USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.12 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.117 F(o=-0.7,f=0.12) USER MOD Single : A 42 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.54) USER MOD Single : A 46 SER OG : rot 130:sc= -0.195 USER MOD Single : A 53 GLN : amide:sc= -0.884 K(o=-0.88,f=-4.5!) USER MOD Single : A 54 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.844 USER MOD Single : A 60 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.37) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 64 SER OG : rot 180:sc= -0.631 USER MOD Single : A 67 ASN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.1!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 76 THR OG1 : rot 70:sc= -2.38! USER MOD Single : A 77 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.44) USER MOD Single : A 79 THR OG1 : rot -86:sc= 1.3 USER MOD Single : A 82 MET CE :methyl 177:sc= -0.123 (180deg=-0.169) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -4.09 F(o=-4.7,f=-4.1) USER MOD Single : A 103 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-2.7!) USER MOD Single : A 105 ASN : amide:sc= -5.16! C(o=-5.2!,f=-18!) USER MOD Single : A 109 MET CE :methyl -115:sc= -11.6! (180deg=-17.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 64:sc= 0.36 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -126:sc= -2.01 (180deg=-2.46) USER MOD Single : A 124 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.9!) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.443 F(o=-1.5,f=-0.44) USER MOD Single : A 127 MET CE :methyl -155:sc= -3.34 (180deg=-5.69!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.615 11.193 -6.914 1.00 0.00 N ATOM 44 CA THR A 32 -15.815 10.652 -6.280 1.00 0.00 C ATOM 45 C THR A 32 -15.466 9.833 -5.042 1.00 0.00 C ATOM 46 O THR A 32 -14.475 9.103 -5.026 1.00 0.00 O ATOM 47 CB THR A 32 -16.598 9.789 -7.272 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.561 8.999 -6.597 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.723 8.855 -8.077 1.00 0.00 C ATOM 0 HA THR A 32 -16.435 11.493 -5.969 1.00 0.00 H new ATOM 0 HB THR A 32 -17.072 10.494 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.053 8.456 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.343 8.274 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.000 9.436 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.194 8.181 -7.403 1.00 0.00 H new ATOM 57 N SER A 33 -16.291 9.961 -4.005 1.00 0.00 N ATOM 58 CA SER A 33 -16.078 9.237 -2.755 1.00 0.00 C ATOM 59 C SER A 33 -15.894 7.743 -3.007 1.00 0.00 C ATOM 60 O SER A 33 -15.087 7.087 -2.349 1.00 0.00 O ATOM 61 CB SER A 33 -17.255 9.467 -1.801 1.00 0.00 C ATOM 62 OG SER A 33 -18.233 10.309 -2.385 1.00 0.00 O ATOM 0 H SER A 33 -17.116 10.561 -4.007 1.00 0.00 H new ATOM 0 HA SER A 33 -15.166 9.620 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.706 8.510 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.893 9.914 -0.875 1.00 0.00 H new ATOM 0 HG SER A 33 -18.973 10.437 -1.755 1.00 0.00 H new ATOM 68 N SER A 34 -16.646 7.211 -3.965 1.00 0.00 N ATOM 69 CA SER A 34 -16.561 5.795 -4.303 1.00 0.00 C ATOM 70 C SER A 34 -15.160 5.445 -4.788 1.00 0.00 C ATOM 71 O SER A 34 -14.597 4.423 -4.401 1.00 0.00 O ATOM 72 CB SER A 34 -17.591 5.441 -5.377 1.00 0.00 C ATOM 73 OG SER A 34 -18.856 6.002 -5.075 1.00 0.00 O ATOM 0 H SER A 34 -17.320 7.738 -4.520 1.00 0.00 H new ATOM 0 HA SER A 34 -16.775 5.215 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.250 5.805 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.680 4.358 -5.457 1.00 0.00 H new ATOM 0 HG SER A 34 -19.496 5.763 -5.777 1.00 0.00 H new ATOM 79 N GLN A 35 -14.601 6.304 -5.634 1.00 0.00 N ATOM 80 CA GLN A 35 -13.262 6.087 -6.167 1.00 0.00 C ATOM 81 C GLN A 35 -12.219 6.217 -5.066 1.00 0.00 C ATOM 82 O GLN A 35 -11.277 5.428 -4.994 1.00 0.00 O ATOM 83 CB GLN A 35 -12.971 7.078 -7.288 1.00 0.00 C ATOM 84 CG GLN A 35 -11.900 6.605 -8.258 1.00 0.00 C ATOM 85 CD GLN A 35 -10.511 7.068 -7.866 1.00 0.00 C ATOM 86 OE1 GLN A 35 -9.636 6.256 -7.564 1.00 0.00 O ATOM 87 NE2 GLN A 35 -10.301 8.378 -7.871 1.00 0.00 N ATOM 0 H GLN A 35 -15.054 7.156 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.213 5.076 -6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.891 7.268 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.660 8.027 -6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.915 5.516 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.133 6.973 -9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.055 9.014 -8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.385 8.749 -7.618 1.00 0.00 H new ATOM 96 N LEU A 36 -12.400 7.210 -4.199 1.00 0.00 N ATOM 97 CA LEU A 36 -11.477 7.428 -3.091 1.00 0.00 C ATOM 98 C LEU A 36 -11.320 6.145 -2.286 1.00 0.00 C ATOM 99 O LEU A 36 -10.205 5.712 -1.991 1.00 0.00 O ATOM 100 CB LEU A 36 -11.985 8.551 -2.180 1.00 0.00 C ATOM 101 CG LEU A 36 -11.527 9.966 -2.551 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.034 9.994 -2.843 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.319 10.485 -3.740 1.00 0.00 C ATOM 0 H LEU A 36 -13.174 7.873 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.509 7.719 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.075 8.530 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.663 8.340 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.715 10.621 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.733 11.009 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.484 9.668 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.813 9.325 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.982 11.491 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.165 9.827 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.379 10.510 -3.488 1.00 0.00 H new ATOM 115 N LEU A 37 -12.450 5.540 -1.940 1.00 0.00 N ATOM 116 CA LEU A 37 -12.447 4.304 -1.176 1.00 0.00 C ATOM 117 C LEU A 37 -12.196 3.096 -2.080 1.00 0.00 C ATOM 118 O LEU A 37 -11.847 2.019 -1.600 1.00 0.00 O ATOM 119 CB LEU A 37 -13.766 4.140 -0.412 1.00 0.00 C ATOM 120 CG LEU A 37 -14.948 3.638 -1.243 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.946 2.119 -1.310 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.260 4.148 -0.666 1.00 0.00 C ATOM 0 H LEU A 37 -13.379 5.887 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.632 4.358 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.604 3.447 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.034 5.101 0.026 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.846 4.025 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.794 1.780 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.019 1.776 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.023 1.710 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.090 3.781 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.370 3.791 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.261 5.238 -0.672 1.00 0.00 H new ATOM 134 N SER A 38 -12.369 3.272 -3.390 1.00 0.00 N ATOM 135 CA SER A 38 -12.146 2.177 -4.326 1.00 0.00 C ATOM 136 C SER A 38 -10.658 1.858 -4.440 1.00 0.00 C ATOM 137 O SER A 38 -10.278 0.740 -4.789 1.00 0.00 O ATOM 138 CB SER A 38 -12.715 2.522 -5.703 1.00 0.00 C ATOM 139 OG SER A 38 -13.747 1.623 -6.069 1.00 0.00 O ATOM 0 H SER A 38 -12.659 4.150 -3.820 1.00 0.00 H new ATOM 0 HA SER A 38 -12.662 1.296 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.102 3.541 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.919 2.489 -6.447 1.00 0.00 H new ATOM 0 HG SER A 38 -14.095 1.866 -6.952 1.00 0.00 H new ATOM 145 N VAL A 39 -9.818 2.844 -4.136 1.00 0.00 N ATOM 146 CA VAL A 39 -8.376 2.659 -4.203 1.00 0.00 C ATOM 147 C VAL A 39 -7.840 2.157 -2.871 1.00 0.00 C ATOM 148 O VAL A 39 -7.006 1.254 -2.826 1.00 0.00 O ATOM 149 CB VAL A 39 -7.648 3.963 -4.580 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.240 3.663 -5.069 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.433 4.733 -5.634 1.00 0.00 C ATOM 0 H VAL A 39 -10.112 3.775 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.186 1.920 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.576 4.587 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.740 4.595 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.680 3.160 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.289 3.018 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.901 5.650 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.541 4.119 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.420 4.981 -5.243 1.00 0.00 H new ATOM 161 N ARG A 40 -8.331 2.742 -1.784 1.00 0.00 N ATOM 162 CA ARG A 40 -7.901 2.342 -0.453 1.00 0.00 C ATOM 163 C ARG A 40 -8.284 0.891 -0.186 1.00 0.00 C ATOM 164 O ARG A 40 -7.627 0.195 0.588 1.00 0.00 O ATOM 165 CB ARG A 40 -8.510 3.263 0.607 1.00 0.00 C ATOM 166 CG ARG A 40 -10.011 3.100 0.779 1.00 0.00 C ATOM 167 CD ARG A 40 -10.354 2.107 1.879 1.00 0.00 C ATOM 168 NE ARG A 40 -9.630 2.388 3.118 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.695 1.594 3.639 1.00 0.00 C ATOM 170 NH1 ARG A 40 -8.352 0.462 3.036 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.097 1.936 4.772 1.00 0.00 N ATOM 0 H ARG A 40 -9.023 3.491 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.816 2.428 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.022 3.072 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.295 4.298 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.456 4.067 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.449 2.765 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.426 2.136 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.118 1.098 1.542 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.856 3.249 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.806 0.191 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.635 -0.137 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.353 2.804 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.381 1.331 5.174 1.00 0.00 H new ATOM 185 N HIS A 41 -9.346 0.437 -0.845 1.00 0.00 N ATOM 186 CA HIS A 41 -9.813 -0.933 -0.693 1.00 0.00 C ATOM 187 C HIS A 41 -8.955 -1.885 -1.522 1.00 0.00 C ATOM 188 O HIS A 41 -8.650 -2.997 -1.092 1.00 0.00 O ATOM 189 CB HIS A 41 -11.278 -1.044 -1.120 1.00 0.00 C ATOM 190 CG HIS A 41 -12.250 -0.884 0.009 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.769 0.229 0.583 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.806 -1.953 0.680 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.619 -0.186 1.577 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.625 -1.505 1.615 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.899 1.001 -1.490 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.729 -1.211 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.485 -0.286 -1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.437 -2.015 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.566 1.194 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.604 -2.994 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.191 0.462 2.224 1.00 0.00 H new ATOM 203 N GLN A 42 -8.568 -1.438 -2.716 1.00 0.00 N ATOM 204 CA GLN A 42 -7.747 -2.250 -3.607 1.00 0.00 C ATOM 205 C GLN A 42 -6.275 -2.206 -3.197 1.00 0.00 C ATOM 206 O GLN A 42 -5.538 -3.172 -3.391 1.00 0.00 O ATOM 207 CB GLN A 42 -7.912 -1.779 -5.059 1.00 0.00 C ATOM 208 CG GLN A 42 -6.995 -0.628 -5.452 1.00 0.00 C ATOM 209 CD GLN A 42 -5.745 -1.097 -6.172 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.814 -1.911 -7.092 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.594 -0.584 -5.754 1.00 0.00 N ATOM 0 H GLN A 42 -8.810 -0.519 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.086 -3.283 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.725 -2.621 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.947 -1.473 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.541 0.064 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.709 -0.075 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.584 0.088 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.720 -0.862 -6.200 1.00 0.00 H new ATOM 220 N LEU A 43 -5.853 -1.077 -2.636 1.00 0.00 N ATOM 221 CA LEU A 43 -4.468 -0.908 -2.208 1.00 0.00 C ATOM 222 C LEU A 43 -4.190 -1.695 -0.930 1.00 0.00 C ATOM 223 O LEU A 43 -3.343 -2.589 -0.913 1.00 0.00 O ATOM 224 CB LEU A 43 -4.159 0.580 -1.988 1.00 0.00 C ATOM 225 CG LEU A 43 -2.705 1.027 -2.236 1.00 0.00 C ATOM 226 CD1 LEU A 43 -2.078 1.540 -0.948 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.860 -0.097 -2.824 1.00 0.00 C ATOM 0 H LEU A 43 -6.449 -0.267 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.820 -1.295 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.810 1.163 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.423 0.835 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.732 1.837 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.052 1.851 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.651 2.390 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.082 0.747 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.842 0.259 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.845 -0.941 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.287 -0.414 -3.775 1.00 0.00 H new ATOM 239 N ALA A 44 -4.907 -1.358 0.139 1.00 0.00 N ATOM 240 CA ALA A 44 -4.737 -2.034 1.422 1.00 0.00 C ATOM 241 C ALA A 44 -4.784 -3.551 1.260 1.00 0.00 C ATOM 242 O ALA A 44 -3.996 -4.274 1.870 1.00 0.00 O ATOM 243 CB ALA A 44 -5.804 -1.576 2.406 1.00 0.00 C ATOM 0 H ALA A 44 -5.612 -0.620 0.142 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.755 -1.768 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.665 -2.088 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.721 -0.500 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.791 -1.812 2.008 1.00 0.00 H new ATOM 249 N GLU A 45 -5.710 -4.026 0.434 1.00 0.00 N ATOM 250 CA GLU A 45 -5.856 -5.457 0.191 1.00 0.00 C ATOM 251 C GLU A 45 -4.566 -6.041 -0.377 1.00 0.00 C ATOM 252 O GLU A 45 -4.083 -7.075 0.086 1.00 0.00 O ATOM 253 CB GLU A 45 -7.018 -5.716 -0.771 1.00 0.00 C ATOM 254 CG GLU A 45 -8.286 -6.188 -0.079 1.00 0.00 C ATOM 255 CD GLU A 45 -8.949 -7.346 -0.800 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.763 -7.089 -1.712 1.00 0.00 O ATOM 257 OE2 GLU A 45 -8.653 -8.509 -0.454 1.00 0.00 O ATOM 0 H GLU A 45 -6.371 -3.442 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.068 -5.946 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.234 -4.801 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.713 -6.464 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.048 -6.489 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.989 -5.357 -0.011 1.00 0.00 H new ATOM 264 N SER A 46 -4.011 -5.369 -1.380 1.00 0.00 N ATOM 265 CA SER A 46 -2.776 -5.817 -2.011 1.00 0.00 C ATOM 266 C SER A 46 -1.574 -5.548 -1.110 1.00 0.00 C ATOM 267 O SER A 46 -0.556 -6.234 -1.197 1.00 0.00 O ATOM 268 CB SER A 46 -2.585 -5.117 -3.358 1.00 0.00 C ATOM 269 OG SER A 46 -2.039 -6.003 -4.321 1.00 0.00 O ATOM 0 H SER A 46 -4.398 -4.511 -1.773 1.00 0.00 H new ATOM 0 HA SER A 46 -2.850 -6.892 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.543 -4.736 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.926 -4.258 -3.235 1.00 0.00 H new ATOM 0 HG SER A 46 -2.576 -5.967 -5.140 1.00 0.00 H new ATOM 275 N ALA A 47 -1.698 -4.544 -0.245 1.00 0.00 N ATOM 276 CA ALA A 47 -0.621 -4.187 0.671 1.00 0.00 C ATOM 277 C ALA A 47 -0.420 -5.267 1.728 1.00 0.00 C ATOM 278 O ALA A 47 -0.713 -5.061 2.906 1.00 0.00 O ATOM 279 CB ALA A 47 -0.910 -2.845 1.329 1.00 0.00 C ATOM 0 H ALA A 47 -2.533 -3.965 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 47 0.301 -4.104 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.098 -2.591 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.995 -2.075 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.845 -2.907 1.886 1.00 0.00 H new ATOM 285 N GLY A 48 0.082 -6.421 1.299 1.00 0.00 N ATOM 286 CA GLY A 48 0.314 -7.518 2.220 1.00 0.00 C ATOM 287 C GLY A 48 0.854 -8.753 1.526 1.00 0.00 C ATOM 288 O GLY A 48 0.488 -9.043 0.387 1.00 0.00 O ATOM 0 H GLY A 48 0.332 -6.616 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.018 -7.200 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.619 -7.768 2.725 1.00 0.00 H new ATOM 292 N LEU A 49 1.729 -9.480 2.213 1.00 0.00 N ATOM 293 CA LEU A 49 2.323 -10.690 1.655 1.00 0.00 C ATOM 294 C LEU A 49 1.387 -11.885 1.826 1.00 0.00 C ATOM 295 O LEU A 49 0.677 -11.987 2.827 1.00 0.00 O ATOM 296 CB LEU A 49 3.666 -10.977 2.328 1.00 0.00 C ATOM 297 CG LEU A 49 4.766 -9.951 2.042 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.064 -10.360 2.721 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.969 -9.795 0.542 1.00 0.00 C ATOM 0 H LEU A 49 2.043 -9.253 3.157 1.00 0.00 H new ATOM 0 HA LEU A 49 2.485 -10.530 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.511 -11.030 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.014 -11.959 2.007 1.00 0.00 H new ATOM 0 HG LEU A 49 4.457 -8.988 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.835 -9.620 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.908 -10.421 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.381 -11.333 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.754 -9.062 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.258 -10.754 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.040 -9.457 0.082 1.00 0.00 H new ATOM 311 N PRO A 50 1.367 -12.808 0.846 1.00 0.00 N ATOM 312 CA PRO A 50 0.504 -13.992 0.898 1.00 0.00 C ATOM 313 C PRO A 50 0.701 -14.809 2.176 1.00 0.00 C ATOM 314 O PRO A 50 -0.126 -14.752 3.086 1.00 0.00 O ATOM 315 CB PRO A 50 0.914 -14.798 -0.341 1.00 0.00 C ATOM 316 CG PRO A 50 1.520 -13.798 -1.264 1.00 0.00 C ATOM 317 CD PRO A 50 2.172 -12.765 -0.388 1.00 0.00 C ATOM 0 HA PRO A 50 -0.552 -13.722 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.627 -15.582 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.053 -15.287 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.250 -14.268 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.761 -13.345 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.218 -13.004 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.151 -11.777 -0.848 1.00 0.00 H new ATOM 325 N ARG A 51 1.791 -15.572 2.246 1.00 0.00 N ATOM 326 CA ARG A 51 2.067 -16.392 3.421 1.00 0.00 C ATOM 327 C ARG A 51 3.570 -16.542 3.666 1.00 0.00 C ATOM 328 O ARG A 51 4.141 -15.846 4.506 1.00 0.00 O ATOM 329 CB ARG A 51 1.413 -17.771 3.275 1.00 0.00 C ATOM 330 CG ARG A 51 1.387 -18.302 1.847 1.00 0.00 C ATOM 331 CD ARG A 51 -0.034 -18.432 1.321 1.00 0.00 C ATOM 332 NE ARG A 51 -0.118 -19.362 0.198 1.00 0.00 N ATOM 333 CZ ARG A 51 -1.202 -19.516 -0.559 1.00 0.00 C ATOM 334 NH1 ARG A 51 -2.296 -18.805 -0.315 1.00 0.00 N ATOM 335 NH2 ARG A 51 -1.192 -20.382 -1.562 1.00 0.00 N ATOM 0 H ARG A 51 2.492 -15.638 1.508 1.00 0.00 H new ATOM 0 HA ARG A 51 1.639 -15.884 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.947 -18.482 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.391 -17.717 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.955 -17.634 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.879 -19.274 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.688 -18.773 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.396 -17.453 1.009 1.00 0.00 H new ATOM 0 HE ARG A 51 0.703 -19.927 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.309 -18.137 0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.124 -18.927 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.354 -20.931 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.023 -20.500 -2.142 1.00 0.00 H new ATOM 349 N ASP A 52 4.203 -17.458 2.936 1.00 0.00 N ATOM 350 CA ASP A 52 5.633 -17.704 3.084 1.00 0.00 C ATOM 351 C ASP A 52 6.446 -16.455 2.763 1.00 0.00 C ATOM 352 O ASP A 52 7.528 -16.249 3.312 1.00 0.00 O ATOM 353 CB ASP A 52 6.069 -18.854 2.174 1.00 0.00 C ATOM 354 CG ASP A 52 5.458 -20.180 2.584 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.772 -20.660 3.693 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.667 -20.737 1.795 1.00 0.00 O ATOM 0 H ASP A 52 3.746 -18.042 2.236 1.00 0.00 H new ATOM 0 HA ASP A 52 5.819 -17.975 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.784 -18.628 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.156 -18.937 2.193 1.00 0.00 H new ATOM 361 N GLN A 53 5.919 -15.624 1.869 1.00 0.00 N ATOM 362 CA GLN A 53 6.599 -14.395 1.474 1.00 0.00 C ATOM 363 C GLN A 53 7.032 -13.591 2.696 1.00 0.00 C ATOM 364 O GLN A 53 8.078 -12.942 2.684 1.00 0.00 O ATOM 365 CB GLN A 53 5.683 -13.545 0.592 1.00 0.00 C ATOM 366 CG GLN A 53 5.738 -13.917 -0.881 1.00 0.00 C ATOM 367 CD GLN A 53 5.556 -12.718 -1.792 1.00 0.00 C ATOM 368 OE1 GLN A 53 6.301 -11.742 -1.708 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.562 -12.787 -2.670 1.00 0.00 N ATOM 0 H GLN A 53 5.024 -15.779 1.405 1.00 0.00 H new ATOM 0 HA GLN A 53 7.490 -14.669 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.657 -13.646 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.957 -12.496 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.696 -14.391 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.963 -14.653 -1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.969 -13.616 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.392 -12.011 -3.310 1.00 0.00 H new ATOM 378 N HIS A 54 6.219 -13.638 3.746 1.00 0.00 N ATOM 379 CA HIS A 54 6.513 -12.911 4.977 1.00 0.00 C ATOM 380 C HIS A 54 7.599 -13.613 5.787 1.00 0.00 C ATOM 381 O HIS A 54 8.526 -12.975 6.284 1.00 0.00 O ATOM 382 CB HIS A 54 5.247 -12.768 5.824 1.00 0.00 C ATOM 383 CG HIS A 54 5.463 -12.002 7.093 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.286 -12.444 8.107 1.00 0.00 N ATOM 385 CD2 HIS A 54 4.964 -10.813 7.507 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.284 -11.561 9.089 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.491 -10.562 8.750 1.00 0.00 N ATOM 0 H HIS A 54 5.350 -14.172 3.770 1.00 0.00 H new ATOM 0 HA HIS A 54 6.876 -11.921 4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.478 -12.269 5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.868 -13.760 6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.279 -10.180 6.961 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.837 -11.643 10.013 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.300 -9.737 9.319 1.00 0.00 H new ATOM 396 N GLU A 55 7.474 -14.930 5.920 1.00 0.00 N ATOM 397 CA GLU A 55 8.441 -15.720 6.676 1.00 0.00 C ATOM 398 C GLU A 55 9.861 -15.512 6.156 1.00 0.00 C ATOM 399 O GLU A 55 10.833 -15.766 6.866 1.00 0.00 O ATOM 400 CB GLU A 55 8.076 -17.204 6.613 1.00 0.00 C ATOM 401 CG GLU A 55 6.721 -17.523 7.224 1.00 0.00 C ATOM 402 CD GLU A 55 6.195 -18.881 6.802 1.00 0.00 C ATOM 403 OE1 GLU A 55 6.782 -19.901 7.222 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.197 -18.925 6.053 1.00 0.00 O ATOM 0 H GLU A 55 6.712 -15.473 5.514 1.00 0.00 H new ATOM 0 HA GLU A 55 8.407 -15.383 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.081 -17.527 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.843 -17.781 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.800 -17.490 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.005 -16.754 6.933 1.00 0.00 H new ATOM 411 N PHE A 56 9.979 -15.055 4.914 1.00 0.00 N ATOM 412 CA PHE A 56 11.284 -14.822 4.309 1.00 0.00 C ATOM 413 C PHE A 56 11.748 -13.383 4.537 1.00 0.00 C ATOM 414 O PHE A 56 12.843 -13.148 5.042 1.00 0.00 O ATOM 415 CB PHE A 56 11.228 -15.144 2.808 1.00 0.00 C ATOM 416 CG PHE A 56 12.217 -14.378 1.969 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.575 -14.443 2.238 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.784 -13.593 0.913 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.482 -13.739 1.469 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.687 -12.887 0.140 1.00 0.00 C ATOM 421 CZ PHE A 56 14.038 -12.961 0.419 1.00 0.00 C ATOM 0 H PHE A 56 9.188 -14.839 4.308 1.00 0.00 H new ATOM 0 HA PHE A 56 12.009 -15.482 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.404 -16.211 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.222 -14.937 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.928 -15.051 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.729 -13.532 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.538 -13.798 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.337 -12.279 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.746 -12.411 -0.184 1.00 0.00 H new ATOM 431 N VAL A 57 10.915 -12.426 4.149 1.00 0.00 N ATOM 432 CA VAL A 57 11.247 -11.012 4.294 1.00 0.00 C ATOM 433 C VAL A 57 11.301 -10.569 5.758 1.00 0.00 C ATOM 434 O VAL A 57 11.727 -9.452 6.053 1.00 0.00 O ATOM 435 CB VAL A 57 10.237 -10.124 3.541 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.853 -10.238 4.163 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.704 -8.675 3.519 1.00 0.00 C ATOM 0 H VAL A 57 10.002 -12.603 3.730 1.00 0.00 H new ATOM 0 HA VAL A 57 12.240 -10.891 3.862 1.00 0.00 H new ATOM 0 HB VAL A 57 10.176 -10.475 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.155 -9.603 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.516 -11.274 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.895 -9.919 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.976 -8.066 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.801 -8.308 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.670 -8.612 3.018 1.00 0.00 H new ATOM 447 N SER A 58 10.855 -11.427 6.674 1.00 0.00 N ATOM 448 CA SER A 58 10.852 -11.076 8.092 1.00 0.00 C ATOM 449 C SER A 58 11.664 -12.059 8.935 1.00 0.00 C ATOM 450 O SER A 58 12.284 -11.668 9.924 1.00 0.00 O ATOM 451 CB SER A 58 9.416 -11.015 8.614 1.00 0.00 C ATOM 452 OG SER A 58 9.353 -10.337 9.857 1.00 0.00 O ATOM 0 H SER A 58 10.496 -12.358 6.463 1.00 0.00 H new ATOM 0 HA SER A 58 11.323 -10.097 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.783 -10.507 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.024 -12.026 8.727 1.00 0.00 H new ATOM 0 HG SER A 58 8.416 -10.169 10.091 1.00 0.00 H new ATOM 458 N SER A 59 11.645 -13.333 8.559 1.00 0.00 N ATOM 459 CA SER A 59 12.370 -14.354 9.312 1.00 0.00 C ATOM 460 C SER A 59 13.683 -14.754 8.637 1.00 0.00 C ATOM 461 O SER A 59 14.490 -15.473 9.227 1.00 0.00 O ATOM 462 CB SER A 59 11.491 -15.592 9.503 1.00 0.00 C ATOM 463 OG SER A 59 10.123 -15.285 9.298 1.00 0.00 O ATOM 0 H SER A 59 11.141 -13.683 7.745 1.00 0.00 H new ATOM 0 HA SER A 59 12.617 -13.921 10.281 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.800 -16.372 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.631 -15.989 10.508 1.00 0.00 H new ATOM 0 HG SER A 59 9.584 -16.094 9.424 1.00 0.00 H new ATOM 469 N GLN A 60 13.897 -14.302 7.405 1.00 0.00 N ATOM 470 CA GLN A 60 15.118 -14.643 6.681 1.00 0.00 C ATOM 471 C GLN A 60 15.880 -13.395 6.243 1.00 0.00 C ATOM 472 O GLN A 60 16.974 -13.119 6.737 1.00 0.00 O ATOM 473 CB GLN A 60 14.784 -15.501 5.461 1.00 0.00 C ATOM 474 CG GLN A 60 14.503 -16.957 5.799 1.00 0.00 C ATOM 475 CD GLN A 60 15.461 -17.911 5.114 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.656 -17.637 5.003 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.940 -19.041 4.649 1.00 0.00 N ATOM 0 H GLN A 60 13.249 -13.705 6.891 1.00 0.00 H new ATOM 0 HA GLN A 60 15.758 -15.207 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.914 -15.079 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.614 -15.454 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.569 -17.095 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.482 -17.203 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.944 -19.228 4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.536 -19.722 4.178 1.00 0.00 H new ATOM 486 N ALA A 61 15.300 -12.651 5.305 1.00 0.00 N ATOM 487 CA ALA A 61 15.919 -11.436 4.782 1.00 0.00 C ATOM 488 C ALA A 61 16.530 -10.584 5.895 1.00 0.00 C ATOM 489 O ALA A 61 16.050 -10.590 7.029 1.00 0.00 O ATOM 490 CB ALA A 61 14.899 -10.624 3.998 1.00 0.00 C ATOM 0 H ALA A 61 14.395 -12.871 4.889 1.00 0.00 H new ATOM 0 HA ALA A 61 16.728 -11.738 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.372 -9.720 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.522 -11.219 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.072 -10.350 4.652 1.00 0.00 H new ATOM 496 N PRO A 62 17.603 -9.837 5.579 1.00 0.00 N ATOM 497 CA PRO A 62 18.283 -8.976 6.550 1.00 0.00 C ATOM 498 C PRO A 62 17.491 -7.710 6.856 1.00 0.00 C ATOM 499 O PRO A 62 16.619 -7.310 6.085 1.00 0.00 O ATOM 500 CB PRO A 62 19.596 -8.629 5.850 1.00 0.00 C ATOM 501 CG PRO A 62 19.274 -8.694 4.397 1.00 0.00 C ATOM 502 CD PRO A 62 18.236 -9.774 4.247 1.00 0.00 C ATOM 0 HA PRO A 62 18.413 -9.468 7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.947 -7.637 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.384 -9.334 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.895 -7.737 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.164 -8.924 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.512 -9.528 3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.687 -10.728 3.972 1.00 0.00 H new ATOM 510 N GLN A 63 17.801 -7.082 7.988 1.00 0.00 N ATOM 511 CA GLN A 63 17.119 -5.857 8.401 1.00 0.00 C ATOM 512 C GLN A 63 17.015 -4.866 7.244 1.00 0.00 C ATOM 513 O GLN A 63 16.073 -4.077 7.173 1.00 0.00 O ATOM 514 CB GLN A 63 17.856 -5.210 9.575 1.00 0.00 C ATOM 515 CG GLN A 63 17.132 -4.008 10.159 1.00 0.00 C ATOM 516 CD GLN A 63 16.888 -4.140 11.650 1.00 0.00 C ATOM 517 OE1 GLN A 63 16.254 -5.092 12.105 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.392 -3.182 12.420 1.00 0.00 N ATOM 0 H GLN A 63 18.521 -7.401 8.636 1.00 0.00 H new ATOM 0 HA GLN A 63 16.110 -6.125 8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.998 -5.954 10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.848 -4.901 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.718 -3.109 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.177 -3.881 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.911 -2.411 12.000 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.260 -3.218 13.431 1.00 0.00 H new ATOM 527 N SER A 64 17.988 -4.916 6.339 1.00 0.00 N ATOM 528 CA SER A 64 18.000 -4.025 5.185 1.00 0.00 C ATOM 529 C SER A 64 16.772 -4.258 4.313 1.00 0.00 C ATOM 530 O SER A 64 16.095 -3.312 3.908 1.00 0.00 O ATOM 531 CB SER A 64 19.274 -4.236 4.364 1.00 0.00 C ATOM 532 OG SER A 64 19.663 -5.599 4.367 1.00 0.00 O ATOM 0 H SER A 64 18.776 -5.562 6.383 1.00 0.00 H new ATOM 0 HA SER A 64 17.979 -2.997 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.109 -3.904 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.079 -3.624 4.772 1.00 0.00 H new ATOM 0 HG SER A 64 20.478 -5.708 3.834 1.00 0.00 H new ATOM 538 N LEU A 65 16.486 -5.526 4.032 1.00 0.00 N ATOM 539 CA LEU A 65 15.334 -5.886 3.213 1.00 0.00 C ATOM 540 C LEU A 65 14.037 -5.485 3.905 1.00 0.00 C ATOM 541 O LEU A 65 13.046 -5.158 3.251 1.00 0.00 O ATOM 542 CB LEU A 65 15.332 -7.390 2.928 1.00 0.00 C ATOM 543 CG LEU A 65 14.629 -7.803 1.635 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.145 -7.480 1.707 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.269 -7.115 0.438 1.00 0.00 C ATOM 0 H LEU A 65 17.036 -6.320 4.359 1.00 0.00 H new ATOM 0 HA LEU A 65 15.405 -5.348 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.364 -7.738 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.854 -7.902 3.763 1.00 0.00 H new ATOM 0 HG LEU A 65 14.739 -8.880 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.662 -7.781 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.695 -8.019 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.013 -6.408 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.756 -7.420 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.190 -6.034 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.320 -7.397 0.375 1.00 0.00 H new ATOM 557 N ARG A 66 14.051 -5.511 5.234 1.00 0.00 N ATOM 558 CA ARG A 66 12.879 -5.146 6.019 1.00 0.00 C ATOM 559 C ARG A 66 12.663 -3.637 5.995 1.00 0.00 C ATOM 560 O ARG A 66 11.528 -3.161 6.030 1.00 0.00 O ATOM 561 CB ARG A 66 13.033 -5.629 7.462 1.00 0.00 C ATOM 562 CG ARG A 66 13.445 -7.088 7.575 1.00 0.00 C ATOM 563 CD ARG A 66 13.571 -7.524 9.027 1.00 0.00 C ATOM 564 NE ARG A 66 14.906 -8.033 9.332 1.00 0.00 N ATOM 565 CZ ARG A 66 15.392 -8.144 10.567 1.00 0.00 C ATOM 566 NH1 ARG A 66 14.656 -7.787 11.612 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.617 -8.615 10.756 1.00 0.00 N ATOM 0 H ARG A 66 14.863 -5.782 5.790 1.00 0.00 H new ATOM 0 HA ARG A 66 12.008 -5.629 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.776 -5.010 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.089 -5.485 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.710 -7.714 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.397 -7.238 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.347 -6.680 9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.831 -8.296 9.239 1.00 0.00 H new ATOM 0 HE ARG A 66 15.500 -8.320 8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.713 -7.425 11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.034 -7.874 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.186 -8.892 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.990 -8.700 11.701 1.00 0.00 H new ATOM 581 N ASN A 67 13.761 -2.890 5.931 1.00 0.00 N ATOM 582 CA ASN A 67 13.695 -1.433 5.898 1.00 0.00 C ATOM 583 C ASN A 67 12.844 -0.956 4.726 1.00 0.00 C ATOM 584 O ASN A 67 11.963 -0.112 4.888 1.00 0.00 O ATOM 585 CB ASN A 67 15.101 -0.839 5.800 1.00 0.00 C ATOM 586 CG ASN A 67 15.683 -0.503 7.159 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.209 0.405 7.842 1.00 0.00 O ATOM 588 ND2 ASN A 67 16.717 -1.234 7.557 1.00 0.00 N ATOM 0 H ASN A 67 14.707 -3.270 5.901 1.00 0.00 H new ATOM 0 HA ASN A 67 13.231 -1.093 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.757 -1.546 5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.070 0.063 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.151 -1.053 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.077 -1.977 6.958 1.00 0.00 H new ATOM 595 N ARG A 68 13.110 -1.507 3.546 1.00 0.00 N ATOM 596 CA ARG A 68 12.363 -1.141 2.349 1.00 0.00 C ATOM 597 C ARG A 68 10.934 -1.667 2.428 1.00 0.00 C ATOM 598 O ARG A 68 9.997 -1.025 1.953 1.00 0.00 O ATOM 599 CB ARG A 68 13.056 -1.687 1.098 1.00 0.00 C ATOM 600 CG ARG A 68 13.083 -3.206 1.029 1.00 0.00 C ATOM 601 CD ARG A 68 13.626 -3.693 -0.306 1.00 0.00 C ATOM 602 NE ARG A 68 12.840 -4.799 -0.847 1.00 0.00 N ATOM 603 CZ ARG A 68 12.866 -5.172 -2.125 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.638 -4.532 -2.994 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.119 -6.188 -2.534 1.00 0.00 N ATOM 0 H ARG A 68 13.836 -2.207 3.394 1.00 0.00 H new ATOM 0 HA ARG A 68 12.331 -0.053 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.548 -1.301 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.079 -1.312 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.699 -3.597 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.076 -3.596 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.629 -2.868 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.661 -4.011 -0.182 1.00 0.00 H new ATOM 0 HE ARG A 68 12.236 -5.316 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.215 -3.750 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.654 -4.822 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.525 -6.684 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.139 -6.474 -3.513 1.00 0.00 H new ATOM 619 N TYR A 69 10.776 -2.838 3.036 1.00 0.00 N ATOM 620 CA TYR A 69 9.462 -3.452 3.186 1.00 0.00 C ATOM 621 C TYR A 69 8.532 -2.544 3.985 1.00 0.00 C ATOM 622 O TYR A 69 7.394 -2.298 3.586 1.00 0.00 O ATOM 623 CB TYR A 69 9.590 -4.813 3.876 1.00 0.00 C ATOM 624 CG TYR A 69 8.262 -5.481 4.161 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.492 -5.099 5.252 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.781 -6.492 3.339 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.279 -5.707 5.516 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.570 -7.104 3.596 1.00 0.00 C ATOM 629 CZ TYR A 69 5.823 -6.709 4.686 1.00 0.00 C ATOM 630 OH TYR A 69 4.616 -7.317 4.945 1.00 0.00 O ATOM 0 H TYR A 69 11.543 -3.381 3.433 1.00 0.00 H new ATOM 0 HA TYR A 69 9.035 -3.597 2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.191 -5.472 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.130 -4.685 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.847 -4.315 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.364 -6.805 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.691 -5.399 6.368 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.210 -7.888 2.947 1.00 0.00 H new ATOM 0 HH TYR A 69 4.017 -6.680 5.388 1.00 0.00 H new ATOM 640 N ASN A 70 9.027 -2.048 5.115 1.00 0.00 N ATOM 641 CA ASN A 70 8.243 -1.165 5.970 1.00 0.00 C ATOM 642 C ASN A 70 8.153 0.232 5.367 1.00 0.00 C ATOM 643 O ASN A 70 7.155 0.932 5.543 1.00 0.00 O ATOM 644 CB ASN A 70 8.861 -1.092 7.368 1.00 0.00 C ATOM 645 CG ASN A 70 8.268 -2.115 8.316 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.196 -1.905 8.885 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.964 -3.232 8.493 1.00 0.00 N ATOM 0 H ASN A 70 9.967 -2.243 5.459 1.00 0.00 H new ATOM 0 HA ASN A 70 7.236 -1.574 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.937 -1.249 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.712 -0.093 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.615 -3.957 9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.848 -3.365 8.002 1.00 0.00 H new ATOM 654 N ASN A 71 9.201 0.631 4.653 1.00 0.00 N ATOM 655 CA ASN A 71 9.240 1.945 4.021 1.00 0.00 C ATOM 656 C ASN A 71 8.085 2.107 3.038 1.00 0.00 C ATOM 657 O ASN A 71 7.264 3.015 3.172 1.00 0.00 O ATOM 658 CB ASN A 71 10.575 2.148 3.301 1.00 0.00 C ATOM 659 CG ASN A 71 11.488 3.107 4.039 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.255 3.434 5.202 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.537 3.564 3.363 1.00 0.00 N ATOM 0 H ASN A 71 10.034 0.063 4.498 1.00 0.00 H new ATOM 0 HA ASN A 71 9.139 2.701 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.075 1.186 3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.389 2.528 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.187 4.212 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.692 3.266 2.400 1.00 0.00 H new ATOM 668 N LEU A 72 8.026 1.218 2.051 1.00 0.00 N ATOM 669 CA LEU A 72 6.969 1.262 1.047 1.00 0.00 C ATOM 670 C LEU A 72 5.596 1.150 1.702 1.00 0.00 C ATOM 671 O LEU A 72 4.642 1.809 1.287 1.00 0.00 O ATOM 672 CB LEU A 72 7.155 0.136 0.027 1.00 0.00 C ATOM 673 CG LEU A 72 7.049 -1.281 0.596 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.590 -1.698 0.728 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.812 -2.264 -0.281 1.00 0.00 C ATOM 0 H LEU A 72 8.697 0.460 1.925 1.00 0.00 H new ATOM 0 HA LEU A 72 7.031 2.220 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.408 0.252 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.132 0.250 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 72 7.496 -1.288 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.536 -2.708 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.074 -1.010 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.115 -1.675 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.727 -3.267 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.394 -2.254 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.862 -1.976 -0.322 1.00 0.00 H new ATOM 687 N TYR A 73 5.503 0.314 2.732 1.00 0.00 N ATOM 688 CA TYR A 73 4.245 0.123 3.443 1.00 0.00 C ATOM 689 C TYR A 73 3.908 1.347 4.286 1.00 0.00 C ATOM 690 O TYR A 73 2.737 1.653 4.510 1.00 0.00 O ATOM 691 CB TYR A 73 4.312 -1.122 4.330 1.00 0.00 C ATOM 692 CG TYR A 73 2.953 -1.626 4.766 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.875 -1.625 3.888 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.748 -2.101 6.055 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.633 -2.082 4.282 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.508 -2.561 6.457 1.00 0.00 C ATOM 697 CZ TYR A 73 0.454 -2.549 5.567 1.00 0.00 C ATOM 698 OH TYR A 73 -0.782 -3.006 5.964 1.00 0.00 O ATOM 0 H TYR A 73 6.281 -0.240 3.091 1.00 0.00 H new ATOM 0 HA TYR A 73 3.458 -0.015 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.829 -1.915 3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.908 -0.897 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.011 -1.261 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.571 -2.111 6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.194 -2.074 3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.365 -2.928 7.463 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.738 -3.300 6.898 1.00 0.00 H new ATOM 708 N SER A 74 4.939 2.051 4.745 1.00 0.00 N ATOM 709 CA SER A 74 4.742 3.248 5.555 1.00 0.00 C ATOM 710 C SER A 74 3.865 4.249 4.812 1.00 0.00 C ATOM 711 O SER A 74 3.002 4.898 5.404 1.00 0.00 O ATOM 712 CB SER A 74 6.089 3.885 5.904 1.00 0.00 C ATOM 713 OG SER A 74 6.074 4.422 7.215 1.00 0.00 O ATOM 0 H SER A 74 5.916 1.814 4.570 1.00 0.00 H new ATOM 0 HA SER A 74 4.242 2.961 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.880 3.139 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.319 4.673 5.187 1.00 0.00 H new ATOM 0 HG SER A 74 6.946 4.822 7.415 1.00 0.00 H new ATOM 719 N HIS A 75 4.087 4.358 3.506 1.00 0.00 N ATOM 720 CA HIS A 75 3.312 5.266 2.671 1.00 0.00 C ATOM 721 C HIS A 75 1.942 4.671 2.358 1.00 0.00 C ATOM 722 O HIS A 75 0.988 5.396 2.079 1.00 0.00 O ATOM 723 CB HIS A 75 4.061 5.566 1.371 1.00 0.00 C ATOM 724 CG HIS A 75 5.284 6.407 1.565 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.436 6.245 0.823 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.532 7.426 2.422 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.339 7.125 1.217 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.815 7.854 2.185 1.00 0.00 N ATOM 0 H HIS A 75 4.799 3.828 3.003 1.00 0.00 H new ATOM 0 HA HIS A 75 3.171 6.197 3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.348 4.625 0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.386 6.074 0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.848 7.827 3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.336 7.230 0.816 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.287 8.613 2.677 1.00 0.00 H new ATOM 737 N THR A 76 1.852 3.344 2.409 1.00 0.00 N ATOM 738 CA THR A 76 0.599 2.653 2.135 1.00 0.00 C ATOM 739 C THR A 76 -0.350 2.755 3.326 1.00 0.00 C ATOM 740 O THR A 76 -1.555 2.938 3.160 1.00 0.00 O ATOM 741 CB THR A 76 0.862 1.183 1.810 1.00 0.00 C ATOM 742 OG1 THR A 76 1.821 1.061 0.776 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.382 0.439 1.376 1.00 0.00 C ATOM 0 H THR A 76 2.632 2.728 2.638 1.00 0.00 H new ATOM 0 HA THR A 76 0.132 3.132 1.275 1.00 0.00 H new ATOM 0 HB THR A 76 1.227 0.741 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.700 1.334 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.128 -0.599 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.123 0.473 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.792 0.906 0.481 1.00 0.00 H new ATOM 751 N GLN A 77 0.204 2.632 4.526 1.00 0.00 N ATOM 752 CA GLN A 77 -0.592 2.707 5.746 1.00 0.00 C ATOM 753 C GLN A 77 -1.090 4.129 5.993 1.00 0.00 C ATOM 754 O GLN A 77 -2.105 4.333 6.658 1.00 0.00 O ATOM 755 CB GLN A 77 0.230 2.228 6.944 1.00 0.00 C ATOM 756 CG GLN A 77 0.639 0.768 6.856 1.00 0.00 C ATOM 757 CD GLN A 77 1.536 0.344 8.002 1.00 0.00 C ATOM 758 OE1 GLN A 77 1.113 -0.383 8.901 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.784 0.798 7.976 1.00 0.00 N ATOM 0 H GLN A 77 1.201 2.480 4.681 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.459 2.058 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.126 2.843 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.348 2.380 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.255 0.144 6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.156 0.596 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.092 1.398 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.434 0.546 8.721 1.00 0.00 H new ATOM 768 N ARG A 78 -0.368 5.112 5.460 1.00 0.00 N ATOM 769 CA ARG A 78 -0.742 6.511 5.633 1.00 0.00 C ATOM 770 C ARG A 78 -1.604 7.004 4.473 1.00 0.00 C ATOM 771 O ARG A 78 -2.557 7.757 4.674 1.00 0.00 O ATOM 772 CB ARG A 78 0.508 7.385 5.764 1.00 0.00 C ATOM 773 CG ARG A 78 1.406 7.354 4.538 1.00 0.00 C ATOM 774 CD ARG A 78 1.124 8.525 3.610 1.00 0.00 C ATOM 775 NE ARG A 78 2.352 9.099 3.065 1.00 0.00 N ATOM 776 CZ ARG A 78 3.253 9.752 3.796 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.066 9.918 5.099 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.343 10.241 3.221 1.00 0.00 N ATOM 0 H ARG A 78 0.476 4.965 4.907 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.329 6.587 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.203 8.414 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.081 7.057 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.450 7.379 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.256 6.418 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.484 8.194 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.574 9.294 4.153 1.00 0.00 H new ATOM 0 HE ARG A 78 2.529 8.993 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.229 9.544 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.760 10.419 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.491 10.117 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.034 10.741 3.780 1.00 0.00 H new ATOM 792 N THR A 79 -1.266 6.579 3.259 1.00 0.00 N ATOM 793 CA THR A 79 -2.014 6.986 2.074 1.00 0.00 C ATOM 794 C THR A 79 -3.467 6.529 2.163 1.00 0.00 C ATOM 795 O THR A 79 -4.380 7.248 1.754 1.00 0.00 O ATOM 796 CB THR A 79 -1.363 6.420 0.809 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.954 6.976 -0.351 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.468 4.916 0.701 1.00 0.00 C ATOM 0 H THR A 79 -0.482 5.955 3.070 1.00 0.00 H new ATOM 0 HA THR A 79 -1.997 8.075 2.023 1.00 0.00 H new ATOM 0 HB THR A 79 -0.309 6.689 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.745 6.453 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.986 4.583 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.975 4.454 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.518 4.625 0.687 1.00 0.00 H new ATOM 806 N LEU A 80 -3.676 5.331 2.700 1.00 0.00 N ATOM 807 CA LEU A 80 -5.020 4.782 2.841 1.00 0.00 C ATOM 808 C LEU A 80 -5.886 5.687 3.712 1.00 0.00 C ATOM 809 O LEU A 80 -7.088 5.822 3.481 1.00 0.00 O ATOM 810 CB LEU A 80 -4.964 3.377 3.445 1.00 0.00 C ATOM 811 CG LEU A 80 -4.344 2.305 2.546 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.917 1.100 3.369 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.324 1.892 1.462 1.00 0.00 C ATOM 0 H LEU A 80 -2.933 4.723 3.044 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.466 4.723 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.397 3.421 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.977 3.070 3.704 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.458 2.724 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.478 0.348 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.180 1.409 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.786 0.678 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.868 1.129 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.227 1.491 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.581 2.760 0.854 1.00 0.00 H new ATOM 825 N ASP A 81 -5.268 6.305 4.713 1.00 0.00 N ATOM 826 CA ASP A 81 -5.982 7.198 5.619 1.00 0.00 C ATOM 827 C ASP A 81 -6.555 8.392 4.862 1.00 0.00 C ATOM 828 O ASP A 81 -7.734 8.717 4.997 1.00 0.00 O ATOM 829 CB ASP A 81 -5.050 7.681 6.732 1.00 0.00 C ATOM 830 CG ASP A 81 -5.151 6.828 7.981 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.033 7.105 8.820 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.347 5.881 8.119 1.00 0.00 O ATOM 0 H ASP A 81 -4.274 6.204 4.918 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.808 6.643 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.022 7.671 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.291 8.715 6.981 1.00 0.00 H new ATOM 837 N MET A 82 -5.713 9.040 4.063 1.00 0.00 N ATOM 838 CA MET A 82 -6.135 10.197 3.280 1.00 0.00 C ATOM 839 C MET A 82 -7.339 9.856 2.406 1.00 0.00 C ATOM 840 O MET A 82 -8.111 10.735 2.025 1.00 0.00 O ATOM 841 CB MET A 82 -4.981 10.696 2.408 1.00 0.00 C ATOM 842 CG MET A 82 -3.859 11.349 3.199 1.00 0.00 C ATOM 843 SD MET A 82 -2.679 12.215 2.146 1.00 0.00 S ATOM 844 CE MET A 82 -1.845 10.836 1.365 1.00 0.00 C ATOM 0 H MET A 82 -4.733 8.783 3.940 1.00 0.00 H new ATOM 0 HA MET A 82 -6.426 10.986 3.973 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.575 9.857 1.842 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.368 11.412 1.683 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.286 12.052 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.335 10.587 3.775 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.120 11.211 0.643 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.330 10.246 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.577 10.211 0.853 1.00 0.00 H new ATOM 854 N ALA A 83 -7.495 8.573 2.095 1.00 0.00 N ATOM 855 CA ALA A 83 -8.605 8.117 1.270 1.00 0.00 C ATOM 856 C ALA A 83 -9.897 8.058 2.077 1.00 0.00 C ATOM 857 O ALA A 83 -10.940 8.535 1.630 1.00 0.00 O ATOM 858 CB ALA A 83 -8.290 6.755 0.671 1.00 0.00 C ATOM 0 H ALA A 83 -6.866 7.832 2.403 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.745 8.833 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.128 6.425 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.394 6.827 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.122 6.035 1.472 1.00 0.00 H new ATOM 864 N ASP A 84 -9.821 7.472 3.269 1.00 0.00 N ATOM 865 CA ASP A 84 -10.986 7.349 4.141 1.00 0.00 C ATOM 866 C ASP A 84 -11.182 8.610 4.982 1.00 0.00 C ATOM 867 O ASP A 84 -11.383 8.535 6.194 1.00 0.00 O ATOM 868 CB ASP A 84 -10.834 6.129 5.054 1.00 0.00 C ATOM 869 CG ASP A 84 -12.116 5.327 5.164 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.662 4.933 4.112 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.574 5.092 6.302 1.00 0.00 O ATOM 0 H ASP A 84 -8.964 7.074 3.654 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.867 7.220 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.040 5.489 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.528 6.458 6.047 1.00 0.00 H new ATOM 876 N MET A 85 -11.123 9.767 4.329 1.00 0.00 N ATOM 877 CA MET A 85 -11.296 11.042 5.014 1.00 0.00 C ATOM 878 C MET A 85 -12.314 11.915 4.288 1.00 0.00 C ATOM 879 O MET A 85 -13.217 12.482 4.904 1.00 0.00 O ATOM 880 CB MET A 85 -9.956 11.774 5.110 1.00 0.00 C ATOM 881 CG MET A 85 -9.830 12.649 6.345 1.00 0.00 C ATOM 882 SD MET A 85 -8.841 11.881 7.643 1.00 0.00 S ATOM 883 CE MET A 85 -9.974 11.965 9.028 1.00 0.00 C ATOM 0 H MET A 85 -10.957 9.847 3.326 1.00 0.00 H new ATOM 0 HA MET A 85 -11.668 10.842 6.019 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.150 11.041 5.110 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.824 12.392 4.222 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.380 13.602 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.825 12.868 6.733 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.505 11.527 9.909 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.225 13.006 9.230 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.883 11.413 8.789 1.00 0.00 H new ATOM 893 N GLN A 86 -12.151 12.023 2.974 1.00 0.00 N ATOM 894 CA GLN A 86 -13.041 12.832 2.145 1.00 0.00 C ATOM 895 C GLN A 86 -14.511 12.481 2.375 1.00 0.00 C ATOM 896 O GLN A 86 -15.385 13.339 2.254 1.00 0.00 O ATOM 897 CB GLN A 86 -12.691 12.651 0.667 1.00 0.00 C ATOM 898 CG GLN A 86 -13.093 13.831 -0.202 1.00 0.00 C ATOM 899 CD GLN A 86 -12.202 15.040 0.008 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.995 14.983 -0.225 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.794 16.142 0.453 1.00 0.00 N ATOM 0 H GLN A 86 -11.406 11.557 2.456 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.898 13.874 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.617 12.491 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.181 11.752 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.056 13.535 -1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.126 14.103 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.798 16.144 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.245 16.986 0.615 1.00 0.00 H new ATOM 910 N HIS A 87 -14.782 11.220 2.701 1.00 0.00 N ATOM 911 CA HIS A 87 -16.154 10.773 2.939 1.00 0.00 C ATOM 912 C HIS A 87 -16.720 11.402 4.207 1.00 0.00 C ATOM 913 O HIS A 87 -16.902 10.728 5.219 1.00 0.00 O ATOM 914 CB HIS A 87 -16.226 9.247 3.047 1.00 0.00 C ATOM 915 CG HIS A 87 -15.261 8.523 2.163 1.00 0.00 C ATOM 916 ND1 HIS A 87 -15.326 8.205 0.847 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -14.060 8.022 2.617 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -14.174 7.526 0.537 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.428 7.429 1.621 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.075 10.492 2.806 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.753 11.094 2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.041 8.958 4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.238 8.924 2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.693 8.102 3.630 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.919 7.134 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.517 6.973 1.680 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.589 16.818 0.037 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.064 16.903 -1.339 1.00 0.00 C ATOM 1112 C LEU A 101 -6.034 15.764 -1.648 1.00 0.00 C ATOM 1113 O LEU A 101 -5.977 14.705 -1.023 1.00 0.00 O ATOM 1114 CB LEU A 101 -3.886 16.866 -2.314 1.00 0.00 C ATOM 1115 CG LEU A 101 -2.650 17.648 -1.866 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -1.567 17.593 -2.932 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -3.019 19.089 -1.550 1.00 0.00 C ATOM 0 HA LEU A 101 -5.591 17.850 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.601 15.827 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.217 17.259 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.260 17.186 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.696 18.155 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.283 16.556 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.944 18.029 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.128 19.631 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.434 19.562 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.759 19.108 -0.750 1.00 0.00 H new ATOM 1129 N PRO A 102 -6.941 15.969 -2.617 1.00 0.00 N ATOM 1130 CA PRO A 102 -7.927 14.953 -3.003 1.00 0.00 C ATOM 1131 C PRO A 102 -7.283 13.716 -3.618 1.00 0.00 C ATOM 1132 O PRO A 102 -7.612 12.587 -3.253 1.00 0.00 O ATOM 1133 CB PRO A 102 -8.798 15.670 -4.041 1.00 0.00 C ATOM 1134 CG PRO A 102 -7.946 16.775 -4.561 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.079 17.203 -3.411 1.00 0.00 C ATOM 0 HA PRO A 102 -8.482 14.585 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.097 14.993 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.713 16.055 -3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.340 16.438 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.557 17.604 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.112 17.573 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.542 18.004 -2.834 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.369 13.934 -4.557 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.686 12.833 -5.227 1.00 0.00 C ATOM 1145 C HIS A 103 -4.476 12.348 -4.424 1.00 0.00 C ATOM 1146 O HIS A 103 -3.871 11.329 -4.757 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.256 13.251 -6.637 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.077 14.176 -6.665 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.712 14.966 -5.596 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.176 14.431 -7.644 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.639 15.669 -5.915 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.294 15.362 -7.152 1.00 0.00 N ATOM 0 H HIS A 103 -6.084 14.862 -4.871 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.389 12.004 -5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.017 12.357 -7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.097 13.735 -7.134 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.155 13.985 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.131 16.374 -5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.501 15.753 -7.660 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.121 13.081 -3.370 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.981 12.717 -2.532 1.00 0.00 C ATOM 1163 C GLU A 104 -3.017 11.236 -2.156 1.00 0.00 C ATOM 1164 O GLU A 104 -1.979 10.578 -2.086 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.961 13.572 -1.262 1.00 0.00 C ATOM 1166 CG GLU A 104 -1.685 14.381 -1.096 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.336 14.628 0.358 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -2.046 15.422 1.012 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.354 14.029 0.844 1.00 0.00 O ATOM 0 H GLU A 104 -4.606 13.929 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.074 12.902 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.813 14.251 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.086 12.924 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.861 13.856 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.797 15.338 -1.606 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.217 10.722 -1.908 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.383 9.322 -1.530 1.00 0.00 C ATOM 1178 C ASN A 105 -4.310 8.403 -2.747 1.00 0.00 C ATOM 1179 O ASN A 105 -3.463 7.511 -2.810 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.713 9.114 -0.795 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.868 9.848 -1.448 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.328 9.471 -2.526 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.343 10.904 -0.798 1.00 0.00 N ATOM 0 H ASN A 105 -5.087 11.252 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.563 9.064 -0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.940 8.048 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.610 9.453 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.119 11.437 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.932 11.182 0.093 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.202 8.617 -3.711 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.236 7.798 -4.919 1.00 0.00 C ATOM 1192 C VAL A 106 -3.869 7.740 -5.596 1.00 0.00 C ATOM 1193 O VAL A 106 -3.408 6.669 -5.991 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.280 8.321 -5.925 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.666 8.331 -5.300 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.904 9.708 -6.421 1.00 0.00 C ATOM 0 H VAL A 106 -5.910 9.350 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.517 6.793 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.295 7.648 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.390 8.703 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.938 7.318 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.665 8.979 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.655 10.057 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.855 10.395 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.932 9.667 -6.913 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.225 8.895 -5.727 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.911 8.968 -6.356 1.00 0.00 C ATOM 1208 C ASP A 107 -0.895 8.135 -5.583 1.00 0.00 C ATOM 1209 O ASP A 107 -0.268 7.230 -6.135 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.441 10.421 -6.438 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.987 11.138 -7.657 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -3.208 11.045 -7.903 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -1.194 11.793 -8.365 1.00 0.00 O ATOM 0 H ASP A 107 -3.591 9.792 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.994 8.565 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.752 10.952 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.352 10.447 -6.463 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.740 8.443 -4.300 1.00 0.00 N ATOM 1219 CA ASP A 108 0.197 7.720 -3.450 1.00 0.00 C ATOM 1220 C ASP A 108 -0.205 6.253 -3.319 1.00 0.00 C ATOM 1221 O ASP A 108 0.622 5.402 -2.990 1.00 0.00 O ATOM 1222 CB ASP A 108 0.269 8.367 -2.066 1.00 0.00 C ATOM 1223 CG ASP A 108 1.266 9.508 -2.013 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.437 9.292 -2.389 1.00 0.00 O ATOM 1225 OD2 ASP A 108 0.876 10.618 -1.594 1.00 0.00 O ATOM 0 H ASP A 108 -1.251 9.188 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 108 1.181 7.768 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.718 8.737 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.545 7.613 -1.329 1.00 0.00 H new ATOM 1230 N MET A 109 -1.477 5.962 -3.577 1.00 0.00 N ATOM 1231 CA MET A 109 -1.979 4.597 -3.486 1.00 0.00 C ATOM 1232 C MET A 109 -1.314 3.704 -4.527 1.00 0.00 C ATOM 1233 O MET A 109 -0.615 2.750 -4.185 1.00 0.00 O ATOM 1234 CB MET A 109 -3.497 4.577 -3.669 1.00 0.00 C ATOM 1235 CG MET A 109 -4.242 4.053 -2.455 1.00 0.00 C ATOM 1236 SD MET A 109 -4.547 5.331 -1.224 1.00 0.00 S ATOM 1237 CE MET A 109 -6.284 5.058 -0.905 1.00 0.00 C ATOM 0 H MET A 109 -2.176 6.652 -3.850 1.00 0.00 H new ATOM 0 HA MET A 109 -1.736 4.210 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.842 5.587 -3.890 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.744 3.959 -4.532 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.193 3.626 -2.773 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.667 3.246 -2.001 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.855 5.928 -1.230 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.621 4.178 -1.453 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.438 4.901 0.163 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.532 4.023 -5.799 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.948 3.251 -6.889 1.00 0.00 C ATOM 1249 C ARG A 110 0.562 3.121 -6.710 1.00 0.00 C ATOM 1250 O ARG A 110 1.174 2.167 -7.191 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.261 3.908 -8.235 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.657 5.295 -8.388 1.00 0.00 C ATOM 1253 CD ARG A 110 0.173 5.408 -9.658 1.00 0.00 C ATOM 1254 NE ARG A 110 0.121 6.753 -10.227 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.897 7.213 -10.951 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -1.947 6.440 -11.197 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -0.864 8.449 -11.430 1.00 0.00 N ATOM 0 H ARG A 110 -2.108 4.809 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.387 2.253 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.891 3.269 -9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.342 3.976 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.453 6.039 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.032 5.518 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.208 5.147 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.189 4.689 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 110 0.911 7.376 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.977 5.488 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.724 6.797 -11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.059 9.047 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.644 8.802 -11.985 1.00 0.00 H new ATOM 1271 N SER A 111 1.154 4.083 -6.008 1.00 0.00 N ATOM 1272 CA SER A 111 2.589 4.072 -5.759 1.00 0.00 C ATOM 1273 C SER A 111 2.966 2.906 -4.851 1.00 0.00 C ATOM 1274 O SER A 111 4.011 2.280 -5.028 1.00 0.00 O ATOM 1275 CB SER A 111 3.030 5.392 -5.123 1.00 0.00 C ATOM 1276 OG SER A 111 3.449 6.318 -6.109 1.00 0.00 O ATOM 0 H SER A 111 0.661 4.879 -5.602 1.00 0.00 H new ATOM 0 HA SER A 111 3.100 3.952 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.206 5.816 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.845 5.208 -4.423 1.00 0.00 H new ATOM 0 HG SER A 111 3.724 7.154 -5.677 1.00 0.00 H new ATOM 1282 N ALA A 112 2.103 2.617 -3.882 1.00 0.00 N ATOM 1283 CA ALA A 112 2.342 1.523 -2.949 1.00 0.00 C ATOM 1284 C ALA A 112 2.396 0.188 -3.681 1.00 0.00 C ATOM 1285 O ALA A 112 3.261 -0.646 -3.411 1.00 0.00 O ATOM 1286 CB ALA A 112 1.263 1.496 -1.875 1.00 0.00 C ATOM 0 H ALA A 112 1.233 3.125 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 112 3.307 1.688 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.456 0.673 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.272 2.438 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.288 1.357 -2.342 1.00 0.00 H new ATOM 1292 N ILE A 113 1.469 -0.008 -4.614 1.00 0.00 N ATOM 1293 CA ILE A 113 1.416 -1.242 -5.387 1.00 0.00 C ATOM 1294 C ILE A 113 2.675 -1.403 -6.236 1.00 0.00 C ATOM 1295 O ILE A 113 3.112 -2.519 -6.510 1.00 0.00 O ATOM 1296 CB ILE A 113 0.155 -1.293 -6.285 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.444 -2.701 -6.277 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.467 -0.854 -7.711 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.609 -2.855 -5.324 1.00 0.00 C ATOM 0 H ILE A 113 0.746 0.671 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 113 1.361 -2.070 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.576 -0.595 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.773 -2.953 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.333 -3.416 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.440 -0.902 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.843 0.169 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.221 -1.515 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.984 -3.877 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.280 -2.635 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.403 -2.164 -5.606 1.00 0.00 H new ATOM 1311 N THR A 114 3.255 -0.279 -6.646 1.00 0.00 N ATOM 1312 CA THR A 114 4.467 -0.300 -7.456 1.00 0.00 C ATOM 1313 C THR A 114 5.594 -0.999 -6.704 1.00 0.00 C ATOM 1314 O THR A 114 6.417 -1.694 -7.300 1.00 0.00 O ATOM 1315 CB THR A 114 4.885 1.125 -7.824 1.00 0.00 C ATOM 1316 OG1 THR A 114 3.857 1.777 -8.549 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.144 1.182 -8.662 1.00 0.00 C ATOM 0 H THR A 114 2.906 0.655 -6.431 1.00 0.00 H new ATOM 0 HA THR A 114 4.262 -0.853 -8.373 1.00 0.00 H new ATOM 0 HB THR A 114 5.077 1.624 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.066 1.876 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.384 2.221 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.969 0.730 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.987 0.636 -9.592 1.00 0.00 H new ATOM 1325 N ASP A 115 5.617 -0.812 -5.389 1.00 0.00 N ATOM 1326 CA ASP A 115 6.633 -1.428 -4.545 1.00 0.00 C ATOM 1327 C ASP A 115 6.200 -2.828 -4.121 1.00 0.00 C ATOM 1328 O ASP A 115 7.001 -3.762 -4.118 1.00 0.00 O ATOM 1329 CB ASP A 115 6.891 -0.565 -3.308 1.00 0.00 C ATOM 1330 CG ASP A 115 8.360 -0.514 -2.936 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.039 -1.556 -3.053 1.00 0.00 O ATOM 1332 OD2 ASP A 115 8.831 0.568 -2.527 1.00 0.00 O ATOM 0 H ASP A 115 4.942 -0.238 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 115 7.555 -1.506 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.530 0.447 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.319 -0.959 -2.468 1.00 0.00 H new ATOM 1337 N TRP A 116 4.925 -2.965 -3.769 1.00 0.00 N ATOM 1338 CA TRP A 116 4.383 -4.252 -3.349 1.00 0.00 C ATOM 1339 C TRP A 116 4.385 -5.237 -4.511 1.00 0.00 C ATOM 1340 O TRP A 116 4.880 -6.358 -4.388 1.00 0.00 O ATOM 1341 CB TRP A 116 2.963 -4.082 -2.808 1.00 0.00 C ATOM 1342 CG TRP A 116 2.925 -3.718 -1.356 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.860 -2.461 -0.827 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.952 -4.621 -0.245 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.845 -2.527 0.544 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.900 -3.842 0.927 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.013 -6.012 -0.126 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.909 -4.409 2.199 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.022 -6.573 1.137 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.969 -5.773 2.285 1.00 0.00 C ATOM 0 H TRP A 116 4.249 -2.201 -3.766 1.00 0.00 H new ATOM 0 HA TRP A 116 5.016 -4.648 -2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.452 -3.310 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.410 -5.009 -2.958 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.825 -1.548 -1.403 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.800 -1.727 1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.052 -6.638 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.870 -3.794 3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.071 -7.647 1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.976 -6.242 3.258 1.00 0.00 H new ATOM 1361 N SER A 117 3.837 -4.807 -5.644 1.00 0.00 N ATOM 1362 CA SER A 117 3.784 -5.648 -6.834 1.00 0.00 C ATOM 1363 C SER A 117 5.186 -6.103 -7.225 1.00 0.00 C ATOM 1364 O SER A 117 5.431 -7.292 -7.443 1.00 0.00 O ATOM 1365 CB SER A 117 3.138 -4.890 -7.995 1.00 0.00 C ATOM 1366 OG SER A 117 2.967 -5.732 -9.122 1.00 0.00 O ATOM 0 H SER A 117 3.424 -3.882 -5.762 1.00 0.00 H new ATOM 0 HA SER A 117 3.179 -6.526 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.171 -4.495 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.759 -4.036 -8.266 1.00 0.00 H new ATOM 0 HG SER A 117 2.551 -5.224 -9.850 1.00 0.00 H new ATOM 1372 N ASP A 118 6.108 -5.148 -7.298 1.00 0.00 N ATOM 1373 CA ASP A 118 7.491 -5.444 -7.648 1.00 0.00 C ATOM 1374 C ASP A 118 8.095 -6.417 -6.643 1.00 0.00 C ATOM 1375 O ASP A 118 8.931 -7.250 -6.993 1.00 0.00 O ATOM 1376 CB ASP A 118 8.316 -4.157 -7.691 1.00 0.00 C ATOM 1377 CG ASP A 118 9.680 -4.365 -8.320 1.00 0.00 C ATOM 1378 OD1 ASP A 118 9.760 -4.392 -9.567 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.667 -4.501 -7.567 1.00 0.00 O ATOM 0 H ASP A 118 5.921 -4.161 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 118 7.506 -5.904 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.772 -3.398 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.441 -3.775 -6.678 1.00 0.00 H new ATOM 1384 N MET A 119 7.660 -6.305 -5.391 1.00 0.00 N ATOM 1385 CA MET A 119 8.151 -7.177 -4.332 1.00 0.00 C ATOM 1386 C MET A 119 7.653 -8.602 -4.537 1.00 0.00 C ATOM 1387 O MET A 119 8.361 -9.564 -4.251 1.00 0.00 O ATOM 1388 CB MET A 119 7.704 -6.659 -2.964 1.00 0.00 C ATOM 1389 CG MET A 119 8.521 -7.215 -1.808 1.00 0.00 C ATOM 1390 SD MET A 119 8.204 -6.355 -0.256 1.00 0.00 S ATOM 1391 CE MET A 119 9.877 -6.049 0.308 1.00 0.00 C ATOM 0 H MET A 119 6.969 -5.619 -5.087 1.00 0.00 H new ATOM 0 HA MET A 119 9.240 -7.179 -4.370 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.772 -5.571 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.655 -6.914 -2.813 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.295 -8.274 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.581 -7.142 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.998 -6.441 1.318 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.582 -6.544 -0.360 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.070 -4.976 0.309 1.00 0.00 H new ATOM 1401 N ARG A 120 6.430 -8.732 -5.042 1.00 0.00 N ATOM 1402 CA ARG A 120 5.847 -10.045 -5.290 1.00 0.00 C ATOM 1403 C ARG A 120 6.768 -10.883 -6.171 1.00 0.00 C ATOM 1404 O ARG A 120 7.001 -12.061 -5.901 1.00 0.00 O ATOM 1405 CB ARG A 120 4.475 -9.903 -5.954 1.00 0.00 C ATOM 1406 CG ARG A 120 3.412 -9.324 -5.034 1.00 0.00 C ATOM 1407 CD ARG A 120 2.165 -10.194 -5.000 1.00 0.00 C ATOM 1408 NE ARG A 120 1.292 -9.945 -6.145 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.053 -10.421 -6.249 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.461 -11.170 -5.282 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.673 -10.146 -7.324 1.00 0.00 N ATOM 0 H ARG A 120 5.826 -7.947 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 120 5.725 -10.551 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.570 -9.265 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.147 -10.882 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.816 -9.227 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.147 -8.321 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.456 -11.244 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.616 -10.005 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 120 1.653 -9.373 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.094 -11.384 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.411 -11.532 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.282 -9.570 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.622 -10.510 -7.405 1.00 0.00 H new ATOM 1425 N GLU A 121 7.293 -10.262 -7.222 1.00 0.00 N ATOM 1426 CA GLU A 121 8.194 -10.946 -8.143 1.00 0.00 C ATOM 1427 C GLU A 121 9.618 -10.973 -7.593 1.00 0.00 C ATOM 1428 O GLU A 121 10.334 -11.962 -7.747 1.00 0.00 O ATOM 1429 CB GLU A 121 8.175 -10.261 -9.511 1.00 0.00 C ATOM 1430 CG GLU A 121 7.226 -10.913 -10.504 1.00 0.00 C ATOM 1431 CD GLU A 121 7.864 -12.072 -11.244 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.834 -11.836 -11.993 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.393 -13.217 -11.073 1.00 0.00 O ATOM 0 H GLU A 121 7.110 -9.286 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 121 7.848 -11.974 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.891 -9.217 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.183 -10.268 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.340 -11.267 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.891 -10.167 -11.224 1.00 0.00 H new ATOM 1440 N ALA A 122 10.023 -9.879 -6.955 1.00 0.00 N ATOM 1441 CA ALA A 122 11.362 -9.777 -6.384 1.00 0.00 C ATOM 1442 C ALA A 122 11.526 -10.709 -5.188 1.00 0.00 C ATOM 1443 O ALA A 122 12.378 -11.597 -5.192 1.00 0.00 O ATOM 1444 CB ALA A 122 11.653 -8.340 -5.977 1.00 0.00 C ATOM 0 H ALA A 122 9.443 -9.051 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 122 12.078 -10.082 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.655 -8.278 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.589 -7.694 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.924 -8.017 -5.234 1.00 0.00 H new ATOM 1450 N LEU A 123 10.703 -10.499 -4.165 1.00 0.00 N ATOM 1451 CA LEU A 123 10.752 -11.317 -2.957 1.00 0.00 C ATOM 1452 C LEU A 123 10.663 -12.803 -3.296 1.00 0.00 C ATOM 1453 O LEU A 123 11.348 -13.629 -2.692 1.00 0.00 O ATOM 1454 CB LEU A 123 9.615 -10.927 -2.009 1.00 0.00 C ATOM 1455 CG LEU A 123 9.991 -10.881 -0.527 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.998 -9.772 -0.267 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.747 -10.691 0.332 1.00 0.00 C ATOM 0 H LEU A 123 9.992 -9.767 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 123 11.707 -11.136 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.238 -9.947 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.796 -11.635 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 123 10.452 -11.831 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.254 -9.754 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.898 -9.953 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.565 -8.813 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.032 -10.660 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.257 -9.755 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.060 -11.521 0.166 1.00 0.00 H new ATOM 1469 N GLN A 124 9.817 -13.137 -4.266 1.00 0.00 N ATOM 1470 CA GLN A 124 9.644 -14.524 -4.683 1.00 0.00 C ATOM 1471 C GLN A 124 10.966 -15.118 -5.160 1.00 0.00 C ATOM 1472 O GLN A 124 11.316 -16.244 -4.807 1.00 0.00 O ATOM 1473 CB GLN A 124 8.598 -14.618 -5.797 1.00 0.00 C ATOM 1474 CG GLN A 124 7.221 -15.034 -5.306 1.00 0.00 C ATOM 1475 CD GLN A 124 6.529 -15.992 -6.256 1.00 0.00 C ATOM 1476 OE1 GLN A 124 7.180 -16.721 -7.004 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.202 -15.994 -6.231 1.00 0.00 N ATOM 0 H GLN A 124 9.242 -12.467 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 124 9.299 -15.095 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.520 -13.651 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.939 -15.334 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.315 -15.503 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.602 -14.146 -5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.703 -15.373 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.681 -16.617 -6.848 1.00 0.00 H new ATOM 1486 N HIS A 125 11.697 -14.352 -5.963 1.00 0.00 N ATOM 1487 CA HIS A 125 12.981 -14.801 -6.488 1.00 0.00 C ATOM 1488 C HIS A 125 14.011 -14.929 -5.371 1.00 0.00 C ATOM 1489 O HIS A 125 14.747 -15.913 -5.301 1.00 0.00 O ATOM 1490 CB HIS A 125 13.487 -13.830 -7.556 1.00 0.00 C ATOM 1491 CG HIS A 125 12.718 -13.897 -8.839 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.401 -14.113 -9.072 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 13.302 -13.733 -10.077 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 11.218 -14.076 -10.432 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 12.379 -13.844 -11.016 1.00 0.00 N flip ATOM 0 H HIS A 125 11.422 -13.417 -6.264 1.00 0.00 H new ATOM 0 HA HIS A 125 12.837 -15.783 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.437 -12.814 -7.165 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.537 -14.042 -7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.351 -13.543 -10.252 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.276 -14.214 -10.942 1.00 0.00 H new ATOM 0 HE2 HIS A 125 12.537 -13.764 -12.021 1.00 0.00 H new ATOM 1504 N ALA A 126 14.055 -13.929 -4.497 1.00 0.00 N ATOM 1505 CA ALA A 126 14.993 -13.931 -3.381 1.00 0.00 C ATOM 1506 C ALA A 126 14.695 -15.076 -2.420 1.00 0.00 C ATOM 1507 O ALA A 126 15.600 -15.620 -1.787 1.00 0.00 O ATOM 1508 CB ALA A 126 14.945 -12.598 -2.650 1.00 0.00 C ATOM 0 H ALA A 126 13.452 -13.107 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 126 15.997 -14.077 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.650 -12.613 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.212 -11.796 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.938 -12.428 -2.268 1.00 0.00 H new ATOM 1514 N MET A 127 13.421 -15.438 -2.317 1.00 0.00 N ATOM 1515 CA MET A 127 13.002 -16.520 -1.434 1.00 0.00 C ATOM 1516 C MET A 127 13.630 -17.843 -1.860 1.00 0.00 C ATOM 1517 O MET A 127 14.145 -18.593 -1.031 1.00 0.00 O ATOM 1518 CB MET A 127 11.477 -16.643 -1.433 1.00 0.00 C ATOM 1519 CG MET A 127 10.894 -16.971 -0.068 1.00 0.00 C ATOM 1520 SD MET A 127 9.221 -17.634 -0.170 1.00 0.00 S ATOM 1521 CE MET A 127 8.338 -16.225 -0.834 1.00 0.00 C ATOM 0 H MET A 127 12.660 -14.998 -2.834 1.00 0.00 H new ATOM 0 HA MET A 127 13.342 -16.285 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.045 -15.707 -1.788 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.183 -17.418 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.537 -17.694 0.434 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.887 -16.070 0.546 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.287 -16.289 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.766 -15.306 -0.433 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.423 -16.221 -1.921 1.00 0.00 H new ATOM 1531 N GLY A 128 13.584 -18.121 -3.159 1.00 0.00 N ATOM 1532 CA GLY A 128 14.152 -19.353 -3.674 1.00 0.00 C ATOM 1533 C GLY A 128 13.450 -19.835 -4.928 1.00 0.00 C ATOM 1534 O GLY A 128 13.151 -21.021 -5.064 1.00 0.00 O ATOM 0 H GLY A 128 13.164 -17.515 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.209 -19.200 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.091 -20.126 -2.908 1.00 0.00 H new ATOM 1538 N ILE A 129 13.185 -18.911 -5.847 1.00 0.00 N ATOM 1539 CA ILE A 129 12.513 -19.247 -7.097 1.00 0.00 C ATOM 1540 C ILE A 129 13.135 -18.502 -8.273 1.00 0.00 C ATOM 1541 O ILE A 129 13.791 -17.476 -8.093 1.00 0.00 O ATOM 1542 CB ILE A 129 11.009 -18.918 -7.033 1.00 0.00 C ATOM 1543 CG1 ILE A 129 10.397 -19.471 -5.745 1.00 0.00 C ATOM 1544 CG2 ILE A 129 10.292 -19.480 -8.251 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.011 -18.935 -5.456 1.00 0.00 C ATOM 0 H ILE A 129 13.425 -17.925 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 129 12.637 -20.320 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 129 10.889 -17.835 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.351 -20.558 -5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.053 -19.230 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.231 -19.240 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.713 -19.041 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.418 -20.562 -8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.639 -19.370 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.054 -17.850 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.341 -19.199 -6.274 1.00 0.00 H new