USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc=0.000348 USER MOD Set 1.2: B 213 ASN : amide:sc= 0.00096 X(o=0.0013,f=0) USER MOD Set 2.1: A 6 TYR OH : rot 165:sc= -0.358 USER MOD Set 2.2: B 212 ASN : amide:sc= -7.74! C(o=-8.1!,f=-14!) USER MOD Set 3.1: A 21 TYR OH : rot 30:sc= 0.875 USER MOD Set 3.2: A 45 THR OG1 : rot -165:sc= 1.74 USER MOD Set 4.1: A 12 ASN : amide:sc= -7.39! C(o=-8.6!,f=-11!) USER MOD Set 4.2: B 206 TYR OH : rot 110:sc= -1.2 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -2.56 USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.839 USER MOD Single : A 11 THR OG1 : rot 162:sc= -2.35 USER MOD Single : A 13 ASN : amide:sc= 0.00553 X(o=0.0055,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.675 X(o=-0.68,f=-0.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 27 MET CE :methyl -136:sc= -1.95! (180deg=-4.62!) USER MOD Single : A 28 THR OG1 : rot -170:sc= -1.42! USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= -0.0221 (180deg=-1.08) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.57 F(o=-1.2,f=-0.57) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot 180:sc= -3.68! USER MOD Single : B 207 THR OG1 : rot 175:sc= 0.0055 USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 163:sc= -2.65 USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.44) USER MOD Single : B 218 SER OG : rot 180:sc= 0 USER MOD Single : B 221 TYR OH : rot 66:sc= -1.1! USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 225 THR OG1 : rot 180:sc= -0.111 USER MOD Single : B 227 MET CE :methyl 163:sc= -0.0432 (180deg=-0.415) USER MOD Single : B 228 THR OG1 : rot 180:sc= 0.145 USER MOD Single : B 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 ASN :FLIP amide:sc= -1.52 F(o=-2.4!,f=-1.5) USER MOD Single : B 245 THR OG1 : rot 89:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 3 -0.907 -20.016 -6.840 1.00 0.00 N ATOM 26 CA LYS A 3 0.131 -19.740 -5.861 1.00 0.00 C ATOM 27 C LYS A 3 -0.383 -18.709 -4.855 1.00 0.00 C ATOM 28 O LYS A 3 -1.438 -18.111 -5.059 1.00 0.00 O ATOM 29 CB LYS A 3 1.429 -19.326 -6.558 1.00 0.00 C ATOM 30 CG LYS A 3 2.175 -20.546 -7.100 1.00 0.00 C ATOM 31 CD LYS A 3 1.209 -21.532 -7.760 1.00 0.00 C ATOM 32 CE LYS A 3 1.960 -22.520 -8.655 1.00 0.00 C ATOM 33 NZ LYS A 3 1.844 -23.895 -8.119 1.00 0.00 N ATOM 0 HA LYS A 3 0.372 -20.642 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.204 -18.641 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.067 -18.788 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.924 -20.226 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.707 -21.041 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.659 -22.077 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.474 -20.986 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.557 -22.482 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.010 -22.236 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.359 -24.553 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.250 -23.930 -7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.841 -24.169 -8.080 1.00 0.00 H new ATOM 47 N ALA A 4 0.387 -18.533 -3.791 1.00 0.00 N ATOM 48 CA ALA A 4 0.022 -17.585 -2.752 1.00 0.00 C ATOM 49 C ALA A 4 0.932 -16.358 -2.845 1.00 0.00 C ATOM 50 O ALA A 4 2.021 -16.346 -2.274 1.00 0.00 O ATOM 51 CB ALA A 4 0.100 -18.268 -1.386 1.00 0.00 C ATOM 0 H ALA A 4 1.262 -19.031 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.005 -17.245 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.174 -17.556 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.587 -19.114 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.117 -18.621 -1.213 1.00 0.00 H new ATOM 57 N THR A 5 0.452 -15.358 -3.568 1.00 0.00 N ATOM 58 CA THR A 5 1.210 -14.130 -3.743 1.00 0.00 C ATOM 59 C THR A 5 0.272 -12.921 -3.755 1.00 0.00 C ATOM 60 O THR A 5 -0.927 -13.065 -3.987 1.00 0.00 O ATOM 61 CB THR A 5 2.043 -14.266 -5.018 1.00 0.00 C ATOM 62 OG1 THR A 5 1.077 -14.490 -6.042 1.00 0.00 O ATOM 63 CG2 THR A 5 2.897 -15.535 -5.028 1.00 0.00 C ATOM 0 H THR A 5 -0.452 -15.372 -4.040 1.00 0.00 H new ATOM 0 HA THR A 5 1.892 -13.964 -2.909 1.00 0.00 H new ATOM 0 HB THR A 5 2.688 -13.394 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.531 -14.588 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.468 -15.582 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.582 -15.519 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.250 -16.409 -4.956 1.00 0.00 H new ATOM 71 N TYR A 6 0.853 -11.759 -3.501 1.00 0.00 N ATOM 72 CA TYR A 6 0.084 -10.526 -3.481 1.00 0.00 C ATOM 73 C TYR A 6 0.780 -9.432 -4.295 1.00 0.00 C ATOM 74 O TYR A 6 2.005 -9.332 -4.286 1.00 0.00 O ATOM 75 CB TYR A 6 0.022 -10.093 -2.015 1.00 0.00 C ATOM 76 CG TYR A 6 -1.249 -10.537 -1.288 1.00 0.00 C ATOM 77 CD1 TYR A 6 -1.402 -11.856 -0.909 1.00 0.00 C ATOM 78 CD2 TYR A 6 -2.243 -9.621 -1.012 1.00 0.00 C ATOM 79 CE1 TYR A 6 -2.598 -12.276 -0.226 1.00 0.00 C ATOM 80 CE2 TYR A 6 -3.439 -10.040 -0.328 1.00 0.00 C ATOM 81 CZ TYR A 6 -3.558 -11.347 0.031 1.00 0.00 C ATOM 82 OH TYR A 6 -4.687 -11.742 0.677 1.00 0.00 O ATOM 0 H TYR A 6 1.848 -11.644 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.904 -10.682 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.888 -10.497 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.097 -9.007 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.624 -12.573 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.124 -8.589 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.730 -13.305 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.224 -9.333 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.169 -10.954 1.005 1.00 0.00 H new ATOM 92 N THR A 7 -0.034 -8.640 -4.976 1.00 0.00 N ATOM 93 CA THR A 7 0.488 -7.557 -5.793 1.00 0.00 C ATOM 94 C THR A 7 0.096 -6.203 -5.197 1.00 0.00 C ATOM 95 O THR A 7 -1.072 -5.821 -5.226 1.00 0.00 O ATOM 96 CB THR A 7 -0.017 -7.759 -7.223 1.00 0.00 C ATOM 97 OG1 THR A 7 0.061 -9.167 -7.423 1.00 0.00 O ATOM 98 CG2 THR A 7 0.940 -7.182 -8.269 1.00 0.00 C ATOM 0 H THR A 7 -1.050 -8.726 -4.979 1.00 0.00 H new ATOM 0 HA THR A 7 1.578 -7.566 -5.812 1.00 0.00 H new ATOM 0 HB THR A 7 -0.997 -7.294 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.250 -9.387 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.534 -7.352 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.058 -6.111 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.910 -7.671 -8.184 1.00 0.00 H new ATOM 106 N VAL A 8 1.098 -5.514 -4.669 1.00 0.00 N ATOM 107 CA VAL A 8 0.874 -4.211 -4.066 1.00 0.00 C ATOM 108 C VAL A 8 1.396 -3.122 -5.006 1.00 0.00 C ATOM 109 O VAL A 8 2.597 -3.041 -5.260 1.00 0.00 O ATOM 110 CB VAL A 8 1.513 -4.159 -2.677 1.00 0.00 C ATOM 111 CG1 VAL A 8 1.745 -2.713 -2.234 1.00 0.00 C ATOM 112 CG2 VAL A 8 0.665 -4.917 -1.655 1.00 0.00 C ATOM 0 H VAL A 8 2.066 -5.834 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.192 -4.035 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 8 2.484 -4.651 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.200 -2.704 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.409 -2.217 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.792 -2.186 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.142 -4.864 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.327 -4.468 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.575 -5.960 -1.959 1.00 0.00 H new ATOM 122 N THR A 9 0.469 -2.313 -5.496 1.00 0.00 N ATOM 123 CA THR A 9 0.821 -1.233 -6.402 1.00 0.00 C ATOM 124 C THR A 9 0.564 0.123 -5.741 1.00 0.00 C ATOM 125 O THR A 9 -0.523 0.367 -5.221 1.00 0.00 O ATOM 126 CB THR A 9 0.040 -1.434 -7.703 1.00 0.00 C ATOM 127 OG1 THR A 9 0.467 -2.710 -8.171 1.00 0.00 O ATOM 128 CG2 THR A 9 0.480 -0.467 -8.805 1.00 0.00 C ATOM 0 H THR A 9 -0.526 -2.384 -5.283 1.00 0.00 H new ATOM 0 HA THR A 9 1.885 -1.246 -6.640 1.00 0.00 H new ATOM 0 HB THR A 9 -1.025 -1.305 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.424 -2.731 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.105 -0.652 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.321 0.559 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.537 -0.619 -9.021 1.00 0.00 H new ATOM 136 N VAL A 10 1.583 0.968 -5.785 1.00 0.00 N ATOM 137 CA VAL A 10 1.481 2.293 -5.197 1.00 0.00 C ATOM 138 C VAL A 10 1.833 3.343 -6.252 1.00 0.00 C ATOM 139 O VAL A 10 2.932 3.328 -6.805 1.00 0.00 O ATOM 140 CB VAL A 10 2.361 2.381 -3.948 1.00 0.00 C ATOM 141 CG1 VAL A 10 2.696 3.836 -3.616 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.695 1.686 -2.759 1.00 0.00 C ATOM 0 H VAL A 10 2.483 0.761 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 10 0.459 2.489 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 10 3.296 1.862 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.322 3.871 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.230 4.286 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.775 4.389 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.341 1.763 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.739 2.164 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.530 0.635 -2.997 1.00 0.00 H new ATOM 152 N THR A 11 0.880 4.231 -6.500 1.00 0.00 N ATOM 153 CA THR A 11 1.077 5.286 -7.480 1.00 0.00 C ATOM 154 C THR A 11 0.763 6.651 -6.862 1.00 0.00 C ATOM 155 O THR A 11 -0.138 6.769 -6.033 1.00 0.00 O ATOM 156 CB THR A 11 0.219 4.961 -8.704 1.00 0.00 C ATOM 157 OG1 THR A 11 0.755 3.732 -9.187 1.00 0.00 O ATOM 158 CG2 THR A 11 0.444 5.944 -9.854 1.00 0.00 C ATOM 0 H THR A 11 -0.030 4.241 -6.039 1.00 0.00 H new ATOM 0 HA THR A 11 2.117 5.340 -7.801 1.00 0.00 H new ATOM 0 HB THR A 11 -0.834 4.968 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.104 3.302 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.189 5.668 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.192 6.952 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.490 5.913 -10.160 1.00 0.00 H new ATOM 166 N ASN A 12 1.524 7.647 -7.292 1.00 0.00 N ATOM 167 CA ASN A 12 1.337 8.999 -6.792 1.00 0.00 C ATOM 168 C ASN A 12 0.512 9.802 -7.800 1.00 0.00 C ATOM 169 O ASN A 12 0.898 9.934 -8.960 1.00 0.00 O ATOM 170 CB ASN A 12 2.681 9.709 -6.611 1.00 0.00 C ATOM 171 CG ASN A 12 3.654 8.843 -5.809 1.00 0.00 C ATOM 172 OD1 ASN A 12 3.399 7.686 -5.515 1.00 0.00 O ATOM 173 ND2 ASN A 12 4.781 9.464 -5.474 1.00 0.00 N ATOM 0 H ASN A 12 2.270 7.545 -7.980 1.00 0.00 H new ATOM 0 HA ASN A 12 0.829 8.935 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.110 9.937 -7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.528 10.660 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.496 8.971 -4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.931 10.434 -5.752 1.00 0.00 H new ATOM 180 N ASN A 13 -0.612 10.314 -7.320 1.00 0.00 N ATOM 181 CA ASN A 13 -1.496 11.100 -8.164 1.00 0.00 C ATOM 182 C ASN A 13 -0.968 12.533 -8.254 1.00 0.00 C ATOM 183 O ASN A 13 -1.382 13.298 -9.124 1.00 0.00 O ATOM 184 CB ASN A 13 -2.909 11.154 -7.582 1.00 0.00 C ATOM 185 CG ASN A 13 -3.900 10.407 -8.477 1.00 0.00 C ATOM 186 OD1 ASN A 13 -4.390 10.922 -9.468 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.166 9.168 -8.074 1.00 0.00 N ATOM 0 H ASN A 13 -0.931 10.200 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.528 10.630 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.912 10.715 -6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.222 12.192 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.815 8.587 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.721 8.798 -7.234 1.00 0.00 H new ATOM 194 N SER A 14 -0.061 12.854 -7.343 1.00 0.00 N ATOM 195 CA SER A 14 0.528 14.182 -7.309 1.00 0.00 C ATOM 196 C SER A 14 1.685 14.268 -8.307 1.00 0.00 C ATOM 197 O SER A 14 1.889 15.304 -8.938 1.00 0.00 O ATOM 198 CB SER A 14 1.015 14.533 -5.901 1.00 0.00 C ATOM 199 OG SER A 14 2.437 14.505 -5.806 1.00 0.00 O ATOM 0 H SER A 14 0.280 12.217 -6.623 1.00 0.00 H new ATOM 0 HA SER A 14 -0.240 14.903 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.653 15.524 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.590 13.830 -5.184 1.00 0.00 H new ATOM 0 HG SER A 14 2.708 14.736 -4.893 1.00 0.00 H new ATOM 205 N ASN A 15 2.410 13.165 -8.419 1.00 0.00 N ATOM 206 CA ASN A 15 3.540 13.102 -9.329 1.00 0.00 C ATOM 207 C ASN A 15 3.209 12.152 -10.483 1.00 0.00 C ATOM 208 O ASN A 15 3.970 12.047 -11.443 1.00 0.00 O ATOM 209 CB ASN A 15 4.789 12.569 -8.623 1.00 0.00 C ATOM 210 CG ASN A 15 6.019 13.409 -8.974 1.00 0.00 C ATOM 211 OD1 ASN A 15 5.984 14.628 -8.999 1.00 0.00 O ATOM 212 ND2 ASN A 15 7.105 12.690 -9.245 1.00 0.00 N ATOM 0 H ASN A 15 2.237 12.308 -7.894 1.00 0.00 H new ATOM 0 HA ASN A 15 3.734 14.111 -9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.633 12.579 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.959 11.531 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.977 13.157 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.065 11.672 -9.206 1.00 0.00 H new ATOM 219 N GLY A 16 2.072 11.487 -10.349 1.00 0.00 N ATOM 220 CA GLY A 16 1.630 10.549 -11.368 1.00 0.00 C ATOM 221 C GLY A 16 2.641 9.415 -11.545 1.00 0.00 C ATOM 222 O GLY A 16 2.691 8.782 -12.599 1.00 0.00 O ATOM 0 H GLY A 16 1.443 11.578 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.660 10.136 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.495 11.072 -12.315 1.00 0.00 H new ATOM 226 N VAL A 17 3.421 9.192 -10.498 1.00 0.00 N ATOM 227 CA VAL A 17 4.427 8.144 -10.524 1.00 0.00 C ATOM 228 C VAL A 17 3.815 6.841 -10.006 1.00 0.00 C ATOM 229 O VAL A 17 3.352 6.779 -8.869 1.00 0.00 O ATOM 230 CB VAL A 17 5.660 8.583 -9.731 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.515 7.378 -9.335 1.00 0.00 C ATOM 232 CG2 VAL A 17 6.484 9.605 -10.519 1.00 0.00 C ATOM 0 H VAL A 17 3.377 9.719 -9.626 1.00 0.00 H new ATOM 0 HA VAL A 17 4.762 7.961 -11.545 1.00 0.00 H new ATOM 0 HB VAL A 17 5.315 9.064 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.385 7.718 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.925 6.701 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.845 6.855 -10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.354 9.900 -9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.813 9.161 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.872 10.483 -10.727 1.00 0.00 H new ATOM 242 N SER A 18 3.834 5.833 -10.865 1.00 0.00 N ATOM 243 CA SER A 18 3.288 4.535 -10.508 1.00 0.00 C ATOM 244 C SER A 18 4.420 3.564 -10.171 1.00 0.00 C ATOM 245 O SER A 18 5.494 3.627 -10.768 1.00 0.00 O ATOM 246 CB SER A 18 2.424 3.971 -11.638 1.00 0.00 C ATOM 247 OG SER A 18 2.548 4.734 -12.836 1.00 0.00 O ATOM 0 H SER A 18 4.219 5.889 -11.808 1.00 0.00 H new ATOM 0 HA SER A 18 2.654 4.662 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.712 2.938 -11.834 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.380 3.956 -11.324 1.00 0.00 H new ATOM 0 HG SER A 18 1.983 4.341 -13.534 1.00 0.00 H new ATOM 253 N VAL A 19 4.142 2.688 -9.217 1.00 0.00 N ATOM 254 CA VAL A 19 5.125 1.705 -8.794 1.00 0.00 C ATOM 255 C VAL A 19 4.403 0.472 -8.245 1.00 0.00 C ATOM 256 O VAL A 19 3.586 0.583 -7.333 1.00 0.00 O ATOM 257 CB VAL A 19 6.090 2.331 -7.786 1.00 0.00 C ATOM 258 CG1 VAL A 19 6.725 1.259 -6.896 1.00 0.00 C ATOM 259 CG2 VAL A 19 7.162 3.160 -8.495 1.00 0.00 C ATOM 0 H VAL A 19 3.250 2.638 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 19 5.728 1.378 -9.641 1.00 0.00 H new ATOM 0 HB VAL A 19 5.517 3.002 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.407 1.731 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.944 0.730 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.277 0.552 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.835 3.594 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.729 2.520 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.687 3.958 -9.065 1.00 0.00 H new ATOM 269 N ASP A 20 4.732 -0.673 -8.824 1.00 0.00 N ATOM 270 CA ASP A 20 4.126 -1.925 -8.404 1.00 0.00 C ATOM 271 C ASP A 20 5.216 -2.868 -7.891 1.00 0.00 C ATOM 272 O ASP A 20 6.330 -2.876 -8.412 1.00 0.00 O ATOM 273 CB ASP A 20 3.416 -2.612 -9.572 1.00 0.00 C ATOM 274 CG ASP A 20 3.198 -1.733 -10.804 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.996 -0.515 -10.605 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.238 -2.296 -11.920 1.00 0.00 O ATOM 0 H ASP A 20 5.410 -0.760 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 20 3.400 -1.703 -7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.996 -3.486 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.448 -2.974 -9.227 1.00 0.00 H new ATOM 281 N TYR A 21 4.856 -3.640 -6.876 1.00 0.00 N ATOM 282 CA TYR A 21 5.791 -4.585 -6.287 1.00 0.00 C ATOM 283 C TYR A 21 5.087 -5.893 -5.919 1.00 0.00 C ATOM 284 O TYR A 21 4.064 -5.881 -5.237 1.00 0.00 O ATOM 285 CB TYR A 21 6.312 -3.922 -5.011 1.00 0.00 C ATOM 286 CG TYR A 21 7.693 -3.281 -5.163 1.00 0.00 C ATOM 287 CD1 TYR A 21 8.688 -3.941 -5.854 1.00 0.00 C ATOM 288 CD2 TYR A 21 7.942 -2.041 -4.609 1.00 0.00 C ATOM 289 CE1 TYR A 21 9.988 -3.336 -5.996 1.00 0.00 C ATOM 290 CE2 TYR A 21 9.242 -1.437 -4.751 1.00 0.00 C ATOM 291 CZ TYR A 21 10.200 -2.114 -5.438 1.00 0.00 C ATOM 292 OH TYR A 21 11.427 -1.544 -5.574 1.00 0.00 O ATOM 0 H TYR A 21 3.931 -3.631 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 21 6.590 -4.825 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.601 -3.159 -4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.354 -4.668 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.493 -4.910 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.162 -1.524 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.776 -3.842 -6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.451 -0.468 -4.321 1.00 0.00 H new ATOM 0 HH TYR A 21 11.834 -1.841 -6.414 1.00 0.00 H new ATOM 302 N GLU A 22 5.665 -6.990 -6.385 1.00 0.00 N ATOM 303 CA GLU A 22 5.107 -8.303 -6.113 1.00 0.00 C ATOM 304 C GLU A 22 5.835 -8.956 -4.936 1.00 0.00 C ATOM 305 O GLU A 22 7.017 -9.279 -5.035 1.00 0.00 O ATOM 306 CB GLU A 22 5.166 -9.193 -7.356 1.00 0.00 C ATOM 307 CG GLU A 22 4.724 -10.621 -7.030 1.00 0.00 C ATOM 308 CD GLU A 22 5.146 -11.592 -8.135 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.372 -11.787 -8.281 1.00 0.00 O ATOM 310 OE2 GLU A 22 4.234 -12.116 -8.808 1.00 0.00 O ATOM 0 H GLU A 22 6.515 -6.996 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 22 4.058 -8.181 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.525 -8.779 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.182 -9.204 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.160 -10.933 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.641 -10.651 -6.908 1.00 0.00 H new ATOM 317 N THR A 23 5.099 -9.130 -3.848 1.00 0.00 N ATOM 318 CA THR A 23 5.660 -9.738 -2.654 1.00 0.00 C ATOM 319 C THR A 23 4.673 -10.740 -2.052 1.00 0.00 C ATOM 320 O THR A 23 3.503 -10.419 -1.848 1.00 0.00 O ATOM 321 CB THR A 23 6.048 -8.615 -1.690 1.00 0.00 C ATOM 322 OG1 THR A 23 6.898 -9.253 -0.741 1.00 0.00 O ATOM 323 CG2 THR A 23 4.864 -8.121 -0.858 1.00 0.00 C ATOM 0 H THR A 23 4.119 -8.860 -3.769 1.00 0.00 H new ATOM 0 HA THR A 23 6.557 -10.312 -2.886 1.00 0.00 H new ATOM 0 HB THR A 23 6.467 -7.781 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.198 -8.597 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.195 -7.325 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.087 -7.740 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.465 -8.946 -0.268 1.00 0.00 H new ATOM 331 N GLU A 24 5.181 -11.935 -1.785 1.00 0.00 N ATOM 332 CA GLU A 24 4.359 -12.987 -1.211 1.00 0.00 C ATOM 333 C GLU A 24 4.396 -12.914 0.316 1.00 0.00 C ATOM 334 O GLU A 24 5.311 -13.444 0.944 1.00 0.00 O ATOM 335 CB GLU A 24 4.806 -14.364 -1.706 1.00 0.00 C ATOM 336 CG GLU A 24 4.341 -15.466 -0.753 1.00 0.00 C ATOM 337 CD GLU A 24 5.477 -15.904 0.175 1.00 0.00 C ATOM 338 OE1 GLU A 24 6.628 -15.933 -0.312 1.00 0.00 O ATOM 339 OE2 GLU A 24 5.168 -16.199 1.350 1.00 0.00 O ATOM 0 H GLU A 24 6.152 -12.198 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 24 3.330 -12.837 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.402 -14.545 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.892 -14.388 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.500 -15.108 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.985 -16.322 -1.327 1.00 0.00 H new ATOM 346 N THR A 25 3.390 -12.254 0.871 1.00 0.00 N ATOM 347 CA THR A 25 3.296 -12.106 2.313 1.00 0.00 C ATOM 348 C THR A 25 1.875 -12.414 2.789 1.00 0.00 C ATOM 349 O THR A 25 0.941 -11.670 2.491 1.00 0.00 O ATOM 350 CB THR A 25 3.766 -10.697 2.675 1.00 0.00 C ATOM 351 OG1 THR A 25 3.206 -9.871 1.658 1.00 0.00 O ATOM 352 CG2 THR A 25 5.277 -10.522 2.506 1.00 0.00 C ATOM 0 H THR A 25 2.632 -11.815 0.347 1.00 0.00 H new ATOM 0 HA THR A 25 3.939 -12.820 2.827 1.00 0.00 H new ATOM 0 HB THR A 25 3.487 -10.476 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.460 -8.938 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.558 -9.504 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.800 -11.226 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.551 -10.711 1.468 1.00 0.00 H new ATOM 360 N PRO A 26 1.752 -13.539 3.543 1.00 0.00 N ATOM 361 CA PRO A 26 0.460 -13.954 4.063 1.00 0.00 C ATOM 362 C PRO A 26 0.038 -13.078 5.243 1.00 0.00 C ATOM 363 O PRO A 26 -0.677 -12.092 5.065 1.00 0.00 O ATOM 364 CB PRO A 26 0.640 -15.416 4.443 1.00 0.00 C ATOM 365 CG PRO A 26 2.140 -15.635 4.556 1.00 0.00 C ATOM 366 CD PRO A 26 2.835 -14.444 3.916 1.00 0.00 C ATOM 0 HA PRO A 26 -0.343 -13.841 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.141 -15.639 5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.205 -16.072 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.434 -15.732 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.429 -16.560 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.527 -13.968 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.416 -14.746 3.045 1.00 0.00 H new ATOM 374 N MET A 27 0.497 -13.468 6.424 1.00 0.00 N ATOM 375 CA MET A 27 0.175 -12.730 7.633 1.00 0.00 C ATOM 376 C MET A 27 0.952 -11.413 7.694 1.00 0.00 C ATOM 377 O MET A 27 0.493 -10.445 8.298 1.00 0.00 O ATOM 378 CB MET A 27 0.516 -13.582 8.857 1.00 0.00 C ATOM 379 CG MET A 27 -0.010 -15.008 8.696 1.00 0.00 C ATOM 380 SD MET A 27 1.147 -16.170 9.401 1.00 0.00 S ATOM 381 CE MET A 27 2.631 -15.696 8.531 1.00 0.00 C ATOM 0 H MET A 27 1.089 -14.286 6.569 1.00 0.00 H new ATOM 0 HA MET A 27 -0.891 -12.501 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.596 -13.603 9.000 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.085 -13.130 9.750 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.979 -15.104 9.186 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.163 -15.231 7.640 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.158 -16.590 8.196 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.367 -15.085 7.667 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.276 -15.123 9.197 1.00 0.00 H new ATOM 391 N THR A 28 2.116 -11.419 7.061 1.00 0.00 N ATOM 392 CA THR A 28 2.961 -10.237 7.037 1.00 0.00 C ATOM 393 C THR A 28 2.157 -9.016 6.585 1.00 0.00 C ATOM 394 O THR A 28 2.396 -7.904 7.053 1.00 0.00 O ATOM 395 CB THR A 28 4.165 -10.536 6.142 1.00 0.00 C ATOM 396 OG1 THR A 28 3.790 -11.716 5.437 1.00 0.00 O ATOM 397 CG2 THR A 28 5.399 -10.957 6.942 1.00 0.00 C ATOM 0 H THR A 28 2.494 -12.224 6.561 1.00 0.00 H new ATOM 0 HA THR A 28 3.330 -9.994 8.033 1.00 0.00 H new ATOM 0 HB THR A 28 4.402 -9.654 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.566 -12.069 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.224 -11.157 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.680 -10.156 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.173 -11.858 7.512 1.00 0.00 H new ATOM 405 N LEU A 29 1.218 -9.265 5.683 1.00 0.00 N ATOM 406 CA LEU A 29 0.378 -8.200 5.164 1.00 0.00 C ATOM 407 C LEU A 29 -0.289 -7.468 6.331 1.00 0.00 C ATOM 408 O LEU A 29 -0.471 -6.253 6.283 1.00 0.00 O ATOM 409 CB LEU A 29 -0.613 -8.752 4.137 1.00 0.00 C ATOM 410 CG LEU A 29 -0.049 -9.025 2.740 1.00 0.00 C ATOM 411 CD1 LEU A 29 -0.948 -9.989 1.965 1.00 0.00 C ATOM 412 CD2 LEU A 29 0.181 -7.718 1.978 1.00 0.00 C ATOM 0 H LEU A 29 1.021 -10.189 5.299 1.00 0.00 H new ATOM 0 HA LEU A 29 0.980 -7.466 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.030 -9.681 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.439 -8.047 4.042 1.00 0.00 H new ATOM 0 HG LEU A 29 0.921 -9.509 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.525 -10.166 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.018 -10.934 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.943 -9.555 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.582 -7.939 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.764 -7.185 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.890 -7.097 2.526 1.00 0.00 H new ATOM 424 N LEU A 30 -0.636 -8.240 7.350 1.00 0.00 N ATOM 425 CA LEU A 30 -1.279 -7.680 8.527 1.00 0.00 C ATOM 426 C LEU A 30 -0.218 -7.052 9.432 1.00 0.00 C ATOM 427 O LEU A 30 -0.514 -6.137 10.200 1.00 0.00 O ATOM 428 CB LEU A 30 -2.134 -8.740 9.226 1.00 0.00 C ATOM 429 CG LEU A 30 -2.995 -9.616 8.313 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.787 -10.642 9.125 1.00 0.00 C ATOM 431 CD2 LEU A 30 -3.903 -8.760 7.428 1.00 0.00 C ATOM 0 H LEU A 30 -0.484 -9.248 7.385 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.968 -6.884 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.474 -9.389 9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.789 -8.238 9.938 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.332 -10.173 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.390 -11.251 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.097 -11.283 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.439 -10.124 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.504 -9.407 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.560 -8.158 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.293 -8.104 6.808 1.00 0.00 H new ATOM 443 N VAL A 31 0.997 -7.568 9.314 1.00 0.00 N ATOM 444 CA VAL A 31 2.103 -7.069 10.112 1.00 0.00 C ATOM 445 C VAL A 31 2.364 -5.604 9.757 1.00 0.00 C ATOM 446 O VAL A 31 2.347 -5.234 8.584 1.00 0.00 O ATOM 447 CB VAL A 31 3.333 -7.959 9.917 1.00 0.00 C ATOM 448 CG1 VAL A 31 4.533 -7.414 10.693 1.00 0.00 C ATOM 449 CG2 VAL A 31 3.031 -9.405 10.316 1.00 0.00 C ATOM 0 H VAL A 31 1.239 -8.327 8.677 1.00 0.00 H new ATOM 0 HA VAL A 31 1.855 -7.107 11.173 1.00 0.00 H new ATOM 0 HB VAL A 31 3.589 -7.950 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.393 -8.065 10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.769 -6.410 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.293 -7.378 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.921 -10.017 10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.737 -9.439 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.219 -9.791 9.699 1.00 0.00 H new ATOM 459 N PRO A 32 2.604 -4.788 10.818 1.00 0.00 N ATOM 460 CA PRO A 32 2.866 -3.371 10.629 1.00 0.00 C ATOM 461 C PRO A 32 4.279 -3.144 10.090 1.00 0.00 C ATOM 462 O PRO A 32 4.481 -2.331 9.189 1.00 0.00 O ATOM 463 CB PRO A 32 2.643 -2.744 11.995 1.00 0.00 C ATOM 464 CG PRO A 32 2.718 -3.887 12.996 1.00 0.00 C ATOM 465 CD PRO A 32 2.630 -5.192 12.221 1.00 0.00 C ATOM 0 HA PRO A 32 2.211 -2.917 9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.400 -1.989 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.675 -2.246 12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.650 -3.840 13.560 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.904 -3.816 13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.484 -5.836 12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.734 -5.752 12.489 1.00 0.00 H new ATOM 473 N GLU A 33 5.223 -3.875 10.665 1.00 0.00 N ATOM 474 CA GLU A 33 6.612 -3.763 10.255 1.00 0.00 C ATOM 475 C GLU A 33 6.754 -4.090 8.767 1.00 0.00 C ATOM 476 O GLU A 33 7.444 -3.384 8.034 1.00 0.00 O ATOM 477 CB GLU A 33 7.510 -4.666 11.102 1.00 0.00 C ATOM 478 CG GLU A 33 7.112 -4.604 12.579 1.00 0.00 C ATOM 479 CD GLU A 33 8.328 -4.819 13.483 1.00 0.00 C ATOM 480 OE1 GLU A 33 9.218 -3.942 13.455 1.00 0.00 O ATOM 481 OE2 GLU A 33 8.338 -5.855 14.182 1.00 0.00 O ATOM 0 H GLU A 33 5.052 -4.548 11.412 1.00 0.00 H new ATOM 0 HA GLU A 33 6.935 -2.734 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.439 -5.694 10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.550 -4.360 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.658 -3.637 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.359 -5.364 12.789 1.00 0.00 H new ATOM 488 N VAL A 34 6.087 -5.163 8.364 1.00 0.00 N ATOM 489 CA VAL A 34 6.131 -5.593 6.976 1.00 0.00 C ATOM 490 C VAL A 34 5.319 -4.618 6.119 1.00 0.00 C ATOM 491 O VAL A 34 5.764 -4.210 5.048 1.00 0.00 O ATOM 492 CB VAL A 34 5.643 -7.039 6.861 1.00 0.00 C ATOM 493 CG1 VAL A 34 5.534 -7.465 5.396 1.00 0.00 C ATOM 494 CG2 VAL A 34 6.554 -7.988 7.643 1.00 0.00 C ATOM 0 H VAL A 34 5.514 -5.746 8.974 1.00 0.00 H new ATOM 0 HA VAL A 34 7.155 -5.579 6.603 1.00 0.00 H new ATOM 0 HB VAL A 34 4.647 -7.094 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.185 -8.496 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.827 -6.815 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.512 -7.387 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.185 -9.009 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.568 -7.928 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.559 -7.703 8.695 1.00 0.00 H new ATOM 504 N ALA A 35 4.144 -4.274 6.624 1.00 0.00 N ATOM 505 CA ALA A 35 3.266 -3.356 5.919 1.00 0.00 C ATOM 506 C ALA A 35 3.958 -1.997 5.786 1.00 0.00 C ATOM 507 O ALA A 35 3.994 -1.418 4.702 1.00 0.00 O ATOM 508 CB ALA A 35 1.929 -3.259 6.655 1.00 0.00 C ATOM 0 H ALA A 35 3.779 -4.615 7.514 1.00 0.00 H new ATOM 0 HA ALA A 35 3.058 -3.721 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.271 -2.570 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.465 -4.244 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.097 -2.894 7.668 1.00 0.00 H new ATOM 514 N ALA A 36 4.491 -1.529 6.904 1.00 0.00 N ATOM 515 CA ALA A 36 5.179 -0.249 6.927 1.00 0.00 C ATOM 516 C ALA A 36 6.340 -0.282 5.929 1.00 0.00 C ATOM 517 O ALA A 36 6.491 0.632 5.119 1.00 0.00 O ATOM 518 CB ALA A 36 5.646 0.056 8.352 1.00 0.00 C ATOM 0 H ALA A 36 4.461 -2.013 7.801 1.00 0.00 H new ATOM 0 HA ALA A 36 4.506 0.553 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.162 1.016 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.783 0.096 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.326 -0.727 8.687 1.00 0.00 H new ATOM 524 N GLU A 37 7.126 -1.343 6.019 1.00 0.00 N ATOM 525 CA GLU A 37 8.267 -1.507 5.135 1.00 0.00 C ATOM 526 C GLU A 37 7.803 -1.589 3.679 1.00 0.00 C ATOM 527 O GLU A 37 8.486 -1.104 2.777 1.00 0.00 O ATOM 528 CB GLU A 37 9.088 -2.739 5.519 1.00 0.00 C ATOM 529 CG GLU A 37 10.225 -2.367 6.472 1.00 0.00 C ATOM 530 CD GLU A 37 11.576 -2.831 5.922 1.00 0.00 C ATOM 531 OE1 GLU A 37 11.762 -4.064 5.842 1.00 0.00 O ATOM 532 OE2 GLU A 37 12.391 -1.942 5.594 1.00 0.00 O ATOM 0 H GLU A 37 6.996 -2.099 6.691 1.00 0.00 H new ATOM 0 HA GLU A 37 8.912 -0.635 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.441 -3.479 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.498 -3.201 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.241 -1.287 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.050 -2.821 7.447 1.00 0.00 H new ATOM 539 N VAL A 38 6.646 -2.206 3.495 1.00 0.00 N ATOM 540 CA VAL A 38 6.082 -2.359 2.165 1.00 0.00 C ATOM 541 C VAL A 38 5.652 -0.988 1.638 1.00 0.00 C ATOM 542 O VAL A 38 6.035 -0.594 0.538 1.00 0.00 O ATOM 543 CB VAL A 38 4.937 -3.374 2.194 1.00 0.00 C ATOM 544 CG1 VAL A 38 3.753 -2.888 1.357 1.00 0.00 C ATOM 545 CG2 VAL A 38 5.413 -4.751 1.726 1.00 0.00 C ATOM 0 H VAL A 38 6.083 -2.606 4.245 1.00 0.00 H new ATOM 0 HA VAL A 38 6.830 -2.753 1.477 1.00 0.00 H new ATOM 0 HB VAL A 38 4.600 -3.470 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.953 -3.627 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.390 -1.941 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.071 -2.749 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.580 -5.454 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.790 -4.678 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.209 -5.103 2.382 1.00 0.00 H new ATOM 555 N ILE A 39 4.862 -0.299 2.448 1.00 0.00 N ATOM 556 CA ILE A 39 4.375 1.018 2.077 1.00 0.00 C ATOM 557 C ILE A 39 5.566 1.952 1.853 1.00 0.00 C ATOM 558 O ILE A 39 5.656 2.611 0.818 1.00 0.00 O ATOM 559 CB ILE A 39 3.378 1.534 3.117 1.00 0.00 C ATOM 560 CG1 ILE A 39 2.140 0.636 3.181 1.00 0.00 C ATOM 561 CG2 ILE A 39 3.012 2.995 2.849 1.00 0.00 C ATOM 562 CD1 ILE A 39 1.516 0.462 1.795 1.00 0.00 C ATOM 0 H ILE A 39 4.547 -0.629 3.360 1.00 0.00 H new ATOM 0 HA ILE A 39 3.824 0.969 1.138 1.00 0.00 H new ATOM 0 HB ILE A 39 3.856 1.496 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.414 -0.339 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.407 1.069 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.302 3.336 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.911 3.609 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.561 3.082 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.638 -0.180 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.221 1.436 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.243 0.006 1.123 1.00 0.00 H new ATOM 574 N LYS A 40 6.451 1.977 2.838 1.00 0.00 N ATOM 575 CA LYS A 40 7.634 2.819 2.761 1.00 0.00 C ATOM 576 C LYS A 40 8.492 2.378 1.574 1.00 0.00 C ATOM 577 O LYS A 40 9.012 3.213 0.836 1.00 0.00 O ATOM 578 CB LYS A 40 8.381 2.816 4.096 1.00 0.00 C ATOM 579 CG LYS A 40 9.895 2.821 3.876 1.00 0.00 C ATOM 580 CD LYS A 40 10.466 1.404 3.964 1.00 0.00 C ATOM 581 CE LYS A 40 11.940 1.379 3.551 1.00 0.00 C ATOM 582 NZ LYS A 40 12.193 0.275 2.600 1.00 0.00 N ATOM 0 H LYS A 40 6.373 1.428 3.694 1.00 0.00 H new ATOM 0 HA LYS A 40 7.353 3.857 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.092 3.689 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.097 1.937 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.123 3.249 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.372 3.456 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.364 1.030 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.893 0.737 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.212 2.330 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.569 1.258 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.088 -0.195 2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.415 -0.413 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.254 0.656 1.634 1.00 0.00 H new ATOM 596 N ASP A 41 8.613 1.067 1.427 1.00 0.00 N ATOM 597 CA ASP A 41 9.399 0.505 0.343 1.00 0.00 C ATOM 598 C ASP A 41 8.834 0.987 -0.994 1.00 0.00 C ATOM 599 O ASP A 41 9.586 1.380 -1.885 1.00 0.00 O ATOM 600 CB ASP A 41 9.343 -1.024 0.357 1.00 0.00 C ATOM 601 CG ASP A 41 9.835 -1.701 -0.924 1.00 0.00 C ATOM 602 OD1 ASP A 41 10.586 -1.031 -1.667 1.00 0.00 O ATOM 603 OD2 ASP A 41 9.450 -2.871 -1.132 1.00 0.00 O ATOM 0 H ASP A 41 8.179 0.378 2.041 1.00 0.00 H new ATOM 0 HA ASP A 41 10.432 0.829 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.940 -1.387 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.314 -1.333 0.541 1.00 0.00 H new ATOM 608 N LEU A 42 7.514 0.941 -1.093 1.00 0.00 N ATOM 609 CA LEU A 42 6.839 1.369 -2.306 1.00 0.00 C ATOM 610 C LEU A 42 7.168 2.838 -2.578 1.00 0.00 C ATOM 611 O LEU A 42 7.599 3.190 -3.675 1.00 0.00 O ATOM 612 CB LEU A 42 5.339 1.082 -2.216 1.00 0.00 C ATOM 613 CG LEU A 42 4.897 -0.318 -2.648 1.00 0.00 C ATOM 614 CD1 LEU A 42 3.945 -0.934 -1.621 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.288 -0.292 -4.051 1.00 0.00 C ATOM 0 H LEU A 42 6.894 0.614 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 42 7.198 0.798 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.020 1.240 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.812 1.813 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 42 5.779 -0.956 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.646 -1.928 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.448 -1.009 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.061 -0.304 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.982 -1.299 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.419 0.366 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.028 0.076 -4.762 1.00 0.00 H new ATOM 627 N VAL A 43 6.951 3.657 -1.559 1.00 0.00 N ATOM 628 CA VAL A 43 7.220 5.081 -1.673 1.00 0.00 C ATOM 629 C VAL A 43 8.716 5.297 -1.903 1.00 0.00 C ATOM 630 O VAL A 43 9.108 6.099 -2.750 1.00 0.00 O ATOM 631 CB VAL A 43 6.693 5.813 -0.438 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.599 6.991 -0.070 1.00 0.00 C ATOM 633 CG2 VAL A 43 5.250 6.277 -0.648 1.00 0.00 C ATOM 0 H VAL A 43 6.592 3.362 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 43 6.696 5.501 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 43 6.701 5.110 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.202 7.494 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.603 6.625 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.638 7.694 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.900 6.794 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.206 6.955 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.614 5.413 -0.839 1.00 0.00 H new ATOM 643 N ASN A 44 9.513 4.568 -1.135 1.00 0.00 N ATOM 644 CA ASN A 44 10.958 4.669 -1.245 1.00 0.00 C ATOM 645 C ASN A 44 11.376 4.385 -2.690 1.00 0.00 C ATOM 646 O ASN A 44 12.303 5.007 -3.204 1.00 0.00 O ATOM 647 CB ASN A 44 11.651 3.647 -0.342 1.00 0.00 C ATOM 648 CG ASN A 44 12.190 4.313 0.926 1.00 0.00 C ATOM 649 OD1 ASN A 44 11.251 4.870 1.685 1.00 0.00 O flip ATOM 650 ND2 ASN A 44 13.380 4.320 1.197 1.00 0.00 N flip ATOM 0 H ASN A 44 9.185 3.904 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 44 11.251 5.674 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.948 2.859 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.469 3.173 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.049 3.873 0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.706 4.773 2.051 1.00 0.00 H new ATOM 657 N THR A 45 10.672 3.443 -3.301 1.00 0.00 N ATOM 658 CA THR A 45 10.959 3.070 -4.676 1.00 0.00 C ATOM 659 C THR A 45 10.454 4.145 -5.639 1.00 0.00 C ATOM 660 O THR A 45 11.120 4.466 -6.621 1.00 0.00 O ATOM 661 CB THR A 45 10.345 1.691 -4.929 1.00 0.00 C ATOM 662 OG1 THR A 45 11.271 0.784 -4.337 1.00 0.00 O ATOM 663 CG2 THR A 45 10.347 1.312 -6.411 1.00 0.00 C ATOM 0 H THR A 45 9.905 2.928 -2.870 1.00 0.00 H new ATOM 0 HA THR A 45 12.033 3.002 -4.851 1.00 0.00 H new ATOM 0 HB THR A 45 9.322 1.675 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.084 -0.125 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.901 0.325 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.770 2.045 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.372 1.296 -6.781 1.00 0.00 H new ATOM 925 N LYS B 203 -3.394 17.854 -7.347 1.00 0.00 N ATOM 926 CA LYS B 203 -3.700 17.409 -5.998 1.00 0.00 C ATOM 927 C LYS B 203 -2.672 16.362 -5.566 1.00 0.00 C ATOM 928 O LYS B 203 -2.067 15.696 -6.406 1.00 0.00 O ATOM 929 CB LYS B 203 -5.148 16.922 -5.910 1.00 0.00 C ATOM 930 CG LYS B 203 -5.752 17.245 -4.542 1.00 0.00 C ATOM 931 CD LYS B 203 -7.281 17.268 -4.609 1.00 0.00 C ATOM 932 CE LYS B 203 -7.799 18.695 -4.797 1.00 0.00 C ATOM 933 NZ LYS B 203 -9.274 18.697 -4.924 1.00 0.00 N ATOM 0 HA LYS B 203 -3.624 18.240 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -5.742 17.392 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS B 203 -5.185 15.847 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -5.428 16.503 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -5.385 18.212 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -7.622 16.642 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -7.695 16.844 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -7.500 19.312 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -7.351 19.137 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -9.610 19.673 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -9.552 18.125 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -9.697 18.294 -4.063 1.00 0.00 H new ATOM 947 N ALA B 204 -2.504 16.248 -4.256 1.00 0.00 N ATOM 948 CA ALA B 204 -1.559 15.293 -3.702 1.00 0.00 C ATOM 949 C ALA B 204 -2.322 14.079 -3.170 1.00 0.00 C ATOM 950 O ALA B 204 -2.992 14.164 -2.142 1.00 0.00 O ATOM 951 CB ALA B 204 -0.719 15.975 -2.620 1.00 0.00 C ATOM 0 H ALA B 204 -3.007 16.802 -3.562 1.00 0.00 H new ATOM 0 HA ALA B 204 -0.873 14.940 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA B 204 -0.010 15.259 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA B 204 -0.175 16.813 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA B 204 -1.373 16.340 -1.828 1.00 0.00 H new ATOM 957 N THR B 205 -2.194 12.976 -3.894 1.00 0.00 N ATOM 958 CA THR B 205 -2.862 11.745 -3.507 1.00 0.00 C ATOM 959 C THR B 205 -2.026 10.532 -3.919 1.00 0.00 C ATOM 960 O THR B 205 -1.080 10.660 -4.694 1.00 0.00 O ATOM 961 CB THR B 205 -4.263 11.755 -4.124 1.00 0.00 C ATOM 962 OG1 THR B 205 -4.050 12.193 -5.463 1.00 0.00 O ATOM 963 CG2 THR B 205 -5.162 12.833 -3.518 1.00 0.00 C ATOM 0 H THR B 205 -1.638 12.910 -4.746 1.00 0.00 H new ATOM 0 HA THR B 205 -2.967 11.675 -2.424 1.00 0.00 H new ATOM 0 HB THR B 205 -4.726 10.778 -3.988 1.00 0.00 H new ATOM 0 HG1 THR B 205 -4.907 12.227 -5.936 1.00 0.00 H new ATOM 0 HG21 THR B 205 -6.143 12.796 -3.991 1.00 0.00 H new ATOM 0 HG22 THR B 205 -5.268 12.658 -2.447 1.00 0.00 H new ATOM 0 HG23 THR B 205 -4.716 13.814 -3.683 1.00 0.00 H new ATOM 971 N TYR B 206 -2.404 9.383 -3.380 1.00 0.00 N ATOM 972 CA TYR B 206 -1.701 8.148 -3.681 1.00 0.00 C ATOM 973 C TYR B 206 -2.685 7.000 -3.920 1.00 0.00 C ATOM 974 O TYR B 206 -3.722 6.920 -3.265 1.00 0.00 O ATOM 975 CB TYR B 206 -0.858 7.830 -2.444 1.00 0.00 C ATOM 976 CG TYR B 206 0.607 8.256 -2.562 1.00 0.00 C ATOM 977 CD1 TYR B 206 0.957 9.579 -2.388 1.00 0.00 C ATOM 978 CD2 TYR B 206 1.577 7.316 -2.845 1.00 0.00 C ATOM 979 CE1 TYR B 206 2.336 9.980 -2.500 1.00 0.00 C ATOM 980 CE2 TYR B 206 2.956 7.718 -2.957 1.00 0.00 C ATOM 981 CZ TYR B 206 3.268 9.029 -2.779 1.00 0.00 C ATOM 982 OH TYR B 206 4.569 9.408 -2.885 1.00 0.00 O ATOM 0 H TYR B 206 -3.189 9.281 -2.736 1.00 0.00 H new ATOM 0 HA TYR B 206 -1.097 8.261 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR B 206 -1.301 8.324 -1.579 1.00 0.00 H new ATOM 0 HB3 TYR B 206 -0.900 6.757 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR B 206 0.197 10.314 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR B 206 1.303 6.280 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR B 206 2.624 11.012 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR B 206 3.726 6.993 -3.178 1.00 0.00 H new ATOM 0 HH TYR B 206 5.075 9.059 -2.121 1.00 0.00 H new ATOM 992 N THR B 207 -2.324 6.141 -4.863 1.00 0.00 N ATOM 993 CA THR B 207 -3.162 5.002 -5.197 1.00 0.00 C ATOM 994 C THR B 207 -2.482 3.698 -4.776 1.00 0.00 C ATOM 995 O THR B 207 -1.510 3.272 -5.399 1.00 0.00 O ATOM 996 CB THR B 207 -3.476 5.069 -6.693 1.00 0.00 C ATOM 997 OG1 THR B 207 -3.684 6.456 -6.942 1.00 0.00 O ATOM 998 CG2 THR B 207 -4.819 4.424 -7.039 1.00 0.00 C ATOM 0 H THR B 207 -1.463 6.211 -5.406 1.00 0.00 H new ATOM 0 HA THR B 207 -4.105 5.031 -4.651 1.00 0.00 H new ATOM 0 HB THR B 207 -2.681 4.576 -7.253 1.00 0.00 H new ATOM 0 HG1 THR B 207 -3.813 6.600 -7.903 1.00 0.00 H new ATOM 0 HG21 THR B 207 -4.993 4.499 -8.112 1.00 0.00 H new ATOM 0 HG22 THR B 207 -4.805 3.374 -6.746 1.00 0.00 H new ATOM 0 HG23 THR B 207 -5.618 4.939 -6.505 1.00 0.00 H new ATOM 1006 N VAL B 208 -3.021 3.100 -3.724 1.00 0.00 N ATOM 1007 CA VAL B 208 -2.477 1.853 -3.213 1.00 0.00 C ATOM 1008 C VAL B 208 -3.415 0.702 -3.586 1.00 0.00 C ATOM 1009 O VAL B 208 -4.578 0.691 -3.185 1.00 0.00 O ATOM 1010 CB VAL B 208 -2.238 1.964 -1.706 1.00 0.00 C ATOM 1011 CG1 VAL B 208 -1.935 0.594 -1.096 1.00 0.00 C ATOM 1012 CG2 VAL B 208 -1.116 2.960 -1.401 1.00 0.00 C ATOM 0 H VAL B 208 -3.828 3.455 -3.212 1.00 0.00 H new ATOM 0 HA VAL B 208 -1.508 1.645 -3.667 1.00 0.00 H new ATOM 0 HB VAL B 208 -3.153 2.339 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -1.769 0.702 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -2.778 -0.075 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -1.041 0.178 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -0.966 3.020 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -0.194 2.627 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -1.388 3.943 -1.785 1.00 0.00 H new ATOM 1022 N THR B 209 -2.875 -0.237 -4.348 1.00 0.00 N ATOM 1023 CA THR B 209 -3.649 -1.388 -4.779 1.00 0.00 C ATOM 1024 C THR B 209 -3.122 -2.663 -4.117 1.00 0.00 C ATOM 1025 O THR B 209 -1.924 -2.786 -3.863 1.00 0.00 O ATOM 1026 CB THR B 209 -3.612 -1.437 -6.308 1.00 0.00 C ATOM 1027 OG1 THR B 209 -3.660 -0.068 -6.700 1.00 0.00 O ATOM 1028 CG2 THR B 209 -4.886 -2.039 -6.904 1.00 0.00 C ATOM 0 H THR B 209 -1.910 -0.224 -4.678 1.00 0.00 H new ATOM 0 HA THR B 209 -4.690 -1.304 -4.467 1.00 0.00 H new ATOM 0 HB THR B 209 -2.749 -2.018 -6.632 1.00 0.00 H new ATOM 0 HG1 THR B 209 -3.638 -0.007 -7.678 1.00 0.00 H new ATOM 0 HG21 THR B 209 -4.809 -2.051 -7.991 1.00 0.00 H new ATOM 0 HG22 THR B 209 -5.013 -3.058 -6.538 1.00 0.00 H new ATOM 0 HG23 THR B 209 -5.746 -1.438 -6.608 1.00 0.00 H new ATOM 1036 N VAL B 210 -4.041 -3.581 -3.857 1.00 0.00 N ATOM 1037 CA VAL B 210 -3.684 -4.842 -3.231 1.00 0.00 C ATOM 1038 C VAL B 210 -4.486 -5.973 -3.877 1.00 0.00 C ATOM 1039 O VAL B 210 -5.709 -6.023 -3.749 1.00 0.00 O ATOM 1040 CB VAL B 210 -3.891 -4.750 -1.717 1.00 0.00 C ATOM 1041 CG1 VAL B 210 -4.171 -6.131 -1.118 1.00 0.00 C ATOM 1042 CG2 VAL B 210 -2.689 -4.092 -1.038 1.00 0.00 C ATOM 0 H VAL B 210 -5.033 -3.476 -4.069 1.00 0.00 H new ATOM 0 HA VAL B 210 -2.628 -5.062 -3.389 1.00 0.00 H new ATOM 0 HB VAL B 210 -4.763 -4.122 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL B 210 -4.314 -6.038 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL B 210 -5.071 -6.548 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL B 210 -3.327 -6.791 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL B 210 -2.862 -4.039 0.037 1.00 0.00 H new ATOM 0 HG22 VAL B 210 -1.793 -4.682 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL B 210 -2.554 -3.085 -1.434 1.00 0.00 H new ATOM 1052 N THR B 211 -3.766 -6.853 -4.556 1.00 0.00 N ATOM 1053 CA THR B 211 -4.396 -7.980 -5.222 1.00 0.00 C ATOM 1054 C THR B 211 -3.808 -9.298 -4.711 1.00 0.00 C ATOM 1055 O THR B 211 -2.592 -9.433 -4.586 1.00 0.00 O ATOM 1056 CB THR B 211 -4.233 -7.788 -6.731 1.00 0.00 C ATOM 1057 OG1 THR B 211 -4.976 -6.605 -7.012 1.00 0.00 O ATOM 1058 CG2 THR B 211 -4.944 -8.875 -7.540 1.00 0.00 C ATOM 0 H THR B 211 -2.752 -6.809 -4.659 1.00 0.00 H new ATOM 0 HA THR B 211 -5.462 -8.027 -4.998 1.00 0.00 H new ATOM 0 HB THR B 211 -3.173 -7.783 -6.984 1.00 0.00 H new ATOM 0 HG1 THR B 211 -4.712 -6.253 -7.888 1.00 0.00 H new ATOM 0 HG21 THR B 211 -4.797 -8.691 -8.604 1.00 0.00 H new ATOM 0 HG22 THR B 211 -4.532 -9.850 -7.280 1.00 0.00 H new ATOM 0 HG23 THR B 211 -6.010 -8.859 -7.313 1.00 0.00 H new ATOM 1066 N ASN B 212 -4.700 -10.236 -4.429 1.00 0.00 N ATOM 1067 CA ASN B 212 -4.285 -11.538 -3.935 1.00 0.00 C ATOM 1068 C ASN B 212 -4.227 -12.527 -5.101 1.00 0.00 C ATOM 1069 O ASN B 212 -5.257 -13.036 -5.540 1.00 0.00 O ATOM 1070 CB ASN B 212 -5.281 -12.079 -2.906 1.00 0.00 C ATOM 1071 CG ASN B 212 -5.784 -10.961 -1.990 1.00 0.00 C ATOM 1072 OD1 ASN B 212 -5.329 -9.831 -2.039 1.00 0.00 O ATOM 1073 ND2 ASN B 212 -6.746 -11.340 -1.153 1.00 0.00 N ATOM 0 H ASN B 212 -5.708 -10.120 -4.533 1.00 0.00 H new ATOM 0 HA ASN B 212 -3.307 -11.425 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN B 212 -6.125 -12.541 -3.419 1.00 0.00 H new ATOM 0 HB3 ASN B 212 -4.806 -12.857 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN B 212 -7.148 -10.667 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN B 212 -7.082 -12.303 -1.164 1.00 0.00 H new ATOM 1080 N ASN B 213 -3.012 -12.769 -5.570 1.00 0.00 N ATOM 1081 CA ASN B 213 -2.804 -13.688 -6.676 1.00 0.00 C ATOM 1082 C ASN B 213 -3.278 -15.085 -6.268 1.00 0.00 C ATOM 1083 O ASN B 213 -3.439 -15.961 -7.116 1.00 0.00 O ATOM 1084 CB ASN B 213 -1.323 -13.779 -7.046 1.00 0.00 C ATOM 1085 CG ASN B 213 -1.075 -13.233 -8.454 1.00 0.00 C ATOM 1086 OD1 ASN B 213 -1.298 -13.895 -9.454 1.00 0.00 O ATOM 1087 ND2 ASN B 213 -0.603 -11.989 -8.475 1.00 0.00 N ATOM 0 H ASN B 213 -2.160 -12.344 -5.204 1.00 0.00 H new ATOM 0 HA ASN B 213 -3.366 -13.317 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -0.729 -13.218 -6.325 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -0.994 -14.817 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -0.406 -11.533 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -0.439 -11.491 -7.600 1.00 0.00 H new ATOM 1094 N SER B 214 -3.488 -15.248 -4.970 1.00 0.00 N ATOM 1095 CA SER B 214 -3.939 -16.523 -4.441 1.00 0.00 C ATOM 1096 C SER B 214 -5.455 -16.650 -4.601 1.00 0.00 C ATOM 1097 O SER B 214 -5.969 -17.741 -4.841 1.00 0.00 O ATOM 1098 CB SER B 214 -3.545 -16.679 -2.970 1.00 0.00 C ATOM 1099 OG SER B 214 -4.609 -16.322 -2.093 1.00 0.00 O ATOM 0 H SER B 214 -3.354 -14.518 -4.270 1.00 0.00 H new ATOM 0 HA SER B 214 -3.453 -17.319 -5.006 1.00 0.00 H new ATOM 0 HB2 SER B 214 -3.250 -17.711 -2.781 1.00 0.00 H new ATOM 0 HB3 SER B 214 -2.676 -16.055 -2.759 1.00 0.00 H new ATOM 0 HG SER B 214 -4.319 -16.436 -1.164 1.00 0.00 H new ATOM 1105 N ASN B 215 -6.130 -15.517 -4.461 1.00 0.00 N ATOM 1106 CA ASN B 215 -7.577 -15.488 -4.586 1.00 0.00 C ATOM 1107 C ASN B 215 -7.958 -14.733 -5.862 1.00 0.00 C ATOM 1108 O ASN B 215 -9.139 -14.580 -6.167 1.00 0.00 O ATOM 1109 CB ASN B 215 -8.218 -14.765 -3.400 1.00 0.00 C ATOM 1110 CG ASN B 215 -9.351 -15.599 -2.798 1.00 0.00 C ATOM 1111 OD1 ASN B 215 -9.245 -16.801 -2.619 1.00 0.00 O ATOM 1112 ND2 ASN B 215 -10.438 -14.896 -2.497 1.00 0.00 N ATOM 0 H ASN B 215 -5.701 -14.613 -4.262 1.00 0.00 H new ATOM 0 HA ASN B 215 -7.934 -16.517 -4.616 1.00 0.00 H new ATOM 0 HB2 ASN B 215 -7.463 -14.567 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN B 215 -8.605 -13.799 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN B 215 -11.250 -15.361 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN B 215 -10.461 -13.891 -2.673 1.00 0.00 H new ATOM 1119 N GLY B 216 -6.934 -14.280 -6.571 1.00 0.00 N ATOM 1120 CA GLY B 216 -7.147 -13.544 -7.805 1.00 0.00 C ATOM 1121 C GLY B 216 -8.041 -12.325 -7.570 1.00 0.00 C ATOM 1122 O GLY B 216 -8.590 -11.761 -8.516 1.00 0.00 O ATOM 0 H GLY B 216 -5.955 -14.409 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY B 216 -6.188 -13.223 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY B 216 -7.605 -14.197 -8.548 1.00 0.00 H new ATOM 1126 N VAL B 217 -8.159 -11.953 -6.304 1.00 0.00 N ATOM 1127 CA VAL B 217 -8.977 -10.811 -5.933 1.00 0.00 C ATOM 1128 C VAL B 217 -8.113 -9.549 -5.934 1.00 0.00 C ATOM 1129 O VAL B 217 -7.082 -9.497 -5.265 1.00 0.00 O ATOM 1130 CB VAL B 217 -9.657 -11.070 -4.586 1.00 0.00 C ATOM 1131 CG1 VAL B 217 -10.270 -9.785 -4.025 1.00 0.00 C ATOM 1132 CG2 VAL B 217 -10.709 -12.173 -4.706 1.00 0.00 C ATOM 0 H VAL B 217 -7.702 -12.422 -5.522 1.00 0.00 H new ATOM 0 HA VAL B 217 -9.774 -10.659 -6.660 1.00 0.00 H new ATOM 0 HB VAL B 217 -8.894 -11.410 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL B 217 -10.747 -9.997 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL B 217 -9.487 -9.040 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL B 217 -11.014 -9.401 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL B 217 -11.177 -12.337 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL B 217 -11.468 -11.874 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL B 217 -10.233 -13.095 -5.040 1.00 0.00 H new ATOM 1142 N SER B 218 -8.565 -8.561 -6.692 1.00 0.00 N ATOM 1143 CA SER B 218 -7.846 -7.302 -6.789 1.00 0.00 C ATOM 1144 C SER B 218 -8.681 -6.174 -6.179 1.00 0.00 C ATOM 1145 O SER B 218 -9.902 -6.152 -6.326 1.00 0.00 O ATOM 1146 CB SER B 218 -7.498 -6.977 -8.243 1.00 0.00 C ATOM 1147 OG SER B 218 -8.374 -7.627 -9.160 1.00 0.00 O ATOM 0 H SER B 218 -9.421 -8.607 -7.245 1.00 0.00 H new ATOM 0 HA SER B 218 -6.913 -7.397 -6.233 1.00 0.00 H new ATOM 0 HB2 SER B 218 -7.549 -5.899 -8.396 1.00 0.00 H new ATOM 0 HB3 SER B 218 -6.471 -7.280 -8.446 1.00 0.00 H new ATOM 0 HG SER B 218 -8.120 -7.393 -10.077 1.00 0.00 H new ATOM 1153 N VAL B 219 -7.988 -5.266 -5.507 1.00 0.00 N ATOM 1154 CA VAL B 219 -8.650 -4.139 -4.873 1.00 0.00 C ATOM 1155 C VAL B 219 -7.698 -2.941 -4.848 1.00 0.00 C ATOM 1156 O VAL B 219 -6.514 -3.093 -4.550 1.00 0.00 O ATOM 1157 CB VAL B 219 -9.147 -4.537 -3.482 1.00 0.00 C ATOM 1158 CG1 VAL B 219 -10.162 -3.523 -2.951 1.00 0.00 C ATOM 1159 CG2 VAL B 219 -9.737 -5.949 -3.494 1.00 0.00 C ATOM 0 H VAL B 219 -6.975 -5.288 -5.388 1.00 0.00 H new ATOM 0 HA VAL B 219 -9.530 -3.843 -5.445 1.00 0.00 H new ATOM 0 HB VAL B 219 -8.291 -4.537 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL B 219 -10.499 -3.830 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL B 219 -9.695 -2.540 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL B 219 -11.016 -3.475 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL B 219 -10.083 -6.207 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL B 219 -10.576 -5.987 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL B 219 -8.973 -6.660 -3.809 1.00 0.00 H new ATOM 1169 N ASP B 220 -8.250 -1.780 -5.165 1.00 0.00 N ATOM 1170 CA ASP B 220 -7.464 -0.558 -5.183 1.00 0.00 C ATOM 1171 C ASP B 220 -8.010 0.410 -4.131 1.00 0.00 C ATOM 1172 O ASP B 220 -9.205 0.410 -3.844 1.00 0.00 O ATOM 1173 CB ASP B 220 -7.546 0.130 -6.547 1.00 0.00 C ATOM 1174 CG ASP B 220 -8.022 -0.762 -7.695 1.00 0.00 C ATOM 1175 OD1 ASP B 220 -9.090 -1.387 -7.522 1.00 0.00 O ATOM 1176 OD2 ASP B 220 -7.306 -0.800 -8.719 1.00 0.00 O ATOM 0 H ASP B 220 -9.232 -1.659 -5.412 1.00 0.00 H new ATOM 0 HA ASP B 220 -6.427 -0.821 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP B 220 -8.220 0.983 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP B 220 -6.561 0.524 -6.798 1.00 0.00 H new ATOM 1181 N TYR B 221 -7.106 1.211 -3.586 1.00 0.00 N ATOM 1182 CA TYR B 221 -7.483 2.182 -2.572 1.00 0.00 C ATOM 1183 C TYR B 221 -6.780 3.521 -2.808 1.00 0.00 C ATOM 1184 O TYR B 221 -5.556 3.573 -2.919 1.00 0.00 O ATOM 1185 CB TYR B 221 -7.013 1.600 -1.237 1.00 0.00 C ATOM 1186 CG TYR B 221 -7.528 0.187 -0.958 1.00 0.00 C ATOM 1187 CD1 TYR B 221 -7.109 -0.867 -1.743 1.00 0.00 C ATOM 1188 CD2 TYR B 221 -8.413 -0.033 0.078 1.00 0.00 C ATOM 1189 CE1 TYR B 221 -7.594 -2.198 -1.481 1.00 0.00 C ATOM 1190 CE2 TYR B 221 -8.898 -1.364 0.341 1.00 0.00 C ATOM 1191 CZ TYR B 221 -8.464 -2.380 -0.452 1.00 0.00 C ATOM 1192 OH TYR B 221 -8.923 -3.637 -0.204 1.00 0.00 O ATOM 0 H TYR B 221 -6.115 1.208 -3.827 1.00 0.00 H new ATOM 0 HA TYR B 221 -8.558 2.364 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR B 221 -5.923 1.588 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR B 221 -7.336 2.259 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR B 221 -6.417 -0.694 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR B 221 -8.742 0.793 0.692 1.00 0.00 H new ATOM 0 HE1 TYR B 221 -7.274 -3.032 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR B 221 -9.590 -1.550 1.149 1.00 0.00 H new ATOM 0 HH TYR B 221 -8.181 -4.203 0.096 1.00 0.00 H new ATOM 1202 N GLU B 222 -7.585 4.571 -2.874 1.00 0.00 N ATOM 1203 CA GLU B 222 -7.056 5.907 -3.094 1.00 0.00 C ATOM 1204 C GLU B 222 -7.075 6.706 -1.790 1.00 0.00 C ATOM 1205 O GLU B 222 -8.141 7.011 -1.260 1.00 0.00 O ATOM 1206 CB GLU B 222 -7.836 6.631 -4.193 1.00 0.00 C ATOM 1207 CG GLU B 222 -7.245 8.017 -4.462 1.00 0.00 C ATOM 1208 CD GLU B 222 -7.927 8.681 -5.660 1.00 0.00 C ATOM 1209 OE1 GLU B 222 -7.791 8.125 -6.771 1.00 0.00 O ATOM 1210 OE2 GLU B 222 -8.570 9.730 -5.438 1.00 0.00 O ATOM 0 H GLU B 222 -8.599 4.524 -2.779 1.00 0.00 H new ATOM 0 HA GLU B 222 -6.022 5.818 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU B 222 -7.816 6.039 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU B 222 -8.881 6.728 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU B 222 -7.363 8.644 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU B 222 -6.175 7.930 -4.651 1.00 0.00 H new ATOM 1217 N THR B 223 -5.880 7.022 -1.310 1.00 0.00 N ATOM 1218 CA THR B 223 -5.746 7.780 -0.078 1.00 0.00 C ATOM 1219 C THR B 223 -4.643 8.832 -0.216 1.00 0.00 C ATOM 1220 O THR B 223 -3.699 8.648 -0.983 1.00 0.00 O ATOM 1221 CB THR B 223 -5.502 6.790 1.063 1.00 0.00 C ATOM 1222 OG1 THR B 223 -6.025 7.448 2.212 1.00 0.00 O ATOM 1223 CG2 THR B 223 -4.015 6.615 1.378 1.00 0.00 C ATOM 0 H THR B 223 -4.997 6.767 -1.752 1.00 0.00 H new ATOM 0 HA THR B 223 -6.657 8.336 0.145 1.00 0.00 H new ATOM 0 HB THR B 223 -5.934 5.824 0.803 1.00 0.00 H new ATOM 0 HG1 THR B 223 -5.909 6.875 2.998 1.00 0.00 H new ATOM 0 HG21 THR B 223 -3.897 5.903 2.195 1.00 0.00 H new ATOM 0 HG22 THR B 223 -3.497 6.243 0.494 1.00 0.00 H new ATOM 0 HG23 THR B 223 -3.590 7.575 1.670 1.00 0.00 H new ATOM 1231 N GLU B 224 -4.799 9.909 0.539 1.00 0.00 N ATOM 1232 CA GLU B 224 -3.828 10.990 0.510 1.00 0.00 C ATOM 1233 C GLU B 224 -2.962 10.958 1.771 1.00 0.00 C ATOM 1234 O GLU B 224 -3.330 11.532 2.796 1.00 0.00 O ATOM 1235 CB GLU B 224 -4.520 12.345 0.354 1.00 0.00 C ATOM 1236 CG GLU B 224 -3.550 13.492 0.641 1.00 0.00 C ATOM 1237 CD GLU B 224 -4.262 14.844 0.561 1.00 0.00 C ATOM 1238 OE1 GLU B 224 -4.844 15.242 1.593 1.00 0.00 O ATOM 1239 OE2 GLU B 224 -4.207 15.450 -0.531 1.00 0.00 O ATOM 0 H GLU B 224 -5.583 10.057 1.175 1.00 0.00 H new ATOM 0 HA GLU B 224 -3.181 10.849 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU B 224 -4.914 12.442 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU B 224 -5.370 12.404 1.034 1.00 0.00 H new ATOM 0 HG2 GLU B 224 -3.113 13.365 1.632 1.00 0.00 H new ATOM 0 HG3 GLU B 224 -2.729 13.466 -0.075 1.00 0.00 H new ATOM 1246 N THR B 225 -1.828 10.284 1.655 1.00 0.00 N ATOM 1247 CA THR B 225 -0.907 10.171 2.773 1.00 0.00 C ATOM 1248 C THR B 225 0.528 10.430 2.311 1.00 0.00 C ATOM 1249 O THR B 225 1.127 9.596 1.635 1.00 0.00 O ATOM 1250 CB THR B 225 -1.100 8.792 3.407 1.00 0.00 C ATOM 1251 OG1 THR B 225 -1.233 7.913 2.294 1.00 0.00 O ATOM 1252 CG2 THR B 225 -2.436 8.667 4.143 1.00 0.00 C ATOM 0 H THR B 225 -1.526 9.810 0.804 1.00 0.00 H new ATOM 0 HA THR B 225 -1.113 10.926 3.532 1.00 0.00 H new ATOM 0 HB THR B 225 -0.283 8.595 4.102 1.00 0.00 H new ATOM 0 HG1 THR B 225 -1.360 6.996 2.615 1.00 0.00 H new ATOM 0 HG21 THR B 225 -2.522 7.670 4.574 1.00 0.00 H new ATOM 0 HG22 THR B 225 -2.485 9.411 4.938 1.00 0.00 H new ATOM 0 HG23 THR B 225 -3.254 8.831 3.442 1.00 0.00 H new ATOM 1260 N PRO B 226 1.052 11.623 2.703 1.00 0.00 N ATOM 1261 CA PRO B 226 2.405 12.004 2.336 1.00 0.00 C ATOM 1262 C PRO B 226 3.435 11.238 3.169 1.00 0.00 C ATOM 1263 O PRO B 226 3.970 10.224 2.723 1.00 0.00 O ATOM 1264 CB PRO B 226 2.463 13.507 2.554 1.00 0.00 C ATOM 1265 CG PRO B 226 1.298 13.841 3.471 1.00 0.00 C ATOM 1266 CD PRO B 226 0.371 12.636 3.505 1.00 0.00 C ATOM 0 HA PRO B 226 2.647 11.756 1.303 1.00 0.00 H new ATOM 0 HB2 PRO B 226 3.411 13.800 3.005 1.00 0.00 H new ATOM 0 HB3 PRO B 226 2.381 14.042 1.608 1.00 0.00 H new ATOM 0 HG2 PRO B 226 1.656 14.075 4.473 1.00 0.00 H new ATOM 0 HG3 PRO B 226 0.767 14.721 3.108 1.00 0.00 H new ATOM 0 HD2 PRO B 226 0.208 12.290 4.526 1.00 0.00 H new ATOM 0 HD3 PRO B 226 -0.608 12.877 3.091 1.00 0.00 H new ATOM 1274 N MET B 227 3.682 11.753 4.365 1.00 0.00 N ATOM 1275 CA MET B 227 4.638 11.130 5.265 1.00 0.00 C ATOM 1276 C MET B 227 4.056 9.862 5.892 1.00 0.00 C ATOM 1277 O MET B 227 4.793 8.935 6.224 1.00 0.00 O ATOM 1278 CB MET B 227 5.019 12.118 6.369 1.00 0.00 C ATOM 1279 CG MET B 227 5.635 13.389 5.780 1.00 0.00 C ATOM 1280 SD MET B 227 7.161 12.996 4.942 1.00 0.00 S ATOM 1281 CE MET B 227 6.637 13.167 3.245 1.00 0.00 C ATOM 0 H MET B 227 3.237 12.594 4.731 1.00 0.00 H new ATOM 0 HA MET B 227 5.523 10.855 4.691 1.00 0.00 H new ATOM 0 HB2 MET B 227 4.135 12.375 6.953 1.00 0.00 H new ATOM 0 HB3 MET B 227 5.727 11.650 7.052 1.00 0.00 H new ATOM 0 HG2 MET B 227 4.937 13.852 5.083 1.00 0.00 H new ATOM 0 HG3 MET B 227 5.822 14.113 6.573 1.00 0.00 H new ATOM 0 HE1 MET B 227 7.512 13.256 2.601 1.00 0.00 H new ATOM 0 HE2 MET B 227 6.059 12.291 2.953 1.00 0.00 H new ATOM 0 HE3 MET B 227 6.020 14.060 3.143 1.00 0.00 H new ATOM 1291 N THR B 228 2.739 9.863 6.035 1.00 0.00 N ATOM 1292 CA THR B 228 2.050 8.723 6.616 1.00 0.00 C ATOM 1293 C THR B 228 2.455 7.433 5.902 1.00 0.00 C ATOM 1294 O THR B 228 2.533 6.373 6.523 1.00 0.00 O ATOM 1295 CB THR B 228 0.546 9.002 6.561 1.00 0.00 C ATOM 1296 OG1 THR B 228 0.452 10.270 5.919 1.00 0.00 O ATOM 1297 CG2 THR B 228 -0.057 9.240 7.947 1.00 0.00 C ATOM 0 H THR B 228 2.131 10.634 5.759 1.00 0.00 H new ATOM 0 HA THR B 228 2.332 8.581 7.659 1.00 0.00 H new ATOM 0 HB THR B 228 0.039 8.163 6.084 1.00 0.00 H new ATOM 0 HG1 THR B 228 -0.490 10.528 5.840 1.00 0.00 H new ATOM 0 HG21 THR B 228 -1.125 9.433 7.851 1.00 0.00 H new ATOM 0 HG22 THR B 228 0.098 8.357 8.568 1.00 0.00 H new ATOM 0 HG23 THR B 228 0.427 10.099 8.411 1.00 0.00 H new ATOM 1305 N LEU B 229 2.703 7.564 4.607 1.00 0.00 N ATOM 1306 CA LEU B 229 3.098 6.421 3.802 1.00 0.00 C ATOM 1307 C LEU B 229 4.307 5.741 4.447 1.00 0.00 C ATOM 1308 O LEU B 229 4.457 4.523 4.363 1.00 0.00 O ATOM 1309 CB LEU B 229 3.334 6.844 2.350 1.00 0.00 C ATOM 1310 CG LEU B 229 2.087 6.939 1.468 1.00 0.00 C ATOM 1311 CD1 LEU B 229 2.359 7.782 0.222 1.00 0.00 C ATOM 1312 CD2 LEU B 229 1.557 5.547 1.116 1.00 0.00 C ATOM 0 H LEU B 229 2.638 8.444 4.096 1.00 0.00 H new ATOM 0 HA LEU B 229 2.296 5.683 3.770 1.00 0.00 H new ATOM 0 HB2 LEU B 229 3.829 7.815 2.351 1.00 0.00 H new ATOM 0 HB3 LEU B 229 4.025 6.135 1.893 1.00 0.00 H new ATOM 0 HG LEU B 229 1.306 7.447 2.034 1.00 0.00 H new ATOM 0 HD11 LEU B 229 1.456 7.833 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU B 229 2.653 8.788 0.521 1.00 0.00 H new ATOM 0 HD13 LEU B 229 3.162 7.326 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU B 229 0.671 5.643 0.489 1.00 0.00 H new ATOM 0 HD22 LEU B 229 2.324 4.991 0.577 1.00 0.00 H new ATOM 0 HD23 LEU B 229 1.298 5.014 2.031 1.00 0.00 H new ATOM 1324 N LEU B 230 5.138 6.558 5.077 1.00 0.00 N ATOM 1325 CA LEU B 230 6.330 6.050 5.736 1.00 0.00 C ATOM 1326 C LEU B 230 5.960 5.555 7.136 1.00 0.00 C ATOM 1327 O LEU B 230 6.673 4.738 7.718 1.00 0.00 O ATOM 1328 CB LEU B 230 7.436 7.107 5.731 1.00 0.00 C ATOM 1329 CG LEU B 230 7.671 7.825 4.400 1.00 0.00 C ATOM 1330 CD1 LEU B 230 8.869 8.772 4.493 1.00 0.00 C ATOM 1331 CD2 LEU B 230 7.820 6.822 3.255 1.00 0.00 C ATOM 0 H LEU B 230 5.010 7.568 5.145 1.00 0.00 H new ATOM 0 HA LEU B 230 6.733 5.197 5.191 1.00 0.00 H new ATOM 0 HB2 LEU B 230 7.200 7.855 6.488 1.00 0.00 H new ATOM 0 HB3 LEU B 230 8.368 6.630 6.034 1.00 0.00 H new ATOM 0 HG LEU B 230 6.795 8.435 4.181 1.00 0.00 H new ATOM 0 HD11 LEU B 230 9.015 9.270 3.534 1.00 0.00 H new ATOM 0 HD12 LEU B 230 8.683 9.519 5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 230 9.764 8.203 4.746 1.00 0.00 H new ATOM 0 HD21 LEU B 230 7.986 7.358 2.321 1.00 0.00 H new ATOM 0 HD22 LEU B 230 8.668 6.167 3.453 1.00 0.00 H new ATOM 0 HD23 LEU B 230 6.912 6.225 3.174 1.00 0.00 H new ATOM 1343 N VAL B 231 4.847 6.069 7.637 1.00 0.00 N ATOM 1344 CA VAL B 231 4.374 5.690 8.958 1.00 0.00 C ATOM 1345 C VAL B 231 3.930 4.226 8.933 1.00 0.00 C ATOM 1346 O VAL B 231 3.223 3.802 8.020 1.00 0.00 O ATOM 1347 CB VAL B 231 3.267 6.643 9.411 1.00 0.00 C ATOM 1348 CG1 VAL B 231 2.671 6.194 10.747 1.00 0.00 C ATOM 1349 CG2 VAL B 231 3.783 8.081 9.498 1.00 0.00 C ATOM 0 H VAL B 231 4.258 6.746 7.152 1.00 0.00 H new ATOM 0 HA VAL B 231 5.176 5.775 9.691 1.00 0.00 H new ATOM 0 HB VAL B 231 2.474 6.616 8.663 1.00 0.00 H new ATOM 0 HG11 VAL B 231 1.886 6.888 11.047 1.00 0.00 H new ATOM 0 HG12 VAL B 231 2.250 5.194 10.640 1.00 0.00 H new ATOM 0 HG13 VAL B 231 3.452 6.179 11.507 1.00 0.00 H new ATOM 0 HG21 VAL B 231 2.976 8.738 9.822 1.00 0.00 H new ATOM 0 HG22 VAL B 231 4.602 8.131 10.215 1.00 0.00 H new ATOM 0 HG23 VAL B 231 4.139 8.400 8.518 1.00 0.00 H new ATOM 1359 N PRO B 232 4.375 3.473 9.974 1.00 0.00 N ATOM 1360 CA PRO B 232 4.031 2.066 10.081 1.00 0.00 C ATOM 1361 C PRO B 232 2.578 1.888 10.530 1.00 0.00 C ATOM 1362 O PRO B 232 1.859 1.045 9.996 1.00 0.00 O ATOM 1363 CB PRO B 232 5.031 1.490 11.071 1.00 0.00 C ATOM 1364 CG PRO B 232 5.598 2.678 11.831 1.00 0.00 C ATOM 1365 CD PRO B 232 5.214 3.940 11.075 1.00 0.00 C ATOM 0 HA PRO B 232 4.091 1.546 9.125 1.00 0.00 H new ATOM 0 HB2 PRO B 232 4.548 0.787 11.750 1.00 0.00 H new ATOM 0 HB3 PRO B 232 5.821 0.944 10.555 1.00 0.00 H new ATOM 0 HG2 PRO B 232 5.203 2.706 12.846 1.00 0.00 H new ATOM 0 HG3 PRO B 232 6.682 2.597 11.913 1.00 0.00 H new ATOM 0 HD2 PRO B 232 4.674 4.637 11.716 1.00 0.00 H new ATOM 0 HD3 PRO B 232 6.096 4.464 10.706 1.00 0.00 H new ATOM 1373 N GLU B 233 2.190 2.698 11.503 1.00 0.00 N ATOM 1374 CA GLU B 233 0.837 2.642 12.029 1.00 0.00 C ATOM 1375 C GLU B 233 -0.176 2.944 10.921 1.00 0.00 C ATOM 1376 O GLU B 233 -1.272 2.386 10.908 1.00 0.00 O ATOM 1377 CB GLU B 233 0.664 3.604 13.206 1.00 0.00 C ATOM 1378 CG GLU B 233 1.907 3.607 14.098 1.00 0.00 C ATOM 1379 CD GLU B 233 1.563 4.065 15.516 1.00 0.00 C ATOM 1380 OE1 GLU B 233 0.577 3.527 16.063 1.00 0.00 O ATOM 1381 OE2 GLU B 233 2.295 4.945 16.021 1.00 0.00 O ATOM 0 H GLU B 233 2.789 3.397 11.941 1.00 0.00 H new ATOM 0 HA GLU B 233 0.654 1.633 12.398 1.00 0.00 H new ATOM 0 HB2 GLU B 233 0.477 4.611 12.833 1.00 0.00 H new ATOM 0 HB3 GLU B 233 -0.208 3.314 13.792 1.00 0.00 H new ATOM 0 HG2 GLU B 233 2.339 2.607 14.130 1.00 0.00 H new ATOM 0 HG3 GLU B 233 2.663 4.267 13.672 1.00 0.00 H new ATOM 1388 N VAL B 234 0.228 3.826 10.019 1.00 0.00 N ATOM 1389 CA VAL B 234 -0.630 4.209 8.910 1.00 0.00 C ATOM 1390 C VAL B 234 -0.515 3.165 7.798 1.00 0.00 C ATOM 1391 O VAL B 234 -1.523 2.721 7.253 1.00 0.00 O ATOM 1392 CB VAL B 234 -0.280 5.623 8.442 1.00 0.00 C ATOM 1393 CG1 VAL B 234 -1.114 6.019 7.223 1.00 0.00 C ATOM 1394 CG2 VAL B 234 -0.452 6.635 9.576 1.00 0.00 C ATOM 0 H VAL B 234 1.138 4.287 10.033 1.00 0.00 H new ATOM 0 HA VAL B 234 -1.673 4.234 9.225 1.00 0.00 H new ATOM 0 HB VAL B 234 0.769 5.627 8.146 1.00 0.00 H new ATOM 0 HG11 VAL B 234 -0.846 7.028 6.911 1.00 0.00 H new ATOM 0 HG12 VAL B 234 -0.919 5.323 6.407 1.00 0.00 H new ATOM 0 HG13 VAL B 234 -2.173 5.989 7.481 1.00 0.00 H new ATOM 0 HG21 VAL B 234 -0.197 7.632 9.216 1.00 0.00 H new ATOM 0 HG22 VAL B 234 -1.487 6.627 9.917 1.00 0.00 H new ATOM 0 HG23 VAL B 234 0.205 6.369 10.404 1.00 0.00 H new ATOM 1404 N ALA B 235 0.724 2.805 7.494 1.00 0.00 N ATOM 1405 CA ALA B 235 0.984 1.821 6.457 1.00 0.00 C ATOM 1406 C ALA B 235 0.425 0.466 6.894 1.00 0.00 C ATOM 1407 O ALA B 235 -0.204 -0.235 6.102 1.00 0.00 O ATOM 1408 CB ALA B 235 2.485 1.769 6.168 1.00 0.00 C ATOM 0 H ALA B 235 1.558 3.177 7.948 1.00 0.00 H new ATOM 0 HA ALA B 235 0.484 2.099 5.529 1.00 0.00 H new ATOM 0 HB1 ALA B 235 2.680 1.031 5.390 1.00 0.00 H new ATOM 0 HB2 ALA B 235 2.825 2.749 5.832 1.00 0.00 H new ATOM 0 HB3 ALA B 235 3.021 1.490 7.075 1.00 0.00 H new ATOM 1414 N ALA B 236 0.675 0.137 8.152 1.00 0.00 N ATOM 1415 CA ALA B 236 0.206 -1.123 8.704 1.00 0.00 C ATOM 1416 C ALA B 236 -1.312 -1.214 8.535 1.00 0.00 C ATOM 1417 O ALA B 236 -1.830 -2.228 8.070 1.00 0.00 O ATOM 1418 CB ALA B 236 0.637 -1.232 10.167 1.00 0.00 C ATOM 0 H ALA B 236 1.197 0.721 8.806 1.00 0.00 H new ATOM 0 HA ALA B 236 0.649 -1.964 8.171 1.00 0.00 H new ATOM 0 HB1 ALA B 236 0.285 -2.177 10.581 1.00 0.00 H new ATOM 0 HB2 ALA B 236 1.724 -1.191 10.230 1.00 0.00 H new ATOM 0 HB3 ALA B 236 0.209 -0.406 10.735 1.00 0.00 H new ATOM 1424 N GLU B 237 -1.984 -0.140 8.923 1.00 0.00 N ATOM 1425 CA GLU B 237 -3.432 -0.085 8.822 1.00 0.00 C ATOM 1426 C GLU B 237 -3.862 -0.082 7.353 1.00 0.00 C ATOM 1427 O GLU B 237 -4.887 -0.664 7.001 1.00 0.00 O ATOM 1428 CB GLU B 237 -3.988 1.136 9.558 1.00 0.00 C ATOM 1429 CG GLU B 237 -5.484 1.306 9.286 1.00 0.00 C ATOM 1430 CD GLU B 237 -6.222 1.766 10.545 1.00 0.00 C ATOM 1431 OE1 GLU B 237 -5.750 2.753 11.150 1.00 0.00 O ATOM 1432 OE2 GLU B 237 -7.240 1.120 10.874 1.00 0.00 O ATOM 0 H GLU B 237 -1.552 0.700 9.308 1.00 0.00 H new ATOM 0 HA GLU B 237 -3.843 -0.974 9.300 1.00 0.00 H new ATOM 0 HB2 GLU B 237 -3.820 1.027 10.629 1.00 0.00 H new ATOM 0 HB3 GLU B 237 -3.453 2.031 9.241 1.00 0.00 H new ATOM 0 HG2 GLU B 237 -5.632 2.033 8.488 1.00 0.00 H new ATOM 0 HG3 GLU B 237 -5.904 0.362 8.939 1.00 0.00 H new ATOM 1439 N VAL B 238 -3.056 0.579 6.535 1.00 0.00 N ATOM 1440 CA VAL B 238 -3.339 0.665 5.113 1.00 0.00 C ATOM 1441 C VAL B 238 -3.235 -0.729 4.491 1.00 0.00 C ATOM 1442 O VAL B 238 -4.176 -1.203 3.858 1.00 0.00 O ATOM 1443 CB VAL B 238 -2.408 1.685 4.454 1.00 0.00 C ATOM 1444 CG1 VAL B 238 -2.078 1.278 3.017 1.00 0.00 C ATOM 1445 CG2 VAL B 238 -3.011 3.090 4.502 1.00 0.00 C ATOM 0 H VAL B 238 -2.207 1.060 6.830 1.00 0.00 H new ATOM 0 HA VAL B 238 -4.356 1.020 4.947 1.00 0.00 H new ATOM 0 HB VAL B 238 -1.476 1.702 5.019 1.00 0.00 H new ATOM 0 HG11 VAL B 238 -1.415 2.020 2.572 1.00 0.00 H new ATOM 0 HG12 VAL B 238 -1.586 0.306 3.018 1.00 0.00 H new ATOM 0 HG13 VAL B 238 -2.998 1.218 2.435 1.00 0.00 H new ATOM 0 HG21 VAL B 238 -2.329 3.795 4.027 1.00 0.00 H new ATOM 0 HG22 VAL B 238 -3.964 3.095 3.973 1.00 0.00 H new ATOM 0 HG23 VAL B 238 -3.170 3.382 5.540 1.00 0.00 H new ATOM 1455 N ILE B 239 -2.080 -1.347 4.694 1.00 0.00 N ATOM 1456 CA ILE B 239 -1.839 -2.677 4.161 1.00 0.00 C ATOM 1457 C ILE B 239 -2.918 -3.631 4.679 1.00 0.00 C ATOM 1458 O ILE B 239 -3.550 -4.342 3.898 1.00 0.00 O ATOM 1459 CB ILE B 239 -0.413 -3.132 4.477 1.00 0.00 C ATOM 1460 CG1 ILE B 239 0.613 -2.277 3.729 1.00 0.00 C ATOM 1461 CG2 ILE B 239 -0.236 -4.623 4.188 1.00 0.00 C ATOM 1462 CD1 ILE B 239 0.355 -2.306 2.221 1.00 0.00 C ATOM 0 H ILE B 239 -1.301 -0.951 5.220 1.00 0.00 H new ATOM 0 HA ILE B 239 -1.912 -2.671 3.073 1.00 0.00 H new ATOM 0 HB ILE B 239 -0.237 -2.988 5.543 1.00 0.00 H new ATOM 0 HG12 ILE B 239 0.568 -1.249 4.090 1.00 0.00 H new ATOM 0 HG13 ILE B 239 1.618 -2.644 3.937 1.00 0.00 H new ATOM 0 HG21 ILE B 239 0.787 -4.920 4.421 1.00 0.00 H new ATOM 0 HG22 ILE B 239 -0.930 -5.197 4.802 1.00 0.00 H new ATOM 0 HG23 ILE B 239 -0.438 -4.816 3.134 1.00 0.00 H new ATOM 0 HD11 ILE B 239 1.098 -1.691 1.713 1.00 0.00 H new ATOM 0 HD12 ILE B 239 0.425 -3.332 1.860 1.00 0.00 H new ATOM 0 HD13 ILE B 239 -0.642 -1.916 2.015 1.00 0.00 H new ATOM 1474 N LYS B 240 -3.094 -3.618 5.991 1.00 0.00 N ATOM 1475 CA LYS B 240 -4.085 -4.473 6.622 1.00 0.00 C ATOM 1476 C LYS B 240 -5.478 -4.086 6.124 1.00 0.00 C ATOM 1477 O LYS B 240 -6.293 -4.953 5.809 1.00 0.00 O ATOM 1478 CB LYS B 240 -3.941 -4.427 8.145 1.00 0.00 C ATOM 1479 CG LYS B 240 -5.306 -4.535 8.828 1.00 0.00 C ATOM 1480 CD LYS B 240 -5.847 -3.150 9.193 1.00 0.00 C ATOM 1481 CE LYS B 240 -7.328 -3.222 9.570 1.00 0.00 C ATOM 1482 NZ LYS B 240 -7.484 -3.641 10.981 1.00 0.00 N ATOM 0 H LYS B 240 -2.567 -3.029 6.635 1.00 0.00 H new ATOM 0 HA LYS B 240 -3.924 -5.514 6.341 1.00 0.00 H new ATOM 0 HB2 LYS B 240 -3.298 -5.242 8.478 1.00 0.00 H new ATOM 0 HB3 LYS B 240 -3.455 -3.497 8.440 1.00 0.00 H new ATOM 0 HG2 LYS B 240 -6.009 -5.041 8.166 1.00 0.00 H new ATOM 0 HG3 LYS B 240 -5.220 -5.144 9.728 1.00 0.00 H new ATOM 0 HD2 LYS B 240 -5.276 -2.740 10.026 1.00 0.00 H new ATOM 0 HD3 LYS B 240 -5.715 -2.471 8.351 1.00 0.00 H new ATOM 0 HE2 LYS B 240 -7.795 -2.249 9.420 1.00 0.00 H new ATOM 0 HE3 LYS B 240 -7.842 -3.927 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 240 -8.495 -3.685 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 240 -7.056 -4.579 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 240 -7.011 -2.954 11.602 1.00 0.00 H new ATOM 1496 N ASP B 241 -5.711 -2.782 6.069 1.00 0.00 N ATOM 1497 CA ASP B 241 -6.992 -2.269 5.614 1.00 0.00 C ATOM 1498 C ASP B 241 -7.268 -2.779 4.199 1.00 0.00 C ATOM 1499 O ASP B 241 -8.379 -3.211 3.896 1.00 0.00 O ATOM 1500 CB ASP B 241 -6.990 -0.740 5.574 1.00 0.00 C ATOM 1501 CG ASP B 241 -8.157 -0.111 4.810 1.00 0.00 C ATOM 1502 OD1 ASP B 241 -8.141 -0.216 3.564 1.00 0.00 O ATOM 1503 OD2 ASP B 241 -9.038 0.460 5.488 1.00 0.00 O ATOM 0 H ASP B 241 -5.034 -2.066 6.332 1.00 0.00 H new ATOM 0 HA ASP B 241 -7.758 -2.610 6.310 1.00 0.00 H new ATOM 0 HB2 ASP B 241 -7.001 -0.365 6.597 1.00 0.00 H new ATOM 0 HB3 ASP B 241 -6.057 -0.405 5.122 1.00 0.00 H new ATOM 1508 N LEU B 242 -6.237 -2.712 3.368 1.00 0.00 N ATOM 1509 CA LEU B 242 -6.354 -3.161 1.992 1.00 0.00 C ATOM 1510 C LEU B 242 -6.745 -4.640 1.974 1.00 0.00 C ATOM 1511 O LEU B 242 -7.684 -5.029 1.282 1.00 0.00 O ATOM 1512 CB LEU B 242 -5.070 -2.855 1.217 1.00 0.00 C ATOM 1513 CG LEU B 242 -4.981 -1.462 0.592 1.00 0.00 C ATOM 1514 CD1 LEU B 242 -4.007 -0.574 1.369 1.00 0.00 C ATOM 1515 CD2 LEU B 242 -4.618 -1.549 -0.892 1.00 0.00 C ATOM 0 H LEU B 242 -5.317 -2.353 3.622 1.00 0.00 H new ATOM 0 HA LEU B 242 -7.146 -2.615 1.480 1.00 0.00 H new ATOM 0 HB2 LEU B 242 -4.223 -2.984 1.891 1.00 0.00 H new ATOM 0 HB3 LEU B 242 -4.962 -3.595 0.424 1.00 0.00 H new ATOM 0 HG LEU B 242 -5.964 -0.995 0.656 1.00 0.00 H new ATOM 0 HD11 LEU B 242 -3.962 0.411 0.904 1.00 0.00 H new ATOM 0 HD12 LEU B 242 -4.349 -0.474 2.399 1.00 0.00 H new ATOM 0 HD13 LEU B 242 -3.015 -1.026 1.358 1.00 0.00 H new ATOM 0 HD21 LEU B 242 -4.561 -0.545 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU B 242 -3.653 -2.044 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU B 242 -5.381 -2.121 -1.420 1.00 0.00 H new ATOM 1527 N VAL B 243 -6.005 -5.425 2.744 1.00 0.00 N ATOM 1528 CA VAL B 243 -6.263 -6.852 2.825 1.00 0.00 C ATOM 1529 C VAL B 243 -7.603 -7.085 3.524 1.00 0.00 C ATOM 1530 O VAL B 243 -8.416 -7.887 3.065 1.00 0.00 O ATOM 1531 CB VAL B 243 -5.096 -7.555 3.522 1.00 0.00 C ATOM 1532 CG1 VAL B 243 -5.586 -8.752 4.340 1.00 0.00 C ATOM 1533 CG2 VAL B 243 -4.030 -7.982 2.510 1.00 0.00 C ATOM 0 H VAL B 243 -5.227 -5.099 3.317 1.00 0.00 H new ATOM 0 HA VAL B 243 -6.337 -7.284 1.827 1.00 0.00 H new ATOM 0 HB VAL B 243 -4.639 -6.844 4.210 1.00 0.00 H new ATOM 0 HG11 VAL B 243 -4.737 -9.234 4.825 1.00 0.00 H new ATOM 0 HG12 VAL B 243 -6.291 -8.411 5.098 1.00 0.00 H new ATOM 0 HG13 VAL B 243 -6.080 -9.466 3.681 1.00 0.00 H new ATOM 0 HG21 VAL B 243 -3.212 -8.479 3.031 1.00 0.00 H new ATOM 0 HG22 VAL B 243 -4.470 -8.668 1.786 1.00 0.00 H new ATOM 0 HG23 VAL B 243 -3.648 -7.103 1.991 1.00 0.00 H new ATOM 1543 N ASN B 244 -7.794 -6.369 4.623 1.00 0.00 N ATOM 1544 CA ASN B 244 -9.022 -6.488 5.390 1.00 0.00 C ATOM 1545 C ASN B 244 -10.218 -6.228 4.472 1.00 0.00 C ATOM 1546 O ASN B 244 -11.251 -6.887 4.590 1.00 0.00 O ATOM 1547 CB ASN B 244 -9.066 -5.461 6.523 1.00 0.00 C ATOM 1548 CG ASN B 244 -8.727 -6.114 7.866 1.00 0.00 C ATOM 1549 OD1 ASN B 244 -7.540 -6.714 7.892 1.00 0.00 O flip ATOM 1550 ND2 ASN B 244 -9.492 -6.074 8.816 1.00 0.00 N flip ATOM 0 H ASN B 244 -7.118 -5.704 5.000 1.00 0.00 H new ATOM 0 HA ASN B 244 -9.060 -7.492 5.812 1.00 0.00 H new ATOM 0 HB2 ASN B 244 -8.360 -4.656 6.317 1.00 0.00 H new ATOM 0 HB3 ASN B 244 -10.057 -5.011 6.573 1.00 0.00 H new ATOM 0 HD21 ASN B 244 -10.389 -5.596 8.729 1.00 0.00 H new ATOM 0 HD22 ASN B 244 -9.234 -6.518 9.697 1.00 0.00 H new ATOM 1557 N THR B 245 -10.040 -5.267 3.577 1.00 0.00 N ATOM 1558 CA THR B 245 -11.091 -4.912 2.640 1.00 0.00 C ATOM 1559 C THR B 245 -11.215 -5.977 1.549 1.00 0.00 C ATOM 1560 O THR B 245 -12.321 -6.339 1.151 1.00 0.00 O ATOM 1561 CB THR B 245 -10.786 -3.516 2.094 1.00 0.00 C ATOM 1562 OG1 THR B 245 -11.154 -2.640 3.156 1.00 0.00 O ATOM 1563 CG2 THR B 245 -11.717 -3.121 0.945 1.00 0.00 C ATOM 0 H THR B 245 -9.182 -4.723 3.481 1.00 0.00 H new ATOM 0 HA THR B 245 -12.064 -4.880 3.131 1.00 0.00 H new ATOM 0 HB THR B 245 -9.752 -3.477 1.753 1.00 0.00 H new ATOM 0 HG1 THR B 245 -10.388 -2.509 3.752 1.00 0.00 H new ATOM 0 HG21 THR B 245 -11.458 -2.122 0.594 1.00 0.00 H new ATOM 0 HG22 THR B 245 -11.607 -3.833 0.127 1.00 0.00 H new ATOM 0 HG23 THR B 245 -12.749 -3.126 1.295 1.00 0.00 H new