USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1011 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 Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.05) USER MOD Single : A 15 MET CE :methyl 150:sc= -0.262 (180deg=-1.18) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.488 (180deg=-1.75!) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 29 SER OG : rot -44:sc= 0.727 USER MOD Single : A 30 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 36 TYR OH : rot -136:sc= -3.48! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= -0.201 (180deg=-0.786) USER MOD Single : A 53 SER OG : rot 58:sc= -0.647 USER MOD Single : A 60 SER OG : rot -49:sc= 0.136 USER MOD Single : A 63 SER OG : rot 55:sc= 0.582 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00425 USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 73 GLN : amide:sc= -3.33 K(o=-3.3,f=-7.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= -1.12 (180deg=-2.43) USER MOD Single : A 87 MET CE :methyl -132:sc= -0.775 (180deg=-1.62) USER MOD Single : A 91 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.33) USER MOD Single : A 96 THR OG1 : rot -49:sc= 0.796 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -176:sc= -0.664 (180deg=-0.743) USER MOD Single : A 105 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.31) USER MOD Single : A 106 MET CE :methyl -154:sc= -0.469 (180deg=-1.69) USER MOD Single : A 108 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 110 SER OG : rot 127:sc= -4.07! USER MOD Single : A 111 HIS :FLIP no HD1:sc= -1.6 F(o=-2.7,f=-1.6) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 118 LYS NZ :NH3+ -119:sc= -2.35! (180deg=-6.15!) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.204 F(o=-0.97,f=-0.2) USER MOD Single : A 126 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0087) USER MOD Single : A 128 LYS NZ :NH3+ -161:sc= -0.0448 (180deg=-0.695) USER MOD ----------------------------------------------------------------- ATOM 106 N ASP A 8 18.337 -9.150 -9.433 1.00 60.42 N ATOM 107 CA ASP A 8 18.714 -10.536 -9.688 1.00 42.25 C ATOM 108 C ASP A 8 17.780 -11.173 -10.712 1.00 62.53 C ATOM 109 O ASP A 8 16.595 -10.844 -10.778 1.00 2.53 O ATOM 110 CB ASP A 8 18.692 -11.341 -8.388 1.00 53.32 C ATOM 111 CG ASP A 8 19.563 -10.725 -7.311 1.00 61.21 C ATOM 112 OD1 ASP A 8 20.305 -9.770 -7.622 1.00 73.14 O ATOM 113 OD2 ASP A 8 19.504 -11.199 -6.157 1.00 22.11 O ATOM 0 HA ASP A 8 19.726 -10.543 -10.092 1.00 42.25 H new ATOM 0 HB2 ASP A 8 17.667 -11.412 -8.025 1.00 53.32 H new ATOM 0 HB3 ASP A 8 19.031 -12.358 -8.588 1.00 53.32 H new ATOM 118 N LEU A 9 18.321 -12.087 -11.510 1.00 62.24 N ATOM 119 CA LEU A 9 17.537 -12.771 -12.533 1.00 34.13 C ATOM 120 C LEU A 9 17.486 -14.272 -12.267 1.00 25.30 C ATOM 121 O LEU A 9 16.625 -14.978 -12.792 1.00 10.12 O ATOM 122 CB LEU A 9 18.127 -12.506 -13.919 1.00 20.43 C ATOM 123 CG LEU A 9 19.300 -13.397 -14.330 1.00 30.11 C ATOM 124 CD1 LEU A 9 18.809 -14.583 -15.146 1.00 22.13 C ATOM 125 CD2 LEU A 9 20.328 -12.596 -15.115 1.00 62.13 C ATOM 0 H LEU A 9 19.300 -12.372 -11.468 1.00 62.24 H new ATOM 0 HA LEU A 9 16.520 -12.380 -12.498 1.00 34.13 H new ATOM 0 HB2 LEU A 9 17.334 -12.620 -14.658 1.00 20.43 H new ATOM 0 HB3 LEU A 9 18.454 -11.467 -13.960 1.00 20.43 H new ATOM 0 HG LEU A 9 19.777 -13.777 -13.427 1.00 30.11 H new ATOM 0 HD11 LEU A 9 19.657 -15.206 -15.430 1.00 22.13 H new ATOM 0 HD12 LEU A 9 18.111 -15.171 -14.550 1.00 22.13 H new ATOM 0 HD13 LEU A 9 18.306 -14.224 -16.044 1.00 22.13 H new ATOM 0 HD21 LEU A 9 21.156 -13.246 -15.399 1.00 62.13 H new ATOM 0 HD22 LEU A 9 19.863 -12.187 -16.012 1.00 62.13 H new ATOM 0 HD23 LEU A 9 20.703 -11.780 -14.497 1.00 62.13 H new ATOM 137 N VAL A 10 18.415 -14.754 -11.447 1.00 32.24 N ATOM 138 CA VAL A 10 18.475 -16.171 -11.108 1.00 34.10 C ATOM 139 C VAL A 10 17.207 -16.619 -10.390 1.00 15.52 C ATOM 140 O VAL A 10 16.696 -17.712 -10.633 1.00 31.22 O ATOM 141 CB VAL A 10 19.693 -16.485 -10.219 1.00 52.31 C ATOM 142 CG1 VAL A 10 19.686 -15.609 -8.975 1.00 60.13 C ATOM 143 CG2 VAL A 10 19.712 -17.959 -9.843 1.00 42.34 C ATOM 0 H VAL A 10 19.136 -14.184 -11.005 1.00 32.24 H new ATOM 0 HA VAL A 10 18.570 -16.717 -12.047 1.00 34.10 H new ATOM 0 HB VAL A 10 20.599 -16.266 -10.783 1.00 52.31 H new ATOM 0 HG11 VAL A 10 20.554 -15.845 -8.359 1.00 60.13 H new ATOM 0 HG12 VAL A 10 19.724 -14.560 -9.269 1.00 60.13 H new ATOM 0 HG13 VAL A 10 18.775 -15.794 -8.405 1.00 60.13 H new ATOM 0 HG21 VAL A 10 20.579 -18.163 -9.215 1.00 42.34 H new ATOM 0 HG22 VAL A 10 18.802 -18.207 -9.297 1.00 42.34 H new ATOM 0 HG23 VAL A 10 19.769 -18.565 -10.748 1.00 42.34 H new ATOM 153 N TYR A 11 16.703 -15.766 -9.505 1.00 14.13 N ATOM 154 CA TYR A 11 15.494 -16.074 -8.749 1.00 4.12 C ATOM 155 C TYR A 11 14.261 -16.010 -9.644 1.00 73.21 C ATOM 156 O TYR A 11 13.200 -16.532 -9.298 1.00 11.12 O ATOM 157 CB TYR A 11 15.339 -15.103 -7.577 1.00 51.34 C ATOM 158 CG TYR A 11 14.570 -13.849 -7.928 1.00 51.03 C ATOM 159 CD1 TYR A 11 13.189 -13.795 -7.785 1.00 11.44 C ATOM 160 CD2 TYR A 11 15.224 -12.719 -8.404 1.00 72.43 C ATOM 161 CE1 TYR A 11 12.482 -12.652 -8.105 1.00 11.45 C ATOM 162 CE2 TYR A 11 14.525 -11.572 -8.725 1.00 42.32 C ATOM 163 CZ TYR A 11 13.155 -11.543 -8.574 1.00 14.21 C ATOM 164 OH TYR A 11 12.455 -10.402 -8.894 1.00 11.11 O ATOM 0 H TYR A 11 17.113 -14.856 -9.293 1.00 14.13 H new ATOM 0 HA TYR A 11 15.587 -17.089 -8.362 1.00 4.12 H new ATOM 0 HB2 TYR A 11 14.832 -15.613 -6.758 1.00 51.34 H new ATOM 0 HB3 TYR A 11 16.328 -14.823 -7.214 1.00 51.34 H new ATOM 0 HD1 TYR A 11 12.659 -14.661 -7.417 1.00 11.44 H new ATOM 0 HD2 TYR A 11 16.297 -12.738 -8.525 1.00 72.43 H new ATOM 0 HE1 TYR A 11 11.409 -12.627 -7.989 1.00 11.45 H new ATOM 0 HE2 TYR A 11 15.049 -10.702 -9.092 1.00 42.32 H new ATOM 0 HH TYR A 11 13.078 -9.713 -9.208 1.00 11.11 H new ATOM 174 N LEU A 12 14.408 -15.368 -10.797 1.00 55.34 N ATOM 175 CA LEU A 12 13.306 -15.235 -11.745 1.00 63.20 C ATOM 176 C LEU A 12 13.157 -16.498 -12.587 1.00 22.52 C ATOM 177 O LEU A 12 12.108 -16.739 -13.182 1.00 71.11 O ATOM 178 CB LEU A 12 13.533 -14.026 -12.655 1.00 31.44 C ATOM 179 CG LEU A 12 12.986 -12.692 -12.146 1.00 72.13 C ATOM 180 CD1 LEU A 12 13.645 -11.532 -12.877 1.00 34.15 C ATOM 181 CD2 LEU A 12 11.474 -12.638 -12.310 1.00 71.35 C ATOM 0 H LEU A 12 15.279 -14.931 -11.099 1.00 55.34 H new ATOM 0 HA LEU A 12 12.387 -15.088 -11.178 1.00 63.20 H new ATOM 0 HB2 LEU A 12 14.605 -13.917 -12.821 1.00 31.44 H new ATOM 0 HB3 LEU A 12 13.080 -14.236 -13.624 1.00 31.44 H new ATOM 0 HG LEU A 12 13.219 -12.606 -11.085 1.00 72.13 H new ATOM 0 HD11 LEU A 12 13.244 -10.591 -12.502 1.00 34.15 H new ATOM 0 HD12 LEU A 12 14.722 -11.560 -12.709 1.00 34.15 H new ATOM 0 HD13 LEU A 12 13.443 -11.613 -13.945 1.00 34.15 H new ATOM 0 HD21 LEU A 12 11.102 -11.682 -11.943 1.00 71.35 H new ATOM 0 HD22 LEU A 12 11.218 -12.746 -13.364 1.00 71.35 H new ATOM 0 HD23 LEU A 12 11.017 -13.448 -11.741 1.00 71.35 H new ATOM 193 N ASN A 13 14.214 -17.303 -12.629 1.00 62.15 N ATOM 194 CA ASN A 13 14.200 -18.543 -13.397 1.00 23.21 C ATOM 195 C ASN A 13 13.918 -19.739 -12.493 1.00 34.21 C ATOM 196 O ASN A 13 13.193 -20.660 -12.871 1.00 50.34 O ATOM 197 CB ASN A 13 15.537 -18.738 -14.116 1.00 10.44 C ATOM 198 CG ASN A 13 15.611 -17.964 -15.418 1.00 3.44 C ATOM 199 OD1 ASN A 13 14.813 -18.182 -16.329 1.00 64.52 O ATOM 200 ND2 ASN A 13 16.573 -17.053 -15.510 1.00 42.30 N ATOM 0 H ASN A 13 15.090 -17.119 -12.141 1.00 62.15 H new ATOM 0 HA ASN A 13 13.403 -18.473 -14.138 1.00 23.21 H new ATOM 0 HB2 ASN A 13 16.348 -18.421 -13.461 1.00 10.44 H new ATOM 0 HB3 ASN A 13 15.687 -19.799 -14.318 1.00 10.44 H new ATOM 0 HD21 ASN A 13 16.672 -16.500 -16.362 1.00 42.30 H new ATOM 0 HD22 ASN A 13 17.213 -16.906 -14.729 1.00 42.30 H new ATOM 207 N VAL A 14 14.494 -19.718 -11.295 1.00 63.44 N ATOM 208 CA VAL A 14 14.303 -20.800 -10.336 1.00 44.41 C ATOM 209 C VAL A 14 12.823 -21.032 -10.058 1.00 33.41 C ATOM 210 O VAL A 14 12.404 -22.153 -9.769 1.00 12.12 O ATOM 211 CB VAL A 14 15.024 -20.505 -9.007 1.00 40.41 C ATOM 212 CG1 VAL A 14 16.500 -20.229 -9.250 1.00 22.54 C ATOM 213 CG2 VAL A 14 14.365 -19.334 -8.293 1.00 23.11 C ATOM 0 H VAL A 14 15.097 -18.964 -10.966 1.00 63.44 H new ATOM 0 HA VAL A 14 14.731 -21.698 -10.782 1.00 44.41 H new ATOM 0 HB VAL A 14 14.944 -21.384 -8.367 1.00 40.41 H new ATOM 0 HG11 VAL A 14 16.993 -20.023 -8.300 1.00 22.54 H new ATOM 0 HG12 VAL A 14 16.961 -21.100 -9.716 1.00 22.54 H new ATOM 0 HG13 VAL A 14 16.605 -19.367 -9.908 1.00 22.54 H new ATOM 0 HG21 VAL A 14 14.887 -19.139 -7.356 1.00 23.11 H new ATOM 0 HG22 VAL A 14 14.413 -18.448 -8.926 1.00 23.11 H new ATOM 0 HG23 VAL A 14 13.323 -19.575 -8.085 1.00 23.11 H new ATOM 223 N MET A 15 12.035 -19.966 -10.148 1.00 34.13 N ATOM 224 CA MET A 15 10.599 -20.055 -9.907 1.00 50.12 C ATOM 225 C MET A 15 9.920 -20.902 -10.979 1.00 33.05 C ATOM 226 O MET A 15 9.071 -21.740 -10.674 1.00 2.51 O ATOM 227 CB MET A 15 9.978 -18.657 -9.876 1.00 60.01 C ATOM 228 CG MET A 15 8.534 -18.644 -9.403 1.00 75.11 C ATOM 229 SD MET A 15 8.391 -18.495 -7.612 1.00 35.22 S ATOM 230 CE MET A 15 9.120 -16.881 -7.347 1.00 53.10 C ATOM 0 H MET A 15 12.366 -19.031 -10.386 1.00 34.13 H new ATOM 0 HA MET A 15 10.447 -20.534 -8.940 1.00 50.12 H new ATOM 0 HB2 MET A 15 10.572 -18.019 -9.221 1.00 60.01 H new ATOM 0 HB3 MET A 15 10.028 -18.224 -10.875 1.00 60.01 H new ATOM 0 HG2 MET A 15 8.008 -17.814 -9.876 1.00 75.11 H new ATOM 0 HG3 MET A 15 8.041 -19.560 -9.728 1.00 75.11 H new ATOM 0 HE1 MET A 15 8.664 -16.415 -6.473 1.00 53.10 H new ATOM 0 HE2 MET A 15 10.192 -16.989 -7.183 1.00 53.10 H new ATOM 0 HE3 MET A 15 8.948 -16.256 -8.223 1.00 53.10 H new ATOM 240 N GLU A 16 10.299 -20.678 -12.233 1.00 14.42 N ATOM 241 CA GLU A 16 9.724 -21.420 -13.348 1.00 60.53 C ATOM 242 C GLU A 16 9.949 -22.920 -13.177 1.00 5.00 C ATOM 243 O GLU A 16 9.211 -23.737 -13.728 1.00 33.43 O ATOM 244 CB GLU A 16 10.333 -20.950 -14.671 1.00 13.11 C ATOM 245 CG GLU A 16 9.613 -19.760 -15.283 1.00 74.32 C ATOM 246 CD GLU A 16 8.358 -20.161 -16.034 1.00 73.31 C ATOM 247 OE1 GLU A 16 8.483 -20.748 -17.129 1.00 51.45 O ATOM 248 OE2 GLU A 16 7.250 -19.889 -15.525 1.00 41.35 O ATOM 0 H GLU A 16 11.001 -19.989 -12.502 1.00 14.42 H new ATOM 0 HA GLU A 16 8.651 -21.230 -13.362 1.00 60.53 H new ATOM 0 HB2 GLU A 16 11.378 -20.687 -14.507 1.00 13.11 H new ATOM 0 HB3 GLU A 16 10.320 -21.777 -15.381 1.00 13.11 H new ATOM 0 HG2 GLU A 16 9.350 -19.054 -14.495 1.00 74.32 H new ATOM 0 HG3 GLU A 16 10.289 -19.242 -15.963 1.00 74.32 H new ATOM 255 N LEU A 17 10.975 -23.274 -12.410 1.00 70.14 N ATOM 256 CA LEU A 17 11.300 -24.675 -12.166 1.00 75.20 C ATOM 257 C LEU A 17 10.430 -25.249 -11.051 1.00 65.05 C ATOM 258 O LEU A 17 9.864 -26.334 -11.187 1.00 43.33 O ATOM 259 CB LEU A 17 12.778 -24.821 -11.802 1.00 0.34 C ATOM 260 CG LEU A 17 13.257 -26.240 -11.492 1.00 53.43 C ATOM 261 CD1 LEU A 17 14.716 -26.408 -11.884 1.00 43.15 C ATOM 262 CD2 LEU A 17 13.058 -26.560 -10.018 1.00 3.10 C ATOM 0 H LEU A 17 11.596 -22.610 -11.947 1.00 70.14 H new ATOM 0 HA LEU A 17 11.102 -25.233 -13.081 1.00 75.20 H new ATOM 0 HB2 LEU A 17 13.375 -24.430 -12.626 1.00 0.34 H new ATOM 0 HB3 LEU A 17 12.982 -24.193 -10.935 1.00 0.34 H new ATOM 0 HG LEU A 17 12.662 -26.940 -12.078 1.00 53.43 H new ATOM 0 HD11 LEU A 17 15.039 -27.424 -11.656 1.00 43.15 H new ATOM 0 HD12 LEU A 17 14.830 -26.222 -12.952 1.00 43.15 H new ATOM 0 HD13 LEU A 17 15.327 -25.699 -11.325 1.00 43.15 H new ATOM 0 HD21 LEU A 17 13.404 -27.574 -9.816 1.00 3.10 H new ATOM 0 HD22 LEU A 17 13.627 -25.855 -9.412 1.00 3.10 H new ATOM 0 HD23 LEU A 17 12.000 -26.482 -9.768 1.00 3.10 H new ATOM 274 N VAL A 18 10.328 -24.513 -9.950 1.00 14.44 N ATOM 275 CA VAL A 18 9.525 -24.946 -8.812 1.00 73.35 C ATOM 276 C VAL A 18 8.066 -25.138 -9.211 1.00 53.20 C ATOM 277 O VAL A 18 7.398 -26.058 -8.738 1.00 0.41 O ATOM 278 CB VAL A 18 9.600 -23.934 -7.654 1.00 23.54 C ATOM 279 CG1 VAL A 18 8.924 -24.494 -6.411 1.00 42.12 C ATOM 280 CG2 VAL A 18 11.047 -23.565 -7.363 1.00 21.32 C ATOM 0 H VAL A 18 10.791 -23.614 -9.821 1.00 14.44 H new ATOM 0 HA VAL A 18 9.936 -25.899 -8.479 1.00 73.35 H new ATOM 0 HB VAL A 18 9.070 -23.029 -7.950 1.00 23.54 H new ATOM 0 HG11 VAL A 18 8.987 -23.765 -5.603 1.00 42.12 H new ATOM 0 HG12 VAL A 18 7.877 -24.704 -6.630 1.00 42.12 H new ATOM 0 HG13 VAL A 18 9.423 -25.415 -6.109 1.00 42.12 H new ATOM 0 HG21 VAL A 18 11.082 -22.849 -6.542 1.00 21.32 H new ATOM 0 HG22 VAL A 18 11.603 -24.461 -7.087 1.00 21.32 H new ATOM 0 HG23 VAL A 18 11.495 -23.120 -8.252 1.00 21.32 H new ATOM 290 N ARG A 19 7.577 -24.263 -10.084 1.00 70.44 N ATOM 291 CA ARG A 19 6.196 -24.336 -10.547 1.00 1.34 C ATOM 292 C ARG A 19 6.014 -25.482 -11.537 1.00 34.21 C ATOM 293 O ARG A 19 4.889 -25.858 -11.866 1.00 30.33 O ATOM 294 CB ARG A 19 5.784 -23.014 -11.198 1.00 62.32 C ATOM 295 CG ARG A 19 5.557 -21.889 -10.202 1.00 43.23 C ATOM 296 CD ARG A 19 4.173 -21.969 -9.577 1.00 44.31 C ATOM 297 NE ARG A 19 3.932 -20.875 -8.640 1.00 51.55 N ATOM 298 CZ ARG A 19 4.372 -20.869 -7.387 1.00 73.41 C ATOM 299 NH1 ARG A 19 5.072 -21.895 -6.923 1.00 4.22 N ATOM 300 NH2 ARG A 19 4.111 -19.837 -6.595 1.00 43.25 N ATOM 0 H ARG A 19 8.116 -23.496 -10.485 1.00 70.44 H new ATOM 0 HA ARG A 19 5.558 -24.522 -9.683 1.00 1.34 H new ATOM 0 HB2 ARG A 19 6.556 -22.711 -11.905 1.00 62.32 H new ATOM 0 HB3 ARG A 19 4.870 -23.170 -11.771 1.00 62.32 H new ATOM 0 HG2 ARG A 19 6.314 -21.936 -9.419 1.00 43.23 H new ATOM 0 HG3 ARG A 19 5.676 -20.928 -10.703 1.00 43.23 H new ATOM 0 HD2 ARG A 19 3.418 -21.946 -10.363 1.00 44.31 H new ATOM 0 HD3 ARG A 19 4.064 -22.921 -9.058 1.00 44.31 H new ATOM 0 HE ARG A 19 3.396 -20.071 -8.966 1.00 51.55 H new ATOM 0 HH11 ARG A 19 5.273 -22.691 -7.529 1.00 4.22 H new ATOM 0 HH12 ARG A 19 5.409 -21.889 -5.960 1.00 4.22 H new ATOM 0 HH21 ARG A 19 3.572 -19.047 -6.948 1.00 43.25 H new ATOM 0 HH22 ARG A 19 4.450 -19.834 -5.633 1.00 43.25 H new ATOM 314 N ALA A 20 7.127 -26.033 -12.009 1.00 4.42 N ATOM 315 CA ALA A 20 7.090 -27.137 -12.960 1.00 4.51 C ATOM 316 C ALA A 20 7.329 -28.471 -12.262 1.00 35.15 C ATOM 317 O ALA A 20 6.839 -29.511 -12.704 1.00 4.32 O ATOM 318 CB ALA A 20 8.121 -26.922 -14.058 1.00 5.10 C ATOM 0 H ALA A 20 8.066 -25.733 -11.748 1.00 4.42 H new ATOM 0 HA ALA A 20 6.097 -27.164 -13.409 1.00 4.51 H new ATOM 0 HB1 ALA A 20 8.082 -27.754 -14.761 1.00 5.10 H new ATOM 0 HB2 ALA A 20 7.904 -25.992 -14.584 1.00 5.10 H new ATOM 0 HB3 ALA A 20 9.116 -26.866 -13.617 1.00 5.10 H new ATOM 324 N VAL A 21 8.084 -28.435 -11.168 1.00 73.21 N ATOM 325 CA VAL A 21 8.386 -29.642 -10.408 1.00 64.12 C ATOM 326 C VAL A 21 7.310 -29.919 -9.365 1.00 31.12 C ATOM 327 O VAL A 21 7.149 -31.052 -8.908 1.00 4.42 O ATOM 328 CB VAL A 21 9.752 -29.534 -9.704 1.00 63.45 C ATOM 329 CG1 VAL A 21 9.697 -28.505 -8.586 1.00 42.11 C ATOM 330 CG2 VAL A 21 10.184 -30.892 -9.170 1.00 44.52 C ATOM 0 H VAL A 21 8.497 -27.583 -10.789 1.00 73.21 H new ATOM 0 HA VAL A 21 8.416 -30.466 -11.121 1.00 64.12 H new ATOM 0 HB VAL A 21 10.492 -29.203 -10.433 1.00 63.45 H new ATOM 0 HG11 VAL A 21 10.671 -28.443 -8.100 1.00 42.11 H new ATOM 0 HG12 VAL A 21 9.435 -27.531 -9.000 1.00 42.11 H new ATOM 0 HG13 VAL A 21 8.945 -28.802 -7.855 1.00 42.11 H new ATOM 0 HG21 VAL A 21 11.151 -30.798 -8.676 1.00 44.52 H new ATOM 0 HG22 VAL A 21 9.445 -31.254 -8.455 1.00 44.52 H new ATOM 0 HG23 VAL A 21 10.266 -31.598 -9.996 1.00 44.52 H new ATOM 340 N LEU A 22 6.574 -28.878 -8.992 1.00 32.12 N ATOM 341 CA LEU A 22 5.510 -29.009 -8.002 1.00 4.53 C ATOM 342 C LEU A 22 4.296 -29.714 -8.597 1.00 12.42 C ATOM 343 O LEU A 22 3.536 -30.368 -7.884 1.00 70.41 O ATOM 344 CB LEU A 22 5.107 -27.631 -7.473 1.00 53.15 C ATOM 345 CG LEU A 22 3.826 -27.581 -6.639 1.00 5.22 C ATOM 346 CD1 LEU A 22 4.018 -28.318 -5.323 1.00 22.33 C ATOM 347 CD2 LEU A 22 3.409 -26.139 -6.388 1.00 61.04 C ATOM 0 H LEU A 22 6.694 -27.934 -9.360 1.00 32.12 H new ATOM 0 HA LEU A 22 5.887 -29.612 -7.176 1.00 4.53 H new ATOM 0 HB2 LEU A 22 5.926 -27.242 -6.868 1.00 53.15 H new ATOM 0 HB3 LEU A 22 4.991 -26.958 -8.322 1.00 53.15 H new ATOM 0 HG LEU A 22 3.032 -28.076 -7.198 1.00 5.22 H new ATOM 0 HD11 LEU A 22 3.097 -28.272 -4.743 1.00 22.33 H new ATOM 0 HD12 LEU A 22 4.270 -29.360 -5.523 1.00 22.33 H new ATOM 0 HD13 LEU A 22 4.826 -27.851 -4.759 1.00 22.33 H new ATOM 0 HD21 LEU A 22 2.496 -26.123 -5.793 1.00 61.04 H new ATOM 0 HD22 LEU A 22 4.202 -25.619 -5.850 1.00 61.04 H new ATOM 0 HD23 LEU A 22 3.230 -25.641 -7.341 1.00 61.04 H new ATOM 359 N GLU A 23 4.121 -29.576 -9.907 1.00 63.15 N ATOM 360 CA GLU A 23 2.999 -30.202 -10.598 1.00 5.52 C ATOM 361 C GLU A 23 3.143 -31.721 -10.603 1.00 55.20 C ATOM 362 O GLU A 23 2.152 -32.449 -10.536 1.00 74.44 O ATOM 363 CB GLU A 23 2.902 -29.683 -12.034 1.00 2.40 C ATOM 364 CG GLU A 23 3.150 -28.189 -12.159 1.00 44.25 C ATOM 365 CD GLU A 23 2.501 -27.394 -11.043 1.00 42.34 C ATOM 366 OE1 GLU A 23 1.271 -27.187 -11.099 1.00 60.41 O ATOM 367 OE2 GLU A 23 3.224 -26.978 -10.114 1.00 23.13 O ATOM 0 H GLU A 23 4.741 -29.037 -10.511 1.00 63.15 H new ATOM 0 HA GLU A 23 2.085 -29.943 -10.063 1.00 5.52 H new ATOM 0 HB2 GLU A 23 3.624 -30.216 -12.653 1.00 2.40 H new ATOM 0 HB3 GLU A 23 1.912 -29.913 -12.428 1.00 2.40 H new ATOM 0 HG2 GLU A 23 4.224 -28.001 -12.157 1.00 44.25 H new ATOM 0 HG3 GLU A 23 2.768 -27.840 -13.118 1.00 44.25 H new ATOM 374 N LEU A 24 4.382 -32.192 -10.683 1.00 50.02 N ATOM 375 CA LEU A 24 4.656 -33.625 -10.698 1.00 4.32 C ATOM 376 C LEU A 24 4.612 -34.202 -9.287 1.00 2.04 C ATOM 377 O LEU A 24 4.586 -35.419 -9.102 1.00 75.03 O ATOM 378 CB LEU A 24 6.023 -33.896 -11.329 1.00 50.23 C ATOM 379 CG LEU A 24 7.216 -33.895 -10.373 1.00 43.33 C ATOM 380 CD1 LEU A 24 7.464 -35.292 -9.827 1.00 61.33 C ATOM 381 CD2 LEU A 24 8.460 -33.365 -11.073 1.00 33.21 C ATOM 0 H LEU A 24 5.213 -31.603 -10.738 1.00 50.02 H new ATOM 0 HA LEU A 24 3.884 -34.111 -11.294 1.00 4.32 H new ATOM 0 HB2 LEU A 24 5.985 -34.864 -11.829 1.00 50.23 H new ATOM 0 HB3 LEU A 24 6.200 -33.146 -12.100 1.00 50.23 H new ATOM 0 HG LEU A 24 6.986 -33.236 -9.536 1.00 43.33 H new ATOM 0 HD11 LEU A 24 8.317 -35.271 -9.149 1.00 61.33 H new ATOM 0 HD12 LEU A 24 6.580 -35.634 -9.289 1.00 61.33 H new ATOM 0 HD13 LEU A 24 7.673 -35.973 -10.652 1.00 61.33 H new ATOM 0 HD21 LEU A 24 9.299 -33.371 -10.378 1.00 33.21 H new ATOM 0 HD22 LEU A 24 8.693 -33.998 -11.929 1.00 33.21 H new ATOM 0 HD23 LEU A 24 8.279 -32.346 -11.414 1.00 33.21 H new ATOM 393 N LYS A 25 4.602 -33.320 -8.292 1.00 64.54 N ATOM 394 CA LYS A 25 4.558 -33.741 -6.897 1.00 14.20 C ATOM 395 C LYS A 25 3.170 -34.256 -6.528 1.00 62.43 C ATOM 396 O LYS A 25 3.007 -35.419 -6.162 1.00 23.35 O ATOM 397 CB LYS A 25 4.941 -32.577 -5.980 1.00 22.31 C ATOM 398 CG LYS A 25 6.345 -32.689 -5.410 1.00 35.32 C ATOM 399 CD LYS A 25 6.594 -31.647 -4.332 1.00 74.14 C ATOM 400 CE LYS A 25 7.894 -30.895 -4.574 1.00 74.31 C ATOM 401 NZ LYS A 25 7.692 -29.704 -5.444 1.00 53.13 N ATOM 0 H LYS A 25 4.624 -32.309 -8.427 1.00 64.54 H new ATOM 0 HA LYS A 25 5.275 -34.552 -6.765 1.00 14.20 H new ATOM 0 HB2 LYS A 25 4.857 -31.644 -6.537 1.00 22.31 H new ATOM 0 HB3 LYS A 25 4.227 -32.523 -5.158 1.00 22.31 H new ATOM 0 HG2 LYS A 25 6.491 -33.686 -4.994 1.00 35.32 H new ATOM 0 HG3 LYS A 25 7.075 -32.567 -6.211 1.00 35.32 H new ATOM 0 HD2 LYS A 25 5.763 -30.942 -4.307 1.00 74.14 H new ATOM 0 HD3 LYS A 25 6.629 -32.132 -3.357 1.00 74.14 H new ATOM 0 HE2 LYS A 25 8.314 -30.580 -3.619 1.00 74.31 H new ATOM 0 HE3 LYS A 25 8.620 -31.564 -5.037 1.00 74.31 H new ATOM 0 HZ1 LYS A 25 8.398 -28.978 -5.208 1.00 53.13 H new ATOM 0 HZ2 LYS A 25 7.799 -29.980 -6.441 1.00 53.13 H new ATOM 0 HZ3 LYS A 25 6.737 -29.321 -5.291 1.00 53.13 H new ATOM 415 N ASN A 26 2.173 -33.383 -6.630 1.00 21.41 N ATOM 416 CA ASN A 26 0.799 -33.752 -6.308 1.00 2.51 C ATOM 417 C ASN A 26 0.293 -34.840 -7.249 1.00 72.31 C ATOM 418 O ASN A 26 -0.617 -35.595 -6.908 1.00 13.22 O ATOM 419 CB ASN A 26 -0.112 -32.525 -6.391 1.00 72.41 C ATOM 420 CG ASN A 26 -0.094 -31.704 -5.117 1.00 11.15 C ATOM 421 OD1 ASN A 26 1.100 -31.449 -4.594 1.00 73.50 O flip ATOM 422 ND2 ASN A 26 -1.141 -31.303 -4.608 1.00 51.33 N flip ATOM 0 H ASN A 26 2.291 -32.416 -6.933 1.00 21.41 H new ATOM 0 HA ASN A 26 0.782 -34.141 -5.290 1.00 2.51 H new ATOM 0 HB2 ASN A 26 0.201 -31.900 -7.227 1.00 72.41 H new ATOM 0 HB3 ASN A 26 -1.133 -32.847 -6.598 1.00 72.41 H new ATOM 0 HD21 ASN A 26 -2.037 -31.522 -5.044 1.00 51.33 H new ATOM 0 HD22 ASN A 26 -1.113 -30.751 -3.750 1.00 51.33 H new ATOM 429 N GLU A 27 0.890 -34.915 -8.435 1.00 11.15 N ATOM 430 CA GLU A 27 0.499 -35.911 -9.425 1.00 32.33 C ATOM 431 C GLU A 27 1.368 -37.161 -9.312 1.00 51.41 C ATOM 432 O GLU A 27 1.415 -37.983 -10.228 1.00 50.31 O ATOM 433 CB GLU A 27 0.604 -35.329 -10.836 1.00 31.12 C ATOM 434 CG GLU A 27 -0.405 -34.228 -11.117 1.00 3.15 C ATOM 435 CD GLU A 27 -1.660 -34.745 -11.792 1.00 12.15 C ATOM 436 OE1 GLU A 27 -1.575 -35.151 -12.970 1.00 14.23 O ATOM 437 OE2 GLU A 27 -2.727 -34.744 -11.143 1.00 0.54 O ATOM 0 H GLU A 27 1.646 -34.298 -8.733 1.00 11.15 H new ATOM 0 HA GLU A 27 -0.537 -36.191 -9.232 1.00 32.33 H new ATOM 0 HB2 GLU A 27 1.610 -34.935 -10.983 1.00 31.12 H new ATOM 0 HB3 GLU A 27 0.466 -36.131 -11.562 1.00 31.12 H new ATOM 0 HG2 GLU A 27 -0.675 -33.740 -10.180 1.00 3.15 H new ATOM 0 HG3 GLU A 27 0.057 -33.470 -11.749 1.00 3.15 H new ATOM 444 N LEU A 28 2.055 -37.296 -8.183 1.00 72.22 N ATOM 445 CA LEU A 28 2.924 -38.445 -7.949 1.00 54.44 C ATOM 446 C LEU A 28 2.175 -39.553 -7.215 1.00 44.25 C ATOM 447 O LEU A 28 2.196 -40.711 -7.633 1.00 14.34 O ATOM 448 CB LEU A 28 4.153 -38.023 -7.143 1.00 62.01 C ATOM 449 CG LEU A 28 5.407 -38.878 -7.334 1.00 55.12 C ATOM 450 CD1 LEU A 28 5.162 -40.299 -6.851 1.00 61.01 C ATOM 451 CD2 LEU A 28 5.836 -38.875 -8.794 1.00 24.30 C ATOM 0 H LEU A 28 2.027 -36.625 -7.415 1.00 72.22 H new ATOM 0 HA LEU A 28 3.247 -38.830 -8.917 1.00 54.44 H new ATOM 0 HB2 LEU A 28 4.397 -36.993 -7.403 1.00 62.01 H new ATOM 0 HB3 LEU A 28 3.890 -38.031 -6.085 1.00 62.01 H new ATOM 0 HG LEU A 28 6.212 -38.448 -6.738 1.00 55.12 H new ATOM 0 HD11 LEU A 28 6.065 -40.893 -6.995 1.00 61.01 H new ATOM 0 HD12 LEU A 28 4.902 -40.284 -5.793 1.00 61.01 H new ATOM 0 HD13 LEU A 28 4.343 -40.740 -7.419 1.00 61.01 H new ATOM 0 HD21 LEU A 28 6.730 -39.488 -8.912 1.00 24.30 H new ATOM 0 HD22 LEU A 28 5.034 -39.281 -9.410 1.00 24.30 H new ATOM 0 HD23 LEU A 28 6.053 -37.854 -9.107 1.00 24.30 H new ATOM 463 N SER A 29 1.514 -39.189 -6.121 1.00 62.22 N ATOM 464 CA SER A 29 0.760 -40.153 -5.328 1.00 4.00 C ATOM 465 C SER A 29 -0.714 -40.145 -5.721 1.00 62.41 C ATOM 466 O SER A 29 -1.586 -40.441 -4.904 1.00 43.34 O ATOM 467 CB SER A 29 0.904 -39.842 -3.837 1.00 11.40 C ATOM 468 OG SER A 29 0.309 -40.855 -3.045 1.00 2.12 O ATOM 0 H SER A 29 1.485 -38.234 -5.764 1.00 62.22 H new ATOM 0 HA SER A 29 1.165 -41.145 -5.526 1.00 4.00 H new ATOM 0 HB2 SER A 29 1.960 -39.750 -3.582 1.00 11.40 H new ATOM 0 HB3 SER A 29 0.437 -38.882 -3.616 1.00 11.40 H new ATOM 0 HG SER A 29 -0.560 -41.101 -3.427 1.00 2.12 H new ATOM 474 N GLN A 30 -0.983 -39.805 -6.977 1.00 61.45 N ATOM 475 CA GLN A 30 -2.351 -39.758 -7.479 1.00 71.43 C ATOM 476 C GLN A 30 -2.498 -40.604 -8.740 1.00 41.00 C ATOM 477 O GLN A 30 -3.527 -41.247 -8.953 1.00 1.31 O ATOM 478 CB GLN A 30 -2.761 -38.314 -7.769 1.00 40.54 C ATOM 479 CG GLN A 30 -4.018 -37.878 -7.034 1.00 20.34 C ATOM 480 CD GLN A 30 -3.869 -36.520 -6.376 1.00 62.42 C ATOM 481 OE1 GLN A 30 -4.606 -35.584 -6.685 1.00 52.13 O ATOM 482 NE2 GLN A 30 -2.911 -36.406 -5.463 1.00 74.32 N ATOM 0 H GLN A 30 -0.272 -39.558 -7.666 1.00 61.45 H new ATOM 0 HA GLN A 30 -3.007 -40.167 -6.711 1.00 71.43 H new ATOM 0 HB2 GLN A 30 -1.941 -37.650 -7.494 1.00 40.54 H new ATOM 0 HB3 GLN A 30 -2.919 -38.199 -8.841 1.00 40.54 H new ATOM 0 HG2 GLN A 30 -4.852 -37.848 -7.735 1.00 20.34 H new ATOM 0 HG3 GLN A 30 -4.266 -38.620 -6.275 1.00 20.34 H new ATOM 0 HE21 GLN A 30 -2.323 -37.208 -5.238 1.00 74.32 H new ATOM 0 HE22 GLN A 30 -2.763 -35.516 -4.987 1.00 74.32 H new ATOM 491 N LEU A 31 -1.463 -40.599 -9.573 1.00 54.14 N ATOM 492 CA LEU A 31 -1.477 -41.366 -10.814 1.00 41.44 C ATOM 493 C LEU A 31 -0.181 -42.152 -10.983 1.00 3.21 C ATOM 494 O LEU A 31 0.868 -41.790 -10.448 1.00 54.14 O ATOM 495 CB LEU A 31 -1.681 -40.434 -12.010 1.00 42.13 C ATOM 496 CG LEU A 31 -2.684 -39.297 -11.812 1.00 72.22 C ATOM 497 CD1 LEU A 31 -1.991 -38.065 -11.252 1.00 41.12 C ATOM 498 CD2 LEU A 31 -3.383 -38.968 -13.123 1.00 75.51 C ATOM 0 H LEU A 31 -0.604 -40.073 -9.412 1.00 54.14 H new ATOM 0 HA LEU A 31 -2.305 -42.073 -10.766 1.00 41.44 H new ATOM 0 HB2 LEU A 31 -0.717 -39.999 -12.275 1.00 42.13 H new ATOM 0 HB3 LEU A 31 -2.005 -41.033 -12.861 1.00 42.13 H new ATOM 0 HG LEU A 31 -3.436 -39.623 -11.094 1.00 72.22 H new ATOM 0 HD11 LEU A 31 -2.721 -37.266 -11.118 1.00 41.12 H new ATOM 0 HD12 LEU A 31 -1.538 -38.308 -10.291 1.00 41.12 H new ATOM 0 HD13 LEU A 31 -1.217 -37.736 -11.945 1.00 41.12 H new ATOM 0 HD21 LEU A 31 -4.093 -38.157 -12.963 1.00 75.51 H new ATOM 0 HD22 LEU A 31 -2.643 -38.662 -13.863 1.00 75.51 H new ATOM 0 HD23 LEU A 31 -3.914 -39.849 -13.483 1.00 75.51 H new ATOM 510 N PRO A 32 -0.251 -43.253 -11.746 1.00 11.04 N ATOM 511 CA PRO A 32 0.908 -44.112 -12.005 1.00 2.22 C ATOM 512 C PRO A 32 1.940 -43.437 -12.902 1.00 62.32 C ATOM 513 O PRO A 32 1.689 -42.391 -13.500 1.00 1.42 O ATOM 514 CB PRO A 32 0.299 -45.327 -12.709 1.00 43.44 C ATOM 515 CG PRO A 32 -0.951 -44.814 -13.336 1.00 51.30 C ATOM 516 CD PRO A 32 -1.468 -43.744 -12.414 1.00 22.10 C ATOM 0 HA PRO A 32 1.446 -44.359 -11.090 1.00 2.22 H new ATOM 0 HB2 PRO A 32 0.979 -45.733 -13.457 1.00 43.44 H new ATOM 0 HB3 PRO A 32 0.087 -46.129 -12.002 1.00 43.44 H new ATOM 0 HG2 PRO A 32 -0.752 -44.411 -14.329 1.00 51.30 H new ATOM 0 HG3 PRO A 32 -1.683 -45.612 -13.457 1.00 51.30 H new ATOM 0 HD2 PRO A 32 -1.973 -42.950 -12.963 1.00 22.10 H new ATOM 0 HD3 PRO A 32 -2.186 -44.143 -11.698 1.00 22.10 H new ATOM 524 N PRO A 33 3.130 -44.049 -13.001 1.00 73.22 N ATOM 525 CA PRO A 33 4.223 -43.525 -13.825 1.00 22.40 C ATOM 526 C PRO A 33 3.931 -43.639 -15.317 1.00 74.02 C ATOM 527 O PRO A 33 2.775 -43.751 -15.725 1.00 21.20 O ATOM 528 CB PRO A 33 5.411 -44.413 -13.444 1.00 11.31 C ATOM 529 CG PRO A 33 4.797 -45.685 -12.971 1.00 12.24 C ATOM 530 CD PRO A 33 3.498 -45.300 -12.317 1.00 5.22 C ATOM 0 HA PRO A 33 4.392 -42.463 -13.649 1.00 22.40 H new ATOM 0 HB2 PRO A 33 6.067 -44.584 -14.297 1.00 11.31 H new ATOM 0 HB3 PRO A 33 6.016 -43.951 -12.664 1.00 11.31 H new ATOM 0 HG2 PRO A 33 4.628 -46.369 -13.802 1.00 12.24 H new ATOM 0 HG3 PRO A 33 5.452 -46.196 -12.266 1.00 12.24 H new ATOM 0 HD2 PRO A 33 2.738 -46.069 -12.450 1.00 5.22 H new ATOM 0 HD3 PRO A 33 3.617 -45.151 -11.244 1.00 5.22 H new ATOM 538 N GLU A 34 4.985 -43.610 -16.126 1.00 51.44 N ATOM 539 CA GLU A 34 4.839 -43.709 -17.574 1.00 21.22 C ATOM 540 C GLU A 34 4.184 -42.454 -18.142 1.00 41.43 C ATOM 541 O GLU A 34 3.227 -42.533 -18.911 1.00 61.42 O ATOM 542 CB GLU A 34 4.010 -44.941 -17.942 1.00 20.44 C ATOM 543 CG GLU A 34 4.333 -45.504 -19.316 1.00 31.45 C ATOM 544 CD GLU A 34 3.117 -46.090 -20.007 1.00 12.24 C ATOM 545 OE1 GLU A 34 2.458 -46.965 -19.408 1.00 73.52 O ATOM 546 OE2 GLU A 34 2.824 -45.672 -21.147 1.00 2.55 O ATOM 0 H GLU A 34 5.949 -43.519 -15.804 1.00 51.44 H new ATOM 0 HA GLU A 34 5.834 -43.806 -18.008 1.00 21.22 H new ATOM 0 HB2 GLU A 34 4.174 -45.716 -17.193 1.00 20.44 H new ATOM 0 HB3 GLU A 34 2.952 -44.681 -17.905 1.00 20.44 H new ATOM 0 HG2 GLU A 34 4.754 -44.714 -19.938 1.00 31.45 H new ATOM 0 HG3 GLU A 34 5.097 -46.275 -19.218 1.00 31.45 H new ATOM 553 N GLY A 35 4.707 -41.294 -17.757 1.00 5.42 N ATOM 554 CA GLY A 35 4.161 -40.038 -18.236 1.00 43.53 C ATOM 555 C GLY A 35 4.967 -38.840 -17.773 1.00 65.41 C ATOM 556 O GLY A 35 5.274 -37.947 -18.562 1.00 50.55 O ATOM 0 H GLY A 35 5.500 -41.202 -17.122 1.00 5.42 H new ATOM 0 HA2 GLY A 35 4.129 -40.051 -19.325 1.00 43.53 H new ATOM 0 HA3 GLY A 35 3.133 -39.936 -17.888 1.00 43.53 H new ATOM 560 N TYR A 36 5.311 -38.821 -16.490 1.00 55.00 N ATOM 561 CA TYR A 36 6.082 -37.722 -15.922 1.00 24.22 C ATOM 562 C TYR A 36 7.559 -37.848 -16.285 1.00 73.43 C ATOM 563 O TYR A 36 8.366 -36.976 -15.965 1.00 20.14 O ATOM 564 CB TYR A 36 5.921 -37.691 -14.401 1.00 40.20 C ATOM 565 CG TYR A 36 4.485 -37.806 -13.942 1.00 20.20 C ATOM 566 CD1 TYR A 36 3.540 -36.855 -14.307 1.00 2.34 C ATOM 567 CD2 TYR A 36 4.073 -38.866 -13.143 1.00 41.41 C ATOM 568 CE1 TYR A 36 2.227 -36.955 -13.889 1.00 61.51 C ATOM 569 CE2 TYR A 36 2.762 -38.975 -12.722 1.00 60.22 C ATOM 570 CZ TYR A 36 1.843 -38.018 -13.098 1.00 11.35 C ATOM 571 OH TYR A 36 0.536 -38.123 -12.679 1.00 42.51 O ATOM 0 H TYR A 36 5.068 -39.554 -15.824 1.00 55.00 H new ATOM 0 HA TYR A 36 5.701 -36.790 -16.341 1.00 24.22 H new ATOM 0 HB2 TYR A 36 6.499 -38.506 -13.966 1.00 40.20 H new ATOM 0 HB3 TYR A 36 6.343 -36.762 -14.018 1.00 40.20 H new ATOM 0 HD1 TYR A 36 3.837 -36.023 -14.928 1.00 2.34 H new ATOM 0 HD2 TYR A 36 4.790 -39.617 -12.846 1.00 41.41 H new ATOM 0 HE1 TYR A 36 1.506 -36.206 -14.180 1.00 61.51 H new ATOM 0 HE2 TYR A 36 2.458 -39.805 -12.102 1.00 60.22 H new ATOM 0 HH TYR A 36 0.515 -38.372 -11.732 1.00 42.51 H new ATOM 581 N VAL A 37 7.904 -38.942 -16.958 1.00 4.40 N ATOM 582 CA VAL A 37 9.283 -39.183 -17.368 1.00 33.22 C ATOM 583 C VAL A 37 9.735 -38.161 -18.404 1.00 50.24 C ATOM 584 O VAL A 37 10.929 -38.005 -18.659 1.00 24.23 O ATOM 585 CB VAL A 37 9.455 -40.599 -17.950 1.00 2.23 C ATOM 586 CG1 VAL A 37 8.744 -40.716 -19.289 1.00 73.10 C ATOM 587 CG2 VAL A 37 10.931 -40.941 -18.089 1.00 11.11 C ATOM 0 H VAL A 37 7.248 -39.674 -17.230 1.00 4.40 H new ATOM 0 HA VAL A 37 9.901 -39.087 -16.475 1.00 33.22 H new ATOM 0 HB VAL A 37 9.003 -41.314 -17.262 1.00 2.23 H new ATOM 0 HG11 VAL A 37 8.877 -41.723 -19.685 1.00 73.10 H new ATOM 0 HG12 VAL A 37 7.681 -40.516 -19.155 1.00 73.10 H new ATOM 0 HG13 VAL A 37 9.164 -39.993 -19.988 1.00 73.10 H new ATOM 0 HG21 VAL A 37 11.035 -41.945 -18.501 1.00 11.11 H new ATOM 0 HG22 VAL A 37 11.410 -40.223 -18.756 1.00 11.11 H new ATOM 0 HG23 VAL A 37 11.408 -40.900 -17.110 1.00 11.11 H new ATOM 597 N VAL A 38 8.772 -37.465 -19.000 1.00 41.34 N ATOM 598 CA VAL A 38 9.071 -36.455 -20.009 1.00 32.10 C ATOM 599 C VAL A 38 9.172 -35.068 -19.385 1.00 3.13 C ATOM 600 O VAL A 38 10.066 -34.289 -19.718 1.00 33.22 O ATOM 601 CB VAL A 38 7.998 -36.431 -21.114 1.00 64.43 C ATOM 602 CG1 VAL A 38 8.294 -35.331 -22.122 1.00 62.10 C ATOM 603 CG2 VAL A 38 7.912 -37.786 -21.801 1.00 41.24 C ATOM 0 H VAL A 38 7.778 -37.582 -18.802 1.00 41.34 H new ATOM 0 HA VAL A 38 10.031 -36.723 -20.450 1.00 32.10 H new ATOM 0 HB VAL A 38 7.032 -36.219 -20.655 1.00 64.43 H new ATOM 0 HG11 VAL A 38 7.525 -35.329 -22.895 1.00 62.10 H new ATOM 0 HG12 VAL A 38 8.301 -34.366 -21.616 1.00 62.10 H new ATOM 0 HG13 VAL A 38 9.268 -35.508 -22.579 1.00 62.10 H new ATOM 0 HG21 VAL A 38 7.149 -37.752 -22.579 1.00 41.24 H new ATOM 0 HG22 VAL A 38 8.876 -38.029 -22.248 1.00 41.24 H new ATOM 0 HG23 VAL A 38 7.649 -38.549 -21.069 1.00 41.24 H new ATOM 613 N VAL A 39 8.250 -34.765 -18.476 1.00 45.01 N ATOM 614 CA VAL A 39 8.237 -33.472 -17.803 1.00 14.30 C ATOM 615 C VAL A 39 9.503 -33.268 -16.979 1.00 13.43 C ATOM 616 O VAL A 39 9.852 -32.141 -16.626 1.00 43.05 O ATOM 617 CB VAL A 39 7.010 -33.331 -16.882 1.00 73.35 C ATOM 618 CG1 VAL A 39 7.244 -34.055 -15.566 1.00 23.35 C ATOM 619 CG2 VAL A 39 6.689 -31.864 -16.644 1.00 15.34 C ATOM 0 H VAL A 39 7.503 -35.397 -18.189 1.00 45.01 H new ATOM 0 HA VAL A 39 8.187 -32.711 -18.582 1.00 14.30 H new ATOM 0 HB VAL A 39 6.153 -33.791 -17.374 1.00 73.35 H new ATOM 0 HG11 VAL A 39 6.367 -33.944 -14.929 1.00 23.35 H new ATOM 0 HG12 VAL A 39 7.421 -35.113 -15.759 1.00 23.35 H new ATOM 0 HG13 VAL A 39 8.113 -33.628 -15.065 1.00 23.35 H new ATOM 0 HG21 VAL A 39 5.820 -31.783 -15.991 1.00 15.34 H new ATOM 0 HG22 VAL A 39 7.543 -31.376 -16.173 1.00 15.34 H new ATOM 0 HG23 VAL A 39 6.474 -31.379 -17.596 1.00 15.34 H new ATOM 629 N VAL A 40 10.188 -34.365 -16.674 1.00 75.52 N ATOM 630 CA VAL A 40 11.417 -34.308 -15.892 1.00 52.53 C ATOM 631 C VAL A 40 12.474 -33.460 -16.592 1.00 35.12 C ATOM 632 O VAL A 40 13.113 -32.610 -15.973 1.00 3.42 O ATOM 633 CB VAL A 40 11.988 -35.715 -15.640 1.00 21.43 C ATOM 634 CG1 VAL A 40 13.315 -35.629 -14.901 1.00 42.44 C ATOM 635 CG2 VAL A 40 10.991 -36.563 -14.864 1.00 24.03 C ATOM 0 H VAL A 40 9.912 -35.305 -16.957 1.00 75.52 H new ATOM 0 HA VAL A 40 11.163 -33.851 -14.936 1.00 52.53 H new ATOM 0 HB VAL A 40 12.166 -36.193 -16.603 1.00 21.43 H new ATOM 0 HG11 VAL A 40 13.703 -36.633 -14.732 1.00 42.44 H new ATOM 0 HG12 VAL A 40 14.028 -35.060 -15.498 1.00 42.44 H new ATOM 0 HG13 VAL A 40 13.166 -35.131 -13.943 1.00 42.44 H new ATOM 0 HG21 VAL A 40 11.411 -37.555 -14.695 1.00 24.03 H new ATOM 0 HG22 VAL A 40 10.780 -36.090 -13.905 1.00 24.03 H new ATOM 0 HG23 VAL A 40 10.067 -36.653 -15.436 1.00 24.03 H new ATOM 645 N LYS A 41 12.652 -33.697 -17.887 1.00 30.20 N ATOM 646 CA LYS A 41 13.630 -32.955 -18.674 1.00 30.24 C ATOM 647 C LYS A 41 13.436 -31.452 -18.505 1.00 51.41 C ATOM 648 O LYS A 41 14.400 -30.707 -18.336 1.00 64.11 O ATOM 649 CB LYS A 41 13.517 -33.332 -20.152 1.00 64.15 C ATOM 650 CG LYS A 41 14.812 -33.860 -20.746 1.00 21.01 C ATOM 651 CD LYS A 41 14.846 -35.379 -20.748 1.00 20.12 C ATOM 652 CE LYS A 41 14.807 -35.939 -19.334 1.00 74.32 C ATOM 653 NZ LYS A 41 15.781 -37.050 -19.150 1.00 71.45 N ATOM 0 H LYS A 41 12.131 -34.398 -18.414 1.00 30.20 H new ATOM 0 HA LYS A 41 14.625 -33.218 -18.314 1.00 30.24 H new ATOM 0 HB2 LYS A 41 12.740 -34.087 -20.267 1.00 64.15 H new ATOM 0 HB3 LYS A 41 13.198 -32.457 -20.718 1.00 64.15 H new ATOM 0 HG2 LYS A 41 14.922 -33.491 -21.766 1.00 21.01 H new ATOM 0 HG3 LYS A 41 15.658 -33.477 -20.175 1.00 21.01 H new ATOM 0 HD2 LYS A 41 13.998 -35.762 -21.316 1.00 20.12 H new ATOM 0 HD3 LYS A 41 15.749 -35.723 -21.252 1.00 20.12 H new ATOM 0 HE2 LYS A 41 15.025 -35.143 -18.622 1.00 74.32 H new ATOM 0 HE3 LYS A 41 13.802 -36.297 -19.113 1.00 74.32 H new ATOM 0 HZ1 LYS A 41 15.723 -37.404 -18.174 1.00 71.45 H new ATOM 0 HZ2 LYS A 41 15.558 -37.821 -19.812 1.00 71.45 H new ATOM 0 HZ3 LYS A 41 16.743 -36.702 -19.336 1.00 71.45 H new ATOM 667 N ASN A 42 12.182 -31.013 -18.551 1.00 42.40 N ATOM 668 CA ASN A 42 11.862 -29.598 -18.402 1.00 41.54 C ATOM 669 C ASN A 42 12.073 -29.140 -16.962 1.00 61.42 C ATOM 670 O ASN A 42 12.299 -27.959 -16.701 1.00 41.33 O ATOM 671 CB ASN A 42 10.416 -29.333 -18.826 1.00 70.24 C ATOM 672 CG ASN A 42 10.034 -30.092 -20.083 1.00 10.23 C ATOM 673 OD1 ASN A 42 10.777 -30.103 -21.065 1.00 15.24 O ATOM 674 ND2 ASN A 42 8.870 -30.731 -20.057 1.00 2.11 N ATOM 0 H ASN A 42 11.372 -31.616 -18.690 1.00 42.40 H new ATOM 0 HA ASN A 42 12.533 -29.030 -19.047 1.00 41.54 H new ATOM 0 HB2 ASN A 42 9.745 -29.617 -18.015 1.00 70.24 H new ATOM 0 HB3 ASN A 42 10.279 -28.265 -18.994 1.00 70.24 H new ATOM 0 HD21 ASN A 42 8.559 -31.259 -20.873 1.00 2.11 H new ATOM 0 HD22 ASN A 42 8.287 -30.694 -19.221 1.00 2.11 H new ATOM 681 N VAL A 43 11.998 -30.085 -16.030 1.00 64.21 N ATOM 682 CA VAL A 43 12.183 -29.781 -14.616 1.00 51.33 C ATOM 683 C VAL A 43 13.663 -29.700 -14.260 1.00 41.52 C ATOM 684 O VAL A 43 14.043 -29.058 -13.281 1.00 74.33 O ATOM 685 CB VAL A 43 11.508 -30.838 -13.722 1.00 2.42 C ATOM 686 CG1 VAL A 43 11.755 -30.530 -12.253 1.00 20.33 C ATOM 687 CG2 VAL A 43 10.018 -30.911 -14.016 1.00 74.25 C ATOM 0 H VAL A 43 11.810 -31.068 -16.229 1.00 64.21 H new ATOM 0 HA VAL A 43 11.716 -28.813 -14.437 1.00 51.33 H new ATOM 0 HB VAL A 43 11.947 -31.811 -13.944 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.271 -31.287 -11.636 1.00 20.33 H new ATOM 0 HG12 VAL A 43 12.827 -30.533 -12.056 1.00 20.33 H new ATOM 0 HG13 VAL A 43 11.344 -29.549 -12.013 1.00 20.33 H new ATOM 0 HG21 VAL A 43 9.557 -31.663 -13.375 1.00 74.25 H new ATOM 0 HG22 VAL A 43 9.561 -29.940 -13.823 1.00 74.25 H new ATOM 0 HG23 VAL A 43 9.866 -31.182 -15.061 1.00 74.25 H new ATOM 697 N GLY A 44 14.496 -30.355 -15.063 1.00 43.42 N ATOM 698 CA GLY A 44 15.926 -30.344 -14.817 1.00 4.35 C ATOM 699 C GLY A 44 16.678 -29.467 -15.799 1.00 75.31 C ATOM 700 O GLY A 44 17.859 -29.178 -15.607 1.00 2.21 O ATOM 0 H GLY A 44 14.206 -30.893 -15.880 1.00 43.42 H new ATOM 0 HA2 GLY A 44 16.114 -29.992 -13.803 1.00 4.35 H new ATOM 0 HA3 GLY A 44 16.309 -31.363 -14.877 1.00 4.35 H new ATOM 704 N LEU A 45 15.993 -29.045 -16.856 1.00 15.20 N ATOM 705 CA LEU A 45 16.603 -28.197 -17.874 1.00 71.24 C ATOM 706 C LEU A 45 16.537 -26.728 -17.471 1.00 11.32 C ATOM 707 O LEU A 45 17.199 -25.878 -18.068 1.00 15.31 O ATOM 708 CB LEU A 45 15.905 -28.400 -19.220 1.00 72.13 C ATOM 709 CG LEU A 45 16.414 -29.564 -20.071 1.00 75.05 C ATOM 710 CD1 LEU A 45 15.388 -29.939 -21.131 1.00 5.34 C ATOM 711 CD2 LEU A 45 17.745 -29.210 -20.717 1.00 64.41 C ATOM 0 H LEU A 45 15.015 -29.276 -17.030 1.00 15.20 H new ATOM 0 HA LEU A 45 17.651 -28.482 -17.968 1.00 71.24 H new ATOM 0 HB2 LEU A 45 14.841 -28.549 -19.036 1.00 72.13 H new ATOM 0 HB3 LEU A 45 16.003 -27.482 -19.800 1.00 72.13 H new ATOM 0 HG LEU A 45 16.566 -30.425 -19.421 1.00 75.05 H new ATOM 0 HD11 LEU A 45 15.767 -30.769 -21.727 1.00 5.34 H new ATOM 0 HD12 LEU A 45 14.457 -30.235 -20.648 1.00 5.34 H new ATOM 0 HD13 LEU A 45 15.204 -29.082 -21.779 1.00 5.34 H new ATOM 0 HD21 LEU A 45 18.092 -30.050 -21.319 1.00 64.41 H new ATOM 0 HD22 LEU A 45 17.619 -28.335 -21.354 1.00 64.41 H new ATOM 0 HD23 LEU A 45 18.479 -28.991 -19.941 1.00 64.41 H new ATOM 723 N THR A 46 15.735 -26.435 -16.451 1.00 43.54 N ATOM 724 CA THR A 46 15.583 -25.068 -15.967 1.00 25.51 C ATOM 725 C THR A 46 16.756 -24.666 -15.079 1.00 72.43 C ATOM 726 O THR A 46 17.328 -23.587 -15.239 1.00 75.24 O ATOM 727 CB THR A 46 14.273 -24.895 -15.176 1.00 72.24 C ATOM 728 OG1 THR A 46 13.263 -25.760 -15.707 1.00 75.04 O ATOM 729 CG2 THR A 46 13.793 -23.453 -15.233 1.00 5.41 C ATOM 0 H THR A 46 15.181 -27.126 -15.945 1.00 43.54 H new ATOM 0 HA THR A 46 15.557 -24.423 -16.845 1.00 25.51 H new ATOM 0 HB THR A 46 14.465 -25.157 -14.135 1.00 72.24 H new ATOM 0 HG1 THR A 46 12.434 -25.646 -15.198 1.00 75.04 H new ATOM 0 HG21 THR A 46 12.866 -23.355 -14.667 1.00 5.41 H new ATOM 0 HG22 THR A 46 14.552 -22.800 -14.802 1.00 5.41 H new ATOM 0 HG23 THR A 46 13.616 -23.169 -16.270 1.00 5.41 H new ATOM 737 N LEU A 47 17.110 -25.540 -14.144 1.00 22.33 N ATOM 738 CA LEU A 47 18.216 -25.277 -13.230 1.00 45.50 C ATOM 739 C LEU A 47 19.528 -25.124 -13.993 1.00 44.11 C ATOM 740 O LEU A 47 20.284 -24.179 -13.766 1.00 11.14 O ATOM 741 CB LEU A 47 18.338 -26.406 -12.205 1.00 53.42 C ATOM 742 CG LEU A 47 18.337 -27.827 -12.769 1.00 54.11 C ATOM 743 CD1 LEU A 47 19.758 -28.352 -12.897 1.00 3.31 C ATOM 744 CD2 LEU A 47 17.503 -28.749 -11.891 1.00 11.51 C ATOM 0 H LEU A 47 16.647 -26.437 -13.999 1.00 22.33 H new ATOM 0 HA LEU A 47 18.009 -24.343 -12.708 1.00 45.50 H new ATOM 0 HB2 LEU A 47 19.260 -26.261 -11.642 1.00 53.42 H new ATOM 0 HB3 LEU A 47 17.514 -26.317 -11.496 1.00 53.42 H new ATOM 0 HG LEU A 47 17.890 -27.802 -13.763 1.00 54.11 H new ATOM 0 HD11 LEU A 47 19.737 -29.365 -13.300 1.00 3.31 H new ATOM 0 HD12 LEU A 47 20.325 -27.706 -13.567 1.00 3.31 H new ATOM 0 HD13 LEU A 47 20.232 -28.362 -11.916 1.00 3.31 H new ATOM 0 HD21 LEU A 47 17.514 -29.756 -12.308 1.00 11.51 H new ATOM 0 HD22 LEU A 47 17.920 -28.768 -10.884 1.00 11.51 H new ATOM 0 HD23 LEU A 47 16.477 -28.384 -11.851 1.00 11.51 H new ATOM 756 N ARG A 48 19.791 -26.059 -14.900 1.00 44.23 N ATOM 757 CA ARG A 48 21.011 -26.028 -15.698 1.00 4.41 C ATOM 758 C ARG A 48 20.995 -24.853 -16.671 1.00 54.34 C ATOM 759 O ARG A 48 22.013 -24.520 -17.278 1.00 60.33 O ATOM 760 CB ARG A 48 21.177 -27.339 -16.468 1.00 35.23 C ATOM 761 CG ARG A 48 20.041 -27.624 -17.437 1.00 51.41 C ATOM 762 CD ARG A 48 20.286 -28.902 -18.223 1.00 21.43 C ATOM 763 NE ARG A 48 20.785 -28.631 -19.568 1.00 55.04 N ATOM 764 CZ ARG A 48 21.301 -29.562 -20.362 1.00 63.23 C ATOM 765 NH1 ARG A 48 21.387 -30.819 -19.948 1.00 13.43 N ATOM 766 NH2 ARG A 48 21.734 -29.237 -21.574 1.00 74.30 N ATOM 0 H ARG A 48 19.176 -26.847 -15.101 1.00 44.23 H new ATOM 0 HA ARG A 48 21.855 -25.904 -15.019 1.00 4.41 H new ATOM 0 HB2 ARG A 48 22.116 -27.310 -17.021 1.00 35.23 H new ATOM 0 HB3 ARG A 48 21.252 -28.161 -15.757 1.00 35.23 H new ATOM 0 HG2 ARG A 48 19.104 -27.708 -16.886 1.00 51.41 H new ATOM 0 HG3 ARG A 48 19.931 -26.787 -18.127 1.00 51.41 H new ATOM 0 HD2 ARG A 48 21.004 -29.524 -17.689 1.00 21.43 H new ATOM 0 HD3 ARG A 48 19.358 -29.471 -18.288 1.00 21.43 H new ATOM 0 HE ARG A 48 20.735 -27.674 -19.917 1.00 55.04 H new ATOM 0 HH11 ARG A 48 21.056 -31.073 -19.017 1.00 13.43 H new ATOM 0 HH12 ARG A 48 21.784 -31.532 -20.560 1.00 13.43 H new ATOM 0 HH21 ARG A 48 21.671 -28.271 -21.896 1.00 74.30 H new ATOM 0 HH22 ARG A 48 22.130 -29.953 -22.183 1.00 74.30 H new ATOM 780 N LYS A 49 19.831 -24.228 -16.816 1.00 41.42 N ATOM 781 CA LYS A 49 19.680 -23.089 -17.715 1.00 21.42 C ATOM 782 C LYS A 49 19.790 -21.774 -16.950 1.00 72.11 C ATOM 783 O LYS A 49 20.160 -20.744 -17.516 1.00 32.33 O ATOM 784 CB LYS A 49 18.334 -23.160 -18.439 1.00 14.13 C ATOM 785 CG LYS A 49 18.098 -22.006 -19.398 1.00 34.11 C ATOM 786 CD LYS A 49 17.320 -20.881 -18.736 1.00 51.11 C ATOM 787 CE LYS A 49 15.819 -21.071 -18.896 1.00 64.03 C ATOM 788 NZ LYS A 49 15.406 -21.043 -20.327 1.00 3.42 N ATOM 0 H LYS A 49 18.978 -24.491 -16.322 1.00 41.42 H new ATOM 0 HA LYS A 49 20.483 -23.129 -18.451 1.00 21.42 H new ATOM 0 HB2 LYS A 49 18.277 -24.098 -18.991 1.00 14.13 H new ATOM 0 HB3 LYS A 49 17.533 -23.176 -17.699 1.00 14.13 H new ATOM 0 HG2 LYS A 49 19.056 -21.627 -19.755 1.00 34.11 H new ATOM 0 HG3 LYS A 49 17.551 -22.363 -20.271 1.00 34.11 H new ATOM 0 HD2 LYS A 49 17.571 -20.838 -17.676 1.00 51.11 H new ATOM 0 HD3 LYS A 49 17.616 -19.927 -19.173 1.00 51.11 H new ATOM 0 HE2 LYS A 49 15.524 -22.021 -18.451 1.00 64.03 H new ATOM 0 HE3 LYS A 49 15.293 -20.287 -18.351 1.00 64.03 H new ATOM 0 HZ1 LYS A 49 14.425 -20.704 -20.399 1.00 3.42 H new ATOM 0 HZ2 LYS A 49 16.033 -20.404 -20.857 1.00 3.42 H new ATOM 0 HZ3 LYS A 49 15.471 -22.001 -20.726 1.00 3.42 H new ATOM 802 N LEU A 50 19.468 -21.815 -15.662 1.00 73.50 N ATOM 803 CA LEU A 50 19.532 -20.627 -14.819 1.00 13.22 C ATOM 804 C LEU A 50 20.841 -20.583 -14.038 1.00 43.20 C ATOM 805 O LEU A 50 21.240 -19.532 -13.535 1.00 21.23 O ATOM 806 CB LEU A 50 18.347 -20.599 -13.852 1.00 31.14 C ATOM 807 CG LEU A 50 18.340 -21.677 -12.767 1.00 62.23 C ATOM 808 CD1 LEU A 50 19.140 -21.222 -11.557 1.00 2.32 C ATOM 809 CD2 LEU A 50 16.913 -22.022 -12.367 1.00 22.11 C ATOM 0 H LEU A 50 19.160 -22.659 -15.179 1.00 73.50 H new ATOM 0 HA LEU A 50 19.486 -19.751 -15.465 1.00 13.22 H new ATOM 0 HB2 LEU A 50 18.323 -19.623 -13.367 1.00 31.14 H new ATOM 0 HB3 LEU A 50 17.428 -20.689 -14.432 1.00 31.14 H new ATOM 0 HG LEU A 50 18.810 -22.574 -13.170 1.00 62.23 H new ATOM 0 HD11 LEU A 50 19.124 -22.002 -10.796 1.00 2.32 H new ATOM 0 HD12 LEU A 50 20.170 -21.027 -11.854 1.00 2.32 H new ATOM 0 HD13 LEU A 50 18.700 -20.310 -11.152 1.00 2.32 H new ATOM 0 HD21 LEU A 50 16.927 -22.791 -11.594 1.00 22.11 H new ATOM 0 HD22 LEU A 50 16.417 -21.131 -11.983 1.00 22.11 H new ATOM 0 HD23 LEU A 50 16.371 -22.392 -13.237 1.00 22.11 H new ATOM 821 N ILE A 51 21.506 -21.729 -13.943 1.00 63.22 N ATOM 822 CA ILE A 51 22.772 -21.820 -13.227 1.00 24.31 C ATOM 823 C ILE A 51 23.804 -20.860 -13.809 1.00 13.41 C ATOM 824 O ILE A 51 24.656 -20.338 -13.092 1.00 25.45 O ATOM 825 CB ILE A 51 23.340 -23.251 -13.267 1.00 63.41 C ATOM 826 CG1 ILE A 51 22.683 -24.115 -12.188 1.00 43.32 C ATOM 827 CG2 ILE A 51 24.851 -23.227 -13.087 1.00 32.02 C ATOM 828 CD1 ILE A 51 22.587 -25.578 -12.561 1.00 0.45 C ATOM 0 H ILE A 51 21.189 -22.608 -14.353 1.00 63.22 H new ATOM 0 HA ILE A 51 22.568 -21.547 -12.192 1.00 24.31 H new ATOM 0 HB ILE A 51 23.117 -23.687 -14.241 1.00 63.41 H new ATOM 0 HG12 ILE A 51 23.251 -24.021 -11.263 1.00 43.32 H new ATOM 0 HG13 ILE A 51 21.682 -23.733 -11.988 1.00 43.32 H new ATOM 0 HG21 ILE A 51 25.237 -24.246 -13.118 1.00 32.02 H new ATOM 0 HG22 ILE A 51 25.304 -22.643 -13.888 1.00 32.02 H new ATOM 0 HG23 ILE A 51 25.096 -22.775 -12.126 1.00 32.02 H new ATOM 0 HD11 ILE A 51 22.111 -26.130 -11.750 1.00 0.45 H new ATOM 0 HD12 ILE A 51 21.993 -25.684 -13.469 1.00 0.45 H new ATOM 0 HD13 ILE A 51 23.587 -25.976 -12.733 1.00 0.45 H new ATOM 840 N GLY A 52 23.718 -20.628 -15.116 1.00 20.35 N ATOM 841 CA GLY A 52 24.649 -19.729 -15.772 1.00 54.12 C ATOM 842 C GLY A 52 24.500 -18.296 -15.301 1.00 41.21 C ATOM 843 O GLY A 52 25.482 -17.559 -15.213 1.00 25.31 O ATOM 0 H GLY A 52 23.020 -21.047 -15.731 1.00 20.35 H new ATOM 0 HA2 GLY A 52 25.668 -20.066 -15.584 1.00 54.12 H new ATOM 0 HA3 GLY A 52 24.493 -19.772 -16.850 1.00 54.12 H new ATOM 847 N SER A 53 23.268 -17.898 -14.999 1.00 62.41 N ATOM 848 CA SER A 53 22.994 -16.542 -14.540 1.00 13.12 C ATOM 849 C SER A 53 23.773 -16.232 -13.266 1.00 3.54 C ATOM 850 O SER A 53 24.074 -15.074 -12.974 1.00 41.25 O ATOM 851 CB SER A 53 21.495 -16.358 -14.292 1.00 22.21 C ATOM 852 OG SER A 53 21.262 -15.516 -13.176 1.00 23.40 O ATOM 0 H SER A 53 22.444 -18.496 -15.064 1.00 62.41 H new ATOM 0 HA SER A 53 23.314 -15.850 -15.319 1.00 13.12 H new ATOM 0 HB2 SER A 53 21.026 -15.930 -15.178 1.00 22.21 H new ATOM 0 HB3 SER A 53 21.029 -17.329 -14.122 1.00 22.21 H new ATOM 0 HG SER A 53 21.691 -14.648 -13.326 1.00 23.40 H new ATOM 858 N VAL A 54 24.098 -17.275 -12.509 1.00 34.12 N ATOM 859 CA VAL A 54 24.843 -17.116 -11.266 1.00 1.11 C ATOM 860 C VAL A 54 26.327 -17.394 -11.476 1.00 3.51 C ATOM 861 O VAL A 54 27.158 -17.054 -10.633 1.00 42.34 O ATOM 862 CB VAL A 54 24.307 -18.052 -10.166 1.00 65.03 C ATOM 863 CG1 VAL A 54 24.588 -17.473 -8.788 1.00 42.32 C ATOM 864 CG2 VAL A 54 22.819 -18.299 -10.356 1.00 74.45 C ATOM 0 H VAL A 54 23.857 -18.240 -12.735 1.00 34.12 H new ATOM 0 HA VAL A 54 24.711 -16.082 -10.948 1.00 1.11 H new ATOM 0 HB VAL A 54 24.824 -19.009 -10.244 1.00 65.03 H new ATOM 0 HG11 VAL A 54 24.202 -18.148 -8.024 1.00 42.32 H new ATOM 0 HG12 VAL A 54 25.663 -17.353 -8.656 1.00 42.32 H new ATOM 0 HG13 VAL A 54 24.100 -16.503 -8.695 1.00 42.32 H new ATOM 0 HG21 VAL A 54 22.457 -18.962 -9.570 1.00 74.45 H new ATOM 0 HG22 VAL A 54 22.283 -17.351 -10.306 1.00 74.45 H new ATOM 0 HG23 VAL A 54 22.648 -18.761 -11.328 1.00 74.45 H new ATOM 874 N ASP A 55 26.654 -18.013 -12.605 1.00 54.30 N ATOM 875 CA ASP A 55 28.039 -18.335 -12.927 1.00 72.15 C ATOM 876 C ASP A 55 28.785 -17.098 -13.416 1.00 42.32 C ATOM 877 O ASP A 55 30.010 -17.020 -13.317 1.00 12.32 O ATOM 878 CB ASP A 55 28.095 -19.433 -13.991 1.00 10.11 C ATOM 879 CG ASP A 55 27.601 -20.768 -13.471 1.00 75.40 C ATOM 880 OD1 ASP A 55 27.141 -20.821 -12.311 1.00 11.42 O ATOM 881 OD2 ASP A 55 27.672 -21.761 -14.225 1.00 22.43 O ATOM 0 H ASP A 55 25.979 -18.302 -13.313 1.00 54.30 H new ATOM 0 HA ASP A 55 28.523 -18.694 -12.019 1.00 72.15 H new ATOM 0 HB2 ASP A 55 27.492 -19.135 -14.849 1.00 10.11 H new ATOM 0 HB3 ASP A 55 29.121 -19.541 -14.344 1.00 10.11 H new ATOM 886 N ASP A 56 28.039 -16.134 -13.945 1.00 5.33 N ATOM 887 CA ASP A 56 28.630 -14.900 -14.449 1.00 43.42 C ATOM 888 C ASP A 56 29.141 -14.033 -13.302 1.00 60.12 C ATOM 889 O ASP A 56 30.284 -13.575 -13.318 1.00 2.52 O ATOM 890 CB ASP A 56 27.607 -14.120 -15.277 1.00 21.40 C ATOM 891 CG ASP A 56 28.223 -12.931 -15.988 1.00 35.20 C ATOM 892 OD1 ASP A 56 28.836 -13.131 -17.057 1.00 65.32 O ATOM 893 OD2 ASP A 56 28.090 -11.800 -15.476 1.00 34.33 O ATOM 0 H ASP A 56 27.024 -16.184 -14.036 1.00 5.33 H new ATOM 0 HA ASP A 56 29.475 -15.165 -15.085 1.00 43.42 H new ATOM 0 HB2 ASP A 56 27.156 -14.786 -16.013 1.00 21.40 H new ATOM 0 HB3 ASP A 56 26.804 -13.774 -14.626 1.00 21.40 H new ATOM 898 N LEU A 57 28.287 -13.812 -12.309 1.00 51.22 N ATOM 899 CA LEU A 57 28.651 -12.999 -11.154 1.00 30.03 C ATOM 900 C LEU A 57 29.332 -13.847 -10.084 1.00 71.13 C ATOM 901 O LEU A 57 29.752 -13.336 -9.045 1.00 55.22 O ATOM 902 CB LEU A 57 27.410 -12.322 -10.570 1.00 74.01 C ATOM 903 CG LEU A 57 26.768 -13.018 -9.369 1.00 51.50 C ATOM 904 CD1 LEU A 57 25.604 -12.197 -8.836 1.00 53.22 C ATOM 905 CD2 LEU A 57 26.307 -14.418 -9.747 1.00 51.41 C ATOM 0 H LEU A 57 27.338 -14.184 -12.280 1.00 51.22 H new ATOM 0 HA LEU A 57 29.352 -12.234 -11.486 1.00 30.03 H new ATOM 0 HB2 LEU A 57 27.679 -11.307 -10.276 1.00 74.01 H new ATOM 0 HB3 LEU A 57 26.662 -12.238 -11.358 1.00 74.01 H new ATOM 0 HG LEU A 57 27.516 -13.104 -8.581 1.00 51.50 H new ATOM 0 HD11 LEU A 57 25.160 -12.708 -7.982 1.00 53.22 H new ATOM 0 HD12 LEU A 57 25.963 -11.216 -8.526 1.00 53.22 H new ATOM 0 HD13 LEU A 57 24.854 -12.078 -9.618 1.00 53.22 H new ATOM 0 HD21 LEU A 57 25.853 -14.898 -8.880 1.00 51.41 H new ATOM 0 HD22 LEU A 57 25.575 -14.355 -10.552 1.00 51.41 H new ATOM 0 HD23 LEU A 57 27.163 -15.005 -10.080 1.00 51.41 H new ATOM 917 N LEU A 58 29.440 -15.145 -10.346 1.00 43.12 N ATOM 918 CA LEU A 58 30.073 -16.065 -9.407 1.00 51.31 C ATOM 919 C LEU A 58 31.427 -15.531 -8.950 1.00 53.13 C ATOM 920 O LEU A 58 31.667 -15.314 -7.763 1.00 4.25 O ATOM 921 CB LEU A 58 30.245 -17.442 -10.050 1.00 25.13 C ATOM 922 CG LEU A 58 29.550 -18.605 -9.341 1.00 73.15 C ATOM 923 CD1 LEU A 58 29.867 -19.920 -10.036 1.00 65.13 C ATOM 924 CD2 LEU A 58 29.961 -18.660 -7.877 1.00 74.53 C ATOM 0 H LEU A 58 29.098 -15.584 -11.201 1.00 43.12 H new ATOM 0 HA LEU A 58 29.427 -16.157 -8.534 1.00 51.31 H new ATOM 0 HB2 LEU A 58 29.873 -17.392 -11.073 1.00 25.13 H new ATOM 0 HB3 LEU A 58 31.311 -17.663 -10.109 1.00 25.13 H new ATOM 0 HG LEU A 58 28.473 -18.443 -9.389 1.00 73.15 H new ATOM 0 HD11 LEU A 58 29.364 -20.736 -9.517 1.00 65.13 H new ATOM 0 HD12 LEU A 58 29.521 -19.878 -11.069 1.00 65.13 H new ATOM 0 HD13 LEU A 58 30.944 -20.089 -10.021 1.00 65.13 H new ATOM 0 HD21 LEU A 58 29.457 -19.494 -7.389 1.00 74.53 H new ATOM 0 HD22 LEU A 58 31.040 -18.797 -7.807 1.00 74.53 H new ATOM 0 HD23 LEU A 58 29.681 -17.728 -7.385 1.00 74.53 H new ATOM 936 N PRO A 59 32.333 -15.312 -9.915 1.00 13.42 N ATOM 937 CA PRO A 59 33.677 -14.798 -9.636 1.00 51.41 C ATOM 938 C PRO A 59 33.659 -13.341 -9.186 1.00 53.33 C ATOM 939 O PRO A 59 34.681 -12.797 -8.770 1.00 4.04 O ATOM 940 CB PRO A 59 34.394 -14.933 -10.982 1.00 4.15 C ATOM 941 CG PRO A 59 33.305 -14.895 -11.997 1.00 61.12 C ATOM 942 CD PRO A 59 32.114 -15.548 -11.352 1.00 23.23 C ATOM 0 HA PRO A 59 34.160 -15.340 -8.823 1.00 51.41 H new ATOM 0 HB2 PRO A 59 35.106 -14.122 -11.134 1.00 4.15 H new ATOM 0 HB3 PRO A 59 34.956 -15.865 -11.039 1.00 4.15 H new ATOM 0 HG2 PRO A 59 33.078 -13.869 -12.287 1.00 61.12 H new ATOM 0 HG3 PRO A 59 33.598 -15.425 -12.903 1.00 61.12 H new ATOM 0 HD2 PRO A 59 31.179 -15.105 -11.694 1.00 23.23 H new ATOM 0 HD3 PRO A 59 32.066 -16.612 -11.582 1.00 23.23 H new ATOM 950 N SER A 60 32.490 -12.714 -9.273 1.00 52.11 N ATOM 951 CA SER A 60 32.340 -11.318 -8.878 1.00 34.31 C ATOM 952 C SER A 60 31.838 -11.212 -7.441 1.00 53.41 C ATOM 953 O SER A 60 31.342 -10.165 -7.020 1.00 71.52 O ATOM 954 CB SER A 60 31.374 -10.600 -9.822 1.00 53.02 C ATOM 955 OG SER A 60 31.542 -9.195 -9.751 1.00 53.33 O ATOM 0 H SER A 60 31.633 -13.150 -9.613 1.00 52.11 H new ATOM 0 HA SER A 60 33.318 -10.841 -8.939 1.00 34.31 H new ATOM 0 HB2 SER A 60 31.541 -10.938 -10.845 1.00 53.02 H new ATOM 0 HB3 SER A 60 30.347 -10.860 -9.564 1.00 53.02 H new ATOM 0 HG SER A 60 31.546 -8.913 -8.812 1.00 53.33 H new ATOM 961 N LEU A 61 31.970 -12.301 -6.693 1.00 32.13 N ATOM 962 CA LEU A 61 31.530 -12.332 -5.302 1.00 63.00 C ATOM 963 C LEU A 61 32.725 -12.333 -4.353 1.00 73.53 C ATOM 964 O LEU A 61 33.850 -12.659 -4.733 1.00 33.12 O ATOM 965 CB LEU A 61 30.662 -13.565 -5.048 1.00 75.34 C ATOM 966 CG LEU A 61 29.160 -13.312 -4.911 1.00 51.21 C ATOM 967 CD1 LEU A 61 28.568 -12.875 -6.242 1.00 44.42 C ATOM 968 CD2 LEU A 61 28.454 -14.557 -4.395 1.00 32.10 C ATOM 0 H LEU A 61 32.378 -13.175 -7.026 1.00 32.13 H new ATOM 0 HA LEU A 61 30.940 -11.435 -5.113 1.00 63.00 H new ATOM 0 HB2 LEU A 61 30.818 -14.269 -5.865 1.00 75.34 H new ATOM 0 HB3 LEU A 61 31.013 -14.050 -4.137 1.00 75.34 H new ATOM 0 HG LEU A 61 29.011 -12.509 -4.189 1.00 51.21 H new ATOM 0 HD11 LEU A 61 27.499 -12.700 -6.125 1.00 44.42 H new ATOM 0 HD12 LEU A 61 29.052 -11.956 -6.571 1.00 44.42 H new ATOM 0 HD13 LEU A 61 28.728 -13.656 -6.985 1.00 44.42 H new ATOM 0 HD21 LEU A 61 27.386 -14.358 -4.304 1.00 32.10 H new ATOM 0 HD22 LEU A 61 28.612 -15.380 -5.092 1.00 32.10 H new ATOM 0 HD23 LEU A 61 28.858 -14.826 -3.419 1.00 32.10 H new ATOM 980 N PRO A 62 32.476 -11.963 -3.088 1.00 64.13 N ATOM 981 CA PRO A 62 33.518 -11.916 -2.058 1.00 63.02 C ATOM 982 C PRO A 62 34.003 -13.306 -1.660 1.00 14.13 C ATOM 983 O PRO A 62 33.504 -14.314 -2.159 1.00 34.31 O ATOM 984 CB PRO A 62 32.820 -11.234 -0.879 1.00 24.33 C ATOM 985 CG PRO A 62 31.372 -11.521 -1.078 1.00 62.31 C ATOM 986 CD PRO A 62 31.159 -11.562 -2.566 1.00 62.21 C ATOM 0 HA PRO A 62 34.410 -11.393 -2.403 1.00 63.02 H new ATOM 0 HB2 PRO A 62 33.175 -11.629 0.073 1.00 24.33 H new ATOM 0 HB3 PRO A 62 33.013 -10.161 -0.871 1.00 24.33 H new ATOM 0 HG2 PRO A 62 31.095 -12.470 -0.618 1.00 62.31 H new ATOM 0 HG3 PRO A 62 30.754 -10.751 -0.616 1.00 62.31 H new ATOM 0 HD2 PRO A 62 30.383 -12.276 -2.841 1.00 62.21 H new ATOM 0 HD3 PRO A 62 30.851 -10.591 -2.955 1.00 62.21 H new ATOM 994 N SER A 63 34.977 -13.352 -0.757 1.00 43.31 N ATOM 995 CA SER A 63 35.531 -14.619 -0.294 1.00 3.41 C ATOM 996 C SER A 63 34.715 -15.176 0.868 1.00 1.14 C ATOM 997 O SER A 63 35.168 -15.182 2.013 1.00 62.12 O ATOM 998 CB SER A 63 36.989 -14.436 0.133 1.00 61.31 C ATOM 999 OG SER A 63 37.097 -13.505 1.196 1.00 73.13 O ATOM 0 H SER A 63 35.399 -12.527 -0.331 1.00 43.31 H new ATOM 0 HA SER A 63 35.488 -15.330 -1.119 1.00 3.41 H new ATOM 0 HB2 SER A 63 37.404 -15.395 0.442 1.00 61.31 H new ATOM 0 HB3 SER A 63 37.579 -14.093 -0.716 1.00 61.31 H new ATOM 0 HG SER A 63 36.524 -13.789 1.939 1.00 73.13 H new ATOM 1005 N SER A 64 33.508 -15.643 0.565 1.00 22.33 N ATOM 1006 CA SER A 64 32.626 -16.200 1.584 1.00 11.53 C ATOM 1007 C SER A 64 31.359 -16.770 0.953 1.00 0.55 C ATOM 1008 O SER A 64 31.003 -17.925 1.185 1.00 15.32 O ATOM 1009 CB SER A 64 32.259 -15.127 2.612 1.00 24.42 C ATOM 1010 OG SER A 64 31.543 -15.687 3.700 1.00 43.15 O ATOM 0 H SER A 64 33.119 -15.647 -0.378 1.00 22.33 H new ATOM 0 HA SER A 64 33.156 -17.009 2.086 1.00 11.53 H new ATOM 0 HB2 SER A 64 33.165 -14.645 2.979 1.00 24.42 H new ATOM 0 HB3 SER A 64 31.657 -14.353 2.136 1.00 24.42 H new ATOM 0 HG SER A 64 31.322 -14.982 4.344 1.00 43.15 H new ATOM 1016 N SER A 65 30.683 -15.950 0.155 1.00 71.03 N ATOM 1017 CA SER A 65 29.453 -16.370 -0.507 1.00 43.23 C ATOM 1018 C SER A 65 29.759 -17.062 -1.832 1.00 32.40 C ATOM 1019 O SER A 65 28.976 -17.884 -2.310 1.00 45.24 O ATOM 1020 CB SER A 65 28.541 -15.165 -0.747 1.00 63.21 C ATOM 1021 OG SER A 65 27.927 -14.743 0.458 1.00 33.00 O ATOM 0 H SER A 65 30.966 -14.991 -0.049 1.00 71.03 H new ATOM 0 HA SER A 65 28.942 -17.079 0.145 1.00 43.23 H new ATOM 0 HB2 SER A 65 29.121 -14.345 -1.170 1.00 63.21 H new ATOM 0 HB3 SER A 65 27.775 -15.424 -1.478 1.00 63.21 H new ATOM 0 HG SER A 65 27.351 -13.971 0.279 1.00 33.00 H new ATOM 1027 N ARG A 66 30.902 -16.724 -2.419 1.00 60.33 N ATOM 1028 CA ARG A 66 31.311 -17.312 -3.689 1.00 45.23 C ATOM 1029 C ARG A 66 31.241 -18.835 -3.632 1.00 13.04 C ATOM 1030 O ARG A 66 30.765 -19.482 -4.565 1.00 52.44 O ATOM 1031 CB ARG A 66 32.732 -16.870 -4.046 1.00 11.33 C ATOM 1032 CG ARG A 66 33.269 -17.511 -5.315 1.00 52.51 C ATOM 1033 CD ARG A 66 34.756 -17.244 -5.487 1.00 61.44 C ATOM 1034 NE ARG A 66 35.546 -17.835 -4.411 1.00 23.42 N ATOM 1035 CZ ARG A 66 36.864 -17.705 -4.310 1.00 3.03 C ATOM 1036 NH1 ARG A 66 37.536 -17.007 -5.215 1.00 62.53 N ATOM 1037 NH2 ARG A 66 37.513 -18.273 -3.301 1.00 10.51 N ATOM 0 H ARG A 66 31.561 -16.046 -2.036 1.00 60.33 H new ATOM 0 HA ARG A 66 30.624 -16.963 -4.460 1.00 45.23 H new ATOM 0 HB2 ARG A 66 32.748 -15.786 -4.162 1.00 11.33 H new ATOM 0 HB3 ARG A 66 33.398 -17.112 -3.217 1.00 11.33 H new ATOM 0 HG2 ARG A 66 33.092 -18.586 -5.284 1.00 52.51 H new ATOM 0 HG3 ARG A 66 32.726 -17.124 -6.177 1.00 52.51 H new ATOM 0 HD2 ARG A 66 35.088 -17.647 -6.444 1.00 61.44 H new ATOM 0 HD3 ARG A 66 34.930 -16.168 -5.516 1.00 61.44 H new ATOM 0 HE ARG A 66 35.059 -18.378 -3.698 1.00 23.42 H new ATOM 0 HH11 ARG A 66 37.041 -16.568 -5.991 1.00 62.53 H new ATOM 0 HH12 ARG A 66 38.548 -16.909 -5.135 1.00 62.53 H new ATOM 0 HH21 ARG A 66 37.000 -18.810 -2.602 1.00 10.51 H new ATOM 0 HH22 ARG A 66 38.525 -18.172 -3.225 1.00 10.51 H new ATOM 1051 N THR A 67 31.718 -19.403 -2.529 1.00 21.25 N ATOM 1052 CA THR A 67 31.711 -20.850 -2.349 1.00 51.52 C ATOM 1053 C THR A 67 30.287 -21.394 -2.328 1.00 42.21 C ATOM 1054 O THR A 67 30.020 -22.477 -2.848 1.00 12.34 O ATOM 1055 CB THR A 67 32.424 -21.258 -1.046 1.00 52.32 C ATOM 1056 OG1 THR A 67 33.612 -20.478 -0.873 1.00 0.52 O ATOM 1057 CG2 THR A 67 32.780 -22.736 -1.065 1.00 22.43 C ATOM 0 H THR A 67 32.114 -18.883 -1.746 1.00 21.25 H new ATOM 0 HA THR A 67 32.248 -21.277 -3.196 1.00 51.52 H new ATOM 0 HB THR A 67 31.745 -21.075 -0.213 1.00 52.32 H new ATOM 0 HG1 THR A 67 34.059 -20.742 -0.042 1.00 0.52 H new ATOM 0 HG21 THR A 67 33.283 -23.001 -0.135 1.00 22.43 H new ATOM 0 HG22 THR A 67 31.871 -23.328 -1.168 1.00 22.43 H new ATOM 0 HG23 THR A 67 33.442 -22.940 -1.906 1.00 22.43 H new ATOM 1065 N GLU A 68 29.377 -20.635 -1.725 1.00 23.22 N ATOM 1066 CA GLU A 68 27.980 -21.043 -1.637 1.00 22.42 C ATOM 1067 C GLU A 68 27.433 -21.409 -3.013 1.00 74.33 C ATOM 1068 O GLU A 68 27.002 -22.540 -3.241 1.00 32.22 O ATOM 1069 CB GLU A 68 27.137 -19.925 -1.021 1.00 52.11 C ATOM 1070 CG GLU A 68 26.355 -20.358 0.208 1.00 63.11 C ATOM 1071 CD GLU A 68 27.229 -21.036 1.246 1.00 73.14 C ATOM 1072 OE1 GLU A 68 28.096 -20.354 1.829 1.00 44.30 O ATOM 1073 OE2 GLU A 68 27.044 -22.250 1.474 1.00 13.01 O ATOM 0 H GLU A 68 29.582 -19.735 -1.291 1.00 23.22 H new ATOM 0 HA GLU A 68 27.925 -21.924 -0.997 1.00 22.42 H new ATOM 0 HB2 GLU A 68 27.790 -19.095 -0.752 1.00 52.11 H new ATOM 0 HB3 GLU A 68 26.440 -19.551 -1.771 1.00 52.11 H new ATOM 0 HG2 GLU A 68 25.876 -19.487 0.655 1.00 63.11 H new ATOM 0 HG3 GLU A 68 25.560 -21.040 -0.093 1.00 63.11 H new ATOM 1080 N ILE A 69 27.452 -20.445 -3.927 1.00 3.31 N ATOM 1081 CA ILE A 69 26.959 -20.665 -5.281 1.00 34.05 C ATOM 1082 C ILE A 69 27.724 -21.791 -5.968 1.00 53.43 C ATOM 1083 O ILE A 69 27.126 -22.692 -6.554 1.00 72.43 O ATOM 1084 CB ILE A 69 27.068 -19.388 -6.135 1.00 24.24 C ATOM 1085 CG1 ILE A 69 26.185 -18.282 -5.553 1.00 62.14 C ATOM 1086 CG2 ILE A 69 26.681 -19.680 -7.576 1.00 74.44 C ATOM 1087 CD1 ILE A 69 26.737 -16.891 -5.771 1.00 44.24 C ATOM 0 H ILE A 69 27.804 -19.503 -3.754 1.00 3.31 H new ATOM 0 HA ILE A 69 25.909 -20.944 -5.193 1.00 34.05 H new ATOM 0 HB ILE A 69 28.103 -19.046 -6.120 1.00 24.24 H new ATOM 0 HG12 ILE A 69 25.194 -18.345 -6.002 1.00 62.14 H new ATOM 0 HG13 ILE A 69 26.062 -18.452 -4.483 1.00 62.14 H new ATOM 0 HG21 ILE A 69 26.763 -18.768 -8.167 1.00 74.44 H new ATOM 0 HG22 ILE A 69 27.348 -20.439 -7.985 1.00 74.44 H new ATOM 0 HG23 ILE A 69 25.654 -20.043 -7.610 1.00 74.44 H new ATOM 0 HD11 ILE A 69 26.060 -16.158 -5.333 1.00 44.24 H new ATOM 0 HD12 ILE A 69 27.715 -16.810 -5.298 1.00 44.24 H new ATOM 0 HD13 ILE A 69 26.834 -16.702 -6.840 1.00 44.24 H new ATOM 1099 N GLU A 70 29.050 -21.731 -5.891 1.00 35.34 N ATOM 1100 CA GLU A 70 29.896 -22.747 -6.505 1.00 42.03 C ATOM 1101 C GLU A 70 29.560 -24.134 -5.966 1.00 24.40 C ATOM 1102 O GLU A 70 29.864 -25.147 -6.595 1.00 24.12 O ATOM 1103 CB GLU A 70 31.372 -22.433 -6.253 1.00 24.22 C ATOM 1104 CG GLU A 70 32.284 -22.827 -7.403 1.00 53.21 C ATOM 1105 CD GLU A 70 33.653 -23.278 -6.934 1.00 63.02 C ATOM 1106 OE1 GLU A 70 33.717 -24.169 -6.061 1.00 50.11 O ATOM 1107 OE2 GLU A 70 34.661 -22.741 -7.439 1.00 51.24 O ATOM 0 H GLU A 70 29.561 -20.990 -5.410 1.00 35.34 H new ATOM 0 HA GLU A 70 29.708 -22.739 -7.579 1.00 42.03 H new ATOM 0 HB2 GLU A 70 31.480 -21.365 -6.064 1.00 24.22 H new ATOM 0 HB3 GLU A 70 31.696 -22.951 -5.350 1.00 24.22 H new ATOM 0 HG2 GLU A 70 31.817 -23.630 -7.973 1.00 53.21 H new ATOM 0 HG3 GLU A 70 32.397 -21.979 -8.079 1.00 53.21 H new ATOM 1114 N GLY A 71 28.931 -24.172 -4.795 1.00 40.32 N ATOM 1115 CA GLY A 71 28.565 -25.439 -4.190 1.00 13.31 C ATOM 1116 C GLY A 71 27.093 -25.758 -4.359 1.00 15.12 C ATOM 1117 O GLY A 71 26.671 -26.900 -4.173 1.00 21.01 O ATOM 0 H GLY A 71 28.668 -23.348 -4.255 1.00 40.32 H new ATOM 0 HA2 GLY A 71 29.160 -26.236 -4.636 1.00 13.31 H new ATOM 0 HA3 GLY A 71 28.809 -25.415 -3.128 1.00 13.31 H new ATOM 1121 N THR A 72 26.306 -24.746 -4.711 1.00 53.21 N ATOM 1122 CA THR A 72 24.872 -24.923 -4.902 1.00 72.01 C ATOM 1123 C THR A 72 24.537 -25.148 -6.372 1.00 55.41 C ATOM 1124 O THR A 72 23.488 -25.702 -6.701 1.00 10.43 O ATOM 1125 CB THR A 72 24.082 -23.705 -4.387 1.00 74.13 C ATOM 1126 OG1 THR A 72 24.512 -23.366 -3.064 1.00 54.23 O ATOM 1127 CG2 THR A 72 22.588 -23.992 -4.383 1.00 13.14 C ATOM 0 H THR A 72 26.638 -23.795 -4.870 1.00 53.21 H new ATOM 0 HA THR A 72 24.583 -25.803 -4.328 1.00 72.01 H new ATOM 0 HB THR A 72 24.273 -22.866 -5.056 1.00 74.13 H new ATOM 0 HG1 THR A 72 25.353 -22.865 -3.112 1.00 54.23 H new ATOM 0 HG21 THR A 72 22.051 -23.118 -4.016 1.00 13.14 H new ATOM 0 HG22 THR A 72 22.259 -24.221 -5.397 1.00 13.14 H new ATOM 0 HG23 THR A 72 22.383 -24.843 -3.734 1.00 13.14 H new ATOM 1135 N GLN A 73 25.434 -24.715 -7.252 1.00 11.52 N ATOM 1136 CA GLN A 73 25.232 -24.869 -8.688 1.00 32.15 C ATOM 1137 C GLN A 73 25.740 -26.225 -9.166 1.00 30.11 C ATOM 1138 O GLN A 73 25.482 -26.632 -10.299 1.00 23.52 O ATOM 1139 CB GLN A 73 25.942 -23.748 -9.448 1.00 4.25 C ATOM 1140 CG GLN A 73 25.505 -22.354 -9.025 1.00 70.53 C ATOM 1141 CD GLN A 73 24.217 -21.919 -9.695 1.00 73.15 C ATOM 1142 OE1 GLN A 73 24.234 -21.167 -10.670 1.00 51.22 O ATOM 1143 NE2 GLN A 73 23.090 -22.391 -9.175 1.00 73.04 N ATOM 0 H GLN A 73 26.308 -24.255 -6.996 1.00 11.52 H new ATOM 0 HA GLN A 73 24.162 -24.811 -8.887 1.00 32.15 H new ATOM 0 HB2 GLN A 73 27.017 -23.844 -9.299 1.00 4.25 H new ATOM 0 HB3 GLN A 73 25.756 -23.870 -10.515 1.00 4.25 H new ATOM 0 HG2 GLN A 73 25.373 -22.331 -7.943 1.00 70.53 H new ATOM 0 HG3 GLN A 73 26.294 -21.641 -9.265 1.00 70.53 H new ATOM 0 HE21 GLN A 73 23.122 -23.012 -8.366 1.00 73.04 H new ATOM 0 HE22 GLN A 73 22.192 -22.133 -9.584 1.00 73.04 H new ATOM 1152 N LYS A 74 26.464 -26.921 -8.296 1.00 10.34 N ATOM 1153 CA LYS A 74 27.008 -28.232 -8.628 1.00 5.14 C ATOM 1154 C LYS A 74 26.072 -29.343 -8.164 1.00 22.13 C ATOM 1155 O LYS A 74 25.936 -30.372 -8.828 1.00 3.25 O ATOM 1156 CB LYS A 74 28.387 -28.411 -7.987 1.00 71.54 C ATOM 1157 CG LYS A 74 28.358 -28.405 -6.469 1.00 33.32 C ATOM 1158 CD LYS A 74 28.407 -29.815 -5.904 1.00 60.24 C ATOM 1159 CE LYS A 74 28.863 -29.819 -4.453 1.00 52.03 C ATOM 1160 NZ LYS A 74 28.418 -31.045 -3.735 1.00 72.54 N ATOM 0 H LYS A 74 26.688 -26.598 -7.355 1.00 10.34 H new ATOM 0 HA LYS A 74 27.106 -28.294 -9.712 1.00 5.14 H new ATOM 0 HB2 LYS A 74 28.818 -29.351 -8.330 1.00 71.54 H new ATOM 0 HB3 LYS A 74 29.045 -27.614 -8.332 1.00 71.54 H new ATOM 0 HG2 LYS A 74 29.204 -27.831 -6.090 1.00 33.32 H new ATOM 0 HG3 LYS A 74 27.453 -27.905 -6.124 1.00 33.32 H new ATOM 0 HD2 LYS A 74 27.420 -30.272 -5.978 1.00 60.24 H new ATOM 0 HD3 LYS A 74 29.086 -30.424 -6.501 1.00 60.24 H new ATOM 0 HE2 LYS A 74 29.950 -29.750 -4.414 1.00 52.03 H new ATOM 0 HE3 LYS A 74 28.469 -28.938 -3.946 1.00 52.03 H new ATOM 0 HZ1 LYS A 74 28.749 -31.009 -2.750 1.00 72.54 H new ATOM 0 HZ2 LYS A 74 27.379 -31.098 -3.750 1.00 72.54 H new ATOM 0 HZ3 LYS A 74 28.815 -31.885 -4.203 1.00 72.54 H new ATOM 1174 N LEU A 75 25.428 -29.129 -7.022 1.00 74.21 N ATOM 1175 CA LEU A 75 24.502 -30.113 -6.470 1.00 41.51 C ATOM 1176 C LEU A 75 23.151 -30.044 -7.175 1.00 61.50 C ATOM 1177 O LEU A 75 22.347 -30.974 -7.090 1.00 41.24 O ATOM 1178 CB LEU A 75 24.319 -29.883 -4.969 1.00 30.21 C ATOM 1179 CG LEU A 75 23.261 -28.853 -4.571 1.00 61.23 C ATOM 1180 CD1 LEU A 75 21.905 -29.520 -4.397 1.00 65.14 C ATOM 1181 CD2 LEU A 75 23.671 -28.133 -3.295 1.00 20.21 C ATOM 0 H LEU A 75 25.530 -28.284 -6.460 1.00 74.21 H new ATOM 0 HA LEU A 75 24.925 -31.105 -6.631 1.00 41.51 H new ATOM 0 HB2 LEU A 75 24.063 -30.835 -4.505 1.00 30.21 H new ATOM 0 HB3 LEU A 75 25.276 -29.571 -4.550 1.00 30.21 H new ATOM 0 HG LEU A 75 23.180 -28.116 -5.370 1.00 61.23 H new ATOM 0 HD11 LEU A 75 21.165 -28.771 -4.114 1.00 65.14 H new ATOM 0 HD12 LEU A 75 21.607 -29.988 -5.335 1.00 65.14 H new ATOM 0 HD13 LEU A 75 21.970 -30.279 -3.617 1.00 65.14 H new ATOM 0 HD21 LEU A 75 22.906 -27.404 -3.027 1.00 20.21 H new ATOM 0 HD22 LEU A 75 23.781 -28.857 -2.488 1.00 20.21 H new ATOM 0 HD23 LEU A 75 24.620 -27.621 -3.455 1.00 20.21 H new ATOM 1193 N LEU A 76 22.908 -28.940 -7.872 1.00 4.00 N ATOM 1194 CA LEU A 76 21.655 -28.751 -8.594 1.00 62.15 C ATOM 1195 C LEU A 76 21.452 -29.853 -9.629 1.00 73.12 C ATOM 1196 O LEU A 76 20.321 -30.184 -9.984 1.00 2.21 O ATOM 1197 CB LEU A 76 21.640 -27.383 -9.279 1.00 72.45 C ATOM 1198 CG LEU A 76 20.431 -26.496 -8.979 1.00 43.11 C ATOM 1199 CD1 LEU A 76 20.276 -26.296 -7.480 1.00 14.43 C ATOM 1200 CD2 LEU A 76 20.565 -25.156 -9.687 1.00 51.51 C ATOM 0 H LEU A 76 23.562 -28.162 -7.953 1.00 4.00 H new ATOM 0 HA LEU A 76 20.838 -28.799 -7.874 1.00 62.15 H new ATOM 0 HB2 LEU A 76 22.542 -26.844 -8.989 1.00 72.45 H new ATOM 0 HB3 LEU A 76 21.694 -27.538 -10.357 1.00 72.45 H new ATOM 0 HG LEU A 76 19.536 -26.994 -9.353 1.00 43.11 H new ATOM 0 HD11 LEU A 76 19.411 -25.662 -7.285 1.00 14.43 H new ATOM 0 HD12 LEU A 76 20.134 -27.263 -6.997 1.00 14.43 H new ATOM 0 HD13 LEU A 76 21.172 -25.819 -7.082 1.00 14.43 H new ATOM 0 HD21 LEU A 76 19.696 -24.537 -9.463 1.00 51.51 H new ATOM 0 HD22 LEU A 76 21.468 -24.652 -9.343 1.00 51.51 H new ATOM 0 HD23 LEU A 76 20.627 -25.318 -10.763 1.00 51.51 H new ATOM 1212 N ASN A 77 22.555 -30.419 -10.108 1.00 31.20 N ATOM 1213 CA ASN A 77 22.497 -31.486 -11.101 1.00 45.30 C ATOM 1214 C ASN A 77 22.391 -32.851 -10.428 1.00 4.32 C ATOM 1215 O ASN A 77 22.417 -33.887 -11.092 1.00 43.01 O ATOM 1216 CB ASN A 77 23.736 -31.442 -11.999 1.00 33.22 C ATOM 1217 CG ASN A 77 23.616 -30.405 -13.099 1.00 22.13 C ATOM 1218 OD1 ASN A 77 23.228 -30.719 -14.224 1.00 30.31 O ATOM 1219 ND2 ASN A 77 23.951 -29.161 -12.777 1.00 54.22 N ATOM 0 H ASN A 77 23.499 -30.157 -9.825 1.00 31.20 H new ATOM 0 HA ASN A 77 21.607 -31.332 -11.712 1.00 45.30 H new ATOM 0 HB2 ASN A 77 24.614 -31.223 -11.391 1.00 33.22 H new ATOM 0 HB3 ASN A 77 23.893 -32.424 -12.445 1.00 33.22 H new ATOM 0 HD21 ASN A 77 23.892 -28.420 -13.475 1.00 54.22 H new ATOM 0 HD22 ASN A 77 24.268 -28.947 -11.831 1.00 54.22 H new ATOM 1226 N LYS A 78 22.271 -32.844 -9.105 1.00 1.25 N ATOM 1227 CA LYS A 78 22.159 -34.080 -8.340 1.00 11.05 C ATOM 1228 C LYS A 78 20.746 -34.255 -7.793 1.00 73.31 C ATOM 1229 O LYS A 78 20.341 -35.362 -7.437 1.00 13.13 O ATOM 1230 CB LYS A 78 23.167 -34.084 -7.188 1.00 34.42 C ATOM 1231 CG LYS A 78 24.578 -33.719 -7.613 1.00 62.33 C ATOM 1232 CD LYS A 78 25.589 -34.042 -6.526 1.00 4.41 C ATOM 1233 CE LYS A 78 26.975 -34.282 -7.106 1.00 54.13 C ATOM 1234 NZ LYS A 78 27.869 -34.975 -6.138 1.00 71.55 N ATOM 0 H LYS A 78 22.249 -31.995 -8.540 1.00 1.25 H new ATOM 0 HA LYS A 78 22.377 -34.913 -9.009 1.00 11.05 H new ATOM 0 HB2 LYS A 78 22.834 -33.383 -6.423 1.00 34.42 H new ATOM 0 HB3 LYS A 78 23.179 -35.073 -6.730 1.00 34.42 H new ATOM 0 HG2 LYS A 78 24.836 -34.260 -8.523 1.00 62.33 H new ATOM 0 HG3 LYS A 78 24.624 -32.656 -7.850 1.00 62.33 H new ATOM 0 HD2 LYS A 78 25.630 -33.221 -5.811 1.00 4.41 H new ATOM 0 HD3 LYS A 78 25.265 -34.926 -5.978 1.00 4.41 H new ATOM 0 HE2 LYS A 78 26.890 -34.879 -8.014 1.00 54.13 H new ATOM 0 HE3 LYS A 78 27.419 -33.329 -7.392 1.00 54.13 H new ATOM 0 HZ1 LYS A 78 28.803 -35.120 -6.571 1.00 71.55 H new ATOM 0 HZ2 LYS A 78 27.971 -34.394 -5.282 1.00 71.55 H new ATOM 0 HZ3 LYS A 78 27.458 -35.896 -5.884 1.00 71.55 H new ATOM 1248 N ASP A 79 20.000 -33.158 -7.731 1.00 51.34 N ATOM 1249 CA ASP A 79 18.631 -33.191 -7.231 1.00 15.11 C ATOM 1250 C ASP A 79 17.712 -33.916 -8.209 1.00 72.41 C ATOM 1251 O ASP A 79 16.607 -34.328 -7.851 1.00 65.23 O ATOM 1252 CB ASP A 79 18.119 -31.770 -6.989 1.00 74.03 C ATOM 1253 CG ASP A 79 19.157 -30.885 -6.329 1.00 45.23 C ATOM 1254 OD1 ASP A 79 19.984 -31.415 -5.558 1.00 43.32 O ATOM 1255 OD2 ASP A 79 19.143 -29.662 -6.583 1.00 41.12 O ATOM 0 H ASP A 79 20.321 -32.234 -8.021 1.00 51.34 H new ATOM 0 HA ASP A 79 18.629 -33.736 -6.287 1.00 15.11 H new ATOM 0 HB2 ASP A 79 17.820 -31.328 -7.939 1.00 74.03 H new ATOM 0 HB3 ASP A 79 17.228 -31.810 -6.362 1.00 74.03 H new ATOM 1260 N LEU A 80 18.174 -34.069 -9.445 1.00 43.40 N ATOM 1261 CA LEU A 80 17.394 -34.744 -10.476 1.00 51.32 C ATOM 1262 C LEU A 80 18.004 -36.098 -10.822 1.00 65.00 C ATOM 1263 O LEU A 80 17.336 -36.966 -11.383 1.00 24.24 O ATOM 1264 CB LEU A 80 17.310 -33.874 -11.732 1.00 2.34 C ATOM 1265 CG LEU A 80 18.488 -32.929 -11.973 1.00 51.13 C ATOM 1266 CD1 LEU A 80 19.765 -33.719 -12.214 1.00 2.33 C ATOM 1267 CD2 LEU A 80 18.199 -32.007 -13.149 1.00 45.01 C ATOM 0 H LEU A 80 19.085 -33.734 -9.758 1.00 43.40 H new ATOM 0 HA LEU A 80 16.389 -34.908 -10.087 1.00 51.32 H new ATOM 0 HB2 LEU A 80 17.212 -34.529 -12.598 1.00 2.34 H new ATOM 0 HB3 LEU A 80 16.398 -33.279 -11.678 1.00 2.34 H new ATOM 0 HG LEU A 80 18.627 -32.317 -11.082 1.00 51.13 H new ATOM 0 HD11 LEU A 80 20.592 -33.030 -12.384 1.00 2.33 H new ATOM 0 HD12 LEU A 80 19.980 -34.337 -11.342 1.00 2.33 H new ATOM 0 HD13 LEU A 80 19.639 -34.357 -13.089 1.00 2.33 H new ATOM 0 HD21 LEU A 80 19.048 -31.341 -13.306 1.00 45.01 H new ATOM 0 HD22 LEU A 80 18.034 -32.603 -14.047 1.00 45.01 H new ATOM 0 HD23 LEU A 80 17.308 -31.416 -12.937 1.00 45.01 H new ATOM 1279 N ALA A 81 19.277 -36.272 -10.482 1.00 4.41 N ATOM 1280 CA ALA A 81 19.977 -37.522 -10.752 1.00 52.44 C ATOM 1281 C ALA A 81 19.284 -38.697 -10.071 1.00 2.21 C ATOM 1282 O ALA A 81 19.264 -39.808 -10.599 1.00 43.12 O ATOM 1283 CB ALA A 81 21.426 -37.425 -10.298 1.00 53.31 C ATOM 0 H ALA A 81 19.845 -35.563 -10.019 1.00 4.41 H new ATOM 0 HA ALA A 81 19.957 -37.696 -11.828 1.00 52.44 H new ATOM 0 HB1 ALA A 81 21.936 -38.366 -10.506 1.00 53.31 H new ATOM 0 HB2 ALA A 81 21.922 -36.617 -10.835 1.00 53.31 H new ATOM 0 HB3 ALA A 81 21.459 -37.223 -9.227 1.00 53.31 H new ATOM 1289 N GLU A 82 18.718 -38.443 -8.895 1.00 61.40 N ATOM 1290 CA GLU A 82 18.026 -39.482 -8.141 1.00 60.34 C ATOM 1291 C GLU A 82 16.566 -39.587 -8.574 1.00 3.14 C ATOM 1292 O GLU A 82 15.976 -40.668 -8.552 1.00 23.03 O ATOM 1293 CB GLU A 82 18.106 -39.194 -6.641 1.00 14.32 C ATOM 1294 CG GLU A 82 19.496 -39.381 -6.058 1.00 3.30 C ATOM 1295 CD GLU A 82 19.748 -40.802 -5.593 1.00 14.23 C ATOM 1296 OE1 GLU A 82 18.786 -41.458 -5.142 1.00 34.10 O ATOM 1297 OE2 GLU A 82 20.907 -41.258 -5.680 1.00 1.42 O ATOM 0 H GLU A 82 18.725 -37.528 -8.444 1.00 61.40 H new ATOM 0 HA GLU A 82 18.517 -40.433 -8.347 1.00 60.34 H new ATOM 0 HB2 GLU A 82 17.780 -38.170 -6.458 1.00 14.32 H new ATOM 0 HB3 GLU A 82 17.410 -39.849 -6.116 1.00 14.32 H new ATOM 0 HG2 GLU A 82 20.240 -39.111 -6.808 1.00 3.30 H new ATOM 0 HG3 GLU A 82 19.628 -38.699 -5.218 1.00 3.30 H new ATOM 1304 N LEU A 83 15.989 -38.456 -8.966 1.00 21.54 N ATOM 1305 CA LEU A 83 14.598 -38.419 -9.403 1.00 31.32 C ATOM 1306 C LEU A 83 14.406 -39.232 -10.680 1.00 4.45 C ATOM 1307 O LEU A 83 13.621 -40.180 -10.712 1.00 4.25 O ATOM 1308 CB LEU A 83 14.154 -36.974 -9.633 1.00 54.21 C ATOM 1309 CG LEU A 83 12.934 -36.782 -10.535 1.00 72.10 C ATOM 1310 CD1 LEU A 83 11.725 -37.501 -9.957 1.00 74.15 C ATOM 1311 CD2 LEU A 83 12.637 -35.301 -10.723 1.00 33.52 C ATOM 0 H LEU A 83 16.463 -37.553 -8.990 1.00 21.54 H new ATOM 0 HA LEU A 83 13.984 -38.861 -8.618 1.00 31.32 H new ATOM 0 HB2 LEU A 83 13.939 -36.522 -8.664 1.00 54.21 H new ATOM 0 HB3 LEU A 83 14.990 -36.422 -10.064 1.00 54.21 H new ATOM 0 HG LEU A 83 13.156 -37.214 -11.511 1.00 72.10 H new ATOM 0 HD11 LEU A 83 10.866 -37.353 -10.612 1.00 74.15 H new ATOM 0 HD12 LEU A 83 11.940 -38.566 -9.875 1.00 74.15 H new ATOM 0 HD13 LEU A 83 11.501 -37.099 -8.969 1.00 74.15 H new ATOM 0 HD21 LEU A 83 11.766 -35.184 -11.368 1.00 33.52 H new ATOM 0 HD22 LEU A 83 12.436 -34.844 -9.754 1.00 33.52 H new ATOM 0 HD23 LEU A 83 13.497 -34.813 -11.182 1.00 33.52 H new ATOM 1323 N ILE A 84 15.130 -38.855 -11.728 1.00 51.14 N ATOM 1324 CA ILE A 84 15.042 -39.551 -13.006 1.00 52.31 C ATOM 1325 C ILE A 84 15.250 -41.051 -12.831 1.00 33.25 C ATOM 1326 O ILE A 84 14.451 -41.858 -13.304 1.00 62.23 O ATOM 1327 CB ILE A 84 16.078 -39.015 -14.012 1.00 12.43 C ATOM 1328 CG1 ILE A 84 15.853 -37.522 -14.262 1.00 73.03 C ATOM 1329 CG2 ILE A 84 16.002 -39.794 -15.316 1.00 40.43 C ATOM 1330 CD1 ILE A 84 17.128 -36.757 -14.538 1.00 11.51 C ATOM 0 H ILE A 84 15.784 -38.072 -11.718 1.00 51.14 H new ATOM 0 HA ILE A 84 14.041 -39.368 -13.396 1.00 52.31 H new ATOM 0 HB ILE A 84 17.075 -39.147 -13.591 1.00 12.43 H new ATOM 0 HG12 ILE A 84 15.176 -37.401 -15.108 1.00 73.03 H new ATOM 0 HG13 ILE A 84 15.358 -37.087 -13.394 1.00 73.03 H new ATOM 0 HG21 ILE A 84 16.740 -39.404 -16.017 1.00 40.43 H new ATOM 0 HG22 ILE A 84 16.206 -40.847 -15.123 1.00 40.43 H new ATOM 0 HG23 ILE A 84 15.005 -39.690 -15.744 1.00 40.43 H new ATOM 0 HD11 ILE A 84 16.893 -35.706 -14.706 1.00 11.51 H new ATOM 0 HD12 ILE A 84 17.798 -36.847 -13.683 1.00 11.51 H new ATOM 0 HD13 ILE A 84 17.613 -37.166 -15.424 1.00 11.51 H new ATOM 1342 N ASN A 85 16.327 -41.417 -12.144 1.00 65.44 N ATOM 1343 CA ASN A 85 16.640 -42.822 -11.904 1.00 41.55 C ATOM 1344 C ASN A 85 15.509 -43.509 -11.145 1.00 40.35 C ATOM 1345 O ASN A 85 15.348 -44.727 -11.218 1.00 21.23 O ATOM 1346 CB ASN A 85 17.947 -42.948 -11.119 1.00 11.54 C ATOM 1347 CG ASN A 85 19.170 -42.845 -12.010 1.00 34.22 C ATOM 1348 OD1 ASN A 85 19.232 -41.786 -12.809 1.00 62.00 O flip ATOM 1349 ND2 ASN A 85 20.047 -43.708 -11.980 1.00 24.24 N flip ATOM 0 H ASN A 85 16.998 -40.761 -11.744 1.00 65.44 H new ATOM 0 HA ASN A 85 16.756 -43.313 -12.870 1.00 41.55 H new ATOM 0 HB2 ASN A 85 17.988 -42.167 -10.359 1.00 11.54 H new ATOM 0 HB3 ASN A 85 17.962 -43.904 -10.595 1.00 11.54 H new ATOM 0 HD21 ASN A 85 19.957 -44.505 -11.350 1.00 24.24 H new ATOM 0 HD22 ASN A 85 20.864 -43.626 -12.585 1.00 24.24 H new ATOM 1356 N LYS A 86 14.727 -42.719 -10.418 1.00 13.31 N ATOM 1357 CA LYS A 86 13.609 -43.249 -9.646 1.00 53.34 C ATOM 1358 C LYS A 86 12.391 -43.474 -10.537 1.00 63.43 C ATOM 1359 O LYS A 86 11.583 -44.367 -10.285 1.00 21.41 O ATOM 1360 CB LYS A 86 13.250 -42.292 -8.507 1.00 32.31 C ATOM 1361 CG LYS A 86 12.254 -42.872 -7.517 1.00 50.23 C ATOM 1362 CD LYS A 86 12.773 -44.155 -6.891 1.00 31.22 C ATOM 1363 CE LYS A 86 14.101 -43.933 -6.183 1.00 53.30 C ATOM 1364 NZ LYS A 86 15.259 -44.214 -7.076 1.00 0.42 N ATOM 0 H LYS A 86 14.847 -41.709 -10.347 1.00 13.31 H new ATOM 0 HA LYS A 86 13.912 -44.208 -9.225 1.00 53.34 H new ATOM 0 HB2 LYS A 86 14.160 -42.016 -7.975 1.00 32.31 H new ATOM 0 HB3 LYS A 86 12.838 -41.376 -8.930 1.00 32.31 H new ATOM 0 HG2 LYS A 86 12.050 -42.141 -6.735 1.00 50.23 H new ATOM 0 HG3 LYS A 86 11.309 -43.069 -8.023 1.00 50.23 H new ATOM 0 HD2 LYS A 86 12.040 -44.537 -6.180 1.00 31.22 H new ATOM 0 HD3 LYS A 86 12.894 -44.915 -7.663 1.00 31.22 H new ATOM 0 HE2 LYS A 86 14.156 -42.903 -5.829 1.00 53.30 H new ATOM 0 HE3 LYS A 86 14.156 -44.575 -5.304 1.00 53.30 H new ATOM 0 HZ1 LYS A 86 16.068 -44.533 -6.506 1.00 0.42 H new ATOM 0 HZ2 LYS A 86 15.000 -44.957 -7.756 1.00 0.42 H new ATOM 0 HZ3 LYS A 86 15.519 -43.348 -7.591 1.00 0.42 H new ATOM 1378 N MET A 87 12.268 -42.660 -11.581 1.00 20.35 N ATOM 1379 CA MET A 87 11.150 -42.774 -12.510 1.00 42.11 C ATOM 1380 C MET A 87 11.270 -44.040 -13.352 1.00 71.22 C ATOM 1381 O MET A 87 10.302 -44.783 -13.514 1.00 34.13 O ATOM 1382 CB MET A 87 11.089 -41.546 -13.421 1.00 3.15 C ATOM 1383 CG MET A 87 10.226 -41.747 -14.655 1.00 54.11 C ATOM 1384 SD MET A 87 8.568 -42.332 -14.255 1.00 54.22 S ATOM 1385 CE MET A 87 7.729 -40.781 -13.938 1.00 71.22 C ATOM 0 H MET A 87 12.928 -41.915 -11.804 1.00 20.35 H new ATOM 0 HA MET A 87 10.230 -42.832 -11.928 1.00 42.11 H new ATOM 0 HB2 MET A 87 10.703 -40.700 -12.852 1.00 3.15 H new ATOM 0 HB3 MET A 87 12.100 -41.285 -13.733 1.00 3.15 H new ATOM 0 HG2 MET A 87 10.153 -40.806 -15.200 1.00 54.11 H new ATOM 0 HG3 MET A 87 10.710 -42.463 -15.319 1.00 54.11 H new ATOM 0 HE1 MET A 87 7.171 -40.853 -13.005 1.00 71.22 H new ATOM 0 HE2 MET A 87 8.463 -39.979 -13.860 1.00 71.22 H new ATOM 0 HE3 MET A 87 7.042 -40.565 -14.756 1.00 71.22 H new ATOM 1395 N ARG A 88 12.463 -44.279 -13.887 1.00 30.54 N ATOM 1396 CA ARG A 88 12.708 -45.455 -14.713 1.00 71.12 C ATOM 1397 C ARG A 88 12.698 -46.726 -13.868 1.00 41.41 C ATOM 1398 O ARG A 88 12.599 -47.834 -14.396 1.00 25.33 O ATOM 1399 CB ARG A 88 14.048 -45.324 -15.440 1.00 54.31 C ATOM 1400 CG ARG A 88 15.231 -45.129 -14.506 1.00 53.10 C ATOM 1401 CD ARG A 88 16.513 -44.863 -15.279 1.00 51.31 C ATOM 1402 NE ARG A 88 16.817 -45.936 -16.221 1.00 73.35 N ATOM 1403 CZ ARG A 88 17.251 -47.136 -15.853 1.00 62.32 C ATOM 1404 NH1 ARG A 88 17.432 -47.415 -14.570 1.00 14.55 N ATOM 1405 NH2 ARG A 88 17.506 -48.061 -16.770 1.00 71.20 N ATOM 0 H ARG A 88 13.275 -43.674 -13.763 1.00 30.54 H new ATOM 0 HA ARG A 88 11.907 -45.523 -15.450 1.00 71.12 H new ATOM 0 HB2 ARG A 88 14.214 -46.218 -16.042 1.00 54.31 H new ATOM 0 HB3 ARG A 88 13.997 -44.481 -16.129 1.00 54.31 H new ATOM 0 HG2 ARG A 88 15.031 -44.295 -13.833 1.00 53.10 H new ATOM 0 HG3 ARG A 88 15.356 -46.016 -13.886 1.00 53.10 H new ATOM 0 HD2 ARG A 88 16.421 -43.921 -15.820 1.00 51.31 H new ATOM 0 HD3 ARG A 88 17.341 -44.749 -14.579 1.00 51.31 H new ATOM 0 HE ARG A 88 16.689 -45.754 -17.216 1.00 73.35 H new ATOM 0 HH11 ARG A 88 17.238 -46.707 -13.862 1.00 14.55 H new ATOM 0 HH12 ARG A 88 17.765 -48.338 -14.291 1.00 14.55 H new ATOM 0 HH21 ARG A 88 17.369 -47.851 -17.759 1.00 71.20 H new ATOM 0 HH22 ARG A 88 17.839 -48.982 -16.486 1.00 71.20 H new ATOM 1419 N LEU A 89 12.801 -46.557 -12.555 1.00 3.24 N ATOM 1420 CA LEU A 89 12.805 -47.690 -11.636 1.00 12.35 C ATOM 1421 C LEU A 89 11.420 -47.908 -11.035 1.00 72.00 C ATOM 1422 O LEU A 89 11.064 -49.025 -10.661 1.00 75.13 O ATOM 1423 CB LEU A 89 13.827 -47.464 -10.520 1.00 51.21 C ATOM 1424 CG LEU A 89 13.693 -48.368 -9.294 1.00 45.22 C ATOM 1425 CD1 LEU A 89 13.888 -49.825 -9.682 1.00 73.41 C ATOM 1426 CD2 LEU A 89 14.693 -47.962 -8.221 1.00 11.12 C ATOM 0 H LEU A 89 12.883 -45.647 -12.102 1.00 3.24 H new ATOM 0 HA LEU A 89 13.082 -48.581 -12.199 1.00 12.35 H new ATOM 0 HB2 LEU A 89 14.825 -47.596 -10.937 1.00 51.21 H new ATOM 0 HB3 LEU A 89 13.753 -46.427 -10.192 1.00 51.21 H new ATOM 0 HG LEU A 89 12.688 -48.252 -8.889 1.00 45.22 H new ATOM 0 HD11 LEU A 89 13.789 -50.454 -8.797 1.00 73.41 H new ATOM 0 HD12 LEU A 89 13.134 -50.110 -10.416 1.00 73.41 H new ATOM 0 HD13 LEU A 89 14.881 -49.957 -10.112 1.00 73.41 H new ATOM 0 HD21 LEU A 89 14.584 -48.616 -7.356 1.00 11.12 H new ATOM 0 HD22 LEU A 89 15.705 -48.049 -8.616 1.00 11.12 H new ATOM 0 HD23 LEU A 89 14.507 -46.930 -7.922 1.00 11.12 H new ATOM 1438 N ALA A 90 10.642 -46.834 -10.948 1.00 3.33 N ATOM 1439 CA ALA A 90 9.295 -46.909 -10.397 1.00 12.41 C ATOM 1440 C ALA A 90 8.390 -47.766 -11.275 1.00 54.53 C ATOM 1441 O ALA A 90 7.839 -48.768 -10.822 1.00 23.52 O ATOM 1442 CB ALA A 90 8.711 -45.512 -10.238 1.00 23.51 C ATOM 0 H ALA A 90 10.922 -45.902 -11.252 1.00 3.33 H new ATOM 0 HA ALA A 90 9.356 -47.379 -9.415 1.00 12.41 H new ATOM 0 HB1 ALA A 90 7.705 -45.583 -9.826 1.00 23.51 H new ATOM 0 HB2 ALA A 90 9.339 -44.930 -9.564 1.00 23.51 H new ATOM 0 HB3 ALA A 90 8.671 -45.022 -11.211 1.00 23.51 H new ATOM 1448 N GLN A 91 8.240 -47.363 -12.533 1.00 51.11 N ATOM 1449 CA GLN A 91 7.400 -48.094 -13.474 1.00 34.31 C ATOM 1450 C GLN A 91 7.985 -49.471 -13.770 1.00 41.03 C ATOM 1451 O GLN A 91 7.311 -50.334 -14.332 1.00 41.23 O ATOM 1452 CB GLN A 91 7.244 -47.303 -14.773 1.00 40.45 C ATOM 1453 CG GLN A 91 8.458 -47.385 -15.685 1.00 12.21 C ATOM 1454 CD GLN A 91 8.383 -46.412 -16.845 1.00 62.24 C ATOM 1455 OE1 GLN A 91 8.460 -46.809 -18.009 1.00 4.33 O ATOM 1456 NE2 GLN A 91 8.232 -45.130 -16.535 1.00 31.12 N ATOM 0 H GLN A 91 8.689 -46.535 -12.924 1.00 51.11 H new ATOM 0 HA GLN A 91 6.419 -48.227 -13.018 1.00 34.31 H new ATOM 0 HB2 GLN A 91 6.371 -47.672 -15.311 1.00 40.45 H new ATOM 0 HB3 GLN A 91 7.051 -46.258 -14.531 1.00 40.45 H new ATOM 0 HG2 GLN A 91 9.358 -47.184 -15.104 1.00 12.21 H new ATOM 0 HG3 GLN A 91 8.549 -48.400 -16.072 1.00 12.21 H new ATOM 0 HE21 GLN A 91 8.173 -44.845 -15.557 1.00 31.12 H new ATOM 0 HE22 GLN A 91 8.175 -44.430 -17.274 1.00 31.12 H new ATOM 1465 N GLN A 92 9.243 -49.668 -13.389 1.00 31.21 N ATOM 1466 CA GLN A 92 9.919 -50.940 -13.615 1.00 73.33 C ATOM 1467 C GLN A 92 9.092 -52.100 -13.070 1.00 62.44 C ATOM 1468 O GLN A 92 8.081 -51.894 -12.401 1.00 53.04 O ATOM 1469 CB GLN A 92 11.301 -50.931 -12.960 1.00 71.31 C ATOM 1470 CG GLN A 92 12.323 -51.794 -13.683 1.00 53.34 C ATOM 1471 CD GLN A 92 13.742 -51.294 -13.500 1.00 62.21 C ATOM 1472 OE1 GLN A 92 14.465 -51.754 -12.616 1.00 21.13 O ATOM 1473 NE2 GLN A 92 14.150 -50.348 -14.337 1.00 52.35 N ATOM 0 H GLN A 92 9.814 -48.963 -12.923 1.00 31.21 H new ATOM 0 HA GLN A 92 10.036 -51.075 -14.690 1.00 73.33 H new ATOM 0 HB2 GLN A 92 11.668 -49.905 -12.919 1.00 71.31 H new ATOM 0 HB3 GLN A 92 11.208 -51.278 -11.931 1.00 71.31 H new ATOM 0 HG2 GLN A 92 12.253 -52.818 -13.317 1.00 53.34 H new ATOM 0 HG3 GLN A 92 12.085 -51.819 -14.746 1.00 53.34 H new ATOM 0 HE21 GLN A 92 13.518 -49.995 -15.055 1.00 52.35 H new ATOM 0 HE22 GLN A 92 15.096 -49.974 -14.262 1.00 52.35 H new ATOM 1482 N ASN A 93 9.530 -53.321 -13.362 1.00 42.11 N ATOM 1483 CA ASN A 93 8.830 -54.515 -12.902 1.00 12.51 C ATOM 1484 C ASN A 93 8.574 -54.450 -11.399 1.00 50.32 C ATOM 1485 O ASN A 93 7.459 -54.693 -10.938 1.00 64.40 O ATOM 1486 CB ASN A 93 9.640 -55.768 -13.239 1.00 74.11 C ATOM 1487 CG ASN A 93 10.154 -55.758 -14.666 1.00 12.13 C ATOM 1488 OD1 ASN A 93 11.302 -55.393 -14.921 1.00 34.20 O ATOM 1489 ND2 ASN A 93 9.304 -56.159 -15.604 1.00 32.23 N ATOM 0 H ASN A 93 10.366 -53.509 -13.915 1.00 42.11 H new ATOM 0 HA ASN A 93 7.869 -54.563 -13.415 1.00 12.51 H new ATOM 0 HB2 ASN A 93 10.483 -55.848 -12.553 1.00 74.11 H new ATOM 0 HB3 ASN A 93 9.019 -56.651 -13.085 1.00 74.11 H new ATOM 0 HD21 ASN A 93 9.593 -56.173 -16.582 1.00 32.23 H new ATOM 0 HD22 ASN A 93 8.362 -56.453 -15.346 1.00 32.23 H new ATOM 1496 N ALA A 94 9.614 -54.119 -10.641 1.00 42.22 N ATOM 1497 CA ALA A 94 9.502 -54.019 -9.191 1.00 71.23 C ATOM 1498 C ALA A 94 9.009 -55.330 -8.587 1.00 44.14 C ATOM 1499 O ALA A 94 8.445 -55.348 -7.494 1.00 12.24 O ATOM 1500 CB ALA A 94 8.570 -52.878 -8.811 1.00 43.24 C ATOM 0 H ALA A 94 10.544 -53.915 -11.007 1.00 42.22 H new ATOM 0 HA ALA A 94 10.494 -53.813 -8.788 1.00 71.23 H new ATOM 0 HB1 ALA A 94 8.496 -52.815 -7.725 1.00 43.24 H new ATOM 0 HB2 ALA A 94 8.964 -51.940 -9.203 1.00 43.24 H new ATOM 0 HB3 ALA A 94 7.581 -53.060 -9.232 1.00 43.24 H new ATOM 1506 N VAL A 95 9.226 -56.426 -9.307 1.00 70.24 N ATOM 1507 CA VAL A 95 8.804 -57.742 -8.842 1.00 63.01 C ATOM 1508 C VAL A 95 9.407 -58.062 -7.479 1.00 63.31 C ATOM 1509 O VAL A 95 8.874 -58.879 -6.728 1.00 31.25 O ATOM 1510 CB VAL A 95 9.204 -58.845 -9.840 1.00 42.11 C ATOM 1511 CG1 VAL A 95 8.612 -60.183 -9.423 1.00 41.34 C ATOM 1512 CG2 VAL A 95 8.765 -58.474 -11.248 1.00 54.53 C ATOM 0 H VAL A 95 9.692 -56.429 -10.215 1.00 70.24 H new ATOM 0 HA VAL A 95 7.718 -57.715 -8.758 1.00 63.01 H new ATOM 0 HB VAL A 95 10.290 -58.938 -9.836 1.00 42.11 H new ATOM 0 HG11 VAL A 95 8.905 -60.950 -10.140 1.00 41.34 H new ATOM 0 HG12 VAL A 95 8.981 -60.451 -8.433 1.00 41.34 H new ATOM 0 HG13 VAL A 95 7.525 -60.108 -9.397 1.00 41.34 H new ATOM 0 HG21 VAL A 95 9.056 -59.264 -11.940 1.00 54.53 H new ATOM 0 HG22 VAL A 95 7.682 -58.352 -11.271 1.00 54.53 H new ATOM 0 HG23 VAL A 95 9.242 -57.540 -11.544 1.00 54.53 H new ATOM 1522 N THR A 96 10.524 -57.413 -7.165 1.00 11.34 N ATOM 1523 CA THR A 96 11.201 -57.628 -5.892 1.00 71.21 C ATOM 1524 C THR A 96 10.744 -56.616 -4.848 1.00 44.40 C ATOM 1525 O THR A 96 11.552 -56.100 -4.075 1.00 52.32 O ATOM 1526 CB THR A 96 12.731 -57.535 -6.047 1.00 14.13 C ATOM 1527 OG1 THR A 96 13.369 -57.851 -4.805 1.00 32.45 O ATOM 1528 CG2 THR A 96 13.145 -56.142 -6.495 1.00 42.32 C ATOM 0 H THR A 96 10.979 -56.734 -7.775 1.00 11.34 H new ATOM 0 HA THR A 96 10.937 -58.632 -5.559 1.00 71.21 H new ATOM 0 HB THR A 96 13.042 -58.252 -6.807 1.00 14.13 H new ATOM 0 HG1 THR A 96 12.952 -57.337 -4.083 1.00 32.45 H new ATOM 0 HG21 THR A 96 14.229 -56.100 -6.598 1.00 42.32 H new ATOM 0 HG22 THR A 96 12.681 -55.915 -7.455 1.00 42.32 H new ATOM 0 HG23 THR A 96 12.822 -55.411 -5.754 1.00 42.32 H new ATOM 1536 N SER A 97 9.445 -56.336 -4.830 1.00 41.22 N ATOM 1537 CA SER A 97 8.882 -55.382 -3.882 1.00 54.22 C ATOM 1538 C SER A 97 9.643 -54.060 -3.924 1.00 21.44 C ATOM 1539 O SER A 97 10.382 -53.727 -2.996 1.00 42.24 O ATOM 1540 CB SER A 97 8.915 -55.958 -2.465 1.00 72.35 C ATOM 1541 OG SER A 97 7.894 -55.394 -1.661 1.00 52.21 O ATOM 0 H SER A 97 8.763 -56.756 -5.461 1.00 41.22 H new ATOM 0 HA SER A 97 7.847 -55.194 -4.166 1.00 54.22 H new ATOM 0 HB2 SER A 97 8.793 -57.040 -2.506 1.00 72.35 H new ATOM 0 HB3 SER A 97 9.887 -55.764 -2.013 1.00 72.35 H new ATOM 0 HG SER A 97 7.936 -55.780 -0.761 1.00 52.21 H new ATOM 1547 N LEU A 98 9.458 -53.312 -5.005 1.00 55.22 N ATOM 1548 CA LEU A 98 10.126 -52.026 -5.170 1.00 3.24 C ATOM 1549 C LEU A 98 9.280 -51.075 -6.011 1.00 30.55 C ATOM 1550 O LEU A 98 9.809 -50.253 -6.757 1.00 44.44 O ATOM 1551 CB LEU A 98 11.496 -52.221 -5.822 1.00 51.44 C ATOM 1552 CG LEU A 98 12.472 -51.050 -5.697 1.00 73.13 C ATOM 1553 CD1 LEU A 98 12.697 -50.697 -4.235 1.00 53.54 C ATOM 1554 CD2 LEU A 98 13.792 -51.382 -6.377 1.00 42.41 C ATOM 0 H LEU A 98 8.850 -53.574 -5.781 1.00 55.22 H new ATOM 0 HA LEU A 98 10.260 -51.585 -4.182 1.00 3.24 H new ATOM 0 HB2 LEU A 98 11.962 -53.104 -5.385 1.00 51.44 H new ATOM 0 HB3 LEU A 98 11.346 -52.431 -6.881 1.00 51.44 H new ATOM 0 HG LEU A 98 12.037 -50.184 -6.196 1.00 73.13 H new ATOM 0 HD11 LEU A 98 13.394 -49.862 -4.165 1.00 53.54 H new ATOM 0 HD12 LEU A 98 11.748 -50.417 -3.778 1.00 53.54 H new ATOM 0 HD13 LEU A 98 13.111 -51.559 -3.712 1.00 53.54 H new ATOM 0 HD21 LEU A 98 14.474 -50.538 -6.278 1.00 42.41 H new ATOM 0 HD22 LEU A 98 14.232 -52.261 -5.907 1.00 42.41 H new ATOM 0 HD23 LEU A 98 13.616 -51.585 -7.433 1.00 42.41 H new ATOM 1566 N SER A 99 7.962 -51.194 -5.882 1.00 43.41 N ATOM 1567 CA SER A 99 7.042 -50.346 -6.631 1.00 62.14 C ATOM 1568 C SER A 99 6.551 -49.185 -5.772 1.00 75.30 C ATOM 1569 O SER A 99 6.740 -48.020 -6.118 1.00 52.13 O ATOM 1570 CB SER A 99 5.851 -51.167 -7.130 1.00 40.51 C ATOM 1571 OG SER A 99 5.282 -50.586 -8.290 1.00 53.45 O ATOM 0 H SER A 99 7.508 -51.869 -5.266 1.00 43.41 H new ATOM 0 HA SER A 99 7.578 -49.938 -7.488 1.00 62.14 H new ATOM 0 HB2 SER A 99 6.173 -52.185 -7.350 1.00 40.51 H new ATOM 0 HB3 SER A 99 5.097 -51.234 -6.346 1.00 40.51 H new ATOM 0 HG SER A 99 4.524 -51.130 -8.590 1.00 53.45 H new ATOM 1577 N GLU A 100 5.918 -49.514 -4.650 1.00 24.33 N ATOM 1578 CA GLU A 100 5.399 -48.499 -3.741 1.00 34.30 C ATOM 1579 C GLU A 100 6.531 -47.654 -3.164 1.00 72.13 C ATOM 1580 O GLU A 100 6.414 -46.434 -3.055 1.00 31.23 O ATOM 1581 CB GLU A 100 4.608 -49.155 -2.607 1.00 23.13 C ATOM 1582 CG GLU A 100 3.209 -49.587 -3.011 1.00 32.44 C ATOM 1583 CD GLU A 100 2.539 -50.452 -1.960 1.00 63.01 C ATOM 1584 OE1 GLU A 100 2.021 -49.892 -0.972 1.00 3.41 O ATOM 1585 OE2 GLU A 100 2.534 -51.690 -2.127 1.00 55.21 O ATOM 0 H GLU A 100 5.753 -50.474 -4.349 1.00 24.33 H new ATOM 0 HA GLU A 100 4.735 -47.846 -4.308 1.00 34.30 H new ATOM 0 HB2 GLU A 100 5.158 -50.025 -2.248 1.00 23.13 H new ATOM 0 HB3 GLU A 100 4.537 -48.456 -1.774 1.00 23.13 H new ATOM 0 HG2 GLU A 100 2.598 -48.703 -3.192 1.00 32.44 H new ATOM 0 HG3 GLU A 100 3.260 -50.137 -3.951 1.00 32.44 H new ATOM 1592 N GLU A 101 7.625 -48.313 -2.797 1.00 65.11 N ATOM 1593 CA GLU A 101 8.778 -47.622 -2.230 1.00 70.54 C ATOM 1594 C GLU A 101 9.373 -46.641 -3.236 1.00 60.33 C ATOM 1595 O GLU A 101 9.823 -45.556 -2.869 1.00 71.23 O ATOM 1596 CB GLU A 101 9.842 -48.632 -1.795 1.00 63.03 C ATOM 1597 CG GLU A 101 11.152 -47.990 -1.369 1.00 71.22 C ATOM 1598 CD GLU A 101 12.219 -49.012 -1.028 1.00 35.54 C ATOM 1599 OE1 GLU A 101 11.858 -50.104 -0.540 1.00 23.42 O ATOM 1600 OE2 GLU A 101 13.413 -48.721 -1.247 1.00 54.04 O ATOM 0 H GLU A 101 7.738 -49.323 -2.882 1.00 65.11 H new ATOM 0 HA GLU A 101 8.441 -47.062 -1.358 1.00 70.54 H new ATOM 0 HB2 GLU A 101 9.452 -49.225 -0.968 1.00 63.03 H new ATOM 0 HB3 GLU A 101 10.035 -49.321 -2.617 1.00 63.03 H new ATOM 0 HG2 GLU A 101 11.514 -47.346 -2.170 1.00 71.22 H new ATOM 0 HG3 GLU A 101 10.975 -47.352 -0.503 1.00 71.22 H new ATOM 1607 N ALA A 102 9.372 -47.032 -4.507 1.00 11.24 N ATOM 1608 CA ALA A 102 9.910 -46.187 -5.566 1.00 33.31 C ATOM 1609 C ALA A 102 9.051 -44.943 -5.766 1.00 33.33 C ATOM 1610 O ALA A 102 9.557 -43.874 -6.108 1.00 21.52 O ATOM 1611 CB ALA A 102 10.015 -46.973 -6.865 1.00 10.42 C ATOM 0 H ALA A 102 9.005 -47.928 -4.828 1.00 11.24 H new ATOM 0 HA ALA A 102 10.907 -45.863 -5.268 1.00 33.31 H new ATOM 0 HB1 ALA A 102 10.418 -46.330 -7.648 1.00 10.42 H new ATOM 0 HB2 ALA A 102 10.676 -47.827 -6.721 1.00 10.42 H new ATOM 0 HB3 ALA A 102 9.026 -47.325 -7.158 1.00 10.42 H new ATOM 1617 N LYS A 103 7.748 -45.089 -5.551 1.00 34.11 N ATOM 1618 CA LYS A 103 6.817 -43.978 -5.707 1.00 11.44 C ATOM 1619 C LYS A 103 7.152 -42.847 -4.739 1.00 25.31 C ATOM 1620 O LYS A 103 7.512 -41.746 -5.157 1.00 22.55 O ATOM 1621 CB LYS A 103 5.380 -44.452 -5.475 1.00 25.01 C ATOM 1622 CG LYS A 103 4.378 -43.852 -6.446 1.00 32.45 C ATOM 1623 CD LYS A 103 4.276 -44.673 -7.720 1.00 63.03 C ATOM 1624 CE LYS A 103 2.933 -44.475 -8.405 1.00 51.34 C ATOM 1625 NZ LYS A 103 2.416 -45.743 -8.990 1.00 51.12 N ATOM 0 H LYS A 103 7.313 -45.967 -5.268 1.00 34.11 H new ATOM 0 HA LYS A 103 6.909 -43.601 -6.726 1.00 11.44 H new ATOM 0 HB2 LYS A 103 5.347 -45.538 -5.557 1.00 25.01 H new ATOM 0 HB3 LYS A 103 5.083 -44.200 -4.457 1.00 25.01 H new ATOM 0 HG2 LYS A 103 3.399 -43.794 -5.970 1.00 32.45 H new ATOM 0 HG3 LYS A 103 4.674 -42.832 -6.692 1.00 32.45 H new ATOM 0 HD2 LYS A 103 5.078 -44.390 -8.401 1.00 63.03 H new ATOM 0 HD3 LYS A 103 4.414 -45.729 -7.486 1.00 63.03 H new ATOM 0 HE2 LYS A 103 2.212 -44.087 -7.685 1.00 51.34 H new ATOM 0 HE3 LYS A 103 3.033 -43.727 -9.191 1.00 51.34 H new ATOM 0 HZ1 LYS A 103 1.533 -45.553 -9.506 1.00 51.12 H new ATOM 0 HZ2 LYS A 103 3.122 -46.136 -9.645 1.00 51.12 H new ATOM 0 HZ3 LYS A 103 2.232 -46.427 -8.228 1.00 51.12 H new ATOM 1639 N ARG A 104 7.034 -43.127 -3.445 1.00 72.22 N ATOM 1640 CA ARG A 104 7.325 -42.134 -2.419 1.00 0.33 C ATOM 1641 C ARG A 104 8.745 -41.596 -2.569 1.00 62.54 C ATOM 1642 O ARG A 104 9.036 -40.468 -2.175 1.00 5.20 O ATOM 1643 CB ARG A 104 7.143 -42.740 -1.026 1.00 13.20 C ATOM 1644 CG ARG A 104 8.007 -43.965 -0.777 1.00 74.32 C ATOM 1645 CD ARG A 104 7.672 -44.622 0.553 1.00 3.21 C ATOM 1646 NE ARG A 104 8.071 -43.793 1.688 1.00 74.12 N ATOM 1647 CZ ARG A 104 7.693 -44.030 2.939 1.00 23.12 C ATOM 1648 NH1 ARG A 104 6.913 -45.066 3.215 1.00 51.10 N ATOM 1649 NH2 ARG A 104 8.097 -43.230 3.918 1.00 21.40 N ATOM 0 H ARG A 104 6.739 -44.034 -3.083 1.00 72.22 H new ATOM 0 HA ARG A 104 6.626 -41.306 -2.542 1.00 0.33 H new ATOM 0 HB2 ARG A 104 7.376 -41.983 -0.277 1.00 13.20 H new ATOM 0 HB3 ARG A 104 6.096 -43.011 -0.891 1.00 13.20 H new ATOM 0 HG2 ARG A 104 7.864 -44.683 -1.585 1.00 74.32 H new ATOM 0 HG3 ARG A 104 9.059 -43.678 -0.788 1.00 74.32 H new ATOM 0 HD2 ARG A 104 6.600 -44.814 0.603 1.00 3.21 H new ATOM 0 HD3 ARG A 104 8.172 -45.588 0.616 1.00 3.21 H new ATOM 0 HE ARG A 104 8.672 -42.989 1.510 1.00 74.12 H new ATOM 0 HH11 ARG A 104 6.601 -45.684 2.466 1.00 51.10 H new ATOM 0 HH12 ARG A 104 6.625 -45.245 4.177 1.00 51.10 H new ATOM 0 HH21 ARG A 104 8.698 -42.433 3.710 1.00 21.40 H new ATOM 0 HH22 ARG A 104 7.806 -43.413 4.879 1.00 21.40 H new ATOM 1663 N GLN A 105 9.624 -42.413 -3.142 1.00 33.21 N ATOM 1664 CA GLN A 105 11.013 -42.020 -3.343 1.00 43.11 C ATOM 1665 C GLN A 105 11.139 -41.042 -4.507 1.00 22.03 C ATOM 1666 O GLN A 105 12.038 -40.202 -4.529 1.00 63.14 O ATOM 1667 CB GLN A 105 11.882 -43.252 -3.601 1.00 20.32 C ATOM 1668 CG GLN A 105 12.391 -43.914 -2.331 1.00 4.14 C ATOM 1669 CD GLN A 105 13.206 -42.971 -1.468 1.00 3.34 C ATOM 1670 OE1 GLN A 105 14.382 -42.724 -1.737 1.00 22.12 O ATOM 1671 NE2 GLN A 105 12.584 -42.437 -0.423 1.00 20.00 N ATOM 0 H GLN A 105 9.398 -43.350 -3.475 1.00 33.21 H new ATOM 0 HA GLN A 105 11.358 -41.524 -2.436 1.00 43.11 H new ATOM 0 HB2 GLN A 105 11.306 -43.979 -4.174 1.00 20.32 H new ATOM 0 HB3 GLN A 105 12.734 -42.963 -4.217 1.00 20.32 H new ATOM 0 HG2 GLN A 105 11.544 -44.287 -1.755 1.00 4.14 H new ATOM 0 HG3 GLN A 105 13.001 -44.778 -2.595 1.00 4.14 H new ATOM 0 HE21 GLN A 105 11.608 -42.669 -0.237 1.00 20.00 H new ATOM 0 HE22 GLN A 105 13.082 -41.795 0.193 1.00 20.00 H new ATOM 1680 N MET A 106 10.232 -41.158 -5.471 1.00 43.23 N ATOM 1681 CA MET A 106 10.242 -40.283 -6.638 1.00 1.21 C ATOM 1682 C MET A 106 10.002 -38.832 -6.232 1.00 31.35 C ATOM 1683 O MET A 106 10.791 -37.946 -6.562 1.00 13.34 O ATOM 1684 CB MET A 106 9.178 -40.726 -7.643 1.00 54.04 C ATOM 1685 CG MET A 106 9.608 -40.570 -9.093 1.00 24.22 C ATOM 1686 SD MET A 106 8.242 -40.783 -10.250 1.00 42.11 S ATOM 1687 CE MET A 106 7.445 -42.235 -9.569 1.00 72.04 C ATOM 0 H MET A 106 9.481 -41.849 -5.468 1.00 43.23 H new ATOM 0 HA MET A 106 11.224 -40.353 -7.105 1.00 1.21 H new ATOM 0 HB2 MET A 106 8.927 -41.770 -7.457 1.00 54.04 H new ATOM 0 HB3 MET A 106 8.270 -40.146 -7.478 1.00 54.04 H new ATOM 0 HG2 MET A 106 10.047 -39.582 -9.233 1.00 24.22 H new ATOM 0 HG3 MET A 106 10.386 -41.300 -9.318 1.00 24.22 H new ATOM 0 HE1 MET A 106 6.909 -42.760 -10.359 1.00 72.04 H new ATOM 0 HE2 MET A 106 8.198 -42.896 -9.140 1.00 72.04 H new ATOM 0 HE3 MET A 106 6.742 -41.934 -8.792 1.00 72.04 H new ATOM 1697 N LEU A 107 8.909 -38.597 -5.514 1.00 52.13 N ATOM 1698 CA LEU A 107 8.565 -37.253 -5.063 1.00 34.00 C ATOM 1699 C LEU A 107 9.632 -36.705 -4.121 1.00 41.35 C ATOM 1700 O LEU A 107 9.782 -35.491 -3.974 1.00 62.30 O ATOM 1701 CB LEU A 107 7.205 -37.262 -4.361 1.00 44.13 C ATOM 1702 CG LEU A 107 6.901 -36.055 -3.473 1.00 32.32 C ATOM 1703 CD1 LEU A 107 5.423 -35.704 -3.538 1.00 75.00 C ATOM 1704 CD2 LEU A 107 7.323 -36.330 -2.037 1.00 34.42 C ATOM 0 H LEU A 107 8.246 -39.319 -5.232 1.00 52.13 H new ATOM 0 HA LEU A 107 8.512 -36.605 -5.938 1.00 34.00 H new ATOM 0 HB2 LEU A 107 6.427 -37.334 -5.121 1.00 44.13 H new ATOM 0 HB3 LEU A 107 7.139 -38.163 -3.751 1.00 44.13 H new ATOM 0 HG LEU A 107 7.472 -35.203 -3.842 1.00 32.32 H new ATOM 0 HD11 LEU A 107 5.225 -34.843 -2.900 1.00 75.00 H new ATOM 0 HD12 LEU A 107 5.151 -35.464 -4.566 1.00 75.00 H new ATOM 0 HD13 LEU A 107 4.832 -36.553 -3.195 1.00 75.00 H new ATOM 0 HD21 LEU A 107 7.099 -35.460 -1.419 1.00 34.42 H new ATOM 0 HD22 LEU A 107 6.779 -37.195 -1.657 1.00 34.42 H new ATOM 0 HD23 LEU A 107 8.394 -36.532 -2.005 1.00 34.42 H new ATOM 1716 N THR A 108 10.374 -37.607 -3.487 1.00 2.12 N ATOM 1717 CA THR A 108 11.429 -37.214 -2.561 1.00 34.35 C ATOM 1718 C THR A 108 12.600 -36.578 -3.299 1.00 43.41 C ATOM 1719 O THR A 108 13.282 -35.704 -2.765 1.00 3.15 O ATOM 1720 CB THR A 108 11.941 -38.419 -1.750 1.00 25.35 C ATOM 1721 OG1 THR A 108 10.867 -38.999 -1.001 1.00 60.35 O ATOM 1722 CG2 THR A 108 13.056 -38.000 -0.803 1.00 43.23 C ATOM 0 H THR A 108 10.264 -38.615 -3.598 1.00 2.12 H new ATOM 0 HA THR A 108 10.995 -36.484 -1.878 1.00 34.35 H new ATOM 0 HB THR A 108 12.336 -39.156 -2.449 1.00 25.35 H new ATOM 0 HG1 THR A 108 10.234 -39.427 -1.615 1.00 60.35 H new ATOM 0 HG21 THR A 108 13.401 -38.868 -0.241 1.00 43.23 H new ATOM 0 HG22 THR A 108 13.885 -37.586 -1.377 1.00 43.23 H new ATOM 0 HG23 THR A 108 12.682 -37.245 -0.111 1.00 43.23 H new ATOM 1730 N ALA A 109 12.828 -37.021 -4.531 1.00 42.32 N ATOM 1731 CA ALA A 109 13.916 -36.492 -5.344 1.00 42.32 C ATOM 1732 C ALA A 109 13.482 -35.235 -6.091 1.00 64.24 C ATOM 1733 O ALA A 109 14.253 -34.285 -6.228 1.00 23.33 O ATOM 1734 CB ALA A 109 14.405 -37.548 -6.324 1.00 21.42 C ATOM 0 H ALA A 109 12.274 -37.745 -4.988 1.00 42.32 H new ATOM 0 HA ALA A 109 14.736 -36.223 -4.678 1.00 42.32 H new ATOM 0 HB1 ALA A 109 15.217 -37.139 -6.924 1.00 21.42 H new ATOM 0 HB2 ALA A 109 14.763 -38.418 -5.773 1.00 21.42 H new ATOM 0 HB3 ALA A 109 13.585 -37.845 -6.978 1.00 21.42 H new ATOM 1740 N SER A 110 12.244 -35.237 -6.574 1.00 61.44 N ATOM 1741 CA SER A 110 11.709 -34.099 -7.312 1.00 44.12 C ATOM 1742 C SER A 110 11.730 -32.837 -6.454 1.00 71.53 C ATOM 1743 O SER A 110 12.210 -31.788 -6.884 1.00 71.01 O ATOM 1744 CB SER A 110 10.281 -34.390 -7.777 1.00 21.45 C ATOM 1745 OG SER A 110 10.166 -35.712 -8.274 1.00 22.44 O ATOM 0 H SER A 110 11.592 -36.014 -6.467 1.00 61.44 H new ATOM 0 HA SER A 110 12.340 -33.935 -8.185 1.00 44.12 H new ATOM 0 HB2 SER A 110 9.589 -34.249 -6.947 1.00 21.45 H new ATOM 0 HB3 SER A 110 9.996 -33.680 -8.554 1.00 21.45 H new ATOM 0 HG SER A 110 9.430 -36.170 -7.817 1.00 22.44 H new ATOM 1751 N HIS A 111 11.205 -32.948 -5.238 1.00 22.11 N ATOM 1752 CA HIS A 111 11.163 -31.817 -4.318 1.00 21.13 C ATOM 1753 C HIS A 111 12.551 -31.208 -4.141 1.00 71.43 C ATOM 1754 O HIS A 111 12.689 -30.008 -3.904 1.00 12.14 O ATOM 1755 CB HIS A 111 10.610 -32.256 -2.962 1.00 32.23 C ATOM 1756 CG HIS A 111 10.373 -31.120 -2.015 1.00 53.12 C ATOM 1757 ND1 HIS A 111 10.333 -29.784 -2.228 1.00 14.44 N flip ATOM 1758 CD2 HIS A 111 10.142 -31.299 -0.668 1.00 44.32 C flip ATOM 1759 CE1 HIS A 111 10.081 -29.186 -1.018 1.00 13.31 C flip ATOM 1760 NE2 HIS A 111 9.969 -30.122 -0.093 1.00 54.22 N flip ATOM 0 H HIS A 111 10.803 -33.809 -4.867 1.00 22.11 H new ATOM 0 HA HIS A 111 10.505 -31.059 -4.743 1.00 21.13 H new ATOM 0 HB2 HIS A 111 9.673 -32.790 -3.117 1.00 32.23 H new ATOM 0 HB3 HIS A 111 11.306 -32.959 -2.505 1.00 32.23 H new ATOM 0 HD2 HIS A 111 10.108 -32.252 -0.162 1.00 44.32 H new ATOM 0 HE1 HIS A 111 9.989 -28.123 -0.850 1.00 13.31 H new ATOM 0 HE2 HIS A 111 9.781 -29.963 0.897 1.00 54.22 H new ATOM 1768 N THR A 112 13.578 -32.044 -4.258 1.00 60.42 N ATOM 1769 CA THR A 112 14.955 -31.589 -4.110 1.00 34.52 C ATOM 1770 C THR A 112 15.285 -30.497 -5.120 1.00 54.04 C ATOM 1771 O THR A 112 15.944 -29.511 -4.790 1.00 44.55 O ATOM 1772 CB THR A 112 15.952 -32.751 -4.282 1.00 52.23 C ATOM 1773 OG1 THR A 112 15.502 -33.896 -3.549 1.00 40.32 O ATOM 1774 CG2 THR A 112 17.339 -32.349 -3.804 1.00 13.31 C ATOM 0 H THR A 112 13.482 -33.040 -4.455 1.00 60.42 H new ATOM 0 HA THR A 112 15.048 -31.186 -3.101 1.00 34.52 H new ATOM 0 HB THR A 112 16.008 -32.998 -5.342 1.00 52.23 H new ATOM 0 HG1 THR A 112 16.140 -34.630 -3.665 1.00 40.32 H new ATOM 0 HG21 THR A 112 18.026 -33.185 -3.935 1.00 13.31 H new ATOM 0 HG22 THR A 112 17.691 -31.496 -4.384 1.00 13.31 H new ATOM 0 HG23 THR A 112 17.296 -32.077 -2.749 1.00 13.31 H new ATOM 1782 N LEU A 113 14.822 -30.678 -6.352 1.00 53.23 N ATOM 1783 CA LEU A 113 15.067 -29.706 -7.412 1.00 62.13 C ATOM 1784 C LEU A 113 14.500 -28.340 -7.041 1.00 14.14 C ATOM 1785 O LEU A 113 14.976 -27.309 -7.515 1.00 75.14 O ATOM 1786 CB LEU A 113 14.449 -30.188 -8.726 1.00 11.31 C ATOM 1787 CG LEU A 113 15.181 -31.329 -9.434 1.00 13.44 C ATOM 1788 CD1 LEU A 113 14.551 -32.667 -9.081 1.00 32.04 C ATOM 1789 CD2 LEU A 113 15.173 -31.114 -10.940 1.00 74.12 C ATOM 0 H LEU A 113 14.275 -31.489 -6.642 1.00 53.23 H new ATOM 0 HA LEU A 113 16.145 -29.608 -7.539 1.00 62.13 H new ATOM 0 HB2 LEU A 113 13.426 -30.507 -8.527 1.00 11.31 H new ATOM 0 HB3 LEU A 113 14.391 -29.341 -9.409 1.00 11.31 H new ATOM 0 HG LEU A 113 16.217 -31.338 -9.094 1.00 13.44 H new ATOM 0 HD11 LEU A 113 15.085 -33.467 -9.594 1.00 32.04 H new ATOM 0 HD12 LEU A 113 14.610 -32.824 -8.004 1.00 32.04 H new ATOM 0 HD13 LEU A 113 13.506 -32.671 -9.392 1.00 32.04 H new ATOM 0 HD21 LEU A 113 15.698 -31.935 -11.428 1.00 74.12 H new ATOM 0 HD22 LEU A 113 14.144 -31.079 -11.297 1.00 74.12 H new ATOM 0 HD23 LEU A 113 15.671 -30.174 -11.176 1.00 74.12 H new ATOM 1801 N ALA A 114 13.481 -28.340 -6.187 1.00 70.31 N ATOM 1802 CA ALA A 114 12.852 -27.101 -5.748 1.00 75.12 C ATOM 1803 C ALA A 114 13.488 -26.588 -4.461 1.00 34.23 C ATOM 1804 O ALA A 114 13.738 -25.392 -4.314 1.00 11.14 O ATOM 1805 CB ALA A 114 11.357 -27.308 -5.555 1.00 34.13 C ATOM 0 H ALA A 114 13.074 -29.185 -5.786 1.00 70.31 H new ATOM 0 HA ALA A 114 13.007 -26.350 -6.522 1.00 75.12 H new ATOM 0 HB1 ALA A 114 10.900 -26.374 -5.227 1.00 34.13 H new ATOM 0 HB2 ALA A 114 10.908 -27.620 -6.498 1.00 34.13 H new ATOM 0 HB3 ALA A 114 11.191 -28.078 -4.802 1.00 34.13 H new ATOM 1811 N VAL A 115 13.746 -27.501 -3.529 1.00 43.15 N ATOM 1812 CA VAL A 115 14.354 -27.141 -2.254 1.00 13.21 C ATOM 1813 C VAL A 115 15.675 -26.409 -2.461 1.00 53.35 C ATOM 1814 O VAL A 115 16.020 -25.502 -1.703 1.00 55.15 O ATOM 1815 CB VAL A 115 14.600 -28.384 -1.379 1.00 23.02 C ATOM 1816 CG1 VAL A 115 15.260 -27.991 -0.066 1.00 1.21 C ATOM 1817 CG2 VAL A 115 13.296 -29.126 -1.128 1.00 41.13 C ATOM 0 H VAL A 115 13.543 -28.495 -3.634 1.00 43.15 H new ATOM 0 HA VAL A 115 13.653 -26.480 -1.745 1.00 13.21 H new ATOM 0 HB VAL A 115 15.275 -29.053 -1.912 1.00 23.02 H new ATOM 0 HG11 VAL A 115 15.426 -28.882 0.539 1.00 1.21 H new ATOM 0 HG12 VAL A 115 16.215 -27.508 -0.269 1.00 1.21 H new ATOM 0 HG13 VAL A 115 14.612 -27.301 0.475 1.00 1.21 H new ATOM 0 HG21 VAL A 115 13.489 -30.001 -0.508 1.00 41.13 H new ATOM 0 HG22 VAL A 115 12.595 -28.467 -0.616 1.00 41.13 H new ATOM 0 HG23 VAL A 115 12.868 -29.442 -2.079 1.00 41.13 H new ATOM 1827 N ASP A 116 16.410 -26.808 -3.493 1.00 41.02 N ATOM 1828 CA ASP A 116 17.694 -26.189 -3.802 1.00 53.24 C ATOM 1829 C ASP A 116 17.498 -24.892 -4.581 1.00 51.22 C ATOM 1830 O ASP A 116 18.429 -24.103 -4.736 1.00 44.24 O ATOM 1831 CB ASP A 116 18.569 -27.153 -4.605 1.00 10.13 C ATOM 1832 CG ASP A 116 19.162 -28.250 -3.743 1.00 73.40 C ATOM 1833 OD1 ASP A 116 19.970 -27.930 -2.846 1.00 14.11 O ATOM 1834 OD2 ASP A 116 18.817 -29.430 -3.965 1.00 41.21 O ATOM 0 H ASP A 116 16.139 -27.557 -4.130 1.00 41.02 H new ATOM 0 HA ASP A 116 18.193 -25.956 -2.861 1.00 53.24 H new ATOM 0 HB2 ASP A 116 17.975 -27.602 -5.401 1.00 10.13 H new ATOM 0 HB3 ASP A 116 19.374 -26.596 -5.084 1.00 10.13 H new ATOM 1839 N ALA A 117 16.280 -24.679 -5.070 1.00 24.12 N ATOM 1840 CA ALA A 117 15.962 -23.478 -5.832 1.00 2.23 C ATOM 1841 C ALA A 117 15.433 -22.375 -4.922 1.00 14.24 C ATOM 1842 O ALA A 117 14.850 -21.396 -5.389 1.00 32.10 O ATOM 1843 CB ALA A 117 14.950 -23.797 -6.922 1.00 12.13 C ATOM 0 H ALA A 117 15.498 -25.323 -4.952 1.00 24.12 H new ATOM 0 HA ALA A 117 16.880 -23.119 -6.298 1.00 2.23 H new ATOM 0 HB1 ALA A 117 14.722 -22.891 -7.483 1.00 12.13 H new ATOM 0 HB2 ALA A 117 15.365 -24.546 -7.596 1.00 12.13 H new ATOM 0 HB3 ALA A 117 14.037 -24.183 -6.469 1.00 12.13 H new ATOM 1849 N LYS A 118 15.638 -22.539 -3.619 1.00 71.32 N ATOM 1850 CA LYS A 118 15.182 -21.558 -2.642 1.00 51.43 C ATOM 1851 C LYS A 118 16.331 -21.109 -1.745 1.00 12.20 C ATOM 1852 O LYS A 118 16.569 -19.914 -1.578 1.00 2.45 O ATOM 1853 CB LYS A 118 14.053 -22.142 -1.790 1.00 23.21 C ATOM 1854 CG LYS A 118 12.680 -21.600 -2.145 1.00 34.11 C ATOM 1855 CD LYS A 118 12.226 -22.082 -3.513 1.00 22.43 C ATOM 1856 CE LYS A 118 10.771 -21.725 -3.776 1.00 5.32 C ATOM 1857 NZ LYS A 118 10.570 -21.198 -5.154 1.00 63.32 N ATOM 0 H LYS A 118 16.118 -23.344 -3.215 1.00 71.32 H new ATOM 0 HA LYS A 118 14.807 -20.690 -3.184 1.00 51.43 H new ATOM 0 HB2 LYS A 118 14.047 -23.226 -1.904 1.00 23.21 H new ATOM 0 HB3 LYS A 118 14.256 -21.933 -0.740 1.00 23.21 H new ATOM 0 HG2 LYS A 118 11.958 -21.913 -1.390 1.00 34.11 H new ATOM 0 HG3 LYS A 118 12.704 -20.510 -2.132 1.00 34.11 H new ATOM 0 HD2 LYS A 118 12.856 -21.638 -4.284 1.00 22.43 H new ATOM 0 HD3 LYS A 118 12.354 -23.162 -3.580 1.00 22.43 H new ATOM 0 HE2 LYS A 118 10.148 -22.608 -3.630 1.00 5.32 H new ATOM 0 HE3 LYS A 118 10.443 -20.980 -3.051 1.00 5.32 H new ATOM 0 HZ1 LYS A 118 10.203 -20.226 -5.104 1.00 63.32 H new ATOM 0 HZ2 LYS A 118 11.477 -21.200 -5.662 1.00 63.32 H new ATOM 0 HZ3 LYS A 118 9.889 -21.799 -5.660 1.00 63.32 H new ATOM 1871 N ASN A 119 17.040 -22.075 -1.171 1.00 61.44 N ATOM 1872 CA ASN A 119 18.165 -21.779 -0.292 1.00 0.12 C ATOM 1873 C ASN A 119 19.209 -20.931 -1.011 1.00 43.33 C ATOM 1874 O ASN A 119 19.963 -20.188 -0.381 1.00 42.21 O ATOM 1875 CB ASN A 119 18.803 -23.076 0.210 1.00 72.13 C ATOM 1876 CG ASN A 119 19.817 -23.637 -0.768 1.00 70.41 C ATOM 1877 OD1 ASN A 119 19.349 -24.023 -1.950 1.00 0.13 O flip ATOM 1878 ND2 ASN A 119 21.007 -23.723 -0.465 1.00 31.15 N flip ATOM 0 H ASN A 119 16.855 -23.070 -1.299 1.00 61.44 H new ATOM 0 HA ASN A 119 17.788 -21.214 0.560 1.00 0.12 H new ATOM 0 HB2 ASN A 119 19.289 -22.892 1.168 1.00 72.13 H new ATOM 0 HB3 ASN A 119 18.023 -23.817 0.386 1.00 72.13 H new ATOM 0 HD21 ASN A 119 21.323 -23.414 0.454 1.00 31.15 H new ATOM 0 HD22 ASN A 119 21.677 -24.103 -1.133 1.00 31.15 H new ATOM 1885 N LEU A 120 19.248 -21.046 -2.334 1.00 54.11 N ATOM 1886 CA LEU A 120 20.199 -20.289 -3.141 1.00 31.22 C ATOM 1887 C LEU A 120 19.719 -18.856 -3.348 1.00 34.31 C ATOM 1888 O LEU A 120 20.516 -17.917 -3.352 1.00 32.31 O ATOM 1889 CB LEU A 120 20.405 -20.971 -4.495 1.00 2.34 C ATOM 1890 CG LEU A 120 21.804 -20.852 -5.100 1.00 4.34 C ATOM 1891 CD1 LEU A 120 21.837 -21.461 -6.493 1.00 2.32 C ATOM 1892 CD2 LEU A 120 22.245 -19.396 -5.141 1.00 44.15 C ATOM 0 H LEU A 120 18.632 -21.656 -2.871 1.00 54.11 H new ATOM 0 HA LEU A 120 21.149 -20.260 -2.607 1.00 31.22 H new ATOM 0 HB2 LEU A 120 20.167 -22.029 -4.386 1.00 2.34 H new ATOM 0 HB3 LEU A 120 19.688 -20.554 -5.202 1.00 2.34 H new ATOM 0 HG LEU A 120 22.500 -21.404 -4.469 1.00 4.34 H new ATOM 0 HD11 LEU A 120 22.841 -21.367 -6.908 1.00 2.32 H new ATOM 0 HD12 LEU A 120 21.565 -22.515 -6.436 1.00 2.32 H new ATOM 0 HD13 LEU A 120 21.129 -20.938 -7.136 1.00 2.32 H new ATOM 0 HD21 LEU A 120 23.243 -19.330 -5.575 1.00 44.15 H new ATOM 0 HD22 LEU A 120 21.546 -18.821 -5.749 1.00 44.15 H new ATOM 0 HD23 LEU A 120 22.262 -18.992 -4.129 1.00 44.15 H new ATOM 1904 N LEU A 121 18.411 -18.695 -3.518 1.00 30.05 N ATOM 1905 CA LEU A 121 17.823 -17.376 -3.723 1.00 1.22 C ATOM 1906 C LEU A 121 18.236 -16.417 -2.611 1.00 41.41 C ATOM 1907 O LEU A 121 18.475 -15.234 -2.855 1.00 50.30 O ATOM 1908 CB LEU A 121 16.298 -17.479 -3.783 1.00 1.05 C ATOM 1909 CG LEU A 121 15.528 -16.174 -3.573 1.00 63.41 C ATOM 1910 CD1 LEU A 121 16.079 -15.079 -4.473 1.00 24.21 C ATOM 1911 CD2 LEU A 121 14.044 -16.384 -3.833 1.00 14.33 C ATOM 0 H LEU A 121 17.738 -19.461 -3.518 1.00 30.05 H new ATOM 0 HA LEU A 121 18.192 -16.984 -4.671 1.00 1.22 H new ATOM 0 HB2 LEU A 121 16.020 -17.890 -4.754 1.00 1.05 H new ATOM 0 HB3 LEU A 121 15.972 -18.195 -3.029 1.00 1.05 H new ATOM 0 HG LEU A 121 15.655 -15.862 -2.536 1.00 63.41 H new ATOM 0 HD11 LEU A 121 15.519 -14.158 -4.310 1.00 24.21 H new ATOM 0 HD12 LEU A 121 17.130 -14.911 -4.239 1.00 24.21 H new ATOM 0 HD13 LEU A 121 15.983 -15.382 -5.516 1.00 24.21 H new ATOM 0 HD21 LEU A 121 13.511 -15.446 -3.679 1.00 14.33 H new ATOM 0 HD22 LEU A 121 13.898 -16.720 -4.860 1.00 14.33 H new ATOM 0 HD23 LEU A 121 13.657 -17.137 -3.147 1.00 14.33 H new ATOM 1923 N ASP A 122 18.320 -16.935 -1.391 1.00 2.22 N ATOM 1924 CA ASP A 122 18.708 -16.125 -0.241 1.00 71.34 C ATOM 1925 C ASP A 122 20.192 -15.776 -0.298 1.00 72.14 C ATOM 1926 O ASP A 122 20.623 -14.765 0.254 1.00 1.40 O ATOM 1927 CB ASP A 122 18.395 -16.866 1.060 1.00 42.13 C ATOM 1928 CG ASP A 122 18.061 -15.921 2.198 1.00 64.53 C ATOM 1929 OD1 ASP A 122 17.308 -14.953 1.964 1.00 45.32 O ATOM 1930 OD2 ASP A 122 18.552 -16.152 3.322 1.00 4.54 O ATOM 0 H ASP A 122 18.125 -17.912 -1.172 1.00 2.22 H new ATOM 0 HA ASP A 122 18.134 -15.199 -0.270 1.00 71.34 H new ATOM 0 HB2 ASP A 122 17.557 -17.544 0.896 1.00 42.13 H new ATOM 0 HB3 ASP A 122 19.251 -17.480 1.340 1.00 42.13 H new ATOM 1935 N ALA A 123 20.968 -16.621 -0.969 1.00 51.24 N ATOM 1936 CA ALA A 123 22.403 -16.401 -1.099 1.00 50.03 C ATOM 1937 C ALA A 123 22.702 -15.328 -2.141 1.00 71.31 C ATOM 1938 O ALA A 123 23.501 -14.423 -1.903 1.00 2.21 O ATOM 1939 CB ALA A 123 23.105 -17.701 -1.461 1.00 65.21 C ATOM 0 H ALA A 123 20.627 -17.464 -1.431 1.00 51.24 H new ATOM 0 HA ALA A 123 22.781 -16.052 -0.138 1.00 50.03 H new ATOM 0 HB1 ALA A 123 24.176 -17.522 -1.555 1.00 65.21 H new ATOM 0 HB2 ALA A 123 22.928 -18.440 -0.680 1.00 65.21 H new ATOM 0 HB3 ALA A 123 22.715 -18.074 -2.408 1.00 65.21 H new ATOM 1945 N VAL A 124 22.056 -15.437 -3.298 1.00 15.44 N ATOM 1946 CA VAL A 124 22.252 -14.475 -4.376 1.00 61.42 C ATOM 1947 C VAL A 124 21.761 -13.089 -3.973 1.00 62.44 C ATOM 1948 O VAL A 124 22.363 -12.078 -4.333 1.00 5.53 O ATOM 1949 CB VAL A 124 21.521 -14.914 -5.659 1.00 62.11 C ATOM 1950 CG1 VAL A 124 22.134 -16.191 -6.213 1.00 22.32 C ATOM 1951 CG2 VAL A 124 20.036 -15.100 -5.389 1.00 12.55 C ATOM 0 H VAL A 124 21.393 -16.182 -3.513 1.00 15.44 H new ATOM 0 HA VAL A 124 23.323 -14.434 -4.573 1.00 61.42 H new ATOM 0 HB VAL A 124 21.636 -14.130 -6.407 1.00 62.11 H new ATOM 0 HG11 VAL A 124 21.604 -16.485 -7.119 1.00 22.32 H new ATOM 0 HG12 VAL A 124 23.185 -16.019 -6.447 1.00 22.32 H new ATOM 0 HG13 VAL A 124 22.053 -16.985 -5.471 1.00 22.32 H new ATOM 0 HG21 VAL A 124 19.535 -15.410 -6.306 1.00 12.55 H new ATOM 0 HG22 VAL A 124 19.898 -15.864 -4.624 1.00 12.55 H new ATOM 0 HG23 VAL A 124 19.608 -14.159 -5.043 1.00 12.55 H new ATOM 1961 N ASP A 125 20.664 -13.051 -3.225 1.00 4.11 N ATOM 1962 CA ASP A 125 20.092 -11.789 -2.771 1.00 44.50 C ATOM 1963 C ASP A 125 21.133 -10.956 -2.029 1.00 22.02 C ATOM 1964 O ASP A 125 21.335 -9.782 -2.336 1.00 4.43 O ATOM 1965 CB ASP A 125 18.887 -12.046 -1.865 1.00 62.54 C ATOM 1966 CG ASP A 125 18.079 -10.791 -1.606 1.00 12.53 C ATOM 1967 OD1 ASP A 125 18.659 -9.806 -1.103 1.00 52.53 O ATOM 1968 OD2 ASP A 125 16.866 -10.793 -1.904 1.00 11.10 O ATOM 0 H ASP A 125 20.153 -13.880 -2.920 1.00 4.11 H new ATOM 0 HA ASP A 125 19.764 -11.231 -3.648 1.00 44.50 H new ATOM 0 HB2 ASP A 125 18.246 -12.799 -2.323 1.00 62.54 H new ATOM 0 HB3 ASP A 125 19.231 -12.455 -0.915 1.00 62.54 H new ATOM 1973 N GLN A 126 21.789 -11.573 -1.051 1.00 10.31 N ATOM 1974 CA GLN A 126 22.807 -10.887 -0.264 1.00 64.30 C ATOM 1975 C GLN A 126 24.115 -10.779 -1.042 1.00 13.41 C ATOM 1976 O GLN A 126 24.812 -9.768 -0.964 1.00 41.44 O ATOM 1977 CB GLN A 126 23.045 -11.625 1.055 1.00 52.30 C ATOM 1978 CG GLN A 126 21.871 -11.543 2.017 1.00 32.43 C ATOM 1979 CD GLN A 126 21.911 -12.624 3.080 1.00 5.30 C ATOM 1980 OE1 GLN A 126 22.269 -12.366 4.230 1.00 62.51 O ATOM 1981 NE2 GLN A 126 21.544 -13.842 2.701 1.00 52.05 N ATOM 0 H GLN A 126 21.634 -12.545 -0.785 1.00 10.31 H new ATOM 0 HA GLN A 126 22.448 -9.880 -0.050 1.00 64.30 H new ATOM 0 HB2 GLN A 126 23.258 -12.673 0.843 1.00 52.30 H new ATOM 0 HB3 GLN A 126 23.930 -11.212 1.539 1.00 52.30 H new ATOM 0 HG2 GLN A 126 21.868 -10.565 2.499 1.00 32.43 H new ATOM 0 HG3 GLN A 126 20.940 -11.625 1.456 1.00 32.43 H new ATOM 0 HE21 GLN A 126 21.254 -14.011 1.738 1.00 52.05 H new ATOM 0 HE22 GLN A 126 21.551 -14.609 3.373 1.00 52.05 H new ATOM 1990 N ALA A 127 24.441 -11.827 -1.791 1.00 54.31 N ATOM 1991 CA ALA A 127 25.663 -11.848 -2.584 1.00 63.14 C ATOM 1992 C ALA A 127 25.699 -10.684 -3.569 1.00 61.42 C ATOM 1993 O ALA A 127 26.719 -10.009 -3.712 1.00 72.31 O ATOM 1994 CB ALA A 127 25.790 -13.172 -3.324 1.00 14.12 C ATOM 0 H ALA A 127 23.875 -12.673 -1.865 1.00 54.31 H new ATOM 0 HA ALA A 127 26.509 -11.741 -1.905 1.00 63.14 H new ATOM 0 HB1 ALA A 127 26.708 -13.173 -3.912 1.00 14.12 H new ATOM 0 HB2 ALA A 127 25.819 -13.990 -2.604 1.00 14.12 H new ATOM 0 HB3 ALA A 127 24.934 -13.302 -3.986 1.00 14.12 H new ATOM 2000 N LYS A 128 24.580 -10.455 -4.248 1.00 10.14 N ATOM 2001 CA LYS A 128 24.482 -9.372 -5.219 1.00 61.34 C ATOM 2002 C LYS A 128 24.679 -8.018 -4.546 1.00 53.44 C ATOM 2003 O LYS A 128 24.943 -7.016 -5.211 1.00 3.40 O ATOM 2004 CB LYS A 128 23.124 -9.412 -5.923 1.00 15.12 C ATOM 2005 CG LYS A 128 23.181 -9.992 -7.325 1.00 64.22 C ATOM 2006 CD LYS A 128 22.709 -11.436 -7.351 1.00 73.13 C ATOM 2007 CE LYS A 128 22.302 -11.864 -8.753 1.00 63.31 C ATOM 2008 NZ LYS A 128 22.401 -13.339 -8.933 1.00 31.31 N ATOM 0 H LYS A 128 23.728 -11.006 -4.143 1.00 10.14 H new ATOM 0 HA LYS A 128 25.271 -9.508 -5.958 1.00 61.34 H new ATOM 0 HB2 LYS A 128 22.431 -10.002 -5.323 1.00 15.12 H new ATOM 0 HB3 LYS A 128 22.721 -8.401 -5.974 1.00 15.12 H new ATOM 0 HG2 LYS A 128 22.561 -9.394 -7.993 1.00 64.22 H new ATOM 0 HG3 LYS A 128 24.202 -9.935 -7.702 1.00 64.22 H new ATOM 0 HD2 LYS A 128 23.504 -12.087 -6.987 1.00 73.13 H new ATOM 0 HD3 LYS A 128 21.864 -11.556 -6.673 1.00 73.13 H new ATOM 0 HE2 LYS A 128 21.279 -11.542 -8.948 1.00 63.31 H new ATOM 0 HE3 LYS A 128 22.938 -11.365 -9.484 1.00 63.31 H new ATOM 0 HZ1 LYS A 128 22.434 -13.563 -9.948 1.00 31.31 H new ATOM 0 HZ2 LYS A 128 23.266 -13.688 -8.473 1.00 31.31 H new ATOM 0 HZ3 LYS A 128 21.572 -13.797 -8.504 1.00 31.31 H new ATOM 2022 N VAL A 129 24.549 -7.995 -3.224 1.00 11.43 N ATOM 2023 CA VAL A 129 24.715 -6.763 -2.461 1.00 31.44 C ATOM 2024 C VAL A 129 26.184 -6.509 -2.141 1.00 53.41 C ATOM 2025 O VAL A 129 26.660 -5.375 -2.218 1.00 73.10 O ATOM 2026 CB VAL A 129 23.915 -6.806 -1.145 1.00 73.12 C ATOM 2027 CG1 VAL A 129 24.007 -5.472 -0.420 1.00 53.04 C ATOM 2028 CG2 VAL A 129 22.464 -7.176 -1.416 1.00 63.13 C ATOM 0 H VAL A 129 24.329 -8.815 -2.659 1.00 11.43 H new ATOM 0 HA VAL A 129 24.335 -5.952 -3.082 1.00 31.44 H new ATOM 0 HB VAL A 129 24.348 -7.572 -0.502 1.00 73.12 H new ATOM 0 HG11 VAL A 129 23.436 -5.522 0.507 1.00 53.04 H new ATOM 0 HG12 VAL A 129 25.050 -5.253 -0.192 1.00 53.04 H new ATOM 0 HG13 VAL A 129 23.601 -4.684 -1.055 1.00 53.04 H new ATOM 0 HG21 VAL A 129 21.913 -7.202 -0.476 1.00 63.13 H new ATOM 0 HG22 VAL A 129 22.017 -6.434 -2.078 1.00 63.13 H new ATOM 0 HG23 VAL A 129 22.421 -8.157 -1.889 1.00 63.13 H new ATOM 2038 N LEU A 130 26.898 -7.570 -1.783 1.00 10.33 N ATOM 2039 CA LEU A 130 28.315 -7.462 -1.452 1.00 34.14 C ATOM 2040 C LEU A 130 29.133 -7.077 -2.680 1.00 22.42 C ATOM 2041 O LEU A 130 30.104 -6.327 -2.581 1.00 73.21 O ATOM 2042 CB LEU A 130 28.826 -8.784 -0.877 1.00 63.33 C ATOM 2043 CG LEU A 130 27.883 -9.508 0.085 1.00 42.14 C ATOM 2044 CD1 LEU A 130 28.599 -10.664 0.765 1.00 60.51 C ATOM 2045 CD2 LEU A 130 27.329 -8.539 1.119 1.00 44.43 C ATOM 0 H LEU A 130 26.520 -8.515 -1.714 1.00 10.33 H new ATOM 0 HA LEU A 130 28.430 -6.679 -0.703 1.00 34.14 H new ATOM 0 HB2 LEU A 130 29.051 -9.455 -1.706 1.00 63.33 H new ATOM 0 HB3 LEU A 130 29.765 -8.592 -0.358 1.00 63.33 H new ATOM 0 HG LEU A 130 27.049 -9.911 -0.489 1.00 42.14 H new ATOM 0 HD11 LEU A 130 27.912 -11.167 1.446 1.00 60.51 H new ATOM 0 HD12 LEU A 130 28.946 -11.371 0.011 1.00 60.51 H new ATOM 0 HD13 LEU A 130 29.453 -10.284 1.326 1.00 60.51 H new ATOM 0 HD21 LEU A 130 26.660 -9.072 1.795 1.00 44.43 H new ATOM 0 HD22 LEU A 130 28.151 -8.106 1.689 1.00 44.43 H new ATOM 0 HD23 LEU A 130 26.778 -7.745 0.615 1.00 44.43 H new ATOM 2057 N ALA A 131 28.733 -7.595 -3.837 1.00 4.12 N ATOM 2058 CA ALA A 131 29.427 -7.302 -5.085 1.00 22.31 C ATOM 2059 C ALA A 131 29.532 -5.799 -5.315 1.00 53.53 C ATOM 2060 O ALA A 131 30.448 -5.326 -5.987 1.00 20.43 O ATOM 2061 CB ALA A 131 28.716 -7.969 -6.253 1.00 12.00 C ATOM 0 H ALA A 131 27.932 -8.219 -3.936 1.00 4.12 H new ATOM 0 HA ALA A 131 30.438 -7.703 -5.013 1.00 22.31 H new ATOM 0 HB1 ALA A 131 29.245 -7.742 -7.179 1.00 12.00 H new ATOM 0 HB2 ALA A 131 28.699 -9.048 -6.100 1.00 12.00 H new ATOM 0 HB3 ALA A 131 27.694 -7.596 -6.318 1.00 12.00 H new