ATOM 1530 N SER A 98 -4.000 2.618 -29.459 1.00 0.00 N ATOM 1531 CA SER A 98 -2.776 1.961 -29.942 1.00 0.00 C ATOM 1532 C SER A 98 -2.583 0.567 -29.335 1.00 0.00 C ATOM 1533 O SER A 98 -2.964 0.266 -28.207 1.00 0.00 O ATOM 1534 CB SER A 98 -1.554 2.891 -29.786 1.00 0.00 C ATOM 1535 OG SER A 98 -0.272 2.263 -29.779 1.00 0.00 O ATOM 0 H SER A 98 -3.945 2.891 -28.478 1.00 0.00 H new ATOM 0 HA SER A 98 -2.887 1.780 -31.011 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.573 3.618 -30.598 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.666 3.448 -28.856 1.00 0.00 H new ATOM 0 HG SER A 98 -0.197 1.664 -30.551 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.826 -0.226 -30.081 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.213 -1.535 -29.876 1.00 0.00 C ATOM 1543 C ASP A 99 -0.348 -1.715 -28.608 1.00 0.00 C ATOM 1544 O ASP A 99 0.272 -2.771 -28.472 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.296 -1.699 -31.110 1.00 0.00 C ATOM 1546 CG ASP A 99 0.728 -0.549 -31.185 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.318 0.610 -31.457 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.909 -0.748 -30.814 1.00 0.00 O ATOM 0 H ASP A 99 -1.586 0.099 -31.018 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.010 -2.268 -29.748 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.226 -2.654 -31.057 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -0.899 -1.715 -32.018 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.252 -0.722 -27.704 1.00 0.00 N ATOM 1554 CA ILE A 100 0.871 -0.591 -26.755 1.00 0.00 C ATOM 1555 C ILE A 100 1.245 -1.901 -26.062 1.00 0.00 C ATOM 1556 O ILE A 100 2.411 -2.274 -26.055 1.00 0.00 O ATOM 1557 CB ILE A 100 0.680 0.567 -25.742 1.00 0.00 C ATOM 1558 CG1 ILE A 100 2.053 0.972 -25.163 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.268 0.223 -24.574 1.00 0.00 C ATOM 1560 CD1 ILE A 100 2.021 2.250 -24.321 1.00 0.00 C ATOM 0 H ILE A 100 -0.952 0.014 -27.611 1.00 0.00 H new ATOM 0 HA ILE A 100 1.727 -0.325 -27.376 1.00 0.00 H new ATOM 0 HB ILE A 100 0.220 1.385 -26.295 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.433 0.155 -24.550 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.757 1.108 -25.984 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.351 1.082 -23.908 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.253 -0.028 -24.967 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.130 -0.628 -24.021 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.023 2.467 -23.951 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.673 3.081 -24.934 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.344 2.113 -23.478 1.00 0.00 H new ATOM 1572 N LEU A 101 0.265 -2.637 -25.543 1.00 0.00 N ATOM 1573 CA LEU A 101 0.483 -3.827 -24.734 1.00 0.00 C ATOM 1574 C LEU A 101 0.659 -5.147 -25.502 1.00 0.00 C ATOM 1575 O LEU A 101 0.774 -6.194 -24.867 1.00 0.00 O ATOM 1576 CB LEU A 101 -0.454 -3.831 -23.525 1.00 0.00 C ATOM 1577 CG LEU A 101 -1.963 -4.020 -23.703 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -2.695 -3.204 -22.630 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.546 -3.623 -25.042 1.00 0.00 C ATOM 0 H LEU A 101 -0.722 -2.416 -25.678 1.00 0.00 H new ATOM 0 HA LEU A 101 1.490 -3.759 -24.322 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.109 -4.619 -22.855 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.309 -2.884 -23.004 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.108 -5.097 -23.622 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.771 -3.331 -22.747 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.394 -3.550 -21.641 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.440 -2.150 -22.738 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.621 -3.805 -25.039 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.358 -2.564 -25.221 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.080 -4.213 -25.831 1.00 0.00 H new ATOM 1591 N THR A 102 0.792 -5.095 -26.835 1.00 0.00 N ATOM 1592 CA THR A 102 1.541 -6.110 -27.602 1.00 0.00 C ATOM 1593 C THR A 102 2.907 -5.621 -28.124 1.00 0.00 C ATOM 1594 O THR A 102 3.636 -6.431 -28.696 1.00 0.00 O ATOM 1595 CB THR A 102 0.692 -6.724 -28.730 1.00 0.00 C ATOM 1596 OG1 THR A 102 1.417 -7.786 -29.306 1.00 0.00 O ATOM 1597 CG2 THR A 102 0.314 -5.751 -29.850 1.00 0.00 C ATOM 0 H THR A 102 0.389 -4.356 -27.411 1.00 0.00 H new ATOM 0 HA THR A 102 1.766 -6.899 -26.884 1.00 0.00 H new ATOM 0 HB THR A 102 -0.241 -7.044 -28.266 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.375 -7.582 -29.277 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.283 -6.272 -30.599 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.264 -4.926 -29.435 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.220 -5.362 -30.315 1.00 0.00 H new ATOM 1605 N THR A 103 3.251 -4.336 -27.958 1.00 0.00 N ATOM 1606 CA THR A 103 4.473 -3.704 -28.494 1.00 0.00 C ATOM 1607 C THR A 103 5.524 -3.399 -27.413 1.00 0.00 C ATOM 1608 O THR A 103 6.723 -3.526 -27.642 1.00 0.00 O ATOM 1609 CB THR A 103 4.081 -2.420 -29.247 1.00 0.00 C ATOM 1610 OG1 THR A 103 3.192 -2.738 -30.289 1.00 0.00 O ATOM 1611 CG2 THR A 103 5.259 -1.682 -29.886 1.00 0.00 C ATOM 0 H THR A 103 2.670 -3.684 -27.431 1.00 0.00 H new ATOM 0 HA THR A 103 4.943 -4.416 -29.173 1.00 0.00 H new ATOM 0 HB THR A 103 3.639 -1.769 -28.493 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.399 -2.166 -30.228 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.896 -0.790 -30.396 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.971 -1.394 -29.112 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.751 -2.336 -30.606 1.00 0.00 H new ATOM 1619 N LEU A 104 5.074 -2.941 -26.243 1.00 0.00 N ATOM 1620 CA LEU A 104 5.858 -2.288 -25.197 1.00 0.00 C ATOM 1621 C LEU A 104 6.603 -3.302 -24.313 1.00 0.00 C ATOM 1622 O LEU A 104 6.180 -3.632 -23.197 1.00 0.00 O ATOM 1623 CB LEU A 104 4.893 -1.356 -24.444 1.00 0.00 C ATOM 1624 CG LEU A 104 5.426 -0.364 -23.387 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.748 -0.641 -22.043 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.945 -0.304 -23.211 1.00 0.00 C ATOM 0 H LEU A 104 4.090 -3.022 -25.986 1.00 0.00 H new ATOM 0 HA LEU A 104 6.669 -1.690 -25.613 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.360 -0.771 -25.194 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.156 -1.988 -23.949 1.00 0.00 H new ATOM 0 HG LEU A 104 5.169 0.622 -23.775 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.123 0.058 -21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.670 -0.518 -22.147 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.968 -1.661 -21.728 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.194 0.428 -22.442 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.316 -1.285 -22.912 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.409 -0.012 -24.153 1.00 0.00 H new ATOM 1638 N ALA A 105 7.747 -3.758 -24.833 1.00 0.00 N ATOM 1639 CA ALA A 105 8.819 -4.422 -24.090 1.00 0.00 C ATOM 1640 C ALA A 105 9.383 -3.525 -22.974 1.00 0.00 C ATOM 1641 O ALA A 105 9.781 -2.379 -23.273 1.00 0.00 O ATOM 1642 CB ALA A 105 9.904 -4.860 -25.081 1.00 0.00 C ATOM 1643 OXT ALA A 105 9.350 -4.001 -21.816 1.00 0.00 O ATOM 0 H ALA A 105 7.959 -3.670 -25.827 1.00 0.00 H new ATOM 0 HA ALA A 105 8.418 -5.302 -23.587 1.00 0.00 H new ATOM 0 HB1 ALA A 105 10.710 -5.357 -24.542 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.475 -5.549 -25.808 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.299 -3.986 -25.598 1.00 0.00 H new TER 1649 ALA A 105