USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 606 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 58 ASN : amide:sc= -2.26! K(o=-4.4!,f=-1.6) USER MOD Set 1.2: A 60 GLN : amide:sc= -2.18 K(o=-4.4,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.471! USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.53) USER MOD Single : A 18 THR OG1 : rot -123:sc= 0.267 USER MOD Single : A 22 SER OG : rot -135:sc= -1.86 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 30 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.6!) USER MOD Single : A 31 TYR OH : rot 30:sc= -0.688 USER MOD Single : A 32 THR OG1 : rot 146:sc= -2.26 USER MOD Single : A 38 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-1.2) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0633 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 MET CE :methyl 133:sc= -1.19 (180deg=-3.49!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0428 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00728) USER MOD Single : A 93 HIS : no HE2:sc= -1.8! C(o=-1.8!,f=-3.7!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.098 12.711 10.497 1.00 0.00 N ATOM 2 CA GLY A 1 -23.300 11.683 9.852 1.00 0.00 C ATOM 3 C GLY A 1 -23.470 10.335 10.555 1.00 0.00 C ATOM 4 O GLY A 1 -22.724 10.013 11.478 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.965 13.616 10.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.102 12.442 10.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.799 12.812 11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.595 11.592 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.249 11.973 9.863 1.00 0.00 H new ATOM 8 N SER A 2 -24.457 9.582 10.091 1.00 0.00 N ATOM 9 CA SER A 2 -24.735 8.276 10.663 1.00 0.00 C ATOM 10 C SER A 2 -24.738 7.212 9.565 1.00 0.00 C ATOM 11 O SER A 2 -25.027 7.512 8.407 1.00 0.00 O ATOM 12 CB SER A 2 -26.071 8.274 11.408 1.00 0.00 C ATOM 13 OG SER A 2 -27.175 8.459 10.526 1.00 0.00 O ATOM 0 H SER A 2 -25.074 9.852 9.325 1.00 0.00 H new ATOM 0 HA SER A 2 -23.949 8.044 11.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.187 7.330 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.069 9.065 12.157 1.00 0.00 H new ATOM 0 HG SER A 2 -28.009 8.450 11.040 1.00 0.00 H new ATOM 18 N SER A 3 -24.413 5.992 9.965 1.00 0.00 N ATOM 19 CA SER A 3 -24.374 4.882 9.028 1.00 0.00 C ATOM 20 C SER A 3 -25.793 4.523 8.583 1.00 0.00 C ATOM 21 O SER A 3 -26.713 4.487 9.400 1.00 0.00 O ATOM 22 CB SER A 3 -23.687 3.663 9.646 1.00 0.00 C ATOM 23 OG SER A 3 -22.465 3.346 8.985 1.00 0.00 O ATOM 0 H SER A 3 -24.174 5.747 10.926 1.00 0.00 H new ATOM 0 HA SER A 3 -23.794 5.189 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.489 3.854 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.358 2.806 9.598 1.00 0.00 H new ATOM 0 HG SER A 3 -22.057 2.563 9.410 1.00 0.00 H new ATOM 28 N GLY A 4 -25.928 4.267 7.291 1.00 0.00 N ATOM 29 CA GLY A 4 -27.219 3.911 6.728 1.00 0.00 C ATOM 30 C GLY A 4 -27.072 2.829 5.657 1.00 0.00 C ATOM 31 O GLY A 4 -26.041 2.163 5.580 1.00 0.00 O ATOM 0 H GLY A 4 -25.163 4.299 6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.879 3.557 7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.687 4.795 6.295 1.00 0.00 H new ATOM 35 N SER A 5 -28.119 2.687 4.858 1.00 0.00 N ATOM 36 CA SER A 5 -28.119 1.696 3.794 1.00 0.00 C ATOM 37 C SER A 5 -28.933 2.208 2.603 1.00 0.00 C ATOM 38 O SER A 5 -30.142 2.403 2.711 1.00 0.00 O ATOM 39 CB SER A 5 -28.680 0.361 4.285 1.00 0.00 C ATOM 40 OG SER A 5 -28.051 -0.749 3.650 1.00 0.00 O ATOM 0 H SER A 5 -28.973 3.241 4.925 1.00 0.00 H new ATOM 0 HA SER A 5 -27.089 1.532 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.545 0.286 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.753 0.327 4.095 1.00 0.00 H new ATOM 0 HG SER A 5 -28.436 -1.583 3.992 1.00 0.00 H new ATOM 45 N SER A 6 -28.236 2.411 1.495 1.00 0.00 N ATOM 46 CA SER A 6 -28.879 2.895 0.285 1.00 0.00 C ATOM 47 C SER A 6 -27.896 2.844 -0.886 1.00 0.00 C ATOM 48 O SER A 6 -26.960 3.641 -0.951 1.00 0.00 O ATOM 49 CB SER A 6 -29.406 4.319 0.474 1.00 0.00 C ATOM 50 OG SER A 6 -30.269 4.714 -0.589 1.00 0.00 O ATOM 0 H SER A 6 -27.233 2.249 1.410 1.00 0.00 H new ATOM 0 HA SER A 6 -29.728 2.248 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.943 4.384 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.566 5.011 0.536 1.00 0.00 H new ATOM 0 HG SER A 6 -30.586 5.628 -0.431 1.00 0.00 H new ATOM 55 N GLY A 7 -28.140 1.900 -1.783 1.00 0.00 N ATOM 56 CA GLY A 7 -27.289 1.734 -2.948 1.00 0.00 C ATOM 57 C GLY A 7 -25.923 1.167 -2.553 1.00 0.00 C ATOM 58 O GLY A 7 -25.228 1.741 -1.717 1.00 0.00 O ATOM 0 H GLY A 7 -28.917 1.241 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.771 1.067 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.158 2.694 -3.447 1.00 0.00 H new ATOM 62 N THR A 8 -25.582 0.047 -3.172 1.00 0.00 N ATOM 63 CA THR A 8 -24.313 -0.604 -2.897 1.00 0.00 C ATOM 64 C THR A 8 -23.508 -0.771 -4.187 1.00 0.00 C ATOM 65 O THR A 8 -22.448 -1.396 -4.184 1.00 0.00 O ATOM 66 CB THR A 8 -24.605 -1.928 -2.186 1.00 0.00 C ATOM 67 OG1 THR A 8 -23.346 -2.595 -2.165 1.00 0.00 O ATOM 68 CG2 THR A 8 -25.501 -2.850 -3.014 1.00 0.00 C ATOM 0 H THR A 8 -26.163 -0.427 -3.864 1.00 0.00 H new ATOM 0 HA THR A 8 -23.691 0.004 -2.240 1.00 0.00 H new ATOM 0 HB THR A 8 -25.079 -1.728 -1.225 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.798 -2.284 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 8 -25.678 -3.775 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 -26.453 -2.355 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 8 -25.012 -3.078 -3.961 1.00 0.00 H new ATOM 76 N CYS A 9 -24.041 -0.202 -5.257 1.00 0.00 N ATOM 77 CA CYS A 9 -23.385 -0.280 -6.551 1.00 0.00 C ATOM 78 C CYS A 9 -23.997 0.783 -7.465 1.00 0.00 C ATOM 79 O CYS A 9 -24.790 0.464 -8.351 1.00 0.00 O ATOM 80 CB CYS A 9 -23.491 -1.682 -7.156 1.00 0.00 C ATOM 81 SG CYS A 9 -21.879 -2.183 -7.862 1.00 0.00 S ATOM 0 H CYS A 9 -24.920 0.315 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 9 -22.319 -0.086 -6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -23.799 -2.395 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -24.257 -1.695 -7.932 1.00 0.00 H new ATOM 0 HG CYS A 9 -21.980 -3.375 -8.371 1.00 0.00 H new ATOM 86 N VAL A 10 -23.606 2.024 -7.221 1.00 0.00 N ATOM 87 CA VAL A 10 -24.106 3.137 -8.010 1.00 0.00 C ATOM 88 C VAL A 10 -23.054 4.247 -8.045 1.00 0.00 C ATOM 89 O VAL A 10 -22.603 4.712 -6.999 1.00 0.00 O ATOM 90 CB VAL A 10 -25.454 3.607 -7.457 1.00 0.00 C ATOM 91 CG1 VAL A 10 -25.346 3.949 -5.969 1.00 0.00 C ATOM 92 CG2 VAL A 10 -25.989 4.798 -8.256 1.00 0.00 C ATOM 0 H VAL A 10 -22.947 2.284 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 10 -24.283 2.826 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 10 -26.164 2.787 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -26.317 4.280 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -25.029 3.065 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -24.615 4.745 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -26.947 5.112 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -25.280 5.624 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -26.121 4.507 -9.298 1.00 0.00 H new ATOM 102 N PHE A 11 -22.692 4.638 -9.258 1.00 0.00 N ATOM 103 CA PHE A 11 -21.702 5.684 -9.442 1.00 0.00 C ATOM 104 C PHE A 11 -20.548 5.528 -8.450 1.00 0.00 C ATOM 105 O PHE A 11 -20.581 6.098 -7.359 1.00 0.00 O ATOM 106 CB PHE A 11 -22.405 7.018 -9.183 1.00 0.00 C ATOM 107 CG PHE A 11 -21.896 8.169 -10.051 1.00 0.00 C ATOM 108 CD1 PHE A 11 -20.589 8.543 -9.988 1.00 0.00 C ATOM 109 CD2 PHE A 11 -22.748 8.821 -10.887 1.00 0.00 C ATOM 110 CE1 PHE A 11 -20.116 9.612 -10.795 1.00 0.00 C ATOM 111 CE2 PHE A 11 -22.276 9.890 -11.693 1.00 0.00 C ATOM 112 CZ PHE A 11 -20.970 10.263 -11.630 1.00 0.00 C ATOM 0 H PHE A 11 -23.067 4.249 -10.123 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.289 5.631 -10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -23.474 6.893 -9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -22.280 7.285 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -19.911 8.027 -9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -23.785 8.525 -10.938 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -19.078 9.908 -10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -22.954 10.407 -12.356 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.611 11.076 -12.243 1.00 0.00 H new ATOM 121 N GLU A 12 -19.555 4.754 -8.862 1.00 0.00 N ATOM 122 CA GLU A 12 -18.393 4.516 -8.022 1.00 0.00 C ATOM 123 C GLU A 12 -17.175 5.253 -8.580 1.00 0.00 C ATOM 124 O GLU A 12 -16.493 4.746 -9.471 1.00 0.00 O ATOM 125 CB GLU A 12 -18.114 3.018 -7.885 1.00 0.00 C ATOM 126 CG GLU A 12 -17.064 2.753 -6.805 1.00 0.00 C ATOM 127 CD GLU A 12 -16.294 1.463 -7.093 1.00 0.00 C ATOM 128 OE1 GLU A 12 -15.299 1.551 -7.845 1.00 0.00 O ATOM 129 OE2 GLU A 12 -16.718 0.416 -6.555 1.00 0.00 O ATOM 0 H GLU A 12 -19.531 4.283 -9.767 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.603 4.905 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.037 2.494 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.768 2.620 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.370 3.592 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.549 2.682 -5.831 1.00 0.00 H new ATOM 134 N LYS A 13 -16.938 6.437 -8.036 1.00 0.00 N ATOM 135 CA LYS A 13 -15.813 7.249 -8.470 1.00 0.00 C ATOM 136 C LYS A 13 -15.202 7.954 -7.258 1.00 0.00 C ATOM 137 O LYS A 13 -15.334 9.169 -7.109 1.00 0.00 O ATOM 138 CB LYS A 13 -16.240 8.204 -9.586 1.00 0.00 C ATOM 139 CG LYS A 13 -15.543 7.853 -10.903 1.00 0.00 C ATOM 140 CD LYS A 13 -16.457 7.017 -11.801 1.00 0.00 C ATOM 141 CE LYS A 13 -16.240 7.360 -13.276 1.00 0.00 C ATOM 142 NZ LYS A 13 -16.060 6.127 -14.074 1.00 0.00 N ATOM 0 H LYS A 13 -17.506 6.854 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.033 6.621 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.321 8.155 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.999 9.229 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.255 8.768 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.626 7.301 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.262 5.957 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.498 7.195 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.093 7.923 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.364 8.000 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.914 6.378 -15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.232 5.605 -13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.908 5.531 -13.987 1.00 0.00 H new ATOM 152 N GLU A 14 -14.548 7.164 -6.420 1.00 0.00 N ATOM 153 CA GLU A 14 -13.917 7.698 -5.225 1.00 0.00 C ATOM 154 C GLU A 14 -12.394 7.607 -5.343 1.00 0.00 C ATOM 155 O GLU A 14 -11.875 6.842 -6.154 1.00 0.00 O ATOM 156 CB GLU A 14 -14.412 6.972 -3.972 1.00 0.00 C ATOM 157 CG GLU A 14 -15.404 7.838 -3.194 1.00 0.00 C ATOM 158 CD GLU A 14 -15.963 7.083 -1.986 1.00 0.00 C ATOM 159 OE1 GLU A 14 -15.173 6.856 -1.044 1.00 0.00 O ATOM 160 OE2 GLU A 14 -17.166 6.749 -2.032 1.00 0.00 O ATOM 0 H GLU A 14 -14.441 6.157 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.194 8.748 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.887 6.033 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.565 6.721 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.911 8.751 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.221 8.139 -3.849 1.00 0.00 H new ATOM 165 N ASN A 15 -11.720 8.402 -4.525 1.00 0.00 N ATOM 166 CA ASN A 15 -10.267 8.421 -4.528 1.00 0.00 C ATOM 167 C ASN A 15 -9.764 8.819 -3.138 1.00 0.00 C ATOM 168 O ASN A 15 -10.397 9.618 -2.450 1.00 0.00 O ATOM 169 CB ASN A 15 -9.732 9.441 -5.534 1.00 0.00 C ATOM 170 CG ASN A 15 -10.084 10.868 -5.109 1.00 0.00 C ATOM 171 OD1 ASN A 15 -9.393 11.498 -4.324 1.00 0.00 O ATOM 172 ND2 ASN A 15 -11.194 11.342 -5.667 1.00 0.00 N ATOM 0 H ASN A 15 -12.153 9.038 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.917 7.426 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.650 9.340 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.150 9.238 -6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.513 12.285 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.726 10.762 -6.316 1.00 0.00 H new ATOM 178 N ASP A 16 -8.629 8.243 -2.768 1.00 0.00 N ATOM 179 CA ASP A 16 -8.033 8.527 -1.473 1.00 0.00 C ATOM 180 C ASP A 16 -6.674 7.832 -1.379 1.00 0.00 C ATOM 181 O ASP A 16 -6.552 6.652 -1.706 1.00 0.00 O ATOM 182 CB ASP A 16 -8.913 8.004 -0.336 1.00 0.00 C ATOM 183 CG ASP A 16 -9.578 9.086 0.518 1.00 0.00 C ATOM 184 OD1 ASP A 16 -10.367 9.862 -0.064 1.00 0.00 O ATOM 185 OD2 ASP A 16 -9.281 9.114 1.732 1.00 0.00 O ATOM 0 H ASP A 16 -8.107 7.581 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.928 9.608 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.690 7.369 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.305 7.373 0.313 1.00 0.00 H new ATOM 189 N PRO A 17 -5.661 8.611 -0.917 1.00 0.00 N ATOM 190 CA PRO A 17 -4.315 8.083 -0.774 1.00 0.00 C ATOM 191 C PRO A 17 -4.212 7.166 0.446 1.00 0.00 C ATOM 192 O PRO A 17 -3.315 6.327 0.523 1.00 0.00 O ATOM 193 CB PRO A 17 -3.419 9.307 -0.675 1.00 0.00 C ATOM 194 CG PRO A 17 -4.334 10.462 -0.299 1.00 0.00 C ATOM 195 CD PRO A 17 -5.768 10.012 -0.519 1.00 0.00 C ATOM 0 HA PRO A 17 -4.018 7.457 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.642 9.163 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.915 9.500 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.179 10.748 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.112 11.339 -0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.361 10.121 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.255 10.607 -1.291 1.00 0.00 H new ATOM 200 N THR A 18 -5.142 7.357 1.369 1.00 0.00 N ATOM 201 CA THR A 18 -5.167 6.558 2.583 1.00 0.00 C ATOM 202 C THR A 18 -5.511 5.103 2.256 1.00 0.00 C ATOM 203 O THR A 18 -4.860 4.182 2.749 1.00 0.00 O ATOM 204 CB THR A 18 -6.150 7.210 3.557 1.00 0.00 C ATOM 205 OG1 THR A 18 -7.334 7.394 2.785 1.00 0.00 O ATOM 206 CG2 THR A 18 -5.734 8.629 3.948 1.00 0.00 C ATOM 0 H THR A 18 -5.884 8.053 1.301 1.00 0.00 H new ATOM 0 HA THR A 18 -4.187 6.529 3.058 1.00 0.00 H new ATOM 0 HB THR A 18 -6.232 6.597 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.580 8.343 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.466 9.045 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.755 8.602 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.684 9.252 3.055 1.00 0.00 H new ATOM 214 N VAL A 19 -6.532 4.941 1.427 1.00 0.00 N ATOM 215 CA VAL A 19 -6.968 3.613 1.028 1.00 0.00 C ATOM 216 C VAL A 19 -6.168 3.164 -0.196 1.00 0.00 C ATOM 217 O VAL A 19 -6.248 3.785 -1.256 1.00 0.00 O ATOM 218 CB VAL A 19 -8.479 3.610 0.790 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.843 4.449 -0.436 1.00 0.00 C ATOM 220 CG2 VAL A 19 -9.009 2.181 0.654 1.00 0.00 C ATOM 0 H VAL A 19 -7.070 5.707 1.021 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.776 2.892 1.823 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.956 4.063 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.923 4.430 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.516 5.477 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.350 4.038 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.086 2.207 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.521 1.691 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.798 1.626 1.568 1.00 0.00 H new ATOM 230 N LEU A 20 -5.417 2.089 -0.011 1.00 0.00 N ATOM 231 CA LEU A 20 -4.603 1.549 -1.087 1.00 0.00 C ATOM 232 C LEU A 20 -5.501 0.793 -2.069 1.00 0.00 C ATOM 233 O LEU A 20 -5.902 -0.339 -1.804 1.00 0.00 O ATOM 234 CB LEU A 20 -3.460 0.704 -0.523 1.00 0.00 C ATOM 235 CG LEU A 20 -2.072 1.349 -0.550 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.153 0.715 0.496 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.468 1.292 -1.954 1.00 0.00 C ATOM 0 H LEU A 20 -5.355 1.577 0.869 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.126 2.355 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.699 0.447 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.415 -0.231 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.179 2.402 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.173 1.191 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.583 0.852 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.047 -0.350 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.482 1.757 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.376 0.252 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.115 1.826 -2.650 1.00 0.00 H new ATOM 248 N ARG A 21 -5.791 1.450 -3.183 1.00 0.00 N ATOM 249 CA ARG A 21 -6.634 0.854 -4.205 1.00 0.00 C ATOM 250 C ARG A 21 -5.777 0.120 -5.237 1.00 0.00 C ATOM 251 O ARG A 21 -4.765 0.647 -5.697 1.00 0.00 O ATOM 252 CB ARG A 21 -7.475 1.917 -4.914 1.00 0.00 C ATOM 253 CG ARG A 21 -8.605 2.415 -4.011 1.00 0.00 C ATOM 254 CD ARG A 21 -9.609 3.257 -4.800 1.00 0.00 C ATOM 255 NE ARG A 21 -10.963 3.102 -4.226 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.783 2.078 -4.501 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.390 1.114 -5.345 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.995 2.020 -3.934 1.00 0.00 N ATOM 0 H ARG A 21 -5.457 2.389 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.302 0.147 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.840 2.754 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.894 1.502 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.115 1.564 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.189 3.008 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.313 4.306 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.611 2.949 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.294 3.819 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.467 1.160 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.013 0.334 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.294 2.755 -3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.619 1.241 -4.143 1.00 0.00 H new ATOM 269 N SER A 22 -6.214 -1.086 -5.572 1.00 0.00 N ATOM 270 CA SER A 22 -5.498 -1.898 -6.543 1.00 0.00 C ATOM 271 C SER A 22 -5.432 -1.169 -7.887 1.00 0.00 C ATOM 272 O SER A 22 -6.445 -0.679 -8.381 1.00 0.00 O ATOM 273 CB SER A 22 -6.163 -3.265 -6.713 1.00 0.00 C ATOM 274 OG SER A 22 -5.659 -3.967 -7.846 1.00 0.00 O ATOM 0 H SER A 22 -7.054 -1.520 -5.189 1.00 0.00 H new ATOM 0 HA SER A 22 -4.485 -2.060 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.000 -3.861 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.240 -3.134 -6.818 1.00 0.00 H new ATOM 0 HG SER A 22 -6.405 -4.352 -8.351 1.00 0.00 H new ATOM 279 N PRO A 23 -4.196 -1.122 -8.453 1.00 0.00 N ATOM 280 CA PRO A 23 -3.983 -0.462 -9.730 1.00 0.00 C ATOM 281 C PRO A 23 -4.517 -1.314 -10.883 1.00 0.00 C ATOM 282 O PRO A 23 -4.897 -0.786 -11.926 1.00 0.00 O ATOM 283 CB PRO A 23 -2.484 -0.229 -9.808 1.00 0.00 C ATOM 284 CG PRO A 23 -1.862 -1.176 -8.795 1.00 0.00 C ATOM 285 CD PRO A 23 -2.973 -1.692 -7.895 1.00 0.00 C ATOM 0 HA PRO A 23 -4.523 0.481 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.109 -0.430 -10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.237 0.807 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.365 -2.004 -9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.103 -0.661 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.008 -2.781 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.825 -1.377 -6.862 1.00 0.00 H new ATOM 290 N SER A 24 -4.527 -2.620 -10.656 1.00 0.00 N ATOM 291 CA SER A 24 -5.008 -3.550 -11.663 1.00 0.00 C ATOM 292 C SER A 24 -5.294 -4.911 -11.024 1.00 0.00 C ATOM 293 O SER A 24 -4.838 -5.188 -9.916 1.00 0.00 O ATOM 294 CB SER A 24 -3.997 -3.701 -12.801 1.00 0.00 C ATOM 295 OG SER A 24 -4.629 -3.997 -14.043 1.00 0.00 O ATOM 0 H SER A 24 -4.210 -3.055 -9.790 1.00 0.00 H new ATOM 0 HA SER A 24 -5.931 -3.151 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.421 -2.781 -12.898 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.291 -4.495 -12.556 1.00 0.00 H new ATOM 0 HG SER A 24 -3.949 -4.084 -14.743 1.00 0.00 H new ATOM 300 N ALA A 25 -6.048 -5.723 -11.750 1.00 0.00 N ATOM 301 CA ALA A 25 -6.400 -7.048 -11.269 1.00 0.00 C ATOM 302 C ALA A 25 -5.122 -7.841 -10.988 1.00 0.00 C ATOM 303 O ALA A 25 -4.018 -7.350 -11.222 1.00 0.00 O ATOM 304 CB ALA A 25 -7.303 -7.740 -12.291 1.00 0.00 C ATOM 0 H ALA A 25 -6.425 -5.489 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.958 -6.981 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.567 -8.734 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.210 -7.153 -12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.777 -7.827 -13.241 1.00 0.00 H new ATOM 310 N GLY A 26 -5.313 -9.053 -10.490 1.00 0.00 N ATOM 311 CA GLY A 26 -4.189 -9.919 -10.175 1.00 0.00 C ATOM 312 C GLY A 26 -4.578 -10.962 -9.125 1.00 0.00 C ATOM 313 O GLY A 26 -5.677 -11.512 -9.168 1.00 0.00 O ATOM 0 H GLY A 26 -6.230 -9.457 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.846 -10.420 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.356 -9.320 -9.807 1.00 0.00 H new ATOM 317 N LYS A 27 -3.654 -11.203 -8.207 1.00 0.00 N ATOM 318 CA LYS A 27 -3.885 -12.170 -7.147 1.00 0.00 C ATOM 319 C LYS A 27 -2.893 -11.922 -6.010 1.00 0.00 C ATOM 320 O LYS A 27 -1.736 -12.332 -6.090 1.00 0.00 O ATOM 321 CB LYS A 27 -3.840 -13.594 -7.703 1.00 0.00 C ATOM 322 CG LYS A 27 -4.861 -14.491 -6.997 1.00 0.00 C ATOM 323 CD LYS A 27 -5.278 -15.658 -7.894 1.00 0.00 C ATOM 324 CE LYS A 27 -6.784 -15.914 -7.794 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.305 -16.445 -9.072 1.00 0.00 N ATOM 0 H LYS A 27 -2.743 -10.745 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.884 -12.046 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.044 -13.577 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.839 -14.006 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.434 -14.874 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.739 -13.905 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.010 -15.441 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.733 -16.556 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.986 -16.622 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.300 -14.988 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.328 -16.613 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.129 -15.756 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.825 -17.339 -9.298 1.00 0.00 H new ATOM 335 N LEU A 28 -3.381 -11.251 -4.976 1.00 0.00 N ATOM 336 CA LEU A 28 -2.550 -10.944 -3.824 1.00 0.00 C ATOM 337 C LEU A 28 -1.715 -12.173 -3.461 1.00 0.00 C ATOM 338 O LEU A 28 -2.056 -13.293 -3.835 1.00 0.00 O ATOM 339 CB LEU A 28 -3.409 -10.421 -2.670 1.00 0.00 C ATOM 340 CG LEU A 28 -2.646 -9.896 -1.452 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.705 -8.755 -1.844 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.610 -9.486 -0.337 1.00 0.00 C ATOM 0 H LEU A 28 -4.341 -10.912 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.851 -10.142 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.044 -9.620 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.070 -11.223 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.027 -10.704 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.175 -8.400 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.985 -9.114 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.284 -7.937 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.042 -9.117 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.273 -8.700 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.203 -10.349 -0.033 1.00 0.00 H new ATOM 353 N THR A 29 -0.635 -11.920 -2.736 1.00 0.00 N ATOM 354 CA THR A 29 0.253 -12.992 -2.318 1.00 0.00 C ATOM 355 C THR A 29 0.585 -12.860 -0.831 1.00 0.00 C ATOM 356 O THR A 29 0.278 -13.752 -0.041 1.00 0.00 O ATOM 357 CB THR A 29 1.488 -12.962 -3.221 1.00 0.00 C ATOM 358 OG1 THR A 29 2.032 -11.660 -3.024 1.00 0.00 O ATOM 359 CG2 THR A 29 1.127 -12.994 -4.707 1.00 0.00 C ATOM 0 H THR A 29 -0.355 -10.989 -2.428 1.00 0.00 H new ATOM 0 HA THR A 29 -0.224 -13.966 -2.427 1.00 0.00 H new ATOM 0 HB THR A 29 2.130 -13.810 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.838 -11.556 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.039 -12.971 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.572 -13.906 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.512 -12.128 -4.951 1.00 0.00 H new ATOM 367 N GLN A 30 1.208 -11.741 -0.493 1.00 0.00 N ATOM 368 CA GLN A 30 1.584 -11.480 0.886 1.00 0.00 C ATOM 369 C GLN A 30 2.262 -10.113 1.003 1.00 0.00 C ATOM 370 O GLN A 30 2.644 -9.519 -0.004 1.00 0.00 O ATOM 371 CB GLN A 30 2.491 -12.589 1.426 1.00 0.00 C ATOM 372 CG GLN A 30 3.810 -12.642 0.654 1.00 0.00 C ATOM 373 CD GLN A 30 4.964 -13.061 1.567 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.836 -13.129 2.779 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.093 -13.337 0.921 1.00 0.00 N ATOM 0 H GLN A 30 1.462 -11.004 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 30 0.678 -11.467 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.691 -12.417 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.982 -13.550 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.723 -13.346 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.021 -11.664 0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.131 -13.260 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.921 -13.626 1.442 1.00 0.00 H new ATOM 382 N TYR A 31 2.390 -9.655 2.239 1.00 0.00 N ATOM 383 CA TYR A 31 3.014 -8.369 2.500 1.00 0.00 C ATOM 384 C TYR A 31 4.518 -8.526 2.726 1.00 0.00 C ATOM 385 O TYR A 31 4.998 -9.627 2.995 1.00 0.00 O ATOM 386 CB TYR A 31 2.370 -7.840 3.783 1.00 0.00 C ATOM 387 CG TYR A 31 0.930 -7.353 3.602 1.00 0.00 C ATOM 388 CD1 TYR A 31 -0.072 -8.255 3.308 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.635 -6.011 3.732 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.426 -7.796 3.137 1.00 0.00 C ATOM 391 CE2 TYR A 31 -0.719 -5.553 3.561 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.683 -6.468 3.273 1.00 0.00 C ATOM 393 OH TYR A 31 -2.962 -6.035 3.111 1.00 0.00 O ATOM 0 H TYR A 31 2.072 -10.152 3.071 1.00 0.00 H new ATOM 0 HA TYR A 31 2.874 -7.696 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.384 -8.628 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.974 -7.019 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.159 -9.305 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.419 -5.305 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.220 -8.491 2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.964 -4.506 3.659 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.584 -6.743 3.379 1.00 0.00 H new ATOM 402 N THR A 32 5.222 -7.410 2.611 1.00 0.00 N ATOM 403 CA THR A 32 6.663 -7.409 2.799 1.00 0.00 C ATOM 404 C THR A 32 7.033 -6.650 4.074 1.00 0.00 C ATOM 405 O THR A 32 8.200 -6.616 4.464 1.00 0.00 O ATOM 406 CB THR A 32 7.305 -6.829 1.537 1.00 0.00 C ATOM 407 OG1 THR A 32 6.882 -5.468 1.528 1.00 0.00 O ATOM 408 CG2 THR A 32 6.710 -7.414 0.255 1.00 0.00 C ATOM 0 H THR A 32 4.821 -6.499 2.390 1.00 0.00 H new ATOM 0 HA THR A 32 7.045 -8.420 2.938 1.00 0.00 H new ATOM 0 HB THR A 32 8.379 -7.017 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.592 -4.907 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.201 -6.969 -0.610 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.862 -8.493 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.642 -7.198 0.218 1.00 0.00 H new ATOM 416 N VAL A 33 6.019 -6.059 4.689 1.00 0.00 N ATOM 417 CA VAL A 33 6.224 -5.302 5.912 1.00 0.00 C ATOM 418 C VAL A 33 5.438 -5.957 7.049 1.00 0.00 C ATOM 419 O VAL A 33 4.590 -6.814 6.810 1.00 0.00 O ATOM 420 CB VAL A 33 5.845 -3.836 5.689 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.503 -3.286 4.422 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.326 -3.664 5.637 1.00 0.00 C ATOM 0 H VAL A 33 5.053 -6.089 4.363 1.00 0.00 H new ATOM 0 HA VAL A 33 7.276 -5.312 6.197 1.00 0.00 H new ATOM 0 HB VAL A 33 6.218 -3.261 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.217 -2.243 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.587 -3.356 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.174 -3.867 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.084 -2.613 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.920 -4.258 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.890 -3.998 6.578 1.00 0.00 H new ATOM 432 N GLU A 34 5.749 -5.527 8.264 1.00 0.00 N ATOM 433 CA GLU A 34 5.082 -6.061 9.439 1.00 0.00 C ATOM 434 C GLU A 34 3.876 -5.192 9.806 1.00 0.00 C ATOM 435 O GLU A 34 3.597 -4.198 9.138 1.00 0.00 O ATOM 436 CB GLU A 34 6.053 -6.176 10.617 1.00 0.00 C ATOM 437 CG GLU A 34 6.559 -7.611 10.771 1.00 0.00 C ATOM 438 CD GLU A 34 6.155 -8.191 12.127 1.00 0.00 C ATOM 439 OE1 GLU A 34 4.957 -8.518 12.271 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.053 -8.297 12.990 1.00 0.00 O ATOM 0 H GLU A 34 6.453 -4.816 8.459 1.00 0.00 H new ATOM 0 HA GLU A 34 4.725 -7.064 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.897 -5.503 10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.556 -5.861 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.154 -8.231 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.644 -7.631 10.672 1.00 0.00 H new ATOM 445 N ASP A 35 3.194 -5.601 10.867 1.00 0.00 N ATOM 446 CA ASP A 35 2.026 -4.873 11.330 1.00 0.00 C ATOM 447 C ASP A 35 2.327 -3.372 11.319 1.00 0.00 C ATOM 448 O ASP A 35 3.324 -2.931 11.889 1.00 0.00 O ATOM 449 CB ASP A 35 1.660 -5.271 12.761 1.00 0.00 C ATOM 450 CG ASP A 35 0.505 -4.479 13.378 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.411 -4.119 12.607 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.565 -4.252 14.606 1.00 0.00 O ATOM 0 H ASP A 35 3.429 -6.427 11.418 1.00 0.00 H new ATOM 0 HA ASP A 35 1.196 -5.112 10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.401 -6.330 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.541 -5.151 13.392 1.00 0.00 H new ATOM 456 N GLY A 36 1.448 -2.629 10.662 1.00 0.00 N ATOM 457 CA GLY A 36 1.607 -1.189 10.569 1.00 0.00 C ATOM 458 C GLY A 36 3.016 -0.822 10.098 1.00 0.00 C ATOM 459 O GLY A 36 3.596 0.156 10.567 1.00 0.00 O ATOM 0 H GLY A 36 0.623 -2.998 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.871 -0.782 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.415 -0.735 11.541 1.00 0.00 H new ATOM 463 N GLY A 37 3.524 -1.626 9.175 1.00 0.00 N ATOM 464 CA GLY A 37 4.854 -1.398 8.635 1.00 0.00 C ATOM 465 C GLY A 37 4.958 -0.009 8.003 1.00 0.00 C ATOM 466 O GLY A 37 4.115 0.374 7.194 1.00 0.00 O ATOM 0 H GLY A 37 3.039 -2.435 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.595 -1.497 9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.083 -2.159 7.889 1.00 0.00 H new ATOM 470 N HIS A 38 6.001 0.709 8.397 1.00 0.00 N ATOM 471 CA HIS A 38 6.227 2.047 7.880 1.00 0.00 C ATOM 472 C HIS A 38 7.200 1.984 6.700 1.00 0.00 C ATOM 473 O HIS A 38 8.365 1.627 6.871 1.00 0.00 O ATOM 474 CB HIS A 38 6.701 2.986 8.990 1.00 0.00 C ATOM 475 CG HIS A 38 7.479 2.297 10.087 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.101 2.345 11.417 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.615 1.544 10.035 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.978 1.649 12.125 1.00 0.00 C ATOM 479 NE2 HIS A 38 8.916 1.155 11.268 1.00 0.00 N ATOM 0 H HIS A 38 6.698 0.388 9.069 1.00 0.00 H new ATOM 0 HA HIS A 38 5.289 2.461 7.511 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.324 3.765 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.834 3.480 9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.174 1.305 9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.954 1.499 13.194 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.717 0.581 11.531 1.00 0.00 H new ATOM 486 N VAL A 39 6.687 2.335 5.531 1.00 0.00 N ATOM 487 CA VAL A 39 7.495 2.323 4.324 1.00 0.00 C ATOM 488 C VAL A 39 7.531 3.730 3.725 1.00 0.00 C ATOM 489 O VAL A 39 6.781 4.608 4.148 1.00 0.00 O ATOM 490 CB VAL A 39 6.964 1.270 3.349 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.270 -0.143 3.847 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.465 1.456 3.106 1.00 0.00 C ATOM 0 H VAL A 39 5.720 2.630 5.394 1.00 0.00 H new ATOM 0 HA VAL A 39 8.523 2.043 4.555 1.00 0.00 H new ATOM 0 HB VAL A 39 7.477 1.405 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.882 -0.872 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.348 -0.269 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.798 -0.297 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.112 0.695 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.929 1.360 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.285 2.445 2.685 1.00 0.00 H new ATOM 502 N GLU A 40 8.410 3.901 2.749 1.00 0.00 N ATOM 503 CA GLU A 40 8.554 5.187 2.086 1.00 0.00 C ATOM 504 C GLU A 40 7.893 5.149 0.706 1.00 0.00 C ATOM 505 O GLU A 40 7.777 4.087 0.099 1.00 0.00 O ATOM 506 CB GLU A 40 10.026 5.587 1.980 1.00 0.00 C ATOM 507 CG GLU A 40 10.803 4.593 1.114 1.00 0.00 C ATOM 508 CD GLU A 40 12.253 5.045 0.928 1.00 0.00 C ATOM 509 OE1 GLU A 40 13.012 4.939 1.915 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.570 5.486 -0.197 1.00 0.00 O ATOM 0 H GLU A 40 9.030 3.170 2.401 1.00 0.00 H new ATOM 0 HA GLU A 40 8.050 5.943 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.105 6.587 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.468 5.630 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.782 3.607 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.320 4.498 0.141 1.00 0.00 H new ATOM 515 N ALA A 41 7.478 6.323 0.254 1.00 0.00 N ATOM 516 CA ALA A 41 6.833 6.438 -1.044 1.00 0.00 C ATOM 517 C ALA A 41 7.813 6.006 -2.136 1.00 0.00 C ATOM 518 O ALA A 41 8.591 6.819 -2.634 1.00 0.00 O ATOM 519 CB ALA A 41 6.335 7.871 -1.241 1.00 0.00 C ATOM 0 H ALA A 41 7.575 7.202 0.762 1.00 0.00 H new ATOM 0 HA ALA A 41 5.966 5.780 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.851 7.958 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.620 8.119 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.179 8.559 -1.193 1.00 0.00 H new ATOM 525 N GLY A 42 7.743 4.728 -2.479 1.00 0.00 N ATOM 526 CA GLY A 42 8.614 4.179 -3.503 1.00 0.00 C ATOM 527 C GLY A 42 9.035 2.749 -3.155 1.00 0.00 C ATOM 528 O GLY A 42 9.405 1.975 -4.037 1.00 0.00 O ATOM 0 H GLY A 42 7.096 4.057 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.101 4.187 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.499 4.807 -3.608 1.00 0.00 H new ATOM 532 N SER A 43 8.965 2.441 -1.868 1.00 0.00 N ATOM 533 CA SER A 43 9.333 1.119 -1.394 1.00 0.00 C ATOM 534 C SER A 43 8.218 0.119 -1.708 1.00 0.00 C ATOM 535 O SER A 43 7.235 0.466 -2.362 1.00 0.00 O ATOM 536 CB SER A 43 9.624 1.134 0.109 1.00 0.00 C ATOM 537 OG SER A 43 10.989 1.434 0.386 1.00 0.00 O ATOM 0 H SER A 43 8.659 3.085 -1.139 1.00 0.00 H new ATOM 0 HA SER A 43 10.242 0.813 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.985 1.872 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.372 0.164 0.537 1.00 0.00 H new ATOM 0 HG SER A 43 11.133 1.436 1.355 1.00 0.00 H new ATOM 542 N SER A 44 8.409 -1.101 -1.230 1.00 0.00 N ATOM 543 CA SER A 44 7.431 -2.152 -1.452 1.00 0.00 C ATOM 544 C SER A 44 6.949 -2.711 -0.111 1.00 0.00 C ATOM 545 O SER A 44 7.754 -2.976 0.780 1.00 0.00 O ATOM 546 CB SER A 44 8.015 -3.274 -2.315 1.00 0.00 C ATOM 547 OG SER A 44 9.318 -3.655 -1.884 1.00 0.00 O ATOM 0 H SER A 44 9.226 -1.385 -0.690 1.00 0.00 H new ATOM 0 HA SER A 44 6.583 -1.723 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.354 -4.140 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.058 -2.947 -3.354 1.00 0.00 H new ATOM 0 HG SER A 44 9.655 -4.374 -2.458 1.00 0.00 H new ATOM 552 N TYR A 45 5.638 -2.873 -0.012 1.00 0.00 N ATOM 553 CA TYR A 45 5.039 -3.395 1.205 1.00 0.00 C ATOM 554 C TYR A 45 4.308 -4.712 0.935 1.00 0.00 C ATOM 555 O TYR A 45 3.904 -5.404 1.868 1.00 0.00 O ATOM 556 CB TYR A 45 4.022 -2.346 1.659 1.00 0.00 C ATOM 557 CG TYR A 45 2.695 -2.396 0.898 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.795 -3.411 1.149 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.399 -1.426 -0.038 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.545 -3.458 0.434 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.150 -1.473 -0.753 1.00 0.00 C ATOM 562 CZ TYR A 45 0.285 -2.487 -0.481 1.00 0.00 C ATOM 563 OH TYR A 45 -0.895 -2.532 -1.157 1.00 0.00 O ATOM 0 H TYR A 45 4.974 -2.652 -0.754 1.00 0.00 H new ATOM 0 HA TYR A 45 5.804 -3.588 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.825 -2.482 2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.460 -1.355 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.027 -4.170 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.104 -0.632 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.169 -4.247 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.906 -0.721 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.579 -2.951 -0.594 1.00 0.00 H new ATOM 572 N ALA A 46 4.163 -5.020 -0.345 1.00 0.00 N ATOM 573 CA ALA A 46 3.489 -6.241 -0.750 1.00 0.00 C ATOM 574 C ALA A 46 3.666 -6.442 -2.256 1.00 0.00 C ATOM 575 O ALA A 46 4.353 -5.663 -2.913 1.00 0.00 O ATOM 576 CB ALA A 46 2.016 -6.172 -0.340 1.00 0.00 C ATOM 0 H ALA A 46 4.501 -4.444 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 46 3.927 -7.104 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.510 -7.088 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.944 -6.060 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.543 -5.318 -0.825 1.00 0.00 H new ATOM 582 N GLU A 47 3.032 -7.492 -2.759 1.00 0.00 N ATOM 583 CA GLU A 47 3.112 -7.805 -4.176 1.00 0.00 C ATOM 584 C GLU A 47 1.804 -8.438 -4.653 1.00 0.00 C ATOM 585 O GLU A 47 0.919 -8.726 -3.849 1.00 0.00 O ATOM 586 CB GLU A 47 4.304 -8.719 -4.470 1.00 0.00 C ATOM 587 CG GLU A 47 5.575 -8.195 -3.799 1.00 0.00 C ATOM 588 CD GLU A 47 6.813 -8.916 -4.335 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.790 -9.273 -5.532 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.756 -9.096 -3.533 1.00 0.00 O ATOM 0 H GLU A 47 2.461 -8.136 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 47 3.265 -6.876 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.090 -9.727 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.458 -8.786 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.669 -7.123 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.506 -8.336 -2.720 1.00 0.00 H new ATOM 595 N MET A 48 1.722 -8.638 -5.961 1.00 0.00 N ATOM 596 CA MET A 48 0.537 -9.232 -6.554 1.00 0.00 C ATOM 597 C MET A 48 0.890 -10.002 -7.830 1.00 0.00 C ATOM 598 O MET A 48 1.969 -9.820 -8.390 1.00 0.00 O ATOM 599 CB MET A 48 -0.475 -8.133 -6.885 1.00 0.00 C ATOM 600 CG MET A 48 0.176 -7.017 -7.705 1.00 0.00 C ATOM 601 SD MET A 48 -0.599 -6.908 -9.310 1.00 0.00 S ATOM 602 CE MET A 48 -2.271 -6.519 -8.821 1.00 0.00 C ATOM 0 H MET A 48 2.458 -8.399 -6.626 1.00 0.00 H new ATOM 0 HA MET A 48 0.106 -9.931 -5.837 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.310 -8.558 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.884 -7.720 -5.963 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.081 -6.066 -7.181 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.242 -7.213 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.643 -5.690 -9.423 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.907 -7.391 -8.973 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.286 -6.238 -7.768 1.00 0.00 H new ATOM 610 N GLU A 49 -0.042 -10.844 -8.251 1.00 0.00 N ATOM 611 CA GLU A 49 0.157 -11.641 -9.449 1.00 0.00 C ATOM 612 C GLU A 49 -0.932 -11.332 -10.479 1.00 0.00 C ATOM 613 O GLU A 49 -2.103 -11.635 -10.259 1.00 0.00 O ATOM 614 CB GLU A 49 0.188 -13.134 -9.116 1.00 0.00 C ATOM 615 CG GLU A 49 0.247 -13.979 -10.390 1.00 0.00 C ATOM 616 CD GLU A 49 0.685 -15.412 -10.077 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.454 -15.838 -8.925 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.242 -16.049 -10.997 1.00 0.00 O ATOM 0 H GLU A 49 -0.937 -10.992 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 49 1.123 -11.378 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.053 -13.353 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.698 -13.400 -8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.732 -13.990 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.943 -13.528 -11.098 1.00 0.00 H new ATOM 623 N VAL A 50 -0.506 -10.734 -11.582 1.00 0.00 N ATOM 624 CA VAL A 50 -1.429 -10.381 -12.646 1.00 0.00 C ATOM 625 C VAL A 50 -0.825 -10.779 -13.993 1.00 0.00 C ATOM 626 O VAL A 50 0.367 -10.581 -14.227 1.00 0.00 O ATOM 627 CB VAL A 50 -1.779 -8.894 -12.564 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.515 -8.040 -12.451 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.627 -8.462 -13.762 1.00 0.00 C ATOM 0 H VAL A 50 0.467 -10.485 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.365 -10.928 -12.535 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.371 -8.739 -11.662 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.791 -6.987 -12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.034 -8.320 -11.552 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.114 -8.203 -13.326 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.861 -7.401 -13.678 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.072 -8.639 -14.683 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.552 -9.038 -13.779 1.00 0.00 H new ATOM 639 N MET A 51 -1.673 -11.334 -14.846 1.00 0.00 N ATOM 640 CA MET A 51 -1.238 -11.762 -16.164 1.00 0.00 C ATOM 641 C MET A 51 -0.154 -12.837 -16.061 1.00 0.00 C ATOM 642 O MET A 51 0.768 -12.875 -16.875 1.00 0.00 O ATOM 643 CB MET A 51 -0.693 -10.561 -16.938 1.00 0.00 C ATOM 644 CG MET A 51 -1.809 -9.854 -17.710 1.00 0.00 C ATOM 645 SD MET A 51 -1.480 -9.927 -19.463 1.00 0.00 S ATOM 646 CE MET A 51 -2.251 -8.404 -19.987 1.00 0.00 C ATOM 0 H MET A 51 -2.660 -11.497 -14.649 1.00 0.00 H new ATOM 0 HA MET A 51 -2.095 -12.185 -16.689 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.224 -9.861 -16.247 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.081 -10.891 -17.631 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.768 -10.324 -17.492 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.883 -8.815 -17.389 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.138 -8.291 -21.065 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.311 -8.427 -19.734 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.776 -7.563 -19.482 1.00 0.00 H new ATOM 654 N LYS A 52 -0.300 -13.685 -15.053 1.00 0.00 N ATOM 655 CA LYS A 52 0.657 -14.757 -14.834 1.00 0.00 C ATOM 656 C LYS A 52 2.011 -14.157 -14.450 1.00 0.00 C ATOM 657 O LYS A 52 3.029 -14.846 -14.479 1.00 0.00 O ATOM 658 CB LYS A 52 0.716 -15.681 -16.052 1.00 0.00 C ATOM 659 CG LYS A 52 -0.476 -16.639 -16.073 1.00 0.00 C ATOM 660 CD LYS A 52 -0.057 -18.044 -15.634 1.00 0.00 C ATOM 661 CE LYS A 52 -0.950 -18.552 -14.501 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.631 -19.962 -14.182 1.00 0.00 N ATOM 0 H LYS A 52 -1.065 -13.652 -14.380 1.00 0.00 H new ATOM 0 HA LYS A 52 0.340 -15.386 -14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.724 -15.085 -16.965 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.645 -16.251 -16.035 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.259 -16.266 -15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.898 -16.678 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.115 -18.727 -16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.982 -18.032 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.811 -17.932 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.998 -18.466 -14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.246 -20.291 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.786 -20.552 -15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.363 -20.035 -13.886 1.00 0.00 H new ATOM 672 N MET A 53 1.978 -12.880 -14.098 1.00 0.00 N ATOM 673 CA MET A 53 3.189 -12.179 -13.709 1.00 0.00 C ATOM 674 C MET A 53 3.066 -11.616 -12.292 1.00 0.00 C ATOM 675 O MET A 53 1.985 -11.200 -11.877 1.00 0.00 O ATOM 676 CB MET A 53 3.458 -11.038 -14.691 1.00 0.00 C ATOM 677 CG MET A 53 3.601 -11.566 -16.120 1.00 0.00 C ATOM 678 SD MET A 53 4.690 -10.506 -17.057 1.00 0.00 S ATOM 679 CE MET A 53 6.214 -11.426 -16.917 1.00 0.00 C ATOM 0 H MET A 53 1.131 -12.313 -14.074 1.00 0.00 H new ATOM 0 HA MET A 53 4.017 -12.887 -13.727 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.643 -10.315 -14.646 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.367 -10.511 -14.402 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.995 -12.582 -16.103 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.623 -11.611 -16.599 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.006 -10.901 -17.450 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.486 -11.522 -15.866 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.081 -12.418 -17.349 1.00 0.00 H new ATOM 687 N ILE A 54 4.188 -11.619 -11.587 1.00 0.00 N ATOM 688 CA ILE A 54 4.219 -11.114 -10.226 1.00 0.00 C ATOM 689 C ILE A 54 4.735 -9.674 -10.233 1.00 0.00 C ATOM 690 O ILE A 54 5.829 -9.405 -10.727 1.00 0.00 O ATOM 691 CB ILE A 54 5.024 -12.051 -9.324 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.705 -13.516 -9.632 1.00 0.00 C ATOM 693 CG2 ILE A 54 4.804 -11.715 -7.848 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.296 -13.882 -9.158 1.00 0.00 C ATOM 0 H ILE A 54 5.083 -11.964 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 54 3.214 -11.091 -9.806 1.00 0.00 H new ATOM 0 HB ILE A 54 6.083 -11.900 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.789 -13.693 -10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.436 -14.161 -9.144 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.388 -12.396 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.121 -10.690 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.747 -11.820 -7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.095 -14.928 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.223 -13.727 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.566 -13.251 -9.666 1.00 0.00 H new ATOM 705 N MET A 55 3.924 -8.785 -9.678 1.00 0.00 N ATOM 706 CA MET A 55 4.285 -7.379 -9.615 1.00 0.00 C ATOM 707 C MET A 55 4.348 -6.893 -8.165 1.00 0.00 C ATOM 708 O MET A 55 3.520 -7.281 -7.341 1.00 0.00 O ATOM 709 CB MET A 55 3.255 -6.552 -10.387 1.00 0.00 C ATOM 710 CG MET A 55 3.593 -5.060 -10.326 1.00 0.00 C ATOM 711 SD MET A 55 3.798 -4.413 -11.976 1.00 0.00 S ATOM 712 CE MET A 55 2.135 -3.849 -12.297 1.00 0.00 C ATOM 0 H MET A 55 3.018 -9.011 -9.268 1.00 0.00 H new ATOM 0 HA MET A 55 5.271 -7.256 -10.062 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.225 -6.880 -11.426 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.262 -6.721 -9.971 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.799 -4.520 -9.811 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.507 -4.909 -9.751 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.085 -3.413 -13.295 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.447 -4.692 -12.234 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.857 -3.097 -11.558 1.00 0.00 H new ATOM 720 N THR A 56 5.335 -6.053 -7.899 1.00 0.00 N ATOM 721 CA THR A 56 5.516 -5.511 -6.562 1.00 0.00 C ATOM 722 C THR A 56 4.550 -4.349 -6.322 1.00 0.00 C ATOM 723 O THR A 56 4.198 -3.627 -7.255 1.00 0.00 O ATOM 724 CB THR A 56 6.987 -5.120 -6.406 1.00 0.00 C ATOM 725 OG1 THR A 56 7.686 -6.077 -7.196 1.00 0.00 O ATOM 726 CG2 THR A 56 7.508 -5.356 -4.987 1.00 0.00 C ATOM 0 H THR A 56 6.019 -5.733 -8.585 1.00 0.00 H new ATOM 0 HA THR A 56 5.279 -6.253 -5.799 1.00 0.00 H new ATOM 0 HB THR A 56 7.113 -4.070 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.648 -5.896 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.556 -5.062 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.926 -4.762 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.413 -6.412 -4.736 1.00 0.00 H new ATOM 734 N LEU A 57 4.148 -4.203 -5.068 1.00 0.00 N ATOM 735 CA LEU A 57 3.230 -3.142 -4.695 1.00 0.00 C ATOM 736 C LEU A 57 3.958 -2.133 -3.805 1.00 0.00 C ATOM 737 O LEU A 57 4.395 -2.472 -2.706 1.00 0.00 O ATOM 738 CB LEU A 57 1.966 -3.726 -4.057 1.00 0.00 C ATOM 739 CG LEU A 57 0.779 -3.942 -4.997 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.146 -5.039 -4.468 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.031 -2.632 -5.247 1.00 0.00 C ATOM 0 H LEU A 57 4.442 -4.803 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 57 2.892 -2.602 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.222 -4.682 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.650 -3.063 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 57 1.163 -4.281 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.982 -5.173 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.409 -5.974 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.525 -4.754 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.808 -2.815 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.340 -2.239 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.708 -1.908 -5.700 1.00 0.00 H new ATOM 752 N ASN A 58 4.067 -0.914 -4.313 1.00 0.00 N ATOM 753 CA ASN A 58 4.734 0.146 -3.577 1.00 0.00 C ATOM 754 C ASN A 58 3.698 1.173 -3.117 1.00 0.00 C ATOM 755 O ASN A 58 2.559 1.162 -3.582 1.00 0.00 O ATOM 756 CB ASN A 58 5.756 0.868 -4.459 1.00 0.00 C ATOM 757 CG ASN A 58 5.185 1.135 -5.853 1.00 0.00 C ATOM 758 OD1 ASN A 58 5.500 0.461 -6.820 1.00 0.00 O ATOM 759 ND2 ASN A 58 4.331 2.154 -5.902 1.00 0.00 N ATOM 0 H ASN A 58 3.705 -0.637 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 58 5.245 -0.304 -2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.043 1.811 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.660 0.265 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.896 2.413 -6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.111 2.677 -5.054 1.00 0.00 H new ATOM 765 N VAL A 59 4.129 2.035 -2.207 1.00 0.00 N ATOM 766 CA VAL A 59 3.252 3.065 -1.679 1.00 0.00 C ATOM 767 C VAL A 59 3.506 4.377 -2.424 1.00 0.00 C ATOM 768 O VAL A 59 4.651 4.802 -2.570 1.00 0.00 O ATOM 769 CB VAL A 59 3.446 3.191 -0.166 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.303 1.832 0.520 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.797 3.832 0.162 1.00 0.00 C ATOM 0 H VAL A 59 5.074 2.041 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 59 2.208 2.797 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 59 2.663 3.844 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.445 1.950 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.308 1.430 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.053 1.146 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.910 3.910 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.600 3.216 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.845 4.827 -0.280 1.00 0.00 H new ATOM 781 N GLN A 60 2.418 4.982 -2.880 1.00 0.00 N ATOM 782 CA GLN A 60 2.508 6.236 -3.607 1.00 0.00 C ATOM 783 C GLN A 60 2.932 7.366 -2.667 1.00 0.00 C ATOM 784 O GLN A 60 3.637 8.287 -3.075 1.00 0.00 O ATOM 785 CB GLN A 60 1.183 6.565 -4.299 1.00 0.00 C ATOM 786 CG GLN A 60 1.072 5.842 -5.642 1.00 0.00 C ATOM 787 CD GLN A 60 1.358 4.347 -5.486 1.00 0.00 C ATOM 788 OE1 GLN A 60 2.463 3.874 -5.703 1.00 0.00 O ATOM 789 NE2 GLN A 60 0.307 3.632 -5.098 1.00 0.00 N ATOM 0 H GLN A 60 1.470 4.626 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 60 3.268 6.131 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.351 6.276 -3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.107 7.641 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.073 5.984 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.774 6.278 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.589 4.091 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.397 2.625 -4.965 1.00 0.00 H new ATOM 796 N GLU A 61 2.482 7.260 -1.425 1.00 0.00 N ATOM 797 CA GLU A 61 2.806 8.261 -0.424 1.00 0.00 C ATOM 798 C GLU A 61 3.170 7.589 0.901 1.00 0.00 C ATOM 799 O GLU A 61 2.396 6.794 1.433 1.00 0.00 O ATOM 800 CB GLU A 61 1.649 9.244 -0.238 1.00 0.00 C ATOM 801 CG GLU A 61 1.101 9.707 -1.590 1.00 0.00 C ATOM 802 CD GLU A 61 1.928 10.866 -2.150 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.041 10.582 -2.643 1.00 0.00 O ATOM 804 OE2 GLU A 61 1.429 12.009 -2.071 1.00 0.00 O ATOM 0 H GLU A 61 1.896 6.496 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 61 3.670 8.827 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.854 8.771 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.988 10.106 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.111 8.875 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.062 10.018 -1.478 1.00 0.00 H new ATOM 809 N ARG A 62 4.351 7.931 1.397 1.00 0.00 N ATOM 810 CA ARG A 62 4.828 7.370 2.650 1.00 0.00 C ATOM 811 C ARG A 62 3.664 7.183 3.625 1.00 0.00 C ATOM 812 O ARG A 62 2.685 7.926 3.578 1.00 0.00 O ATOM 813 CB ARG A 62 5.883 8.274 3.291 1.00 0.00 C ATOM 814 CG ARG A 62 5.309 9.662 3.586 1.00 0.00 C ATOM 815 CD ARG A 62 6.401 10.731 3.521 1.00 0.00 C ATOM 816 NE ARG A 62 6.044 11.759 2.518 1.00 0.00 N ATOM 817 CZ ARG A 62 5.079 12.672 2.690 1.00 0.00 C ATOM 818 NH1 ARG A 62 4.368 12.690 3.826 1.00 0.00 N ATOM 819 NH2 ARG A 62 4.824 13.567 1.726 1.00 0.00 N ATOM 0 H ARG A 62 4.991 8.590 0.954 1.00 0.00 H new ATOM 0 HA ARG A 62 5.280 6.403 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.242 7.821 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.742 8.365 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.524 9.895 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.849 9.667 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.527 11.194 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.355 10.273 3.260 1.00 0.00 H new ATOM 0 HE ARG A 62 6.565 11.773 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.562 12.008 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.633 13.385 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.365 13.553 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.089 14.262 1.857 1.00 0.00 H new ATOM 830 N GLY A 63 3.810 6.188 4.487 1.00 0.00 N ATOM 831 CA GLY A 63 2.783 5.894 5.471 1.00 0.00 C ATOM 832 C GLY A 63 3.000 4.514 6.096 1.00 0.00 C ATOM 833 O GLY A 63 4.107 3.980 6.059 1.00 0.00 O ATOM 0 H GLY A 63 4.624 5.575 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.793 6.656 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.801 5.933 5.000 1.00 0.00 H new ATOM 837 N ARG A 64 1.925 3.976 6.653 1.00 0.00 N ATOM 838 CA ARG A 64 1.985 2.669 7.284 1.00 0.00 C ATOM 839 C ARG A 64 1.013 1.704 6.600 1.00 0.00 C ATOM 840 O ARG A 64 -0.180 1.988 6.497 1.00 0.00 O ATOM 841 CB ARG A 64 1.639 2.759 8.771 1.00 0.00 C ATOM 842 CG ARG A 64 2.722 3.517 9.541 1.00 0.00 C ATOM 843 CD ARG A 64 2.134 4.227 10.762 1.00 0.00 C ATOM 844 NE ARG A 64 3.165 5.073 11.403 1.00 0.00 N ATOM 845 CZ ARG A 64 4.115 4.607 12.223 1.00 0.00 C ATOM 846 NH1 ARG A 64 4.171 3.299 12.509 1.00 0.00 N ATOM 847 NH2 ARG A 64 5.010 5.448 12.759 1.00 0.00 N ATOM 0 H ARG A 64 1.008 4.421 6.680 1.00 0.00 H new ATOM 0 HA ARG A 64 3.005 2.298 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.680 3.262 8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.529 1.756 9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.500 2.823 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.196 4.247 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.284 4.840 10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.761 3.492 11.475 1.00 0.00 H new ATOM 0 HE ARG A 64 3.151 6.074 11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.490 2.658 12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.895 2.944 13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.968 6.444 12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.734 5.092 13.384 1.00 0.00 H new ATOM 858 N VAL A 65 1.560 0.585 6.149 1.00 0.00 N ATOM 859 CA VAL A 65 0.756 -0.422 5.477 1.00 0.00 C ATOM 860 C VAL A 65 0.105 -1.330 6.523 1.00 0.00 C ATOM 861 O VAL A 65 0.753 -1.737 7.486 1.00 0.00 O ATOM 862 CB VAL A 65 1.616 -1.191 4.470 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.804 -2.292 3.785 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.234 -0.243 3.441 1.00 0.00 C ATOM 0 H VAL A 65 2.550 0.353 6.236 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.047 0.047 4.908 1.00 0.00 H new ATOM 0 HB VAL A 65 2.430 -1.667 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.438 -2.823 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.434 -2.991 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.039 -1.847 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.840 -0.814 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.441 0.274 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.862 0.488 3.951 1.00 0.00 H new ATOM 874 N LYS A 66 -1.168 -1.619 6.297 1.00 0.00 N ATOM 875 CA LYS A 66 -1.914 -2.470 7.208 1.00 0.00 C ATOM 876 C LYS A 66 -2.588 -3.591 6.414 1.00 0.00 C ATOM 877 O LYS A 66 -2.743 -3.489 5.198 1.00 0.00 O ATOM 878 CB LYS A 66 -2.887 -1.637 8.044 1.00 0.00 C ATOM 879 CG LYS A 66 -2.981 -2.174 9.474 1.00 0.00 C ATOM 880 CD LYS A 66 -4.378 -2.728 9.762 1.00 0.00 C ATOM 881 CE LYS A 66 -4.487 -3.217 11.207 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.954 -2.125 12.090 1.00 0.00 N ATOM 0 H LYS A 66 -1.701 -1.279 5.497 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.242 -2.945 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.558 -0.598 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.874 -1.651 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.238 -2.958 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.749 -1.378 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.124 -1.955 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.595 -3.549 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.179 -4.058 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.517 -3.579 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.022 -2.474 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.279 -1.335 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.889 -1.798 11.773 1.00 0.00 H new ATOM 892 N TYR A 67 -2.972 -4.635 7.135 1.00 0.00 N ATOM 893 CA TYR A 67 -3.626 -5.773 6.513 1.00 0.00 C ATOM 894 C TYR A 67 -5.145 -5.585 6.485 1.00 0.00 C ATOM 895 O TYR A 67 -5.785 -5.518 7.533 1.00 0.00 O ATOM 896 CB TYR A 67 -3.291 -6.982 7.388 1.00 0.00 C ATOM 897 CG TYR A 67 -2.148 -7.845 6.847 1.00 0.00 C ATOM 898 CD1 TYR A 67 -0.838 -7.487 7.094 1.00 0.00 C ATOM 899 CD2 TYR A 67 -2.427 -8.978 6.113 1.00 0.00 C ATOM 900 CE1 TYR A 67 0.238 -8.297 6.584 1.00 0.00 C ATOM 901 CE2 TYR A 67 -1.351 -9.790 5.603 1.00 0.00 C ATOM 902 CZ TYR A 67 -0.072 -9.409 5.864 1.00 0.00 C ATOM 903 OH TYR A 67 0.944 -10.174 5.383 1.00 0.00 O ATOM 0 H TYR A 67 -2.842 -4.716 8.144 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.288 -5.894 5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.028 -6.633 8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.182 -7.601 7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.620 -6.600 7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.452 -9.257 5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.267 -8.028 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.556 -10.680 5.027 1.00 0.00 H new ATOM 0 HH TYR A 67 0.575 -10.935 4.889 1.00 0.00 H new ATOM 912 N ILE A 68 -5.677 -5.505 5.274 1.00 0.00 N ATOM 913 CA ILE A 68 -7.108 -5.326 5.097 1.00 0.00 C ATOM 914 C ILE A 68 -7.712 -6.613 4.529 1.00 0.00 C ATOM 915 O ILE A 68 -8.468 -7.301 5.212 1.00 0.00 O ATOM 916 CB ILE A 68 -7.391 -4.086 4.245 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.836 -2.825 4.912 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.884 -3.962 3.938 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.165 -2.804 6.405 1.00 0.00 C ATOM 0 H ILE A 68 -5.143 -5.561 4.407 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.591 -5.143 6.057 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.875 -4.200 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.756 -2.782 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.255 -1.941 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.058 -3.073 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.218 -4.845 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.442 -3.880 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.759 -1.898 6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.246 -2.823 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.724 -3.677 6.887 1.00 0.00 H new ATOM 930 N LYS A 69 -7.355 -6.897 3.285 1.00 0.00 N ATOM 931 CA LYS A 69 -7.852 -8.088 2.618 1.00 0.00 C ATOM 932 C LYS A 69 -6.896 -9.253 2.884 1.00 0.00 C ATOM 933 O LYS A 69 -5.698 -9.148 2.628 1.00 0.00 O ATOM 934 CB LYS A 69 -8.086 -7.812 1.131 1.00 0.00 C ATOM 935 CG LYS A 69 -8.810 -6.479 0.929 1.00 0.00 C ATOM 936 CD LYS A 69 -10.279 -6.584 1.343 1.00 0.00 C ATOM 937 CE LYS A 69 -11.101 -7.299 0.269 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.401 -7.744 0.823 1.00 0.00 N ATOM 0 H LYS A 69 -6.728 -6.323 2.722 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.823 -8.373 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.131 -7.795 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.675 -8.619 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.318 -5.702 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.744 -6.180 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.357 -7.125 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.685 -5.587 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.268 -6.630 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.547 -8.158 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.947 -8.227 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.235 -8.399 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.934 -6.918 1.163 1.00 0.00 H new ATOM 948 N ARG A 70 -7.463 -10.336 3.394 1.00 0.00 N ATOM 949 CA ARG A 70 -6.677 -11.519 3.698 1.00 0.00 C ATOM 950 C ARG A 70 -5.843 -11.930 2.482 1.00 0.00 C ATOM 951 O ARG A 70 -6.214 -11.641 1.345 1.00 0.00 O ATOM 952 CB ARG A 70 -7.575 -12.688 4.109 1.00 0.00 C ATOM 953 CG ARG A 70 -7.869 -12.652 5.610 1.00 0.00 C ATOM 954 CD ARG A 70 -7.459 -13.964 6.281 1.00 0.00 C ATOM 955 NE ARG A 70 -8.238 -14.163 7.524 1.00 0.00 N ATOM 956 CZ ARG A 70 -7.855 -14.957 8.532 1.00 0.00 C ATOM 957 NH1 ARG A 70 -6.700 -15.632 8.451 1.00 0.00 N ATOM 958 NH2 ARG A 70 -8.626 -15.076 9.622 1.00 0.00 N ATOM 0 H ARG A 70 -8.458 -10.419 3.604 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.017 -11.272 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.510 -12.647 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.092 -13.631 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.333 -11.822 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.932 -12.473 5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.627 -14.798 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.393 -13.948 6.509 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.122 -13.664 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.113 -15.541 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.408 -16.237 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.505 -14.562 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.334 -15.681 10.390 1.00 0.00 H new ATOM 969 N PRO A 71 -4.704 -12.614 2.770 1.00 0.00 N ATOM 970 CA PRO A 71 -3.815 -13.066 1.714 1.00 0.00 C ATOM 971 C PRO A 71 -4.400 -14.279 0.987 1.00 0.00 C ATOM 972 O PRO A 71 -4.739 -15.279 1.615 1.00 0.00 O ATOM 973 CB PRO A 71 -2.498 -13.369 2.410 1.00 0.00 C ATOM 974 CG PRO A 71 -2.833 -13.522 3.885 1.00 0.00 C ATOM 975 CD PRO A 71 -4.233 -12.973 4.105 1.00 0.00 C ATOM 0 HA PRO A 71 -3.674 -12.318 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.048 -14.280 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.779 -12.564 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.783 -14.570 4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.111 -12.983 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.882 -13.717 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.219 -12.107 4.766 1.00 0.00 H new ATOM 980 N GLY A 72 -4.500 -14.148 -0.328 1.00 0.00 N ATOM 981 CA GLY A 72 -5.039 -15.221 -1.148 1.00 0.00 C ATOM 982 C GLY A 72 -6.335 -14.787 -1.836 1.00 0.00 C ATOM 983 O GLY A 72 -7.040 -15.612 -2.413 1.00 0.00 O ATOM 0 H GLY A 72 -4.217 -13.316 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.305 -15.514 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.228 -16.097 -0.528 1.00 0.00 H new ATOM 987 N ALA A 73 -6.607 -13.493 -1.752 1.00 0.00 N ATOM 988 CA ALA A 73 -7.806 -12.940 -2.359 1.00 0.00 C ATOM 989 C ALA A 73 -7.545 -12.676 -3.843 1.00 0.00 C ATOM 990 O ALA A 73 -6.396 -12.669 -4.284 1.00 0.00 O ATOM 991 CB ALA A 73 -8.223 -11.675 -1.607 1.00 0.00 C ATOM 0 H ALA A 73 -6.018 -12.812 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.632 -13.647 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.122 -11.261 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.425 -11.921 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.419 -10.940 -1.657 1.00 0.00 H new ATOM 997 N VAL A 74 -8.630 -12.465 -4.574 1.00 0.00 N ATOM 998 CA VAL A 74 -8.533 -12.202 -6.000 1.00 0.00 C ATOM 999 C VAL A 74 -8.442 -10.691 -6.229 1.00 0.00 C ATOM 1000 O VAL A 74 -9.423 -9.972 -6.047 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.709 -12.848 -6.733 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.034 -12.524 -6.038 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.742 -12.421 -8.202 1.00 0.00 C ATOM 0 H VAL A 74 -9.581 -12.471 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.628 -12.649 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.569 -13.929 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.854 -12.996 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.010 -12.901 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.183 -11.444 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.588 -12.895 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.845 -11.338 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.816 -12.726 -8.690 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.255 -10.256 -6.627 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.024 -8.844 -6.884 1.00 0.00 C ATOM 1015 C LEU A 75 -7.784 -8.429 -8.146 1.00 0.00 C ATOM 1016 O LEU A 75 -7.720 -9.113 -9.166 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.524 -8.550 -6.943 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.976 -7.635 -5.846 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.167 -6.162 -6.214 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.599 -7.973 -4.490 1.00 0.00 C ATOM 0 H LEU A 75 -6.444 -10.856 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.412 -8.238 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.986 -9.497 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.300 -8.099 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.903 -7.808 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.769 -5.533 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.639 -5.948 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.229 -5.954 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.193 -7.309 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.680 -7.845 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.368 -9.006 -4.231 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.484 -7.310 -8.035 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.255 -6.796 -9.154 1.00 0.00 C ATOM 1033 C GLU A 76 -8.981 -5.303 -9.345 1.00 0.00 C ATOM 1034 O GLU A 76 -8.639 -4.603 -8.392 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.749 -7.059 -8.958 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.102 -8.505 -9.310 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.422 -8.575 -10.082 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.368 -8.387 -11.317 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.454 -8.815 -9.421 1.00 0.00 O ATOM 0 H GLU A 76 -8.533 -6.745 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.943 -7.321 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.025 -6.855 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.327 -6.378 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.303 -8.943 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.178 -9.097 -8.398 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.142 -4.857 -10.583 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.916 -3.460 -10.910 1.00 0.00 C ATOM 1046 C ALA A 77 -9.871 -2.588 -10.091 1.00 0.00 C ATOM 1047 O ALA A 77 -11.037 -2.935 -9.914 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.087 -3.255 -12.416 1.00 0.00 C ATOM 0 H ALA A 77 -9.426 -5.439 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.898 -3.165 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.918 -2.207 -12.662 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.367 -3.874 -12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.098 -3.538 -12.709 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.339 -1.473 -9.612 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.128 -0.548 -8.816 1.00 0.00 C ATOM 1056 C GLY A 78 -10.794 -1.268 -7.641 1.00 0.00 C ATOM 1057 O GLY A 78 -12.020 -1.305 -7.546 1.00 0.00 O ATOM 0 H GLY A 78 -8.371 -1.189 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.489 0.252 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.890 -0.082 -9.441 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.956 -1.822 -6.776 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.449 -2.538 -5.612 1.00 0.00 C ATOM 1063 C CYS A 79 -9.633 -2.095 -4.395 1.00 0.00 C ATOM 1064 O CYS A 79 -8.784 -1.212 -4.501 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.394 -4.054 -5.815 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.897 -4.832 -5.119 1.00 0.00 S ATOM 0 H CYS A 79 -8.940 -1.789 -6.858 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.500 -2.297 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.314 -4.284 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.506 -4.462 -5.332 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.842 -6.118 -5.298 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.919 -2.730 -3.268 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.223 -2.412 -2.033 1.00 0.00 C ATOM 1073 C VAL A 80 -8.198 -3.508 -1.735 1.00 0.00 C ATOM 1074 O VAL A 80 -8.489 -4.693 -1.886 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.232 -2.214 -0.900 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.978 -3.514 -0.596 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.547 -1.669 0.355 1.00 0.00 C ATOM 0 H VAL A 80 -10.623 -3.463 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.677 -1.474 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.964 -1.477 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.689 -3.345 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.513 -3.843 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.264 -4.282 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.286 -1.537 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.783 -2.372 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.083 -0.709 0.129 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.018 -3.072 -1.318 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.947 -4.001 -0.997 1.00 0.00 C ATOM 1089 C VAL A 81 -5.589 -3.868 0.484 1.00 0.00 C ATOM 1090 O VAL A 81 -5.788 -4.801 1.261 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.754 -3.763 -1.925 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.592 -4.695 -1.572 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.159 -3.924 -3.392 1.00 0.00 C ATOM 0 H VAL A 81 -6.780 -2.088 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.270 -5.029 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.417 -2.736 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.756 -4.506 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.278 -4.512 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.913 -5.732 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.293 -3.749 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.534 -4.934 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.940 -3.203 -3.635 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.067 -2.700 0.831 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.678 -2.433 2.205 1.00 0.00 C ATOM 1105 C ALA A 82 -4.951 -0.964 2.532 1.00 0.00 C ATOM 1106 O ALA A 82 -5.443 -0.218 1.687 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.210 -2.812 2.404 1.00 0.00 C ATOM 0 H ALA A 82 -4.905 -1.928 0.184 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.266 -3.039 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.919 -2.611 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.075 -3.872 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.588 -2.223 1.730 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.619 -0.592 3.759 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.823 0.775 4.207 1.00 0.00 C ATOM 1115 C ARG A 83 -3.477 1.447 4.488 1.00 0.00 C ATOM 1116 O ARG A 83 -2.518 0.784 4.880 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.680 0.818 5.474 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.169 0.741 5.130 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.784 2.139 5.039 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.094 2.162 5.727 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.834 3.266 5.895 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.399 4.444 5.427 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -11.012 3.192 6.532 1.00 0.00 N ATOM 0 H ARG A 83 -4.210 -1.213 4.457 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.343 1.310 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.411 -0.011 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.477 1.737 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.300 0.220 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.692 0.159 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.114 2.870 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.908 2.423 3.994 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.456 1.283 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.503 4.501 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.964 5.284 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.344 2.296 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.576 4.032 6.660 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.450 2.756 4.277 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.238 3.524 4.502 1.00 0.00 C ATOM 1136 C LEU A 84 -2.545 4.687 5.448 1.00 0.00 C ATOM 1137 O LEU A 84 -3.309 5.587 5.102 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.623 3.960 3.171 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.259 3.357 2.832 1.00 0.00 C ATOM 1140 CD1 LEU A 84 0.160 3.716 1.404 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.795 3.773 3.860 1.00 0.00 C ATOM 0 H LEU A 84 -4.248 3.303 3.953 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.482 2.907 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.319 3.706 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.527 5.046 3.177 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.344 2.271 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.133 3.275 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.577 3.329 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.223 4.800 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.756 3.331 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.886 4.859 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.496 3.426 4.849 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.935 4.631 6.623 1.00 0.00 N ATOM 1153 CA GLU A 85 -2.133 5.669 7.620 1.00 0.00 C ATOM 1154 C GLU A 85 -1.049 6.741 7.494 1.00 0.00 C ATOM 1155 O GLU A 85 0.044 6.589 8.036 1.00 0.00 O ATOM 1156 CB GLU A 85 -2.158 5.076 9.030 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.315 5.654 9.848 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.857 6.022 11.261 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.847 5.106 12.111 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -2.528 7.211 11.460 1.00 0.00 O ATOM 0 H GLU A 85 -1.303 3.882 6.907 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.101 6.138 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.256 3.992 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.213 5.284 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.712 6.538 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.126 4.927 9.902 1.00 0.00 H new ATOM 1165 N LEU A 86 -1.390 7.801 6.776 1.00 0.00 N ATOM 1166 CA LEU A 86 -0.460 8.898 6.572 1.00 0.00 C ATOM 1167 C LEU A 86 0.223 9.235 7.899 1.00 0.00 C ATOM 1168 O LEU A 86 -0.446 9.518 8.891 1.00 0.00 O ATOM 1169 CB LEU A 86 -1.169 10.089 5.926 1.00 0.00 C ATOM 1170 CG LEU A 86 -1.455 9.967 4.427 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -2.596 10.895 4.009 1.00 0.00 C ATOM 1172 CD2 LEU A 86 -0.187 10.212 3.605 1.00 0.00 C ATOM 0 H LEU A 86 -2.298 7.923 6.328 1.00 0.00 H new ATOM 0 HA LEU A 86 0.325 8.607 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.115 10.248 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.562 10.980 6.089 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.779 8.946 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.778 10.788 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.499 10.632 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.325 11.927 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.418 10.119 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.190 11.214 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.571 9.477 3.877 1.00 0.00 H new ATOM 1183 N ASP A 87 1.546 9.194 7.874 1.00 0.00 N ATOM 1184 CA ASP A 87 2.328 9.492 9.063 1.00 0.00 C ATOM 1185 C ASP A 87 2.606 10.995 9.122 1.00 0.00 C ATOM 1186 O ASP A 87 3.131 11.494 10.115 1.00 0.00 O ATOM 1187 CB ASP A 87 3.672 8.763 9.036 1.00 0.00 C ATOM 1188 CG ASP A 87 4.649 9.248 7.961 1.00 0.00 C ATOM 1189 OD1 ASP A 87 4.236 10.126 7.173 1.00 0.00 O ATOM 1190 OD2 ASP A 87 5.786 8.728 7.953 1.00 0.00 O ATOM 0 H ASP A 87 2.098 8.959 7.049 1.00 0.00 H new ATOM 0 HA ASP A 87 1.758 9.164 9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.146 8.870 10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.488 7.699 8.886 1.00 0.00 H new ATOM 1194 N ASP A 88 2.241 11.676 8.045 1.00 0.00 N ATOM 1195 CA ASP A 88 2.445 13.112 7.961 1.00 0.00 C ATOM 1196 C ASP A 88 1.218 13.759 7.316 1.00 0.00 C ATOM 1197 O ASP A 88 1.288 14.243 6.188 1.00 0.00 O ATOM 1198 CB ASP A 88 3.664 13.445 7.099 1.00 0.00 C ATOM 1199 CG ASP A 88 3.990 14.937 6.991 1.00 0.00 C ATOM 1200 OD1 ASP A 88 3.371 15.710 7.753 1.00 0.00 O ATOM 1201 OD2 ASP A 88 4.852 15.269 6.148 1.00 0.00 O ATOM 0 H ASP A 88 1.805 11.259 7.223 1.00 0.00 H new ATOM 0 HA ASP A 88 2.604 13.491 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.532 12.927 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.500 13.050 6.096 1.00 0.00 H new ATOM 1205 N PRO A 89 0.093 13.749 8.081 1.00 0.00 N ATOM 1206 CA PRO A 89 -1.147 14.330 7.598 1.00 0.00 C ATOM 1207 C PRO A 89 -1.091 15.859 7.640 1.00 0.00 C ATOM 1208 O PRO A 89 -2.014 16.504 8.133 1.00 0.00 O ATOM 1209 CB PRO A 89 -2.229 13.750 8.493 1.00 0.00 C ATOM 1210 CG PRO A 89 -1.513 13.235 9.731 1.00 0.00 C ATOM 1211 CD PRO A 89 -0.026 13.186 9.423 1.00 0.00 C ATOM 0 HA PRO A 89 -1.343 14.091 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.967 14.508 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.764 12.946 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.705 13.888 10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.880 12.244 10.000 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.548 13.764 10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.352 12.164 9.459 1.00 0.00 H new ATOM 1216 N SER A 90 0.004 16.394 7.118 1.00 0.00 N ATOM 1217 CA SER A 90 0.193 17.834 7.090 1.00 0.00 C ATOM 1218 C SER A 90 1.218 18.207 6.017 1.00 0.00 C ATOM 1219 O SER A 90 2.319 17.659 5.989 1.00 0.00 O ATOM 1220 CB SER A 90 0.641 18.357 8.457 1.00 0.00 C ATOM 1221 OG SER A 90 0.468 19.766 8.571 1.00 0.00 O ATOM 0 H SER A 90 0.769 15.855 6.711 1.00 0.00 H new ATOM 0 HA SER A 90 -0.762 18.300 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.072 17.857 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.690 18.106 8.615 1.00 0.00 H new ATOM 0 HG SER A 90 0.763 20.061 9.458 1.00 0.00 H new ATOM 1226 N LYS A 91 0.820 19.136 5.161 1.00 0.00 N ATOM 1227 CA LYS A 91 1.690 19.588 4.090 1.00 0.00 C ATOM 1228 C LYS A 91 2.008 21.072 4.288 1.00 0.00 C ATOM 1229 O LYS A 91 1.320 21.935 3.744 1.00 0.00 O ATOM 1230 CB LYS A 91 1.072 19.268 2.726 1.00 0.00 C ATOM 1231 CG LYS A 91 0.952 17.756 2.520 1.00 0.00 C ATOM 1232 CD LYS A 91 -0.485 17.365 2.172 1.00 0.00 C ATOM 1233 CE LYS A 91 -0.513 16.322 1.052 1.00 0.00 C ATOM 1234 NZ LYS A 91 -0.216 16.955 -0.252 1.00 0.00 N ATOM 0 H LYS A 91 -0.094 19.588 5.188 1.00 0.00 H new ATOM 0 HA LYS A 91 2.639 19.052 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.087 19.728 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.685 19.699 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.623 17.439 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.266 17.236 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.982 16.967 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.042 18.250 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.217 15.539 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.492 15.844 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.322 16.252 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.876 17.742 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.759 17.316 -0.248 1.00 0.00 H new ATOM 1244 N VAL A 92 3.049 21.322 5.068 1.00 0.00 N ATOM 1245 CA VAL A 92 3.466 22.686 5.345 1.00 0.00 C ATOM 1246 C VAL A 92 4.936 22.854 4.958 1.00 0.00 C ATOM 1247 O VAL A 92 5.609 21.879 4.627 1.00 0.00 O ATOM 1248 CB VAL A 92 3.190 23.030 6.810 1.00 0.00 C ATOM 1249 CG1 VAL A 92 4.206 22.355 7.733 1.00 0.00 C ATOM 1250 CG2 VAL A 92 3.177 24.545 7.024 1.00 0.00 C ATOM 0 H VAL A 92 3.616 20.603 5.517 1.00 0.00 H new ATOM 0 HA VAL A 92 2.890 23.391 4.745 1.00 0.00 H new ATOM 0 HB VAL A 92 2.201 22.647 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.987 22.616 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.146 21.273 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.210 22.694 7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.979 24.763 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.145 24.960 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.398 24.993 6.407 1.00 0.00 H new ATOM 1260 N HIS A 93 5.391 24.097 5.011 1.00 0.00 N ATOM 1261 CA HIS A 93 6.770 24.405 4.671 1.00 0.00 C ATOM 1262 C HIS A 93 7.536 24.793 5.937 1.00 0.00 C ATOM 1263 O HIS A 93 7.433 25.925 6.407 1.00 0.00 O ATOM 1264 CB HIS A 93 6.833 25.482 3.586 1.00 0.00 C ATOM 1265 CG HIS A 93 6.194 26.791 3.981 1.00 0.00 C ATOM 1266 ND1 HIS A 93 6.828 27.723 4.783 1.00 0.00 N ATOM 1267 CD2 HIS A 93 4.971 27.315 3.676 1.00 0.00 C ATOM 1268 CE1 HIS A 93 6.016 28.756 4.948 1.00 0.00 C ATOM 1269 NE2 HIS A 93 4.865 28.501 4.261 1.00 0.00 N ATOM 0 H HIS A 93 4.829 24.903 5.284 1.00 0.00 H new ATOM 0 HA HIS A 93 7.252 23.521 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 93 7.877 25.662 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 93 6.343 25.107 2.688 1.00 0.00 H new ATOM 0 HD1 HIS A 93 7.763 27.630 5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.217 26.844 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.228 29.644 5.525 1.00 0.00 H new ATOM 1276 N PRO A 94 8.309 23.807 6.465 1.00 0.00 N ATOM 1277 CA PRO A 94 9.093 24.034 7.668 1.00 0.00 C ATOM 1278 C PRO A 94 10.328 24.885 7.364 1.00 0.00 C ATOM 1279 O PRO A 94 10.585 25.222 6.209 1.00 0.00 O ATOM 1280 CB PRO A 94 9.440 22.645 8.178 1.00 0.00 C ATOM 1281 CG PRO A 94 9.238 21.704 7.002 1.00 0.00 C ATOM 1282 CD PRO A 94 8.455 22.455 5.936 1.00 0.00 C ATOM 0 HA PRO A 94 8.549 24.598 8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.469 22.607 8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.800 22.366 9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 94 10.199 21.373 6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.697 20.811 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.985 22.458 4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.484 21.992 5.759 1.00 0.00 H new ATOM 1287 N SER A 95 11.059 25.207 8.420 1.00 0.00 N ATOM 1288 CA SER A 95 12.260 26.012 8.282 1.00 0.00 C ATOM 1289 C SER A 95 13.390 25.418 9.126 1.00 0.00 C ATOM 1290 O SER A 95 13.344 25.469 10.354 1.00 0.00 O ATOM 1291 CB SER A 95 12.001 27.464 8.690 1.00 0.00 C ATOM 1292 OG SER A 95 11.863 28.320 7.559 1.00 0.00 O ATOM 0 H SER A 95 10.843 24.925 9.376 1.00 0.00 H new ATOM 0 HA SER A 95 12.556 26.005 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.096 27.515 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.822 27.817 9.314 1.00 0.00 H new ATOM 0 HG SER A 95 11.697 29.237 7.861 1.00 0.00 H new ATOM 1297 N GLY A 96 14.376 24.867 8.433 1.00 0.00 N ATOM 1298 CA GLY A 96 15.514 24.264 9.104 1.00 0.00 C ATOM 1299 C GLY A 96 16.752 25.157 8.994 1.00 0.00 C ATOM 1300 O GLY A 96 17.206 25.461 7.892 1.00 0.00 O ATOM 0 H GLY A 96 14.410 24.826 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.274 24.096 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.725 23.289 8.665 1.00 0.00 H new ATOM 1304 N PRO A 97 17.277 25.561 10.181 1.00 0.00 N ATOM 1305 CA PRO A 97 18.453 26.413 10.229 1.00 0.00 C ATOM 1306 C PRO A 97 19.719 25.618 9.902 1.00 0.00 C ATOM 1307 O PRO A 97 19.709 24.389 9.933 1.00 0.00 O ATOM 1308 CB PRO A 97 18.462 26.993 11.634 1.00 0.00 C ATOM 1309 CG PRO A 97 17.562 26.090 12.463 1.00 0.00 C ATOM 1310 CD PRO A 97 16.765 25.220 11.506 1.00 0.00 C ATOM 0 HA PRO A 97 18.427 27.209 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 97 19.473 27.016 12.041 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.094 28.019 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 97 18.157 25.472 13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.893 26.685 13.085 1.00 0.00 H new ATOM 0 HD2 PRO A 97 16.904 24.161 11.724 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.697 25.423 11.582 1.00 0.00 H new ATOM 1315 N SER A 98 20.777 26.353 9.596 1.00 0.00 N ATOM 1316 CA SER A 98 22.049 25.733 9.264 1.00 0.00 C ATOM 1317 C SER A 98 23.083 26.042 10.348 1.00 0.00 C ATOM 1318 O SER A 98 22.830 26.855 11.236 1.00 0.00 O ATOM 1319 CB SER A 98 22.553 26.207 7.899 1.00 0.00 C ATOM 1320 OG SER A 98 23.461 25.277 7.313 1.00 0.00 O ATOM 0 H SER A 98 20.780 27.373 9.571 1.00 0.00 H new ATOM 0 HA SER A 98 21.899 24.655 9.212 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.705 26.356 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.045 27.173 8.010 1.00 0.00 H new ATOM 0 HG SER A 98 23.759 25.615 6.442 1.00 0.00 H new ATOM 1325 N SER A 99 24.224 25.379 10.240 1.00 0.00 N ATOM 1326 CA SER A 99 25.296 25.573 11.201 1.00 0.00 C ATOM 1327 C SER A 99 26.642 25.639 10.476 1.00 0.00 C ATOM 1328 O SER A 99 26.734 25.298 9.299 1.00 0.00 O ATOM 1329 CB SER A 99 25.309 24.455 12.246 1.00 0.00 C ATOM 1330 OG SER A 99 25.255 23.164 11.646 1.00 0.00 O ATOM 0 H SER A 99 24.430 24.706 9.501 1.00 0.00 H new ATOM 0 HA SER A 99 25.124 26.516 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 99 26.211 24.536 12.852 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.461 24.578 12.919 1.00 0.00 H new ATOM 0 HG SER A 99 25.267 22.478 12.345 1.00 0.00 H new ATOM 1335 N GLY A 100 27.653 26.079 11.211 1.00 0.00 N ATOM 1336 CA GLY A 100 28.989 26.194 10.653 1.00 0.00 C ATOM 1337 C GLY A 100 30.053 26.069 11.747 1.00 0.00 C ATOM 1338 O GLY A 100 30.022 26.802 12.734 1.00 0.00 O ATOM 0 H GLY A 100 27.573 26.360 12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 100 29.141 25.419 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 100 29.094 27.153 10.146 1.00 0.00 H new TER 1342 GLY A 100