USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 622 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 46 THR OG1 : rot 180:sc= 0.0308 USER MOD Set 1.2: A 51 THR OG1 : rot -87:sc= -0.209 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0291 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 3 SER OG : rot 43:sc= 0.485 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.491 USER MOD Single : A 12 GLN : amide:sc= -0.733 X(o=-0.73,f=-0.73) USER MOD Single : A 15 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.7) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.863 USER MOD Single : A 19 MET CE :methyl -121:sc= -0.0267 (180deg=-0.405) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00447 (180deg=-0.114) USER MOD Single : A 21 THR OG1 : rot 6:sc= 0.379 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.8) USER MOD Single : A 27 TYR OH : rot 80:sc= -1.5 USER MOD Single : A 29 CYS SG : rot 33:sc= 0.121 USER MOD Single : A 32 SER OG : rot 40:sc= 0.625 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -5.64! C(o=-5.6!,f=-6!) USER MOD Single : A 40 THR OG1 : rot 34:sc= 0.85 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.77 USER MOD Single : A 52 CYS SG : rot 89:sc= -4.19! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -118:sc= -3.91! USER MOD Single : A 58 SER OG : rot 2:sc= -0.562 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0.623 (180deg=0.518) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00307) USER MOD Single : A 64 HIS : no HD1:sc= -7.55! C(o=-7.6!,f=-8!) USER MOD Single : A 72 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.74) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.113 K(o=-0.11,f=0.44) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 44:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.689 3.809 -6.360 1.00 0.00 N ATOM 2 CA GLY A 1 -30.212 2.682 -7.111 1.00 0.00 C ATOM 3 C GLY A 1 -29.344 1.446 -6.983 1.00 0.00 C ATOM 4 O GLY A 1 -28.673 1.253 -5.969 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.474 4.318 -5.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.032 3.465 -5.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.186 4.452 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.219 2.453 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.294 2.957 -8.163 1.00 0.00 H new ATOM 8 N SER A 2 -29.357 0.606 -8.013 1.00 0.00 N ATOM 9 CA SER A 2 -28.569 -0.621 -8.009 1.00 0.00 C ATOM 10 C SER A 2 -27.162 -0.364 -8.542 1.00 0.00 C ATOM 11 O SER A 2 -26.172 -0.751 -7.921 1.00 0.00 O ATOM 12 CB SER A 2 -29.257 -1.697 -8.851 1.00 0.00 C ATOM 13 OG SER A 2 -29.455 -1.254 -10.182 1.00 0.00 O ATOM 0 H SER A 2 -29.905 0.753 -8.861 1.00 0.00 H new ATOM 0 HA SER A 2 -28.491 -0.971 -6.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.652 -2.604 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.217 -1.955 -8.404 1.00 0.00 H new ATOM 0 HG SER A 2 -29.895 -1.960 -10.700 1.00 0.00 H new ATOM 19 N SER A 3 -27.084 0.290 -9.696 1.00 0.00 N ATOM 20 CA SER A 3 -25.799 0.595 -10.315 1.00 0.00 C ATOM 21 C SER A 3 -25.082 1.709 -9.559 1.00 0.00 C ATOM 22 O SER A 3 -25.412 2.885 -9.705 1.00 0.00 O ATOM 23 CB SER A 3 -25.998 1.001 -11.777 1.00 0.00 C ATOM 24 OG SER A 3 -26.930 2.063 -11.889 1.00 0.00 O ATOM 0 H SER A 3 -27.894 0.619 -10.221 1.00 0.00 H new ATOM 0 HA SER A 3 -25.182 -0.302 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.043 1.304 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.348 0.143 -12.351 1.00 0.00 H new ATOM 0 HG SER A 3 -26.756 2.726 -11.189 1.00 0.00 H new ATOM 30 N GLY A 4 -24.099 1.328 -8.749 1.00 0.00 N ATOM 31 CA GLY A 4 -23.350 2.306 -7.981 1.00 0.00 C ATOM 32 C GLY A 4 -23.868 2.450 -6.564 1.00 0.00 C ATOM 33 O GLY A 4 -24.827 3.182 -6.319 1.00 0.00 O ATOM 0 H GLY A 4 -23.808 0.360 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.300 2.015 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.399 3.272 -8.483 1.00 0.00 H new ATOM 37 N SER A 5 -23.234 1.750 -5.629 1.00 0.00 N ATOM 38 CA SER A 5 -23.641 1.800 -4.230 1.00 0.00 C ATOM 39 C SER A 5 -23.443 3.200 -3.656 1.00 0.00 C ATOM 40 O SER A 5 -22.945 4.097 -4.336 1.00 0.00 O ATOM 41 CB SER A 5 -22.845 0.783 -3.409 1.00 0.00 C ATOM 42 OG SER A 5 -21.452 1.019 -3.517 1.00 0.00 O ATOM 0 H SER A 5 -22.437 1.142 -5.815 1.00 0.00 H new ATOM 0 HA SER A 5 -24.701 1.551 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.147 0.839 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.074 -0.226 -3.753 1.00 0.00 H new ATOM 0 HG SER A 5 -20.966 0.357 -2.982 1.00 0.00 H new ATOM 48 N SER A 6 -23.839 3.378 -2.400 1.00 0.00 N ATOM 49 CA SER A 6 -23.709 4.669 -1.734 1.00 0.00 C ATOM 50 C SER A 6 -22.246 5.093 -1.650 1.00 0.00 C ATOM 51 O SER A 6 -21.497 4.615 -0.800 1.00 0.00 O ATOM 52 CB SER A 6 -24.315 4.606 -0.330 1.00 0.00 C ATOM 53 OG SER A 6 -25.715 4.394 -0.388 1.00 0.00 O ATOM 0 H SER A 6 -24.252 2.645 -1.823 1.00 0.00 H new ATOM 0 HA SER A 6 -24.250 5.409 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.845 3.802 0.236 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.106 5.534 0.202 1.00 0.00 H new ATOM 0 HG SER A 6 -26.078 4.356 0.521 1.00 0.00 H new ATOM 59 N GLY A 7 -21.846 5.996 -2.541 1.00 0.00 N ATOM 60 CA GLY A 7 -20.475 6.470 -2.553 1.00 0.00 C ATOM 61 C GLY A 7 -19.735 6.075 -3.815 1.00 0.00 C ATOM 62 O GLY A 7 -19.203 4.969 -3.913 1.00 0.00 O ATOM 0 H GLY A 7 -22.448 6.407 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.469 7.556 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.948 6.070 -1.687 1.00 0.00 H new ATOM 66 N LYS A 8 -19.701 6.980 -4.787 1.00 0.00 N ATOM 67 CA LYS A 8 -19.022 6.722 -6.051 1.00 0.00 C ATOM 68 C LYS A 8 -17.542 6.433 -5.824 1.00 0.00 C ATOM 69 O LYS A 8 -16.890 7.080 -5.004 1.00 0.00 O ATOM 70 CB LYS A 8 -19.180 7.918 -6.993 1.00 0.00 C ATOM 71 CG LYS A 8 -20.545 7.995 -7.655 1.00 0.00 C ATOM 72 CD LYS A 8 -20.584 7.197 -8.947 1.00 0.00 C ATOM 73 CE LYS A 8 -20.856 5.724 -8.686 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.454 5.051 -9.872 1.00 0.00 N ATOM 0 H LYS A 8 -20.137 7.900 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.480 5.845 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.005 8.837 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.413 7.865 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.304 7.617 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.792 9.036 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.357 7.600 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.634 7.305 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.925 5.225 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.529 5.624 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.624 4.049 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.355 5.510 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.801 5.123 -10.678 1.00 0.00 H new ATOM 88 N THR A 9 -17.015 5.457 -6.557 1.00 0.00 N ATOM 89 CA THR A 9 -15.611 5.082 -6.436 1.00 0.00 C ATOM 90 C THR A 9 -14.700 6.190 -6.953 1.00 0.00 C ATOM 91 O THR A 9 -15.083 6.997 -7.800 1.00 0.00 O ATOM 92 CB THR A 9 -15.308 3.782 -7.205 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.903 4.088 -8.544 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.528 2.874 -7.234 1.00 0.00 C ATOM 0 H THR A 9 -17.539 4.912 -7.241 1.00 0.00 H new ATOM 0 HA THR A 9 -15.417 4.921 -5.376 1.00 0.00 H new ATOM 0 HB THR A 9 -14.500 3.262 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.711 3.257 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.290 1.962 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.816 2.619 -6.214 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.353 3.389 -7.726 1.00 0.00 H new ATOM 102 N PRO A 10 -13.464 6.230 -6.435 1.00 0.00 N ATOM 103 CA PRO A 10 -12.472 7.234 -6.831 1.00 0.00 C ATOM 104 C PRO A 10 -11.973 7.024 -8.257 1.00 0.00 C ATOM 105 O PRO A 10 -11.268 7.870 -8.808 1.00 0.00 O ATOM 106 CB PRO A 10 -11.333 7.022 -5.830 1.00 0.00 C ATOM 107 CG PRO A 10 -11.467 5.602 -5.399 1.00 0.00 C ATOM 108 CD PRO A 10 -12.939 5.299 -5.422 1.00 0.00 C ATOM 0 HA PRO A 10 -12.886 8.242 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.362 7.206 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.419 7.703 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.921 4.938 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.054 5.457 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.131 4.261 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.399 5.465 -4.448 1.00 0.00 H new ATOM 116 N ILE A 11 -12.342 5.893 -8.848 1.00 0.00 N ATOM 117 CA ILE A 11 -11.933 5.574 -10.210 1.00 0.00 C ATOM 118 C ILE A 11 -12.992 6.007 -11.218 1.00 0.00 C ATOM 119 O ILE A 11 -12.669 6.437 -12.325 1.00 0.00 O ATOM 120 CB ILE A 11 -11.666 4.067 -10.379 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.590 3.603 -9.394 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.250 3.760 -11.810 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.208 4.122 -9.722 1.00 0.00 C ATOM 0 H ILE A 11 -12.924 5.182 -8.405 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.010 6.122 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.586 3.524 -10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.863 3.928 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.567 2.513 -9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.065 2.691 -11.914 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.046 4.058 -12.492 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.341 4.311 -12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.496 3.754 -8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.915 3.775 -10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.216 5.212 -9.707 1.00 0.00 H new ATOM 135 N GLN A 12 -14.257 5.892 -10.825 1.00 0.00 N ATOM 136 CA GLN A 12 -15.363 6.274 -11.695 1.00 0.00 C ATOM 137 C GLN A 12 -15.566 7.786 -11.687 1.00 0.00 C ATOM 138 O GLN A 12 -15.914 8.381 -12.707 1.00 0.00 O ATOM 139 CB GLN A 12 -16.650 5.573 -11.255 1.00 0.00 C ATOM 140 CG GLN A 12 -16.756 4.136 -11.741 1.00 0.00 C ATOM 141 CD GLN A 12 -16.246 3.960 -13.157 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.897 4.368 -14.120 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.075 3.349 -13.293 1.00 0.00 N ATOM 0 H GLN A 12 -14.541 5.538 -9.911 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.117 5.965 -12.711 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.707 5.585 -10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.506 6.137 -11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.190 3.488 -11.072 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.797 3.815 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.569 3.027 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.681 3.202 -14.222 1.00 0.00 H new ATOM 152 N VAL A 13 -15.345 8.401 -10.530 1.00 0.00 N ATOM 153 CA VAL A 13 -15.503 9.844 -10.389 1.00 0.00 C ATOM 154 C VAL A 13 -14.409 10.592 -11.143 1.00 0.00 C ATOM 155 O VAL A 13 -14.674 11.259 -12.144 1.00 0.00 O ATOM 156 CB VAL A 13 -15.475 10.270 -8.909 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.608 11.780 -8.786 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.575 9.564 -8.131 1.00 0.00 C ATOM 0 H VAL A 13 -15.056 7.923 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.474 10.100 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.515 9.978 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.586 12.063 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.781 12.262 -9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.552 12.099 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.541 9.877 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.545 9.823 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.429 8.486 -8.192 1.00 0.00 H new ATOM 168 N LEU A 14 -13.178 10.477 -10.657 1.00 0.00 N ATOM 169 CA LEU A 14 -12.042 11.142 -11.285 1.00 0.00 C ATOM 170 C LEU A 14 -12.157 11.097 -12.805 1.00 0.00 C ATOM 171 O LEU A 14 -12.224 12.136 -13.464 1.00 0.00 O ATOM 172 CB LEU A 14 -10.733 10.487 -10.841 1.00 0.00 C ATOM 173 CG LEU A 14 -9.497 11.386 -10.846 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.227 10.549 -10.873 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.535 12.339 -12.032 1.00 0.00 C ATOM 0 H LEU A 14 -12.941 9.929 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.044 12.185 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.869 10.096 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.539 9.633 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.498 11.977 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.358 11.207 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.194 9.909 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.218 9.931 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.647 12.971 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.559 11.766 -12.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.426 12.963 -11.969 1.00 0.00 H new ATOM 187 N HIS A 15 -12.182 9.888 -13.356 1.00 0.00 N ATOM 188 CA HIS A 15 -12.292 9.708 -14.799 1.00 0.00 C ATOM 189 C HIS A 15 -13.524 10.424 -15.344 1.00 0.00 C ATOM 190 O HIS A 15 -13.409 11.431 -16.042 1.00 0.00 O ATOM 191 CB HIS A 15 -12.359 8.220 -15.145 1.00 0.00 C ATOM 192 CG HIS A 15 -12.418 7.949 -16.617 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.348 8.150 -17.462 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.427 7.487 -17.392 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.696 7.826 -18.695 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.953 7.421 -18.679 1.00 0.00 N ATOM 0 H HIS A 15 -12.128 9.019 -12.825 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.406 10.142 -15.262 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.486 7.718 -14.726 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.237 7.784 -14.668 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.419 7.220 -17.060 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.061 7.883 -19.567 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.486 7.110 -19.491 1.00 0.00 H new ATOM 204 N GLU A 16 -14.701 9.898 -15.020 1.00 0.00 N ATOM 205 CA GLU A 16 -15.953 10.487 -15.479 1.00 0.00 C ATOM 206 C GLU A 16 -15.871 12.011 -15.474 1.00 0.00 C ATOM 207 O GLU A 16 -16.402 12.675 -16.364 1.00 0.00 O ATOM 208 CB GLU A 16 -17.114 10.025 -14.596 1.00 0.00 C ATOM 209 CG GLU A 16 -17.475 8.561 -14.783 1.00 0.00 C ATOM 210 CD GLU A 16 -18.404 8.047 -13.700 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.332 8.558 -12.563 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.205 7.133 -13.991 1.00 0.00 O ATOM 0 H GLU A 16 -14.813 9.065 -14.442 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.129 10.153 -16.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.855 10.196 -13.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.990 10.637 -14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.949 8.429 -15.756 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.563 7.964 -14.788 1.00 0.00 H new ATOM 219 N TYR A 17 -15.203 12.558 -14.464 1.00 0.00 N ATOM 220 CA TYR A 17 -15.053 14.003 -14.340 1.00 0.00 C ATOM 221 C TYR A 17 -14.122 14.549 -15.419 1.00 0.00 C ATOM 222 O TYR A 17 -14.471 15.479 -16.144 1.00 0.00 O ATOM 223 CB TYR A 17 -14.515 14.364 -12.955 1.00 0.00 C ATOM 224 CG TYR A 17 -13.798 15.695 -12.912 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.503 16.889 -12.986 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.414 15.757 -12.796 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.852 18.107 -12.948 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.755 16.970 -12.755 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.478 18.142 -12.832 1.00 0.00 C ATOM 230 OH TYR A 17 -11.825 19.353 -12.793 1.00 0.00 O ATOM 0 H TYR A 17 -14.757 12.022 -13.719 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.035 14.457 -14.470 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.343 14.384 -12.247 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.832 13.582 -12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.579 16.865 -13.075 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.845 14.841 -12.737 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.416 19.026 -13.009 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.679 17.001 -12.663 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.860 19.202 -12.708 1.00 0.00 H new ATOM 240 N GLY A 18 -12.933 13.962 -15.517 1.00 0.00 N ATOM 241 CA GLY A 18 -11.969 14.401 -16.509 1.00 0.00 C ATOM 242 C GLY A 18 -12.623 14.805 -17.815 1.00 0.00 C ATOM 243 O GLY A 18 -12.191 15.756 -18.466 1.00 0.00 O ATOM 0 H GLY A 18 -12.620 13.191 -14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.404 15.245 -16.113 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.255 13.599 -16.697 1.00 0.00 H new ATOM 247 N MET A 19 -13.668 14.079 -18.200 1.00 0.00 N ATOM 248 CA MET A 19 -14.383 14.367 -19.438 1.00 0.00 C ATOM 249 C MET A 19 -14.849 15.819 -19.472 1.00 0.00 C ATOM 250 O MET A 19 -14.593 16.543 -20.435 1.00 0.00 O ATOM 251 CB MET A 19 -15.583 13.430 -19.589 1.00 0.00 C ATOM 252 CG MET A 19 -15.196 11.976 -19.803 1.00 0.00 C ATOM 253 SD MET A 19 -16.627 10.884 -19.909 1.00 0.00 S ATOM 254 CE MET A 19 -15.904 9.328 -19.397 1.00 0.00 C ATOM 0 H MET A 19 -14.038 13.288 -17.673 1.00 0.00 H new ATOM 0 HA MET A 19 -13.698 14.205 -20.270 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.206 13.504 -18.698 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.190 13.763 -20.431 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.611 11.891 -20.718 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.555 11.650 -18.984 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.025 8.592 -20.192 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.843 9.470 -19.192 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.404 8.974 -18.495 1.00 0.00 H new ATOM 264 N LYS A 20 -15.535 16.240 -18.414 1.00 0.00 N ATOM 265 CA LYS A 20 -16.037 17.606 -18.321 1.00 0.00 C ATOM 266 C LYS A 20 -14.936 18.613 -18.639 1.00 0.00 C ATOM 267 O LYS A 20 -15.135 19.540 -19.425 1.00 0.00 O ATOM 268 CB LYS A 20 -16.598 17.871 -16.922 1.00 0.00 C ATOM 269 CG LYS A 20 -18.075 17.543 -16.787 1.00 0.00 C ATOM 270 CD LYS A 20 -18.297 16.058 -16.553 1.00 0.00 C ATOM 271 CE LYS A 20 -18.043 15.678 -15.102 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.131 16.157 -14.205 1.00 0.00 N ATOM 0 H LYS A 20 -15.756 15.654 -17.609 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.835 17.724 -19.054 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.036 17.283 -16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.443 18.920 -16.670 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.501 18.110 -15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.602 17.853 -17.690 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.319 15.794 -16.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.636 15.484 -17.202 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.955 14.595 -15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.092 16.100 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.062 15.674 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.038 17.183 -14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.054 15.949 -14.637 1.00 0.00 H new ATOM 286 N THR A 21 -13.773 18.424 -18.023 1.00 0.00 N ATOM 287 CA THR A 21 -12.640 19.316 -18.240 1.00 0.00 C ATOM 288 C THR A 21 -11.845 18.903 -19.474 1.00 0.00 C ATOM 289 O THR A 21 -10.650 19.182 -19.577 1.00 0.00 O ATOM 290 CB THR A 21 -11.700 19.337 -17.020 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.281 18.005 -16.702 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.390 19.958 -15.816 1.00 0.00 C ATOM 0 H THR A 21 -13.591 17.662 -17.370 1.00 0.00 H new ATOM 0 HA THR A 21 -13.048 20.315 -18.391 1.00 0.00 H new ATOM 0 HB THR A 21 -10.828 19.942 -17.271 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.613 17.386 -17.385 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.707 19.962 -14.967 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.682 20.981 -16.052 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.277 19.377 -15.565 1.00 0.00 H new ATOM 300 N LYS A 22 -12.514 18.238 -20.409 1.00 0.00 N ATOM 301 CA LYS A 22 -11.871 17.788 -21.637 1.00 0.00 C ATOM 302 C LYS A 22 -10.491 17.208 -21.348 1.00 0.00 C ATOM 303 O LYS A 22 -9.612 17.212 -22.209 1.00 0.00 O ATOM 304 CB LYS A 22 -11.750 18.949 -22.628 1.00 0.00 C ATOM 305 CG LYS A 22 -13.075 19.622 -22.940 1.00 0.00 C ATOM 306 CD LYS A 22 -13.978 18.720 -23.765 1.00 0.00 C ATOM 307 CE LYS A 22 -14.969 19.528 -24.590 1.00 0.00 C ATOM 308 NZ LYS A 22 -15.780 18.660 -25.488 1.00 0.00 N ATOM 0 H LYS A 22 -13.503 17.998 -20.339 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.490 17.005 -22.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.062 19.691 -22.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.312 18.580 -23.555 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.577 19.888 -22.010 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.894 20.551 -23.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.371 18.102 -24.426 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.520 18.043 -23.104 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.631 20.080 -23.923 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.430 20.264 -25.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.443 19.248 -26.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.150 18.152 -26.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.314 17.974 -24.918 1.00 0.00 H new ATOM 322 N ASN A 23 -10.308 16.707 -20.130 1.00 0.00 N ATOM 323 CA ASN A 23 -9.034 16.122 -19.727 1.00 0.00 C ATOM 324 C ASN A 23 -9.251 14.810 -18.980 1.00 0.00 C ATOM 325 O ASN A 23 -9.795 14.796 -17.875 1.00 0.00 O ATOM 326 CB ASN A 23 -8.254 17.101 -18.847 1.00 0.00 C ATOM 327 CG ASN A 23 -8.045 18.443 -19.521 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.798 18.514 -20.725 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.143 19.516 -18.745 1.00 0.00 N ATOM 0 H ASN A 23 -11.026 16.695 -19.405 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.456 15.916 -20.628 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.789 17.248 -17.909 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.285 16.668 -18.597 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.012 20.446 -19.142 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.349 19.410 -17.752 1.00 0.00 H new ATOM 336 N ILE A 24 -8.820 13.710 -19.588 1.00 0.00 N ATOM 337 CA ILE A 24 -8.965 12.394 -18.980 1.00 0.00 C ATOM 338 C ILE A 24 -7.720 12.015 -18.185 1.00 0.00 C ATOM 339 O ILE A 24 -6.588 12.227 -18.620 1.00 0.00 O ATOM 340 CB ILE A 24 -9.233 11.310 -20.040 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.438 11.695 -20.902 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.462 9.961 -19.373 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.702 11.924 -20.104 1.00 0.00 C ATOM 0 H ILE A 24 -8.367 13.705 -20.502 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.820 12.451 -18.306 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.358 11.231 -20.686 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.201 12.601 -21.460 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.618 10.908 -21.634 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.650 9.205 -20.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.578 9.684 -18.798 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.322 10.026 -18.707 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.515 12.193 -20.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.963 11.012 -19.567 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.540 12.732 -19.390 1.00 0.00 H new ATOM 355 N PRO A 25 -7.931 11.440 -16.992 1.00 0.00 N ATOM 356 CA PRO A 25 -6.838 11.017 -16.113 1.00 0.00 C ATOM 357 C PRO A 25 -6.079 9.816 -16.667 1.00 0.00 C ATOM 358 O PRO A 25 -6.619 8.713 -16.754 1.00 0.00 O ATOM 359 CB PRO A 25 -7.553 10.642 -14.812 1.00 0.00 C ATOM 360 CG PRO A 25 -8.936 10.280 -15.231 1.00 0.00 C ATOM 361 CD PRO A 25 -9.254 11.157 -16.411 1.00 0.00 C ATOM 0 HA PRO A 25 -6.087 11.798 -15.994 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.059 9.807 -14.315 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.558 11.475 -14.109 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.999 9.226 -15.500 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.645 10.445 -14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.906 10.651 -17.123 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.763 12.071 -16.106 1.00 0.00 H new ATOM 369 N VAL A 26 -4.822 10.037 -17.041 1.00 0.00 N ATOM 370 CA VAL A 26 -3.988 8.973 -17.586 1.00 0.00 C ATOM 371 C VAL A 26 -3.458 8.069 -16.479 1.00 0.00 C ATOM 372 O VAL A 26 -3.166 8.528 -15.374 1.00 0.00 O ATOM 373 CB VAL A 26 -2.800 9.543 -18.382 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.277 10.586 -19.381 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.760 10.131 -17.439 1.00 0.00 C ATOM 0 H VAL A 26 -4.359 10.944 -16.976 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.618 8.389 -18.257 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.334 8.730 -18.938 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.423 10.977 -19.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.981 10.129 -20.076 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.769 11.400 -18.850 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.927 10.529 -18.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.211 10.932 -16.854 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.396 9.353 -16.768 1.00 0.00 H new ATOM 385 N TYR A 27 -3.334 6.781 -16.782 1.00 0.00 N ATOM 386 CA TYR A 27 -2.840 5.812 -15.812 1.00 0.00 C ATOM 387 C TYR A 27 -1.743 4.943 -16.420 1.00 0.00 C ATOM 388 O TYR A 27 -2.016 4.049 -17.219 1.00 0.00 O ATOM 389 CB TYR A 27 -3.986 4.929 -15.313 1.00 0.00 C ATOM 390 CG TYR A 27 -5.021 5.680 -14.506 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.957 6.497 -15.128 1.00 0.00 C ATOM 392 CD2 TYR A 27 -5.063 5.573 -13.121 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.904 7.185 -14.395 1.00 0.00 C ATOM 394 CE2 TYR A 27 -6.007 6.256 -12.380 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.925 7.061 -13.021 1.00 0.00 C ATOM 396 OH TYR A 27 -7.868 7.744 -12.287 1.00 0.00 O ATOM 0 H TYR A 27 -3.569 6.385 -17.692 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.419 6.362 -14.970 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.473 4.462 -16.169 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.575 4.125 -14.703 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.944 6.596 -16.203 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.345 4.945 -12.615 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.624 7.816 -14.894 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.026 6.160 -11.304 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.721 7.262 -12.321 1.00 0.00 H new ATOM 406 N GLU A 28 -0.500 5.215 -16.033 1.00 0.00 N ATOM 407 CA GLU A 28 0.639 4.459 -16.540 1.00 0.00 C ATOM 408 C GLU A 28 1.497 3.933 -15.393 1.00 0.00 C ATOM 409 O GLU A 28 1.669 4.603 -14.374 1.00 0.00 O ATOM 410 CB GLU A 28 1.488 5.333 -17.466 1.00 0.00 C ATOM 411 CG GLU A 28 2.486 4.547 -18.299 1.00 0.00 C ATOM 412 CD GLU A 28 3.531 5.433 -18.949 1.00 0.00 C ATOM 413 OE1 GLU A 28 4.019 6.365 -18.275 1.00 0.00 O ATOM 414 OE2 GLU A 28 3.860 5.196 -20.129 1.00 0.00 O ATOM 0 H GLU A 28 -0.257 5.952 -15.371 1.00 0.00 H new ATOM 0 HA GLU A 28 0.256 3.609 -17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.829 5.888 -18.133 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.026 6.067 -16.866 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.982 3.811 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.952 3.994 -19.072 1.00 0.00 H new ATOM 421 N CYS A 29 2.030 2.729 -15.566 1.00 0.00 N ATOM 422 CA CYS A 29 2.869 2.110 -14.544 1.00 0.00 C ATOM 423 C CYS A 29 4.332 2.494 -14.737 1.00 0.00 C ATOM 424 O CYS A 29 4.899 2.297 -15.812 1.00 0.00 O ATOM 425 CB CYS A 29 2.718 0.589 -14.584 1.00 0.00 C ATOM 426 SG CYS A 29 3.111 -0.150 -16.187 1.00 0.00 S ATOM 0 H CYS A 29 1.897 2.162 -16.403 1.00 0.00 H new ATOM 0 HA CYS A 29 2.542 2.474 -13.570 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.366 0.150 -13.825 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.694 0.329 -14.318 1.00 0.00 H new ATOM 0 HG CYS A 29 4.045 0.544 -16.767 1.00 0.00 H new ATOM 432 N GLU A 30 4.938 3.043 -13.689 1.00 0.00 N ATOM 433 CA GLU A 30 6.335 3.457 -13.745 1.00 0.00 C ATOM 434 C GLU A 30 7.253 2.337 -13.264 1.00 0.00 C ATOM 435 O GLU A 30 8.281 2.055 -13.880 1.00 0.00 O ATOM 436 CB GLU A 30 6.553 4.711 -12.896 1.00 0.00 C ATOM 437 CG GLU A 30 6.021 5.981 -13.538 1.00 0.00 C ATOM 438 CD GLU A 30 5.939 7.138 -12.561 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.521 7.029 -11.461 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.293 8.152 -12.897 1.00 0.00 O ATOM 0 H GLU A 30 4.484 3.211 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 30 6.579 3.683 -14.783 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.070 4.573 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.620 4.830 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.665 6.259 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.031 5.788 -13.951 1.00 0.00 H new ATOM 447 N ARG A 31 6.875 1.703 -12.159 1.00 0.00 N ATOM 448 CA ARG A 31 7.664 0.616 -11.594 1.00 0.00 C ATOM 449 C ARG A 31 6.839 -0.664 -11.500 1.00 0.00 C ATOM 450 O ARG A 31 5.699 -0.647 -11.034 1.00 0.00 O ATOM 451 CB ARG A 31 8.185 1.002 -10.208 1.00 0.00 C ATOM 452 CG ARG A 31 7.249 0.613 -9.075 1.00 0.00 C ATOM 453 CD ARG A 31 7.877 0.881 -7.717 1.00 0.00 C ATOM 454 NE ARG A 31 8.916 -0.093 -7.392 1.00 0.00 N ATOM 455 CZ ARG A 31 9.865 0.119 -6.487 1.00 0.00 C ATOM 456 NH1 ARG A 31 9.907 1.265 -5.821 1.00 0.00 N ATOM 457 NH2 ARG A 31 10.775 -0.816 -6.247 1.00 0.00 N ATOM 0 H ARG A 31 6.027 1.924 -11.637 1.00 0.00 H new ATOM 0 HA ARG A 31 8.511 0.434 -12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.153 0.527 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.350 2.079 -10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.317 1.172 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.995 -0.444 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.304 1.884 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.104 0.856 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 31 8.913 -0.985 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.209 1.987 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.637 1.425 -5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.746 -1.699 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.503 -0.652 -5.552 1.00 0.00 H new ATOM 471 N SER A 32 7.421 -1.772 -11.946 1.00 0.00 N ATOM 472 CA SER A 32 6.738 -3.060 -11.916 1.00 0.00 C ATOM 473 C SER A 32 7.653 -4.148 -11.362 1.00 0.00 C ATOM 474 O SER A 32 8.552 -4.629 -12.052 1.00 0.00 O ATOM 475 CB SER A 32 6.264 -3.442 -13.320 1.00 0.00 C ATOM 476 OG SER A 32 7.347 -3.468 -14.234 1.00 0.00 O ATOM 0 H SER A 32 8.364 -1.804 -12.333 1.00 0.00 H new ATOM 0 HA SER A 32 5.872 -2.969 -11.260 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.784 -4.420 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.513 -2.729 -13.661 1.00 0.00 H new ATOM 0 HG SER A 32 8.134 -3.856 -13.798 1.00 0.00 H new ATOM 482 N ASP A 33 7.417 -4.530 -10.112 1.00 0.00 N ATOM 483 CA ASP A 33 8.218 -5.562 -9.464 1.00 0.00 C ATOM 484 C ASP A 33 7.348 -6.744 -9.048 1.00 0.00 C ATOM 485 O ASP A 33 6.345 -6.576 -8.354 1.00 0.00 O ATOM 486 CB ASP A 33 8.937 -4.987 -8.243 1.00 0.00 C ATOM 487 CG ASP A 33 10.302 -4.422 -8.588 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.357 -3.310 -9.152 1.00 0.00 O ATOM 489 OD2 ASP A 33 11.313 -5.093 -8.294 1.00 0.00 O ATOM 0 H ASP A 33 6.678 -4.141 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 33 8.960 -5.915 -10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.324 -4.203 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.050 -5.767 -7.490 1.00 0.00 H new ATOM 494 N VAL A 34 7.739 -7.940 -9.476 1.00 0.00 N ATOM 495 CA VAL A 34 6.995 -9.151 -9.148 1.00 0.00 C ATOM 496 C VAL A 34 7.841 -10.107 -8.315 1.00 0.00 C ATOM 497 O VAL A 34 8.720 -10.790 -8.840 1.00 0.00 O ATOM 498 CB VAL A 34 6.519 -9.878 -10.419 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.344 -9.144 -11.047 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.662 -10.019 -11.412 1.00 0.00 C ATOM 0 H VAL A 34 8.567 -8.097 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 34 6.125 -8.841 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 34 6.185 -10.877 -10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.022 -9.673 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.520 -9.101 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.647 -8.131 -11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.307 -10.535 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.029 -9.030 -11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.470 -10.593 -10.958 1.00 0.00 H new ATOM 510 N GLN A 35 7.570 -10.149 -7.015 1.00 0.00 N ATOM 511 CA GLN A 35 8.307 -11.022 -6.109 1.00 0.00 C ATOM 512 C GLN A 35 7.356 -11.923 -5.327 1.00 0.00 C ATOM 513 O GLN A 35 7.740 -13.003 -4.876 1.00 0.00 O ATOM 514 CB GLN A 35 9.152 -10.191 -5.142 1.00 0.00 C ATOM 515 CG GLN A 35 10.139 -9.267 -5.837 1.00 0.00 C ATOM 516 CD GLN A 35 11.181 -8.707 -4.888 1.00 0.00 C ATOM 517 OE1 GLN A 35 12.168 -9.371 -4.570 1.00 0.00 O ATOM 518 NE2 GLN A 35 10.967 -7.479 -4.431 1.00 0.00 N ATOM 0 H GLN A 35 6.846 -9.589 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 35 8.965 -11.652 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.490 -9.595 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.699 -10.863 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.638 -9.811 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.596 -8.444 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.135 -6.965 -4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.634 -7.050 -3.790 1.00 0.00 H new ATOM 527 N ILE A 36 6.117 -11.471 -5.170 1.00 0.00 N ATOM 528 CA ILE A 36 5.112 -12.237 -4.444 1.00 0.00 C ATOM 529 C ILE A 36 3.786 -12.259 -5.197 1.00 0.00 C ATOM 530 O ILE A 36 3.641 -11.618 -6.238 1.00 0.00 O ATOM 531 CB ILE A 36 4.878 -11.665 -3.033 1.00 0.00 C ATOM 532 CG1 ILE A 36 4.565 -10.169 -3.112 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.095 -11.911 -2.153 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.799 -9.294 -3.143 1.00 0.00 C ATOM 0 H ILE A 36 5.785 -10.579 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 36 5.494 -13.254 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 36 4.023 -12.174 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.971 -9.977 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.952 -9.889 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.914 -11.501 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.277 -12.983 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.966 -11.425 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.501 -8.247 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.383 -9.457 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.403 -9.547 -4.015 1.00 0.00 H new ATOM 546 N HIS A 37 2.820 -13.000 -4.662 1.00 0.00 N ATOM 547 CA HIS A 37 1.504 -13.103 -5.283 1.00 0.00 C ATOM 548 C HIS A 37 1.010 -11.734 -5.742 1.00 0.00 C ATOM 549 O HIS A 37 0.681 -11.542 -6.912 1.00 0.00 O ATOM 550 CB HIS A 37 0.503 -13.718 -4.305 1.00 0.00 C ATOM 551 CG HIS A 37 0.367 -12.951 -3.025 1.00 0.00 C ATOM 552 ND1 HIS A 37 -0.580 -11.968 -2.834 1.00 0.00 N ATOM 553 CD2 HIS A 37 1.065 -13.029 -1.868 1.00 0.00 C ATOM 554 CE1 HIS A 37 -0.458 -11.473 -1.615 1.00 0.00 C ATOM 555 NE2 HIS A 37 0.533 -12.100 -1.008 1.00 0.00 N ATOM 0 H HIS A 37 2.924 -13.537 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 37 1.591 -13.749 -6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.473 -13.780 -4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.811 -14.738 -4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.887 -13.697 -1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.066 -10.689 -1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.852 -11.923 -0.055 1.00 0.00 H new ATOM 563 N VAL A 38 0.961 -10.786 -4.811 1.00 0.00 N ATOM 564 CA VAL A 38 0.508 -9.435 -5.120 1.00 0.00 C ATOM 565 C VAL A 38 1.689 -8.487 -5.298 1.00 0.00 C ATOM 566 O VAL A 38 2.280 -8.004 -4.332 1.00 0.00 O ATOM 567 CB VAL A 38 -0.414 -8.886 -4.015 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.350 -8.730 -2.710 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.030 -7.563 -4.444 1.00 0.00 C ATOM 0 H VAL A 38 1.229 -10.929 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.051 -9.494 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.221 -9.600 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.318 -8.341 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.737 -9.700 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.179 -8.037 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.678 -7.190 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.239 -6.839 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.615 -7.711 -5.352 1.00 0.00 H new ATOM 579 N PRO A 39 2.042 -8.212 -6.563 1.00 0.00 N ATOM 580 CA PRO A 39 3.154 -7.319 -6.898 1.00 0.00 C ATOM 581 C PRO A 39 2.849 -5.862 -6.564 1.00 0.00 C ATOM 582 O PRO A 39 1.850 -5.560 -5.910 1.00 0.00 O ATOM 583 CB PRO A 39 3.310 -7.499 -8.410 1.00 0.00 C ATOM 584 CG PRO A 39 1.966 -7.935 -8.881 1.00 0.00 C ATOM 585 CD PRO A 39 1.381 -8.753 -7.763 1.00 0.00 C ATOM 0 HA PRO A 39 4.054 -7.558 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.615 -6.569 -8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.072 -8.243 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.334 -7.076 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.045 -8.523 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.298 -8.644 -7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.588 -9.815 -7.891 1.00 0.00 H new ATOM 593 N THR A 40 3.716 -4.962 -7.016 1.00 0.00 N ATOM 594 CA THR A 40 3.539 -3.537 -6.764 1.00 0.00 C ATOM 595 C THR A 40 3.628 -2.735 -8.058 1.00 0.00 C ATOM 596 O THR A 40 4.686 -2.659 -8.682 1.00 0.00 O ATOM 597 CB THR A 40 4.592 -3.007 -5.772 1.00 0.00 C ATOM 598 OG1 THR A 40 5.903 -3.132 -6.336 1.00 0.00 O ATOM 599 CG2 THR A 40 4.526 -3.767 -4.456 1.00 0.00 C ATOM 0 H THR A 40 4.548 -5.194 -7.559 1.00 0.00 H new ATOM 0 HA THR A 40 2.547 -3.413 -6.330 1.00 0.00 H new ATOM 0 HB THR A 40 4.379 -1.956 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.857 -2.990 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.279 -3.375 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.536 -3.646 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.716 -4.825 -4.637 1.00 0.00 H new ATOM 607 N PHE A 41 2.509 -2.137 -8.455 1.00 0.00 N ATOM 608 CA PHE A 41 2.460 -1.340 -9.675 1.00 0.00 C ATOM 609 C PHE A 41 2.238 0.135 -9.353 1.00 0.00 C ATOM 610 O PHE A 41 1.197 0.515 -8.816 1.00 0.00 O ATOM 611 CB PHE A 41 1.348 -1.846 -10.596 1.00 0.00 C ATOM 612 CG PHE A 41 1.693 -3.123 -11.308 1.00 0.00 C ATOM 613 CD1 PHE A 41 2.163 -4.219 -10.604 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.548 -3.225 -12.682 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.481 -5.395 -11.256 1.00 0.00 C ATOM 616 CE2 PHE A 41 1.865 -4.399 -13.340 1.00 0.00 C ATOM 617 CZ PHE A 41 2.333 -5.485 -12.626 1.00 0.00 C ATOM 0 H PHE A 41 1.625 -2.189 -7.950 1.00 0.00 H new ATOM 0 HA PHE A 41 3.418 -1.442 -10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.443 -2.000 -10.009 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.121 -1.077 -11.335 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.282 -4.154 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.184 -2.379 -13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.845 -6.243 -10.695 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.747 -4.467 -14.411 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.583 -6.402 -13.138 1.00 0.00 H new ATOM 627 N THR A 42 3.225 0.962 -9.684 1.00 0.00 N ATOM 628 CA THR A 42 3.139 2.394 -9.429 1.00 0.00 C ATOM 629 C THR A 42 2.483 3.122 -10.597 1.00 0.00 C ATOM 630 O THR A 42 3.105 3.331 -11.639 1.00 0.00 O ATOM 631 CB THR A 42 4.531 3.004 -9.176 1.00 0.00 C ATOM 632 OG1 THR A 42 5.038 2.559 -7.912 1.00 0.00 O ATOM 633 CG2 THR A 42 4.468 4.523 -9.196 1.00 0.00 C ATOM 0 H THR A 42 4.093 0.664 -10.129 1.00 0.00 H new ATOM 0 HA THR A 42 2.527 2.520 -8.536 1.00 0.00 H new ATOM 0 HB THR A 42 5.198 2.674 -9.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.924 2.949 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.463 4.931 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.109 4.860 -10.169 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.787 4.869 -8.419 1.00 0.00 H new ATOM 641 N PHE A 43 1.224 3.507 -10.416 1.00 0.00 N ATOM 642 CA PHE A 43 0.484 4.212 -11.455 1.00 0.00 C ATOM 643 C PHE A 43 0.608 5.723 -11.282 1.00 0.00 C ATOM 644 O PHE A 43 0.608 6.232 -10.161 1.00 0.00 O ATOM 645 CB PHE A 43 -0.991 3.804 -11.427 1.00 0.00 C ATOM 646 CG PHE A 43 -1.270 2.516 -12.147 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.582 2.515 -13.497 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.219 1.306 -11.474 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.841 1.332 -14.161 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.476 0.119 -12.134 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.786 0.132 -13.480 1.00 0.00 C ATOM 0 H PHE A 43 0.695 3.342 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 43 0.912 3.938 -12.419 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.314 3.709 -10.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.588 4.598 -11.875 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.623 3.450 -14.036 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.976 1.290 -10.422 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.086 1.345 -15.213 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.434 -0.818 -11.598 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.985 -0.794 -13.999 1.00 0.00 H new ATOM 661 N ARG A 44 0.715 6.434 -12.400 1.00 0.00 N ATOM 662 CA ARG A 44 0.842 7.886 -12.372 1.00 0.00 C ATOM 663 C ARG A 44 -0.392 8.552 -12.973 1.00 0.00 C ATOM 664 O ARG A 44 -0.708 8.354 -14.146 1.00 0.00 O ATOM 665 CB ARG A 44 2.093 8.325 -13.136 1.00 0.00 C ATOM 666 CG ARG A 44 2.537 9.743 -12.815 1.00 0.00 C ATOM 667 CD ARG A 44 3.425 10.310 -13.912 1.00 0.00 C ATOM 668 NE ARG A 44 4.167 11.485 -13.462 1.00 0.00 N ATOM 669 CZ ARG A 44 5.245 11.954 -14.080 1.00 0.00 C ATOM 670 NH1 ARG A 44 5.706 11.350 -15.167 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.866 13.029 -13.610 1.00 0.00 N ATOM 0 H ARG A 44 0.716 6.028 -13.336 1.00 0.00 H new ATOM 0 HA ARG A 44 0.931 8.197 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.908 7.638 -12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.901 8.247 -14.206 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.661 10.380 -12.688 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.077 9.751 -11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.126 9.544 -14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.812 10.576 -14.773 1.00 0.00 H new ATOM 0 HE ARG A 44 3.839 11.972 -12.628 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.232 10.523 -15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.534 11.713 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.515 13.496 -12.773 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.694 13.388 -14.085 1.00 0.00 H new ATOM 685 N VAL A 45 -1.088 9.341 -12.160 1.00 0.00 N ATOM 686 CA VAL A 45 -2.288 10.036 -12.611 1.00 0.00 C ATOM 687 C VAL A 45 -1.984 11.490 -12.953 1.00 0.00 C ATOM 688 O VAL A 45 -1.515 12.254 -12.108 1.00 0.00 O ATOM 689 CB VAL A 45 -3.397 9.991 -11.543 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.171 11.069 -10.493 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.765 10.143 -12.190 1.00 0.00 C ATOM 0 H VAL A 45 -0.841 9.515 -11.186 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.636 9.521 -13.506 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.361 9.021 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.964 11.022 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.207 10.909 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.179 12.049 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.537 10.109 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.816 11.098 -12.713 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.924 9.331 -12.900 1.00 0.00 H new ATOM 701 N THR A 46 -2.256 11.869 -14.198 1.00 0.00 N ATOM 702 CA THR A 46 -2.012 13.232 -14.653 1.00 0.00 C ATOM 703 C THR A 46 -3.292 13.874 -15.175 1.00 0.00 C ATOM 704 O THR A 46 -3.791 13.512 -16.240 1.00 0.00 O ATOM 705 CB THR A 46 -0.942 13.271 -15.760 1.00 0.00 C ATOM 706 OG1 THR A 46 0.286 12.719 -15.275 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.710 14.697 -16.238 1.00 0.00 C ATOM 0 H THR A 46 -2.646 11.251 -14.909 1.00 0.00 H new ATOM 0 HA THR A 46 -1.653 13.794 -13.791 1.00 0.00 H new ATOM 0 HB THR A 46 -1.299 12.676 -16.601 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.960 12.746 -15.986 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.050 14.700 -17.020 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.640 15.104 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.373 15.311 -15.402 1.00 0.00 H new ATOM 715 N VAL A 47 -3.820 14.831 -14.418 1.00 0.00 N ATOM 716 CA VAL A 47 -5.041 15.527 -14.805 1.00 0.00 C ATOM 717 C VAL A 47 -4.800 17.025 -14.945 1.00 0.00 C ATOM 718 O VAL A 47 -4.615 17.730 -13.953 1.00 0.00 O ATOM 719 CB VAL A 47 -6.169 15.292 -13.783 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.400 16.106 -14.150 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.506 13.811 -13.692 1.00 0.00 C ATOM 0 H VAL A 47 -3.421 15.142 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.344 15.120 -15.770 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.823 15.623 -12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.186 15.927 -13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.146 17.166 -14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.751 15.809 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.305 13.664 -12.965 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.832 13.451 -14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.622 13.255 -13.378 1.00 0.00 H new ATOM 731 N GLY A 48 -4.803 17.507 -16.184 1.00 0.00 N ATOM 732 CA GLY A 48 -4.584 18.920 -16.431 1.00 0.00 C ATOM 733 C GLY A 48 -3.223 19.388 -15.955 1.00 0.00 C ATOM 734 O GLY A 48 -2.246 19.340 -16.702 1.00 0.00 O ATOM 0 H GLY A 48 -4.953 16.944 -17.021 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.680 19.118 -17.499 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.360 19.498 -15.929 1.00 0.00 H new ATOM 738 N ASP A 49 -3.159 19.843 -14.708 1.00 0.00 N ATOM 739 CA ASP A 49 -1.908 20.322 -14.133 1.00 0.00 C ATOM 740 C ASP A 49 -1.512 19.486 -12.920 1.00 0.00 C ATOM 741 O ASP A 49 -0.357 19.500 -12.494 1.00 0.00 O ATOM 742 CB ASP A 49 -2.035 21.793 -13.734 1.00 0.00 C ATOM 743 CG ASP A 49 -2.619 22.645 -14.844 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.842 23.119 -15.700 1.00 0.00 O ATOM 745 OD2 ASP A 49 -3.853 22.838 -14.857 1.00 0.00 O ATOM 0 H ASP A 49 -3.959 19.890 -14.077 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.129 20.225 -14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.665 21.873 -12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.053 22.179 -13.462 1.00 0.00 H new ATOM 750 N ILE A 50 -2.478 18.761 -12.367 1.00 0.00 N ATOM 751 CA ILE A 50 -2.230 17.919 -11.203 1.00 0.00 C ATOM 752 C ILE A 50 -1.665 16.564 -11.615 1.00 0.00 C ATOM 753 O ILE A 50 -2.186 15.909 -12.519 1.00 0.00 O ATOM 754 CB ILE A 50 -3.515 17.699 -10.384 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.121 19.042 -9.973 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.222 16.847 -9.158 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.572 18.949 -9.558 1.00 0.00 C ATOM 0 H ILE A 50 -3.440 18.740 -12.706 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.500 18.442 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.238 17.171 -11.006 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.541 19.455 -9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.034 19.741 -10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.140 16.700 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.831 15.879 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.484 17.350 -8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.935 19.938 -9.280 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.164 18.565 -10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.664 18.276 -8.706 1.00 0.00 H new ATOM 769 N THR A 51 -0.595 16.147 -10.945 1.00 0.00 N ATOM 770 CA THR A 51 0.041 14.869 -11.240 1.00 0.00 C ATOM 771 C THR A 51 0.372 14.111 -9.960 1.00 0.00 C ATOM 772 O THR A 51 1.200 14.553 -9.162 1.00 0.00 O ATOM 773 CB THR A 51 1.332 15.060 -12.059 1.00 0.00 C ATOM 774 OG1 THR A 51 1.010 15.314 -13.431 1.00 0.00 O ATOM 775 CG2 THR A 51 2.222 13.831 -11.960 1.00 0.00 C ATOM 0 H THR A 51 -0.151 16.676 -10.194 1.00 0.00 H new ATOM 0 HA THR A 51 -0.671 14.290 -11.828 1.00 0.00 H new ATOM 0 HB THR A 51 1.872 15.914 -11.650 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.907 14.463 -13.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.127 13.989 -12.546 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.490 13.659 -10.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.687 12.963 -12.345 1.00 0.00 H new ATOM 783 N CYS A 52 -0.278 12.968 -9.770 1.00 0.00 N ATOM 784 CA CYS A 52 -0.052 12.148 -8.586 1.00 0.00 C ATOM 785 C CYS A 52 0.330 10.723 -8.975 1.00 0.00 C ATOM 786 O CYS A 52 0.332 10.369 -10.155 1.00 0.00 O ATOM 787 CB CYS A 52 -1.303 12.131 -7.706 1.00 0.00 C ATOM 788 SG CYS A 52 -1.732 13.740 -7.001 1.00 0.00 S ATOM 0 H CYS A 52 -0.966 12.589 -10.421 1.00 0.00 H new ATOM 0 HA CYS A 52 0.773 12.585 -8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.145 11.769 -8.297 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.154 11.419 -6.894 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.509 14.381 -7.823 1.00 0.00 H new ATOM 794 N THR A 53 0.655 9.909 -7.976 1.00 0.00 N ATOM 795 CA THR A 53 1.042 8.524 -8.213 1.00 0.00 C ATOM 796 C THR A 53 0.599 7.625 -7.065 1.00 0.00 C ATOM 797 O THR A 53 0.581 8.042 -5.908 1.00 0.00 O ATOM 798 CB THR A 53 2.565 8.390 -8.397 1.00 0.00 C ATOM 799 OG1 THR A 53 3.208 8.312 -7.119 1.00 0.00 O ATOM 800 CG2 THR A 53 3.122 9.570 -9.179 1.00 0.00 C ATOM 0 H THR A 53 0.658 10.185 -6.994 1.00 0.00 H new ATOM 0 HA THR A 53 0.544 8.209 -9.130 1.00 0.00 H new ATOM 0 HB THR A 53 2.762 7.477 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.176 8.225 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.199 9.453 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.652 9.609 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.914 10.494 -8.640 1.00 0.00 H new ATOM 808 N GLY A 54 0.240 6.387 -7.394 1.00 0.00 N ATOM 809 CA GLY A 54 -0.198 5.447 -6.378 1.00 0.00 C ATOM 810 C GLY A 54 0.666 4.203 -6.329 1.00 0.00 C ATOM 811 O GLY A 54 0.446 3.257 -7.085 1.00 0.00 O ATOM 0 H GLY A 54 0.245 6.019 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.182 5.936 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.231 5.161 -6.574 1.00 0.00 H new ATOM 815 N GLU A 55 1.651 4.202 -5.436 1.00 0.00 N ATOM 816 CA GLU A 55 2.552 3.064 -5.294 1.00 0.00 C ATOM 817 C GLU A 55 2.250 2.289 -4.015 1.00 0.00 C ATOM 818 O GLU A 55 1.854 2.867 -3.003 1.00 0.00 O ATOM 819 CB GLU A 55 4.007 3.536 -5.286 1.00 0.00 C ATOM 820 CG GLU A 55 4.996 2.450 -4.896 1.00 0.00 C ATOM 821 CD GLU A 55 6.423 2.960 -4.823 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.621 4.105 -4.368 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.341 2.213 -5.223 1.00 0.00 O ATOM 0 H GLU A 55 1.845 4.976 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 55 2.397 2.401 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.264 3.911 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.106 4.372 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.712 2.036 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.941 1.637 -5.620 1.00 0.00 H new ATOM 830 N GLY A 56 2.440 0.974 -4.068 1.00 0.00 N ATOM 831 CA GLY A 56 2.183 0.139 -2.909 1.00 0.00 C ATOM 832 C GLY A 56 1.620 -1.217 -3.285 1.00 0.00 C ATOM 833 O GLY A 56 2.082 -2.248 -2.793 1.00 0.00 O ATOM 0 H GLY A 56 2.767 0.472 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.109 0.002 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.484 0.648 -2.246 1.00 0.00 H new ATOM 837 N THR A 57 0.617 -1.220 -4.158 1.00 0.00 N ATOM 838 CA THR A 57 -0.011 -2.459 -4.597 1.00 0.00 C ATOM 839 C THR A 57 -0.207 -2.471 -6.108 1.00 0.00 C ATOM 840 O THR A 57 0.196 -1.539 -6.803 1.00 0.00 O ATOM 841 CB THR A 57 -1.375 -2.671 -3.912 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.384 -2.031 -2.631 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.673 -4.153 -3.746 1.00 0.00 C ATOM 0 H THR A 57 0.222 -0.377 -4.575 1.00 0.00 H new ATOM 0 HA THR A 57 0.660 -3.270 -4.314 1.00 0.00 H new ATOM 0 HB THR A 57 -2.146 -2.230 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.516 -2.703 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.641 -4.277 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.694 -4.632 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.898 -4.614 -3.134 1.00 0.00 H new ATOM 851 N SER A 58 -0.829 -3.533 -6.611 1.00 0.00 N ATOM 852 CA SER A 58 -1.076 -3.667 -8.042 1.00 0.00 C ATOM 853 C SER A 58 -2.369 -2.961 -8.439 1.00 0.00 C ATOM 854 O SER A 58 -3.034 -2.344 -7.607 1.00 0.00 O ATOM 855 CB SER A 58 -1.148 -5.145 -8.432 1.00 0.00 C ATOM 856 OG SER A 58 -0.096 -5.882 -7.833 1.00 0.00 O ATOM 0 H SER A 58 -1.171 -4.313 -6.049 1.00 0.00 H new ATOM 0 HA SER A 58 -0.248 -3.198 -8.574 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.108 -5.559 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.092 -5.241 -9.516 1.00 0.00 H new ATOM 0 HG SER A 58 0.440 -5.287 -7.268 1.00 0.00 H new ATOM 862 N LYS A 59 -2.719 -3.056 -9.717 1.00 0.00 N ATOM 863 CA LYS A 59 -3.932 -2.429 -10.227 1.00 0.00 C ATOM 864 C LYS A 59 -5.046 -2.471 -9.186 1.00 0.00 C ATOM 865 O LYS A 59 -5.900 -1.586 -9.139 1.00 0.00 O ATOM 866 CB LYS A 59 -4.392 -3.127 -11.509 1.00 0.00 C ATOM 867 CG LYS A 59 -3.428 -2.962 -12.671 1.00 0.00 C ATOM 868 CD LYS A 59 -2.398 -4.078 -12.705 1.00 0.00 C ATOM 869 CE LYS A 59 -1.943 -4.375 -14.126 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.085 -3.287 -14.672 1.00 0.00 N ATOM 0 H LYS A 59 -2.179 -3.562 -10.419 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.705 -1.386 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.525 -4.190 -11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.366 -2.733 -11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.985 -2.951 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.921 -2.000 -12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.537 -3.799 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.822 -4.979 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.392 -5.315 -14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.815 -4.506 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.659 -3.598 -15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.664 -2.439 -14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.332 -3.063 -13.990 1.00 0.00 H new ATOM 884 N LYS A 60 -5.030 -3.504 -8.350 1.00 0.00 N ATOM 885 CA LYS A 60 -6.036 -3.661 -7.307 1.00 0.00 C ATOM 886 C LYS A 60 -6.192 -2.373 -6.504 1.00 0.00 C ATOM 887 O LYS A 60 -7.198 -1.673 -6.624 1.00 0.00 O ATOM 888 CB LYS A 60 -5.658 -4.813 -6.374 1.00 0.00 C ATOM 889 CG LYS A 60 -6.856 -5.525 -5.769 1.00 0.00 C ATOM 890 CD LYS A 60 -7.543 -6.422 -6.785 1.00 0.00 C ATOM 891 CE LYS A 60 -8.832 -7.007 -6.231 1.00 0.00 C ATOM 892 NZ LYS A 60 -9.760 -7.432 -7.315 1.00 0.00 N ATOM 0 H LYS A 60 -4.330 -4.246 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.988 -3.888 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.058 -5.535 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.031 -4.427 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.533 -6.121 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.566 -4.789 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.760 -5.851 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.870 -7.230 -7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.599 -7.862 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.325 -6.267 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.627 -7.825 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.003 -6.611 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.300 -8.157 -7.902 1.00 0.00 H new ATOM 906 N LEU A 61 -5.191 -2.066 -5.687 1.00 0.00 N ATOM 907 CA LEU A 61 -5.216 -0.861 -4.865 1.00 0.00 C ATOM 908 C LEU A 61 -4.496 0.289 -5.562 1.00 0.00 C ATOM 909 O LEU A 61 -5.050 1.377 -5.720 1.00 0.00 O ATOM 910 CB LEU A 61 -4.570 -1.133 -3.505 1.00 0.00 C ATOM 911 CG LEU A 61 -3.862 0.052 -2.849 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.801 1.245 -2.748 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.338 -0.334 -1.474 1.00 0.00 C ATOM 0 H LEU A 61 -4.352 -2.635 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.257 -0.576 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.342 -1.492 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.848 -1.941 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.014 0.334 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.280 2.079 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.127 1.537 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.669 0.975 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.837 0.522 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.170 -0.643 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.631 -1.158 -1.572 1.00 0.00 H new ATOM 925 N ALA A 62 -3.259 0.039 -5.979 1.00 0.00 N ATOM 926 CA ALA A 62 -2.464 1.052 -6.663 1.00 0.00 C ATOM 927 C ALA A 62 -3.350 1.981 -7.485 1.00 0.00 C ATOM 928 O ALA A 62 -3.236 3.204 -7.397 1.00 0.00 O ATOM 929 CB ALA A 62 -1.420 0.392 -7.551 1.00 0.00 C ATOM 0 H ALA A 62 -2.786 -0.856 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.956 1.652 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.834 1.160 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.761 -0.225 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.916 -0.232 -8.294 1.00 0.00 H new ATOM 935 N LYS A 63 -4.233 1.394 -8.286 1.00 0.00 N ATOM 936 CA LYS A 63 -5.140 2.169 -9.125 1.00 0.00 C ATOM 937 C LYS A 63 -6.054 3.045 -8.274 1.00 0.00 C ATOM 938 O LYS A 63 -6.088 4.265 -8.436 1.00 0.00 O ATOM 939 CB LYS A 63 -5.980 1.237 -10.001 1.00 0.00 C ATOM 940 CG LYS A 63 -6.383 1.850 -11.330 1.00 0.00 C ATOM 941 CD LYS A 63 -5.349 1.574 -12.409 1.00 0.00 C ATOM 942 CE LYS A 63 -5.793 2.117 -13.759 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.843 1.264 -14.381 1.00 0.00 N ATOM 0 H LYS A 63 -4.340 0.383 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.539 2.815 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.417 0.323 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.879 0.951 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.348 1.449 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.508 2.926 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.399 2.028 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.179 0.500 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.175 3.131 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.933 2.179 -14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.095 1.648 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.482 0.295 -14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.686 1.252 -13.773 1.00 0.00 H new ATOM 957 N HIS A 64 -6.793 2.414 -7.366 1.00 0.00 N ATOM 958 CA HIS A 64 -7.706 3.137 -6.488 1.00 0.00 C ATOM 959 C HIS A 64 -7.032 4.376 -5.904 1.00 0.00 C ATOM 960 O HIS A 64 -7.595 5.470 -5.931 1.00 0.00 O ATOM 961 CB HIS A 64 -8.190 2.226 -5.360 1.00 0.00 C ATOM 962 CG HIS A 64 -9.567 2.556 -4.872 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.713 2.104 -5.491 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.979 3.298 -3.818 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.771 2.555 -4.840 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.352 3.282 -3.819 1.00 0.00 N ATOM 0 H HIS A 64 -6.777 1.405 -7.219 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.563 3.457 -7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.174 1.193 -5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.492 2.293 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.345 3.808 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.802 2.362 -5.098 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.951 3.754 -3.142 1.00 0.00 H new ATOM 974 N ARG A 65 -5.826 4.194 -5.378 1.00 0.00 N ATOM 975 CA ARG A 65 -5.077 5.296 -4.786 1.00 0.00 C ATOM 976 C ARG A 65 -4.721 6.340 -5.841 1.00 0.00 C ATOM 977 O ARG A 65 -4.906 7.538 -5.629 1.00 0.00 O ATOM 978 CB ARG A 65 -3.803 4.775 -4.119 1.00 0.00 C ATOM 979 CG ARG A 65 -3.989 4.402 -2.657 1.00 0.00 C ATOM 980 CD ARG A 65 -2.716 3.821 -2.063 1.00 0.00 C ATOM 981 NE ARG A 65 -2.640 4.030 -0.620 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.575 3.722 0.113 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.503 3.194 -0.461 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.582 3.942 1.421 1.00 0.00 N ATOM 0 H ARG A 65 -5.346 3.294 -5.349 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.707 5.767 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.448 3.901 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.026 5.536 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.286 5.285 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.798 3.677 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.671 2.753 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.851 4.279 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.449 4.435 -0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.495 3.024 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.314 2.958 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.405 4.348 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.764 3.705 1.982 1.00 0.00 H new ATOM 998 N ALA A 66 -4.209 5.876 -6.976 1.00 0.00 N ATOM 999 CA ALA A 66 -3.829 6.769 -8.063 1.00 0.00 C ATOM 1000 C ALA A 66 -4.938 7.770 -8.365 1.00 0.00 C ATOM 1001 O ALA A 66 -4.708 8.979 -8.383 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.487 5.966 -9.310 1.00 0.00 C ATOM 0 H ALA A 66 -4.048 4.887 -7.166 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.947 7.328 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.205 6.645 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.656 5.295 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.355 5.382 -9.616 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.142 7.259 -8.602 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.287 8.110 -8.902 1.00 0.00 C ATOM 1010 C ALA A 67 -7.682 8.946 -7.689 1.00 0.00 C ATOM 1011 O ALA A 67 -7.956 10.140 -7.811 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.464 7.265 -9.368 1.00 0.00 C ATOM 0 H ALA A 67 -6.350 6.260 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.002 8.792 -9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.312 7.913 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.184 6.715 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.740 6.561 -8.583 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.709 8.312 -6.522 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.072 8.999 -5.288 1.00 0.00 C ATOM 1020 C GLU A 68 -7.305 10.311 -5.150 1.00 0.00 C ATOM 1021 O GLU A 68 -7.900 11.375 -4.978 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.793 8.104 -4.078 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.973 7.233 -3.681 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.640 6.281 -2.549 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.514 5.742 -2.538 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.507 6.075 -1.674 1.00 0.00 O ATOM 0 H GLU A 68 -7.484 7.324 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.138 9.223 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.938 7.465 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.513 8.730 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.806 7.870 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.305 6.660 -4.547 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.981 10.227 -5.227 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.132 11.407 -5.113 1.00 0.00 C ATOM 1035 C ALA A 69 -5.674 12.556 -5.956 1.00 0.00 C ATOM 1036 O ALA A 69 -6.075 13.592 -5.426 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.706 11.073 -5.525 1.00 0.00 C ATOM 0 H ALA A 69 -5.473 9.354 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.131 11.725 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.083 11.963 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.314 10.289 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.697 10.727 -6.559 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.682 12.367 -7.271 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.175 13.388 -8.187 1.00 0.00 C ATOM 1045 C ALA A 70 -7.466 14.013 -7.668 1.00 0.00 C ATOM 1046 O ALA A 70 -7.576 15.235 -7.564 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.393 12.794 -9.571 1.00 0.00 C ATOM 0 H ALA A 70 -5.352 11.516 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.423 14.174 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.761 13.567 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.450 12.401 -9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.124 11.988 -9.510 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.439 13.168 -7.346 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.722 13.638 -6.838 1.00 0.00 C ATOM 1055 C ILE A 71 -9.532 14.581 -5.655 1.00 0.00 C ATOM 1056 O ILE A 71 -9.744 15.787 -5.769 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.621 12.465 -6.407 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.868 11.522 -7.586 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.939 12.984 -5.852 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.785 10.366 -7.254 1.00 0.00 C ATOM 0 H ILE A 71 -8.364 12.154 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.207 14.175 -7.653 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.112 11.907 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.297 12.090 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.912 11.129 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.564 12.143 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.745 13.619 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.454 13.563 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.915 9.740 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.348 9.774 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.754 10.750 -6.936 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.130 14.021 -4.518 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.910 14.812 -3.313 1.00 0.00 C ATOM 1074 C ASN A 72 -8.388 16.203 -3.662 1.00 0.00 C ATOM 1075 O ASN A 72 -8.779 17.195 -3.048 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.921 14.102 -2.386 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.612 13.176 -1.404 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.652 13.515 -0.839 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.034 11.999 -1.195 1.00 0.00 N ATOM 0 H ASN A 72 -8.950 13.023 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.866 14.920 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.213 13.529 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.345 14.846 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.452 11.334 -0.544 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.172 11.760 -1.685 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.505 16.266 -4.652 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.931 17.534 -5.084 1.00 0.00 C ATOM 1088 C ILE A 73 -7.929 18.334 -5.915 1.00 0.00 C ATOM 1089 O ILE A 73 -8.096 19.538 -5.715 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.649 17.320 -5.910 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.589 16.605 -5.069 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.118 18.652 -6.419 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.615 15.790 -5.891 1.00 0.00 C ATOM 0 H ILE A 73 -7.171 15.453 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.683 18.092 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.888 16.694 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.035 17.345 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.086 15.950 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.212 18.484 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.871 19.127 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.891 19.300 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.892 15.311 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.159 15.027 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.091 16.444 -6.588 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.592 17.657 -6.846 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.577 18.304 -7.707 1.00 0.00 C ATOM 1107 C LEU A 74 -10.610 19.061 -6.879 1.00 0.00 C ATOM 1108 O LEU A 74 -11.135 20.088 -7.309 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.273 17.265 -8.588 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.646 17.021 -9.961 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.129 17.088 -9.874 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.091 15.677 -10.518 1.00 0.00 C ATOM 0 H LEU A 74 -8.466 16.661 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.055 19.019 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.297 16.318 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.308 17.576 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.985 17.804 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.700 16.912 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.828 18.073 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.770 16.327 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.635 15.519 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.780 14.882 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.176 15.666 -10.617 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.897 18.548 -5.687 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.865 19.176 -4.796 1.00 0.00 C ATOM 1126 C LYS A 75 -11.261 20.397 -4.110 1.00 0.00 C ATOM 1127 O LYS A 75 -11.712 21.523 -4.316 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.347 18.173 -3.745 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.703 16.813 -4.319 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.496 15.706 -3.300 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.664 15.616 -2.330 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.602 14.382 -1.499 1.00 0.00 N ATOM 0 H LYS A 75 -10.472 17.698 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.715 19.502 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.569 18.048 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.220 18.583 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.742 16.817 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.091 16.617 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.376 14.753 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.575 15.887 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.665 16.491 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.601 15.632 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.415 14.358 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.627 13.546 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.720 14.379 -0.948 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.236 20.166 -3.296 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.568 21.247 -2.583 1.00 0.00 C ATOM 1148 C ALA A 76 -8.980 22.265 -3.555 1.00 0.00 C ATOM 1149 O ALA A 76 -9.328 23.445 -3.519 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.479 20.690 -1.678 1.00 0.00 C ATOM 0 H ALA A 76 -9.850 19.239 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.311 21.756 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.989 21.509 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.922 20.007 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.745 20.154 -2.280 1.00 0.00 H new ATOM 1156 N ASN A 77 -8.087 21.801 -4.423 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.451 22.671 -5.404 1.00 0.00 C ATOM 1158 C ASN A 77 -8.490 23.307 -6.323 1.00 0.00 C ATOM 1159 O ASN A 77 -8.244 24.351 -6.927 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.435 21.883 -6.234 1.00 0.00 C ATOM 1161 CG ASN A 77 -5.358 22.771 -6.826 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -5.650 23.814 -7.412 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -4.104 22.361 -6.675 1.00 0.00 N ATOM 0 H ASN A 77 -7.788 20.827 -4.467 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.933 23.465 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.970 21.122 -5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.954 21.361 -7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.337 22.917 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.908 21.490 -6.182 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.652 22.671 -6.422 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.730 23.175 -7.264 1.00 0.00 C ATOM 1172 C ALA A 78 -10.240 23.437 -8.685 1.00 0.00 C ATOM 1173 O ALA A 78 -10.547 24.472 -9.276 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.318 24.443 -6.665 1.00 0.00 C ATOM 0 H ALA A 78 -9.871 21.805 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.508 22.413 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.122 24.808 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.713 24.227 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.541 25.204 -6.589 1.00 0.00 H new ATOM 1180 N SER A 79 -9.477 22.493 -9.226 1.00 0.00 N ATOM 1181 CA SER A 79 -8.941 22.624 -10.576 1.00 0.00 C ATOM 1182 C SER A 79 -9.932 23.340 -11.487 1.00 0.00 C ATOM 1183 O SER A 79 -11.136 23.091 -11.431 1.00 0.00 O ATOM 1184 CB SER A 79 -8.606 21.246 -11.150 1.00 0.00 C ATOM 1185 OG SER A 79 -8.304 21.329 -12.532 1.00 0.00 O ATOM 0 H SER A 79 -9.216 21.629 -8.750 1.00 0.00 H new ATOM 0 HA SER A 79 -8.029 23.219 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.757 20.822 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.448 20.571 -10.998 1.00 0.00 H new ATOM 0 HG SER A 79 -8.092 20.436 -12.875 1.00 0.00 H new ATOM 1191 N GLY A 80 -9.417 24.233 -12.326 1.00 0.00 N ATOM 1192 CA GLY A 80 -10.269 24.974 -13.238 1.00 0.00 C ATOM 1193 C GLY A 80 -11.416 25.665 -12.527 1.00 0.00 C ATOM 1194 O GLY A 80 -11.523 25.635 -11.301 1.00 0.00 O ATOM 0 H GLY A 80 -8.424 24.457 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.672 25.718 -13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.669 24.294 -13.991 1.00 0.00 H new ATOM 1198 N PRO A 81 -12.299 26.307 -13.306 1.00 0.00 N ATOM 1199 CA PRO A 81 -13.459 27.021 -12.765 1.00 0.00 C ATOM 1200 C PRO A 81 -14.507 26.075 -12.189 1.00 0.00 C ATOM 1201 O PRO A 81 -14.750 24.998 -12.733 1.00 0.00 O ATOM 1202 CB PRO A 81 -14.019 27.762 -13.982 1.00 0.00 C ATOM 1203 CG PRO A 81 -13.572 26.957 -15.153 1.00 0.00 C ATOM 1204 CD PRO A 81 -12.235 26.383 -14.775 1.00 0.00 C ATOM 0 HA PRO A 81 -13.184 27.676 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.106 27.829 -13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.639 28.782 -14.034 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.287 26.166 -15.378 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.492 27.578 -16.045 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.079 25.401 -15.222 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.416 27.019 -15.109 1.00 0.00 H new ATOM 1212 N SER A 82 -15.124 26.484 -11.085 1.00 0.00 N ATOM 1213 CA SER A 82 -16.144 25.671 -10.433 1.00 0.00 C ATOM 1214 C SER A 82 -17.530 26.279 -10.626 1.00 0.00 C ATOM 1215 O SER A 82 -17.962 27.125 -9.844 1.00 0.00 O ATOM 1216 CB SER A 82 -15.838 25.532 -8.941 1.00 0.00 C ATOM 1217 OG SER A 82 -16.537 24.435 -8.377 1.00 0.00 O ATOM 0 H SER A 82 -14.935 27.374 -10.623 1.00 0.00 H new ATOM 0 HA SER A 82 -16.134 24.683 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.766 25.397 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.116 26.450 -8.423 1.00 0.00 H new ATOM 0 HG SER A 82 -16.323 24.367 -7.423 1.00 0.00 H new ATOM 1223 N SER A 83 -18.221 25.841 -11.674 1.00 0.00 N ATOM 1224 CA SER A 83 -19.556 26.345 -11.973 1.00 0.00 C ATOM 1225 C SER A 83 -20.474 26.202 -10.763 1.00 0.00 C ATOM 1226 O SER A 83 -20.968 25.115 -10.469 1.00 0.00 O ATOM 1227 CB SER A 83 -20.150 25.597 -13.168 1.00 0.00 C ATOM 1228 OG SER A 83 -20.410 24.243 -12.845 1.00 0.00 O ATOM 0 H SER A 83 -17.878 25.139 -12.330 1.00 0.00 H new ATOM 0 HA SER A 83 -19.471 27.403 -12.220 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.074 26.083 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 83 -19.461 25.647 -14.011 1.00 0.00 H new ATOM 0 HG SER A 83 -20.830 24.192 -11.961 1.00 0.00 H new ATOM 1234 N GLY A 84 -20.698 27.311 -10.063 1.00 0.00 N ATOM 1235 CA GLY A 84 -21.556 27.289 -8.893 1.00 0.00 C ATOM 1236 C GLY A 84 -23.027 27.352 -9.251 1.00 0.00 C ATOM 1237 O GLY A 84 -23.886 27.389 -8.370 1.00 0.00 O ATOM 0 H GLY A 84 -20.300 28.224 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.363 26.381 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.306 28.131 -8.247 1.00 0.00 H new TER 1241 GLY A 84