USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 869 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 126 SER OG : rot -74:sc= 0.0611 USER MOD Set 1.2: A 130 GLN : amide:sc= 0.0602 X(o=0.12,f=0) USER MOD Set 2.1: A 92 TYR OH : rot 179:sc= 0.147 USER MOD Set 2.2: A 118 ASN : amide:sc= -0.204 X(o=-0.057,f=0.11) USER MOD Set 3.1: A 68 LYS NZ :NH3+ -152:sc= -0.144 (180deg=-0.595) USER MOD Set 3.2: A 79 CYS SG : rot 46:sc= -6.47! USER MOD Set 4.1: A 53 MET CE :methyl -141:sc= -0.63 (180deg=-1.87) USER MOD Set 4.2: A 71 MET CE :methyl 171:sc= -0.438 (180deg=0) USER MOD Set 5.1: A 21 CYS SG : rot 28:sc= -2.73 USER MOD Set 5.2: A 23 GLN :FLIP amide:sc= 0.396 F(o=-3.6,f=-2.3) USER MOD Set 6.1: A 17 THR OG1 : rot -130:sc= -0.228 USER MOD Set 6.2: A 47 HIS :FLIP no HD1:sc= -2.98! C(o=-7.7!,f=-5.9!) USER MOD Set 6.3: A 48 ASN : amide:sc= -1.77 K(o=-5.9,f=-13!) USER MOD Set 6.4: A 51 MET CE :methyl 163:sc= -0.97! (180deg=-2.2!) USER MOD Single : A 7 SER OG : rot -106:sc= -0.0466 USER MOD Single : A 8 TYR OH : rot 17:sc= 0.0498 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.34 X(o=-2.3,f=-2.5) USER MOD Single : A 19 SER OG : rot 165:sc= -1.27! USER MOD Single : A 20 SER OG : rot 62:sc= -0.544 USER MOD Single : A 38 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.75) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.01 F(o=-2.4,f=-1) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 178:sc= -5.07! (180deg=-5.19!) USER MOD Single : A 70 SER OG : rot -43:sc= 0.851 USER MOD Single : A 72 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 72:sc= 1.36 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.4) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 7:sc= 0.525 USER MOD Single : A 94 CYS SG : rot 54:sc= -5.36 USER MOD Single : A 96 THR OG1 : rot 100:sc= -0.343 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.291) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.559 F(o=-1.3,f=-0.56) USER MOD Single : A 115 TYR OH : rot 150:sc= -0.51 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 177:sc= -1.5! USER MOD Single : A 121 ASN : amide:sc= -0.393 K(o=-0.39,f=-3.9!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS :FLIP no HD1:sc= -14.3! C(o=-16!,f=-14!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.714 -7.726 -3.539 1.00 0.00 N ATOM 101 CA VAL A 6 3.046 -7.439 -2.276 1.00 0.00 C ATOM 102 C VAL A 6 3.112 -8.647 -1.347 1.00 0.00 C ATOM 103 O VAL A 6 3.215 -9.788 -1.802 1.00 0.00 O ATOM 104 CB VAL A 6 1.575 -7.024 -2.494 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.854 -6.858 -1.168 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.495 -5.741 -3.303 1.00 0.00 C ATOM 0 HA VAL A 6 3.570 -6.603 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 6 1.082 -7.819 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.180 -6.565 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.873 -7.802 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.350 -6.088 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.450 -5.465 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.011 -4.942 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.966 -5.893 -4.274 1.00 0.00 H new ATOM 116 N SER A 7 3.068 -8.390 -0.045 1.00 0.00 N ATOM 117 CA SER A 7 3.142 -9.456 0.945 1.00 0.00 C ATOM 118 C SER A 7 1.758 -9.885 1.424 1.00 0.00 C ATOM 119 O SER A 7 1.297 -10.982 1.109 1.00 0.00 O ATOM 120 CB SER A 7 3.990 -9.010 2.138 1.00 0.00 C ATOM 121 OG SER A 7 4.857 -10.046 2.564 1.00 0.00 O ATOM 0 H SER A 7 2.982 -7.453 0.349 1.00 0.00 H new ATOM 0 HA SER A 7 3.610 -10.316 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.575 -8.132 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.339 -8.715 2.961 1.00 0.00 H new ATOM 0 HG SER A 7 4.524 -10.427 3.403 1.00 0.00 H new ATOM 127 N TYR A 8 1.109 -9.023 2.198 1.00 0.00 N ATOM 128 CA TYR A 8 -0.213 -9.328 2.732 1.00 0.00 C ATOM 129 C TYR A 8 -1.198 -8.201 2.450 1.00 0.00 C ATOM 130 O TYR A 8 -1.081 -7.113 3.007 1.00 0.00 O ATOM 131 CB TYR A 8 -0.120 -9.573 4.233 1.00 0.00 C ATOM 132 CG TYR A 8 0.998 -10.511 4.631 1.00 0.00 C ATOM 133 CD1 TYR A 8 2.233 -10.018 5.029 1.00 0.00 C ATOM 134 CD2 TYR A 8 0.818 -11.891 4.608 1.00 0.00 C ATOM 135 CE1 TYR A 8 3.258 -10.870 5.393 1.00 0.00 C ATOM 136 CE2 TYR A 8 1.838 -12.748 4.972 1.00 0.00 C ATOM 137 CZ TYR A 8 3.055 -12.235 5.362 1.00 0.00 C ATOM 138 OH TYR A 8 4.075 -13.085 5.724 1.00 0.00 O ATOM 0 H TYR A 8 1.475 -8.110 2.469 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.579 -10.227 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.022 -8.618 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.067 -9.982 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.395 -8.951 5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.134 -12.298 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.213 -10.470 5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.682 -13.816 4.951 1.00 0.00 H new ATOM 0 HH TYR A 8 4.757 -12.585 6.219 1.00 0.00 H new ATOM 148 N VAL A 9 -2.176 -8.469 1.594 1.00 0.00 N ATOM 149 CA VAL A 9 -3.177 -7.454 1.255 1.00 0.00 C ATOM 150 C VAL A 9 -4.499 -7.726 1.958 1.00 0.00 C ATOM 151 O VAL A 9 -5.302 -8.534 1.498 1.00 0.00 O ATOM 152 CB VAL A 9 -3.433 -7.358 -0.264 1.00 0.00 C ATOM 153 CG1 VAL A 9 -4.031 -6.003 -0.613 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.153 -7.603 -1.054 1.00 0.00 C ATOM 0 H VAL A 9 -2.301 -9.366 1.125 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.765 -6.504 1.596 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.146 -8.135 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.207 -5.949 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.975 -5.875 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.340 -5.213 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.364 -7.529 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.407 -6.857 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.771 -8.598 -0.828 1.00 0.00 H new ATOM 164 N GLU A 10 -4.715 -7.043 3.075 1.00 0.00 N ATOM 165 CA GLU A 10 -5.939 -7.209 3.850 1.00 0.00 C ATOM 166 C GLU A 10 -6.936 -6.090 3.574 1.00 0.00 C ATOM 167 O GLU A 10 -6.698 -4.933 3.924 1.00 0.00 O ATOM 168 CB GLU A 10 -5.615 -7.238 5.342 1.00 0.00 C ATOM 169 CG GLU A 10 -6.533 -8.142 6.149 1.00 0.00 C ATOM 170 CD GLU A 10 -5.777 -9.027 7.120 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.051 -10.243 7.154 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.910 -8.500 7.851 1.00 0.00 O ATOM 0 H GLU A 10 -4.058 -6.368 3.465 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.392 -8.154 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.585 -7.569 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.678 -6.224 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.246 -7.529 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.111 -8.767 5.468 1.00 0.00 H new ATOM 179 N VAL A 11 -8.067 -6.444 2.974 1.00 0.00 N ATOM 180 CA VAL A 11 -9.109 -5.470 2.690 1.00 0.00 C ATOM 181 C VAL A 11 -9.981 -5.294 3.924 1.00 0.00 C ATOM 182 O VAL A 11 -9.985 -6.151 4.806 1.00 0.00 O ATOM 183 CB VAL A 11 -9.987 -5.906 1.502 1.00 0.00 C ATOM 184 CG1 VAL A 11 -10.965 -4.806 1.119 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.121 -6.294 0.317 1.00 0.00 C ATOM 0 H VAL A 11 -8.283 -7.395 2.677 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.629 -4.528 2.425 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.565 -6.779 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.574 -5.137 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.610 -4.581 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.412 -3.910 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.757 -6.600 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.514 -5.440 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.469 -7.121 0.598 1.00 0.00 H new ATOM 195 N ILE A 12 -10.700 -4.183 4.005 1.00 0.00 N ATOM 196 CA ILE A 12 -11.544 -3.929 5.165 1.00 0.00 C ATOM 197 C ILE A 12 -12.865 -3.277 4.779 1.00 0.00 C ATOM 198 O ILE A 12 -12.891 -2.207 4.185 1.00 0.00 O ATOM 199 CB ILE A 12 -10.815 -3.027 6.180 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.682 -3.799 6.853 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.779 -2.495 7.224 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.365 -3.690 6.127 1.00 0.00 C ATOM 0 H ILE A 12 -10.717 -3.453 3.293 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.757 -4.898 5.617 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.395 -2.178 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.558 -3.431 7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.962 -4.850 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.240 -1.862 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.559 -1.912 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.232 -3.329 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.607 -4.262 6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.473 -4.084 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.062 -2.644 6.078 1.00 0.00 H new ATOM 214 N LYS A 13 -13.962 -3.928 5.136 1.00 0.00 N ATOM 215 CA LYS A 13 -15.287 -3.400 4.837 1.00 0.00 C ATOM 216 C LYS A 13 -15.943 -2.805 6.082 1.00 0.00 C ATOM 217 O LYS A 13 -16.512 -3.527 6.901 1.00 0.00 O ATOM 218 CB LYS A 13 -16.184 -4.497 4.258 1.00 0.00 C ATOM 219 CG LYS A 13 -17.587 -4.021 3.918 1.00 0.00 C ATOM 220 CD LYS A 13 -18.129 -4.721 2.682 1.00 0.00 C ATOM 221 CE LYS A 13 -19.316 -3.975 2.095 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.611 -4.605 2.474 1.00 0.00 N ATOM 0 H LYS A 13 -13.963 -4.820 5.631 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.165 -2.607 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.718 -4.898 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.251 -5.316 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.250 -4.207 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.577 -2.944 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.341 -4.801 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.428 -5.737 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.301 -2.941 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.228 -3.951 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.395 -4.066 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.637 -5.584 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.707 -4.605 3.510 1.00 0.00 H new ATOM 236 N ASN A 14 -15.873 -1.480 6.210 1.00 0.00 N ATOM 237 CA ASN A 14 -16.475 -0.786 7.346 1.00 0.00 C ATOM 238 C ASN A 14 -15.821 -1.199 8.660 1.00 0.00 C ATOM 239 O ASN A 14 -16.505 -1.413 9.662 1.00 0.00 O ATOM 240 CB ASN A 14 -17.975 -1.076 7.402 1.00 0.00 C ATOM 241 CG ASN A 14 -18.775 0.098 7.930 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.220 1.032 8.508 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.089 0.052 7.737 1.00 0.00 N ATOM 0 H ASN A 14 -15.406 -0.867 5.542 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.315 0.283 7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.329 -1.333 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.150 -1.945 8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.681 0.812 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.506 -0.743 7.252 1.00 0.00 H new ATOM 250 N GLY A 15 -14.500 -1.322 8.651 1.00 0.00 N ATOM 251 CA GLY A 15 -13.792 -1.721 9.849 1.00 0.00 C ATOM 252 C GLY A 15 -13.891 -3.210 10.083 1.00 0.00 C ATOM 253 O GLY A 15 -13.745 -3.682 11.209 1.00 0.00 O ATOM 0 H GLY A 15 -13.909 -1.153 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.744 -1.434 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.201 -1.189 10.708 1.00 0.00 H new ATOM 257 N GLU A 16 -14.135 -3.950 9.006 1.00 0.00 N ATOM 258 CA GLU A 16 -14.249 -5.393 9.085 1.00 0.00 C ATOM 259 C GLU A 16 -13.643 -6.039 7.849 1.00 0.00 C ATOM 260 O GLU A 16 -14.162 -5.897 6.742 1.00 0.00 O ATOM 261 CB GLU A 16 -15.714 -5.815 9.230 1.00 0.00 C ATOM 262 CG GLU A 16 -16.354 -5.369 10.535 1.00 0.00 C ATOM 263 CD GLU A 16 -16.542 -6.513 11.513 1.00 0.00 C ATOM 264 OE1 GLU A 16 -15.572 -7.265 11.742 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.658 -6.656 12.053 1.00 0.00 O ATOM 0 H GLU A 16 -14.257 -3.568 8.068 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.702 -5.729 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.285 -5.405 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.779 -6.901 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.734 -4.600 10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.322 -4.914 10.324 1.00 0.00 H new ATOM 272 N THR A 17 -12.534 -6.737 8.043 1.00 0.00 N ATOM 273 CA THR A 17 -11.834 -7.393 6.944 1.00 0.00 C ATOM 274 C THR A 17 -12.788 -8.142 6.013 1.00 0.00 C ATOM 275 O THR A 17 -13.568 -8.988 6.451 1.00 0.00 O ATOM 276 CB THR A 17 -10.784 -8.361 7.494 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.375 -7.972 8.794 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.544 -8.452 6.633 1.00 0.00 C ATOM 0 H THR A 17 -12.096 -6.865 8.955 1.00 0.00 H new ATOM 0 HA THR A 17 -11.349 -6.612 6.359 1.00 0.00 H new ATOM 0 HB THR A 17 -11.270 -9.336 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.396 -7.949 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.841 -9.155 7.080 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.818 -8.797 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.078 -7.469 6.561 1.00 0.00 H new ATOM 286 N ILE A 18 -12.698 -7.834 4.720 1.00 0.00 N ATOM 287 CA ILE A 18 -13.532 -8.487 3.708 1.00 0.00 C ATOM 288 C ILE A 18 -12.702 -9.485 2.919 1.00 0.00 C ATOM 289 O ILE A 18 -13.134 -10.605 2.646 1.00 0.00 O ATOM 290 CB ILE A 18 -14.152 -7.489 2.695 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.570 -6.084 2.856 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.663 -7.456 2.830 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.969 -5.139 1.741 1.00 0.00 C ATOM 0 H ILE A 18 -12.055 -7.135 4.347 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.341 -8.975 4.252 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.898 -7.840 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.898 -5.669 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.483 -6.151 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.077 -6.750 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.067 -8.450 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.931 -7.145 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.523 -4.160 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.617 -5.532 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.055 -5.044 1.716 1.00 0.00 H new ATOM 305 N SER A 19 -11.511 -9.048 2.545 1.00 0.00 N ATOM 306 CA SER A 19 -10.599 -9.875 1.762 1.00 0.00 C ATOM 307 C SER A 19 -9.222 -9.951 2.411 1.00 0.00 C ATOM 308 O SER A 19 -8.980 -9.333 3.449 1.00 0.00 O ATOM 309 CB SER A 19 -10.480 -9.321 0.344 1.00 0.00 C ATOM 310 OG SER A 19 -11.588 -8.501 0.031 1.00 0.00 O ATOM 0 H SER A 19 -11.149 -8.121 2.771 1.00 0.00 H new ATOM 0 HA SER A 19 -11.008 -10.885 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.558 -8.747 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.418 -10.143 -0.369 1.00 0.00 H new ATOM 0 HG SER A 19 -11.388 -7.973 -0.770 1.00 0.00 H new ATOM 316 N SER A 20 -8.321 -10.714 1.796 1.00 0.00 N ATOM 317 CA SER A 20 -6.973 -10.872 2.324 1.00 0.00 C ATOM 318 C SER A 20 -6.065 -11.602 1.335 1.00 0.00 C ATOM 319 O SER A 20 -6.420 -12.665 0.823 1.00 0.00 O ATOM 320 CB SER A 20 -7.010 -11.642 3.647 1.00 0.00 C ATOM 321 OG SER A 20 -7.459 -10.816 4.707 1.00 0.00 O ATOM 0 H SER A 20 -8.501 -11.230 0.935 1.00 0.00 H new ATOM 0 HA SER A 20 -6.566 -9.875 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.669 -12.505 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.015 -12.024 3.876 1.00 0.00 H new ATOM 0 HG SER A 20 -8.375 -10.519 4.525 1.00 0.00 H new ATOM 327 N CYS A 21 -4.887 -11.042 1.097 1.00 0.00 N ATOM 328 CA CYS A 21 -3.913 -11.651 0.196 1.00 0.00 C ATOM 329 C CYS A 21 -2.680 -12.055 0.989 1.00 0.00 C ATOM 330 O CYS A 21 -1.614 -11.454 0.856 1.00 0.00 O ATOM 331 CB CYS A 21 -3.525 -10.675 -0.917 1.00 0.00 C ATOM 332 SG CYS A 21 -2.169 -11.241 -1.974 1.00 0.00 S ATOM 0 H CYS A 21 -4.580 -10.164 1.516 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.357 -12.534 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.400 -10.487 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.244 -9.723 -0.466 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.157 -12.541 -2.005 1.00 0.00 H new ATOM 338 N PHE A 22 -2.838 -13.067 1.832 1.00 0.00 N ATOM 339 CA PHE A 22 -1.748 -13.540 2.668 1.00 0.00 C ATOM 340 C PHE A 22 -1.235 -14.880 2.176 1.00 0.00 C ATOM 341 O PHE A 22 -1.688 -15.934 2.620 1.00 0.00 O ATOM 342 CB PHE A 22 -2.215 -13.631 4.122 1.00 0.00 C ATOM 343 CG PHE A 22 -2.598 -12.293 4.688 1.00 0.00 C ATOM 344 CD1 PHE A 22 -1.976 -11.797 5.823 1.00 0.00 C ATOM 345 CD2 PHE A 22 -3.562 -11.517 4.063 1.00 0.00 C ATOM 346 CE1 PHE A 22 -2.311 -10.552 6.319 1.00 0.00 C ATOM 347 CE2 PHE A 22 -3.901 -10.276 4.559 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.270 -9.793 5.685 1.00 0.00 C ATOM 0 H PHE A 22 -3.714 -13.576 1.953 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.923 -12.830 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.068 -14.306 4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.420 -14.065 4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.224 -12.388 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.054 -11.889 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.821 -10.174 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.659 -9.684 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.528 -8.818 6.071 1.00 0.00 H new ATOM 358 N GLN A 23 -0.288 -14.829 1.246 1.00 0.00 N ATOM 359 CA GLN A 23 0.285 -16.046 0.684 1.00 0.00 C ATOM 360 C GLN A 23 1.806 -16.039 0.805 1.00 0.00 C ATOM 361 O GLN A 23 2.478 -15.248 0.150 1.00 0.00 O ATOM 362 CB GLN A 23 -0.119 -16.188 -0.784 1.00 0.00 C ATOM 363 CG GLN A 23 -1.620 -16.287 -0.995 1.00 0.00 C ATOM 364 CD GLN A 23 -2.069 -15.668 -2.305 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.681 -14.418 -2.532 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 -2.755 -16.306 -3.102 1.00 0.00 N flip ATOM 0 H GLN A 23 0.097 -13.964 0.867 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.101 -16.895 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.262 -15.332 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.357 -17.076 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.918 -17.335 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.132 -15.792 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.030 -17.264 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.049 -15.877 -3.979 1.00 0.00 H new ATOM 587 N ASN A 38 9.903 -13.444 8.798 1.00 0.00 N ATOM 588 CA ASN A 38 8.673 -12.691 8.592 1.00 0.00 C ATOM 589 C ASN A 38 7.590 -13.571 7.981 1.00 0.00 C ATOM 590 O ASN A 38 6.736 -13.093 7.233 1.00 0.00 O ATOM 591 CB ASN A 38 8.933 -11.481 7.693 1.00 0.00 C ATOM 592 CG ASN A 38 10.173 -10.710 8.103 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.694 -10.890 9.202 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.650 -9.844 7.218 1.00 0.00 N ATOM 0 HA ASN A 38 8.325 -12.343 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.041 -11.815 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.069 -10.817 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.481 -9.295 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.185 -9.727 6.318 1.00 0.00 H new ATOM 601 N GLU A 39 7.625 -14.860 8.306 1.00 0.00 N ATOM 602 CA GLU A 39 6.641 -15.804 7.789 1.00 0.00 C ATOM 603 C GLU A 39 5.945 -16.546 8.925 1.00 0.00 C ATOM 604 O GLU A 39 5.461 -17.665 8.751 1.00 0.00 O ATOM 605 CB GLU A 39 7.303 -16.798 6.837 1.00 0.00 C ATOM 606 CG GLU A 39 6.325 -17.496 5.907 1.00 0.00 C ATOM 607 CD GLU A 39 6.510 -19.000 5.884 1.00 0.00 C ATOM 608 OE1 GLU A 39 6.095 -19.665 6.854 1.00 0.00 O ATOM 609 OE2 GLU A 39 7.072 -19.513 4.892 1.00 0.00 O ATOM 0 H GLU A 39 8.323 -15.274 8.924 1.00 0.00 H new ATOM 0 HA GLU A 39 5.889 -15.238 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.048 -16.274 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.834 -17.549 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.306 -17.264 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.447 -17.104 4.897 1.00 0.00 H new ATOM 616 N GLN A 40 5.889 -15.903 10.084 1.00 0.00 N ATOM 617 CA GLN A 40 5.242 -16.482 11.258 1.00 0.00 C ATOM 618 C GLN A 40 3.986 -15.689 11.601 1.00 0.00 C ATOM 619 O GLN A 40 2.976 -16.248 12.031 1.00 0.00 O ATOM 620 CB GLN A 40 6.204 -16.485 12.448 1.00 0.00 C ATOM 621 CG GLN A 40 7.134 -17.688 12.475 1.00 0.00 C ATOM 622 CD GLN A 40 8.023 -17.766 11.249 1.00 0.00 C ATOM 623 OE1 GLN A 40 7.571 -18.497 10.237 1.00 0.00 O flip ATOM 624 NE2 GLN A 40 9.103 -17.177 11.212 1.00 0.00 N flip ATOM 0 H GLN A 40 6.285 -14.976 10.238 1.00 0.00 H new ATOM 0 HA GLN A 40 4.963 -17.512 11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.802 -15.574 12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.626 -16.462 13.372 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.757 -17.641 13.368 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.541 -18.600 12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.411 -16.626 12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.690 -17.240 10.380 1.00 0.00 H new ATOM 633 N ILE A 41 4.060 -14.381 11.384 1.00 0.00 N ATOM 634 CA ILE A 41 2.945 -13.479 11.640 1.00 0.00 C ATOM 635 C ILE A 41 1.695 -13.928 10.886 1.00 0.00 C ATOM 636 O ILE A 41 1.718 -14.075 9.664 1.00 0.00 O ATOM 637 CB ILE A 41 3.314 -12.052 11.214 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.634 -11.624 11.880 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.186 -11.083 11.533 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.520 -10.414 12.789 1.00 0.00 C ATOM 0 H ILE A 41 4.895 -13.917 11.026 1.00 0.00 H new ATOM 0 HA ILE A 41 2.733 -13.498 12.709 1.00 0.00 H new ATOM 0 HB ILE A 41 3.460 -12.035 10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.022 -12.462 12.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.366 -11.409 11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.471 -10.078 11.222 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.285 -11.386 11.000 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.993 -11.090 12.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.497 -10.185 13.214 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.165 -9.559 12.214 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.816 -10.628 13.593 1.00 0.00 H new ATOM 652 N THR A 42 0.602 -14.143 11.615 1.00 0.00 N ATOM 653 CA THR A 42 -0.649 -14.572 11.002 1.00 0.00 C ATOM 654 C THR A 42 -1.443 -13.370 10.520 1.00 0.00 C ATOM 655 O THR A 42 -1.363 -12.289 11.105 1.00 0.00 O ATOM 656 CB THR A 42 -1.494 -15.382 11.994 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.678 -15.858 11.382 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.901 -14.600 13.222 1.00 0.00 C ATOM 0 H THR A 42 0.559 -14.027 12.627 1.00 0.00 H new ATOM 0 HA THR A 42 -0.404 -15.206 10.150 1.00 0.00 H new ATOM 0 HB THR A 42 -0.850 -16.205 12.303 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.199 -16.373 12.033 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.496 -15.236 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.009 -14.265 13.752 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.492 -13.734 12.923 1.00 0.00 H new ATOM 666 N PRO A 43 -2.229 -13.538 9.446 1.00 0.00 N ATOM 667 CA PRO A 43 -3.046 -12.464 8.891 1.00 0.00 C ATOM 668 C PRO A 43 -3.772 -11.674 9.979 1.00 0.00 C ATOM 669 O PRO A 43 -4.139 -10.518 9.782 1.00 0.00 O ATOM 670 CB PRO A 43 -4.054 -13.186 7.980 1.00 0.00 C ATOM 671 CG PRO A 43 -3.765 -14.652 8.104 1.00 0.00 C ATOM 672 CD PRO A 43 -2.388 -14.786 8.693 1.00 0.00 C ATOM 0 HA PRO A 43 -2.439 -11.732 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.078 -12.965 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.949 -12.856 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.505 -15.137 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.815 -15.138 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.309 -15.660 9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.627 -14.891 7.920 1.00 0.00 H new ATOM 680 N VAL A 44 -3.953 -12.309 11.133 1.00 0.00 N ATOM 681 CA VAL A 44 -4.608 -11.683 12.269 1.00 0.00 C ATOM 682 C VAL A 44 -3.753 -10.558 12.827 1.00 0.00 C ATOM 683 O VAL A 44 -4.260 -9.484 13.120 1.00 0.00 O ATOM 684 CB VAL A 44 -4.864 -12.720 13.365 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.048 -12.075 14.729 1.00 0.00 C ATOM 686 CG2 VAL A 44 -6.055 -13.596 13.011 1.00 0.00 C ATOM 0 H VAL A 44 -3.650 -13.268 11.303 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.558 -11.270 11.930 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.978 -13.352 13.427 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.227 -12.848 15.476 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.149 -11.518 14.992 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.900 -11.396 14.698 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.218 -14.326 13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.944 -12.975 12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.858 -14.117 12.074 1.00 0.00 H new ATOM 696 N ILE A 45 -2.447 -10.799 12.966 1.00 0.00 N ATOM 697 CA ILE A 45 -1.558 -9.765 13.475 1.00 0.00 C ATOM 698 C ILE A 45 -1.631 -8.553 12.560 1.00 0.00 C ATOM 699 O ILE A 45 -1.517 -7.410 13.005 1.00 0.00 O ATOM 700 CB ILE A 45 -0.103 -10.263 13.596 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.040 -11.168 14.818 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.875 -9.099 13.680 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.031 -12.633 14.485 1.00 0.00 C ATOM 0 H ILE A 45 -1.994 -11.684 12.737 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.885 -9.494 14.479 1.00 0.00 H new ATOM 0 HB ILE A 45 0.136 -10.834 12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.992 -10.959 15.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.746 -10.927 15.534 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.892 -9.483 13.764 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.792 -8.488 12.781 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.643 -8.491 14.555 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.077 -13.219 15.398 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.993 -12.855 14.023 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.771 -12.888 13.792 1.00 0.00 H new ATOM 715 N PHE A 46 -1.863 -8.819 11.280 1.00 0.00 N ATOM 716 CA PHE A 46 -2.002 -7.767 10.294 1.00 0.00 C ATOM 717 C PHE A 46 -3.405 -7.189 10.369 1.00 0.00 C ATOM 718 O PHE A 46 -3.592 -5.976 10.325 1.00 0.00 O ATOM 719 CB PHE A 46 -1.760 -8.298 8.882 1.00 0.00 C ATOM 720 CG PHE A 46 -0.415 -8.934 8.675 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.617 -8.219 8.094 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.193 -10.252 9.037 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.848 -8.806 7.881 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.037 -10.843 8.827 1.00 0.00 C ATOM 725 CZ PHE A 46 2.059 -10.119 8.249 1.00 0.00 C ATOM 0 H PHE A 46 -1.958 -9.762 10.904 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.260 -6.998 10.509 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.533 -9.029 8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.871 -7.476 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.458 -7.191 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.990 -10.824 9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.646 -8.238 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.199 -11.871 9.115 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.022 -10.579 8.085 1.00 0.00 H new ATOM 735 N HIS A 47 -4.396 -8.077 10.487 1.00 0.00 N ATOM 736 CA HIS A 47 -5.789 -7.655 10.567 1.00 0.00 C ATOM 737 C HIS A 47 -6.041 -6.884 11.858 1.00 0.00 C ATOM 738 O HIS A 47 -6.937 -6.050 11.930 1.00 0.00 O ATOM 739 CB HIS A 47 -6.720 -8.878 10.449 1.00 0.00 C ATOM 740 CG HIS A 47 -7.703 -9.040 11.572 1.00 0.00 C ATOM 741 ND1 HIS A 47 -7.519 -9.078 12.911 1.00 0.00 N flip ATOM 742 CD2 HIS A 47 -9.058 -9.198 11.370 1.00 0.00 C flip ATOM 743 CE1 HIS A 47 -8.752 -9.258 13.490 1.00 0.00 C flip ATOM 744 NE2 HIS A 47 -9.664 -9.326 12.538 1.00 0.00 N flip ATOM 0 H HIS A 47 -4.257 -9.087 10.529 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.006 -6.984 9.736 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.271 -8.806 9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.107 -9.778 10.390 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.548 -9.215 10.408 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.944 -9.332 14.550 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.666 -9.455 12.679 1.00 0.00 H new ATOM 753 N ASN A 48 -5.228 -7.165 12.866 1.00 0.00 N ATOM 754 CA ASN A 48 -5.339 -6.499 14.154 1.00 0.00 C ATOM 755 C ASN A 48 -4.465 -5.263 14.150 1.00 0.00 C ATOM 756 O ASN A 48 -4.775 -4.264 14.793 1.00 0.00 O ATOM 757 CB ASN A 48 -4.931 -7.440 15.289 1.00 0.00 C ATOM 758 CG ASN A 48 -6.112 -8.197 15.865 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.250 -8.017 15.433 1.00 0.00 O ATOM 760 ND2 ASN A 48 -5.845 -9.050 16.848 1.00 0.00 N ATOM 0 H ASN A 48 -4.479 -7.855 12.815 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.377 -6.210 14.319 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.192 -8.151 14.920 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.451 -6.864 16.080 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.599 -9.587 17.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.886 -9.167 17.175 1.00 0.00 H new ATOM 767 N LEU A 49 -3.385 -5.327 13.379 1.00 0.00 N ATOM 768 CA LEU A 49 -2.485 -4.197 13.236 1.00 0.00 C ATOM 769 C LEU A 49 -3.298 -3.040 12.707 1.00 0.00 C ATOM 770 O LEU A 49 -3.412 -1.982 13.319 1.00 0.00 O ATOM 771 CB LEU A 49 -1.387 -4.545 12.230 1.00 0.00 C ATOM 772 CG LEU A 49 -0.005 -4.775 12.816 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.031 -4.748 11.707 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.300 -3.723 13.866 1.00 0.00 C ATOM 0 H LEU A 49 -3.114 -6.152 12.844 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.023 -3.946 14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.686 -5.443 11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.322 -3.740 11.498 1.00 0.00 H new ATOM 0 HG LEU A 49 0.025 -5.753 13.297 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.022 -4.913 12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.810 -5.533 10.984 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.006 -3.778 11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.293 -3.898 14.279 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.266 -2.733 13.410 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.440 -3.780 14.664 1.00 0.00 H new ATOM 786 N ILE A 50 -3.891 -3.310 11.561 1.00 0.00 N ATOM 787 CA ILE A 50 -4.765 -2.375 10.878 1.00 0.00 C ATOM 788 C ILE A 50 -5.925 -1.982 11.783 1.00 0.00 C ATOM 789 O ILE A 50 -6.059 -0.832 12.197 1.00 0.00 O ATOM 790 CB ILE A 50 -5.356 -3.026 9.615 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.278 -3.688 8.769 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.129 -2.010 8.798 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.739 -5.007 8.196 1.00 0.00 C ATOM 0 H ILE A 50 -3.778 -4.197 11.071 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.176 -1.497 10.613 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.045 -3.805 9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.993 -3.019 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.388 -3.848 9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.538 -2.492 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.943 -1.604 9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.462 -1.202 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.938 -5.444 7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.998 -5.686 9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.613 -4.844 7.566 1.00 0.00 H new ATOM 805 N MET A 51 -6.761 -2.970 12.071 1.00 0.00 N ATOM 806 CA MET A 51 -7.938 -2.805 12.908 1.00 0.00 C ATOM 807 C MET A 51 -7.643 -2.036 14.197 1.00 0.00 C ATOM 808 O MET A 51 -8.441 -1.207 14.632 1.00 0.00 O ATOM 809 CB MET A 51 -8.484 -4.195 13.241 1.00 0.00 C ATOM 810 CG MET A 51 -9.934 -4.195 13.696 1.00 0.00 C ATOM 811 SD MET A 51 -11.100 -4.164 12.320 1.00 0.00 S ATOM 812 CE MET A 51 -10.236 -5.165 11.111 1.00 0.00 C ATOM 0 H MET A 51 -6.638 -3.921 11.724 1.00 0.00 H new ATOM 0 HA MET A 51 -8.671 -2.215 12.358 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.390 -4.832 12.361 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.868 -4.639 14.023 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.119 -5.081 14.303 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.110 -3.329 14.334 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.935 -5.489 10.340 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.440 -4.577 10.654 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.807 -6.038 11.602 1.00 0.00 H new ATOM 822 N ASP A 52 -6.513 -2.342 14.818 1.00 0.00 N ATOM 823 CA ASP A 52 -6.131 -1.707 16.080 1.00 0.00 C ATOM 824 C ASP A 52 -5.285 -0.445 15.888 1.00 0.00 C ATOM 825 O ASP A 52 -5.252 0.418 16.762 1.00 0.00 O ATOM 826 CB ASP A 52 -5.369 -2.702 16.955 1.00 0.00 C ATOM 827 CG ASP A 52 -5.486 -2.380 18.433 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.619 -2.417 18.959 1.00 0.00 O ATOM 829 OD2 ASP A 52 -4.448 -2.094 19.063 1.00 0.00 O ATOM 0 H ASP A 52 -5.841 -3.027 14.471 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.057 -1.401 16.567 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.750 -3.707 16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.317 -2.703 16.668 1.00 0.00 H new ATOM 834 N MET A 53 -4.575 -0.349 14.767 1.00 0.00 N ATOM 835 CA MET A 53 -3.711 0.806 14.519 1.00 0.00 C ATOM 836 C MET A 53 -4.190 1.652 13.343 1.00 0.00 C ATOM 837 O MET A 53 -4.536 2.821 13.512 1.00 0.00 O ATOM 838 CB MET A 53 -2.274 0.342 14.266 1.00 0.00 C ATOM 839 CG MET A 53 -1.778 -0.682 15.273 1.00 0.00 C ATOM 840 SD MET A 53 -1.632 -0.004 16.937 1.00 0.00 S ATOM 841 CE MET A 53 -0.307 1.178 16.708 1.00 0.00 C ATOM 0 H MET A 53 -4.579 -1.047 14.023 1.00 0.00 H new ATOM 0 HA MET A 53 -3.751 1.432 15.411 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.210 -0.085 13.265 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.613 1.208 14.286 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.462 -1.531 15.289 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.807 -1.061 14.953 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.347 1.165 17.580 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.267 0.913 15.820 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.727 2.176 16.584 1.00 0.00 H new ATOM 851 N VAL A 54 -4.188 1.067 12.152 1.00 0.00 N ATOM 852 CA VAL A 54 -4.603 1.782 10.951 1.00 0.00 C ATOM 853 C VAL A 54 -6.061 2.227 11.019 1.00 0.00 C ATOM 854 O VAL A 54 -6.360 3.414 10.909 1.00 0.00 O ATOM 855 CB VAL A 54 -4.400 0.923 9.689 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.790 1.695 8.439 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.958 0.446 9.597 1.00 0.00 C ATOM 0 H VAL A 54 -3.904 0.101 11.991 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.971 2.668 10.894 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.049 0.050 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.638 1.067 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.839 1.983 8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.173 2.590 8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.832 -0.160 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.292 1.308 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.716 -0.152 10.475 1.00 0.00 H new ATOM 867 N LEU A 55 -6.968 1.267 11.180 1.00 0.00 N ATOM 868 CA LEU A 55 -8.398 1.555 11.238 1.00 0.00 C ATOM 869 C LEU A 55 -8.707 2.760 12.123 1.00 0.00 C ATOM 870 O LEU A 55 -9.322 3.724 11.669 1.00 0.00 O ATOM 871 CB LEU A 55 -9.166 0.326 11.711 1.00 0.00 C ATOM 872 CG LEU A 55 -9.748 -0.527 10.587 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.928 0.170 9.938 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.690 -0.853 9.550 1.00 0.00 C ATOM 0 H LEU A 55 -6.736 0.278 11.273 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.722 1.809 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.501 -0.293 12.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.978 0.649 12.363 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.098 -1.462 11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.327 -0.456 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.703 0.344 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.604 1.124 9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.130 -1.462 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.302 0.072 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.876 -1.404 10.021 1.00 0.00 H new ATOM 886 N PRO A 56 -8.277 2.743 13.396 1.00 0.00 N ATOM 887 CA PRO A 56 -8.513 3.856 14.316 1.00 0.00 C ATOM 888 C PRO A 56 -7.718 5.103 13.924 1.00 0.00 C ATOM 889 O PRO A 56 -7.733 6.104 14.642 1.00 0.00 O ATOM 890 CB PRO A 56 -8.035 3.326 15.677 1.00 0.00 C ATOM 891 CG PRO A 56 -7.863 1.855 15.494 1.00 0.00 C ATOM 892 CD PRO A 56 -7.529 1.659 14.044 1.00 0.00 C ATOM 0 HA PRO A 56 -9.559 4.162 14.315 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.098 3.797 15.974 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.762 3.542 16.460 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.068 1.472 16.134 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.773 1.319 15.761 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.458 1.739 13.860 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.842 0.679 13.684 1.00 0.00 H new ATOM 900 N LYS A 57 -7.029 5.046 12.781 1.00 0.00 N ATOM 901 CA LYS A 57 -6.242 6.178 12.311 1.00 0.00 C ATOM 902 C LYS A 57 -6.281 6.254 10.791 1.00 0.00 C ATOM 903 O LYS A 57 -5.406 6.853 10.163 1.00 0.00 O ATOM 904 CB LYS A 57 -4.795 6.059 12.792 1.00 0.00 C ATOM 905 CG LYS A 57 -4.572 6.597 14.195 1.00 0.00 C ATOM 906 CD LYS A 57 -4.275 8.087 14.180 1.00 0.00 C ATOM 907 CE LYS A 57 -4.200 8.656 15.588 1.00 0.00 C ATOM 908 NZ LYS A 57 -3.129 9.681 15.717 1.00 0.00 N ATOM 0 H LYS A 57 -7.003 4.230 12.170 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.673 7.091 12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.497 5.011 12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.146 6.595 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.456 6.407 14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.744 6.065 14.662 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.332 8.266 13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.050 8.608 13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.160 9.099 15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.016 7.848 16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.111 10.044 16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.209 9.252 15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.317 10.464 15.059 1.00 0.00 H new ATOM 922 N VAL A 58 -7.303 5.638 10.202 1.00 0.00 N ATOM 923 CA VAL A 58 -7.460 5.627 8.758 1.00 0.00 C ATOM 924 C VAL A 58 -8.169 6.881 8.280 1.00 0.00 C ATOM 925 O VAL A 58 -8.773 7.611 9.066 1.00 0.00 O ATOM 926 CB VAL A 58 -8.252 4.385 8.290 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.746 4.575 8.514 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.974 4.081 6.827 1.00 0.00 C ATOM 0 H VAL A 58 -8.035 5.140 10.708 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.460 5.592 8.326 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.919 3.536 8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.280 3.687 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.938 4.732 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.091 5.442 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.544 3.203 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.269 4.934 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.910 3.888 6.691 1.00 0.00 H new ATOM 938 N VAL A 59 -8.101 7.115 6.984 1.00 0.00 N ATOM 939 CA VAL A 59 -8.740 8.265 6.382 1.00 0.00 C ATOM 940 C VAL A 59 -9.194 7.928 4.973 1.00 0.00 C ATOM 941 O VAL A 59 -8.539 7.152 4.275 1.00 0.00 O ATOM 942 CB VAL A 59 -7.795 9.474 6.331 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.537 10.014 7.729 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.489 9.105 5.645 1.00 0.00 C ATOM 0 H VAL A 59 -7.604 6.517 6.324 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.599 8.525 7.000 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.276 10.259 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.865 10.870 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.480 10.323 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.081 9.236 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.833 9.975 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.003 8.301 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.694 8.774 4.627 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.815 5.092 -0.828 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.820 4.105 -0.417 1.00 0.00 C ATOM 1054 C VAL A 66 -1.724 4.768 0.413 1.00 0.00 C ATOM 1055 O VAL A 66 -0.556 4.782 0.022 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.178 3.425 -1.637 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.398 2.185 -1.218 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.232 3.082 -2.677 1.00 0.00 C ATOM 0 HA VAL A 66 -3.332 3.352 0.182 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.475 4.125 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.953 1.721 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.611 2.469 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.072 1.477 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.757 2.602 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.966 2.404 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.731 3.994 -3.004 1.00 0.00 H new ATOM 1068 N THR A 67 -2.108 5.327 1.555 1.00 0.00 N ATOM 1069 CA THR A 67 -1.159 6.005 2.431 1.00 0.00 C ATOM 1070 C THR A 67 -0.622 5.059 3.501 1.00 0.00 C ATOM 1071 O THR A 67 -1.359 4.236 4.044 1.00 0.00 O ATOM 1072 CB THR A 67 -1.819 7.215 3.085 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.148 8.193 2.112 1.00 0.00 O ATOM 1074 CG2 THR A 67 -0.956 7.886 4.135 1.00 0.00 C ATOM 0 H THR A 67 -3.069 5.324 1.896 1.00 0.00 H new ATOM 0 HA THR A 67 -0.319 6.340 1.823 1.00 0.00 H new ATOM 0 HB THR A 67 -2.711 6.822 3.574 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.572 8.961 2.550 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.491 8.737 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.727 7.174 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.028 8.230 3.678 1.00 0.00 H new ATOM 1082 N LYS A 68 0.664 5.194 3.806 1.00 0.00 N ATOM 1083 CA LYS A 68 1.301 4.363 4.817 1.00 0.00 C ATOM 1084 C LYS A 68 1.150 4.996 6.194 1.00 0.00 C ATOM 1085 O LYS A 68 1.310 6.206 6.349 1.00 0.00 O ATOM 1086 CB LYS A 68 2.785 4.167 4.498 1.00 0.00 C ATOM 1087 CG LYS A 68 3.309 2.789 4.871 1.00 0.00 C ATOM 1088 CD LYS A 68 4.818 2.701 4.704 1.00 0.00 C ATOM 1089 CE LYS A 68 5.430 1.720 5.691 1.00 0.00 C ATOM 1090 NZ LYS A 68 5.252 2.161 7.102 1.00 0.00 N ATOM 0 H LYS A 68 1.285 5.873 3.366 1.00 0.00 H new ATOM 0 HA LYS A 68 0.810 3.390 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.944 4.331 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.365 4.923 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.043 2.565 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.829 2.035 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.055 2.391 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.259 3.687 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.973 0.740 5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.493 1.608 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.028 1.785 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.259 3.200 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.344 1.806 7.465 1.00 0.00 H new ATOM 1104 N MET A 69 0.846 4.176 7.192 1.00 0.00 N ATOM 1105 CA MET A 69 0.679 4.671 8.553 1.00 0.00 C ATOM 1106 C MET A 69 1.917 5.445 9.002 1.00 0.00 C ATOM 1107 O MET A 69 1.837 6.321 9.864 1.00 0.00 O ATOM 1108 CB MET A 69 0.411 3.514 9.516 1.00 0.00 C ATOM 1109 CG MET A 69 0.179 3.964 10.949 1.00 0.00 C ATOM 1110 SD MET A 69 -1.441 3.484 11.580 1.00 0.00 S ATOM 1111 CE MET A 69 -2.501 4.594 10.659 1.00 0.00 C ATOM 0 H MET A 69 0.711 3.171 7.086 1.00 0.00 H new ATOM 0 HA MET A 69 -0.178 5.345 8.564 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.461 2.959 9.171 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.257 2.827 9.491 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.953 3.539 11.588 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.279 5.048 11.005 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.543 4.396 10.912 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.256 5.625 10.913 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.351 4.438 9.591 1.00 0.00 H new ATOM 1121 N SER A 70 3.058 5.113 8.406 1.00 0.00 N ATOM 1122 CA SER A 70 4.320 5.769 8.733 1.00 0.00 C ATOM 1123 C SER A 70 4.602 5.715 10.226 1.00 0.00 C ATOM 1124 O SER A 70 5.334 6.548 10.762 1.00 0.00 O ATOM 1125 CB SER A 70 4.309 7.221 8.251 1.00 0.00 C ATOM 1126 OG SER A 70 5.575 7.830 8.438 1.00 0.00 O ATOM 0 H SER A 70 3.135 4.390 7.691 1.00 0.00 H new ATOM 0 HA SER A 70 5.116 5.231 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.038 7.255 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.548 7.782 8.794 1.00 0.00 H new ATOM 0 HG SER A 70 5.926 7.590 9.321 1.00 0.00 H new ATOM 1132 N MET A 71 4.037 4.716 10.888 1.00 0.00 N ATOM 1133 CA MET A 71 4.247 4.534 12.316 1.00 0.00 C ATOM 1134 C MET A 71 4.929 3.191 12.582 1.00 0.00 C ATOM 1135 O MET A 71 5.167 2.821 13.732 1.00 0.00 O ATOM 1136 CB MET A 71 2.909 4.646 13.069 1.00 0.00 C ATOM 1137 CG MET A 71 2.518 3.407 13.866 1.00 0.00 C ATOM 1138 SD MET A 71 0.814 3.467 14.449 1.00 0.00 S ATOM 1139 CE MET A 71 1.042 4.128 16.097 1.00 0.00 C ATOM 0 H MET A 71 3.429 4.019 10.458 1.00 0.00 H new ATOM 0 HA MET A 71 4.904 5.322 12.685 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.961 5.497 13.749 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.120 4.861 12.349 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.655 2.522 13.245 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.187 3.303 14.720 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.071 4.374 16.528 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.539 3.385 16.721 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.655 5.028 16.046 1.00 0.00 H new ATOM 1149 N ASN A 72 5.239 2.465 11.506 1.00 0.00 N ATOM 1150 CA ASN A 72 5.890 1.169 11.622 1.00 0.00 C ATOM 1151 C ASN A 72 5.064 0.235 12.495 1.00 0.00 C ATOM 1152 O ASN A 72 5.366 0.031 13.670 1.00 0.00 O ATOM 1153 CB ASN A 72 7.296 1.334 12.195 1.00 0.00 C ATOM 1154 CG ASN A 72 8.262 0.282 11.684 1.00 0.00 C ATOM 1155 OD1 ASN A 72 7.925 -0.985 11.891 1.00 0.00 O flip ATOM 1156 ND2 ASN A 72 9.301 0.606 11.108 1.00 0.00 N flip ATOM 0 H ASN A 72 5.048 2.757 10.547 1.00 0.00 H new ATOM 0 HA ASN A 72 5.969 0.729 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.674 2.324 11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.249 1.281 13.283 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.521 1.592 10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.941 -0.112 10.769 1.00 0.00 H new ATOM 1163 N LEU A 73 4.010 -0.326 11.910 1.00 0.00 N ATOM 1164 CA LEU A 73 3.128 -1.232 12.625 1.00 0.00 C ATOM 1165 C LEU A 73 3.794 -2.590 12.818 1.00 0.00 C ATOM 1166 O LEU A 73 3.723 -3.183 13.893 1.00 0.00 O ATOM 1167 CB LEU A 73 1.811 -1.387 11.863 1.00 0.00 C ATOM 1168 CG LEU A 73 0.772 -0.294 12.132 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.253 1.054 11.618 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.554 -0.652 11.488 1.00 0.00 C ATOM 0 H LEU A 73 3.748 -0.166 10.937 1.00 0.00 H new ATOM 0 HA LEU A 73 2.920 -0.812 13.609 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.027 -1.406 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.374 -2.353 12.117 1.00 0.00 H new ATOM 0 HG LEU A 73 0.634 -0.221 13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.497 1.812 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.182 1.324 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.426 0.993 10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.280 0.135 11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.419 -0.755 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.916 -1.594 11.900 1.00 0.00 H new ATOM 1182 N ILE A 74 4.447 -3.065 11.766 1.00 0.00 N ATOM 1183 CA ILE A 74 5.140 -4.345 11.810 1.00 0.00 C ATOM 1184 C ILE A 74 6.491 -4.251 11.111 1.00 0.00 C ATOM 1185 O ILE A 74 6.693 -3.409 10.236 1.00 0.00 O ATOM 1186 CB ILE A 74 4.289 -5.470 11.163 1.00 0.00 C ATOM 1187 CG1 ILE A 74 3.806 -6.452 12.234 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.063 -6.212 10.082 1.00 0.00 C ATOM 1189 CD1 ILE A 74 2.956 -7.575 11.682 1.00 0.00 C ATOM 0 H ILE A 74 4.511 -2.582 10.870 1.00 0.00 H new ATOM 0 HA ILE A 74 5.300 -4.595 12.859 1.00 0.00 H new ATOM 0 HB ILE A 74 3.427 -5.000 10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.671 -6.878 12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.232 -5.907 12.983 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.433 -6.991 9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.357 -5.512 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.954 -6.664 10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.649 -8.232 12.495 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.072 -7.159 11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.534 -8.144 10.954 1.00 0.00 H new ATOM 1201 N ASP A 75 7.406 -5.130 11.496 1.00 0.00 N ATOM 1202 CA ASP A 75 8.731 -5.154 10.897 1.00 0.00 C ATOM 1203 C ASP A 75 8.793 -6.200 9.797 1.00 0.00 C ATOM 1204 O ASP A 75 8.241 -7.293 9.926 1.00 0.00 O ATOM 1205 CB ASP A 75 9.790 -5.441 11.959 1.00 0.00 C ATOM 1206 CG ASP A 75 11.175 -5.001 11.529 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.612 -3.911 11.956 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.824 -5.745 10.764 1.00 0.00 O ATOM 0 H ASP A 75 7.255 -5.834 12.219 1.00 0.00 H new ATOM 0 HA ASP A 75 8.932 -4.176 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.521 -4.931 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.802 -6.509 12.176 1.00 0.00 H new ATOM 1213 N GLY A 76 9.464 -5.853 8.708 1.00 0.00 N ATOM 1214 CA GLY A 76 9.581 -6.768 7.592 1.00 0.00 C ATOM 1215 C GLY A 76 8.786 -6.306 6.389 1.00 0.00 C ATOM 1216 O GLY A 76 9.189 -6.528 5.248 1.00 0.00 O ATOM 0 H GLY A 76 9.929 -4.955 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.630 -6.869 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.235 -7.756 7.896 1.00 0.00 H new ATOM 1220 N PHE A 77 7.649 -5.658 6.640 1.00 0.00 N ATOM 1221 CA PHE A 77 6.804 -5.165 5.554 1.00 0.00 C ATOM 1222 C PHE A 77 6.349 -3.729 5.821 1.00 0.00 C ATOM 1223 O PHE A 77 6.634 -3.163 6.876 1.00 0.00 O ATOM 1224 CB PHE A 77 5.583 -6.071 5.357 1.00 0.00 C ATOM 1225 CG PHE A 77 5.639 -7.365 6.126 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.376 -8.440 5.656 1.00 0.00 C ATOM 1227 CD2 PHE A 77 4.950 -7.503 7.319 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.421 -9.629 6.361 1.00 0.00 C ATOM 1229 CE2 PHE A 77 4.991 -8.689 8.028 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.726 -9.753 7.550 1.00 0.00 C ATOM 0 H PHE A 77 7.295 -5.464 7.576 1.00 0.00 H new ATOM 0 HA PHE A 77 7.400 -5.177 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.688 -5.524 5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.481 -6.297 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.922 -8.348 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.373 -6.673 7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.998 -10.460 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.447 -8.782 8.956 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.759 -10.680 8.102 1.00 0.00 H new ATOM 1240 N ASP A 78 5.635 -3.151 4.856 1.00 0.00 N ATOM 1241 CA ASP A 78 5.137 -1.783 4.985 1.00 0.00 C ATOM 1242 C ASP A 78 3.611 -1.772 5.057 1.00 0.00 C ATOM 1243 O ASP A 78 2.938 -2.382 4.224 1.00 0.00 O ATOM 1244 CB ASP A 78 5.609 -0.926 3.809 1.00 0.00 C ATOM 1245 CG ASP A 78 7.055 -0.491 3.951 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.507 0.336 3.132 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.733 -0.976 4.879 1.00 0.00 O ATOM 0 H ASP A 78 5.389 -3.608 3.978 1.00 0.00 H new ATOM 0 HA ASP A 78 5.536 -1.363 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.492 -1.489 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.974 -0.044 3.728 1.00 0.00 H new ATOM 1252 N CYS A 79 3.072 -1.086 6.065 1.00 0.00 N ATOM 1253 CA CYS A 79 1.626 -1.007 6.264 1.00 0.00 C ATOM 1254 C CYS A 79 1.003 0.188 5.537 1.00 0.00 C ATOM 1255 O CYS A 79 1.235 1.343 5.900 1.00 0.00 O ATOM 1256 CB CYS A 79 1.307 -0.924 7.757 1.00 0.00 C ATOM 1257 SG CYS A 79 2.092 0.470 8.599 1.00 0.00 S ATOM 0 H CYS A 79 3.618 -0.575 6.759 1.00 0.00 H new ATOM 0 HA CYS A 79 1.192 -1.913 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.227 -0.851 7.884 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.622 -1.850 8.238 1.00 0.00 H new ATOM 0 HG CYS A 79 1.940 1.548 7.888 1.00 0.00 H new ATOM 1263 N PHE A 80 0.195 -0.108 4.522 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.489 0.922 3.740 1.00 0.00 C ATOM 1265 C PHE A 80 -2.003 0.744 3.835 1.00 0.00 C ATOM 1266 O PHE A 80 -2.488 -0.367 4.052 1.00 0.00 O ATOM 1267 CB PHE A 80 -0.061 0.841 2.273 1.00 0.00 C ATOM 1268 CG PHE A 80 1.268 1.479 1.981 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.445 0.769 2.160 1.00 0.00 C ATOM 1270 CD2 PHE A 80 1.338 2.780 1.516 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.669 1.350 1.881 1.00 0.00 C ATOM 1272 CE2 PHE A 80 2.559 3.367 1.237 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.724 2.650 1.419 1.00 0.00 C ATOM 0 H PHE A 80 -0.004 -1.061 4.219 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.217 1.897 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.021 -0.207 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.823 1.318 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.406 -0.248 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.429 3.344 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.580 0.788 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.601 4.385 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.678 3.106 1.200 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.752 1.832 3.663 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.210 1.761 3.720 1.00 0.00 C ATOM 1285 C TYR A 81 -4.859 2.721 2.729 1.00 0.00 C ATOM 1286 O TYR A 81 -4.550 3.913 2.702 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.724 2.034 5.139 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.244 3.336 5.749 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -3.126 3.367 6.576 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -4.917 4.533 5.515 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.694 4.548 7.150 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.488 5.715 6.084 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.378 5.717 6.900 1.00 0.00 C ATOM 1294 OH TYR A 81 -2.950 6.894 7.469 1.00 0.00 O ATOM 0 H TYR A 81 -2.378 2.764 3.485 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.491 0.746 3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.814 2.037 5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.418 1.212 5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.586 2.453 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.789 4.536 4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.825 4.554 7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.020 6.635 5.890 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.541 7.625 7.192 1.00 0.00 H new ATOM 1304 N SER A 82 -5.766 2.186 1.916 1.00 0.00 N ATOM 1305 CA SER A 82 -6.475 2.975 0.916 1.00 0.00 C ATOM 1306 C SER A 82 -7.969 2.669 0.949 1.00 0.00 C ATOM 1307 O SER A 82 -8.376 1.521 0.770 1.00 0.00 O ATOM 1308 CB SER A 82 -5.929 2.676 -0.483 1.00 0.00 C ATOM 1309 OG SER A 82 -6.131 3.776 -1.353 1.00 0.00 O ATOM 0 H SER A 82 -6.028 1.200 1.932 1.00 0.00 H new ATOM 0 HA SER A 82 -6.321 4.029 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.865 2.448 -0.421 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.422 1.792 -0.888 1.00 0.00 H new ATOM 0 HG SER A 82 -5.523 4.504 -1.106 1.00 0.00 H new ATOM 1315 N THR A 83 -8.789 3.693 1.176 1.00 0.00 N ATOM 1316 CA THR A 83 -10.233 3.502 1.219 1.00 0.00 C ATOM 1317 C THR A 83 -10.819 3.459 -0.185 1.00 0.00 C ATOM 1318 O THR A 83 -10.257 4.027 -1.121 1.00 0.00 O ATOM 1319 CB THR A 83 -10.905 4.607 2.032 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.915 5.825 1.311 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.233 4.863 3.362 1.00 0.00 C ATOM 0 H THR A 83 -8.481 4.653 1.331 1.00 0.00 H new ATOM 0 HA THR A 83 -10.425 2.545 1.705 1.00 0.00 H new ATOM 0 HB THR A 83 -11.919 4.253 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.351 6.519 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.760 5.659 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.256 3.954 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.198 5.161 3.195 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.953 2.775 -0.328 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.617 2.651 -1.622 1.00 0.00 C ATOM 1331 C ASP A 84 -12.760 4.013 -2.296 1.00 0.00 C ATOM 1332 O ASP A 84 -12.839 5.044 -1.628 1.00 0.00 O ATOM 1333 CB ASP A 84 -13.992 2.002 -1.453 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.447 1.278 -2.704 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -15.078 0.209 -2.574 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -14.172 1.781 -3.815 1.00 0.00 O ATOM 0 H ASP A 84 -12.430 2.299 0.437 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.000 2.017 -2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.959 1.298 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.723 2.768 -1.194 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.783 4.008 -3.624 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.906 5.242 -4.393 1.00 0.00 C ATOM 1343 C ASP A 85 -14.326 5.805 -4.333 1.00 0.00 C ATOM 1344 O ASP A 85 -14.582 6.903 -4.827 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.506 4.998 -5.850 1.00 0.00 C ATOM 1346 CG ASP A 85 -11.023 5.213 -6.085 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -10.212 4.555 -5.402 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -10.675 6.040 -6.952 1.00 0.00 O ATOM 0 H ASP A 85 -12.718 3.163 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.234 5.976 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.772 3.979 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.074 5.666 -6.497 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.249 5.055 -3.736 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.635 5.501 -3.633 1.00 0.00 C ATOM 1355 C HIS A 86 -17.340 4.881 -2.428 1.00 0.00 C ATOM 1356 O HIS A 86 -18.570 4.825 -2.384 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.394 5.146 -4.911 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.265 3.705 -5.300 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.771 2.737 -4.449 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -17.569 3.067 -6.455 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -16.775 1.570 -5.065 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -17.255 1.741 -6.282 1.00 0.00 N ATOM 0 H HIS A 86 -15.064 4.143 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.625 6.583 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.449 5.385 -4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.028 5.769 -5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.981 3.517 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.442 0.633 -4.644 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.374 1.008 -6.981 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.568 4.411 -1.452 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.143 3.798 -0.263 1.00 0.00 C ATOM 1373 C ASP A 87 -16.149 3.799 0.899 1.00 0.00 C ATOM 1374 O ASP A 87 -15.236 2.976 0.944 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.582 2.365 -0.567 1.00 0.00 C ATOM 1376 CG ASP A 87 -19.060 2.271 -0.899 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.854 3.015 -0.285 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.421 1.453 -1.770 1.00 0.00 O ATOM 0 H ASP A 87 -15.549 4.443 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.011 4.388 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.999 1.979 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.364 1.731 0.293 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.319 4.720 1.870 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.435 4.804 3.036 1.00 0.00 C ATOM 1385 C PRO A 88 -15.553 3.575 3.933 1.00 0.00 C ATOM 1386 O PRO A 88 -14.718 3.351 4.809 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.923 6.056 3.770 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.333 6.234 3.327 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.389 5.735 1.912 1.00 0.00 C ATOM 0 HA PRO A 88 -14.384 4.851 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.861 5.930 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.316 6.925 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.016 5.674 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.630 7.281 3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.362 5.304 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.212 6.537 1.195 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.593 2.773 3.701 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.818 1.563 4.477 1.00 0.00 C ATOM 1399 C LYS A 89 -16.257 0.348 3.741 1.00 0.00 C ATOM 1400 O LYS A 89 -16.766 -0.764 3.876 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.312 1.376 4.747 1.00 0.00 C ATOM 1402 CG LYS A 89 -19.009 2.650 5.195 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.403 2.367 5.730 1.00 0.00 C ATOM 1404 CE LYS A 89 -21.377 3.469 5.352 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.795 3.034 5.500 1.00 0.00 N ATOM 0 H LYS A 89 -17.292 2.944 2.978 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.301 1.661 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.794 1.006 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.442 0.611 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.415 3.138 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.074 3.344 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.759 1.415 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.365 2.270 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.198 4.342 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.197 3.775 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.427 3.815 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.974 2.216 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.975 2.767 6.489 1.00 0.00 H new ATOM 1419 N THR A 90 -15.202 0.579 2.971 1.00 0.00 N ATOM 1420 CA THR A 90 -14.548 -0.479 2.211 1.00 0.00 C ATOM 1421 C THR A 90 -13.091 -0.114 1.981 1.00 0.00 C ATOM 1422 O THR A 90 -12.681 0.225 0.872 1.00 0.00 O ATOM 1423 CB THR A 90 -15.267 -0.702 0.877 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.537 -1.295 1.087 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.505 -1.590 -0.085 1.00 0.00 C ATOM 0 H THR A 90 -14.777 1.499 2.856 1.00 0.00 H new ATOM 0 HA THR A 90 -14.594 -1.409 2.778 1.00 0.00 H new ATOM 0 HB THR A 90 -15.355 0.290 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 90 -16.725 -1.334 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.076 -1.702 -1.007 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.539 -1.138 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.351 -2.569 0.368 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.323 -0.184 3.055 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.910 0.140 3.016 1.00 0.00 C ATOM 1435 C VAL A 91 -10.122 -0.911 2.245 1.00 0.00 C ATOM 1436 O VAL A 91 -10.675 -1.911 1.787 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.316 0.290 4.435 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.243 1.367 4.453 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.407 0.605 5.451 1.00 0.00 C ATOM 0 H VAL A 91 -12.661 -0.466 3.975 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.825 1.097 2.502 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.858 -0.659 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.836 1.459 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.444 1.097 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.678 2.319 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.964 0.706 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.900 1.538 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.139 -0.203 5.461 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.827 -0.670 2.113 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.934 -1.578 1.404 1.00 0.00 C ATOM 1451 C TYR A 92 -6.522 -1.453 1.959 1.00 0.00 C ATOM 1452 O TYR A 92 -5.773 -0.552 1.584 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.931 -1.273 -0.096 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.273 -1.466 -0.767 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.601 -2.673 -1.372 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -10.208 -0.439 -0.801 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.824 -2.852 -1.990 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.433 -0.611 -1.417 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.737 -1.818 -2.009 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.956 -1.994 -2.621 1.00 0.00 O ATOM 0 H TYR A 92 -8.365 0.157 2.492 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.291 -2.597 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.606 -0.243 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.197 -1.913 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.889 -3.485 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.974 0.509 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.064 -3.796 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.149 0.197 -1.434 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.488 -1.176 -2.531 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.174 -2.351 2.869 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.860 -2.332 3.493 1.00 0.00 C ATOM 1472 C VAL A 93 -3.926 -3.357 2.865 1.00 0.00 C ATOM 1473 O VAL A 93 -4.268 -4.533 2.747 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.978 -2.596 5.006 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.613 -2.600 5.677 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.889 -1.557 5.637 1.00 0.00 C ATOM 0 H VAL A 93 -6.784 -3.102 3.192 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.437 -1.341 3.330 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.412 -3.585 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.733 -2.789 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.994 -3.382 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.133 -1.632 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.970 -1.746 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.473 -0.562 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.878 -1.616 5.182 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.743 -2.902 2.463 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.761 -3.783 1.849 1.00 0.00 C ATOM 1488 C CYS A 94 -0.430 -3.724 2.591 1.00 0.00 C ATOM 1489 O CYS A 94 0.037 -2.653 2.977 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.563 -3.424 0.373 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.726 -1.846 0.092 1.00 0.00 S ATOM 0 H CYS A 94 -2.444 -1.931 2.552 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.141 -4.803 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.988 -4.216 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.537 -3.396 -0.115 1.00 0.00 H new ATOM 0 HG CYS A 94 0.399 -1.830 0.742 1.00 0.00 H new ATOM 1497 N PHE A 95 0.177 -4.890 2.776 1.00 0.00 N ATOM 1498 CA PHE A 95 1.457 -4.996 3.457 1.00 0.00 C ATOM 1499 C PHE A 95 2.556 -5.276 2.444 1.00 0.00 C ATOM 1500 O PHE A 95 2.857 -6.433 2.146 1.00 0.00 O ATOM 1501 CB PHE A 95 1.421 -6.113 4.502 1.00 0.00 C ATOM 1502 CG PHE A 95 1.046 -5.644 5.879 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.275 -5.378 6.200 1.00 0.00 C ATOM 1504 CD2 PHE A 95 2.016 -5.475 6.853 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.620 -4.953 7.468 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.678 -5.048 8.121 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.357 -4.787 8.429 1.00 0.00 C ATOM 0 H PHE A 95 -0.203 -5.782 2.460 1.00 0.00 H new ATOM 0 HA PHE A 95 1.660 -4.052 3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.710 -6.875 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.401 -6.589 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.043 -5.504 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.050 -5.680 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.653 -4.751 7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.444 -4.918 8.871 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.089 -4.453 9.421 1.00 0.00 H new ATOM 1517 N THR A 96 3.143 -4.218 1.905 1.00 0.00 N ATOM 1518 CA THR A 96 4.197 -4.369 0.912 1.00 0.00 C ATOM 1519 C THR A 96 5.562 -4.459 1.571 1.00 0.00 C ATOM 1520 O THR A 96 5.955 -3.576 2.331 1.00 0.00 O ATOM 1521 CB THR A 96 4.169 -3.210 -0.083 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.630 -2.046 0.516 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.351 -3.513 -1.318 1.00 0.00 C ATOM 0 H THR A 96 2.910 -3.252 2.136 1.00 0.00 H new ATOM 0 HA THR A 96 4.015 -5.299 0.374 1.00 0.00 H new ATOM 0 HB THR A 96 5.206 -3.053 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.359 -1.449 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.369 -2.652 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.772 -4.379 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.322 -3.727 -1.029 1.00 0.00 H new ATOM 1531 N LEU A 97 6.283 -5.532 1.267 1.00 0.00 N ATOM 1532 CA LEU A 97 7.616 -5.746 1.819 1.00 0.00 C ATOM 1533 C LEU A 97 8.417 -4.446 1.804 1.00 0.00 C ATOM 1534 O LEU A 97 8.396 -3.711 0.819 1.00 0.00 O ATOM 1535 CB LEU A 97 8.339 -6.825 1.026 1.00 0.00 C ATOM 1536 CG LEU A 97 7.609 -8.167 0.975 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.185 -9.022 -0.122 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.692 -8.885 2.316 1.00 0.00 C ATOM 0 H LEU A 97 5.965 -6.270 0.639 1.00 0.00 H new ATOM 0 HA LEU A 97 7.518 -6.075 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.492 -6.469 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.326 -6.979 1.461 1.00 0.00 H new ATOM 0 HG LEU A 97 6.556 -7.981 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.660 -9.977 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.069 -8.513 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.244 -9.196 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.165 -9.837 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.737 -9.065 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.234 -8.267 3.088 1.00 0.00 H new ATOM 1550 N VAL A 98 9.104 -4.152 2.903 1.00 0.00 N ATOM 1551 CA VAL A 98 9.893 -2.919 3.007 1.00 0.00 C ATOM 1552 C VAL A 98 10.742 -2.684 1.759 1.00 0.00 C ATOM 1553 O VAL A 98 11.057 -1.543 1.420 1.00 0.00 O ATOM 1554 CB VAL A 98 10.811 -2.906 4.256 1.00 0.00 C ATOM 1555 CG1 VAL A 98 10.216 -2.027 5.345 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.057 -4.311 4.780 1.00 0.00 C ATOM 0 H VAL A 98 9.134 -4.744 3.733 1.00 0.00 H new ATOM 0 HA VAL A 98 9.167 -2.112 3.105 1.00 0.00 H new ATOM 0 HB VAL A 98 11.773 -2.490 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.874 -2.030 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.110 -1.008 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.237 -2.413 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.704 -4.265 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.107 -4.768 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.537 -4.909 4.005 1.00 0.00 H new ATOM 1566 N ASP A 99 11.106 -3.765 1.074 1.00 0.00 N ATOM 1567 CA ASP A 99 11.915 -3.663 -0.138 1.00 0.00 C ATOM 1568 C ASP A 99 11.124 -3.015 -1.275 1.00 0.00 C ATOM 1569 O ASP A 99 11.703 -2.481 -2.221 1.00 0.00 O ATOM 1570 CB ASP A 99 12.398 -5.047 -0.571 1.00 0.00 C ATOM 1571 CG ASP A 99 13.624 -5.500 0.200 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.751 -5.241 -0.272 1.00 0.00 O ATOM 1573 OD2 ASP A 99 13.454 -6.114 1.274 1.00 0.00 O ATOM 0 H ASP A 99 10.855 -4.718 1.336 1.00 0.00 H new ATOM 0 HA ASP A 99 12.776 -3.034 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.595 -5.770 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.627 -5.032 -1.636 1.00 0.00 H new ATOM 1578 N ILE A 100 9.799 -3.071 -1.176 1.00 0.00 N ATOM 1579 CA ILE A 100 8.926 -2.495 -2.193 1.00 0.00 C ATOM 1580 C ILE A 100 8.975 -0.969 -2.166 1.00 0.00 C ATOM 1581 O ILE A 100 8.921 -0.360 -1.097 1.00 0.00 O ATOM 1582 CB ILE A 100 7.461 -2.931 -1.995 1.00 0.00 C ATOM 1583 CG1 ILE A 100 7.367 -4.444 -1.750 1.00 0.00 C ATOM 1584 CG2 ILE A 100 6.619 -2.518 -3.196 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.372 -5.276 -3.014 1.00 0.00 C ATOM 0 H ILE A 100 9.306 -3.511 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 100 9.290 -2.861 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 100 7.068 -2.428 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.203 -4.752 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.454 -4.655 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.587 -2.832 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.655 -1.435 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.012 -2.991 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.303 -6.332 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.521 -4.999 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.296 -5.097 -3.564 1.00 0.00 H new ATOM 1597 N PRO A 101 9.059 -0.326 -3.343 1.00 0.00 N ATOM 1598 CA PRO A 101 9.094 1.137 -3.436 1.00 0.00 C ATOM 1599 C PRO A 101 7.781 1.759 -2.979 1.00 0.00 C ATOM 1600 O PRO A 101 6.963 1.098 -2.338 1.00 0.00 O ATOM 1601 CB PRO A 101 9.323 1.399 -4.928 1.00 0.00 C ATOM 1602 CG PRO A 101 8.830 0.171 -5.612 1.00 0.00 C ATOM 1603 CD PRO A 101 9.112 -0.964 -4.671 1.00 0.00 C ATOM 0 HA PRO A 101 9.863 1.574 -2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.779 2.283 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.378 1.574 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.764 0.245 -5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.338 0.024 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.371 -1.758 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.087 -1.413 -4.863 1.00 0.00 H new ATOM 1611 N LYS A 102 7.578 3.028 -3.309 1.00 0.00 N ATOM 1612 CA LYS A 102 6.358 3.727 -2.928 1.00 0.00 C ATOM 1613 C LYS A 102 5.462 3.960 -4.142 1.00 0.00 C ATOM 1614 O LYS A 102 5.245 5.099 -4.555 1.00 0.00 O ATOM 1615 CB LYS A 102 6.698 5.061 -2.259 1.00 0.00 C ATOM 1616 CG LYS A 102 6.700 4.997 -0.741 1.00 0.00 C ATOM 1617 CD LYS A 102 5.291 5.092 -0.178 1.00 0.00 C ATOM 1618 CE LYS A 102 4.632 6.410 -0.548 1.00 0.00 C ATOM 1619 NZ LYS A 102 3.654 6.851 0.484 1.00 0.00 N ATOM 0 H LYS A 102 8.241 3.593 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 102 5.816 3.103 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.679 5.390 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.979 5.814 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.161 4.064 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.308 5.809 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.690 4.265 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.324 4.992 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.397 7.176 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.125 6.306 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.456 7.865 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.771 6.311 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.050 6.685 1.431 1.00 0.00 H new ATOM 1633 N ILE A 103 4.942 2.875 -4.709 1.00 0.00 N ATOM 1634 CA ILE A 103 4.071 2.975 -5.873 1.00 0.00 C ATOM 1635 C ILE A 103 3.300 1.680 -6.126 1.00 0.00 C ATOM 1636 O ILE A 103 2.147 1.724 -6.557 1.00 0.00 O ATOM 1637 CB ILE A 103 4.861 3.376 -7.137 1.00 0.00 C ATOM 1638 CG1 ILE A 103 3.922 3.528 -8.339 1.00 0.00 C ATOM 1639 CG2 ILE A 103 5.955 2.360 -7.434 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.085 4.786 -8.297 1.00 0.00 C ATOM 0 H ILE A 103 5.108 1.923 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 103 3.348 3.760 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 103 5.334 4.340 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.514 3.526 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.261 2.663 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.499 2.662 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.643 2.310 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.507 1.380 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.445 4.827 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.467 4.782 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.739 5.658 -8.283 1.00 0.00 H new ATOM 1652 N LEU A 104 3.913 0.529 -5.851 1.00 0.00 N ATOM 1653 CA LEU A 104 3.218 -0.740 -6.056 1.00 0.00 C ATOM 1654 C LEU A 104 1.996 -0.806 -5.152 1.00 0.00 C ATOM 1655 O LEU A 104 0.872 -0.843 -5.641 1.00 0.00 O ATOM 1656 CB LEU A 104 4.125 -1.957 -5.817 1.00 0.00 C ATOM 1657 CG LEU A 104 3.400 -3.314 -5.888 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.496 -3.913 -7.283 1.00 0.00 C ATOM 1659 CD2 LEU A 104 3.949 -4.289 -4.855 1.00 0.00 C ATOM 0 H LEU A 104 4.865 0.449 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 104 2.910 -0.779 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.927 -1.948 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.593 -1.859 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 104 2.349 -3.134 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.976 -4.871 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.037 -3.235 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.544 -4.064 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.417 -5.237 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.011 -4.453 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.813 -3.875 -3.856 1.00 0.00 H new ATOM 1671 N PRO A 105 2.185 -0.785 -3.816 1.00 0.00 N ATOM 1672 CA PRO A 105 1.074 -0.819 -2.864 1.00 0.00 C ATOM 1673 C PRO A 105 -0.034 0.137 -3.279 1.00 0.00 C ATOM 1674 O PRO A 105 -1.218 -0.112 -3.042 1.00 0.00 O ATOM 1675 CB PRO A 105 1.705 -0.372 -1.534 1.00 0.00 C ATOM 1676 CG PRO A 105 3.114 0.017 -1.855 1.00 0.00 C ATOM 1677 CD PRO A 105 3.476 -0.692 -3.125 1.00 0.00 C ATOM 0 HA PRO A 105 0.613 -1.805 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.157 0.467 -1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.680 -1.178 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.200 1.097 -1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.788 -0.267 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.209 -0.133 -3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.905 -1.675 -2.933 1.00 0.00 H new ATOM 1685 N ILE A 106 0.370 1.228 -3.919 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.564 2.232 -4.396 1.00 0.00 C ATOM 1687 C ILE A 106 -1.321 1.712 -5.613 1.00 0.00 C ATOM 1688 O ILE A 106 -2.531 1.902 -5.735 1.00 0.00 O ATOM 1689 CB ILE A 106 0.172 3.538 -4.752 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.832 4.143 -3.511 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.769 4.543 -5.398 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.124 3.464 -3.117 1.00 0.00 C ATOM 0 H ILE A 106 1.348 1.438 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.276 2.443 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 106 0.951 3.294 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.028 5.200 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.134 4.088 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.220 5.454 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.183 4.118 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.579 4.779 -4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.533 3.947 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.932 2.413 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.840 3.542 -3.935 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.595 1.042 -6.503 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.191 0.478 -7.703 1.00 0.00 C ATOM 1706 C ARG A 107 -1.960 -0.800 -7.377 1.00 0.00 C ATOM 1707 O ARG A 107 -2.868 -1.190 -8.108 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.110 0.183 -8.746 1.00 0.00 C ATOM 1709 CG ARG A 107 0.200 1.365 -9.650 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.954 1.667 -10.590 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.124 3.102 -10.807 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.804 3.623 -11.826 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -2.381 2.830 -12.722 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -1.909 4.938 -11.951 1.00 0.00 N ATOM 0 H ARG A 107 0.408 0.878 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.889 1.209 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.803 -0.122 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.429 -0.660 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.414 2.243 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.098 1.154 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.781 1.174 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.874 1.251 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.696 3.742 -10.138 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.304 1.817 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.901 3.234 -13.501 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.469 5.552 -11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.430 5.336 -12.732 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.599 -1.444 -6.267 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.264 -2.670 -5.843 1.00 0.00 C ATOM 1730 C ILE A 108 -3.676 -2.366 -5.372 1.00 0.00 C ATOM 1731 O ILE A 108 -4.647 -2.870 -5.935 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.486 -3.380 -4.715 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.015 -3.520 -5.102 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.093 -4.745 -4.414 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.254 -4.637 -6.083 1.00 0.00 C ATOM 0 H ILE A 108 -0.850 -1.135 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.299 -3.337 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.556 -2.774 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.329 -2.580 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.573 -3.691 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.528 -5.226 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.130 -4.621 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.056 -5.365 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.320 -4.674 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.057 -5.587 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.306 -4.458 -7.001 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.792 -1.523 -4.351 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.101 -1.142 -3.836 1.00 0.00 C ATOM 1749 C LEU A 109 -5.892 -0.433 -4.920 1.00 0.00 C ATOM 1750 O LEU A 109 -6.990 -0.858 -5.279 1.00 0.00 O ATOM 1751 CB LEU A 109 -4.955 -0.245 -2.602 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.769 -0.978 -1.263 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.740 -2.490 -1.460 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.499 -0.507 -0.571 1.00 0.00 C ATOM 0 H LEU A 109 -3.003 -1.094 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.638 -2.042 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.102 0.416 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.839 0.388 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.622 -0.739 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.607 -2.980 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.679 -2.817 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.913 -2.755 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.383 -1.036 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.639 -0.712 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.564 0.565 -0.382 1.00 0.00 H new ATOM 1766 N SER A 110 -5.313 0.628 -5.467 1.00 0.00 N ATOM 1767 CA SER A 110 -5.958 1.364 -6.544 1.00 0.00 C ATOM 1768 C SER A 110 -6.191 0.428 -7.724 1.00 0.00 C ATOM 1769 O SER A 110 -7.106 0.628 -8.525 1.00 0.00 O ATOM 1770 CB SER A 110 -5.098 2.554 -6.973 1.00 0.00 C ATOM 1771 OG SER A 110 -5.895 3.583 -7.533 1.00 0.00 O ATOM 0 H SER A 110 -4.404 0.995 -5.185 1.00 0.00 H new ATOM 0 HA SER A 110 -6.915 1.748 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.551 2.940 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.356 2.227 -7.702 1.00 0.00 H new ATOM 0 HG SER A 110 -5.322 4.333 -7.798 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.364 -0.616 -7.807 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.494 -1.589 -8.870 1.00 0.00 C ATOM 1779 C GLY A 111 -6.707 -2.471 -8.670 1.00 0.00 C ATOM 1780 O GLY A 111 -7.492 -2.669 -9.595 1.00 0.00 O ATOM 0 H GLY A 111 -4.605 -0.801 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.571 -1.075 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.597 -2.207 -8.911 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.882 -2.984 -7.449 1.00 0.00 N ATOM 1785 CA LEU A 112 -8.038 -3.822 -7.145 1.00 0.00 C ATOM 1786 C LEU A 112 -9.311 -3.056 -7.483 1.00 0.00 C ATOM 1787 O LEU A 112 -10.344 -3.647 -7.799 1.00 0.00 O ATOM 1788 CB LEU A 112 -8.054 -4.236 -5.664 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.803 -4.966 -5.157 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.605 -4.711 -3.669 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -6.897 -6.461 -5.422 1.00 0.00 C ATOM 0 H LEU A 112 -6.245 -2.835 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.977 -4.730 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.199 -3.341 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.919 -4.878 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.943 -4.575 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.714 -5.236 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.486 -3.641 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.474 -5.073 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.997 -6.953 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.769 -6.867 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.992 -6.635 -6.494 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.213 -1.728 -7.437 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.337 -0.866 -7.760 1.00 0.00 C ATOM 1805 C GLN A 113 -10.602 -0.881 -9.261 1.00 0.00 C ATOM 1806 O GLN A 113 -11.688 -0.514 -9.710 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.064 0.564 -7.284 1.00 0.00 C ATOM 1808 CG GLN A 113 -11.117 1.097 -6.327 1.00 0.00 C ATOM 1809 CD GLN A 113 -12.439 1.384 -7.013 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -12.456 2.412 -7.854 1.00 0.00 O flip ATOM 1811 NE2 GLN A 113 -13.431 0.691 -6.791 1.00 0.00 N flip ATOM 0 H GLN A 113 -8.362 -1.229 -7.178 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.222 -1.242 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.091 0.596 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.006 1.222 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.276 0.373 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.749 2.010 -5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.372 -0.089 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.312 0.897 -7.261 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.611 -1.325 -10.040 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.765 -1.401 -11.483 1.00 0.00 C ATOM 1822 C GLU A 114 -10.743 -2.510 -11.833 1.00 0.00 C ATOM 1823 O GLU A 114 -11.370 -2.490 -12.893 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.414 -1.657 -12.155 1.00 0.00 C ATOM 1825 CG GLU A 114 -7.401 -0.547 -11.928 1.00 0.00 C ATOM 1826 CD GLU A 114 -7.137 0.266 -13.180 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -5.965 0.631 -13.415 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -8.100 0.538 -13.926 1.00 0.00 O ATOM 0 H GLU A 114 -8.703 -1.633 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.153 -0.450 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.003 -2.594 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.569 -1.783 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.762 0.114 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.465 -0.981 -11.577 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.878 -3.477 -10.926 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.786 -4.587 -11.136 1.00 0.00 C ATOM 1837 C TYR A 115 -13.087 -4.371 -10.363 1.00 0.00 C ATOM 1838 O TYR A 115 -13.357 -3.275 -9.876 1.00 0.00 O ATOM 1839 CB TYR A 115 -11.146 -5.902 -10.695 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.749 -6.136 -11.222 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.495 -7.150 -12.137 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.679 -5.359 -10.793 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.219 -7.383 -12.610 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.400 -5.584 -11.264 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.175 -6.599 -12.171 1.00 0.00 C ATOM 1846 OH TYR A 115 -5.901 -6.827 -12.640 1.00 0.00 O ATOM 0 H TYR A 115 -10.368 -3.508 -10.043 1.00 0.00 H new ATOM 0 HA TYR A 115 -12.007 -4.640 -12.202 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.117 -5.928 -9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.783 -6.726 -11.017 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.310 -7.767 -12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.851 -4.566 -10.080 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.040 -8.176 -13.321 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.580 -4.968 -10.924 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.400 -5.985 -12.649 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.881 -5.432 -10.247 1.00 0.00 N ATOM 1857 CA GLU A 116 -15.149 -5.369 -9.526 1.00 0.00 C ATOM 1858 C GLU A 116 -15.213 -6.436 -8.426 1.00 0.00 C ATOM 1859 O GLU A 116 -16.188 -6.511 -7.680 1.00 0.00 O ATOM 1860 CB GLU A 116 -16.318 -5.551 -10.496 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.672 -5.641 -9.812 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.764 -4.925 -10.582 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -18.901 -3.694 -10.413 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -19.484 -5.592 -11.353 1.00 0.00 O ATOM 0 H GLU A 116 -13.668 -6.347 -10.644 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.221 -4.388 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.330 -4.716 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.156 -6.456 -11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.945 -6.689 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.598 -5.214 -8.812 1.00 0.00 H new ATOM 1871 N SER A 117 -14.169 -7.257 -8.332 1.00 0.00 N ATOM 1872 CA SER A 117 -14.110 -8.317 -7.330 1.00 0.00 C ATOM 1873 C SER A 117 -12.816 -8.245 -6.532 1.00 0.00 C ATOM 1874 O SER A 117 -11.720 -8.291 -7.083 1.00 0.00 O ATOM 1875 CB SER A 117 -14.241 -9.686 -8.000 1.00 0.00 C ATOM 1876 OG SER A 117 -15.468 -9.795 -8.701 1.00 0.00 O ATOM 0 H SER A 117 -13.351 -7.208 -8.939 1.00 0.00 H new ATOM 0 HA SER A 117 -14.942 -8.177 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.410 -9.838 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.178 -10.471 -7.246 1.00 0.00 H new ATOM 0 HG SER A 117 -15.527 -10.678 -9.122 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.968 -8.140 -5.227 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.842 -8.068 -4.310 1.00 0.00 C ATOM 1884 C ASN A 118 -12.363 -8.166 -2.889 1.00 0.00 C ATOM 1885 O ASN A 118 -11.894 -7.469 -1.991 1.00 0.00 O ATOM 1886 CB ASN A 118 -11.068 -6.761 -4.503 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.984 -5.559 -4.639 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -12.117 -4.985 -5.719 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -12.619 -5.173 -3.537 1.00 0.00 N ATOM 0 H ASN A 118 -13.878 -8.102 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.159 -8.893 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.399 -6.610 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.443 -6.840 -5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -13.247 -4.370 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -12.478 -5.680 -2.663 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.375 -9.011 -2.713 1.00 0.00 N ATOM 1897 CA ALA A 119 -14.017 -9.189 -1.415 1.00 0.00 C ATOM 1898 C ALA A 119 -13.812 -10.586 -0.824 1.00 0.00 C ATOM 1899 O ALA A 119 -14.714 -11.115 -0.173 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.501 -8.900 -1.551 1.00 0.00 C ATOM 0 H ALA A 119 -13.769 -9.586 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.547 -8.490 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.987 -9.031 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.642 -7.874 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.941 -9.587 -2.274 1.00 0.00 H new ATOM 1906 N THR A 120 -12.640 -11.188 -1.027 1.00 0.00 N ATOM 1907 CA THR A 120 -12.387 -12.515 -0.473 1.00 0.00 C ATOM 1908 C THR A 120 -10.919 -12.694 -0.110 1.00 0.00 C ATOM 1909 O THR A 120 -10.038 -12.082 -0.713 1.00 0.00 O ATOM 1910 CB THR A 120 -12.826 -13.617 -1.449 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.706 -14.265 -2.025 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.701 -13.117 -2.580 1.00 0.00 C ATOM 0 H THR A 120 -11.867 -10.788 -1.559 1.00 0.00 H new ATOM 0 HA THR A 120 -12.979 -12.602 0.438 1.00 0.00 H new ATOM 0 HB THR A 120 -13.411 -14.308 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.012 -14.994 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.971 -13.951 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.606 -12.669 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.157 -12.370 -3.158 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.658 -13.550 0.874 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.292 -13.814 1.311 1.00 0.00 C ATOM 1922 C ASN A 121 -8.524 -14.626 0.279 1.00 0.00 C ATOM 1923 O ASN A 121 -7.524 -15.267 0.603 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.293 -14.543 2.656 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.108 -13.814 3.707 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -10.033 -12.591 3.831 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -10.893 -14.566 4.471 1.00 0.00 N ATOM 0 H ASN A 121 -11.373 -14.071 1.382 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.791 -12.853 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -9.694 -15.548 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.267 -14.653 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -11.465 -14.133 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.923 -15.576 4.333 1.00 0.00 H new ATOM 1934 N GLU A 122 -8.977 -14.581 -0.965 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.314 -15.293 -2.033 1.00 0.00 C ATOM 1936 C GLU A 122 -8.802 -14.772 -3.369 1.00 0.00 C ATOM 1937 O GLU A 122 -8.782 -15.483 -4.373 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.570 -16.798 -1.921 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.340 -17.645 -2.199 1.00 0.00 C ATOM 1940 CD GLU A 122 -6.760 -17.396 -3.578 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -5.582 -16.991 -3.662 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.484 -17.608 -4.573 1.00 0.00 O ATOM 0 H GLU A 122 -9.803 -14.057 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.240 -15.127 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.937 -17.022 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.359 -17.077 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.581 -17.434 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.600 -18.699 -2.103 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.250 -13.516 -3.378 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.745 -12.908 -4.587 1.00 0.00 C ATOM 1951 C LEU A 123 -8.995 -11.621 -4.855 1.00 0.00 C ATOM 1952 O LEU A 123 -8.369 -11.463 -5.902 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.234 -12.648 -4.452 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.946 -12.358 -5.756 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.428 -12.629 -5.600 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.689 -10.925 -6.170 1.00 0.00 C ATOM 0 H LEU A 123 -9.275 -12.911 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.586 -13.581 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.700 -13.516 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.382 -11.805 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.562 -13.011 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.937 -12.419 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.580 -13.674 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.834 -11.989 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.203 -10.720 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.061 -10.251 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.618 -10.771 -6.301 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.027 -10.715 -3.888 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.308 -9.464 -4.017 1.00 0.00 C ATOM 1970 C LEU A 124 -6.863 -9.777 -4.374 1.00 0.00 C ATOM 1971 O LEU A 124 -6.259 -9.129 -5.226 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.407 -8.661 -2.717 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.144 -8.617 -1.854 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.872 -7.195 -1.408 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.278 -9.552 -0.662 1.00 0.00 C ATOM 0 H LEU A 124 -9.540 -10.825 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.745 -8.852 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.688 -7.638 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.217 -9.077 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.296 -8.958 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.972 -7.172 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.731 -6.560 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.717 -6.828 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.370 -9.507 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.131 -9.248 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.429 -10.572 -1.015 1.00 0.00 H new ATOM 1987 N SER A 125 -6.331 -10.810 -3.721 1.00 0.00 N ATOM 1988 CA SER A 125 -4.967 -11.254 -3.975 1.00 0.00 C ATOM 1989 C SER A 125 -4.748 -11.466 -5.470 1.00 0.00 C ATOM 1990 O SER A 125 -3.642 -11.277 -5.987 1.00 0.00 O ATOM 1991 CB SER A 125 -4.693 -12.560 -3.225 1.00 0.00 C ATOM 1992 OG SER A 125 -5.594 -13.579 -3.629 1.00 0.00 O ATOM 0 H SER A 125 -6.826 -11.353 -3.013 1.00 0.00 H new ATOM 0 HA SER A 125 -4.280 -10.485 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.668 -12.882 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.785 -12.393 -2.152 1.00 0.00 H new ATOM 0 HG SER A 125 -5.397 -14.403 -3.137 1.00 0.00 H new ATOM 1998 N SER A 126 -5.815 -11.861 -6.159 1.00 0.00 N ATOM 1999 CA SER A 126 -5.746 -12.105 -7.589 1.00 0.00 C ATOM 2000 C SER A 126 -5.358 -10.855 -8.345 1.00 0.00 C ATOM 2001 O SER A 126 -4.327 -10.812 -9.017 1.00 0.00 O ATOM 2002 CB SER A 126 -7.095 -12.609 -8.095 1.00 0.00 C ATOM 2003 OG SER A 126 -6.935 -13.636 -9.057 1.00 0.00 O ATOM 0 H SER A 126 -6.735 -12.018 -5.747 1.00 0.00 H new ATOM 0 HA SER A 126 -4.980 -12.860 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.683 -12.982 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.653 -11.782 -8.533 1.00 0.00 H new ATOM 0 HG SER A 126 -6.626 -13.247 -9.902 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.191 -9.839 -8.236 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.936 -8.590 -8.912 1.00 0.00 C ATOM 2011 C HIS A 127 -4.611 -8.014 -8.458 1.00 0.00 C ATOM 2012 O HIS A 127 -3.898 -7.402 -9.239 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.093 -7.626 -8.667 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.388 -8.158 -9.194 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -8.631 -9.137 -10.098 1.00 0.00 N flip ATOM 2016 CD2 HIS A 127 -9.621 -7.698 -8.789 1.00 0.00 C flip ATOM 2017 CE1 HIS A 127 -9.992 -9.251 -10.220 1.00 0.00 C flip ATOM 2018 NE2 HIS A 127 -10.568 -8.374 -9.422 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.049 -9.857 -7.685 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.866 -8.760 -9.986 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -7.187 -7.437 -7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.874 -6.669 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.789 -6.911 -8.069 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -10.508 -9.946 -10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -11.573 -8.239 -9.311 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.257 -8.247 -7.200 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.984 -7.768 -6.688 1.00 0.00 C ATOM 2029 C VAL A 128 -1.859 -8.244 -7.593 1.00 0.00 C ATOM 2030 O VAL A 128 -0.981 -7.469 -7.966 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.720 -8.238 -5.247 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.392 -7.685 -4.733 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.873 -7.822 -4.344 1.00 0.00 C ATOM 0 H VAL A 128 -4.826 -8.758 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.025 -6.679 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.651 -9.326 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.225 -8.030 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.581 -8.035 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.421 -6.595 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.678 -8.159 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.970 -6.736 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.798 -8.273 -4.704 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.906 -9.521 -7.975 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.888 -10.045 -8.864 1.00 0.00 C ATOM 2045 C GLY A 129 -1.090 -9.563 -10.290 1.00 0.00 C ATOM 2046 O GLY A 129 -0.140 -9.154 -10.959 1.00 0.00 O ATOM 0 H GLY A 129 -2.620 -10.190 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.097 -9.738 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.910 -11.135 -8.841 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.342 -9.596 -10.746 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.681 -9.146 -12.092 1.00 0.00 C ATOM 2052 C GLN A 130 -2.391 -7.656 -12.249 1.00 0.00 C ATOM 2053 O GLN A 130 -2.207 -7.161 -13.361 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.153 -9.428 -12.395 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.398 -10.795 -13.012 1.00 0.00 C ATOM 2056 CD GLN A 130 -5.777 -11.339 -12.699 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -5.970 -12.043 -11.708 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -6.748 -11.016 -13.545 1.00 0.00 N ATOM 0 H GLN A 130 -3.137 -9.930 -10.201 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.064 -9.698 -12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.727 -9.348 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.529 -8.661 -13.072 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -4.275 -10.729 -14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -3.645 -11.494 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -6.545 -10.430 -14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -7.697 -11.354 -13.385 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.327 -6.950 -11.121 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.029 -5.528 -11.120 1.00 0.00 C ATOM 2069 C ILE A 131 -0.520 -5.344 -11.012 1.00 0.00 C ATOM 2070 O ILE A 131 0.044 -4.362 -11.494 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.745 -4.804 -9.962 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.254 -4.940 -10.122 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.368 -3.330 -9.906 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.994 -4.866 -8.812 1.00 0.00 C ATOM 0 H ILE A 131 -2.479 -7.347 -10.194 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.392 -5.088 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.428 -5.270 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.616 -4.152 -10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.478 -5.890 -10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.891 -2.852 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.292 -3.235 -9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.650 -2.846 -10.841 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.064 -4.969 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.657 -5.670 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.797 -3.905 -8.337 1.00 0.00 H new ATOM 2086 N LEU A 132 0.123 -6.336 -10.395 1.00 0.00 N ATOM 2087 CA LEU A 132 1.567 -6.351 -10.231 1.00 0.00 C ATOM 2088 C LEU A 132 2.251 -6.360 -11.594 1.00 0.00 C ATOM 2089 O LEU A 132 3.247 -5.671 -11.810 1.00 0.00 O ATOM 2090 CB LEU A 132 1.978 -7.598 -9.440 1.00 0.00 C ATOM 2091 CG LEU A 132 2.728 -7.336 -8.135 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.749 -7.032 -7.011 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.598 -8.533 -7.779 1.00 0.00 C ATOM 0 H LEU A 132 -0.347 -7.149 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 132 1.873 -5.456 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.081 -8.174 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.604 -8.221 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 132 3.373 -6.468 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.300 -6.848 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.164 -6.149 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.081 -7.882 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.127 -8.334 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.970 -9.416 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.320 -8.708 -8.576 1.00 0.00 H new ATOM 2105 N ASP A 133 1.706 -7.156 -12.508 1.00 0.00 N ATOM 2106 CA ASP A 133 2.258 -7.265 -13.854 1.00 0.00 C ATOM 2107 C ASP A 133 2.119 -5.944 -14.607 1.00 0.00 C ATOM 2108 O ASP A 133 3.019 -5.537 -15.339 1.00 0.00 O ATOM 2109 CB ASP A 133 1.557 -8.381 -14.631 1.00 0.00 C ATOM 2110 CG ASP A 133 2.105 -9.753 -14.292 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.332 -9.867 -14.091 1.00 0.00 O ATOM 2112 OD2 ASP A 133 1.308 -10.712 -14.229 1.00 0.00 O ATOM 0 H ASP A 133 0.883 -7.735 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 133 3.317 -7.505 -13.764 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.489 -8.356 -14.414 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.670 -8.202 -15.700 1.00 0.00 H new ATOM 2117 N SER A 134 0.984 -5.280 -14.416 1.00 0.00 N ATOM 2118 CA SER A 134 0.725 -4.005 -15.073 1.00 0.00 C ATOM 2119 C SER A 134 1.328 -2.843 -14.282 1.00 0.00 C ATOM 2120 O SER A 134 1.469 -1.736 -14.799 1.00 0.00 O ATOM 2121 CB SER A 134 -0.782 -3.795 -15.245 1.00 0.00 C ATOM 2122 OG SER A 134 -1.160 -3.908 -16.605 1.00 0.00 O ATOM 0 H SER A 134 0.229 -5.604 -13.811 1.00 0.00 H new ATOM 0 HA SER A 134 1.198 -4.030 -16.055 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.325 -4.530 -14.651 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.061 -2.811 -14.867 1.00 0.00 H new ATOM 0 HG SER A 134 -2.127 -3.772 -16.688 1.00 0.00 H new ATOM 2128 N PHE A 135 1.682 -3.104 -13.024 1.00 0.00 N ATOM 2129 CA PHE A 135 2.269 -2.081 -12.164 1.00 0.00 C ATOM 2130 C PHE A 135 3.477 -1.429 -12.834 1.00 0.00 C ATOM 2131 O PHE A 135 3.520 -0.211 -13.005 1.00 0.00 O ATOM 2132 CB PHE A 135 2.665 -2.699 -10.815 1.00 0.00 C ATOM 2133 CG PHE A 135 3.724 -1.932 -10.072 1.00 0.00 C ATOM 2134 CD1 PHE A 135 3.575 -0.576 -9.832 1.00 0.00 C ATOM 2135 CD2 PHE A 135 4.865 -2.569 -9.615 1.00 0.00 C ATOM 2136 CE1 PHE A 135 4.547 0.130 -9.149 1.00 0.00 C ATOM 2137 CE2 PHE A 135 5.841 -1.870 -8.932 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.682 -0.517 -8.699 1.00 0.00 C ATOM 0 H PHE A 135 1.572 -4.015 -12.579 1.00 0.00 H new ATOM 0 HA PHE A 135 1.525 -1.303 -11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.777 -2.772 -10.187 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.020 -3.716 -10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.690 -0.065 -10.182 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.994 -3.626 -9.795 1.00 0.00 H new ATOM 0 HE1 PHE A 135 4.420 1.187 -8.967 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.726 -2.379 -8.581 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.443 0.033 -8.166 1.00 0.00 H new