USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 1 MET N :NH3+ 150:sc= -0.232 (180deg=-1.23!) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -37:sc= 0.197 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.27! C(o=-4.3!,f=-4.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 21 MET CE :methyl 147:sc= -0.174 (180deg=-1.54!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.32 F(o=-1.2,f=-0.32) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 33 THR OG1 : rot 150:sc= -2.17! USER MOD Single : A 35 HIS :FLIP no HD1:sc= -3.71! C(o=-5.2!,f=-3.7!) USER MOD Single : A 37 SER OG : rot 45:sc= -0.0987! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc=-0.00875 (180deg=-0.231) USER MOD Single : A 43 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.77) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 153:sc= -2.82 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 116:sc= 1.46 USER MOD Single : A 63 SER OG : rot -11:sc= 0.89 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.173) USER MOD Single : A 68 THR OG1 : rot -76:sc= 1.09 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.566 22.285 -6.358 1.00 0.00 N ATOM 2 CA MET A 1 -6.964 21.826 -5.084 1.00 0.00 C ATOM 3 C MET A 1 -8.013 21.823 -3.981 1.00 0.00 C ATOM 4 O MET A 1 -9.016 22.500 -4.073 1.00 0.00 O ATOM 5 CB MET A 1 -5.827 22.774 -4.670 1.00 0.00 C ATOM 6 CG MET A 1 -6.328 24.219 -4.737 1.00 0.00 C ATOM 7 SD MET A 1 -5.139 25.529 -4.358 1.00 0.00 S ATOM 8 CE MET A 1 -5.235 25.408 -2.555 1.00 0.00 C ATOM 0 H1 MET A 1 -6.842 22.761 -6.933 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.940 21.467 -6.880 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.340 22.950 -6.157 1.00 0.00 H new ATOM 0 HA MET A 1 -6.576 20.818 -5.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.491 22.539 -3.660 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.969 22.643 -5.330 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.715 24.395 -5.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.168 24.317 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.567 26.142 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.258 25.602 -2.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.938 24.407 -2.241 1.00 0.00 H new ATOM 17 N SER A 2 -7.762 21.056 -2.955 1.00 0.00 N ATOM 18 CA SER A 2 -8.733 20.995 -1.836 1.00 0.00 C ATOM 19 C SER A 2 -8.035 20.618 -0.535 1.00 0.00 C ATOM 20 O SER A 2 -8.615 20.694 0.529 1.00 0.00 O ATOM 21 CB SER A 2 -9.781 19.920 -2.162 1.00 0.00 C ATOM 22 OG SER A 2 -10.853 20.199 -1.273 1.00 0.00 O ATOM 0 H SER A 2 -6.931 20.474 -2.847 1.00 0.00 H new ATOM 0 HA SER A 2 -9.198 21.973 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.101 19.978 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.385 18.917 -2.006 1.00 0.00 H new ATOM 0 HG SER A 2 -10.494 20.496 -0.411 1.00 0.00 H new ATOM 28 N LYS A 3 -6.797 20.216 -0.644 1.00 0.00 N ATOM 29 CA LYS A 3 -6.048 19.832 0.577 1.00 0.00 C ATOM 30 C LYS A 3 -4.552 20.068 0.393 1.00 0.00 C ATOM 31 O LYS A 3 -4.144 20.898 -0.395 1.00 0.00 O ATOM 32 CB LYS A 3 -6.285 18.336 0.841 1.00 0.00 C ATOM 33 CG LYS A 3 -5.721 17.525 -0.327 1.00 0.00 C ATOM 34 CD LYS A 3 -6.357 16.133 -0.324 1.00 0.00 C ATOM 35 CE LYS A 3 -6.005 15.421 0.984 1.00 0.00 C ATOM 36 NZ LYS A 3 -6.469 14.006 0.949 1.00 0.00 N ATOM 0 H LYS A 3 -6.280 20.139 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.396 20.438 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.804 18.038 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.351 18.139 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.928 18.031 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.638 17.444 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.439 16.214 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.998 15.554 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.927 15.453 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.467 15.941 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.222 13.537 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.501 13.982 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.009 13.509 0.160 1.00 0.00 H new ATOM 50 N GLU A 4 -3.761 19.334 1.126 1.00 0.00 N ATOM 51 CA GLU A 4 -2.291 19.504 1.007 1.00 0.00 C ATOM 52 C GLU A 4 -1.715 18.549 -0.034 1.00 0.00 C ATOM 53 O GLU A 4 -1.697 18.848 -1.211 1.00 0.00 O ATOM 54 CB GLU A 4 -1.654 19.192 2.370 1.00 0.00 C ATOM 55 CG GLU A 4 -1.955 20.338 3.339 1.00 0.00 C ATOM 56 CD GLU A 4 -1.187 20.113 4.643 1.00 0.00 C ATOM 57 OE1 GLU A 4 -0.051 20.554 4.684 1.00 0.00 O ATOM 58 OE2 GLU A 4 -1.780 19.510 5.523 1.00 0.00 O ATOM 0 H GLU A 4 -4.068 18.630 1.797 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.076 20.527 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.047 18.255 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.577 19.065 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.668 21.291 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.025 20.389 3.538 1.00 0.00 H new ATOM 65 N ASP A 5 -1.255 17.414 0.419 1.00 0.00 N ATOM 66 CA ASP A 5 -0.678 16.430 -0.530 1.00 0.00 C ATOM 67 C ASP A 5 0.416 17.074 -1.375 1.00 0.00 C ATOM 68 O ASP A 5 0.671 16.655 -2.486 1.00 0.00 O ATOM 69 CB ASP A 5 -1.796 15.937 -1.460 1.00 0.00 C ATOM 70 CG ASP A 5 -1.429 14.553 -2.001 1.00 0.00 C ATOM 71 OD1 ASP A 5 -0.635 14.527 -2.927 1.00 0.00 O ATOM 72 OD2 ASP A 5 -1.963 13.600 -1.457 1.00 0.00 O ATOM 0 H ASP A 5 -1.255 17.130 1.399 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.246 15.603 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.741 15.890 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.935 16.637 -2.284 1.00 0.00 H new ATOM 77 N SER A 6 1.043 18.081 -0.827 1.00 0.00 N ATOM 78 CA SER A 6 2.125 18.771 -1.577 1.00 0.00 C ATOM 79 C SER A 6 3.491 18.255 -1.152 1.00 0.00 C ATOM 80 O SER A 6 3.595 17.451 -0.244 1.00 0.00 O ATOM 81 CB SER A 6 2.048 20.271 -1.263 1.00 0.00 C ATOM 82 OG SER A 6 0.706 20.623 -1.563 1.00 0.00 O ATOM 0 H SER A 6 0.852 18.452 0.104 1.00 0.00 H new ATOM 0 HA SER A 6 1.996 18.583 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.288 20.472 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.754 20.841 -1.868 1.00 0.00 H new ATOM 0 HG SER A 6 0.571 21.577 -1.386 1.00 0.00 H new ATOM 88 N PHE A 7 4.516 18.735 -1.817 1.00 0.00 N ATOM 89 CA PHE A 7 5.902 18.291 -1.475 1.00 0.00 C ATOM 90 C PHE A 7 6.739 19.474 -1.022 1.00 0.00 C ATOM 91 O PHE A 7 6.681 20.532 -1.609 1.00 0.00 O ATOM 92 CB PHE A 7 6.541 17.681 -2.731 1.00 0.00 C ATOM 93 CG PHE A 7 5.910 16.315 -3.004 1.00 0.00 C ATOM 94 CD1 PHE A 7 4.615 16.225 -3.485 1.00 0.00 C ATOM 95 CD2 PHE A 7 6.622 15.150 -2.772 1.00 0.00 C ATOM 96 CE1 PHE A 7 4.045 14.994 -3.728 1.00 0.00 C ATOM 97 CE2 PHE A 7 6.047 13.920 -3.016 1.00 0.00 C ATOM 98 CZ PHE A 7 4.760 13.843 -3.493 1.00 0.00 C ATOM 0 H PHE A 7 4.452 19.411 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 7 5.859 17.559 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.393 18.341 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.617 17.577 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.048 17.125 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.634 15.205 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.034 14.933 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.609 13.016 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.311 12.879 -3.683 1.00 0.00 H new ATOM 108 N GLU A 8 7.513 19.277 0.009 1.00 0.00 N ATOM 109 CA GLU A 8 8.356 20.394 0.503 1.00 0.00 C ATOM 110 C GLU A 8 9.708 20.412 -0.193 1.00 0.00 C ATOM 111 O GLU A 8 10.309 19.381 -0.420 1.00 0.00 O ATOM 112 CB GLU A 8 8.578 20.202 2.011 1.00 0.00 C ATOM 113 CG GLU A 8 7.228 20.246 2.726 1.00 0.00 C ATOM 114 CD GLU A 8 7.409 19.795 4.176 1.00 0.00 C ATOM 115 OE1 GLU A 8 8.033 18.761 4.347 1.00 0.00 O ATOM 116 OE2 GLU A 8 6.915 20.511 5.031 1.00 0.00 O ATOM 0 H GLU A 8 7.596 18.400 0.524 1.00 0.00 H new ATOM 0 HA GLU A 8 7.849 21.336 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.072 19.249 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.233 20.983 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.820 21.256 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.513 19.598 2.218 1.00 0.00 H new ATOM 123 N MET A 9 10.159 21.590 -0.517 1.00 0.00 N ATOM 124 CA MET A 9 11.467 21.712 -1.198 1.00 0.00 C ATOM 125 C MET A 9 12.010 23.124 -1.052 1.00 0.00 C ATOM 126 O MET A 9 11.275 24.077 -1.155 1.00 0.00 O ATOM 127 CB MET A 9 11.265 21.413 -2.691 1.00 0.00 C ATOM 128 CG MET A 9 12.586 20.934 -3.286 1.00 0.00 C ATOM 129 SD MET A 9 13.430 19.576 -2.441 1.00 0.00 S ATOM 130 CE MET A 9 15.062 19.836 -3.173 1.00 0.00 C ATOM 0 H MET A 9 9.676 22.470 -0.338 1.00 0.00 H new ATOM 0 HA MET A 9 12.174 21.012 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.496 20.652 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 9 10.920 22.307 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.401 20.628 -4.316 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.267 21.784 -3.323 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.758 19.092 -2.784 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.994 19.739 -4.257 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.419 20.834 -2.920 1.00 0.00 H new ATOM 140 N GLU A 10 13.289 23.236 -0.816 1.00 0.00 N ATOM 141 CA GLU A 10 13.884 24.592 -0.661 1.00 0.00 C ATOM 142 C GLU A 10 14.434 25.107 -1.990 1.00 0.00 C ATOM 143 O GLU A 10 14.863 24.336 -2.826 1.00 0.00 O ATOM 144 CB GLU A 10 15.041 24.505 0.343 1.00 0.00 C ATOM 145 CG GLU A 10 14.506 24.030 1.693 1.00 0.00 C ATOM 146 CD GLU A 10 15.653 24.000 2.704 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.411 24.958 2.691 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.708 23.024 3.430 1.00 0.00 O ATOM 0 H GLU A 10 13.940 22.456 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 10 13.109 25.276 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.803 23.816 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.518 25.479 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.716 24.696 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.065 23.038 1.595 1.00 0.00 H new ATOM 155 N GLY A 11 14.414 26.409 -2.159 1.00 0.00 N ATOM 156 CA GLY A 11 14.935 26.991 -3.433 1.00 0.00 C ATOM 157 C GLY A 11 15.161 28.494 -3.261 1.00 0.00 C ATOM 158 O GLY A 11 14.611 29.100 -2.362 1.00 0.00 O ATOM 0 H GLY A 11 14.064 27.084 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.869 26.503 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.227 26.810 -4.242 1.00 0.00 H new ATOM 162 N THR A 12 15.960 29.069 -4.129 1.00 0.00 N ATOM 163 CA THR A 12 16.227 30.530 -4.021 1.00 0.00 C ATOM 164 C THR A 12 15.368 31.273 -5.019 1.00 0.00 C ATOM 165 O THR A 12 15.039 30.735 -6.038 1.00 0.00 O ATOM 166 CB THR A 12 17.698 30.782 -4.350 1.00 0.00 C ATOM 167 OG1 THR A 12 18.421 29.912 -3.503 1.00 0.00 O ATOM 168 CG2 THR A 12 18.119 32.189 -3.914 1.00 0.00 C ATOM 0 H THR A 12 16.432 28.592 -4.898 1.00 0.00 H new ATOM 0 HA THR A 12 15.998 30.875 -3.013 1.00 0.00 H new ATOM 0 HB THR A 12 17.869 30.648 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.381 30.022 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.170 32.346 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.511 32.929 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.977 32.295 -2.839 1.00 0.00 H new ATOM 176 N VAL A 13 15.055 32.513 -4.728 1.00 0.00 N ATOM 177 CA VAL A 13 14.178 33.301 -5.711 1.00 0.00 C ATOM 178 C VAL A 13 14.897 34.346 -6.537 1.00 0.00 C ATOM 179 O VAL A 13 15.141 35.410 -6.055 1.00 0.00 O ATOM 180 CB VAL A 13 13.147 34.084 -4.903 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.243 34.859 -5.861 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.300 33.094 -4.094 1.00 0.00 C ATOM 0 H VAL A 13 15.346 33.016 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 13 13.775 32.550 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 13 13.648 34.781 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.504 35.421 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.846 35.549 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.734 34.161 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.559 33.641 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.794 32.408 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.945 32.528 -3.421 1.00 0.00 H new ATOM 192 N VAL A 14 15.159 34.063 -7.805 1.00 0.00 N ATOM 193 CA VAL A 14 15.843 35.072 -8.603 1.00 0.00 C ATOM 194 C VAL A 14 15.283 35.074 -10.013 1.00 0.00 C ATOM 195 O VAL A 14 15.796 34.464 -10.935 1.00 0.00 O ATOM 196 CB VAL A 14 17.334 34.723 -8.638 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.144 35.962 -8.256 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.620 33.600 -7.640 1.00 0.00 C ATOM 0 H VAL A 14 14.924 33.194 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 14 15.698 36.061 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 14 17.612 34.394 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.207 35.723 -8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.938 36.764 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.865 36.284 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.681 33.352 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.348 33.927 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.035 32.719 -7.906 1.00 0.00 H new ATOM 208 N ASP A 15 14.234 35.784 -10.120 1.00 0.00 N ATOM 209 CA ASP A 15 13.533 35.931 -11.395 1.00 0.00 C ATOM 210 C ASP A 15 12.239 36.682 -11.149 1.00 0.00 C ATOM 211 O ASP A 15 11.623 36.494 -10.115 1.00 0.00 O ATOM 212 CB ASP A 15 13.233 34.556 -11.950 1.00 0.00 C ATOM 213 CG ASP A 15 13.943 34.388 -13.296 1.00 0.00 C ATOM 214 OD1 ASP A 15 15.129 34.680 -13.321 1.00 0.00 O ATOM 215 OD2 ASP A 15 13.261 33.980 -14.221 1.00 0.00 O ATOM 0 H ASP A 15 13.810 36.294 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 15 14.146 36.481 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.567 33.789 -11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.158 34.428 -12.074 1.00 0.00 H new ATOM 220 N THR A 16 11.834 37.493 -12.081 1.00 0.00 N ATOM 221 CA THR A 16 10.562 38.256 -11.883 1.00 0.00 C ATOM 222 C THR A 16 9.535 37.905 -12.945 1.00 0.00 C ATOM 223 O THR A 16 9.693 38.232 -14.105 1.00 0.00 O ATOM 224 CB THR A 16 10.876 39.752 -11.975 1.00 0.00 C ATOM 225 OG1 THR A 16 9.643 40.370 -12.275 1.00 0.00 O ATOM 226 CG2 THR A 16 11.767 40.055 -13.190 1.00 0.00 C ATOM 0 H THR A 16 12.317 37.664 -12.963 1.00 0.00 H new ATOM 0 HA THR A 16 10.148 37.998 -10.908 1.00 0.00 H new ATOM 0 HB THR A 16 11.361 40.085 -11.057 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.772 41.339 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.975 41.124 -13.231 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.705 39.507 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.255 39.749 -14.102 1.00 0.00 H new ATOM 234 N LEU A 17 8.489 37.244 -12.519 1.00 0.00 N ATOM 235 CA LEU A 17 7.429 36.855 -13.472 1.00 0.00 C ATOM 236 C LEU A 17 6.291 37.894 -13.451 1.00 0.00 C ATOM 237 O LEU A 17 6.233 38.725 -12.558 1.00 0.00 O ATOM 238 CB LEU A 17 6.886 35.500 -13.026 1.00 0.00 C ATOM 239 CG LEU A 17 7.873 34.415 -13.445 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.313 33.076 -13.034 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.051 34.432 -14.967 1.00 0.00 C ATOM 0 H LEU A 17 8.331 36.961 -11.552 1.00 0.00 H new ATOM 0 HA LEU A 17 7.830 36.802 -14.484 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.746 35.486 -11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.910 35.317 -13.476 1.00 0.00 H new ATOM 0 HG LEU A 17 8.837 34.592 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.006 32.287 -13.326 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.174 33.056 -11.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.353 32.916 -13.526 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.757 33.655 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.090 34.249 -15.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.433 35.405 -15.278 1.00 0.00 H new ATOM 253 N PRO A 18 5.359 37.803 -14.404 1.00 0.00 N ATOM 254 CA PRO A 18 4.251 38.748 -14.454 1.00 0.00 C ATOM 255 C PRO A 18 3.025 38.171 -13.780 1.00 0.00 C ATOM 256 O PRO A 18 2.948 36.984 -13.544 1.00 0.00 O ATOM 257 CB PRO A 18 3.946 38.878 -15.954 1.00 0.00 C ATOM 258 CG PRO A 18 4.562 37.616 -16.641 1.00 0.00 C ATOM 259 CD PRO A 18 5.456 36.925 -15.585 1.00 0.00 C ATOM 0 HA PRO A 18 4.498 39.688 -13.960 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.871 38.930 -16.129 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.379 39.792 -16.361 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.778 36.941 -16.985 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.146 37.899 -17.517 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.105 35.917 -15.363 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.486 36.835 -15.931 1.00 0.00 H new ATOM 267 N ASN A 19 2.105 39.037 -13.458 1.00 0.00 N ATOM 268 CA ASN A 19 0.863 38.591 -12.789 1.00 0.00 C ATOM 269 C ASN A 19 1.151 38.358 -11.317 1.00 0.00 C ATOM 270 O ASN A 19 0.513 37.552 -10.673 1.00 0.00 O ATOM 271 CB ASN A 19 0.361 37.272 -13.421 1.00 0.00 C ATOM 272 CG ASN A 19 0.759 37.220 -14.902 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.520 38.143 -15.653 1.00 0.00 O ATOM 274 ND2 ASN A 19 1.366 36.154 -15.356 1.00 0.00 N ATOM 0 H ASN A 19 2.166 40.040 -13.633 1.00 0.00 H new ATOM 0 HA ASN A 19 0.097 39.357 -12.907 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.786 36.419 -12.891 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.722 37.201 -13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.637 36.101 -16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.569 35.376 -14.728 1.00 0.00 H new ATOM 281 N THR A 20 2.131 39.080 -10.820 1.00 0.00 N ATOM 282 CA THR A 20 2.515 38.949 -9.391 1.00 0.00 C ATOM 283 C THR A 20 3.153 37.599 -9.116 1.00 0.00 C ATOM 284 O THR A 20 2.639 36.821 -8.336 1.00 0.00 O ATOM 285 CB THR A 20 1.256 39.088 -8.518 1.00 0.00 C ATOM 286 OG1 THR A 20 0.474 40.085 -9.141 1.00 0.00 O ATOM 287 CG2 THR A 20 1.615 39.678 -7.148 1.00 0.00 C ATOM 0 H THR A 20 2.679 39.756 -11.353 1.00 0.00 H new ATOM 0 HA THR A 20 3.237 39.731 -9.156 1.00 0.00 H new ATOM 0 HB THR A 20 0.772 38.118 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.351 40.221 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.713 39.769 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.325 39.022 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.063 40.663 -7.282 1.00 0.00 H new ATOM 295 N MET A 21 4.268 37.331 -9.760 1.00 0.00 N ATOM 296 CA MET A 21 4.927 36.025 -9.523 1.00 0.00 C ATOM 297 C MET A 21 6.436 36.133 -9.627 1.00 0.00 C ATOM 298 O MET A 21 6.971 37.121 -10.094 1.00 0.00 O ATOM 299 CB MET A 21 4.433 35.036 -10.590 1.00 0.00 C ATOM 300 CG MET A 21 2.987 34.648 -10.280 1.00 0.00 C ATOM 301 SD MET A 21 2.354 33.125 -11.028 1.00 0.00 S ATOM 302 CE MET A 21 2.036 33.797 -12.678 1.00 0.00 C ATOM 0 H MET A 21 4.734 37.951 -10.423 1.00 0.00 H new ATOM 0 HA MET A 21 4.677 35.688 -8.517 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.497 35.488 -11.580 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.066 34.149 -10.603 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.887 34.559 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.343 35.470 -10.593 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.207 33.022 -13.425 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.003 34.139 -12.739 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.707 34.635 -12.865 1.00 0.00 H new ATOM 312 N PHE A 22 7.087 35.107 -9.182 1.00 0.00 N ATOM 313 CA PHE A 22 8.555 35.077 -9.222 1.00 0.00 C ATOM 314 C PHE A 22 8.994 33.639 -9.440 1.00 0.00 C ATOM 315 O PHE A 22 8.213 32.733 -9.222 1.00 0.00 O ATOM 316 CB PHE A 22 9.084 35.570 -7.866 1.00 0.00 C ATOM 317 CG PHE A 22 8.218 36.739 -7.387 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.963 36.506 -6.849 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.670 38.045 -7.493 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.177 37.561 -6.429 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.879 39.096 -7.070 1.00 0.00 C ATOM 322 CZ PHE A 22 6.635 38.851 -6.539 1.00 0.00 C ATOM 0 H PHE A 22 6.651 34.274 -8.786 1.00 0.00 H new ATOM 0 HA PHE A 22 8.938 35.710 -10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.061 34.761 -7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.123 35.885 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.597 35.494 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.647 38.242 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.199 37.371 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.238 40.111 -7.157 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.018 39.673 -6.208 1.00 0.00 H new ATOM 332 N ARG A 23 10.217 33.440 -9.864 1.00 0.00 N ATOM 333 CA ARG A 23 10.683 32.032 -10.091 1.00 0.00 C ATOM 334 C ARG A 23 11.743 31.648 -9.103 1.00 0.00 C ATOM 335 O ARG A 23 12.634 32.435 -8.808 1.00 0.00 O ATOM 336 CB ARG A 23 11.276 31.922 -11.497 1.00 0.00 C ATOM 337 CG ARG A 23 11.458 30.452 -11.865 1.00 0.00 C ATOM 338 CD ARG A 23 12.292 30.367 -13.140 1.00 0.00 C ATOM 339 NE ARG A 23 11.387 30.516 -14.313 1.00 0.00 N ATOM 340 CZ ARG A 23 10.618 29.521 -14.661 1.00 0.00 C ATOM 341 NH1 ARG A 23 9.488 29.342 -14.031 1.00 0.00 N ATOM 342 NH2 ARG A 23 11.001 28.740 -15.632 1.00 0.00 N ATOM 0 H ARG A 23 10.901 34.171 -10.060 1.00 0.00 H new ATOM 0 HA ARG A 23 9.828 31.366 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.619 32.409 -12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.235 32.439 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.952 29.918 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.488 29.977 -12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.052 31.148 -13.147 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.816 29.412 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 23 11.368 31.389 -14.840 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.218 29.975 -13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.876 28.569 -14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.888 28.912 -16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.414 27.957 -15.919 1.00 0.00 H new ATOM 356 N VAL A 24 11.645 30.431 -8.604 1.00 0.00 N ATOM 357 CA VAL A 24 12.633 29.974 -7.639 1.00 0.00 C ATOM 358 C VAL A 24 13.435 28.895 -8.277 1.00 0.00 C ATOM 359 O VAL A 24 12.889 28.002 -8.897 1.00 0.00 O ATOM 360 CB VAL A 24 11.923 29.456 -6.385 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.069 28.253 -6.733 1.00 0.00 C ATOM 362 CG2 VAL A 24 12.977 29.051 -5.347 1.00 0.00 C ATOM 0 H VAL A 24 10.916 29.757 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 24 13.291 30.790 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 24 11.283 30.240 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.568 27.891 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.323 28.539 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.701 27.463 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.481 28.681 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.612 28.267 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.588 29.917 -5.092 1.00 0.00 H new ATOM 372 N GLU A 25 14.717 28.974 -8.117 1.00 0.00 N ATOM 373 CA GLU A 25 15.567 27.953 -8.726 1.00 0.00 C ATOM 374 C GLU A 25 15.967 26.859 -7.763 1.00 0.00 C ATOM 375 O GLU A 25 16.479 27.096 -6.685 1.00 0.00 O ATOM 376 CB GLU A 25 16.844 28.639 -9.230 1.00 0.00 C ATOM 377 CG GLU A 25 16.525 29.417 -10.507 1.00 0.00 C ATOM 378 CD GLU A 25 17.761 30.211 -10.936 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.756 30.082 -10.242 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.639 30.904 -11.933 1.00 0.00 O ATOM 0 H GLU A 25 15.204 29.701 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 25 14.997 27.486 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.235 29.313 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.617 27.896 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.226 28.731 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.686 30.092 -10.336 1.00 0.00 H new ATOM 387 N LEU A 26 15.701 25.697 -8.202 1.00 0.00 N ATOM 388 CA LEU A 26 15.998 24.485 -7.462 1.00 0.00 C ATOM 389 C LEU A 26 17.073 23.845 -8.279 1.00 0.00 C ATOM 390 O LEU A 26 17.084 22.652 -8.495 1.00 0.00 O ATOM 391 CB LEU A 26 14.747 23.581 -7.332 1.00 0.00 C ATOM 392 CG LEU A 26 13.564 24.444 -6.873 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.532 24.514 -7.988 1.00 0.00 C ATOM 394 CD2 LEU A 26 12.923 23.810 -5.636 1.00 0.00 C ATOM 0 H LEU A 26 15.259 25.529 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 26 16.308 24.672 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.521 23.108 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.932 22.781 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 26 13.916 25.447 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.690 25.126 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.984 24.957 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.181 23.509 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.082 24.421 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.569 22.809 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.660 23.748 -4.836 1.00 0.00 H new ATOM 406 N GLU A 27 17.931 24.748 -8.811 1.00 0.00 N ATOM 407 CA GLU A 27 19.064 24.357 -9.666 1.00 0.00 C ATOM 408 C GLU A 27 19.670 23.074 -9.229 1.00 0.00 C ATOM 409 O GLU A 27 20.502 22.517 -9.920 1.00 0.00 O ATOM 410 CB GLU A 27 20.112 25.459 -9.542 1.00 0.00 C ATOM 411 CG GLU A 27 20.994 25.447 -10.767 1.00 0.00 C ATOM 412 CD GLU A 27 20.160 25.782 -12.006 1.00 0.00 C ATOM 413 OE1 GLU A 27 19.324 26.663 -11.875 1.00 0.00 O ATOM 414 OE2 GLU A 27 20.406 25.139 -13.014 1.00 0.00 O ATOM 0 H GLU A 27 17.855 25.754 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 27 18.715 24.225 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.626 26.429 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 20.713 25.306 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.801 26.171 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.458 24.468 -10.883 1.00 0.00 H new ATOM 421 N ASN A 28 19.282 22.610 -8.101 1.00 0.00 N ATOM 422 CA ASN A 28 19.831 21.353 -7.653 1.00 0.00 C ATOM 423 C ASN A 28 19.202 20.304 -8.586 1.00 0.00 C ATOM 424 O ASN A 28 19.058 19.143 -8.249 1.00 0.00 O ATOM 425 CB ASN A 28 19.405 21.097 -6.195 1.00 0.00 C ATOM 426 CG ASN A 28 18.043 20.404 -6.173 1.00 0.00 C ATOM 427 OD1 ASN A 28 17.957 19.195 -5.690 1.00 0.00 O flip ATOM 428 ND2 ASN A 28 17.047 20.955 -6.593 1.00 0.00 N flip ATOM 0 H ASN A 28 18.608 23.052 -7.476 1.00 0.00 H new ATOM 0 HA ASN A 28 20.920 21.329 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.148 20.478 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.354 22.039 -5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.108 21.900 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.148 20.473 -6.567 1.00 0.00 H new ATOM 435 N GLY A 29 18.841 20.795 -9.785 1.00 0.00 N ATOM 436 CA GLY A 29 18.214 19.949 -10.824 1.00 0.00 C ATOM 437 C GLY A 29 16.762 20.424 -11.169 1.00 0.00 C ATOM 438 O GLY A 29 16.231 20.015 -12.185 1.00 0.00 O ATOM 0 H GLY A 29 18.971 21.768 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.826 19.969 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.185 18.915 -10.481 1.00 0.00 H new ATOM 442 N HIS A 30 16.145 21.270 -10.322 1.00 0.00 N ATOM 443 CA HIS A 30 14.733 21.738 -10.645 1.00 0.00 C ATOM 444 C HIS A 30 14.540 23.285 -10.707 1.00 0.00 C ATOM 445 O HIS A 30 15.294 24.051 -10.145 1.00 0.00 O ATOM 446 CB HIS A 30 13.793 21.175 -9.576 1.00 0.00 C ATOM 447 CG HIS A 30 13.126 19.918 -10.132 1.00 0.00 C ATOM 448 ND1 HIS A 30 12.197 19.915 -10.966 1.00 0.00 N ATOM 449 CD2 HIS A 30 13.394 18.588 -9.875 1.00 0.00 C ATOM 450 CE1 HIS A 30 11.845 18.736 -11.266 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.555 17.813 -10.617 1.00 0.00 N ATOM 0 H HIS A 30 16.546 21.638 -9.459 1.00 0.00 H new ATOM 0 HA HIS A 30 14.514 21.373 -11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.349 20.939 -8.669 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.040 21.915 -9.305 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.148 18.221 -9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.058 18.504 -11.969 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.488 16.796 -10.664 1.00 0.00 H new ATOM 459 N VAL A 31 13.550 23.683 -11.481 1.00 0.00 N ATOM 460 CA VAL A 31 13.211 25.139 -11.652 1.00 0.00 C ATOM 461 C VAL A 31 11.668 25.300 -11.450 1.00 0.00 C ATOM 462 O VAL A 31 10.918 24.507 -11.988 1.00 0.00 O ATOM 463 CB VAL A 31 13.591 25.535 -13.085 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.556 24.969 -14.060 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.620 27.058 -13.203 1.00 0.00 C ATOM 0 H VAL A 31 12.953 23.048 -12.010 1.00 0.00 H new ATOM 0 HA VAL A 31 13.742 25.767 -10.937 1.00 0.00 H new ATOM 0 HB VAL A 31 14.576 25.134 -13.324 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.824 25.249 -15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.534 23.882 -13.977 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.572 25.372 -13.820 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.890 27.339 -14.221 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.635 27.460 -12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.355 27.463 -12.508 1.00 0.00 H new ATOM 475 N VAL A 32 11.194 26.301 -10.697 1.00 0.00 N ATOM 476 CA VAL A 32 9.704 26.411 -10.532 1.00 0.00 C ATOM 477 C VAL A 32 9.265 27.836 -10.333 1.00 0.00 C ATOM 478 O VAL A 32 10.066 28.723 -10.137 1.00 0.00 O ATOM 479 CB VAL A 32 9.301 25.614 -9.306 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.807 25.744 -9.052 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.632 24.134 -9.518 1.00 0.00 C ATOM 0 H VAL A 32 11.754 27.006 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 32 9.231 26.031 -11.438 1.00 0.00 H new ATOM 0 HB VAL A 32 9.851 26.005 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.536 25.166 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.555 26.792 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.257 25.368 -9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.341 23.566 -8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.088 23.760 -10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.703 24.021 -9.685 1.00 0.00 H new ATOM 491 N THR A 33 7.983 28.006 -10.355 1.00 0.00 N ATOM 492 CA THR A 33 7.394 29.357 -10.175 1.00 0.00 C ATOM 493 C THR A 33 6.686 29.427 -8.844 1.00 0.00 C ATOM 494 O THR A 33 6.067 28.469 -8.425 1.00 0.00 O ATOM 495 CB THR A 33 6.385 29.612 -11.307 1.00 0.00 C ATOM 496 OG1 THR A 33 6.998 30.569 -12.144 1.00 0.00 O ATOM 497 CG2 THR A 33 5.115 30.314 -10.789 1.00 0.00 C ATOM 0 H THR A 33 7.304 27.257 -10.492 1.00 0.00 H new ATOM 0 HA THR A 33 8.181 30.111 -10.201 1.00 0.00 H new ATOM 0 HB THR A 33 6.124 28.664 -11.777 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.694 30.439 -13.067 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.426 30.477 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.635 29.689 -10.036 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.384 31.273 -10.347 1.00 0.00 H new ATOM 505 N ALA A 34 6.772 30.555 -8.197 1.00 0.00 N ATOM 506 CA ALA A 34 6.099 30.676 -6.890 1.00 0.00 C ATOM 507 C ALA A 34 5.530 32.065 -6.678 1.00 0.00 C ATOM 508 O ALA A 34 5.807 32.978 -7.429 1.00 0.00 O ATOM 509 CB ALA A 34 7.132 30.389 -5.794 1.00 0.00 C ATOM 0 H ALA A 34 7.273 31.384 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 34 5.272 29.967 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.658 30.472 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.527 29.381 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.947 31.109 -5.865 1.00 0.00 H new ATOM 515 N HIS A 35 4.742 32.192 -5.651 1.00 0.00 N ATOM 516 CA HIS A 35 4.129 33.502 -5.349 1.00 0.00 C ATOM 517 C HIS A 35 4.062 33.694 -3.843 1.00 0.00 C ATOM 518 O HIS A 35 3.991 32.728 -3.104 1.00 0.00 O ATOM 519 CB HIS A 35 2.702 33.509 -5.924 1.00 0.00 C ATOM 520 CG HIS A 35 1.933 34.718 -5.382 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.309 36.045 -5.312 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 0.783 34.673 -4.902 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 1.297 36.768 -4.757 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.385 35.819 -4.535 1.00 0.00 N flip ATOM 0 H HIS A 35 4.498 31.439 -5.008 1.00 0.00 H new ATOM 0 HA HIS A 35 4.721 34.305 -5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.738 33.547 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.186 32.587 -5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.199 33.769 -4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.246 37.827 -4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.529 35.996 -4.117 1.00 0.00 H new ATOM 532 N ILE A 36 4.087 34.926 -3.409 1.00 0.00 N ATOM 533 CA ILE A 36 4.028 35.186 -1.944 1.00 0.00 C ATOM 534 C ILE A 36 2.642 35.666 -1.529 1.00 0.00 C ATOM 535 O ILE A 36 1.908 36.216 -2.325 1.00 0.00 O ATOM 536 CB ILE A 36 5.045 36.277 -1.617 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.146 36.457 -0.112 1.00 0.00 C ATOM 538 CG2 ILE A 36 4.567 37.600 -2.235 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.577 36.860 0.246 1.00 0.00 C ATOM 0 H ILE A 36 4.145 35.755 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 36 4.248 34.263 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 36 6.018 35.994 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.445 37.221 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.877 35.531 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.285 38.388 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.481 37.487 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.595 37.865 -1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.659 36.991 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.266 36.080 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.827 37.796 -0.254 1.00 0.00 H new ATOM 551 N SER A 37 2.307 35.446 -0.286 1.00 0.00 N ATOM 552 CA SER A 37 0.982 35.882 0.194 1.00 0.00 C ATOM 553 C SER A 37 1.011 37.359 0.564 1.00 0.00 C ATOM 554 O SER A 37 1.900 38.082 0.161 1.00 0.00 O ATOM 555 CB SER A 37 0.623 35.061 1.444 1.00 0.00 C ATOM 556 OG SER A 37 -0.671 35.525 1.805 1.00 0.00 O ATOM 0 H SER A 37 2.896 34.985 0.408 1.00 0.00 H new ATOM 0 HA SER A 37 0.244 35.730 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.618 33.992 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.342 35.222 2.247 1.00 0.00 H new ATOM 0 HG SER A 37 -1.231 35.588 1.003 1.00 0.00 H new ATOM 562 N GLY A 38 0.041 37.782 1.322 1.00 0.00 N ATOM 563 CA GLY A 38 0.006 39.215 1.723 1.00 0.00 C ATOM 564 C GLY A 38 1.147 39.518 2.695 1.00 0.00 C ATOM 565 O GLY A 38 1.463 40.665 2.949 1.00 0.00 O ATOM 0 H GLY A 38 -0.722 37.206 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.092 39.849 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.951 39.446 2.190 1.00 0.00 H new ATOM 569 N LYS A 39 1.742 38.481 3.223 1.00 0.00 N ATOM 570 CA LYS A 39 2.857 38.693 4.175 1.00 0.00 C ATOM 571 C LYS A 39 3.888 39.639 3.580 1.00 0.00 C ATOM 572 O LYS A 39 4.706 40.195 4.286 1.00 0.00 O ATOM 573 CB LYS A 39 3.523 37.339 4.457 1.00 0.00 C ATOM 574 CG LYS A 39 2.517 36.424 5.157 1.00 0.00 C ATOM 575 CD LYS A 39 2.487 36.757 6.650 1.00 0.00 C ATOM 576 CE LYS A 39 1.585 35.751 7.368 1.00 0.00 C ATOM 577 NZ LYS A 39 1.754 35.858 8.845 1.00 0.00 N ATOM 0 H LYS A 39 1.503 37.507 3.035 1.00 0.00 H new ATOM 0 HA LYS A 39 2.468 39.129 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.860 36.884 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.405 37.477 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.526 36.555 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.794 35.380 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.495 36.721 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.116 37.771 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.544 35.932 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.826 34.740 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.135 35.168 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.744 35.662 9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.501 36.818 9.155 1.00 0.00 H new ATOM 591 N MET A 40 3.830 39.806 2.287 1.00 0.00 N ATOM 592 CA MET A 40 4.790 40.706 1.628 1.00 0.00 C ATOM 593 C MET A 40 4.410 42.156 1.890 1.00 0.00 C ATOM 594 O MET A 40 5.253 42.982 2.181 1.00 0.00 O ATOM 595 CB MET A 40 4.732 40.435 0.115 1.00 0.00 C ATOM 596 CG MET A 40 5.157 41.692 -0.636 1.00 0.00 C ATOM 597 SD MET A 40 5.590 41.511 -2.385 1.00 0.00 S ATOM 598 CE MET A 40 3.906 41.532 -3.045 1.00 0.00 C ATOM 0 H MET A 40 3.157 39.355 1.668 1.00 0.00 H new ATOM 0 HA MET A 40 5.793 40.530 2.016 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.388 39.604 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.722 40.147 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.347 42.418 -0.563 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.016 42.119 -0.119 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.939 41.431 -4.130 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.339 40.704 -2.621 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.424 42.474 -2.783 1.00 0.00 H new ATOM 608 N ARG A 41 3.140 42.435 1.781 1.00 0.00 N ATOM 609 CA ARG A 41 2.673 43.818 2.019 1.00 0.00 C ATOM 610 C ARG A 41 2.913 44.218 3.468 1.00 0.00 C ATOM 611 O ARG A 41 3.170 45.369 3.764 1.00 0.00 O ATOM 612 CB ARG A 41 1.163 43.875 1.733 1.00 0.00 C ATOM 613 CG ARG A 41 0.930 43.848 0.218 1.00 0.00 C ATOM 614 CD ARG A 41 -0.546 43.539 -0.055 1.00 0.00 C ATOM 615 NE ARG A 41 -0.762 43.461 -1.528 1.00 0.00 N ATOM 616 CZ ARG A 41 -0.633 44.539 -2.254 1.00 0.00 C ATOM 617 NH1 ARG A 41 -1.678 45.296 -2.451 1.00 0.00 N ATOM 618 NH2 ARG A 41 0.537 44.821 -2.760 1.00 0.00 N ATOM 0 H ARG A 41 2.412 41.763 1.538 1.00 0.00 H new ATOM 0 HA ARG A 41 3.220 44.501 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.660 43.030 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.734 44.781 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.201 44.808 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.565 43.094 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.827 42.597 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.179 44.314 0.378 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.009 42.573 -1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.577 45.042 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.596 46.142 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.330 44.204 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.658 45.658 -3.330 1.00 0.00 H new ATOM 632 N LYS A 42 2.825 43.256 4.346 1.00 0.00 N ATOM 633 CA LYS A 42 3.041 43.551 5.778 1.00 0.00 C ATOM 634 C LYS A 42 4.523 43.712 6.071 1.00 0.00 C ATOM 635 O LYS A 42 4.912 44.502 6.909 1.00 0.00 O ATOM 636 CB LYS A 42 2.500 42.372 6.604 1.00 0.00 C ATOM 637 CG LYS A 42 1.071 42.055 6.156 1.00 0.00 C ATOM 638 CD LYS A 42 0.111 43.077 6.771 1.00 0.00 C ATOM 639 CE LYS A 42 -1.312 42.782 6.289 1.00 0.00 C ATOM 640 NZ LYS A 42 -1.449 43.102 4.840 1.00 0.00 N ATOM 0 H LYS A 42 2.613 42.282 4.128 1.00 0.00 H new ATOM 0 HA LYS A 42 2.527 44.477 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.137 41.498 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.514 42.620 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.003 42.084 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.795 41.047 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.157 43.029 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.403 44.087 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.550 41.732 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.027 43.369 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.457 43.143 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.005 44.022 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.980 42.365 4.276 1.00 0.00 H new ATOM 654 N ASN A 43 5.328 42.959 5.374 1.00 0.00 N ATOM 655 CA ASN A 43 6.787 43.054 5.597 1.00 0.00 C ATOM 656 C ASN A 43 7.353 44.295 4.926 1.00 0.00 C ATOM 657 O ASN A 43 8.545 44.405 4.720 1.00 0.00 O ATOM 658 CB ASN A 43 7.452 41.812 4.983 1.00 0.00 C ATOM 659 CG ASN A 43 8.887 41.696 5.496 1.00 0.00 C ATOM 660 OD1 ASN A 43 9.833 41.719 4.734 1.00 0.00 O ATOM 661 ND2 ASN A 43 9.096 41.571 6.779 1.00 0.00 N ATOM 0 H ASN A 43 5.035 42.287 4.665 1.00 0.00 H new ATOM 0 HA ASN A 43 6.983 43.114 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.887 40.917 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.448 41.884 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.049 41.493 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.307 41.551 7.425 1.00 0.00 H new ATOM 668 N TYR A 44 6.485 45.213 4.595 1.00 0.00 N ATOM 669 CA TYR A 44 6.958 46.455 3.937 1.00 0.00 C ATOM 670 C TYR A 44 7.649 46.137 2.621 1.00 0.00 C ATOM 671 O TYR A 44 7.343 45.154 1.978 1.00 0.00 O ATOM 672 CB TYR A 44 7.964 47.149 4.867 1.00 0.00 C ATOM 673 CG TYR A 44 7.543 46.932 6.323 1.00 0.00 C ATOM 674 CD1 TYR A 44 6.208 46.937 6.677 1.00 0.00 C ATOM 675 CD2 TYR A 44 8.493 46.725 7.302 1.00 0.00 C ATOM 676 CE1 TYR A 44 5.831 46.738 7.991 1.00 0.00 C ATOM 677 CE2 TYR A 44 8.118 46.526 8.614 1.00 0.00 C ATOM 678 CZ TYR A 44 6.783 46.531 8.970 1.00 0.00 C ATOM 679 OH TYR A 44 6.408 46.333 10.284 1.00 0.00 O ATOM 0 H TYR A 44 5.479 45.154 4.752 1.00 0.00 H new ATOM 0 HA TYR A 44 6.102 47.099 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.964 46.749 4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.007 48.215 4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.453 47.098 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.540 46.719 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.784 46.744 8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.873 46.365 9.369 1.00 0.00 H new ATOM 0 HH TYR A 44 7.207 46.202 10.836 1.00 0.00 H new ATOM 689 N ILE A 45 8.568 46.980 2.246 1.00 0.00 N ATOM 690 CA ILE A 45 9.298 46.750 0.971 1.00 0.00 C ATOM 691 C ILE A 45 9.663 45.278 0.811 1.00 0.00 C ATOM 692 O ILE A 45 9.954 44.599 1.775 1.00 0.00 O ATOM 693 CB ILE A 45 10.581 47.576 0.997 1.00 0.00 C ATOM 694 CG1 ILE A 45 10.241 49.050 1.177 1.00 0.00 C ATOM 695 CG2 ILE A 45 11.302 47.400 -0.349 1.00 0.00 C ATOM 696 CD1 ILE A 45 11.500 49.808 1.601 1.00 0.00 C ATOM 0 H ILE A 45 8.844 47.814 2.764 1.00 0.00 H new ATOM 0 HA ILE A 45 8.660 47.042 0.137 1.00 0.00 H new ATOM 0 HB ILE A 45 11.213 47.244 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.850 49.462 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.461 49.166 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.222 47.984 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.541 46.347 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.655 47.744 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.262 50.864 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.870 49.401 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.266 49.701 0.833 1.00 0.00 H new ATOM 708 N ARG A 46 9.640 44.809 -0.410 1.00 0.00 N ATOM 709 CA ARG A 46 9.982 43.383 -0.651 1.00 0.00 C ATOM 710 C ARG A 46 11.482 43.139 -0.504 1.00 0.00 C ATOM 711 O ARG A 46 12.281 44.039 -0.671 1.00 0.00 O ATOM 712 CB ARG A 46 9.565 43.022 -2.086 1.00 0.00 C ATOM 713 CG ARG A 46 8.183 43.609 -2.375 1.00 0.00 C ATOM 714 CD ARG A 46 7.868 43.434 -3.862 1.00 0.00 C ATOM 715 NE ARG A 46 6.491 43.937 -4.132 1.00 0.00 N ATOM 716 CZ ARG A 46 6.258 45.220 -4.083 1.00 0.00 C ATOM 717 NH1 ARG A 46 6.815 45.998 -4.970 1.00 0.00 N ATOM 718 NH2 ARG A 46 5.474 45.680 -3.147 1.00 0.00 N ATOM 0 H ARG A 46 9.401 45.349 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 46 9.459 42.769 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.294 43.411 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.546 41.939 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.427 43.109 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.159 44.665 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.593 43.979 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.946 42.383 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 46 5.738 43.285 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.422 45.601 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.644 47.003 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.056 45.040 -2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.279 46.680 -3.091 1.00 0.00 H new ATOM 732 N ILE A 47 11.833 41.918 -0.194 1.00 0.00 N ATOM 733 CA ILE A 47 13.271 41.583 -0.031 1.00 0.00 C ATOM 734 C ILE A 47 13.956 41.494 -1.388 1.00 0.00 C ATOM 735 O ILE A 47 13.348 41.114 -2.368 1.00 0.00 O ATOM 736 CB ILE A 47 13.377 40.226 0.665 1.00 0.00 C ATOM 737 CG1 ILE A 47 12.395 40.160 1.834 1.00 0.00 C ATOM 738 CG2 ILE A 47 14.807 40.066 1.208 1.00 0.00 C ATOM 739 CD1 ILE A 47 12.841 41.128 2.934 1.00 0.00 C ATOM 0 H ILE A 47 11.186 41.144 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 47 13.756 42.361 0.558 1.00 0.00 H new ATOM 0 HB ILE A 47 13.144 39.433 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.392 40.417 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.348 39.144 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.900 39.102 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.517 40.117 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.018 40.865 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.140 41.080 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.836 40.851 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.865 42.143 2.538 1.00 0.00 H new ATOM 751 N LEU A 48 15.212 41.846 -1.424 1.00 0.00 N ATOM 752 CA LEU A 48 15.945 41.787 -2.711 1.00 0.00 C ATOM 753 C LEU A 48 15.909 40.385 -3.313 1.00 0.00 C ATOM 754 O LEU A 48 15.800 39.401 -2.611 1.00 0.00 O ATOM 755 CB LEU A 48 17.404 42.170 -2.450 1.00 0.00 C ATOM 756 CG LEU A 48 17.508 43.690 -2.371 1.00 0.00 C ATOM 757 CD1 LEU A 48 17.101 44.297 -3.715 1.00 0.00 C ATOM 758 CD2 LEU A 48 16.565 44.202 -1.282 1.00 0.00 C ATOM 0 H LEU A 48 15.755 42.169 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 48 15.471 42.472 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.752 41.719 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.042 41.789 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 48 18.533 43.975 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.175 45.383 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.764 43.927 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.074 44.014 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.635 45.288 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.541 43.918 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.846 43.766 -0.323 1.00 0.00 H new ATOM 770 N THR A 49 15.999 40.334 -4.611 1.00 0.00 N ATOM 771 CA THR A 49 15.977 39.025 -5.312 1.00 0.00 C ATOM 772 C THR A 49 16.876 38.018 -4.642 1.00 0.00 C ATOM 773 O THR A 49 17.876 38.336 -4.031 1.00 0.00 O ATOM 774 CB THR A 49 16.464 39.247 -6.749 1.00 0.00 C ATOM 775 OG1 THR A 49 16.420 37.981 -7.361 1.00 0.00 O ATOM 776 CG2 THR A 49 17.951 39.632 -6.771 1.00 0.00 C ATOM 0 H THR A 49 16.087 41.148 -5.219 1.00 0.00 H new ATOM 0 HA THR A 49 14.960 38.633 -5.290 1.00 0.00 H new ATOM 0 HB THR A 49 15.861 40.021 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.292 38.089 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.272 39.784 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.097 40.553 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.540 38.833 -6.321 1.00 0.00 H new ATOM 784 N GLY A 50 16.467 36.832 -4.790 1.00 0.00 N ATOM 785 CA GLY A 50 17.164 35.675 -4.232 1.00 0.00 C ATOM 786 C GLY A 50 16.790 35.530 -2.800 1.00 0.00 C ATOM 787 O GLY A 50 17.508 35.933 -1.903 1.00 0.00 O ATOM 0 H GLY A 50 15.622 36.592 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.899 34.773 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.242 35.802 -4.329 1.00 0.00 H new ATOM 791 N ASP A 51 15.655 34.948 -2.625 1.00 0.00 N ATOM 792 CA ASP A 51 15.143 34.717 -1.297 1.00 0.00 C ATOM 793 C ASP A 51 15.279 33.269 -1.022 1.00 0.00 C ATOM 794 O ASP A 51 14.686 32.478 -1.735 1.00 0.00 O ATOM 795 CB ASP A 51 13.659 35.099 -1.253 1.00 0.00 C ATOM 796 CG ASP A 51 13.533 36.621 -1.236 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.425 37.231 -0.669 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.551 37.088 -1.787 1.00 0.00 O ATOM 0 H ASP A 51 15.053 34.618 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 51 15.686 35.310 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.140 34.689 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.188 34.673 -0.367 1.00 0.00 H new ATOM 803 N LYS A 52 16.018 32.890 -0.051 1.00 0.00 N ATOM 804 CA LYS A 52 16.099 31.458 0.163 1.00 0.00 C ATOM 805 C LYS A 52 14.812 31.087 0.850 1.00 0.00 C ATOM 806 O LYS A 52 14.589 31.504 1.967 1.00 0.00 O ATOM 807 CB LYS A 52 17.290 31.140 1.080 1.00 0.00 C ATOM 808 CG LYS A 52 18.420 30.518 0.254 1.00 0.00 C ATOM 809 CD LYS A 52 19.111 31.613 -0.566 1.00 0.00 C ATOM 810 CE LYS A 52 20.168 32.306 0.303 1.00 0.00 C ATOM 811 NZ LYS A 52 21.538 31.850 -0.073 1.00 0.00 N ATOM 0 H LYS A 52 16.551 33.486 0.582 1.00 0.00 H new ATOM 0 HA LYS A 52 16.238 30.909 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.640 32.050 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.982 30.454 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.140 30.031 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.021 29.749 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.578 31.181 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.377 32.340 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.093 33.387 0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.982 32.088 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.240 32.330 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.611 30.822 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.719 32.080 -1.071 1.00 0.00 H new ATOM 825 N VAL A 53 13.968 30.322 0.196 1.00 0.00 N ATOM 826 CA VAL A 53 12.679 29.959 0.874 1.00 0.00 C ATOM 827 C VAL A 53 12.277 28.535 0.675 1.00 0.00 C ATOM 828 O VAL A 53 12.918 27.789 -0.040 1.00 0.00 O ATOM 829 CB VAL A 53 11.557 30.827 0.265 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.067 32.247 0.012 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.129 30.213 -1.073 1.00 0.00 C ATOM 0 H VAL A 53 14.106 29.945 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 53 12.829 30.122 1.941 1.00 0.00 H new ATOM 0 HB VAL A 53 10.716 30.864 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.267 32.850 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.390 32.691 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.908 32.214 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.336 30.817 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.983 30.185 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.763 29.200 -0.908 1.00 0.00 H new ATOM 841 N ARG A 54 11.190 28.176 1.330 1.00 0.00 N ATOM 842 CA ARG A 54 10.701 26.793 1.198 1.00 0.00 C ATOM 843 C ARG A 54 9.624 26.768 0.148 1.00 0.00 C ATOM 844 O ARG A 54 8.615 27.437 0.278 1.00 0.00 O ATOM 845 CB ARG A 54 10.116 26.326 2.535 1.00 0.00 C ATOM 846 CG ARG A 54 9.833 24.824 2.452 1.00 0.00 C ATOM 847 CD ARG A 54 9.648 24.256 3.869 1.00 0.00 C ATOM 848 NE ARG A 54 10.704 24.811 4.764 1.00 0.00 N ATOM 849 CZ ARG A 54 10.523 24.791 6.059 1.00 0.00 C ATOM 850 NH1 ARG A 54 10.766 23.687 6.713 1.00 0.00 N ATOM 851 NH2 ARG A 54 10.107 25.875 6.655 1.00 0.00 N ATOM 0 H ARG A 54 10.640 28.783 1.937 1.00 0.00 H new ATOM 0 HA ARG A 54 11.520 26.132 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.814 26.534 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.199 26.871 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.937 24.645 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.656 24.316 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.660 24.513 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.708 23.168 3.848 1.00 0.00 H new ATOM 0 HE ARG A 54 11.559 25.203 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.091 22.859 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.631 23.652 7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.929 26.719 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.960 25.878 7.664 1.00 0.00 H new ATOM 865 N VAL A 55 9.845 25.998 -0.873 1.00 0.00 N ATOM 866 CA VAL A 55 8.851 25.917 -1.944 1.00 0.00 C ATOM 867 C VAL A 55 8.002 24.671 -1.832 1.00 0.00 C ATOM 868 O VAL A 55 8.510 23.586 -1.622 1.00 0.00 O ATOM 869 CB VAL A 55 9.602 25.859 -3.278 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.781 26.573 -4.348 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.951 26.560 -3.133 1.00 0.00 C ATOM 0 H VAL A 55 10.677 25.423 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 55 8.196 26.786 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 55 9.758 24.819 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.311 26.535 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.813 26.082 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.631 27.613 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.486 26.519 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.792 27.601 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.539 26.061 -2.363 1.00 0.00 H new ATOM 881 N GLU A 56 6.714 24.855 -1.974 1.00 0.00 N ATOM 882 CA GLU A 56 5.794 23.713 -1.889 1.00 0.00 C ATOM 883 C GLU A 56 5.299 23.433 -3.275 1.00 0.00 C ATOM 884 O GLU A 56 4.880 24.338 -3.970 1.00 0.00 O ATOM 885 CB GLU A 56 4.600 24.086 -0.989 1.00 0.00 C ATOM 886 CG GLU A 56 5.112 24.814 0.257 1.00 0.00 C ATOM 887 CD GLU A 56 5.760 23.804 1.203 1.00 0.00 C ATOM 888 OE1 GLU A 56 5.264 22.689 1.226 1.00 0.00 O ATOM 889 OE2 GLU A 56 6.713 24.202 1.850 1.00 0.00 O ATOM 0 H GLU A 56 6.271 25.757 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 56 6.296 22.840 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.903 24.722 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.053 23.188 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.835 25.579 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.289 25.323 0.759 1.00 0.00 H new ATOM 896 N LEU A 57 5.339 22.202 -3.669 1.00 0.00 N ATOM 897 CA LEU A 57 4.868 21.882 -5.025 1.00 0.00 C ATOM 898 C LEU A 57 3.417 21.488 -4.995 1.00 0.00 C ATOM 899 O LEU A 57 3.011 20.632 -4.226 1.00 0.00 O ATOM 900 CB LEU A 57 5.696 20.711 -5.568 1.00 0.00 C ATOM 901 CG LEU A 57 7.178 21.105 -5.578 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.033 19.838 -5.620 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.471 21.946 -6.821 1.00 0.00 C ATOM 0 H LEU A 57 5.674 21.413 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 57 4.982 22.759 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.547 19.826 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.369 20.454 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 57 7.410 21.681 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.088 20.111 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.822 19.228 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.799 19.271 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.524 22.227 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.243 21.366 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.855 22.845 -6.805 1.00 0.00 H new ATOM 915 N THR A 58 2.661 22.124 -5.846 1.00 0.00 N ATOM 916 CA THR A 58 1.213 21.835 -5.917 1.00 0.00 C ATOM 917 C THR A 58 0.969 20.413 -6.421 1.00 0.00 C ATOM 918 O THR A 58 1.807 19.838 -7.076 1.00 0.00 O ATOM 919 CB THR A 58 0.638 22.853 -6.907 1.00 0.00 C ATOM 920 OG1 THR A 58 1.246 22.552 -8.149 1.00 0.00 O ATOM 921 CG2 THR A 58 1.153 24.265 -6.555 1.00 0.00 C ATOM 0 H THR A 58 2.992 22.836 -6.497 1.00 0.00 H new ATOM 0 HA THR A 58 0.743 21.909 -4.936 1.00 0.00 H new ATOM 0 HB THR A 58 -0.451 22.817 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.562 22.255 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.743 24.988 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.839 24.525 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.241 24.280 -6.612 1.00 0.00 H new ATOM 929 N PRO A 59 -0.183 19.856 -6.081 1.00 0.00 N ATOM 930 CA PRO A 59 -0.521 18.508 -6.505 1.00 0.00 C ATOM 931 C PRO A 59 -0.138 18.289 -7.957 1.00 0.00 C ATOM 932 O PRO A 59 0.031 17.169 -8.397 1.00 0.00 O ATOM 933 CB PRO A 59 -2.046 18.410 -6.308 1.00 0.00 C ATOM 934 CG PRO A 59 -2.466 19.640 -5.437 1.00 0.00 C ATOM 935 CD PRO A 59 -1.217 20.534 -5.287 1.00 0.00 C ATOM 0 HA PRO A 59 0.013 17.746 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.562 18.421 -7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.313 17.476 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.279 20.189 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.828 19.316 -4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.404 21.542 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.918 20.627 -4.243 1.00 0.00 H new ATOM 943 N TYR A 60 -0.009 19.367 -8.682 1.00 0.00 N ATOM 944 CA TYR A 60 0.366 19.239 -10.105 1.00 0.00 C ATOM 945 C TYR A 60 1.880 19.087 -10.202 1.00 0.00 C ATOM 946 O TYR A 60 2.392 18.354 -11.024 1.00 0.00 O ATOM 947 CB TYR A 60 -0.066 20.514 -10.841 1.00 0.00 C ATOM 948 CG TYR A 60 -1.254 21.143 -10.106 1.00 0.00 C ATOM 949 CD1 TYR A 60 -2.332 20.371 -9.724 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.260 22.493 -9.813 1.00 0.00 C ATOM 951 CE1 TYR A 60 -3.401 20.939 -9.058 1.00 0.00 C ATOM 952 CE2 TYR A 60 -2.328 23.060 -9.147 1.00 0.00 C ATOM 953 CZ TYR A 60 -3.407 22.288 -8.764 1.00 0.00 C ATOM 954 OH TYR A 60 -4.472 22.857 -8.095 1.00 0.00 O ATOM 0 H TYR A 60 -0.147 20.321 -8.347 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.120 18.371 -10.551 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.763 21.220 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.342 20.279 -11.869 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.340 19.314 -9.947 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.423 23.109 -10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.238 20.323 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.320 24.117 -8.924 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.307 23.815 -7.972 1.00 0.00 H new ATOM 964 N ASP A 61 2.562 19.795 -9.339 1.00 0.00 N ATOM 965 CA ASP A 61 4.045 19.737 -9.318 1.00 0.00 C ATOM 966 C ASP A 61 4.649 19.809 -10.712 1.00 0.00 C ATOM 967 O ASP A 61 5.622 19.137 -10.991 1.00 0.00 O ATOM 968 CB ASP A 61 4.456 18.400 -8.673 1.00 0.00 C ATOM 969 CG ASP A 61 5.979 18.339 -8.548 1.00 0.00 C ATOM 970 OD1 ASP A 61 6.567 19.409 -8.574 1.00 0.00 O ATOM 971 OD2 ASP A 61 6.471 17.226 -8.434 1.00 0.00 O ATOM 0 H ASP A 61 2.146 20.415 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 61 4.413 20.595 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.996 18.302 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.097 17.567 -9.277 1.00 0.00 H new ATOM 976 N LEU A 62 4.079 20.622 -11.566 1.00 0.00 N ATOM 977 CA LEU A 62 4.644 20.715 -12.930 1.00 0.00 C ATOM 978 C LEU A 62 5.603 21.891 -13.040 1.00 0.00 C ATOM 979 O LEU A 62 6.790 21.711 -13.226 1.00 0.00 O ATOM 980 CB LEU A 62 3.495 20.940 -13.939 1.00 0.00 C ATOM 981 CG LEU A 62 2.156 21.005 -13.207 1.00 0.00 C ATOM 982 CD1 LEU A 62 1.962 22.417 -12.598 1.00 0.00 C ATOM 983 CD2 LEU A 62 1.048 20.722 -14.217 1.00 0.00 C ATOM 0 H LEU A 62 3.267 21.209 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 62 5.179 19.790 -13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.662 21.865 -14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.479 20.132 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 62 2.129 20.270 -12.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.006 22.460 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.769 22.624 -11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.975 23.161 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.080 20.763 -13.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.079 21.470 -15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.192 19.731 -14.647 1.00 0.00 H new ATOM 995 N SER A 63 5.064 23.081 -12.924 1.00 0.00 N ATOM 996 CA SER A 63 5.919 24.291 -13.015 1.00 0.00 C ATOM 997 C SER A 63 5.549 25.327 -11.960 1.00 0.00 C ATOM 998 O SER A 63 6.156 26.375 -11.908 1.00 0.00 O ATOM 999 CB SER A 63 5.721 24.919 -14.405 1.00 0.00 C ATOM 1000 OG SER A 63 6.539 26.081 -14.379 1.00 0.00 O ATOM 0 H SER A 63 4.071 23.260 -12.771 1.00 0.00 H new ATOM 0 HA SER A 63 6.954 23.993 -12.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.024 24.236 -15.198 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.676 25.171 -14.584 1.00 0.00 H new ATOM 0 HG SER A 63 6.847 26.244 -13.463 1.00 0.00 H new ATOM 1006 N LYS A 64 4.557 25.021 -11.135 1.00 0.00 N ATOM 1007 CA LYS A 64 4.149 26.013 -10.085 1.00 0.00 C ATOM 1008 C LYS A 64 4.281 25.490 -8.652 1.00 0.00 C ATOM 1009 O LYS A 64 4.117 24.306 -8.363 1.00 0.00 O ATOM 1010 CB LYS A 64 2.672 26.383 -10.323 1.00 0.00 C ATOM 1011 CG LYS A 64 2.431 26.611 -11.820 1.00 0.00 C ATOM 1012 CD LYS A 64 0.924 26.614 -12.086 1.00 0.00 C ATOM 1013 CE LYS A 64 0.641 27.399 -13.367 1.00 0.00 C ATOM 1014 NZ LYS A 64 1.364 26.794 -14.520 1.00 0.00 N ATOM 0 H LYS A 64 4.029 24.148 -11.147 1.00 0.00 H new ATOM 0 HA LYS A 64 4.821 26.866 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.024 25.586 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.418 27.283 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.871 27.558 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.915 25.827 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.558 25.592 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.395 27.063 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.431 27.407 -13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.950 28.437 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.997 27.192 -15.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.380 27.003 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.221 25.764 -14.517 1.00 0.00 H new ATOM 1028 N GLY A 65 4.545 26.423 -7.782 1.00 0.00 N ATOM 1029 CA GLY A 65 4.708 26.112 -6.348 1.00 0.00 C ATOM 1030 C GLY A 65 4.404 27.382 -5.558 1.00 0.00 C ATOM 1031 O GLY A 65 3.905 28.330 -6.115 1.00 0.00 O ATOM 0 H GLY A 65 4.656 27.409 -8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.034 25.308 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.722 25.769 -6.144 1.00 0.00 H new ATOM 1035 N ARG A 66 4.639 27.357 -4.282 1.00 0.00 N ATOM 1036 CA ARG A 66 4.360 28.585 -3.466 1.00 0.00 C ATOM 1037 C ARG A 66 5.488 28.832 -2.467 1.00 0.00 C ATOM 1038 O ARG A 66 6.234 27.937 -2.159 1.00 0.00 O ATOM 1039 CB ARG A 66 3.037 28.388 -2.702 1.00 0.00 C ATOM 1040 CG ARG A 66 2.979 26.969 -2.143 1.00 0.00 C ATOM 1041 CD ARG A 66 1.552 26.674 -1.676 1.00 0.00 C ATOM 1042 NE ARG A 66 0.745 26.225 -2.845 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.558 26.282 -2.787 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -1.120 26.813 -1.736 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.255 25.807 -3.782 1.00 0.00 N ATOM 0 H ARG A 66 5.006 26.558 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 66 4.288 29.445 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.961 29.113 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.191 28.563 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.281 26.251 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.676 26.863 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.559 25.904 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.109 27.565 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 66 1.207 25.876 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.543 27.175 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.137 26.866 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.781 25.400 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.274 25.843 -3.754 1.00 0.00 H new ATOM 1059 N ILE A 67 5.583 30.049 -1.968 1.00 0.00 N ATOM 1060 CA ILE A 67 6.673 30.361 -0.982 1.00 0.00 C ATOM 1061 C ILE A 67 6.135 30.435 0.442 1.00 0.00 C ATOM 1062 O ILE A 67 5.139 31.082 0.695 1.00 0.00 O ATOM 1063 CB ILE A 67 7.245 31.732 -1.349 1.00 0.00 C ATOM 1064 CG1 ILE A 67 7.883 31.672 -2.729 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.322 32.116 -0.327 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.728 32.928 -2.951 1.00 0.00 C ATOM 0 H ILE A 67 4.964 30.826 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 67 7.426 29.574 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 67 6.441 32.468 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.505 30.781 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.112 31.598 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.734 33.092 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.880 32.158 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.118 31.371 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.187 32.888 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.093 33.811 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.508 32.981 -2.191 1.00 0.00 H new ATOM 1078 N THR A 68 6.809 29.768 1.364 1.00 0.00 N ATOM 1079 CA THR A 68 6.345 29.803 2.733 1.00 0.00 C ATOM 1080 C THR A 68 7.446 29.341 3.666 1.00 0.00 C ATOM 1081 O THR A 68 7.535 28.186 4.017 1.00 0.00 O ATOM 1082 CB THR A 68 5.148 28.864 2.867 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.118 28.488 4.228 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.395 27.555 2.107 1.00 0.00 C ATOM 0 H THR A 68 7.650 29.215 1.196 1.00 0.00 H new ATOM 0 HA THR A 68 6.060 30.822 2.996 1.00 0.00 H new ATOM 0 HB THR A 68 4.249 29.356 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.816 27.822 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.529 26.902 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.554 27.772 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.277 27.060 2.513 1.00 0.00 H new ATOM 1092 N TYR A 69 8.237 30.300 4.009 1.00 0.00 N ATOM 1093 CA TYR A 69 9.423 30.137 4.943 1.00 0.00 C ATOM 1094 C TYR A 69 10.649 30.699 4.272 1.00 0.00 C ATOM 1095 O TYR A 69 11.526 29.972 3.861 1.00 0.00 O ATOM 1096 CB TYR A 69 9.685 28.661 5.305 1.00 0.00 C ATOM 1097 CG TYR A 69 10.946 28.569 6.177 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.934 29.042 7.477 1.00 0.00 C ATOM 1099 CD2 TYR A 69 12.103 28.000 5.685 1.00 0.00 C ATOM 1100 CE1 TYR A 69 12.061 28.944 8.269 1.00 0.00 C ATOM 1101 CE2 TYR A 69 13.230 27.902 6.480 1.00 0.00 C ATOM 1102 CZ TYR A 69 13.218 28.372 7.777 1.00 0.00 C ATOM 1103 OH TYR A 69 14.343 28.267 8.570 1.00 0.00 O ATOM 0 H TYR A 69 8.121 31.255 3.671 1.00 0.00 H new ATOM 0 HA TYR A 69 9.196 30.670 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.829 28.248 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.812 28.069 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.036 29.491 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.128 27.628 4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.038 29.318 9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 69 14.128 27.453 6.082 1.00 0.00 H new ATOM 0 HH TYR A 69 15.063 27.838 8.062 1.00 0.00 H new ATOM 1113 N ARG A 70 10.681 32.004 4.175 1.00 0.00 N ATOM 1114 CA ARG A 70 11.823 32.671 3.537 1.00 0.00 C ATOM 1115 C ARG A 70 12.970 32.835 4.509 1.00 0.00 C ATOM 1116 O ARG A 70 12.766 33.024 5.692 1.00 0.00 O ATOM 1117 CB ARG A 70 11.360 34.063 3.053 1.00 0.00 C ATOM 1118 CG ARG A 70 12.557 35.019 3.019 1.00 0.00 C ATOM 1119 CD ARG A 70 12.153 36.310 2.297 1.00 0.00 C ATOM 1120 NE ARG A 70 10.894 36.835 2.905 1.00 0.00 N ATOM 1121 CZ ARG A 70 10.173 37.707 2.246 1.00 0.00 C ATOM 1122 NH1 ARG A 70 9.501 37.311 1.198 1.00 0.00 N ATOM 1123 NH2 ARG A 70 10.146 38.945 2.661 1.00 0.00 N ATOM 0 H ARG A 70 9.952 32.629 4.518 1.00 0.00 H new ATOM 0 HA ARG A 70 12.172 32.064 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.916 33.985 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.589 34.453 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.887 35.244 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.397 34.550 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.948 37.051 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.006 36.117 1.234 1.00 0.00 H new ATOM 0 HE ARG A 70 10.598 36.516 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.543 36.335 0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.934 37.978 0.674 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.681 39.218 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.590 39.639 2.161 1.00 0.00 H new ATOM 1137 N ALA A 71 14.154 32.753 3.988 1.00 0.00 N ATOM 1138 CA ALA A 71 15.336 32.897 4.840 1.00 0.00 C ATOM 1139 C ALA A 71 16.432 33.665 4.115 1.00 0.00 C ATOM 1140 O ALA A 71 16.510 33.643 2.897 1.00 0.00 O ATOM 1141 CB ALA A 71 15.838 31.495 5.181 1.00 0.00 C ATOM 0 H ALA A 71 14.347 32.591 3.000 1.00 0.00 H new ATOM 0 HA ALA A 71 15.075 33.450 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 71 16.720 31.569 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.057 30.947 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.096 30.967 4.263 1.00 0.00 H new ATOM 1147 N ARG A 72 17.258 34.330 4.877 1.00 0.00 N ATOM 1148 CA ARG A 72 18.361 35.111 4.263 1.00 0.00 C ATOM 1149 C ARG A 72 19.684 34.357 4.368 1.00 0.00 C ATOM 1150 O ARG A 72 20.479 34.528 3.456 1.00 0.00 O ATOM 1151 CB ARG A 72 18.482 36.439 5.027 1.00 0.00 C ATOM 1152 CG ARG A 72 18.201 36.189 6.512 1.00 0.00 C ATOM 1153 CD ARG A 72 18.657 37.405 7.319 1.00 0.00 C ATOM 1154 NE ARG A 72 18.051 38.631 6.728 1.00 0.00 N ATOM 1155 CZ ARG A 72 16.803 38.916 6.980 1.00 0.00 C ATOM 1156 NH1 ARG A 72 15.874 38.415 6.210 1.00 0.00 N ATOM 1157 NH2 ARG A 72 16.524 39.690 7.993 1.00 0.00 N ATOM 1158 OXT ARG A 72 19.827 33.650 5.351 1.00 0.00 O ATOM 0 H ARG A 72 17.214 34.364 5.895 1.00 0.00 H new ATOM 0 HA ARG A 72 18.143 35.279 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.480 36.858 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.777 37.168 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.137 36.011 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.727 35.295 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.356 37.300 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.744 37.479 7.308 1.00 0.00 H new ATOM 0 HE ARG A 72 18.607 39.243 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.130 37.812 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.893 38.626 6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.276 40.062 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.554 39.923 8.205 1.00 0.00 H new TER 1172 ARG A 72