USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 45 GLN : amide:sc= -1.67 K(o=-4.5,f=-7.2!) USER MOD Set 1.2: A 67 GLN : amide:sc= -2.86 K(o=-4.5,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0222 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00095 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.54 K(o=-0.54,f=-2.2!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.4) USER MOD Single : A 29 SER OG : rot 24:sc= 0.226 USER MOD Single : A 32 GLN : amide:sc= -0.023 K(o=-0.023,f=-7.8!) USER MOD Single : A 34 GLN : amide:sc= -0.0787 K(o=-0.079,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -111:sc= 0 (180deg=-0.0108) USER MOD Single : A 66 SER OG : rot -58:sc= 0.012 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.229 5.098 -35.597 1.00 0.00 N ATOM 2 CA GLY A 1 -10.906 4.599 -35.931 1.00 0.00 C ATOM 3 C GLY A 1 -10.586 3.325 -35.146 1.00 0.00 C ATOM 4 O GLY A 1 -11.466 2.497 -34.916 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.666 5.517 -36.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.820 4.313 -35.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.150 5.821 -34.854 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.850 4.395 -37.000 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.160 5.362 -35.712 1.00 0.00 H new ATOM 8 N SER A 2 -9.325 3.209 -34.757 1.00 0.00 N ATOM 9 CA SER A 2 -8.879 2.051 -34.002 1.00 0.00 C ATOM 10 C SER A 2 -8.590 2.449 -32.553 1.00 0.00 C ATOM 11 O SER A 2 -7.884 3.425 -32.303 1.00 0.00 O ATOM 12 CB SER A 2 -7.636 1.425 -34.638 1.00 0.00 C ATOM 13 OG SER A 2 -6.443 2.110 -34.267 1.00 0.00 O ATOM 0 H SER A 2 -8.598 3.898 -34.951 1.00 0.00 H new ATOM 0 HA SER A 2 -9.676 1.307 -34.015 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.562 0.380 -34.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.739 1.438 -35.723 1.00 0.00 H new ATOM 0 HG SER A 2 -5.672 1.679 -34.692 1.00 0.00 H new ATOM 19 N SER A 3 -9.149 1.673 -31.637 1.00 0.00 N ATOM 20 CA SER A 3 -8.961 1.933 -30.220 1.00 0.00 C ATOM 21 C SER A 3 -7.689 1.241 -29.726 1.00 0.00 C ATOM 22 O SER A 3 -7.137 1.614 -28.692 1.00 0.00 O ATOM 23 CB SER A 3 -10.169 1.464 -29.408 1.00 0.00 C ATOM 24 OG SER A 3 -10.158 1.986 -28.083 1.00 0.00 O ATOM 0 H SER A 3 -9.733 0.864 -31.848 1.00 0.00 H new ATOM 0 HA SER A 3 -8.860 3.009 -30.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.085 1.772 -29.911 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.178 0.375 -29.368 1.00 0.00 H new ATOM 0 HG SER A 3 -10.947 1.664 -27.598 1.00 0.00 H new ATOM 30 N GLY A 4 -7.260 0.246 -30.489 1.00 0.00 N ATOM 31 CA GLY A 4 -6.063 -0.501 -30.142 1.00 0.00 C ATOM 32 C GLY A 4 -6.193 -1.130 -28.753 1.00 0.00 C ATOM 33 O GLY A 4 -7.299 -1.421 -28.300 1.00 0.00 O ATOM 0 H GLY A 4 -7.720 -0.060 -31.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.889 -1.281 -30.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.197 0.161 -30.166 1.00 0.00 H new ATOM 37 N SER A 5 -5.047 -1.321 -28.115 1.00 0.00 N ATOM 38 CA SER A 5 -5.019 -1.910 -26.787 1.00 0.00 C ATOM 39 C SER A 5 -5.580 -3.333 -26.834 1.00 0.00 C ATOM 40 O SER A 5 -6.748 -3.533 -27.162 1.00 0.00 O ATOM 41 CB SER A 5 -5.810 -1.060 -25.791 1.00 0.00 C ATOM 42 OG SER A 5 -5.018 -0.676 -24.670 1.00 0.00 O ATOM 0 H SER A 5 -4.131 -1.078 -28.493 1.00 0.00 H new ATOM 0 HA SER A 5 -3.983 -1.946 -26.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.185 -0.168 -26.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.679 -1.620 -25.446 1.00 0.00 H new ATOM 0 HG SER A 5 -5.558 -0.133 -24.058 1.00 0.00 H new ATOM 48 N SER A 6 -4.720 -4.284 -26.500 1.00 0.00 N ATOM 49 CA SER A 6 -5.115 -5.683 -26.500 1.00 0.00 C ATOM 50 C SER A 6 -3.986 -6.545 -25.931 1.00 0.00 C ATOM 51 O SER A 6 -3.114 -6.999 -26.670 1.00 0.00 O ATOM 52 CB SER A 6 -5.483 -6.152 -27.909 1.00 0.00 C ATOM 53 OG SER A 6 -6.285 -7.329 -27.887 1.00 0.00 O ATOM 0 H SER A 6 -3.752 -4.114 -26.228 1.00 0.00 H new ATOM 0 HA SER A 6 -5.998 -5.789 -25.870 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.020 -5.357 -28.427 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.572 -6.344 -28.477 1.00 0.00 H new ATOM 0 HG SER A 6 -6.500 -7.595 -28.805 1.00 0.00 H new ATOM 59 N GLY A 7 -4.040 -6.745 -24.622 1.00 0.00 N ATOM 60 CA GLY A 7 -3.033 -7.545 -23.946 1.00 0.00 C ATOM 61 C GLY A 7 -3.488 -7.920 -22.534 1.00 0.00 C ATOM 62 O GLY A 7 -4.602 -8.406 -22.345 1.00 0.00 O ATOM 0 H GLY A 7 -4.765 -6.367 -24.012 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.836 -8.450 -24.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.096 -6.990 -23.895 1.00 0.00 H new ATOM 66 N SER A 8 -2.602 -7.679 -21.578 1.00 0.00 N ATOM 67 CA SER A 8 -2.899 -7.985 -20.189 1.00 0.00 C ATOM 68 C SER A 8 -3.116 -9.490 -20.019 1.00 0.00 C ATOM 69 O SER A 8 -3.904 -10.093 -20.747 1.00 0.00 O ATOM 70 CB SER A 8 -4.129 -7.214 -19.705 1.00 0.00 C ATOM 71 OG SER A 8 -3.839 -5.838 -19.473 1.00 0.00 O ATOM 0 H SER A 8 -1.679 -7.276 -21.738 1.00 0.00 H new ATOM 0 HA SER A 8 -2.048 -7.676 -19.582 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.924 -7.297 -20.446 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.502 -7.666 -18.786 1.00 0.00 H new ATOM 0 HG SER A 8 -4.650 -5.380 -19.167 1.00 0.00 H new ATOM 77 N ARG A 9 -2.404 -10.054 -19.055 1.00 0.00 N ATOM 78 CA ARG A 9 -2.509 -11.477 -18.780 1.00 0.00 C ATOM 79 C ARG A 9 -1.665 -11.846 -17.559 1.00 0.00 C ATOM 80 O ARG A 9 -0.644 -11.214 -17.292 1.00 0.00 O ATOM 81 CB ARG A 9 -2.046 -12.305 -19.981 1.00 0.00 C ATOM 82 CG ARG A 9 -0.519 -12.310 -20.086 1.00 0.00 C ATOM 83 CD ARG A 9 -0.068 -12.041 -21.523 1.00 0.00 C ATOM 84 NE ARG A 9 0.797 -13.144 -21.997 1.00 0.00 N ATOM 85 CZ ARG A 9 1.163 -13.316 -23.275 1.00 0.00 C ATOM 86 NH1 ARG A 9 0.741 -12.458 -24.214 1.00 0.00 N ATOM 87 NH2 ARG A 9 1.951 -14.345 -23.614 1.00 0.00 N ATOM 0 H ARG A 9 -1.751 -9.551 -18.454 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.557 -11.700 -18.581 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.411 -13.328 -19.885 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.476 -11.898 -20.896 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.103 -11.552 -19.422 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.131 -13.273 -19.753 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.937 -11.944 -22.174 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.474 -11.096 -21.572 1.00 0.00 H new ATOM 0 HE ARG A 9 1.136 -13.816 -21.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.141 -11.674 -23.956 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.019 -12.589 -25.186 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.273 -14.998 -22.900 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.229 -14.475 -24.587 1.00 0.00 H new ATOM 101 N GLN A 10 -2.123 -12.867 -16.849 1.00 0.00 N ATOM 102 CA GLN A 10 -1.423 -13.327 -15.662 1.00 0.00 C ATOM 103 C GLN A 10 -1.221 -12.169 -14.683 1.00 0.00 C ATOM 104 O GLN A 10 -0.219 -11.459 -14.755 1.00 0.00 O ATOM 105 CB GLN A 10 -0.087 -13.974 -16.030 1.00 0.00 C ATOM 106 CG GLN A 10 0.102 -15.301 -15.292 1.00 0.00 C ATOM 107 CD GLN A 10 1.112 -16.193 -16.016 1.00 0.00 C ATOM 108 OE1 GLN A 10 0.780 -16.951 -16.912 1.00 0.00 O ATOM 109 NE2 GLN A 10 2.361 -16.060 -15.579 1.00 0.00 N ATOM 0 H GLN A 10 -2.970 -13.388 -17.073 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.034 -14.086 -15.174 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.045 -14.143 -17.106 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.730 -13.296 -15.782 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.444 -15.110 -14.275 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.855 -15.818 -15.215 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.570 -15.406 -14.824 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.110 -16.612 -15.998 1.00 0.00 H new ATOM 118 N ALA A 11 -2.188 -12.014 -13.791 1.00 0.00 N ATOM 119 CA ALA A 11 -2.128 -10.955 -12.798 1.00 0.00 C ATOM 120 C ALA A 11 -2.397 -11.544 -11.412 1.00 0.00 C ATOM 121 O ALA A 11 -3.176 -12.486 -11.275 1.00 0.00 O ATOM 122 CB ALA A 11 -3.124 -9.853 -13.167 1.00 0.00 C ATOM 0 H ALA A 11 -3.018 -12.604 -13.735 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.136 -10.505 -12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.080 -9.058 -12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.871 -9.447 -14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.132 -10.268 -13.195 1.00 0.00 H new ATOM 128 N PRO A 12 -1.720 -10.950 -10.393 1.00 0.00 N ATOM 129 CA PRO A 12 -1.878 -11.406 -9.023 1.00 0.00 C ATOM 130 C PRO A 12 -3.219 -10.949 -8.445 1.00 0.00 C ATOM 131 O PRO A 12 -3.336 -9.830 -7.948 1.00 0.00 O ATOM 132 CB PRO A 12 -0.684 -10.833 -8.277 1.00 0.00 C ATOM 133 CG PRO A 12 -0.155 -9.701 -9.143 1.00 0.00 C ATOM 134 CD PRO A 12 -0.790 -9.832 -10.519 1.00 0.00 C ATOM 0 HA PRO A 12 -1.898 -12.493 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.977 -10.468 -7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.080 -11.594 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.399 -8.735 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.931 -9.752 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.308 -8.916 -10.805 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.039 -10.026 -11.285 1.00 0.00 H new ATOM 142 N ILE A 13 -4.197 -11.839 -8.529 1.00 0.00 N ATOM 143 CA ILE A 13 -5.525 -11.541 -8.020 1.00 0.00 C ATOM 144 C ILE A 13 -5.741 -12.287 -6.701 1.00 0.00 C ATOM 145 O ILE A 13 -5.254 -13.403 -6.529 1.00 0.00 O ATOM 146 CB ILE A 13 -6.586 -11.847 -9.079 1.00 0.00 C ATOM 147 CG1 ILE A 13 -6.655 -13.348 -9.369 1.00 0.00 C ATOM 148 CG2 ILE A 13 -6.345 -11.029 -10.349 1.00 0.00 C ATOM 149 CD1 ILE A 13 -7.973 -13.715 -10.053 1.00 0.00 C ATOM 0 H ILE A 13 -4.096 -12.766 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.620 -10.477 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.558 -11.550 -8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.818 -13.638 -10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.557 -13.907 -8.438 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.113 -11.266 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.386 -9.966 -10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.364 -11.272 -10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.996 -14.787 -10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.807 -13.446 -9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.057 -13.173 -10.995 1.00 0.00 H new ATOM 161 N ALA A 14 -6.470 -11.639 -5.804 1.00 0.00 N ATOM 162 CA ALA A 14 -6.755 -12.227 -4.506 1.00 0.00 C ATOM 163 C ALA A 14 -5.465 -12.291 -3.686 1.00 0.00 C ATOM 164 O ALA A 14 -4.387 -12.518 -4.234 1.00 0.00 O ATOM 165 CB ALA A 14 -7.393 -13.604 -4.698 1.00 0.00 C ATOM 0 H ALA A 14 -6.872 -10.713 -5.950 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.466 -11.613 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.607 -14.045 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.321 -13.500 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.707 -14.250 -5.246 1.00 0.00 H new ATOM 171 N ASN A 15 -5.618 -12.088 -2.386 1.00 0.00 N ATOM 172 CA ASN A 15 -4.478 -12.120 -1.484 1.00 0.00 C ATOM 173 C ASN A 15 -4.072 -13.574 -1.235 1.00 0.00 C ATOM 174 O ASN A 15 -4.869 -14.489 -1.438 1.00 0.00 O ATOM 175 CB ASN A 15 -4.826 -11.489 -0.135 1.00 0.00 C ATOM 176 CG ASN A 15 -4.488 -9.997 -0.124 1.00 0.00 C ATOM 177 OD1 ASN A 15 -3.669 -9.514 -0.889 1.00 0.00 O ATOM 178 ND2 ASN A 15 -5.162 -9.295 0.782 1.00 0.00 N ATOM 0 H ASN A 15 -6.514 -11.901 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.666 -11.559 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.887 -11.627 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.278 -11.996 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.007 -8.290 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.834 -9.761 1.392 1.00 0.00 H new ATOM 185 N ALA A 16 -2.832 -13.742 -0.799 1.00 0.00 N ATOM 186 CA ALA A 16 -2.310 -15.069 -0.520 1.00 0.00 C ATOM 187 C ALA A 16 -2.557 -15.411 0.950 1.00 0.00 C ATOM 188 O ALA A 16 -2.265 -14.609 1.836 1.00 0.00 O ATOM 189 CB ALA A 16 -0.826 -15.122 -0.890 1.00 0.00 C ATOM 0 H ALA A 16 -2.174 -12.981 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.823 -15.818 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.434 -16.117 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.707 -14.901 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.278 -14.385 -0.302 1.00 0.00 H new ATOM 195 N ALA A 17 -3.094 -16.604 1.165 1.00 0.00 N ATOM 196 CA ALA A 17 -3.384 -17.062 2.514 1.00 0.00 C ATOM 197 C ALA A 17 -2.070 -17.358 3.240 1.00 0.00 C ATOM 198 O ALA A 17 -1.042 -17.584 2.604 1.00 0.00 O ATOM 199 CB ALA A 17 -4.304 -18.282 2.451 1.00 0.00 C ATOM 0 H ALA A 17 -3.336 -17.267 0.428 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.906 -16.290 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.522 -18.626 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.234 -18.011 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.813 -19.080 1.894 1.00 0.00 H new ATOM 205 N VAL A 18 -2.147 -17.347 4.563 1.00 0.00 N ATOM 206 CA VAL A 18 -0.978 -17.612 5.383 1.00 0.00 C ATOM 207 C VAL A 18 -1.416 -18.276 6.690 1.00 0.00 C ATOM 208 O VAL A 18 -2.174 -17.692 7.463 1.00 0.00 O ATOM 209 CB VAL A 18 -0.190 -16.318 5.605 1.00 0.00 C ATOM 210 CG1 VAL A 18 -1.132 -15.140 5.858 1.00 0.00 C ATOM 211 CG2 VAL A 18 0.811 -16.476 6.750 1.00 0.00 C ATOM 0 H VAL A 18 -3.002 -17.159 5.087 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.306 -18.304 4.876 1.00 0.00 H new ATOM 0 HB VAL A 18 0.373 -16.107 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.547 -14.233 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.787 -15.007 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.734 -15.339 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.358 -15.543 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.278 -16.722 7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.512 -17.276 6.512 1.00 0.00 H new ATOM 221 N LEU A 19 -0.920 -19.487 6.896 1.00 0.00 N ATOM 222 CA LEU A 19 -1.251 -20.237 8.096 1.00 0.00 C ATOM 223 C LEU A 19 -0.593 -19.571 9.306 1.00 0.00 C ATOM 224 O LEU A 19 0.496 -19.011 9.194 1.00 0.00 O ATOM 225 CB LEU A 19 -0.878 -21.711 7.926 1.00 0.00 C ATOM 226 CG LEU A 19 -1.861 -22.564 7.121 1.00 0.00 C ATOM 227 CD1 LEU A 19 -3.218 -22.645 7.823 1.00 0.00 C ATOM 228 CD2 LEU A 19 -1.987 -22.048 5.686 1.00 0.00 C ATOM 0 H LEU A 19 -0.291 -19.968 6.252 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.327 -20.223 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.098 -21.765 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.769 -22.154 8.916 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.467 -23.579 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.898 -23.257 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.092 -23.093 8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.632 -21.643 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.691 -22.672 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.347 -21.019 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.012 -22.085 5.199 1.00 0.00 H new ATOM 240 N PRO A 20 -1.300 -19.657 10.464 1.00 0.00 N ATOM 241 CA PRO A 20 -0.796 -19.070 11.694 1.00 0.00 C ATOM 242 C PRO A 20 0.336 -19.915 12.282 1.00 0.00 C ATOM 243 O PRO A 20 0.675 -20.967 11.741 1.00 0.00 O ATOM 244 CB PRO A 20 -2.006 -18.977 12.610 1.00 0.00 C ATOM 245 CG PRO A 20 -3.037 -19.936 12.038 1.00 0.00 C ATOM 246 CD PRO A 20 -2.594 -20.313 10.634 1.00 0.00 C ATOM 0 HA PRO A 20 -0.353 -18.086 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.744 -19.250 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.395 -17.959 12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.120 -20.825 12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.022 -19.469 12.015 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.507 -21.394 10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.312 -19.972 9.888 1.00 0.00 H new ATOM 254 N GLN A 21 0.888 -19.424 13.381 1.00 0.00 N ATOM 255 CA GLN A 21 1.975 -20.121 14.048 1.00 0.00 C ATOM 256 C GLN A 21 3.073 -20.477 13.044 1.00 0.00 C ATOM 257 O GLN A 21 2.964 -20.159 11.861 1.00 0.00 O ATOM 258 CB GLN A 21 1.464 -21.371 14.768 1.00 0.00 C ATOM 259 CG GLN A 21 1.982 -21.425 16.207 1.00 0.00 C ATOM 260 CD GLN A 21 1.403 -22.628 16.953 1.00 0.00 C ATOM 261 OE1 GLN A 21 0.550 -23.347 16.458 1.00 0.00 O ATOM 262 NE2 GLN A 21 1.911 -22.807 18.169 1.00 0.00 N ATOM 0 H GLN A 21 0.603 -18.552 13.827 1.00 0.00 H new ATOM 0 HA GLN A 21 2.400 -19.456 14.800 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.374 -21.374 14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.784 -22.262 14.229 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.070 -21.484 16.204 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.714 -20.506 16.728 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.623 -22.168 18.523 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.589 -23.583 18.747 1.00 0.00 H new ATOM 271 N SER A 22 4.106 -21.132 13.553 1.00 0.00 N ATOM 272 CA SER A 22 5.223 -21.534 12.715 1.00 0.00 C ATOM 273 C SER A 22 5.882 -20.301 12.093 1.00 0.00 C ATOM 274 O SER A 22 6.759 -19.689 12.701 1.00 0.00 O ATOM 275 CB SER A 22 4.770 -22.502 11.620 1.00 0.00 C ATOM 276 OG SER A 22 4.467 -23.793 12.141 1.00 0.00 O ATOM 0 H SER A 22 4.193 -21.394 14.535 1.00 0.00 H new ATOM 0 HA SER A 22 5.951 -22.050 13.341 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.890 -22.097 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.553 -22.590 10.867 1.00 0.00 H new ATOM 0 HG SER A 22 4.180 -24.381 11.411 1.00 0.00 H new ATOM 282 N GLN A 23 5.434 -19.974 10.890 1.00 0.00 N ATOM 283 CA GLN A 23 5.970 -18.825 10.180 1.00 0.00 C ATOM 284 C GLN A 23 5.810 -17.558 11.023 1.00 0.00 C ATOM 285 O GLN A 23 4.730 -16.971 11.070 1.00 0.00 O ATOM 286 CB GLN A 23 5.299 -18.663 8.815 1.00 0.00 C ATOM 287 CG GLN A 23 6.300 -18.174 7.766 1.00 0.00 C ATOM 288 CD GLN A 23 6.395 -19.158 6.598 1.00 0.00 C ATOM 289 OE1 GLN A 23 5.413 -19.727 6.151 1.00 0.00 O ATOM 290 NE2 GLN A 23 7.629 -19.325 6.131 1.00 0.00 N ATOM 0 H GLN A 23 4.706 -20.484 10.389 1.00 0.00 H new ATOM 0 HA GLN A 23 7.033 -18.992 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.873 -19.616 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.474 -17.955 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.996 -17.194 7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.282 -18.052 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.407 -18.817 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.798 -19.961 5.352 1.00 0.00 H new ATOM 299 N GLY A 24 6.902 -17.173 11.668 1.00 0.00 N ATOM 300 CA GLY A 24 6.896 -15.987 12.507 1.00 0.00 C ATOM 301 C GLY A 24 8.322 -15.514 12.798 1.00 0.00 C ATOM 302 O GLY A 24 8.819 -15.677 13.911 1.00 0.00 O ATOM 0 H GLY A 24 7.796 -17.662 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.339 -15.191 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.382 -16.202 13.444 1.00 0.00 H new ATOM 306 N ARG A 25 8.940 -14.938 11.777 1.00 0.00 N ATOM 307 CA ARG A 25 10.299 -14.441 11.909 1.00 0.00 C ATOM 308 C ARG A 25 10.365 -12.965 11.511 1.00 0.00 C ATOM 309 O ARG A 25 9.404 -12.421 10.968 1.00 0.00 O ATOM 310 CB ARG A 25 11.266 -15.242 11.034 1.00 0.00 C ATOM 311 CG ARG A 25 12.209 -16.087 11.891 1.00 0.00 C ATOM 312 CD ARG A 25 13.649 -15.580 11.786 1.00 0.00 C ATOM 313 NE ARG A 25 14.255 -16.036 10.515 1.00 0.00 N ATOM 314 CZ ARG A 25 14.682 -17.287 10.293 1.00 0.00 C ATOM 315 NH1 ARG A 25 14.573 -18.213 11.256 1.00 0.00 N ATOM 316 NH2 ARG A 25 15.219 -17.611 9.109 1.00 0.00 N ATOM 0 H ARG A 25 8.525 -14.804 10.855 1.00 0.00 H new ATOM 0 HA ARG A 25 10.593 -14.553 12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.703 -15.889 10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.847 -14.562 10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.885 -16.058 12.931 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.162 -17.128 11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.664 -14.491 11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.234 -15.946 12.629 1.00 0.00 H new ATOM 0 HE ARG A 25 14.354 -15.356 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.165 -17.966 12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.898 -19.165 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.303 -16.906 8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.544 -18.563 8.940 1.00 0.00 H new ATOM 330 N VAL A 26 11.508 -12.359 11.796 1.00 0.00 N ATOM 331 CA VAL A 26 11.712 -10.957 11.475 1.00 0.00 C ATOM 332 C VAL A 26 11.572 -10.758 9.964 1.00 0.00 C ATOM 333 O VAL A 26 11.771 -11.694 9.191 1.00 0.00 O ATOM 334 CB VAL A 26 13.064 -10.487 12.017 1.00 0.00 C ATOM 335 CG1 VAL A 26 14.162 -11.507 11.709 1.00 0.00 C ATOM 336 CG2 VAL A 26 13.426 -9.107 11.464 1.00 0.00 C ATOM 0 H VAL A 26 12.303 -12.814 12.246 1.00 0.00 H new ATOM 0 HA VAL A 26 10.952 -10.341 11.956 1.00 0.00 H new ATOM 0 HB VAL A 26 12.980 -10.402 13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.112 -11.149 12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.912 -12.461 12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.245 -11.638 10.630 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.391 -8.796 11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.483 -9.154 10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.663 -8.386 11.756 1.00 0.00 H new ATOM 346 N ALA A 27 11.230 -9.534 9.589 1.00 0.00 N ATOM 347 CA ALA A 27 11.061 -9.201 8.185 1.00 0.00 C ATOM 348 C ALA A 27 10.669 -7.728 8.059 1.00 0.00 C ATOM 349 O ALA A 27 11.415 -6.929 7.494 1.00 0.00 O ATOM 350 CB ALA A 27 10.024 -10.137 7.560 1.00 0.00 C ATOM 0 H ALA A 27 11.065 -8.761 10.233 1.00 0.00 H new ATOM 0 HA ALA A 27 11.995 -9.341 7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.897 -9.888 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.364 -11.169 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.072 -10.022 8.078 1.00 0.00 H new ATOM 356 N ALA A 28 9.498 -7.412 8.593 1.00 0.00 N ATOM 357 CA ALA A 28 8.998 -6.049 8.547 1.00 0.00 C ATOM 358 C ALA A 28 10.154 -5.077 8.789 1.00 0.00 C ATOM 359 O ALA A 28 10.875 -5.199 9.779 1.00 0.00 O ATOM 360 CB ALA A 28 7.873 -5.883 9.570 1.00 0.00 C ATOM 0 H ALA A 28 8.881 -8.077 9.060 1.00 0.00 H new ATOM 0 HA ALA A 28 8.581 -5.827 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.498 -4.860 9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.064 -6.575 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.255 -6.096 10.568 1.00 0.00 H new ATOM 366 N SER A 29 10.296 -4.134 7.869 1.00 0.00 N ATOM 367 CA SER A 29 11.353 -3.142 7.970 1.00 0.00 C ATOM 368 C SER A 29 10.748 -1.754 8.191 1.00 0.00 C ATOM 369 O SER A 29 9.664 -1.459 7.690 1.00 0.00 O ATOM 370 CB SER A 29 12.233 -3.145 6.719 1.00 0.00 C ATOM 371 OG SER A 29 12.890 -4.396 6.531 1.00 0.00 O ATOM 0 H SER A 29 9.696 -4.036 7.050 1.00 0.00 H new ATOM 0 HA SER A 29 11.982 -3.397 8.823 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.621 -2.922 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.977 -2.353 6.798 1.00 0.00 H new ATOM 0 HG SER A 29 12.387 -5.102 6.988 1.00 0.00 H new ATOM 377 N GLU A 30 11.475 -0.939 8.940 1.00 0.00 N ATOM 378 CA GLU A 30 11.024 0.411 9.233 1.00 0.00 C ATOM 379 C GLU A 30 10.806 1.191 7.935 1.00 0.00 C ATOM 380 O GLU A 30 9.792 1.868 7.776 1.00 0.00 O ATOM 381 CB GLU A 30 12.015 1.134 10.148 1.00 0.00 C ATOM 382 CG GLU A 30 11.814 2.649 10.085 1.00 0.00 C ATOM 383 CD GLU A 30 11.888 3.270 11.481 1.00 0.00 C ATOM 384 OE1 GLU A 30 10.926 3.057 12.249 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.906 3.945 11.749 1.00 0.00 O ATOM 0 H GLU A 30 12.374 -1.187 9.353 1.00 0.00 H new ATOM 0 HA GLU A 30 10.072 0.349 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.887 0.789 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.035 0.886 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.575 3.094 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.847 2.873 9.634 1.00 0.00 H new ATOM 392 N GLU A 31 11.776 1.070 7.040 1.00 0.00 N ATOM 393 CA GLU A 31 11.703 1.755 5.761 1.00 0.00 C ATOM 394 C GLU A 31 10.321 1.561 5.133 1.00 0.00 C ATOM 395 O GLU A 31 9.745 2.502 4.588 1.00 0.00 O ATOM 396 CB GLU A 31 12.806 1.274 4.817 1.00 0.00 C ATOM 397 CG GLU A 31 13.337 2.426 3.961 1.00 0.00 C ATOM 398 CD GLU A 31 12.435 2.671 2.750 1.00 0.00 C ATOM 399 OE1 GLU A 31 11.438 3.404 2.924 1.00 0.00 O ATOM 400 OE2 GLU A 31 12.763 2.119 1.678 1.00 0.00 O ATOM 0 H GLU A 31 12.616 0.508 7.176 1.00 0.00 H new ATOM 0 HA GLU A 31 11.857 2.820 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.622 0.841 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.419 0.485 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.398 3.333 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.349 2.198 3.625 1.00 0.00 H new ATOM 407 N GLN A 32 9.829 0.335 5.230 1.00 0.00 N ATOM 408 CA GLN A 32 8.526 0.006 4.678 1.00 0.00 C ATOM 409 C GLN A 32 7.421 0.709 5.470 1.00 0.00 C ATOM 410 O GLN A 32 6.660 1.499 4.913 1.00 0.00 O ATOM 411 CB GLN A 32 8.306 -1.508 4.657 1.00 0.00 C ATOM 412 CG GLN A 32 9.468 -2.221 3.962 1.00 0.00 C ATOM 413 CD GLN A 32 9.484 -3.711 4.310 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.570 -4.105 5.462 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.396 -4.514 3.254 1.00 0.00 N ATOM 0 H GLN A 32 10.309 -0.443 5.683 1.00 0.00 H new ATOM 0 HA GLN A 32 8.490 0.360 3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.205 -1.879 5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.373 -1.737 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.382 -2.097 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.411 -1.764 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.327 -4.118 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.398 -5.526 3.381 1.00 0.00 H new ATOM 424 N ILE A 33 7.368 0.396 6.756 1.00 0.00 N ATOM 425 CA ILE A 33 6.370 0.988 7.630 1.00 0.00 C ATOM 426 C ILE A 33 6.216 2.472 7.290 1.00 0.00 C ATOM 427 O ILE A 33 5.106 3.002 7.295 1.00 0.00 O ATOM 428 CB ILE A 33 6.718 0.726 9.097 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.530 -0.751 9.449 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.916 1.643 10.023 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.715 -1.276 10.262 1.00 0.00 C ATOM 0 H ILE A 33 8.000 -0.260 7.214 1.00 0.00 H new ATOM 0 HA ILE A 33 5.398 0.521 7.469 1.00 0.00 H new ATOM 0 HB ILE A 33 7.772 0.961 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.609 -0.879 10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.424 -1.336 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.182 1.436 11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.143 2.683 9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.851 1.463 9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.556 -2.328 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.631 -1.169 9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.803 -0.705 11.186 1.00 0.00 H new ATOM 443 N GLN A 34 7.346 3.101 7.003 1.00 0.00 N ATOM 444 CA GLN A 34 7.351 4.513 6.662 1.00 0.00 C ATOM 445 C GLN A 34 6.823 4.717 5.240 1.00 0.00 C ATOM 446 O GLN A 34 6.028 5.623 4.994 1.00 0.00 O ATOM 447 CB GLN A 34 8.751 5.110 6.817 1.00 0.00 C ATOM 448 CG GLN A 34 9.268 4.932 8.246 1.00 0.00 C ATOM 449 CD GLN A 34 8.444 5.761 9.234 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.809 6.742 8.883 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.489 5.313 10.485 1.00 0.00 N ATOM 0 H GLN A 34 8.265 2.658 7.000 1.00 0.00 H new ATOM 0 HA GLN A 34 6.690 5.036 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.435 4.630 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.728 6.170 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.224 3.879 8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.315 5.232 8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.041 4.485 10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.972 5.797 11.219 1.00 0.00 H new ATOM 460 N LYS A 35 7.286 3.860 4.342 1.00 0.00 N ATOM 461 CA LYS A 35 6.870 3.935 2.952 1.00 0.00 C ATOM 462 C LYS A 35 5.351 3.769 2.869 1.00 0.00 C ATOM 463 O LYS A 35 4.722 4.239 1.922 1.00 0.00 O ATOM 464 CB LYS A 35 7.646 2.925 2.105 1.00 0.00 C ATOM 465 CG LYS A 35 8.534 3.635 1.081 1.00 0.00 C ATOM 466 CD LYS A 35 8.725 2.774 -0.169 1.00 0.00 C ATOM 467 CE LYS A 35 7.496 2.844 -1.076 1.00 0.00 C ATOM 468 NZ LYS A 35 7.728 2.082 -2.324 1.00 0.00 N ATOM 0 H LYS A 35 7.945 3.110 4.550 1.00 0.00 H new ATOM 0 HA LYS A 35 7.107 4.914 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.260 2.298 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.948 2.264 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.085 4.589 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.504 3.856 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.605 3.112 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.908 1.740 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.628 2.442 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.271 3.884 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.884 2.140 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.544 2.483 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.920 1.086 -2.092 1.00 0.00 H new ATOM 482 N LEU A 36 4.805 3.099 3.874 1.00 0.00 N ATOM 483 CA LEU A 36 3.372 2.866 3.926 1.00 0.00 C ATOM 484 C LEU A 36 2.718 3.930 4.810 1.00 0.00 C ATOM 485 O LEU A 36 1.746 4.565 4.405 1.00 0.00 O ATOM 486 CB LEU A 36 3.079 1.432 4.372 1.00 0.00 C ATOM 487 CG LEU A 36 3.599 0.324 3.453 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.248 -1.058 4.008 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.089 0.514 2.023 1.00 0.00 C ATOM 0 H LEU A 36 5.329 2.711 4.658 1.00 0.00 H new ATOM 0 HA LEU A 36 2.934 2.963 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.508 1.286 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.000 1.317 4.472 1.00 0.00 H new ATOM 0 HG LEU A 36 4.686 0.390 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.629 -1.827 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.699 -1.180 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.165 -1.152 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.473 -0.286 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.999 0.489 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.431 1.475 1.639 1.00 0.00 H new ATOM 501 N VAL A 37 3.278 4.092 5.999 1.00 0.00 N ATOM 502 CA VAL A 37 2.762 5.068 6.943 1.00 0.00 C ATOM 503 C VAL A 37 2.743 6.448 6.283 1.00 0.00 C ATOM 504 O VAL A 37 1.836 7.244 6.526 1.00 0.00 O ATOM 505 CB VAL A 37 3.583 5.034 8.234 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.308 6.271 9.092 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.314 3.750 9.021 1.00 0.00 C ATOM 0 H VAL A 37 4.085 3.563 6.331 1.00 0.00 H new ATOM 0 HA VAL A 37 1.736 4.825 7.220 1.00 0.00 H new ATOM 0 HB VAL A 37 4.638 5.044 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.904 6.222 10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.574 7.168 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.250 6.306 9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.910 3.751 9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.256 3.696 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.584 2.887 8.412 1.00 0.00 H new ATOM 517 N ALA A 38 3.753 6.690 5.461 1.00 0.00 N ATOM 518 CA ALA A 38 3.864 7.960 4.765 1.00 0.00 C ATOM 519 C ALA A 38 2.693 8.107 3.791 1.00 0.00 C ATOM 520 O ALA A 38 2.139 9.195 3.639 1.00 0.00 O ATOM 521 CB ALA A 38 5.220 8.041 4.061 1.00 0.00 C ATOM 0 H ALA A 38 4.502 6.027 5.261 1.00 0.00 H new ATOM 0 HA ALA A 38 3.813 8.789 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.303 8.994 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.018 7.961 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.306 7.225 3.343 1.00 0.00 H new ATOM 527 N MET A 39 2.350 6.995 3.156 1.00 0.00 N ATOM 528 CA MET A 39 1.255 6.986 2.202 1.00 0.00 C ATOM 529 C MET A 39 -0.076 7.298 2.890 1.00 0.00 C ATOM 530 O MET A 39 -1.025 7.738 2.244 1.00 0.00 O ATOM 531 CB MET A 39 1.173 5.614 1.531 1.00 0.00 C ATOM 532 CG MET A 39 2.343 5.404 0.567 1.00 0.00 C ATOM 533 SD MET A 39 1.756 5.431 -1.119 1.00 0.00 S ATOM 534 CE MET A 39 1.452 3.690 -1.369 1.00 0.00 C ATOM 0 H MET A 39 2.812 6.094 3.284 1.00 0.00 H new ATOM 0 HA MET A 39 1.445 7.756 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.179 4.833 2.291 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.231 5.526 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.090 6.184 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.831 4.452 0.776 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.078 3.527 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.380 3.135 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.712 3.343 -0.648 1.00 0.00 H new ATOM 544 N GLY A 40 -0.101 7.058 4.193 1.00 0.00 N ATOM 545 CA GLY A 40 -1.299 7.308 4.976 1.00 0.00 C ATOM 546 C GLY A 40 -1.823 6.015 5.605 1.00 0.00 C ATOM 547 O GLY A 40 -3.032 5.811 5.699 1.00 0.00 O ATOM 0 H GLY A 40 0.689 6.693 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.081 8.035 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.069 7.745 4.340 1.00 0.00 H new ATOM 551 N PHE A 41 -0.886 5.175 6.020 1.00 0.00 N ATOM 552 CA PHE A 41 -1.237 3.908 6.637 1.00 0.00 C ATOM 553 C PHE A 41 -0.800 3.872 8.103 1.00 0.00 C ATOM 554 O PHE A 41 -0.078 4.756 8.561 1.00 0.00 O ATOM 555 CB PHE A 41 -0.493 2.814 5.869 1.00 0.00 C ATOM 556 CG PHE A 41 -1.021 2.580 4.452 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.352 2.388 4.246 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.160 2.562 3.400 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.842 2.170 2.931 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.650 2.344 2.085 1.00 0.00 C ATOM 561 CZ PHE A 41 -1.981 2.153 1.878 1.00 0.00 C ATOM 0 H PHE A 41 0.116 5.348 5.941 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.317 3.765 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.563 3.078 5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.560 1.881 6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.036 2.401 5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.897 2.713 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.899 2.018 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.034 2.330 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.354 1.988 0.878 1.00 0.00 H new ATOM 571 N ASP A 42 -1.257 2.841 8.799 1.00 0.00 N ATOM 572 CA ASP A 42 -0.922 2.678 10.203 1.00 0.00 C ATOM 573 C ASP A 42 0.184 1.629 10.341 1.00 0.00 C ATOM 574 O ASP A 42 0.091 0.545 9.768 1.00 0.00 O ATOM 575 CB ASP A 42 -2.132 2.197 11.006 1.00 0.00 C ATOM 576 CG ASP A 42 -2.253 2.789 12.411 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.462 2.359 13.278 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.133 3.660 12.587 1.00 0.00 O ATOM 0 H ASP A 42 -1.857 2.110 8.416 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.596 3.645 10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.037 2.436 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.086 1.111 11.088 1.00 0.00 H new ATOM 583 N ARG A 43 1.204 1.989 11.106 1.00 0.00 N ATOM 584 CA ARG A 43 2.326 1.093 11.327 1.00 0.00 C ATOM 585 C ARG A 43 1.829 -0.339 11.532 1.00 0.00 C ATOM 586 O ARG A 43 2.306 -1.266 10.879 1.00 0.00 O ATOM 587 CB ARG A 43 3.142 1.523 12.547 1.00 0.00 C ATOM 588 CG ARG A 43 4.372 0.630 12.727 1.00 0.00 C ATOM 589 CD ARG A 43 5.454 1.345 13.539 1.00 0.00 C ATOM 590 NE ARG A 43 6.640 0.470 13.682 1.00 0.00 N ATOM 591 CZ ARG A 43 6.778 -0.457 14.640 1.00 0.00 C ATOM 592 NH1 ARG A 43 5.806 -0.636 15.544 1.00 0.00 N ATOM 593 NH2 ARG A 43 7.888 -1.205 14.693 1.00 0.00 N ATOM 0 H ARG A 43 1.277 2.889 11.581 1.00 0.00 H new ATOM 0 HA ARG A 43 2.964 1.136 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.455 2.561 12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.520 1.475 13.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.085 -0.293 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.769 0.351 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.735 2.275 13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.067 1.610 14.523 1.00 0.00 H new ATOM 0 HE ARG A 43 7.399 0.580 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.961 -0.067 15.503 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.911 -1.342 16.273 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.628 -1.069 14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.993 -1.911 15.422 1.00 0.00 H new ATOM 607 N THR A 44 0.877 -0.476 12.443 1.00 0.00 N ATOM 608 CA THR A 44 0.310 -1.780 12.743 1.00 0.00 C ATOM 609 C THR A 44 -0.185 -2.454 11.462 1.00 0.00 C ATOM 610 O THR A 44 0.240 -3.561 11.135 1.00 0.00 O ATOM 611 CB THR A 44 -0.788 -1.588 13.791 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.077 -1.272 14.985 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.514 -2.893 14.124 1.00 0.00 C ATOM 0 H THR A 44 0.484 0.295 12.983 1.00 0.00 H new ATOM 0 HA THR A 44 1.062 -2.452 13.157 1.00 0.00 H new ATOM 0 HB THR A 44 -1.508 -0.853 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.713 -1.130 15.717 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.283 -2.701 14.872 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.977 -3.292 13.222 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.800 -3.617 14.515 1.00 0.00 H new ATOM 621 N GLN A 45 -1.076 -1.758 10.771 1.00 0.00 N ATOM 622 CA GLN A 45 -1.633 -2.275 9.533 1.00 0.00 C ATOM 623 C GLN A 45 -0.511 -2.702 8.584 1.00 0.00 C ATOM 624 O GLN A 45 -0.622 -3.722 7.905 1.00 0.00 O ATOM 625 CB GLN A 45 -2.550 -1.245 8.871 1.00 0.00 C ATOM 626 CG GLN A 45 -3.735 -0.903 9.776 1.00 0.00 C ATOM 627 CD GLN A 45 -5.062 -1.105 9.042 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.647 -2.176 9.049 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.502 -0.020 8.411 1.00 0.00 N ATOM 0 H GLN A 45 -1.426 -0.840 11.045 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.237 -3.151 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.985 -0.340 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.914 -1.635 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.709 -1.530 10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.655 0.131 10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.962 0.845 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.379 -0.053 7.892 1.00 0.00 H new ATOM 638 N VAL A 46 0.543 -1.899 8.566 1.00 0.00 N ATOM 639 CA VAL A 46 1.683 -2.180 7.711 1.00 0.00 C ATOM 640 C VAL A 46 2.330 -3.496 8.148 1.00 0.00 C ATOM 641 O VAL A 46 2.576 -4.375 7.323 1.00 0.00 O ATOM 642 CB VAL A 46 2.657 -1.000 7.732 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.877 -1.280 6.854 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.959 0.294 7.306 1.00 0.00 C ATOM 0 H VAL A 46 0.631 -1.054 9.130 1.00 0.00 H new ATOM 0 HA VAL A 46 1.363 -2.302 6.676 1.00 0.00 H new ATOM 0 HB VAL A 46 3.005 -0.871 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.553 -0.425 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.394 -2.166 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.555 -1.448 5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.673 1.117 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.569 0.181 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.138 0.507 7.990 1.00 0.00 H new ATOM 654 N GLU A 47 2.587 -3.591 9.444 1.00 0.00 N ATOM 655 CA GLU A 47 3.200 -4.785 10.000 1.00 0.00 C ATOM 656 C GLU A 47 2.318 -6.007 9.736 1.00 0.00 C ATOM 657 O GLU A 47 2.766 -6.983 9.136 1.00 0.00 O ATOM 658 CB GLU A 47 3.470 -4.617 11.497 1.00 0.00 C ATOM 659 CG GLU A 47 4.601 -3.616 11.741 1.00 0.00 C ATOM 660 CD GLU A 47 5.243 -3.837 13.112 1.00 0.00 C ATOM 661 OE1 GLU A 47 6.070 -4.769 13.207 1.00 0.00 O ATOM 662 OE2 GLU A 47 4.891 -3.069 14.033 1.00 0.00 O ATOM 0 H GLU A 47 2.382 -2.860 10.125 1.00 0.00 H new ATOM 0 HA GLU A 47 4.159 -4.940 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.564 -4.276 11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.732 -5.581 11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.356 -3.718 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.212 -2.600 11.677 1.00 0.00 H new ATOM 669 N VAL A 48 1.079 -5.914 10.197 1.00 0.00 N ATOM 670 CA VAL A 48 0.130 -6.999 10.018 1.00 0.00 C ATOM 671 C VAL A 48 0.186 -7.486 8.569 1.00 0.00 C ATOM 672 O VAL A 48 0.300 -8.684 8.316 1.00 0.00 O ATOM 673 CB VAL A 48 -1.268 -6.547 10.444 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.317 -7.605 10.093 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.305 -6.212 11.936 1.00 0.00 C ATOM 0 H VAL A 48 0.711 -5.103 10.694 1.00 0.00 H new ATOM 0 HA VAL A 48 0.391 -7.844 10.655 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.510 -5.639 9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.302 -7.259 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.317 -7.774 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.080 -8.537 10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.310 -5.893 12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.032 -7.095 12.514 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.599 -5.408 12.146 1.00 0.00 H new ATOM 685 N ALA A 49 0.102 -6.531 7.654 1.00 0.00 N ATOM 686 CA ALA A 49 0.142 -6.847 6.236 1.00 0.00 C ATOM 687 C ALA A 49 1.524 -7.395 5.879 1.00 0.00 C ATOM 688 O ALA A 49 1.649 -8.537 5.440 1.00 0.00 O ATOM 689 CB ALA A 49 -0.220 -5.601 5.425 1.00 0.00 C ATOM 0 H ALA A 49 0.006 -5.538 7.867 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.590 -7.617 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.190 -5.838 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.223 -5.270 5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.495 -4.807 5.640 1.00 0.00 H new ATOM 695 N LEU A 50 2.529 -6.554 6.079 1.00 0.00 N ATOM 696 CA LEU A 50 3.898 -6.940 5.783 1.00 0.00 C ATOM 697 C LEU A 50 4.111 -8.400 6.188 1.00 0.00 C ATOM 698 O LEU A 50 4.903 -9.110 5.571 1.00 0.00 O ATOM 699 CB LEU A 50 4.882 -5.970 6.440 1.00 0.00 C ATOM 700 CG LEU A 50 5.349 -4.799 5.573 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.048 -3.734 6.421 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.233 -5.286 4.423 1.00 0.00 C ATOM 0 H LEU A 50 2.422 -5.607 6.442 1.00 0.00 H new ATOM 0 HA LEU A 50 4.089 -6.875 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.418 -5.567 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.759 -6.533 6.758 1.00 0.00 H new ATOM 0 HG LEU A 50 4.470 -4.332 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.370 -2.913 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.356 -3.357 7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.916 -4.173 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.551 -4.434 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.109 -5.792 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.669 -5.979 3.799 1.00 0.00 H new ATOM 714 N ALA A 51 3.389 -8.805 7.222 1.00 0.00 N ATOM 715 CA ALA A 51 3.489 -10.168 7.717 1.00 0.00 C ATOM 716 C ALA A 51 2.909 -11.127 6.676 1.00 0.00 C ATOM 717 O ALA A 51 3.612 -12.003 6.174 1.00 0.00 O ATOM 718 CB ALA A 51 2.779 -10.274 9.068 1.00 0.00 C ATOM 0 H ALA A 51 2.732 -8.214 7.731 1.00 0.00 H new ATOM 0 HA ALA A 51 4.532 -10.444 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.854 -11.296 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.248 -9.594 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.729 -10.007 8.949 1.00 0.00 H new ATOM 724 N ALA A 52 1.632 -10.930 6.382 1.00 0.00 N ATOM 725 CA ALA A 52 0.950 -11.767 5.410 1.00 0.00 C ATOM 726 C ALA A 52 1.608 -11.590 4.040 1.00 0.00 C ATOM 727 O ALA A 52 1.607 -12.510 3.224 1.00 0.00 O ATOM 728 CB ALA A 52 -0.539 -11.418 5.391 1.00 0.00 C ATOM 0 H ALA A 52 1.052 -10.203 6.800 1.00 0.00 H new ATOM 0 HA ALA A 52 1.035 -12.819 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.051 -12.046 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.965 -11.589 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.664 -10.370 5.118 1.00 0.00 H new ATOM 734 N ALA A 53 2.153 -10.401 3.831 1.00 0.00 N ATOM 735 CA ALA A 53 2.813 -10.091 2.574 1.00 0.00 C ATOM 736 C ALA A 53 4.111 -10.894 2.473 1.00 0.00 C ATOM 737 O ALA A 53 4.576 -11.195 1.374 1.00 0.00 O ATOM 738 CB ALA A 53 3.051 -8.583 2.480 1.00 0.00 C ATOM 0 H ALA A 53 2.151 -9.641 4.511 1.00 0.00 H new ATOM 0 HA ALA A 53 2.184 -10.374 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.546 -8.351 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.096 -8.060 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.681 -8.262 3.309 1.00 0.00 H new ATOM 744 N ASP A 54 4.661 -11.218 3.634 1.00 0.00 N ATOM 745 CA ASP A 54 5.897 -11.981 3.690 1.00 0.00 C ATOM 746 C ASP A 54 7.084 -11.032 3.514 1.00 0.00 C ATOM 747 O ASP A 54 8.101 -11.407 2.931 1.00 0.00 O ATOM 748 CB ASP A 54 5.953 -13.022 2.571 1.00 0.00 C ATOM 749 CG ASP A 54 6.622 -14.344 2.952 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.136 -14.414 4.089 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.606 -15.256 2.096 1.00 0.00 O ATOM 0 H ASP A 54 4.274 -10.966 4.543 1.00 0.00 H new ATOM 0 HA ASP A 54 5.938 -12.487 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.936 -13.229 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.486 -12.593 1.723 1.00 0.00 H new ATOM 756 N ASP A 55 6.916 -9.823 4.028 1.00 0.00 N ATOM 757 CA ASP A 55 7.962 -8.818 3.934 1.00 0.00 C ATOM 758 C ASP A 55 7.899 -8.150 2.558 1.00 0.00 C ATOM 759 O ASP A 55 8.880 -7.561 2.105 1.00 0.00 O ATOM 760 CB ASP A 55 9.347 -9.448 4.091 1.00 0.00 C ATOM 761 CG ASP A 55 10.389 -8.557 4.769 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.159 -7.329 4.789 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.393 -9.124 5.252 1.00 0.00 O ATOM 0 H ASP A 55 6.072 -9.516 4.511 1.00 0.00 H new ATOM 0 HA ASP A 55 7.804 -8.091 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.248 -10.368 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.717 -9.727 3.104 1.00 0.00 H new ATOM 768 N ASP A 56 6.737 -8.264 1.933 1.00 0.00 N ATOM 769 CA ASP A 56 6.534 -7.679 0.618 1.00 0.00 C ATOM 770 C ASP A 56 5.842 -6.323 0.770 1.00 0.00 C ATOM 771 O ASP A 56 4.930 -6.175 1.582 1.00 0.00 O ATOM 772 CB ASP A 56 5.643 -8.570 -0.250 1.00 0.00 C ATOM 773 CG ASP A 56 6.352 -9.241 -1.428 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.702 -8.504 -2.374 1.00 0.00 O ATOM 775 OD2 ASP A 56 6.527 -10.477 -1.356 1.00 0.00 O ATOM 0 H ASP A 56 5.926 -8.753 2.312 1.00 0.00 H new ATOM 0 HA ASP A 56 7.509 -7.572 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.205 -9.344 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.819 -7.969 -0.635 1.00 0.00 H new ATOM 780 N LEU A 57 6.303 -5.368 -0.024 1.00 0.00 N ATOM 781 CA LEU A 57 5.740 -4.029 0.012 1.00 0.00 C ATOM 782 C LEU A 57 4.617 -3.924 -1.022 1.00 0.00 C ATOM 783 O LEU A 57 3.468 -3.661 -0.671 1.00 0.00 O ATOM 784 CB LEU A 57 6.840 -2.980 -0.167 1.00 0.00 C ATOM 785 CG LEU A 57 6.466 -1.545 0.210 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.331 -1.526 1.236 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.692 -0.769 0.696 1.00 0.00 C ATOM 0 H LEU A 57 7.060 -5.495 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 57 5.296 -3.829 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.701 -3.279 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.158 -2.990 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 57 6.100 -1.041 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.085 -0.494 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.453 -2.017 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.646 -2.053 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.399 0.248 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.111 -1.263 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.441 -0.738 -0.096 1.00 0.00 H new ATOM 799 N THR A 58 4.988 -4.137 -2.276 1.00 0.00 N ATOM 800 CA THR A 58 4.026 -4.070 -3.363 1.00 0.00 C ATOM 801 C THR A 58 2.757 -4.842 -2.999 1.00 0.00 C ATOM 802 O THR A 58 1.667 -4.504 -3.459 1.00 0.00 O ATOM 803 CB THR A 58 4.709 -4.586 -4.631 1.00 0.00 C ATOM 804 OG1 THR A 58 5.400 -3.449 -5.141 1.00 0.00 O ATOM 805 CG2 THR A 58 3.708 -4.940 -5.733 1.00 0.00 C ATOM 0 H THR A 58 5.942 -4.356 -2.564 1.00 0.00 H new ATOM 0 HA THR A 58 3.704 -3.045 -3.545 1.00 0.00 H new ATOM 0 HB THR A 58 5.307 -5.464 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.873 -3.695 -5.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.245 -5.301 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.033 -5.718 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.132 -4.054 -5.999 1.00 0.00 H new ATOM 813 N VAL A 59 2.939 -5.865 -2.177 1.00 0.00 N ATOM 814 CA VAL A 59 1.822 -6.688 -1.747 1.00 0.00 C ATOM 815 C VAL A 59 1.162 -6.045 -0.525 1.00 0.00 C ATOM 816 O VAL A 59 -0.051 -5.842 -0.506 1.00 0.00 O ATOM 817 CB VAL A 59 2.296 -8.119 -1.486 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.108 -9.076 -1.363 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.263 -8.583 -2.577 1.00 0.00 C ATOM 0 H VAL A 59 3.844 -6.143 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 59 1.067 -6.748 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 59 2.832 -8.127 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.472 -10.086 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.472 -8.762 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.532 -9.062 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.585 -9.603 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.762 -8.552 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.132 -7.925 -2.597 1.00 0.00 H new ATOM 829 N ALA A 60 1.989 -5.743 0.465 1.00 0.00 N ATOM 830 CA ALA A 60 1.500 -5.128 1.687 1.00 0.00 C ATOM 831 C ALA A 60 0.612 -3.934 1.332 1.00 0.00 C ATOM 832 O ALA A 60 -0.538 -3.861 1.763 1.00 0.00 O ATOM 833 CB ALA A 60 2.687 -4.730 2.568 1.00 0.00 C ATOM 0 H ALA A 60 2.995 -5.913 0.446 1.00 0.00 H new ATOM 0 HA ALA A 60 0.893 -5.833 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.321 -4.268 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.270 -5.617 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.317 -4.021 2.031 1.00 0.00 H new ATOM 839 N VAL A 61 1.179 -3.027 0.549 1.00 0.00 N ATOM 840 CA VAL A 61 0.453 -1.840 0.131 1.00 0.00 C ATOM 841 C VAL A 61 -0.963 -2.236 -0.291 1.00 0.00 C ATOM 842 O VAL A 61 -1.938 -1.616 0.132 1.00 0.00 O ATOM 843 CB VAL A 61 1.225 -1.115 -0.972 1.00 0.00 C ATOM 844 CG1 VAL A 61 1.438 -2.028 -2.182 1.00 0.00 C ATOM 845 CG2 VAL A 61 0.517 0.179 -1.379 1.00 0.00 C ATOM 0 H VAL A 61 2.133 -3.091 0.193 1.00 0.00 H new ATOM 0 HA VAL A 61 0.361 -1.137 0.959 1.00 0.00 H new ATOM 0 HB VAL A 61 2.205 -0.849 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.989 -1.489 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.005 -2.908 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.471 -2.339 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.087 0.674 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.482 -0.053 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.441 0.839 -0.515 1.00 0.00 H new ATOM 855 N GLU A 62 -1.032 -3.267 -1.121 1.00 0.00 N ATOM 856 CA GLU A 62 -2.313 -3.753 -1.606 1.00 0.00 C ATOM 857 C GLU A 62 -3.215 -4.135 -0.430 1.00 0.00 C ATOM 858 O GLU A 62 -4.417 -3.875 -0.456 1.00 0.00 O ATOM 859 CB GLU A 62 -2.126 -4.935 -2.559 1.00 0.00 C ATOM 860 CG GLU A 62 -1.360 -4.510 -3.814 1.00 0.00 C ATOM 861 CD GLU A 62 -2.250 -3.686 -4.747 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.267 -2.449 -4.568 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.892 -4.311 -5.618 1.00 0.00 O ATOM 0 H GLU A 62 -0.222 -3.779 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.796 -2.951 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.586 -5.734 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.099 -5.337 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.485 -3.925 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.996 -5.393 -4.339 1.00 0.00 H new ATOM 870 N ILE A 63 -2.600 -4.746 0.572 1.00 0.00 N ATOM 871 CA ILE A 63 -3.333 -5.166 1.754 1.00 0.00 C ATOM 872 C ILE A 63 -3.787 -3.930 2.533 1.00 0.00 C ATOM 873 O ILE A 63 -4.946 -3.838 2.937 1.00 0.00 O ATOM 874 CB ILE A 63 -2.497 -6.143 2.584 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.384 -7.499 1.884 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.054 -6.274 4.002 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.187 -8.291 2.414 1.00 0.00 C ATOM 0 H ILE A 63 -1.603 -4.960 0.590 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.232 -5.713 1.470 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.488 -5.741 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.300 -8.070 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.279 -7.350 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.442 -6.974 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.039 -5.300 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.079 -6.642 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.129 -9.251 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.271 -7.728 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.307 -8.459 3.484 1.00 0.00 H new ATOM 889 N LEU A 64 -2.851 -3.012 2.722 1.00 0.00 N ATOM 890 CA LEU A 64 -3.141 -1.785 3.445 1.00 0.00 C ATOM 891 C LEU A 64 -4.310 -1.064 2.771 1.00 0.00 C ATOM 892 O LEU A 64 -5.233 -0.607 3.443 1.00 0.00 O ATOM 893 CB LEU A 64 -1.881 -0.928 3.573 1.00 0.00 C ATOM 894 CG LEU A 64 -0.853 -1.395 4.606 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.001 -0.618 5.916 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.941 -2.907 4.822 1.00 0.00 C ATOM 0 H LEU A 64 -1.891 -3.093 2.387 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.451 -2.009 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.394 -0.886 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.182 0.089 3.823 1.00 0.00 H new ATOM 0 HG LEU A 64 0.143 -1.183 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.259 -0.969 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.849 0.445 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.000 -0.776 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.200 -3.213 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.938 -3.166 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.748 -3.421 3.880 1.00 0.00 H new ATOM 908 N MET A 65 -4.232 -0.985 1.451 1.00 0.00 N ATOM 909 CA MET A 65 -5.272 -0.328 0.678 1.00 0.00 C ATOM 910 C MET A 65 -6.613 -1.049 0.838 1.00 0.00 C ATOM 911 O MET A 65 -7.643 -0.411 1.051 1.00 0.00 O ATOM 912 CB MET A 65 -4.876 -0.308 -0.800 1.00 0.00 C ATOM 913 CG MET A 65 -3.724 0.669 -1.045 1.00 0.00 C ATOM 914 SD MET A 65 -4.292 2.348 -0.833 1.00 0.00 S ATOM 915 CE MET A 65 -4.996 2.644 -2.446 1.00 0.00 C ATOM 0 H MET A 65 -3.465 -1.365 0.897 1.00 0.00 H new ATOM 0 HA MET A 65 -5.383 0.692 1.047 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.582 -1.309 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.735 -0.022 -1.407 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.908 0.462 -0.353 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.330 0.534 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.385 3.371 -2.982 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.025 1.710 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.009 3.032 -2.335 1.00 0.00 H new ATOM 925 N SER A 66 -6.556 -2.368 0.728 1.00 0.00 N ATOM 926 CA SER A 66 -7.752 -3.182 0.857 1.00 0.00 C ATOM 927 C SER A 66 -7.629 -4.104 2.072 1.00 0.00 C ATOM 928 O SER A 66 -7.675 -5.326 1.935 1.00 0.00 O ATOM 929 CB SER A 66 -7.999 -4.003 -0.410 1.00 0.00 C ATOM 930 OG SER A 66 -9.297 -4.591 -0.420 1.00 0.00 O ATOM 0 H SER A 66 -5.700 -2.893 0.551 1.00 0.00 H new ATOM 0 HA SER A 66 -8.604 -2.517 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.884 -3.363 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.245 -4.787 -0.487 1.00 0.00 H new ATOM 0 HG SER A 66 -9.405 -5.159 0.371 1.00 0.00 H new ATOM 936 N GLN A 67 -7.474 -3.484 3.233 1.00 0.00 N ATOM 937 CA GLN A 67 -7.343 -4.234 4.470 1.00 0.00 C ATOM 938 C GLN A 67 -8.722 -4.506 5.074 1.00 0.00 C ATOM 939 O GLN A 67 -9.093 -5.658 5.292 1.00 0.00 O ATOM 940 CB GLN A 67 -6.444 -3.498 5.465 1.00 0.00 C ATOM 941 CG GLN A 67 -5.146 -4.271 5.707 1.00 0.00 C ATOM 942 CD GLN A 67 -4.771 -4.263 7.191 1.00 0.00 C ATOM 943 OE1 GLN A 67 -5.611 -4.369 8.070 1.00 0.00 O ATOM 944 NE2 GLN A 67 -3.468 -4.133 7.419 1.00 0.00 N ATOM 0 H GLN A 67 -7.436 -2.471 3.343 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.872 -5.191 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.213 -2.503 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.973 -3.364 6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.261 -5.299 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.340 -3.828 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.819 -4.049 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.117 -4.117 8.377 1.00 0.00 H new ATOM 953 N SER A 68 -9.445 -3.424 5.328 1.00 0.00 N ATOM 954 CA SER A 68 -10.775 -3.531 5.902 1.00 0.00 C ATOM 955 C SER A 68 -11.785 -3.912 4.818 1.00 0.00 C ATOM 956 O SER A 68 -12.158 -3.080 3.992 1.00 0.00 O ATOM 957 CB SER A 68 -11.190 -2.223 6.578 1.00 0.00 C ATOM 958 OG SER A 68 -10.805 -2.185 7.949 1.00 0.00 O ATOM 0 H SER A 68 -9.134 -2.470 5.147 1.00 0.00 H new ATOM 0 HA SER A 68 -10.757 -4.312 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.737 -1.383 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.271 -2.102 6.501 1.00 0.00 H new ATOM 0 HG SER A 68 -11.086 -1.334 8.344 1.00 0.00 H new ATOM 964 N GLY A 69 -12.199 -5.170 4.854 1.00 0.00 N ATOM 965 CA GLY A 69 -13.158 -5.672 3.885 1.00 0.00 C ATOM 966 C GLY A 69 -14.569 -5.704 4.476 1.00 0.00 C ATOM 967 O GLY A 69 -14.782 -5.272 5.608 1.00 0.00 O ATOM 0 H GLY A 69 -11.887 -5.857 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.146 -5.041 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.870 -6.674 3.568 1.00 0.00 H new ATOM 971 N PRO A 70 -15.521 -6.233 3.661 1.00 0.00 N ATOM 972 CA PRO A 70 -16.905 -6.327 4.092 1.00 0.00 C ATOM 973 C PRO A 70 -17.090 -7.462 5.102 1.00 0.00 C ATOM 974 O PRO A 70 -17.880 -8.377 4.876 1.00 0.00 O ATOM 975 CB PRO A 70 -17.701 -6.535 2.813 1.00 0.00 C ATOM 976 CG PRO A 70 -16.701 -7.014 1.773 1.00 0.00 C ATOM 977 CD PRO A 70 -15.305 -6.754 2.315 1.00 0.00 C ATOM 0 HA PRO A 70 -17.244 -5.434 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.493 -7.269 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.180 -5.609 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.840 -8.076 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.849 -6.487 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.711 -7.668 2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.767 -6.037 1.695 1.00 0.00 H new ATOM 985 N SER A 71 -16.347 -7.364 6.194 1.00 0.00 N ATOM 986 CA SER A 71 -16.418 -8.371 7.240 1.00 0.00 C ATOM 987 C SER A 71 -15.792 -7.832 8.528 1.00 0.00 C ATOM 988 O SER A 71 -14.888 -7.000 8.482 1.00 0.00 O ATOM 989 CB SER A 71 -15.720 -9.662 6.810 1.00 0.00 C ATOM 990 OG SER A 71 -16.366 -10.819 7.335 1.00 0.00 O ATOM 0 H SER A 71 -15.693 -6.603 6.378 1.00 0.00 H new ATOM 0 HA SER A 71 -17.468 -8.602 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.702 -9.719 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.683 -9.642 7.145 1.00 0.00 H new ATOM 0 HG SER A 71 -15.891 -11.623 7.036 1.00 0.00 H new ATOM 996 N SER A 72 -16.299 -8.329 9.647 1.00 0.00 N ATOM 997 CA SER A 72 -15.801 -7.908 10.946 1.00 0.00 C ATOM 998 C SER A 72 -14.384 -8.442 11.161 1.00 0.00 C ATOM 999 O SER A 72 -13.451 -7.670 11.374 1.00 0.00 O ATOM 1000 CB SER A 72 -16.724 -8.383 12.070 1.00 0.00 C ATOM 1001 OG SER A 72 -17.177 -7.303 12.881 1.00 0.00 O ATOM 0 H SER A 72 -17.049 -9.019 9.681 1.00 0.00 H new ATOM 0 HA SER A 72 -15.779 -6.818 10.967 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.583 -8.899 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.196 -9.106 12.691 1.00 0.00 H new ATOM 0 HG SER A 72 -17.765 -7.647 13.586 1.00 0.00 H new ATOM 1007 N GLY A 73 -14.267 -9.761 11.098 1.00 0.00 N ATOM 1008 CA GLY A 73 -12.979 -10.407 11.283 1.00 0.00 C ATOM 1009 C GLY A 73 -12.627 -10.511 12.769 1.00 0.00 C ATOM 1010 O GLY A 73 -13.100 -11.411 13.461 1.00 0.00 O ATOM 0 H GLY A 73 -15.043 -10.399 10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.000 -11.403 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.206 -9.842 10.761 1.00 0.00 H new TER 1014 GLY A 73