USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 458 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 4 ASN : amide:sc= -4.36! C(o=-6.7!,f=-6.2!) USER MOD Set 1.2: A 25 GLN : amide:sc= -2.3! C(o=-6.7!,f=-9.2!) USER MOD Single : A 1 CYS N :NH3+ -146:sc= -0.909 (180deg=-1.56!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0126 USER MOD Single : A 2 SER OG : rot -112:sc= 1.16 USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= -0.535 (180deg=-1.78!) USER MOD Single : A 6 LYS NZ :NH3+ -115:sc= -1.03 (180deg=-3.14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0065 USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.614 USER MOD Single : A 20 SER OG : rot -130:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.329 F(o=-1.2,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 0.0261 (180deg=-0.992) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -2.19 F(o=-7.8!,f=-2.2) USER MOD Single : A 54 GLN : amide:sc= -1.03 X(o=-1,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 45.224 -21.943 -3.225 1.00 1.00 N ATOM 2 CA CYS A 1 43.981 -21.699 -4.009 1.00 1.00 C ATOM 3 C CYS A 1 42.994 -20.917 -3.150 1.00 1.00 C ATOM 4 O CYS A 1 42.159 -21.502 -2.463 1.00 1.00 O ATOM 5 CB CYS A 1 43.368 -23.042 -4.413 1.00 1.00 C ATOM 6 SG CYS A 1 44.661 -24.116 -5.086 1.00 1.00 S ATOM 0 H1 CYS A 1 46.046 -21.924 -3.862 1.00 1.00 H new ATOM 0 H2 CYS A 1 45.330 -21.203 -2.502 1.00 1.00 H new ATOM 0 H3 CYS A 1 45.166 -22.873 -2.762 1.00 1.00 H new ATOM 0 HA CYS A 1 44.213 -21.125 -4.906 1.00 1.00 H new ATOM 0 HB2 CYS A 1 42.900 -23.515 -3.550 1.00 1.00 H new ATOM 0 HB3 CYS A 1 42.585 -22.888 -5.155 1.00 1.00 H new ATOM 0 HG CYS A 1 44.142 -25.258 -5.428 1.00 1.00 H new ATOM 14 N SER A 2 43.097 -19.591 -3.182 1.00 1.00 N ATOM 15 CA SER A 2 42.202 -18.753 -2.389 1.00 1.00 C ATOM 16 C SER A 2 40.809 -18.706 -3.006 1.00 1.00 C ATOM 17 O SER A 2 39.828 -18.407 -2.327 1.00 1.00 O ATOM 18 CB SER A 2 42.786 -17.337 -2.249 1.00 1.00 C ATOM 19 OG SER A 2 43.753 -17.332 -1.206 1.00 1.00 O ATOM 0 H SER A 2 43.781 -19.079 -3.740 1.00 1.00 H new ATOM 0 HA SER A 2 42.111 -19.191 -1.395 1.00 1.00 H new ATOM 0 HB2 SER A 2 43.244 -17.025 -3.188 1.00 1.00 H new ATOM 0 HB3 SER A 2 41.992 -16.623 -2.029 1.00 1.00 H new ATOM 0 HG SER A 2 43.419 -16.802 -0.453 1.00 1.00 H new ATOM 25 N LYS A 3 40.749 -19.016 -4.289 1.00 1.00 N ATOM 26 CA LYS A 3 39.486 -19.028 -5.049 1.00 1.00 C ATOM 27 C LYS A 3 38.500 -17.991 -4.522 1.00 1.00 C ATOM 28 O LYS A 3 37.286 -18.179 -4.584 1.00 1.00 O ATOM 29 CB LYS A 3 38.838 -20.414 -5.011 1.00 1.00 C ATOM 30 CG LYS A 3 38.691 -20.891 -3.563 1.00 1.00 C ATOM 31 CD LYS A 3 37.930 -22.227 -3.537 1.00 1.00 C ATOM 32 CE LYS A 3 36.486 -22.039 -4.038 1.00 1.00 C ATOM 33 NZ LYS A 3 36.413 -22.393 -5.485 1.00 1.00 N ATOM 0 H LYS A 3 41.567 -19.268 -4.844 1.00 1.00 H new ATOM 0 HA LYS A 3 39.734 -18.775 -6.080 1.00 1.00 H new ATOM 0 HB2 LYS A 3 37.860 -20.379 -5.491 1.00 1.00 H new ATOM 0 HB3 LYS A 3 39.445 -21.122 -5.575 1.00 1.00 H new ATOM 0 HG2 LYS A 3 39.674 -21.011 -3.107 1.00 1.00 H new ATOM 0 HG3 LYS A 3 38.156 -20.144 -2.976 1.00 1.00 H new ATOM 0 HD2 LYS A 3 38.445 -22.957 -4.161 1.00 1.00 H new ATOM 0 HD3 LYS A 3 37.920 -22.626 -2.523 1.00 1.00 H new ATOM 0 HE2 LYS A 3 35.806 -22.668 -3.464 1.00 1.00 H new ATOM 0 HE3 LYS A 3 36.169 -21.007 -3.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 35.921 -21.637 -6.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 37.375 -22.503 -5.864 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 35.892 -23.286 -5.598 1.00 1.00 H new ATOM 47 N ASN A 4 39.044 -16.899 -4.015 1.00 1.00 N ATOM 48 CA ASN A 4 38.233 -15.798 -3.475 1.00 1.00 C ATOM 49 C ASN A 4 37.692 -16.141 -2.081 1.00 1.00 C ATOM 50 O ASN A 4 37.250 -15.257 -1.347 1.00 1.00 O ATOM 51 CB ASN A 4 37.076 -15.470 -4.458 1.00 1.00 C ATOM 52 CG ASN A 4 35.743 -16.080 -4.003 1.00 1.00 C ATOM 53 OD1 ASN A 4 35.199 -15.680 -2.974 1.00 1.00 O ATOM 54 ND2 ASN A 4 35.183 -17.027 -4.711 1.00 1.00 N ATOM 0 H ASN A 4 40.050 -16.741 -3.961 1.00 1.00 H new ATOM 0 HA ASN A 4 38.865 -14.916 -3.369 1.00 1.00 H new ATOM 0 HB2 ASN A 4 36.969 -14.389 -4.544 1.00 1.00 H new ATOM 0 HB3 ASN A 4 37.326 -15.845 -5.450 1.00 1.00 H new ATOM 0 HD21 ASN A 4 34.297 -17.433 -4.410 1.00 1.00 H new ATOM 0 HD22 ASN A 4 35.633 -17.360 -5.564 1.00 1.00 H new ATOM 61 N ARG A 5 37.723 -17.420 -1.729 1.00 1.00 N ATOM 62 CA ARG A 5 37.227 -17.861 -0.429 1.00 1.00 C ATOM 63 C ARG A 5 38.057 -17.272 0.708 1.00 1.00 C ATOM 64 O ARG A 5 37.516 -16.911 1.755 1.00 1.00 O ATOM 65 CB ARG A 5 37.265 -19.394 -0.347 1.00 1.00 C ATOM 66 CG ARG A 5 36.185 -20.012 -1.254 1.00 1.00 C ATOM 67 CD ARG A 5 34.832 -20.050 -0.529 1.00 1.00 C ATOM 68 NE ARG A 5 33.829 -20.712 -1.363 1.00 1.00 N ATOM 69 CZ ARG A 5 33.052 -20.023 -2.198 1.00 1.00 C ATOM 70 NH1 ARG A 5 33.206 -18.733 -2.324 1.00 1.00 N ATOM 71 NH2 ARG A 5 32.142 -20.640 -2.900 1.00 1.00 N ATOM 0 H ARG A 5 38.084 -18.168 -2.321 1.00 1.00 H new ATOM 0 HA ARG A 5 36.200 -17.510 -0.325 1.00 1.00 H new ATOM 0 HB2 ARG A 5 38.249 -19.755 -0.646 1.00 1.00 H new ATOM 0 HB3 ARG A 5 37.108 -19.712 0.684 1.00 1.00 H new ATOM 0 HG2 ARG A 5 36.096 -19.431 -2.172 1.00 1.00 H new ATOM 0 HG3 ARG A 5 36.478 -21.021 -1.543 1.00 1.00 H new ATOM 0 HD2 ARG A 5 34.934 -20.579 0.419 1.00 1.00 H new ATOM 0 HD3 ARG A 5 34.508 -19.036 -0.295 1.00 1.00 H new ATOM 0 HE ARG A 5 33.722 -21.725 -1.304 1.00 1.00 H new ATOM 0 HH11 ARG A 5 33.923 -18.250 -1.783 1.00 1.00 H new ATOM 0 HH12 ARG A 5 32.610 -18.208 -2.964 1.00 1.00 H new ATOM 0 HH21 ARG A 5 32.025 -21.649 -2.810 1.00 1.00 H new ATOM 0 HH22 ARG A 5 31.547 -20.113 -3.539 1.00 1.00 H new ATOM 85 N LYS A 6 39.371 -17.182 0.509 1.00 1.00 N ATOM 86 CA LYS A 6 40.259 -16.639 1.543 1.00 1.00 C ATOM 87 C LYS A 6 41.260 -15.657 0.938 1.00 1.00 C ATOM 88 O LYS A 6 42.194 -16.058 0.242 1.00 1.00 O ATOM 89 CB LYS A 6 41.014 -17.787 2.227 1.00 1.00 C ATOM 90 CG LYS A 6 40.004 -18.769 2.829 1.00 1.00 C ATOM 91 CD LYS A 6 40.746 -19.886 3.576 1.00 1.00 C ATOM 92 CE LYS A 6 41.591 -20.715 2.595 1.00 1.00 C ATOM 93 NZ LYS A 6 42.943 -20.101 2.472 1.00 1.00 N ATOM 0 H LYS A 6 39.843 -17.473 -0.347 1.00 1.00 H new ATOM 0 HA LYS A 6 39.652 -16.107 2.276 1.00 1.00 H new ATOM 0 HB2 LYS A 6 41.651 -18.299 1.506 1.00 1.00 H new ATOM 0 HB3 LYS A 6 41.667 -17.395 3.007 1.00 1.00 H new ATOM 0 HG2 LYS A 6 39.335 -18.244 3.512 1.00 1.00 H new ATOM 0 HG3 LYS A 6 39.384 -19.196 2.041 1.00 1.00 H new ATOM 0 HD2 LYS A 6 41.388 -19.455 4.344 1.00 1.00 H new ATOM 0 HD3 LYS A 6 40.029 -20.531 4.084 1.00 1.00 H new ATOM 0 HE2 LYS A 6 41.676 -21.743 2.948 1.00 1.00 H new ATOM 0 HE3 LYS A 6 41.105 -20.752 1.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 43.079 -19.752 1.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 43.026 -19.308 3.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 43.669 -20.814 2.688 1.00 1.00 H new ATOM 107 N ALA A 7 41.072 -14.368 1.222 1.00 1.00 N ATOM 108 CA ALA A 7 41.988 -13.345 0.704 1.00 1.00 C ATOM 109 C ALA A 7 43.336 -13.466 1.400 1.00 1.00 C ATOM 110 O ALA A 7 44.297 -12.786 1.040 1.00 1.00 O ATOM 111 CB ALA A 7 41.431 -11.925 0.905 1.00 1.00 C ATOM 0 H ALA A 7 40.309 -14.009 1.797 1.00 1.00 H new ATOM 0 HA ALA A 7 42.102 -13.512 -0.367 1.00 1.00 H new ATOM 0 HB1 ALA A 7 42.139 -11.197 0.508 1.00 1.00 H new ATOM 0 HB2 ALA A 7 40.480 -11.830 0.381 1.00 1.00 H new ATOM 0 HB3 ALA A 7 41.279 -11.741 1.969 1.00 1.00 H new ATOM 117 N LYS A 8 43.393 -14.340 2.401 1.00 1.00 N ATOM 118 CA LYS A 8 44.633 -14.553 3.153 1.00 1.00 C ATOM 119 C LYS A 8 45.692 -15.171 2.241 1.00 1.00 C ATOM 120 O LYS A 8 45.347 -15.816 1.252 1.00 1.00 O ATOM 121 CB LYS A 8 44.384 -15.493 4.350 1.00 1.00 C ATOM 122 CG LYS A 8 43.084 -15.102 5.059 1.00 1.00 C ATOM 123 CD LYS A 8 42.941 -15.901 6.362 1.00 1.00 C ATOM 124 CE LYS A 8 42.615 -17.366 6.052 1.00 1.00 C ATOM 125 NZ LYS A 8 42.251 -18.071 7.314 1.00 1.00 N ATOM 0 H LYS A 8 42.605 -14.909 2.711 1.00 1.00 H new ATOM 0 HA LYS A 8 44.982 -13.589 3.523 1.00 1.00 H new ATOM 0 HB2 LYS A 8 44.324 -16.526 4.006 1.00 1.00 H new ATOM 0 HB3 LYS A 8 45.220 -15.437 5.047 1.00 1.00 H new ATOM 0 HG2 LYS A 8 43.084 -14.034 5.275 1.00 1.00 H new ATOM 0 HG3 LYS A 8 42.232 -15.295 4.408 1.00 1.00 H new ATOM 0 HD2 LYS A 8 43.865 -15.840 6.937 1.00 1.00 H new ATOM 0 HD3 LYS A 8 42.153 -15.468 6.978 1.00 1.00 H new ATOM 0 HE2 LYS A 8 41.792 -17.424 5.340 1.00 1.00 H new ATOM 0 HE3 LYS A 8 43.474 -17.850 5.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 42.030 -19.065 7.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 43.049 -18.027 7.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 41.420 -17.614 7.740 1.00 1.00 H new ATOM 139 N ALA A 9 46.974 -14.948 2.581 1.00 1.00 N ATOM 140 CA ALA A 9 48.116 -15.469 1.808 1.00 1.00 C ATOM 141 C ALA A 9 48.691 -14.377 0.916 1.00 1.00 C ATOM 142 O ALA A 9 47.968 -13.496 0.446 1.00 1.00 O ATOM 143 CB ALA A 9 47.733 -16.696 0.962 1.00 1.00 C ATOM 0 H ALA A 9 47.247 -14.402 3.398 1.00 1.00 H new ATOM 0 HA ALA A 9 48.873 -15.789 2.524 1.00 1.00 H new ATOM 0 HB1 ALA A 9 48.606 -17.044 0.410 1.00 1.00 H new ATOM 0 HB2 ALA A 9 47.376 -17.492 1.616 1.00 1.00 H new ATOM 0 HB3 ALA A 9 46.946 -16.422 0.260 1.00 1.00 H new ATOM 149 N LYS A 10 49.999 -14.438 0.696 1.00 1.00 N ATOM 150 CA LYS A 10 50.679 -13.452 -0.130 1.00 1.00 C ATOM 151 C LYS A 10 52.091 -13.941 -0.478 1.00 1.00 C ATOM 152 O LYS A 10 52.516 -13.844 -1.629 1.00 1.00 O ATOM 153 CB LYS A 10 50.729 -12.090 0.615 1.00 1.00 C ATOM 154 CG LYS A 10 50.018 -10.994 -0.199 1.00 1.00 C ATOM 155 CD LYS A 10 49.861 -9.731 0.656 1.00 1.00 C ATOM 156 CE LYS A 10 51.221 -9.056 0.864 1.00 1.00 C ATOM 157 NZ LYS A 10 51.006 -7.664 1.354 1.00 1.00 N ATOM 0 H LYS A 10 50.609 -15.161 1.079 1.00 1.00 H new ATOM 0 HA LYS A 10 50.129 -13.316 -1.061 1.00 1.00 H new ATOM 0 HB2 LYS A 10 50.256 -12.188 1.592 1.00 1.00 H new ATOM 0 HB3 LYS A 10 51.766 -11.804 0.790 1.00 1.00 H new ATOM 0 HG2 LYS A 10 50.591 -10.767 -1.098 1.00 1.00 H new ATOM 0 HG3 LYS A 10 49.040 -11.347 -0.525 1.00 1.00 H new ATOM 0 HD2 LYS A 10 49.174 -9.038 0.170 1.00 1.00 H new ATOM 0 HD3 LYS A 10 49.424 -9.989 1.621 1.00 1.00 H new ATOM 0 HE2 LYS A 10 51.815 -9.620 1.583 1.00 1.00 H new ATOM 0 HE3 LYS A 10 51.781 -9.043 -0.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 51.926 -7.200 1.497 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 50.455 -7.130 0.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 50.487 -7.689 2.255 1.00 1.00 H new ATOM 171 N PRO A 11 52.821 -14.467 0.479 1.00 1.00 N ATOM 172 CA PRO A 11 54.202 -14.981 0.232 1.00 1.00 C ATOM 173 C PRO A 11 54.206 -16.098 -0.799 1.00 1.00 C ATOM 174 O PRO A 11 53.301 -16.930 -0.842 1.00 1.00 O ATOM 175 CB PRO A 11 54.678 -15.464 1.617 1.00 1.00 C ATOM 176 CG PRO A 11 53.779 -14.774 2.598 1.00 1.00 C ATOM 177 CD PRO A 11 52.435 -14.621 1.891 1.00 1.00 C ATOM 0 HA PRO A 11 54.864 -14.221 -0.184 1.00 1.00 H new ATOM 0 HB2 PRO A 11 54.601 -16.548 1.705 1.00 1.00 H new ATOM 0 HB3 PRO A 11 55.723 -15.204 1.788 1.00 1.00 H new ATOM 0 HG2 PRO A 11 53.676 -15.358 3.512 1.00 1.00 H new ATOM 0 HG3 PRO A 11 54.184 -13.803 2.884 1.00 1.00 H new ATOM 0 HD2 PRO A 11 51.797 -15.492 2.043 1.00 1.00 H new ATOM 0 HD3 PRO A 11 51.883 -13.755 2.256 1.00 1.00 H new ATOM 185 N VAL A 12 55.236 -16.095 -1.629 1.00 1.00 N ATOM 186 CA VAL A 12 55.371 -17.095 -2.670 1.00 1.00 C ATOM 187 C VAL A 12 55.343 -18.479 -2.056 1.00 1.00 C ATOM 188 O VAL A 12 54.726 -19.407 -2.582 1.00 1.00 O ATOM 189 CB VAL A 12 56.691 -16.864 -3.422 1.00 1.00 C ATOM 190 CG1 VAL A 12 56.499 -15.795 -4.507 1.00 1.00 C ATOM 191 CG2 VAL A 12 57.762 -16.380 -2.437 1.00 1.00 C ATOM 0 H VAL A 12 55.991 -15.409 -1.600 1.00 1.00 H new ATOM 0 HA VAL A 12 54.542 -17.013 -3.373 1.00 1.00 H new ATOM 0 HB VAL A 12 57.002 -17.801 -3.884 1.00 1.00 H new ATOM 0 HG11 VAL A 12 57.440 -15.639 -5.034 1.00 1.00 H new ATOM 0 HG12 VAL A 12 55.738 -16.126 -5.214 1.00 1.00 H new ATOM 0 HG13 VAL A 12 56.182 -14.860 -4.045 1.00 1.00 H new ATOM 0 HG21 VAL A 12 58.699 -16.216 -2.970 1.00 1.00 H new ATOM 0 HG22 VAL A 12 57.438 -15.447 -1.977 1.00 1.00 H new ATOM 0 HG23 VAL A 12 57.912 -17.133 -1.663 1.00 1.00 H new ATOM 201 N THR A 13 56.005 -18.586 -0.933 1.00 1.00 N ATOM 202 CA THR A 13 56.070 -19.835 -0.198 1.00 1.00 C ATOM 203 C THR A 13 54.694 -20.214 0.332 1.00 1.00 C ATOM 204 O THR A 13 54.350 -21.395 0.394 1.00 1.00 O ATOM 205 CB THR A 13 57.039 -19.694 0.976 1.00 1.00 C ATOM 206 OG1 THR A 13 56.737 -18.507 1.696 1.00 1.00 O ATOM 207 CG2 THR A 13 58.476 -19.632 0.460 1.00 1.00 C ATOM 0 H THR A 13 56.514 -17.816 -0.499 1.00 1.00 H new ATOM 0 HA THR A 13 56.419 -20.616 -0.874 1.00 1.00 H new ATOM 0 HB THR A 13 56.936 -20.556 1.635 1.00 1.00 H new ATOM 0 HG1 THR A 13 57.356 -18.415 2.450 1.00 1.00 H new ATOM 0 HG21 THR A 13 59.161 -19.532 1.302 1.00 1.00 H new ATOM 0 HG22 THR A 13 58.706 -20.546 -0.088 1.00 1.00 H new ATOM 0 HG23 THR A 13 58.588 -18.774 -0.203 1.00 1.00 H new ATOM 215 N ARG A 14 53.913 -19.212 0.734 1.00 1.00 N ATOM 216 CA ARG A 14 52.580 -19.500 1.279 1.00 1.00 C ATOM 217 C ARG A 14 51.661 -20.089 0.199 1.00 1.00 C ATOM 218 O ARG A 14 50.685 -20.765 0.524 1.00 1.00 O ATOM 219 CB ARG A 14 51.937 -18.242 1.923 1.00 1.00 C ATOM 220 CG ARG A 14 50.830 -18.636 2.946 1.00 1.00 C ATOM 221 CD ARG A 14 50.884 -17.696 4.160 1.00 1.00 C ATOM 222 NE ARG A 14 52.166 -17.852 4.833 1.00 1.00 N ATOM 223 CZ ARG A 14 52.395 -18.885 5.637 1.00 1.00 C ATOM 224 NH1 ARG A 14 51.445 -19.749 5.879 1.00 1.00 N ATOM 225 NH2 ARG A 14 53.571 -19.037 6.183 1.00 1.00 N ATOM 0 H ARG A 14 54.165 -18.224 0.697 1.00 1.00 H new ATOM 0 HA ARG A 14 52.705 -20.243 2.066 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.706 -17.653 2.424 1.00 1.00 H new ATOM 0 HB3 ARG A 14 51.508 -17.611 1.145 1.00 1.00 H new ATOM 0 HG2 ARG A 14 49.849 -18.579 2.474 1.00 1.00 H new ATOM 0 HG3 ARG A 14 50.970 -19.668 3.267 1.00 1.00 H new ATOM 0 HD2 ARG A 14 50.752 -16.662 3.840 1.00 1.00 H new ATOM 0 HD3 ARG A 14 50.069 -17.924 4.847 1.00 1.00 H new ATOM 0 HE ARG A 14 52.899 -17.158 4.685 1.00 1.00 H new ATOM 0 HH11 ARG A 14 50.527 -19.631 5.451 1.00 1.00 H new ATOM 0 HH12 ARG A 14 51.622 -20.542 6.496 1.00 1.00 H new ATOM 0 HH21 ARG A 14 54.313 -18.363 5.992 1.00 1.00 H new ATOM 0 HH22 ARG A 14 53.748 -19.829 6.800 1.00 1.00 H new ATOM 239 N GLY A 15 51.987 -19.864 -1.088 1.00 1.00 N ATOM 240 CA GLY A 15 51.180 -20.423 -2.190 1.00 1.00 C ATOM 241 C GLY A 15 50.568 -19.334 -3.068 1.00 1.00 C ATOM 242 O GLY A 15 50.498 -19.481 -4.289 1.00 1.00 O ATOM 0 H GLY A 15 52.789 -19.309 -1.387 1.00 1.00 H new ATOM 0 HA2 GLY A 15 51.805 -21.072 -2.803 1.00 1.00 H new ATOM 0 HA3 GLY A 15 50.385 -21.044 -1.777 1.00 1.00 H new ATOM 246 N THR A 16 50.129 -18.242 -2.452 1.00 1.00 N ATOM 247 CA THR A 16 49.530 -17.148 -3.213 1.00 1.00 C ATOM 248 C THR A 16 48.520 -17.688 -4.218 1.00 1.00 C ATOM 249 O THR A 16 48.561 -17.346 -5.399 1.00 1.00 O ATOM 250 CB THR A 16 50.636 -16.400 -3.958 1.00 1.00 C ATOM 251 OG1 THR A 16 50.953 -17.103 -5.154 1.00 1.00 O ATOM 252 CG2 THR A 16 51.871 -16.321 -3.061 1.00 1.00 C ATOM 0 H THR A 16 50.174 -18.090 -1.444 1.00 1.00 H new ATOM 0 HA THR A 16 49.015 -16.475 -2.527 1.00 1.00 H new ATOM 0 HB THR A 16 50.304 -15.393 -4.211 1.00 1.00 H new ATOM 0 HG1 THR A 16 50.196 -17.051 -5.774 1.00 1.00 H new ATOM 0 HG21 THR A 16 52.666 -15.789 -3.583 1.00 1.00 H new ATOM 0 HG22 THR A 16 51.621 -15.789 -2.143 1.00 1.00 H new ATOM 0 HG23 THR A 16 52.208 -17.328 -2.816 1.00 1.00 H new ATOM 260 N GLY A 17 47.618 -18.542 -3.741 1.00 1.00 N ATOM 261 CA GLY A 17 46.608 -19.129 -4.623 1.00 1.00 C ATOM 262 C GLY A 17 47.289 -19.838 -5.783 1.00 1.00 C ATOM 263 O GLY A 17 47.504 -21.051 -5.742 1.00 1.00 O ATOM 0 H GLY A 17 47.563 -18.840 -2.767 1.00 1.00 H new ATOM 0 HA2 GLY A 17 45.990 -19.833 -4.066 1.00 1.00 H new ATOM 0 HA3 GLY A 17 45.944 -18.351 -4.999 1.00 1.00 H new ATOM 267 N ALA A 18 47.628 -19.064 -6.809 1.00 1.00 N ATOM 268 CA ALA A 18 48.302 -19.595 -8.001 1.00 1.00 C ATOM 269 C ALA A 18 47.261 -20.143 -8.993 1.00 1.00 C ATOM 270 O ALA A 18 46.844 -21.294 -8.873 1.00 1.00 O ATOM 271 CB ALA A 18 49.291 -20.711 -7.607 1.00 1.00 C ATOM 0 H ALA A 18 47.448 -18.061 -6.844 1.00 1.00 H new ATOM 0 HA ALA A 18 48.858 -18.787 -8.476 1.00 1.00 H new ATOM 0 HB1 ALA A 18 49.782 -21.094 -8.501 1.00 1.00 H new ATOM 0 HB2 ALA A 18 50.040 -20.309 -6.925 1.00 1.00 H new ATOM 0 HB3 ALA A 18 48.750 -21.520 -7.116 1.00 1.00 H new ATOM 277 N GLY A 19 46.838 -19.327 -9.968 1.00 1.00 N ATOM 278 CA GLY A 19 45.841 -19.791 -10.943 1.00 1.00 C ATOM 279 C GLY A 19 44.435 -19.811 -10.338 1.00 1.00 C ATOM 280 O GLY A 19 43.644 -20.709 -10.624 1.00 1.00 O ATOM 0 H GLY A 19 47.160 -18.368 -10.102 1.00 1.00 H new ATOM 0 HA2 GLY A 19 45.854 -19.139 -11.817 1.00 1.00 H new ATOM 0 HA3 GLY A 19 46.105 -20.791 -11.287 1.00 1.00 H new ATOM 284 N SER A 20 44.127 -18.818 -9.502 1.00 1.00 N ATOM 285 CA SER A 20 42.813 -18.731 -8.862 1.00 1.00 C ATOM 286 C SER A 20 42.325 -17.289 -8.850 1.00 1.00 C ATOM 287 O SER A 20 42.147 -16.690 -7.789 1.00 1.00 O ATOM 288 CB SER A 20 42.902 -19.238 -7.431 1.00 1.00 C ATOM 289 OG SER A 20 43.597 -20.477 -7.412 1.00 1.00 O ATOM 0 H SER A 20 44.768 -18.064 -9.253 1.00 1.00 H new ATOM 0 HA SER A 20 42.111 -19.344 -9.427 1.00 1.00 H new ATOM 0 HB2 SER A 20 43.419 -18.509 -6.807 1.00 1.00 H new ATOM 0 HB3 SER A 20 41.902 -19.363 -7.015 1.00 1.00 H new ATOM 0 HG SER A 20 43.080 -21.134 -6.901 1.00 1.00 H new ATOM 295 N ARG A 21 42.121 -16.737 -10.039 1.00 1.00 N ATOM 296 CA ARG A 21 41.662 -15.354 -10.180 1.00 1.00 C ATOM 297 C ARG A 21 40.135 -15.301 -10.289 1.00 1.00 C ATOM 298 O ARG A 21 39.520 -16.248 -10.774 1.00 1.00 O ATOM 299 CB ARG A 21 42.295 -14.720 -11.432 1.00 1.00 C ATOM 300 CG ARG A 21 43.709 -15.288 -11.663 1.00 1.00 C ATOM 301 CD ARG A 21 44.628 -15.005 -10.455 1.00 1.00 C ATOM 302 NE ARG A 21 44.844 -16.227 -9.686 1.00 1.00 N ATOM 303 CZ ARG A 21 45.441 -16.192 -8.498 1.00 1.00 C ATOM 304 NH1 ARG A 21 45.822 -15.050 -7.993 1.00 1.00 N ATOM 305 NH2 ARG A 21 45.646 -17.298 -7.835 1.00 1.00 N ATOM 0 H ARG A 21 42.265 -17.224 -10.924 1.00 1.00 H new ATOM 0 HA ARG A 21 41.967 -14.795 -9.296 1.00 1.00 H new ATOM 0 HB2 ARG A 21 41.670 -14.917 -12.303 1.00 1.00 H new ATOM 0 HB3 ARG A 21 42.345 -13.638 -11.314 1.00 1.00 H new ATOM 0 HG2 ARG A 21 43.649 -16.363 -11.834 1.00 1.00 H new ATOM 0 HG3 ARG A 21 44.139 -14.846 -12.562 1.00 1.00 H new ATOM 0 HD2 ARG A 21 45.584 -14.611 -10.801 1.00 1.00 H new ATOM 0 HD3 ARG A 21 44.180 -14.241 -9.819 1.00 1.00 H new ATOM 0 HE ARG A 21 44.532 -17.121 -10.065 1.00 1.00 H new ATOM 0 HH11 ARG A 21 45.662 -14.185 -8.509 1.00 1.00 H new ATOM 0 HH12 ARG A 21 46.280 -15.023 -7.082 1.00 1.00 H new ATOM 0 HH21 ARG A 21 45.348 -18.191 -8.228 1.00 1.00 H new ATOM 0 HH22 ARG A 21 46.104 -17.269 -6.924 1.00 1.00 H new ATOM 319 N PRO A 22 39.506 -14.223 -9.862 1.00 1.00 N ATOM 320 CA PRO A 22 38.025 -14.097 -9.944 1.00 1.00 C ATOM 321 C PRO A 22 37.481 -14.590 -11.280 1.00 1.00 C ATOM 322 O PRO A 22 37.639 -13.936 -12.311 1.00 1.00 O ATOM 323 CB PRO A 22 37.772 -12.600 -9.771 1.00 1.00 C ATOM 324 CG PRO A 22 38.922 -12.099 -8.951 1.00 1.00 C ATOM 325 CD PRO A 22 40.117 -13.020 -9.254 1.00 1.00 C ATOM 0 HA PRO A 22 37.523 -14.705 -9.191 1.00 1.00 H new ATOM 0 HB2 PRO A 22 37.726 -12.094 -10.736 1.00 1.00 H new ATOM 0 HB3 PRO A 22 36.822 -12.417 -9.270 1.00 1.00 H new ATOM 0 HG2 PRO A 22 39.156 -11.065 -9.205 1.00 1.00 H new ATOM 0 HG3 PRO A 22 38.678 -12.119 -7.889 1.00 1.00 H new ATOM 0 HD2 PRO A 22 40.823 -12.545 -9.935 1.00 1.00 H new ATOM 0 HD3 PRO A 22 40.668 -13.269 -8.347 1.00 1.00 H new ATOM 333 N ARG A 23 36.833 -15.738 -11.233 1.00 1.00 N ATOM 334 CA ARG A 23 36.243 -16.342 -12.431 1.00 1.00 C ATOM 335 C ARG A 23 35.458 -17.604 -12.072 1.00 1.00 C ATOM 336 O ARG A 23 35.939 -18.450 -11.319 1.00 1.00 O ATOM 337 CB ARG A 23 37.350 -16.695 -13.443 1.00 1.00 C ATOM 338 CG ARG A 23 38.298 -17.778 -12.864 1.00 1.00 C ATOM 339 CD ARG A 23 38.021 -19.141 -13.514 1.00 1.00 C ATOM 340 NE ARG A 23 38.861 -20.166 -12.904 1.00 1.00 N ATOM 341 CZ ARG A 23 38.874 -21.413 -13.364 1.00 1.00 C ATOM 342 NH1 ARG A 23 38.126 -21.740 -14.381 1.00 1.00 N ATOM 343 NH2 ARG A 23 39.637 -22.310 -12.801 1.00 1.00 N ATOM 0 H ARG A 23 36.697 -16.279 -10.379 1.00 1.00 H new ATOM 0 HA ARG A 23 35.559 -15.619 -12.876 1.00 1.00 H new ATOM 0 HB2 ARG A 23 36.902 -17.055 -14.369 1.00 1.00 H new ATOM 0 HB3 ARG A 23 37.921 -15.800 -13.692 1.00 1.00 H new ATOM 0 HG2 ARG A 23 39.335 -17.491 -13.036 1.00 1.00 H new ATOM 0 HG3 ARG A 23 38.162 -17.849 -11.785 1.00 1.00 H new ATOM 0 HD2 ARG A 23 36.970 -19.403 -13.395 1.00 1.00 H new ATOM 0 HD3 ARG A 23 38.217 -19.089 -14.585 1.00 1.00 H new ATOM 0 HE ARG A 23 39.450 -19.921 -12.108 1.00 1.00 H new ATOM 0 HH11 ARG A 23 37.531 -21.039 -14.823 1.00 1.00 H new ATOM 0 HH12 ARG A 23 38.136 -22.697 -14.734 1.00 1.00 H new ATOM 0 HH21 ARG A 23 40.224 -22.054 -12.007 1.00 1.00 H new ATOM 0 HH22 ARG A 23 39.646 -23.267 -13.155 1.00 1.00 H new ATOM 357 N GLY A 24 34.246 -17.733 -12.623 1.00 1.00 N ATOM 358 CA GLY A 24 33.402 -18.909 -12.363 1.00 1.00 C ATOM 359 C GLY A 24 32.158 -18.537 -11.564 1.00 1.00 C ATOM 360 O GLY A 24 31.038 -18.636 -12.063 1.00 1.00 O ATOM 0 H GLY A 24 33.828 -17.044 -13.248 1.00 1.00 H new ATOM 0 HA2 GLY A 24 33.106 -19.362 -13.309 1.00 1.00 H new ATOM 0 HA3 GLY A 24 33.977 -19.657 -11.817 1.00 1.00 H new ATOM 364 N GLN A 25 32.366 -18.126 -10.319 1.00 1.00 N ATOM 365 CA GLN A 25 31.262 -17.753 -9.437 1.00 1.00 C ATOM 366 C GLN A 25 30.195 -16.956 -10.189 1.00 1.00 C ATOM 367 O GLN A 25 30.224 -15.727 -10.214 1.00 1.00 O ATOM 368 CB GLN A 25 31.790 -16.925 -8.256 1.00 1.00 C ATOM 369 CG GLN A 25 32.756 -17.773 -7.419 1.00 1.00 C ATOM 370 CD GLN A 25 34.115 -17.861 -8.106 1.00 1.00 C ATOM 371 OE1 GLN A 25 34.369 -18.800 -8.862 1.00 1.00 O ATOM 372 NE2 GLN A 25 35.011 -16.938 -7.888 1.00 1.00 N ATOM 0 H GLN A 25 33.290 -18.042 -9.895 1.00 1.00 H new ATOM 0 HA GLN A 25 30.805 -18.670 -9.065 1.00 1.00 H new ATOM 0 HB2 GLN A 25 32.299 -16.034 -8.623 1.00 1.00 H new ATOM 0 HB3 GLN A 25 30.959 -16.586 -7.637 1.00 1.00 H new ATOM 0 HG2 GLN A 25 32.870 -17.335 -6.428 1.00 1.00 H new ATOM 0 HG3 GLN A 25 32.346 -18.773 -7.280 1.00 1.00 H new ATOM 0 HE21 GLN A 25 34.801 -16.161 -7.262 1.00 1.00 H new ATOM 0 HE22 GLN A 25 35.922 -16.994 -8.344 1.00 1.00 H new ATOM 381 N ASN A 26 29.252 -17.678 -10.794 1.00 1.00 N ATOM 382 CA ASN A 26 28.155 -17.052 -11.550 1.00 1.00 C ATOM 383 C ASN A 26 26.835 -17.754 -11.248 1.00 1.00 C ATOM 384 O ASN A 26 26.041 -18.024 -12.147 1.00 1.00 O ATOM 385 CB ASN A 26 28.447 -17.112 -13.055 1.00 1.00 C ATOM 386 CG ASN A 26 27.482 -16.206 -13.814 1.00 1.00 C ATOM 387 OD1 ASN A 26 27.147 -15.051 -13.308 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 27.023 -16.560 -14.901 1.00 1.00 N flip ATOM 0 H ASN A 26 29.221 -18.697 -10.778 1.00 1.00 H new ATOM 0 HA ASN A 26 28.076 -16.008 -11.246 1.00 1.00 H new ATOM 0 HB2 ASN A 26 29.475 -16.803 -13.246 1.00 1.00 H new ATOM 0 HB3 ASN A 26 28.351 -18.138 -13.411 1.00 1.00 H new ATOM 0 HD21 ASN A 26 27.286 -17.463 -15.296 1.00 1.00 H new ATOM 0 HD22 ASN A 26 26.380 -15.950 -15.406 1.00 1.00 H new ATOM 395 N LYS A 27 26.609 -18.034 -9.968 1.00 1.00 N ATOM 396 CA LYS A 27 25.380 -18.694 -9.534 1.00 1.00 C ATOM 397 C LYS A 27 24.157 -17.846 -9.898 1.00 1.00 C ATOM 398 O LYS A 27 23.316 -18.311 -10.661 1.00 1.00 O ATOM 399 CB LYS A 27 25.445 -18.948 -8.018 1.00 1.00 C ATOM 400 CG LYS A 27 25.797 -17.640 -7.263 1.00 1.00 C ATOM 401 CD LYS A 27 26.701 -17.950 -6.059 1.00 1.00 C ATOM 402 CE LYS A 27 27.106 -16.647 -5.364 1.00 1.00 C ATOM 403 NZ LYS A 27 27.619 -15.678 -6.377 1.00 1.00 N ATOM 0 H LYS A 27 27.259 -17.815 -9.213 1.00 1.00 H new ATOM 0 HA LYS A 27 25.283 -19.651 -10.047 1.00 1.00 H new ATOM 0 HB2 LYS A 27 24.487 -19.332 -7.666 1.00 1.00 H new ATOM 0 HB3 LYS A 27 26.193 -19.712 -7.803 1.00 1.00 H new ATOM 0 HG2 LYS A 27 26.301 -16.947 -7.937 1.00 1.00 H new ATOM 0 HG3 LYS A 27 24.884 -17.149 -6.925 1.00 1.00 H new ATOM 0 HD2 LYS A 27 26.177 -18.599 -5.357 1.00 1.00 H new ATOM 0 HD3 LYS A 27 27.590 -18.488 -6.389 1.00 1.00 H new ATOM 0 HE2 LYS A 27 26.250 -16.222 -4.840 1.00 1.00 H new ATOM 0 HE3 LYS A 27 27.873 -16.846 -4.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 28.363 -15.090 -5.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 28.012 -16.198 -7.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 26.840 -15.069 -6.701 1.00 1.00 H new ATOM 417 N GLU A 28 24.101 -16.600 -9.380 1.00 1.00 N ATOM 418 CA GLU A 28 23.008 -15.642 -9.670 1.00 1.00 C ATOM 419 C GLU A 28 22.726 -14.727 -8.475 1.00 1.00 C ATOM 420 O GLU A 28 21.744 -13.983 -8.481 1.00 1.00 O ATOM 421 CB GLU A 28 21.692 -16.350 -10.097 1.00 1.00 C ATOM 422 CG GLU A 28 21.634 -16.471 -11.635 1.00 1.00 C ATOM 423 CD GLU A 28 20.651 -17.567 -12.045 1.00 1.00 C ATOM 424 OE1 GLU A 28 20.061 -18.167 -11.163 1.00 1.00 O ATOM 425 OE2 GLU A 28 20.505 -17.790 -13.236 1.00 1.00 O ATOM 0 H GLU A 28 24.811 -16.228 -8.749 1.00 1.00 H new ATOM 0 HA GLU A 28 23.359 -15.039 -10.508 1.00 1.00 H new ATOM 0 HB2 GLU A 28 21.638 -17.340 -9.644 1.00 1.00 H new ATOM 0 HB3 GLU A 28 20.832 -15.786 -9.735 1.00 1.00 H new ATOM 0 HG2 GLU A 28 21.330 -15.519 -12.070 1.00 1.00 H new ATOM 0 HG3 GLU A 28 22.626 -16.698 -12.026 1.00 1.00 H new ATOM 432 N ARG A 29 23.586 -14.773 -7.463 1.00 1.00 N ATOM 433 CA ARG A 29 23.414 -13.928 -6.269 1.00 1.00 C ATOM 434 C ARG A 29 24.608 -12.966 -6.121 1.00 1.00 C ATOM 435 O ARG A 29 25.716 -13.290 -6.545 1.00 1.00 O ATOM 436 CB ARG A 29 23.307 -14.812 -5.008 1.00 1.00 C ATOM 437 CG ARG A 29 21.909 -15.458 -4.898 1.00 1.00 C ATOM 438 CD ARG A 29 21.856 -16.756 -5.713 1.00 1.00 C ATOM 439 NE ARG A 29 22.826 -17.717 -5.192 1.00 1.00 N ATOM 440 CZ ARG A 29 22.668 -19.025 -5.374 1.00 1.00 C ATOM 441 NH1 ARG A 29 21.635 -19.475 -6.033 1.00 1.00 N ATOM 442 NH2 ARG A 29 23.549 -19.859 -4.894 1.00 1.00 N ATOM 0 H ARG A 29 24.406 -15.379 -7.438 1.00 1.00 H new ATOM 0 HA ARG A 29 22.499 -13.347 -6.383 1.00 1.00 H new ATOM 0 HB2 ARG A 29 24.069 -15.591 -5.040 1.00 1.00 H new ATOM 0 HB3 ARG A 29 23.504 -14.210 -4.121 1.00 1.00 H new ATOM 0 HG2 ARG A 29 21.679 -15.667 -3.853 1.00 1.00 H new ATOM 0 HG3 ARG A 29 21.151 -14.763 -5.259 1.00 1.00 H new ATOM 0 HD2 ARG A 29 20.853 -17.181 -5.670 1.00 1.00 H new ATOM 0 HD3 ARG A 29 22.068 -16.545 -6.761 1.00 1.00 H new ATOM 0 HE ARG A 29 23.640 -17.378 -4.679 1.00 1.00 H new ATOM 0 HH11 ARG A 29 20.947 -18.823 -6.410 1.00 1.00 H new ATOM 0 HH12 ARG A 29 21.516 -20.479 -6.171 1.00 1.00 H new ATOM 0 HH21 ARG A 29 24.357 -19.508 -4.380 1.00 1.00 H new ATOM 0 HH22 ARG A 29 23.430 -20.862 -5.032 1.00 1.00 H new ATOM 456 N PRO A 30 24.408 -11.796 -5.533 1.00 1.00 N ATOM 457 CA PRO A 30 25.504 -10.791 -5.336 1.00 1.00 C ATOM 458 C PRO A 30 26.836 -11.446 -4.930 1.00 1.00 C ATOM 459 O PRO A 30 26.870 -12.635 -4.612 1.00 1.00 O ATOM 460 CB PRO A 30 24.965 -9.899 -4.210 1.00 1.00 C ATOM 461 CG PRO A 30 23.470 -9.961 -4.327 1.00 1.00 C ATOM 462 CD PRO A 30 23.122 -11.302 -4.998 1.00 1.00 C ATOM 0 HA PRO A 30 25.733 -10.247 -6.252 1.00 1.00 H new ATOM 0 HB2 PRO A 30 25.297 -10.255 -3.235 1.00 1.00 H new ATOM 0 HB3 PRO A 30 25.324 -8.875 -4.315 1.00 1.00 H new ATOM 0 HG2 PRO A 30 23.004 -9.890 -3.344 1.00 1.00 H new ATOM 0 HG3 PRO A 30 23.095 -9.126 -4.919 1.00 1.00 H new ATOM 0 HD2 PRO A 30 22.694 -12.004 -4.282 1.00 1.00 H new ATOM 0 HD3 PRO A 30 22.387 -11.169 -5.792 1.00 1.00 H new ATOM 470 N PRO A 31 27.929 -10.704 -4.919 1.00 1.00 N ATOM 471 CA PRO A 31 29.264 -11.260 -4.528 1.00 1.00 C ATOM 472 C PRO A 31 29.215 -11.980 -3.174 1.00 1.00 C ATOM 473 O PRO A 31 28.335 -11.712 -2.356 1.00 1.00 O ATOM 474 CB PRO A 31 30.171 -10.019 -4.457 1.00 1.00 C ATOM 475 CG PRO A 31 29.533 -9.020 -5.365 1.00 1.00 C ATOM 476 CD PRO A 31 28.026 -9.270 -5.274 1.00 1.00 C ATOM 0 HA PRO A 31 29.617 -12.010 -5.235 1.00 1.00 H new ATOM 0 HB2 PRO A 31 30.240 -9.638 -3.438 1.00 1.00 H new ATOM 0 HB3 PRO A 31 31.186 -10.253 -4.779 1.00 1.00 H new ATOM 0 HG2 PRO A 31 29.779 -8.003 -5.060 1.00 1.00 H new ATOM 0 HG3 PRO A 31 29.888 -9.141 -6.389 1.00 1.00 H new ATOM 0 HD2 PRO A 31 27.560 -8.638 -4.518 1.00 1.00 H new ATOM 0 HD3 PRO A 31 27.527 -9.057 -6.219 1.00 1.00 H new ATOM 484 N PRO A 32 30.142 -12.873 -2.920 1.00 1.00 N ATOM 485 CA PRO A 32 30.203 -13.628 -1.632 1.00 1.00 C ATOM 486 C PRO A 32 30.679 -12.748 -0.474 1.00 1.00 C ATOM 487 O PRO A 32 31.387 -11.763 -0.682 1.00 1.00 O ATOM 488 CB PRO A 32 31.199 -14.753 -1.935 1.00 1.00 C ATOM 489 CG PRO A 32 32.119 -14.166 -2.952 1.00 1.00 C ATOM 490 CD PRO A 32 31.243 -13.263 -3.824 1.00 1.00 C ATOM 0 HA PRO A 32 29.228 -13.995 -1.311 1.00 1.00 H new ATOM 0 HB2 PRO A 32 31.739 -15.058 -1.039 1.00 1.00 H new ATOM 0 HB3 PRO A 32 30.694 -15.639 -2.320 1.00 1.00 H new ATOM 0 HG2 PRO A 32 32.918 -13.597 -2.476 1.00 1.00 H new ATOM 0 HG3 PRO A 32 32.594 -14.945 -3.548 1.00 1.00 H new ATOM 0 HD2 PRO A 32 31.795 -12.394 -4.183 1.00 1.00 H new ATOM 0 HD3 PRO A 32 30.873 -13.791 -4.703 1.00 1.00 H new ATOM 498 N VAL A 33 30.284 -13.111 0.747 1.00 1.00 N ATOM 499 CA VAL A 33 30.672 -12.350 1.937 1.00 1.00 C ATOM 500 C VAL A 33 30.925 -13.288 3.115 1.00 1.00 C ATOM 501 O VAL A 33 30.137 -13.333 4.061 1.00 1.00 O ATOM 502 CB VAL A 33 29.560 -11.366 2.305 1.00 1.00 C ATOM 503 CG1 VAL A 33 30.056 -10.415 3.395 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.161 -10.561 1.067 1.00 1.00 C ATOM 0 H VAL A 33 29.698 -13.924 0.938 1.00 1.00 H new ATOM 0 HA VAL A 33 31.590 -11.805 1.715 1.00 1.00 H new ATOM 0 HB VAL A 33 28.696 -11.918 2.674 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.262 -9.715 3.656 1.00 1.00 H new ATOM 0 HG12 VAL A 33 30.338 -10.989 4.278 1.00 1.00 H new ATOM 0 HG13 VAL A 33 30.922 -9.863 3.030 1.00 1.00 H new ATOM 0 HG21 VAL A 33 28.369 -9.860 1.329 1.00 1.00 H new ATOM 0 HG22 VAL A 33 30.026 -10.010 0.697 1.00 1.00 H new ATOM 0 HG23 VAL A 33 28.804 -11.239 0.292 1.00 1.00 H new ATOM 514 N PRO A 34 31.997 -14.033 3.073 1.00 1.00 N ATOM 515 CA PRO A 34 32.355 -14.994 4.162 1.00 1.00 C ATOM 516 C PRO A 34 32.607 -14.283 5.495 1.00 1.00 C ATOM 517 O PRO A 34 33.157 -13.182 5.530 1.00 1.00 O ATOM 518 CB PRO A 34 33.636 -15.687 3.643 1.00 1.00 C ATOM 519 CG PRO A 34 33.685 -15.393 2.173 1.00 1.00 C ATOM 520 CD PRO A 34 32.987 -14.050 1.988 1.00 1.00 C ATOM 0 HA PRO A 34 31.549 -15.698 4.369 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.522 -15.304 4.149 1.00 1.00 H new ATOM 0 HB3 PRO A 34 33.603 -16.761 3.827 1.00 1.00 H new ATOM 0 HG2 PRO A 34 34.715 -15.349 1.818 1.00 1.00 H new ATOM 0 HG3 PRO A 34 33.184 -16.175 1.602 1.00 1.00 H new ATOM 0 HD2 PRO A 34 33.687 -13.218 2.069 1.00 1.00 H new ATOM 0 HD3 PRO A 34 32.513 -13.974 1.009 1.00 1.00 H new ATOM 528 N ASN A 35 32.208 -14.930 6.589 1.00 1.00 N ATOM 529 CA ASN A 35 32.400 -14.370 7.929 1.00 1.00 C ATOM 530 C ASN A 35 33.671 -14.946 8.568 1.00 1.00 C ATOM 531 O ASN A 35 34.442 -14.220 9.195 1.00 1.00 O ATOM 532 CB ASN A 35 31.171 -14.695 8.813 1.00 1.00 C ATOM 533 CG ASN A 35 30.518 -13.416 9.349 1.00 1.00 C ATOM 534 OD1 ASN A 35 30.741 -13.040 10.501 1.00 1.00 O ATOM 535 ND2 ASN A 35 29.725 -12.726 8.577 1.00 1.00 N ATOM 0 H ASN A 35 31.750 -15.841 6.576 1.00 1.00 H new ATOM 0 HA ASN A 35 32.508 -13.288 7.848 1.00 1.00 H new ATOM 0 HB2 ASN A 35 30.443 -15.262 8.233 1.00 1.00 H new ATOM 0 HB3 ASN A 35 31.477 -15.327 9.647 1.00 1.00 H new ATOM 0 HD21 ASN A 35 29.288 -11.873 8.927 1.00 1.00 H new ATOM 0 HD22 ASN A 35 29.542 -13.039 7.624 1.00 1.00 H new ATOM 542 N PRO A 36 33.891 -16.231 8.428 1.00 1.00 N ATOM 543 CA PRO A 36 35.086 -16.913 9.010 1.00 1.00 C ATOM 544 C PRO A 36 36.387 -16.300 8.501 1.00 1.00 C ATOM 545 O PRO A 36 37.453 -16.512 9.077 1.00 1.00 O ATOM 546 CB PRO A 36 34.936 -18.383 8.564 1.00 1.00 C ATOM 547 CG PRO A 36 33.486 -18.539 8.233 1.00 1.00 C ATOM 548 CD PRO A 36 33.029 -17.181 7.705 1.00 1.00 C ATOM 0 HA PRO A 36 35.133 -16.812 10.094 1.00 1.00 H new ATOM 0 HB2 PRO A 36 35.564 -18.600 7.700 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.236 -19.069 9.356 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.338 -19.319 7.486 1.00 1.00 H new ATOM 0 HG3 PRO A 36 32.913 -18.829 9.114 1.00 1.00 H new ATOM 0 HD2 PRO A 36 33.161 -17.103 6.626 1.00 1.00 H new ATOM 0 HD3 PRO A 36 31.973 -17.004 7.911 1.00 1.00 H new ATOM 556 N ASP A 37 36.290 -15.537 7.417 1.00 1.00 N ATOM 557 CA ASP A 37 37.465 -14.896 6.842 1.00 1.00 C ATOM 558 C ASP A 37 37.805 -13.618 7.608 1.00 1.00 C ATOM 559 O ASP A 37 38.788 -12.945 7.296 1.00 1.00 O ATOM 560 CB ASP A 37 37.217 -14.561 5.368 1.00 1.00 C ATOM 561 CG ASP A 37 36.151 -13.476 5.251 1.00 1.00 C ATOM 562 OD1 ASP A 37 35.595 -13.104 6.270 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.904 -13.037 4.139 1.00 1.00 O ATOM 0 H ASP A 37 35.417 -15.349 6.923 1.00 1.00 H new ATOM 0 HA ASP A 37 38.304 -15.588 6.917 1.00 1.00 H new ATOM 0 HB2 ASP A 37 38.143 -14.224 4.902 1.00 1.00 H new ATOM 0 HB3 ASP A 37 36.898 -15.455 4.832 1.00 1.00 H new ATOM 568 N TYR A 38 36.990 -13.286 8.618 1.00 1.00 N ATOM 569 CA TYR A 38 37.226 -12.077 9.426 1.00 1.00 C ATOM 570 C TYR A 38 37.705 -12.458 10.826 1.00 1.00 C ATOM 571 O TYR A 38 37.527 -11.696 11.776 1.00 1.00 O ATOM 572 CB TYR A 38 35.931 -11.223 9.523 1.00 1.00 C ATOM 573 CG TYR A 38 36.202 -9.800 9.069 1.00 1.00 C ATOM 574 CD1 TYR A 38 36.951 -8.943 9.882 1.00 1.00 C ATOM 575 CD2 TYR A 38 35.713 -9.346 7.838 1.00 1.00 C ATOM 576 CE1 TYR A 38 37.213 -7.634 9.468 1.00 1.00 C ATOM 577 CE2 TYR A 38 35.973 -8.035 7.423 1.00 1.00 C ATOM 578 CZ TYR A 38 36.724 -7.178 8.239 1.00 1.00 C ATOM 579 OH TYR A 38 36.982 -5.886 7.828 1.00 1.00 O ATOM 0 H TYR A 38 36.171 -13.828 8.894 1.00 1.00 H new ATOM 0 HA TYR A 38 37.999 -11.485 8.937 1.00 1.00 H new ATOM 0 HB2 TYR A 38 35.149 -11.666 8.907 1.00 1.00 H new ATOM 0 HB3 TYR A 38 35.565 -11.221 10.550 1.00 1.00 H new ATOM 0 HD1 TYR A 38 37.328 -9.293 10.832 1.00 1.00 H new ATOM 0 HD2 TYR A 38 35.135 -10.007 7.209 1.00 1.00 H new ATOM 0 HE1 TYR A 38 37.793 -6.975 10.097 1.00 1.00 H new ATOM 0 HE2 TYR A 38 35.595 -7.684 6.474 1.00 1.00 H new ATOM 0 HH TYR A 38 36.571 -5.733 6.952 1.00 1.00 H new ATOM 589 N GLU A 39 38.321 -13.635 10.946 1.00 1.00 N ATOM 590 CA GLU A 39 38.832 -14.102 12.236 1.00 1.00 C ATOM 591 C GLU A 39 40.320 -14.459 12.144 1.00 1.00 C ATOM 592 O GLU A 39 40.753 -15.474 12.687 1.00 1.00 O ATOM 593 CB GLU A 39 38.038 -15.327 12.699 1.00 1.00 C ATOM 594 CG GLU A 39 36.587 -14.916 12.975 1.00 1.00 C ATOM 595 CD GLU A 39 35.692 -16.150 13.043 1.00 1.00 C ATOM 596 OE1 GLU A 39 36.173 -17.227 12.725 1.00 1.00 O ATOM 597 OE2 GLU A 39 34.539 -16.001 13.410 1.00 1.00 O ATOM 0 H GLU A 39 38.478 -14.279 10.171 1.00 1.00 H new ATOM 0 HA GLU A 39 38.715 -13.294 12.959 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.069 -16.104 11.936 1.00 1.00 H new ATOM 0 HB3 GLU A 39 38.487 -15.746 13.599 1.00 1.00 H new ATOM 0 HG2 GLU A 39 36.530 -14.365 13.914 1.00 1.00 H new ATOM 0 HG3 GLU A 39 36.236 -14.246 12.190 1.00 1.00 H new ATOM 604 N PRO A 40 41.110 -13.639 11.486 1.00 1.00 N ATOM 605 CA PRO A 40 42.582 -13.876 11.345 1.00 1.00 C ATOM 606 C PRO A 40 43.315 -13.655 12.666 1.00 1.00 C ATOM 607 O PRO A 40 44.496 -13.308 12.686 1.00 1.00 O ATOM 608 CB PRO A 40 43.009 -12.842 10.296 1.00 1.00 C ATOM 609 CG PRO A 40 42.027 -11.728 10.448 1.00 1.00 C ATOM 610 CD PRO A 40 40.698 -12.397 10.801 1.00 1.00 C ATOM 0 HA PRO A 40 42.817 -14.900 11.056 1.00 1.00 H new ATOM 0 HB2 PRO A 40 44.029 -12.499 10.469 1.00 1.00 H new ATOM 0 HB3 PRO A 40 42.981 -13.262 9.290 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.337 -11.036 11.231 1.00 1.00 H new ATOM 0 HG3 PRO A 40 41.943 -11.151 9.527 1.00 1.00 H new ATOM 0 HD2 PRO A 40 40.089 -11.765 11.447 1.00 1.00 H new ATOM 0 HD3 PRO A 40 40.105 -12.607 9.911 1.00 1.00 H new ATOM 618 N ILE A 41 42.596 -13.846 13.761 1.00 1.00 N ATOM 619 CA ILE A 41 43.157 -13.659 15.095 1.00 1.00 C ATOM 620 C ILE A 41 43.763 -14.970 15.590 1.00 1.00 C ATOM 621 O ILE A 41 44.329 -15.036 16.681 1.00 1.00 O ATOM 622 CB ILE A 41 42.057 -13.168 16.083 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.865 -12.554 15.319 1.00 1.00 C ATOM 624 CG2 ILE A 41 42.630 -12.113 17.038 1.00 1.00 C ATOM 625 CD1 ILE A 41 41.295 -11.310 14.533 1.00 1.00 C ATOM 0 H ILE A 41 41.617 -14.132 13.754 1.00 1.00 H new ATOM 0 HA ILE A 41 43.939 -12.902 15.045 1.00 1.00 H new ATOM 0 HB ILE A 41 41.713 -14.032 16.651 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.447 -13.293 14.636 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.076 -12.289 16.023 1.00 1.00 H new ATOM 0 HG21 ILE A 41 41.850 -11.780 17.722 1.00 1.00 H new ATOM 0 HG22 ILE A 41 43.452 -12.546 17.608 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.996 -11.262 16.463 1.00 1.00 H new ATOM 0 HD11 ILE A 41 40.435 -10.898 14.004 1.00 1.00 H new ATOM 0 HD12 ILE A 41 41.689 -10.563 15.222 1.00 1.00 H new ATOM 0 HD13 ILE A 41 42.067 -11.583 13.813 1.00 1.00 H new ATOM 637 N ARG A 42 43.634 -16.008 14.772 1.00 1.00 N ATOM 638 CA ARG A 42 44.167 -17.332 15.119 1.00 1.00 C ATOM 639 C ARG A 42 45.529 -17.549 14.467 1.00 1.00 C ATOM 640 O ARG A 42 45.619 -18.025 13.335 1.00 1.00 O ATOM 641 CB ARG A 42 43.203 -18.435 14.661 1.00 1.00 C ATOM 642 CG ARG A 42 43.596 -19.757 15.322 1.00 1.00 C ATOM 643 CD ARG A 42 42.602 -20.847 14.919 1.00 1.00 C ATOM 644 NE ARG A 42 41.278 -20.526 15.436 1.00 1.00 N ATOM 645 CZ ARG A 42 41.015 -20.591 16.737 1.00 1.00 C ATOM 646 NH1 ARG A 42 41.946 -20.962 17.573 1.00 1.00 N ATOM 647 NH2 ARG A 42 39.826 -20.285 17.179 1.00 1.00 N ATOM 0 H ARG A 42 43.168 -15.965 13.866 1.00 1.00 H new ATOM 0 HA ARG A 42 44.278 -17.378 16.202 1.00 1.00 H new ATOM 0 HB2 ARG A 42 42.179 -18.172 14.927 1.00 1.00 H new ATOM 0 HB3 ARG A 42 43.235 -18.534 13.576 1.00 1.00 H new ATOM 0 HG2 ARG A 42 44.604 -20.041 15.020 1.00 1.00 H new ATOM 0 HG3 ARG A 42 43.608 -19.644 16.406 1.00 1.00 H new ATOM 0 HD2 ARG A 42 42.566 -20.936 13.833 1.00 1.00 H new ATOM 0 HD3 ARG A 42 42.929 -21.812 15.307 1.00 1.00 H new ATOM 0 HE ARG A 42 40.541 -20.247 14.789 1.00 1.00 H new ATOM 0 HH11 ARG A 42 42.875 -21.202 17.228 1.00 1.00 H new ATOM 0 HH12 ARG A 42 41.744 -21.012 18.572 1.00 1.00 H new ATOM 0 HH21 ARG A 42 39.098 -19.996 16.526 1.00 1.00 H new ATOM 0 HH22 ARG A 42 39.625 -20.335 18.178 1.00 1.00 H new ATOM 661 N LYS A 43 46.586 -17.195 15.192 1.00 1.00 N ATOM 662 CA LYS A 43 47.941 -17.354 14.681 1.00 1.00 C ATOM 663 C LYS A 43 48.969 -17.034 15.773 1.00 1.00 C ATOM 664 O LYS A 43 48.876 -15.998 16.433 1.00 1.00 O ATOM 665 CB LYS A 43 48.153 -16.429 13.483 1.00 1.00 C ATOM 666 CG LYS A 43 49.585 -16.574 12.964 1.00 1.00 C ATOM 667 CD LYS A 43 49.731 -15.816 11.640 1.00 1.00 C ATOM 668 CE LYS A 43 49.482 -14.321 11.862 1.00 1.00 C ATOM 669 NZ LYS A 43 50.089 -13.546 10.744 1.00 1.00 N ATOM 0 H LYS A 43 46.530 -16.798 16.130 1.00 1.00 H new ATOM 0 HA LYS A 43 48.077 -18.389 14.368 1.00 1.00 H new ATOM 0 HB2 LYS A 43 47.443 -16.674 12.693 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.964 -15.395 13.772 1.00 1.00 H new ATOM 0 HG2 LYS A 43 50.290 -16.183 13.698 1.00 1.00 H new ATOM 0 HG3 LYS A 43 49.826 -17.627 12.820 1.00 1.00 H new ATOM 0 HD2 LYS A 43 50.730 -15.970 11.232 1.00 1.00 H new ATOM 0 HD3 LYS A 43 49.024 -16.206 10.908 1.00 1.00 H new ATOM 0 HE2 LYS A 43 48.411 -14.124 11.916 1.00 1.00 H new ATOM 0 HE3 LYS A 43 49.913 -14.007 12.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 49.921 -12.531 10.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 51.113 -13.726 10.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.658 -13.839 9.844 1.00 1.00 H new ATOM 683 N GLY A 44 49.944 -17.926 15.971 1.00 1.00 N ATOM 684 CA GLY A 44 50.969 -17.712 17.002 1.00 1.00 C ATOM 685 C GLY A 44 51.842 -16.492 16.702 1.00 1.00 C ATOM 686 O GLY A 44 52.052 -15.641 17.567 1.00 1.00 O ATOM 0 H GLY A 44 50.047 -18.791 15.441 1.00 1.00 H new ATOM 0 HA2 GLY A 44 50.486 -17.582 17.971 1.00 1.00 H new ATOM 0 HA3 GLY A 44 51.599 -18.599 17.076 1.00 1.00 H new ATOM 690 N GLN A 45 52.364 -16.421 15.482 1.00 1.00 N ATOM 691 CA GLN A 45 53.232 -15.306 15.090 1.00 1.00 C ATOM 692 C GLN A 45 54.432 -15.176 16.028 1.00 1.00 C ATOM 693 O GLN A 45 54.462 -14.318 16.910 1.00 1.00 O ATOM 694 CB GLN A 45 52.432 -14.004 15.088 1.00 1.00 C ATOM 695 CG GLN A 45 53.325 -12.842 14.641 1.00 1.00 C ATOM 696 CD GLN A 45 52.467 -11.638 14.256 1.00 1.00 C ATOM 697 OE1 GLN A 45 52.768 -10.949 13.282 1.00 1.00 O ATOM 698 NE2 GLN A 45 51.408 -11.348 14.961 1.00 1.00 N ATOM 0 H GLN A 45 52.206 -17.114 14.750 1.00 1.00 H new ATOM 0 HA GLN A 45 53.609 -15.507 14.087 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.576 -14.094 14.419 1.00 1.00 H new ATOM 0 HB3 GLN A 45 52.038 -13.808 16.085 1.00 1.00 H new ATOM 0 HG2 GLN A 45 54.009 -12.569 15.445 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.937 -13.149 13.792 1.00 1.00 H new ATOM 0 HE21 GLN A 45 51.160 -11.920 15.768 1.00 1.00 H new ATOM 0 HE22 GLN A 45 50.828 -10.549 14.705 1.00 1.00 H new ATOM 707 N ARG A 46 55.431 -16.023 15.802 1.00 1.00 N ATOM 708 CA ARG A 46 56.662 -15.996 16.594 1.00 1.00 C ATOM 709 C ARG A 46 57.770 -16.756 15.873 1.00 1.00 C ATOM 710 O ARG A 46 58.954 -16.493 16.073 1.00 1.00 O ATOM 711 CB ARG A 46 56.455 -16.599 17.992 1.00 1.00 C ATOM 712 CG ARG A 46 55.923 -18.043 17.897 1.00 1.00 C ATOM 713 CD ARG A 46 54.415 -18.062 17.593 1.00 1.00 C ATOM 714 NE ARG A 46 54.196 -18.136 16.150 1.00 1.00 N ATOM 715 CZ ARG A 46 54.245 -19.300 15.508 1.00 1.00 C ATOM 716 NH1 ARG A 46 54.484 -20.399 16.170 1.00 1.00 N ATOM 717 NH2 ARG A 46 54.055 -19.345 14.218 1.00 1.00 N ATOM 0 H ARG A 46 55.415 -16.739 15.076 1.00 1.00 H new ATOM 0 HA ARG A 46 56.948 -14.951 16.713 1.00 1.00 H new ATOM 0 HB2 ARG A 46 57.398 -16.590 18.539 1.00 1.00 H new ATOM 0 HB3 ARG A 46 55.753 -15.985 18.557 1.00 1.00 H new ATOM 0 HG2 ARG A 46 56.461 -18.581 17.116 1.00 1.00 H new ATOM 0 HG3 ARG A 46 56.114 -18.566 18.834 1.00 1.00 H new ATOM 0 HD2 ARG A 46 53.948 -18.915 18.084 1.00 1.00 H new ATOM 0 HD3 ARG A 46 53.943 -17.165 17.995 1.00 1.00 H new ATOM 0 HE ARG A 46 54.003 -17.282 15.627 1.00 1.00 H new ATOM 0 HH11 ARG A 46 54.633 -20.365 17.178 1.00 1.00 H new ATOM 0 HH12 ARG A 46 54.522 -21.292 15.679 1.00 1.00 H new ATOM 0 HH21 ARG A 46 53.868 -18.487 13.700 1.00 1.00 H new ATOM 0 HH22 ARG A 46 54.093 -20.239 13.728 1.00 1.00 H new ATOM 731 N ASP A 47 57.375 -17.708 15.038 1.00 1.00 N ATOM 732 CA ASP A 47 58.339 -18.510 14.299 1.00 1.00 C ATOM 733 C ASP A 47 58.862 -17.757 13.085 1.00 1.00 C ATOM 734 O ASP A 47 59.723 -18.261 12.363 1.00 1.00 O ATOM 735 CB ASP A 47 57.694 -19.816 13.840 1.00 1.00 C ATOM 736 CG ASP A 47 56.437 -19.524 13.029 1.00 1.00 C ATOM 737 OD1 ASP A 47 55.983 -18.391 13.063 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.946 -20.437 12.385 1.00 1.00 O ATOM 0 H ASP A 47 56.399 -17.942 14.857 1.00 1.00 H new ATOM 0 HA ASP A 47 59.174 -18.725 14.965 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.400 -20.387 13.237 1.00 1.00 H new ATOM 0 HB3 ASP A 47 57.443 -20.430 14.705 1.00 1.00 H new ATOM 743 N LEU A 48 58.350 -16.555 12.857 1.00 1.00 N ATOM 744 CA LEU A 48 58.803 -15.772 11.715 1.00 1.00 C ATOM 745 C LEU A 48 60.293 -15.460 11.860 1.00 1.00 C ATOM 746 O LEU A 48 61.017 -15.390 10.867 1.00 1.00 O ATOM 747 CB LEU A 48 57.994 -14.467 11.575 1.00 1.00 C ATOM 748 CG LEU A 48 58.310 -13.793 10.219 1.00 1.00 C ATOM 749 CD1 LEU A 48 57.427 -14.384 9.111 1.00 1.00 C ATOM 750 CD2 LEU A 48 58.047 -12.284 10.309 1.00 1.00 C ATOM 0 H LEU A 48 57.637 -16.108 13.433 1.00 1.00 H new ATOM 0 HA LEU A 48 58.644 -16.360 10.811 1.00 1.00 H new ATOM 0 HB2 LEU A 48 56.927 -14.681 11.645 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.237 -13.789 12.393 1.00 1.00 H new ATOM 0 HG LEU A 48 59.359 -13.973 9.983 1.00 1.00 H new ATOM 0 HD11 LEU A 48 57.661 -13.900 8.163 1.00 1.00 H new ATOM 0 HD12 LEU A 48 57.615 -15.454 9.028 1.00 1.00 H new ATOM 0 HD13 LEU A 48 56.378 -14.218 9.354 1.00 1.00 H new ATOM 0 HD21 LEU A 48 58.272 -11.818 9.350 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.000 -12.111 10.560 1.00 1.00 H new ATOM 0 HD23 LEU A 48 58.681 -11.850 11.082 1.00 1.00 H new ATOM 762 N TYR A 49 60.751 -15.269 13.100 1.00 1.00 N ATOM 763 CA TYR A 49 62.161 -14.961 13.339 1.00 1.00 C ATOM 764 C TYR A 49 63.062 -16.125 12.926 1.00 1.00 C ATOM 765 O TYR A 49 64.151 -15.915 12.403 1.00 1.00 O ATOM 766 CB TYR A 49 62.408 -14.618 14.814 1.00 1.00 C ATOM 767 CG TYR A 49 61.659 -13.355 15.176 1.00 1.00 C ATOM 768 CD1 TYR A 49 62.227 -12.103 14.913 1.00 1.00 C ATOM 769 CD2 TYR A 49 60.398 -13.437 15.778 1.00 1.00 C ATOM 770 CE1 TYR A 49 61.532 -10.934 15.251 1.00 1.00 C ATOM 771 CE2 TYR A 49 59.704 -12.270 16.117 1.00 1.00 C ATOM 772 CZ TYR A 49 60.271 -11.019 15.854 1.00 1.00 C ATOM 773 OH TYR A 49 59.586 -9.868 16.190 1.00 1.00 O ATOM 0 H TYR A 49 60.176 -15.321 13.941 1.00 1.00 H new ATOM 0 HA TYR A 49 62.408 -14.094 12.727 1.00 1.00 H new ATOM 0 HB2 TYR A 49 62.080 -15.441 15.449 1.00 1.00 H new ATOM 0 HB3 TYR A 49 63.475 -14.483 14.992 1.00 1.00 H new ATOM 0 HD1 TYR A 49 63.200 -12.038 14.450 1.00 1.00 H new ATOM 0 HD2 TYR A 49 59.960 -14.403 15.981 1.00 1.00 H new ATOM 0 HE1 TYR A 49 61.969 -9.968 15.046 1.00 1.00 H new ATOM 0 HE2 TYR A 49 58.731 -12.335 16.581 1.00 1.00 H new ATOM 0 HH TYR A 49 58.727 -10.106 16.598 1.00 1.00 H new ATOM 783 N SER A 50 62.617 -17.353 13.157 1.00 1.00 N ATOM 784 CA SER A 50 63.425 -18.513 12.792 1.00 1.00 C ATOM 785 C SER A 50 63.643 -18.557 11.286 1.00 1.00 C ATOM 786 O SER A 50 64.743 -18.852 10.816 1.00 1.00 O ATOM 787 CB SER A 50 62.739 -19.802 13.252 1.00 1.00 C ATOM 788 OG SER A 50 63.560 -20.917 12.923 1.00 1.00 O ATOM 0 H SER A 50 61.718 -17.572 13.587 1.00 1.00 H new ATOM 0 HA SER A 50 64.392 -18.427 13.287 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.564 -19.770 14.327 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.765 -19.900 12.773 1.00 1.00 H new ATOM 0 HG SER A 50 63.123 -21.743 13.218 1.00 1.00 H new ATOM 794 N GLY A 51 62.591 -18.260 10.534 1.00 1.00 N ATOM 795 CA GLY A 51 62.687 -18.273 9.076 1.00 1.00 C ATOM 796 C GLY A 51 63.345 -16.997 8.563 1.00 1.00 C ATOM 797 O GLY A 51 63.480 -16.805 7.354 1.00 1.00 O ATOM 0 H GLY A 51 61.673 -18.010 10.901 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.264 -19.140 8.753 1.00 1.00 H new ATOM 0 HA3 GLY A 51 61.692 -18.373 8.643 1.00 1.00 H new ATOM 801 N LEU A 52 63.755 -16.129 9.484 1.00 1.00 N ATOM 802 CA LEU A 52 64.398 -14.876 9.087 1.00 1.00 C ATOM 803 C LEU A 52 65.690 -15.169 8.341 1.00 1.00 C ATOM 804 O LEU A 52 65.987 -14.522 7.337 1.00 1.00 O ATOM 805 CB LEU A 52 64.663 -13.968 10.318 1.00 1.00 C ATOM 806 CG LEU A 52 65.355 -12.634 9.924 1.00 1.00 C ATOM 807 CD1 LEU A 52 66.847 -12.855 9.581 1.00 1.00 C ATOM 808 CD2 LEU A 52 64.627 -11.987 8.733 1.00 1.00 C ATOM 0 H LEU A 52 63.657 -16.263 10.490 1.00 1.00 H new ATOM 0 HA LEU A 52 63.724 -14.337 8.421 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.719 -13.752 10.818 1.00 1.00 H new ATOM 0 HB3 LEU A 52 65.288 -14.502 11.034 1.00 1.00 H new ATOM 0 HG LEU A 52 65.302 -11.963 10.781 1.00 1.00 H new ATOM 0 HD11 LEU A 52 67.303 -11.903 9.309 1.00 1.00 H new ATOM 0 HD12 LEU A 52 67.362 -13.270 10.448 1.00 1.00 H new ATOM 0 HD13 LEU A 52 66.929 -13.548 8.744 1.00 1.00 H new ATOM 0 HD21 LEU A 52 65.122 -11.053 8.468 1.00 1.00 H new ATOM 0 HD22 LEU A 52 64.650 -12.665 7.880 1.00 1.00 H new ATOM 0 HD23 LEU A 52 63.592 -11.783 9.006 1.00 1.00 H new ATOM 820 N ASN A 53 66.451 -16.153 8.827 1.00 1.00 N ATOM 821 CA ASN A 53 67.725 -16.518 8.180 1.00 1.00 C ATOM 822 C ASN A 53 67.633 -16.387 6.667 1.00 1.00 C ATOM 823 O ASN A 53 68.605 -15.994 6.021 1.00 1.00 O ATOM 824 CB ASN A 53 68.157 -17.952 8.557 1.00 1.00 C ATOM 825 CG ASN A 53 67.046 -18.943 8.226 1.00 1.00 C ATOM 826 OD1 ASN A 53 65.837 -18.727 8.661 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 67.291 -19.942 7.549 1.00 1.00 N flip ATOM 0 H ASN A 53 66.218 -16.706 9.652 1.00 1.00 H new ATOM 0 HA ASN A 53 68.480 -15.821 8.545 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.065 -18.219 8.017 1.00 1.00 H new ATOM 0 HB3 ASN A 53 68.392 -18.001 9.620 1.00 1.00 H new ATOM 0 HD21 ASN A 53 68.238 -20.108 7.210 1.00 1.00 H new ATOM 0 HD22 ASN A 53 66.546 -20.603 7.327 1.00 1.00 H new ATOM 834 N GLN A 54 66.464 -16.703 6.106 1.00 1.00 N ATOM 835 CA GLN A 54 66.258 -16.618 4.652 1.00 1.00 C ATOM 836 C GLN A 54 67.494 -17.104 3.891 1.00 1.00 C ATOM 837 O GLN A 54 67.653 -16.838 2.701 1.00 1.00 O ATOM 838 CB GLN A 54 65.906 -15.178 4.232 1.00 1.00 C ATOM 839 CG GLN A 54 67.096 -14.227 4.408 1.00 1.00 C ATOM 840 CD GLN A 54 66.738 -12.854 3.846 1.00 1.00 C ATOM 841 OE1 GLN A 54 66.227 -11.999 4.570 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.968 -12.596 2.587 1.00 1.00 N ATOM 0 H GLN A 54 65.648 -17.019 6.630 1.00 1.00 H new ATOM 0 HA GLN A 54 65.421 -17.269 4.398 1.00 1.00 H new ATOM 0 HB2 GLN A 54 65.586 -15.171 3.190 1.00 1.00 H new ATOM 0 HB3 GLN A 54 65.065 -14.821 4.826 1.00 1.00 H new ATOM 0 HG2 GLN A 54 67.355 -14.143 5.463 1.00 1.00 H new ATOM 0 HG3 GLN A 54 67.972 -14.625 3.895 1.00 1.00 H new ATOM 0 HE21 GLN A 54 67.391 -13.306 1.990 1.00 1.00 H new ATOM 0 HE22 GLN A 54 66.724 -11.684 2.200 1.00 1.00 H new ATOM 851 N ARG A 55 68.369 -17.801 4.598 1.00 1.00 N ATOM 852 CA ARG A 55 69.600 -18.311 3.999 1.00 1.00 C ATOM 853 C ARG A 55 70.526 -17.151 3.610 1.00 1.00 C ATOM 854 O ARG A 55 70.153 -16.282 2.821 1.00 1.00 O ATOM 855 CB ARG A 55 69.245 -19.233 2.793 1.00 1.00 C ATOM 856 CG ARG A 55 69.730 -18.684 1.429 1.00 1.00 C ATOM 857 CD ARG A 55 71.275 -18.631 1.354 1.00 1.00 C ATOM 858 NE ARG A 55 71.740 -19.385 0.195 1.00 1.00 N ATOM 859 CZ ARG A 55 71.781 -18.838 -1.016 1.00 1.00 C ATOM 860 NH1 ARG A 55 71.444 -17.590 -1.179 1.00 1.00 N ATOM 861 NH2 ARG A 55 72.161 -19.549 -2.040 1.00 1.00 N ATOM 0 H ARG A 55 68.254 -18.028 5.586 1.00 1.00 H new ATOM 0 HA ARG A 55 70.148 -18.914 4.723 1.00 1.00 H new ATOM 0 HB2 ARG A 55 69.685 -20.217 2.957 1.00 1.00 H new ATOM 0 HB3 ARG A 55 68.164 -19.370 2.757 1.00 1.00 H new ATOM 0 HG2 ARG A 55 69.347 -19.314 0.626 1.00 1.00 H new ATOM 0 HG3 ARG A 55 69.323 -17.685 1.272 1.00 1.00 H new ATOM 0 HD2 ARG A 55 71.609 -17.596 1.284 1.00 1.00 H new ATOM 0 HD3 ARG A 55 71.707 -19.045 2.265 1.00 1.00 H new ATOM 0 HE ARG A 55 72.040 -20.352 0.316 1.00 1.00 H new ATOM 0 HH11 ARG A 55 71.149 -17.033 -0.377 1.00 1.00 H new ATOM 0 HH12 ARG A 55 71.476 -17.170 -2.108 1.00 1.00 H new ATOM 0 HH21 ARG A 55 72.427 -20.525 -1.912 1.00 1.00 H new ATOM 0 HH22 ARG A 55 72.192 -19.129 -2.969 1.00 1.00 H new ATOM 875 N ALA A 56 71.731 -17.161 4.205 1.00 1.00 N ATOM 876 CA ALA A 56 72.770 -16.134 3.974 1.00 1.00 C ATOM 877 C ALA A 56 72.277 -15.009 3.070 1.00 1.00 C ATOM 878 O ALA A 56 72.739 -14.861 1.939 1.00 1.00 O ATOM 879 CB ALA A 56 74.024 -16.769 3.353 1.00 1.00 C ATOM 0 H ALA A 56 72.017 -17.885 4.864 1.00 1.00 H new ATOM 0 HA ALA A 56 73.013 -15.706 4.947 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.779 -16.000 3.190 1.00 1.00 H new ATOM 0 HB2 ALA A 56 74.420 -17.528 4.028 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.764 -17.231 2.400 1.00 1.00 H new ATOM 885 N VAL A 57 71.331 -14.239 3.586 1.00 1.00 N ATOM 886 CA VAL A 57 70.741 -13.117 2.841 1.00 1.00 C ATOM 887 C VAL A 57 71.779 -12.446 1.935 1.00 1.00 C ATOM 888 O VAL A 57 72.951 -12.502 2.265 1.00 1.00 O ATOM 889 CB VAL A 57 70.164 -12.084 3.818 1.00 1.00 C ATOM 890 CG1 VAL A 57 71.236 -11.693 4.839 1.00 1.00 C ATOM 891 CG2 VAL A 57 69.710 -10.837 3.049 1.00 1.00 C ATOM 892 OXT VAL A 57 71.381 -11.889 0.923 1.00 1.00 O ATOM 0 H VAL A 57 70.948 -14.365 4.523 1.00 1.00 H new ATOM 0 HA VAL A 57 69.942 -13.513 2.213 1.00 1.00 H new ATOM 0 HB VAL A 57 69.308 -12.518 4.335 1.00 1.00 H new ATOM 0 HG11 VAL A 57 70.827 -10.959 5.533 1.00 1.00 H new ATOM 0 HG12 VAL A 57 71.553 -12.578 5.391 1.00 1.00 H new ATOM 0 HG13 VAL A 57 72.093 -11.263 4.320 1.00 1.00 H new ATOM 0 HG21 VAL A 57 69.301 -10.107 3.748 1.00 1.00 H new ATOM 0 HG22 VAL A 57 70.562 -10.402 2.527 1.00 1.00 H new ATOM 0 HG23 VAL A 57 68.944 -11.115 2.325 1.00 1.00 H new TER 902 VAL A 57