USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 751 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 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.11) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -163:sc= 1.41 (180deg=1.24) USER MOD Set 2.2: B 104 U O2' : rot -16:sc= 0.453 USER MOD Single : A 0 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.83) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0633) USER MOD Single : A 6 SER OG : rot 180:sc= 0.633 USER MOD Single : A 8 SER OG : rot -140:sc= 0.0249 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 165:sc= 1.24 (180deg=0.968) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.625 K(o=0.62,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 1.29 (180deg=0.66) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 44 SER OG : rot -23:sc= 0.0606 USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= 1.26 (180deg=-0.135) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0348 USER MOD Single : A 74 ASN : amide:sc= 1.2 K(o=1.2,f=-0.21) USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= 0.743 (180deg=0.301) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 101 A O2' : rot 22:sc= 0.0543 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 134:sc= 1.22 USER MOD Single : B 103 A O2' : rot -3:sc= 1.23 USER MOD Single : B 105 C O2' : rot -18:sc= 0.0414 USER MOD Single : B 106 A O2' : rot 180:sc= 0 USER MOD Single : B 106 A O3' : rot 135:sc= 0.0986 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 22.720 35.378 41.899 1.00 0.00 N ATOM 2 CA GLY A -2 23.608 34.774 42.915 1.00 0.00 C ATOM 3 C GLY A -2 24.214 35.823 43.839 1.00 0.00 C ATOM 4 O GLY A -2 23.791 36.982 43.831 1.00 0.00 O ATOM 0 H1 GLY A -2 22.532 34.685 41.146 1.00 0.00 H new ATOM 0 H2 GLY A -2 21.823 35.657 42.344 1.00 0.00 H new ATOM 0 H3 GLY A -2 23.180 36.217 41.491 1.00 0.00 H new ATOM 0 HA2 GLY A -2 23.044 34.052 43.506 1.00 0.00 H new ATOM 0 HA3 GLY A -2 24.407 34.224 42.417 1.00 0.00 H new ATOM 10 N SER A -1 25.210 35.431 44.636 1.00 0.00 N ATOM 11 CA SER A -1 25.960 36.323 45.537 1.00 0.00 C ATOM 12 C SER A -1 27.380 35.788 45.767 1.00 0.00 C ATOM 13 O SER A -1 27.568 34.752 46.415 1.00 0.00 O ATOM 14 CB SER A -1 25.211 36.483 46.866 1.00 0.00 C ATOM 15 OG SER A -1 25.903 37.384 47.718 1.00 0.00 O ATOM 0 H SER A -1 25.529 34.463 44.677 1.00 0.00 H new ATOM 0 HA SER A -1 26.043 37.304 45.070 1.00 0.00 H new ATOM 0 HB2 SER A -1 24.202 36.850 46.680 1.00 0.00 H new ATOM 0 HB3 SER A -1 25.112 35.514 47.354 1.00 0.00 H new ATOM 0 HG SER A -1 25.413 37.478 48.562 1.00 0.00 H new ATOM 21 N HIS A 0 28.380 36.486 45.214 1.00 0.00 N ATOM 22 CA HIS A 0 29.795 36.075 45.215 1.00 0.00 C ATOM 23 C HIS A 0 30.759 37.269 45.295 1.00 0.00 C ATOM 24 O HIS A 0 31.605 37.327 46.190 1.00 0.00 O ATOM 25 CB HIS A 0 30.113 35.246 43.950 1.00 0.00 C ATOM 26 CG HIS A 0 29.350 33.953 43.791 1.00 0.00 C ATOM 27 ND1 HIS A 0 28.077 33.806 43.229 1.00 0.00 N ATOM 28 CD2 HIS A 0 29.838 32.715 44.105 1.00 0.00 C ATOM 29 CE1 HIS A 0 27.827 32.483 43.226 1.00 0.00 C ATOM 30 NE2 HIS A 0 28.867 31.809 43.747 1.00 0.00 N ATOM 0 H HIS A 0 28.226 37.376 44.740 1.00 0.00 H new ATOM 0 HA HIS A 0 29.943 35.469 46.109 1.00 0.00 H new ATOM 0 HB2 HIS A 0 29.920 35.867 43.076 1.00 0.00 H new ATOM 0 HB3 HIS A 0 31.179 35.017 43.949 1.00 0.00 H new ATOM 0 HD2 HIS A 0 30.798 32.492 44.547 1.00 0.00 H new ATOM 0 HE1 HIS A 0 26.920 32.028 42.857 1.00 0.00 H new ATOM 0 HE2 HIS A 0 28.926 30.797 43.858 1.00 0.00 H new ATOM 38 N MET A 1 30.644 38.206 44.349 1.00 0.00 N ATOM 39 CA MET A 1 31.548 39.347 44.134 1.00 0.00 C ATOM 40 C MET A 1 30.867 40.417 43.253 1.00 0.00 C ATOM 41 O MET A 1 29.720 40.235 42.828 1.00 0.00 O ATOM 42 CB MET A 1 32.855 38.830 43.482 1.00 0.00 C ATOM 43 CG MET A 1 32.653 38.217 42.085 1.00 0.00 C ATOM 44 SD MET A 1 34.154 37.574 41.291 1.00 0.00 S ATOM 45 CE MET A 1 34.506 36.130 42.334 1.00 0.00 C ATOM 0 H MET A 1 29.878 38.191 43.675 1.00 0.00 H new ATOM 0 HA MET A 1 31.787 39.817 45.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.564 39.655 43.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.304 38.082 44.135 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.929 37.406 42.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.214 38.974 41.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.327 35.559 41.900 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.785 36.463 43.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.618 35.500 42.395 1.00 0.00 H new ATOM 55 N VAL A 2 31.572 41.511 42.946 1.00 0.00 N ATOM 56 CA VAL A 2 31.193 42.452 41.876 1.00 0.00 C ATOM 57 C VAL A 2 32.431 43.015 41.166 1.00 0.00 C ATOM 58 O VAL A 2 33.319 43.614 41.779 1.00 0.00 O ATOM 59 CB VAL A 2 30.212 43.537 42.382 1.00 0.00 C ATOM 60 CG1 VAL A 2 30.765 44.441 43.490 1.00 0.00 C ATOM 61 CG2 VAL A 2 29.724 44.422 41.230 1.00 0.00 C ATOM 0 H VAL A 2 32.428 41.774 43.434 1.00 0.00 H new ATOM 0 HA VAL A 2 30.639 41.899 41.117 1.00 0.00 H new ATOM 0 HB VAL A 2 29.389 42.969 42.816 1.00 0.00 H new ATOM 0 HG11 VAL A 2 30.006 45.168 43.779 1.00 0.00 H new ATOM 0 HG12 VAL A 2 31.033 43.834 44.355 1.00 0.00 H new ATOM 0 HG13 VAL A 2 31.649 44.964 43.125 1.00 0.00 H new ATOM 0 HG21 VAL A 2 29.036 45.175 41.616 1.00 0.00 H new ATOM 0 HG22 VAL A 2 30.577 44.915 40.763 1.00 0.00 H new ATOM 0 HG23 VAL A 2 29.211 43.807 40.491 1.00 0.00 H new ATOM 71 N ILE A 3 32.511 42.782 39.856 1.00 0.00 N ATOM 72 CA ILE A 3 33.612 43.215 38.977 1.00 0.00 C ATOM 73 C ILE A 3 33.509 44.716 38.617 1.00 0.00 C ATOM 74 O ILE A 3 32.453 45.333 38.767 1.00 0.00 O ATOM 75 CB ILE A 3 33.673 42.264 37.756 1.00 0.00 C ATOM 76 CG1 ILE A 3 34.916 42.427 36.848 1.00 0.00 C ATOM 77 CG2 ILE A 3 32.412 42.382 36.883 1.00 0.00 C ATOM 78 CD1 ILE A 3 36.250 42.228 37.581 1.00 0.00 C ATOM 0 H ILE A 3 31.787 42.268 39.353 1.00 0.00 H new ATOM 0 HA ILE A 3 34.565 43.138 39.500 1.00 0.00 H new ATOM 0 HB ILE A 3 33.743 41.276 38.210 1.00 0.00 H new ATOM 0 HG12 ILE A 3 34.852 41.711 36.029 1.00 0.00 H new ATOM 0 HG13 ILE A 3 34.901 43.422 36.403 1.00 0.00 H new ATOM 0 HG21 ILE A 3 32.491 41.700 36.036 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.534 42.125 37.475 1.00 0.00 H new ATOM 0 HG23 ILE A 3 32.317 43.405 36.518 1.00 0.00 H new ATOM 0 HD11 ILE A 3 37.074 42.358 36.879 1.00 0.00 H new ATOM 0 HD12 ILE A 3 36.337 42.961 38.383 1.00 0.00 H new ATOM 0 HD13 ILE A 3 36.287 41.223 38.002 1.00 0.00 H new ATOM 90 N ARG A 4 34.623 45.321 38.178 1.00 0.00 N ATOM 91 CA ARG A 4 34.699 46.724 37.729 1.00 0.00 C ATOM 92 C ARG A 4 33.952 46.928 36.400 1.00 0.00 C ATOM 93 O ARG A 4 33.781 45.984 35.628 1.00 0.00 O ATOM 94 CB ARG A 4 36.171 47.175 37.606 1.00 0.00 C ATOM 95 CG ARG A 4 36.886 47.512 38.929 1.00 0.00 C ATOM 96 CD ARG A 4 37.270 46.322 39.828 1.00 0.00 C ATOM 97 NE ARG A 4 36.182 45.884 40.731 1.00 0.00 N ATOM 98 CZ ARG A 4 35.837 46.405 41.897 1.00 0.00 C ATOM 99 NH1 ARG A 4 36.437 47.446 42.400 1.00 0.00 N ATOM 100 NH2 ARG A 4 34.873 45.876 42.591 1.00 0.00 N ATOM 0 H ARG A 4 35.520 44.838 38.123 1.00 0.00 H new ATOM 0 HA ARG A 4 34.210 47.343 38.481 1.00 0.00 H new ATOM 0 HB2 ARG A 4 36.731 46.386 37.104 1.00 0.00 H new ATOM 0 HB3 ARG A 4 36.209 48.053 36.961 1.00 0.00 H new ATOM 0 HG2 ARG A 4 37.794 48.068 38.694 1.00 0.00 H new ATOM 0 HG3 ARG A 4 36.243 48.179 39.503 1.00 0.00 H new ATOM 0 HD2 ARG A 4 37.568 45.483 39.198 1.00 0.00 H new ATOM 0 HD3 ARG A 4 38.139 46.595 40.426 1.00 0.00 H new ATOM 0 HE ARG A 4 35.632 45.084 40.416 1.00 0.00 H new ATOM 0 HH11 ARG A 4 37.202 47.889 41.891 1.00 0.00 H new ATOM 0 HH12 ARG A 4 36.142 47.818 43.302 1.00 0.00 H new ATOM 0 HH21 ARG A 4 34.380 45.056 42.237 1.00 0.00 H new ATOM 0 HH22 ARG A 4 34.610 46.281 43.490 1.00 0.00 H new ATOM 114 N GLU A 5 33.540 48.172 36.120 1.00 0.00 N ATOM 115 CA GLU A 5 32.646 48.537 35.000 1.00 0.00 C ATOM 116 C GLU A 5 31.300 47.764 35.072 1.00 0.00 C ATOM 117 O GLU A 5 30.915 47.290 36.146 1.00 0.00 O ATOM 118 CB GLU A 5 33.434 48.422 33.669 1.00 0.00 C ATOM 119 CG GLU A 5 32.816 49.167 32.470 1.00 0.00 C ATOM 120 CD GLU A 5 33.856 49.552 31.397 1.00 0.00 C ATOM 121 OE1 GLU A 5 34.823 48.791 31.152 1.00 0.00 O ATOM 122 OE2 GLU A 5 33.698 50.627 30.767 1.00 0.00 O ATOM 0 H GLU A 5 33.824 48.977 36.678 1.00 0.00 H new ATOM 0 HA GLU A 5 32.332 49.579 35.069 1.00 0.00 H new ATOM 0 HB2 GLU A 5 34.443 48.801 33.830 1.00 0.00 H new ATOM 0 HB3 GLU A 5 33.527 47.367 33.411 1.00 0.00 H new ATOM 0 HG2 GLU A 5 32.049 48.540 32.016 1.00 0.00 H new ATOM 0 HG3 GLU A 5 32.320 50.069 32.827 1.00 0.00 H new ATOM 129 N SER A 6 30.540 47.662 33.976 1.00 0.00 N ATOM 130 CA SER A 6 29.395 46.740 33.881 1.00 0.00 C ATOM 131 C SER A 6 29.840 45.318 33.522 1.00 0.00 C ATOM 132 O SER A 6 29.809 44.460 34.398 1.00 0.00 O ATOM 133 CB SER A 6 28.318 47.275 32.929 1.00 0.00 C ATOM 134 OG SER A 6 27.698 48.413 33.505 1.00 0.00 O ATOM 0 H SER A 6 30.697 48.212 33.132 1.00 0.00 H new ATOM 0 HA SER A 6 28.938 46.681 34.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.764 47.538 31.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.574 46.502 32.734 1.00 0.00 H new ATOM 0 HG SER A 6 27.011 48.755 32.895 1.00 0.00 H new ATOM 140 N VAL A 7 30.268 45.091 32.270 1.00 0.00 N ATOM 141 CA VAL A 7 30.582 43.792 31.621 1.00 0.00 C ATOM 142 C VAL A 7 29.453 42.751 31.667 1.00 0.00 C ATOM 143 O VAL A 7 28.736 42.597 32.655 1.00 0.00 O ATOM 144 CB VAL A 7 31.956 43.189 32.005 1.00 0.00 C ATOM 145 CG1 VAL A 7 33.064 44.250 32.037 1.00 0.00 C ATOM 146 CG2 VAL A 7 32.000 42.392 33.313 1.00 0.00 C ATOM 0 H VAL A 7 30.418 45.869 31.627 1.00 0.00 H new ATOM 0 HA VAL A 7 30.669 44.075 30.572 1.00 0.00 H new ATOM 0 HB VAL A 7 32.130 42.472 31.203 1.00 0.00 H new ATOM 0 HG11 VAL A 7 34.009 43.781 32.311 1.00 0.00 H new ATOM 0 HG12 VAL A 7 33.158 44.708 31.052 1.00 0.00 H new ATOM 0 HG13 VAL A 7 32.813 45.016 32.771 1.00 0.00 H new ATOM 0 HG21 VAL A 7 33.011 42.019 33.478 1.00 0.00 H new ATOM 0 HG22 VAL A 7 31.712 43.038 34.142 1.00 0.00 H new ATOM 0 HG23 VAL A 7 31.309 41.552 33.250 1.00 0.00 H new ATOM 156 N SER A 8 29.273 42.001 30.577 1.00 0.00 N ATOM 157 CA SER A 8 28.338 40.870 30.570 1.00 0.00 C ATOM 158 C SER A 8 28.950 39.607 31.183 1.00 0.00 C ATOM 159 O SER A 8 30.168 39.470 31.324 1.00 0.00 O ATOM 160 CB SER A 8 27.797 40.569 29.185 1.00 0.00 C ATOM 161 OG SER A 8 26.607 39.809 29.323 1.00 0.00 O ATOM 0 H SER A 8 29.758 42.154 29.693 1.00 0.00 H new ATOM 0 HA SER A 8 27.501 41.181 31.195 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.595 41.495 28.648 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.534 40.017 28.602 1.00 0.00 H new ATOM 0 HG SER A 8 26.582 39.112 28.634 1.00 0.00 H new ATOM 167 N ARG A 9 28.067 38.680 31.549 1.00 0.00 N ATOM 168 CA ARG A 9 28.322 37.480 32.353 1.00 0.00 C ATOM 169 C ARG A 9 27.380 36.372 31.893 1.00 0.00 C ATOM 170 O ARG A 9 26.170 36.593 31.924 1.00 0.00 O ATOM 171 CB ARG A 9 28.152 37.741 33.882 1.00 0.00 C ATOM 172 CG ARG A 9 28.054 39.195 34.401 1.00 0.00 C ATOM 173 CD ARG A 9 26.622 39.761 34.506 1.00 0.00 C ATOM 174 NE ARG A 9 25.770 39.453 33.337 1.00 0.00 N ATOM 175 CZ ARG A 9 24.737 40.151 32.899 1.00 0.00 C ATOM 176 NH1 ARG A 9 24.235 41.154 33.558 1.00 0.00 N ATOM 177 NH2 ARG A 9 24.177 39.838 31.767 1.00 0.00 N ATOM 0 H ARG A 9 27.087 38.749 31.275 1.00 0.00 H new ATOM 0 HA ARG A 9 29.360 37.182 32.203 1.00 0.00 H new ATOM 0 HB2 ARG A 9 27.252 37.218 34.204 1.00 0.00 H new ATOM 0 HB3 ARG A 9 28.994 37.269 34.389 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.520 39.245 35.385 1.00 0.00 H new ATOM 0 HG3 ARG A 9 28.634 39.839 33.741 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.149 39.362 35.403 1.00 0.00 H new ATOM 0 HD3 ARG A 9 26.677 40.843 34.628 1.00 0.00 H new ATOM 0 HE ARG A 9 26.005 38.611 32.812 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.640 41.431 34.452 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.436 41.664 33.180 1.00 0.00 H new ATOM 0 HH21 ARG A 9 24.535 39.055 31.220 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.379 40.375 31.427 1.00 0.00 H new ATOM 191 N ILE A 10 27.921 35.211 31.534 1.00 0.00 N ATOM 192 CA ILE A 10 27.170 33.982 31.228 1.00 0.00 C ATOM 193 C ILE A 10 27.945 32.750 31.710 1.00 0.00 C ATOM 194 O ILE A 10 29.149 32.622 31.473 1.00 0.00 O ATOM 195 CB ILE A 10 26.821 33.820 29.724 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.965 34.142 28.735 1.00 0.00 C ATOM 197 CG2 ILE A 10 25.511 34.527 29.345 1.00 0.00 C ATOM 198 CD1 ILE A 10 28.139 35.610 28.315 1.00 0.00 C ATOM 0 H ILE A 10 28.930 35.089 31.443 1.00 0.00 H new ATOM 0 HA ILE A 10 26.224 34.070 31.762 1.00 0.00 H new ATOM 0 HB ILE A 10 26.666 32.747 29.610 1.00 0.00 H new ATOM 0 HG12 ILE A 10 28.901 33.805 29.180 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.809 33.549 27.834 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.314 34.383 28.283 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.690 34.108 29.927 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.598 35.593 29.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.975 35.693 27.621 1.00 0.00 H new ATOM 0 HD12 ILE A 10 27.228 35.960 27.829 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.337 36.220 29.197 1.00 0.00 H new ATOM 210 N TYR A 11 27.222 31.826 32.339 1.00 0.00 N ATOM 211 CA TYR A 11 27.640 30.456 32.639 1.00 0.00 C ATOM 212 C TYR A 11 26.556 29.489 32.143 1.00 0.00 C ATOM 213 O TYR A 11 25.363 29.739 32.332 1.00 0.00 O ATOM 214 CB TYR A 11 27.990 30.306 34.136 1.00 0.00 C ATOM 215 CG TYR A 11 27.460 29.066 34.839 1.00 0.00 C ATOM 216 CD1 TYR A 11 26.155 29.086 35.364 1.00 0.00 C ATOM 217 CD2 TYR A 11 28.262 27.923 35.009 1.00 0.00 C ATOM 218 CE1 TYR A 11 25.643 27.972 36.051 1.00 0.00 C ATOM 219 CE2 TYR A 11 27.756 26.803 35.703 1.00 0.00 C ATOM 220 CZ TYR A 11 26.442 26.822 36.220 1.00 0.00 C ATOM 221 OH TYR A 11 25.947 25.761 36.912 1.00 0.00 O ATOM 0 H TYR A 11 26.278 32.022 32.671 1.00 0.00 H new ATOM 0 HA TYR A 11 28.559 30.205 32.109 1.00 0.00 H new ATOM 0 HB2 TYR A 11 29.075 30.316 34.235 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.614 31.183 34.663 1.00 0.00 H new ATOM 0 HD1 TYR A 11 25.541 29.965 35.238 1.00 0.00 H new ATOM 0 HD2 TYR A 11 29.265 27.902 34.609 1.00 0.00 H new ATOM 0 HE1 TYR A 11 24.639 27.996 36.449 1.00 0.00 H new ATOM 0 HE2 TYR A 11 28.376 25.929 35.839 1.00 0.00 H new ATOM 0 HH TYR A 11 26.618 25.047 36.940 1.00 0.00 H new ATOM 231 N VAL A 12 26.973 28.398 31.492 1.00 0.00 N ATOM 232 CA VAL A 12 26.085 27.350 30.955 1.00 0.00 C ATOM 233 C VAL A 12 26.420 26.003 31.597 1.00 0.00 C ATOM 234 O VAL A 12 27.298 25.265 31.149 1.00 0.00 O ATOM 235 CB VAL A 12 26.090 27.305 29.409 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.289 28.476 28.830 1.00 0.00 C ATOM 237 CG2 VAL A 12 27.482 27.349 28.767 1.00 0.00 C ATOM 0 H VAL A 12 27.960 28.210 31.317 1.00 0.00 H new ATOM 0 HA VAL A 12 25.058 27.598 31.224 1.00 0.00 H new ATOM 0 HB VAL A 12 25.642 26.340 29.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.306 28.425 27.741 1.00 0.00 H new ATOM 0 HG12 VAL A 12 24.258 28.420 29.180 1.00 0.00 H new ATOM 0 HG13 VAL A 12 25.733 29.417 29.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 27.384 27.313 27.682 1.00 0.00 H new ATOM 0 HG22 VAL A 12 27.987 28.271 29.055 1.00 0.00 H new ATOM 0 HG23 VAL A 12 28.067 26.494 29.107 1.00 0.00 H new ATOM 247 N GLY A 13 25.736 25.707 32.701 1.00 0.00 N ATOM 248 CA GLY A 13 25.929 24.514 33.518 1.00 0.00 C ATOM 249 C GLY A 13 25.328 23.249 32.913 1.00 0.00 C ATOM 250 O GLY A 13 24.204 23.257 32.401 1.00 0.00 O ATOM 0 H GLY A 13 25.003 26.317 33.064 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.997 24.360 33.672 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.486 24.682 34.500 1.00 0.00 H new ATOM 254 N ASN A 14 26.081 22.146 33.016 1.00 0.00 N ATOM 255 CA ASN A 14 25.673 20.791 32.631 1.00 0.00 C ATOM 256 C ASN A 14 25.320 20.648 31.134 1.00 0.00 C ATOM 257 O ASN A 14 24.519 19.784 30.764 1.00 0.00 O ATOM 258 CB ASN A 14 24.577 20.263 33.585 1.00 0.00 C ATOM 259 CG ASN A 14 24.862 20.505 35.060 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.566 21.553 35.614 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.426 19.541 35.748 1.00 0.00 N ATOM 0 H ASN A 14 27.031 22.176 33.386 1.00 0.00 H new ATOM 0 HA ASN A 14 26.543 20.145 32.749 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.629 20.736 33.328 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.454 19.192 33.421 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.616 19.668 36.742 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.674 18.665 35.289 1.00 0.00 H new ATOM 268 N LEU A 15 25.896 21.497 30.271 1.00 0.00 N ATOM 269 CA LEU A 15 25.575 21.571 28.843 1.00 0.00 C ATOM 270 C LEU A 15 25.802 20.227 28.101 1.00 0.00 C ATOM 271 O LEU A 15 26.771 19.520 28.405 1.00 0.00 O ATOM 272 CB LEU A 15 26.326 22.756 28.188 1.00 0.00 C ATOM 273 CG LEU A 15 27.816 22.543 27.836 1.00 0.00 C ATOM 274 CD1 LEU A 15 28.328 23.746 27.043 1.00 0.00 C ATOM 275 CD2 LEU A 15 28.723 22.380 29.059 1.00 0.00 C ATOM 0 H LEU A 15 26.613 22.165 30.555 1.00 0.00 H new ATOM 0 HA LEU A 15 24.506 21.761 28.751 1.00 0.00 H new ATOM 0 HB2 LEU A 15 25.798 23.025 27.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.257 23.612 28.860 1.00 0.00 H new ATOM 0 HG LEU A 15 27.858 21.618 27.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 29.379 23.597 26.794 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.749 23.850 26.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.222 24.649 27.643 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.753 22.235 28.732 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.662 23.274 29.679 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.401 21.515 29.638 1.00 0.00 H new ATOM 287 N PRO A 16 24.944 19.860 27.124 1.00 0.00 N ATOM 288 CA PRO A 16 25.062 18.601 26.384 1.00 0.00 C ATOM 289 C PRO A 16 26.297 18.605 25.464 1.00 0.00 C ATOM 290 O PRO A 16 26.332 19.323 24.460 1.00 0.00 O ATOM 291 CB PRO A 16 23.742 18.458 25.617 1.00 0.00 C ATOM 292 CG PRO A 16 23.270 19.899 25.425 1.00 0.00 C ATOM 293 CD PRO A 16 23.760 20.592 26.694 1.00 0.00 C ATOM 0 HA PRO A 16 25.217 17.747 27.043 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.888 17.955 24.661 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.015 17.871 26.179 1.00 0.00 H new ATOM 0 HG2 PRO A 16 23.698 20.348 24.529 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.186 19.959 25.325 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.998 21.638 26.500 1.00 0.00 H new ATOM 0 HD3 PRO A 16 22.992 20.578 27.467 1.00 0.00 H new ATOM 301 N SER A 17 27.291 17.777 25.809 1.00 0.00 N ATOM 302 CA SER A 17 28.667 17.755 25.275 1.00 0.00 C ATOM 303 C SER A 17 29.462 19.050 25.532 1.00 0.00 C ATOM 304 O SER A 17 28.991 20.161 25.268 1.00 0.00 O ATOM 305 CB SER A 17 28.690 17.349 23.796 1.00 0.00 C ATOM 306 OG SER A 17 30.021 17.103 23.373 1.00 0.00 O ATOM 0 H SER A 17 27.150 17.055 26.515 1.00 0.00 H new ATOM 0 HA SER A 17 29.190 16.985 25.843 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.083 16.456 23.648 1.00 0.00 H new ATOM 0 HB3 SER A 17 28.248 18.139 23.188 1.00 0.00 H new ATOM 0 HG SER A 17 30.021 16.843 22.428 1.00 0.00 H new ATOM 312 N HIS A 18 30.690 18.930 26.057 1.00 0.00 N ATOM 313 CA HIS A 18 31.559 20.090 26.307 1.00 0.00 C ATOM 314 C HIS A 18 32.054 20.719 24.990 1.00 0.00 C ATOM 315 O HIS A 18 32.273 20.029 23.989 1.00 0.00 O ATOM 316 CB HIS A 18 32.695 19.733 27.282 1.00 0.00 C ATOM 317 CG HIS A 18 33.774 18.839 26.724 1.00 0.00 C ATOM 318 ND1 HIS A 18 34.918 19.277 26.047 1.00 0.00 N ATOM 319 CD2 HIS A 18 33.813 17.477 26.819 1.00 0.00 C ATOM 320 CE1 HIS A 18 35.612 18.167 25.740 1.00 0.00 C ATOM 321 NE2 HIS A 18 34.973 17.075 26.192 1.00 0.00 N ATOM 0 H HIS A 18 31.106 18.036 26.318 1.00 0.00 H new ATOM 0 HA HIS A 18 30.968 20.862 26.800 1.00 0.00 H new ATOM 0 HB2 HIS A 18 33.157 20.658 27.628 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.261 19.247 28.156 1.00 0.00 H new ATOM 0 HD2 HIS A 18 33.080 16.841 27.292 1.00 0.00 H new ATOM 0 HE1 HIS A 18 36.550 18.155 25.206 1.00 0.00 H new ATOM 0 HE2 HIS A 18 35.292 16.112 26.089 1.00 0.00 H new ATOM 329 N VAL A 19 32.171 22.050 24.976 1.00 0.00 N ATOM 330 CA VAL A 19 32.285 22.872 23.756 1.00 0.00 C ATOM 331 C VAL A 19 33.704 23.417 23.539 1.00 0.00 C ATOM 332 O VAL A 19 34.394 23.782 24.491 1.00 0.00 O ATOM 333 CB VAL A 19 31.197 23.968 23.787 1.00 0.00 C ATOM 334 CG1 VAL A 19 31.384 24.979 24.925 1.00 0.00 C ATOM 335 CG2 VAL A 19 31.102 24.726 22.462 1.00 0.00 C ATOM 0 H VAL A 19 32.190 22.605 25.832 1.00 0.00 H new ATOM 0 HA VAL A 19 32.109 22.244 22.883 1.00 0.00 H new ATOM 0 HB VAL A 19 30.268 23.426 23.963 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.586 25.720 24.888 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.352 24.459 25.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.347 25.477 24.815 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.324 25.486 22.533 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.058 25.204 22.247 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.857 24.029 21.661 1.00 0.00 H new ATOM 345 N SER A 20 34.159 23.485 22.285 1.00 0.00 N ATOM 346 CA SER A 20 35.469 24.062 21.932 1.00 0.00 C ATOM 347 C SER A 20 35.500 25.585 22.125 1.00 0.00 C ATOM 348 O SER A 20 34.500 26.271 21.905 1.00 0.00 O ATOM 349 CB SER A 20 35.844 23.716 20.486 1.00 0.00 C ATOM 350 OG SER A 20 35.900 22.306 20.311 1.00 0.00 O ATOM 0 H SER A 20 33.632 23.142 21.481 1.00 0.00 H new ATOM 0 HA SER A 20 36.201 23.622 22.610 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.112 24.145 19.801 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.809 24.158 20.238 1.00 0.00 H new ATOM 0 HG SER A 20 36.139 22.101 19.383 1.00 0.00 H new ATOM 356 N SER A 21 36.665 26.138 22.478 1.00 0.00 N ATOM 357 CA SER A 21 36.856 27.585 22.689 1.00 0.00 C ATOM 358 C SER A 21 36.553 28.413 21.433 1.00 0.00 C ATOM 359 O SER A 21 35.882 29.444 21.525 1.00 0.00 O ATOM 360 CB SER A 21 38.288 27.852 23.175 1.00 0.00 C ATOM 361 OG SER A 21 39.237 27.355 22.242 1.00 0.00 O ATOM 0 H SER A 21 37.513 25.592 22.628 1.00 0.00 H new ATOM 0 HA SER A 21 36.142 27.901 23.450 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.436 28.923 23.316 1.00 0.00 H new ATOM 0 HB3 SER A 21 38.442 27.379 24.145 1.00 0.00 H new ATOM 0 HG SER A 21 40.143 27.536 22.569 1.00 0.00 H new ATOM 367 N ARG A 22 36.946 27.929 20.245 1.00 0.00 N ATOM 368 CA ARG A 22 36.583 28.524 18.946 1.00 0.00 C ATOM 369 C ARG A 22 35.071 28.541 18.716 1.00 0.00 C ATOM 370 O ARG A 22 34.551 29.518 18.186 1.00 0.00 O ATOM 371 CB ARG A 22 37.350 27.799 17.816 1.00 0.00 C ATOM 372 CG ARG A 22 36.931 28.223 16.392 1.00 0.00 C ATOM 373 CD ARG A 22 35.803 27.332 15.841 1.00 0.00 C ATOM 374 NE ARG A 22 34.976 28.011 14.823 1.00 0.00 N ATOM 375 CZ ARG A 22 33.854 27.540 14.305 1.00 0.00 C ATOM 376 NH1 ARG A 22 33.318 26.416 14.687 1.00 0.00 N ATOM 377 NH2 ARG A 22 33.225 28.204 13.381 1.00 0.00 N ATOM 0 H ARG A 22 37.534 27.100 20.156 1.00 0.00 H new ATOM 0 HA ARG A 22 36.883 29.572 18.946 1.00 0.00 H new ATOM 0 HB2 ARG A 22 38.417 27.985 17.939 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.200 26.725 17.922 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.601 29.262 16.404 1.00 0.00 H new ATOM 0 HG3 ARG A 22 37.794 28.170 15.728 1.00 0.00 H new ATOM 0 HD2 ARG A 22 36.238 26.432 15.406 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.165 27.012 16.665 1.00 0.00 H new ATOM 0 HE ARG A 22 35.297 28.920 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.765 25.859 15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.451 26.093 14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.596 29.095 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.360 27.834 12.986 1.00 0.00 H new ATOM 391 N ASP A 23 34.355 27.488 19.110 1.00 0.00 N ATOM 392 CA ASP A 23 32.910 27.384 18.881 1.00 0.00 C ATOM 393 C ASP A 23 32.132 28.411 19.719 1.00 0.00 C ATOM 394 O ASP A 23 31.275 29.106 19.172 1.00 0.00 O ATOM 395 CB ASP A 23 32.394 25.958 19.136 1.00 0.00 C ATOM 396 CG ASP A 23 32.925 24.875 18.177 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.591 25.195 17.163 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.643 23.680 18.433 1.00 0.00 O ATOM 0 H ASP A 23 34.756 26.685 19.595 1.00 0.00 H new ATOM 0 HA ASP A 23 32.736 27.612 17.829 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.654 25.674 20.156 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.306 25.969 19.076 1.00 0.00 H new ATOM 403 N VAL A 24 32.466 28.587 21.007 1.00 0.00 N ATOM 404 CA VAL A 24 31.865 29.666 21.821 1.00 0.00 C ATOM 405 C VAL A 24 32.322 31.054 21.371 1.00 0.00 C ATOM 406 O VAL A 24 31.501 31.967 21.339 1.00 0.00 O ATOM 407 CB VAL A 24 32.064 29.496 23.340 1.00 0.00 C ATOM 408 CG1 VAL A 24 31.266 28.292 23.840 1.00 0.00 C ATOM 409 CG2 VAL A 24 33.518 29.343 23.790 1.00 0.00 C ATOM 0 H VAL A 24 33.140 28.006 21.506 1.00 0.00 H new ATOM 0 HA VAL A 24 30.794 29.579 21.640 1.00 0.00 H new ATOM 0 HB VAL A 24 31.705 30.428 23.777 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.412 28.179 24.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 30.207 28.446 23.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.609 27.391 23.331 1.00 0.00 H new ATOM 0 HG21 VAL A 24 33.554 29.230 24.874 1.00 0.00 H new ATOM 0 HG22 VAL A 24 33.954 28.462 23.318 1.00 0.00 H new ATOM 0 HG23 VAL A 24 34.084 30.228 23.499 1.00 0.00 H new ATOM 419 N GLU A 25 33.578 31.230 20.951 1.00 0.00 N ATOM 420 CA GLU A 25 34.066 32.501 20.402 1.00 0.00 C ATOM 421 C GLU A 25 33.314 32.915 19.122 1.00 0.00 C ATOM 422 O GLU A 25 33.008 34.093 18.947 1.00 0.00 O ATOM 423 CB GLU A 25 35.583 32.407 20.164 1.00 0.00 C ATOM 424 CG GLU A 25 36.199 33.709 19.629 1.00 0.00 C ATOM 425 CD GLU A 25 37.739 33.648 19.541 1.00 0.00 C ATOM 426 OE1 GLU A 25 38.302 32.597 19.145 1.00 0.00 O ATOM 427 OE2 GLU A 25 38.401 34.673 19.835 1.00 0.00 O ATOM 0 H GLU A 25 34.286 30.496 20.981 1.00 0.00 H new ATOM 0 HA GLU A 25 33.868 33.287 21.131 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.074 32.139 21.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.783 31.602 19.457 1.00 0.00 H new ATOM 0 HG2 GLU A 25 35.791 33.920 18.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.909 34.536 20.277 1.00 0.00 H new ATOM 434 N ASN A 26 32.968 31.962 18.250 1.00 0.00 N ATOM 435 CA ASN A 26 32.201 32.213 17.026 1.00 0.00 C ATOM 436 C ASN A 26 30.682 32.357 17.284 1.00 0.00 C ATOM 437 O ASN A 26 30.017 33.101 16.564 1.00 0.00 O ATOM 438 CB ASN A 26 32.517 31.084 16.021 1.00 0.00 C ATOM 439 CG ASN A 26 32.336 31.451 14.551 1.00 0.00 C ATOM 440 OD1 ASN A 26 33.106 31.031 13.698 1.00 0.00 O ATOM 441 ND2 ASN A 26 31.354 32.246 14.185 1.00 0.00 N ATOM 0 H ASN A 26 33.217 30.981 18.377 1.00 0.00 H new ATOM 0 HA ASN A 26 32.502 33.174 16.609 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.547 30.761 16.174 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.879 30.230 16.247 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.244 32.503 13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.702 32.606 14.882 1.00 0.00 H new ATOM 448 N GLU A 27 30.123 31.663 18.283 1.00 0.00 N ATOM 449 CA GLU A 27 28.680 31.671 18.581 1.00 0.00 C ATOM 450 C GLU A 27 28.254 32.833 19.496 1.00 0.00 C ATOM 451 O GLU A 27 27.374 33.618 19.136 1.00 0.00 O ATOM 452 CB GLU A 27 28.286 30.307 19.188 1.00 0.00 C ATOM 453 CG GLU A 27 26.796 30.132 19.534 1.00 0.00 C ATOM 454 CD GLU A 27 25.887 29.843 18.320 1.00 0.00 C ATOM 455 OE1 GLU A 27 26.177 30.292 17.184 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.849 29.156 18.499 1.00 0.00 O ATOM 0 H GLU A 27 30.663 31.073 18.916 1.00 0.00 H new ATOM 0 HA GLU A 27 28.146 31.831 17.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.571 29.523 18.487 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.871 30.152 20.095 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.696 29.316 20.250 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.442 31.036 20.030 1.00 0.00 H new ATOM 463 N PHE A 28 28.869 32.969 20.676 1.00 0.00 N ATOM 464 CA PHE A 28 28.442 33.931 21.703 1.00 0.00 C ATOM 465 C PHE A 28 28.748 35.394 21.336 1.00 0.00 C ATOM 466 O PHE A 28 28.047 36.293 21.805 1.00 0.00 O ATOM 467 CB PHE A 28 29.038 33.539 23.068 1.00 0.00 C ATOM 468 CG PHE A 28 28.219 32.526 23.853 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.125 32.958 24.632 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.555 31.161 23.830 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.380 32.035 25.388 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.816 30.235 24.593 1.00 0.00 C ATOM 473 CZ PHE A 28 26.731 30.672 25.374 1.00 0.00 C ATOM 0 H PHE A 28 29.680 32.414 20.948 1.00 0.00 H new ATOM 0 HA PHE A 28 27.355 33.879 21.766 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.037 33.133 22.910 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.152 34.440 23.671 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.858 34.004 24.648 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.383 30.821 23.225 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.540 32.371 25.978 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.083 29.189 24.578 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.168 29.963 25.962 1.00 0.00 H new ATOM 483 N ARG A 29 29.721 35.660 20.446 1.00 0.00 N ATOM 484 CA ARG A 29 30.082 37.025 19.998 1.00 0.00 C ATOM 485 C ARG A 29 28.930 37.824 19.363 1.00 0.00 C ATOM 486 O ARG A 29 29.006 39.049 19.291 1.00 0.00 O ATOM 487 CB ARG A 29 31.293 36.989 19.050 1.00 0.00 C ATOM 488 CG ARG A 29 31.010 36.280 17.712 1.00 0.00 C ATOM 489 CD ARG A 29 32.183 36.401 16.731 1.00 0.00 C ATOM 490 NE ARG A 29 32.304 37.769 16.190 1.00 0.00 N ATOM 491 CZ ARG A 29 33.218 38.208 15.341 1.00 0.00 C ATOM 492 NH1 ARG A 29 34.168 37.440 14.887 1.00 0.00 N ATOM 493 NH2 ARG A 29 33.192 39.442 14.926 1.00 0.00 N ATOM 0 H ARG A 29 30.286 34.930 20.012 1.00 0.00 H new ATOM 0 HA ARG A 29 30.340 37.561 20.912 1.00 0.00 H new ATOM 0 HB2 ARG A 29 31.616 38.010 18.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 32.120 36.485 19.550 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.802 35.226 17.898 1.00 0.00 H new ATOM 0 HG3 ARG A 29 30.115 36.706 17.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.109 36.126 17.236 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.046 35.696 15.911 1.00 0.00 H new ATOM 0 HE ARG A 29 31.610 38.447 16.504 1.00 0.00 H new ATOM 0 HH11 ARG A 29 34.223 36.466 15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 29 34.856 37.813 14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.464 40.076 15.256 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.900 39.775 14.271 1.00 0.00 H new ATOM 507 N LYS A 30 27.862 37.150 18.915 1.00 0.00 N ATOM 508 CA LYS A 30 26.640 37.774 18.371 1.00 0.00 C ATOM 509 C LYS A 30 25.935 38.648 19.426 1.00 0.00 C ATOM 510 O LYS A 30 25.398 39.701 19.086 1.00 0.00 O ATOM 511 CB LYS A 30 25.755 36.674 17.723 1.00 0.00 C ATOM 512 CG LYS A 30 24.345 36.433 18.295 1.00 0.00 C ATOM 513 CD LYS A 30 23.299 37.410 17.733 1.00 0.00 C ATOM 514 CE LYS A 30 21.997 37.325 18.537 1.00 0.00 C ATOM 515 NZ LYS A 30 20.979 38.282 18.032 1.00 0.00 N ATOM 0 H LYS A 30 27.819 36.131 18.919 1.00 0.00 H new ATOM 0 HA LYS A 30 26.889 38.478 17.577 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.647 36.916 16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.301 35.733 17.780 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.037 35.411 18.073 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.377 36.527 19.380 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.688 38.428 17.767 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.102 37.179 16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.602 36.311 18.484 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.203 37.532 19.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.111 38.197 18.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.347 39.252 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.765 38.068 17.037 1.00 0.00 H new ATOM 529 N TYR A 31 25.963 38.240 20.697 1.00 0.00 N ATOM 530 CA TYR A 31 25.301 38.946 21.802 1.00 0.00 C ATOM 531 C TYR A 31 26.119 40.137 22.342 1.00 0.00 C ATOM 532 O TYR A 31 25.537 41.123 22.794 1.00 0.00 O ATOM 533 CB TYR A 31 24.994 37.946 22.923 1.00 0.00 C ATOM 534 CG TYR A 31 24.231 36.705 22.487 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.897 36.805 22.040 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.852 35.442 22.552 1.00 0.00 C ATOM 537 CE1 TYR A 31 22.183 35.643 21.687 1.00 0.00 C ATOM 538 CE2 TYR A 31 24.147 34.280 22.183 1.00 0.00 C ATOM 539 CZ TYR A 31 22.804 34.376 21.757 1.00 0.00 C ATOM 540 OH TYR A 31 22.104 33.255 21.426 1.00 0.00 O ATOM 0 H TYR A 31 26.454 37.397 20.994 1.00 0.00 H new ATOM 0 HA TYR A 31 24.377 39.373 21.413 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.934 37.635 23.379 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.418 38.455 23.696 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.423 37.773 21.968 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.876 35.364 22.887 1.00 0.00 H new ATOM 0 HE1 TYR A 31 21.156 35.721 21.361 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.633 33.316 22.226 1.00 0.00 H new ATOM 0 HH TYR A 31 22.679 32.468 21.528 1.00 0.00 H new ATOM 550 N GLY A 32 27.454 40.067 22.276 1.00 0.00 N ATOM 551 CA GLY A 32 28.367 41.141 22.684 1.00 0.00 C ATOM 552 C GLY A 32 29.838 40.823 22.387 1.00 0.00 C ATOM 553 O GLY A 32 30.212 39.666 22.201 1.00 0.00 O ATOM 0 H GLY A 32 27.941 39.241 21.929 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.089 42.061 22.170 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.249 41.324 23.752 1.00 0.00 H new ATOM 557 N ASN A 33 30.690 41.853 22.338 1.00 0.00 N ATOM 558 CA ASN A 33 32.123 41.710 22.051 1.00 0.00 C ATOM 559 C ASN A 33 32.852 40.974 23.190 1.00 0.00 C ATOM 560 O ASN A 33 32.961 41.498 24.300 1.00 0.00 O ATOM 561 CB ASN A 33 32.741 43.098 21.790 1.00 0.00 C ATOM 562 CG ASN A 33 32.165 43.775 20.558 1.00 0.00 C ATOM 563 OD1 ASN A 33 31.120 44.411 20.596 1.00 0.00 O ATOM 564 ND2 ASN A 33 32.816 43.654 19.421 1.00 0.00 N ATOM 0 H ASN A 33 30.402 42.818 22.498 1.00 0.00 H new ATOM 0 HA ASN A 33 32.242 41.102 21.154 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.576 43.734 22.660 1.00 0.00 H new ATOM 0 HB3 ASN A 33 33.820 42.994 21.672 1.00 0.00 H new ATOM 0 HD21 ASN A 33 32.450 44.090 18.575 1.00 0.00 H new ATOM 0 HD22 ASN A 33 33.687 43.125 19.386 1.00 0.00 H new ATOM 571 N ILE A 34 33.340 39.762 22.913 1.00 0.00 N ATOM 572 CA ILE A 34 33.999 38.852 23.864 1.00 0.00 C ATOM 573 C ILE A 34 35.432 39.280 24.211 1.00 0.00 C ATOM 574 O ILE A 34 36.241 39.551 23.316 1.00 0.00 O ATOM 575 CB ILE A 34 33.867 37.383 23.365 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.560 36.333 24.267 1.00 0.00 C ATOM 577 CG2 ILE A 34 34.244 37.184 21.883 1.00 0.00 C ATOM 578 CD1 ILE A 34 36.030 36.005 23.961 1.00 0.00 C ATOM 0 H ILE A 34 33.285 39.366 21.975 1.00 0.00 H new ATOM 0 HA ILE A 34 33.481 38.912 24.821 1.00 0.00 H new ATOM 0 HB ILE A 34 32.796 37.195 23.445 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.499 36.681 25.298 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.988 35.407 24.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 34.125 36.134 21.615 1.00 0.00 H new ATOM 0 HG22 ILE A 34 33.593 37.794 21.257 1.00 0.00 H new ATOM 0 HG23 ILE A 34 35.281 37.483 21.728 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.390 35.257 24.667 1.00 0.00 H new ATOM 0 HD12 ILE A 34 36.112 35.616 22.946 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.631 36.909 24.053 1.00 0.00 H new ATOM 590 N LEU A 35 35.757 39.313 25.511 1.00 0.00 N ATOM 591 CA LEU A 35 37.122 39.514 26.027 1.00 0.00 C ATOM 592 C LEU A 35 37.806 38.189 26.396 1.00 0.00 C ATOM 593 O LEU A 35 38.995 38.010 26.118 1.00 0.00 O ATOM 594 CB LEU A 35 37.134 40.427 27.269 1.00 0.00 C ATOM 595 CG LEU A 35 36.696 41.895 27.114 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.254 42.571 25.859 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.182 42.065 27.141 1.00 0.00 C ATOM 0 H LEU A 35 35.064 39.198 26.251 1.00 0.00 H new ATOM 0 HA LEU A 35 37.674 39.988 25.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.493 39.969 28.022 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.148 40.425 27.670 1.00 0.00 H new ATOM 0 HG LEU A 35 37.124 42.392 27.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.904 43.602 25.815 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.343 42.558 25.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 36.912 42.034 24.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.932 43.120 27.028 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.737 41.497 26.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 34.792 41.700 28.091 1.00 0.00 H new ATOM 609 N LYS A 36 37.063 37.262 27.018 1.00 0.00 N ATOM 610 CA LYS A 36 37.559 35.956 27.481 1.00 0.00 C ATOM 611 C LYS A 36 36.461 34.893 27.440 1.00 0.00 C ATOM 612 O LYS A 36 35.286 35.193 27.675 1.00 0.00 O ATOM 613 CB LYS A 36 38.133 36.083 28.914 1.00 0.00 C ATOM 614 CG LYS A 36 39.483 35.356 29.113 1.00 0.00 C ATOM 615 CD LYS A 36 39.545 34.503 30.395 1.00 0.00 C ATOM 616 CE LYS A 36 39.207 33.027 30.120 1.00 0.00 C ATOM 617 NZ LYS A 36 40.412 32.257 29.714 1.00 0.00 N ATOM 0 H LYS A 36 36.073 37.403 27.219 1.00 0.00 H new ATOM 0 HA LYS A 36 38.352 35.638 26.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 38.261 37.139 29.151 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.408 35.683 29.622 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.671 34.715 28.252 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.283 36.096 29.140 1.00 0.00 H new ATOM 0 HD2 LYS A 36 40.543 34.572 30.829 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.849 34.904 31.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.773 32.580 31.014 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.453 32.966 29.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.119 31.365 29.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.971 32.817 29.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 40.990 32.049 30.553 1.00 0.00 H new ATOM 631 N CYS A 37 36.857 33.651 27.179 1.00 0.00 N ATOM 632 CA CYS A 37 36.002 32.468 27.224 1.00 0.00 C ATOM 633 C CYS A 37 36.817 31.224 27.630 1.00 0.00 C ATOM 634 O CYS A 37 38.008 31.129 27.328 1.00 0.00 O ATOM 635 CB CYS A 37 35.293 32.280 25.868 1.00 0.00 C ATOM 636 SG CYS A 37 36.480 32.102 24.497 1.00 0.00 S ATOM 0 H CYS A 37 37.819 33.432 26.920 1.00 0.00 H new ATOM 0 HA CYS A 37 35.233 32.608 27.984 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.655 31.398 25.912 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.643 33.134 25.677 1.00 0.00 H new ATOM 0 HG CYS A 37 35.833 31.944 23.381 1.00 0.00 H new ATOM 642 N ASP A 38 36.192 30.277 28.337 1.00 0.00 N ATOM 643 CA ASP A 38 36.782 28.966 28.656 1.00 0.00 C ATOM 644 C ASP A 38 35.739 27.954 29.156 1.00 0.00 C ATOM 645 O ASP A 38 34.679 28.327 29.659 1.00 0.00 O ATOM 646 CB ASP A 38 37.907 29.116 29.705 1.00 0.00 C ATOM 647 CG ASP A 38 39.283 28.745 29.125 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.404 27.672 28.486 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.243 29.519 29.340 1.00 0.00 O ATOM 0 H ASP A 38 35.250 30.398 28.710 1.00 0.00 H new ATOM 0 HA ASP A 38 37.197 28.578 27.726 1.00 0.00 H new ATOM 0 HB2 ASP A 38 37.931 30.144 30.068 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.691 28.480 30.563 1.00 0.00 H new ATOM 654 N VAL A 39 36.071 26.660 29.061 1.00 0.00 N ATOM 655 CA VAL A 39 35.335 25.562 29.715 1.00 0.00 C ATOM 656 C VAL A 39 36.029 25.152 31.013 1.00 0.00 C ATOM 657 O VAL A 39 37.249 24.992 31.063 1.00 0.00 O ATOM 658 CB VAL A 39 35.139 24.362 28.771 1.00 0.00 C ATOM 659 CG1 VAL A 39 34.499 23.147 29.462 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.213 24.755 27.615 1.00 0.00 C ATOM 0 H VAL A 39 36.872 26.338 28.519 1.00 0.00 H new ATOM 0 HA VAL A 39 34.339 25.928 29.965 1.00 0.00 H new ATOM 0 HB VAL A 39 36.136 24.088 28.427 1.00 0.00 H new ATOM 0 HG11 VAL A 39 34.388 22.336 28.742 1.00 0.00 H new ATOM 0 HG12 VAL A 39 35.135 22.819 30.284 1.00 0.00 H new ATOM 0 HG13 VAL A 39 33.519 23.424 29.850 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.078 23.902 26.950 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.245 25.062 28.012 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.656 25.581 27.059 1.00 0.00 H new ATOM 670 N LYS A 40 35.226 24.948 32.060 1.00 0.00 N ATOM 671 CA LYS A 40 35.605 24.440 33.384 1.00 0.00 C ATOM 672 C LYS A 40 34.928 23.087 33.652 1.00 0.00 C ATOM 673 O LYS A 40 33.969 22.702 32.974 1.00 0.00 O ATOM 674 CB LYS A 40 35.255 25.501 34.443 1.00 0.00 C ATOM 675 CG LYS A 40 35.932 26.878 34.288 1.00 0.00 C ATOM 676 CD LYS A 40 37.408 26.927 34.702 1.00 0.00 C ATOM 677 CE LYS A 40 38.400 26.479 33.623 1.00 0.00 C ATOM 678 NZ LYS A 40 39.764 26.332 34.191 1.00 0.00 N ATOM 0 H LYS A 40 34.227 25.146 32.003 1.00 0.00 H new ATOM 0 HA LYS A 40 36.679 24.261 33.430 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.175 25.649 34.434 1.00 0.00 H new ATOM 0 HB3 LYS A 40 35.514 25.102 35.424 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.852 27.190 33.247 1.00 0.00 H new ATOM 0 HG3 LYS A 40 35.380 27.606 34.882 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.653 27.947 34.998 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.544 26.298 35.582 1.00 0.00 H new ATOM 0 HE2 LYS A 40 38.075 25.531 33.195 1.00 0.00 H new ATOM 0 HE3 LYS A 40 38.415 27.207 32.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 40.466 26.662 33.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 39.841 26.899 35.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 39.941 25.332 34.413 1.00 0.00 H new ATOM 692 N LYS A 41 35.458 22.349 34.630 1.00 0.00 N ATOM 693 CA LYS A 41 35.138 20.940 34.922 1.00 0.00 C ATOM 694 C LYS A 41 35.181 20.670 36.433 1.00 0.00 C ATOM 695 O LYS A 41 35.852 21.392 37.168 1.00 0.00 O ATOM 696 CB LYS A 41 36.154 20.054 34.160 1.00 0.00 C ATOM 697 CG LYS A 41 35.622 18.680 33.712 1.00 0.00 C ATOM 698 CD LYS A 41 34.585 18.736 32.577 1.00 0.00 C ATOM 699 CE LYS A 41 35.057 19.405 31.272 1.00 0.00 C ATOM 700 NZ LYS A 41 36.135 18.637 30.593 1.00 0.00 N ATOM 0 H LYS A 41 36.154 22.729 35.272 1.00 0.00 H new ATOM 0 HA LYS A 41 34.126 20.707 34.592 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.496 20.597 33.279 1.00 0.00 H new ATOM 0 HB3 LYS A 41 37.025 19.898 34.797 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.463 18.067 33.389 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.175 18.180 34.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 34.269 17.718 32.348 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.706 19.269 32.939 1.00 0.00 H new ATOM 0 HE2 LYS A 41 34.209 19.510 30.595 1.00 0.00 H new ATOM 0 HE3 LYS A 41 35.416 20.410 31.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 36.416 19.130 29.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 36.956 18.558 31.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 35.787 17.686 30.356 1.00 0.00 H new ATOM 714 N THR A 42 34.499 19.619 36.894 1.00 0.00 N ATOM 715 CA THR A 42 34.473 19.195 38.309 1.00 0.00 C ATOM 716 C THR A 42 34.691 17.685 38.466 1.00 0.00 C ATOM 717 O THR A 42 34.388 16.901 37.569 1.00 0.00 O ATOM 718 CB THR A 42 33.182 19.662 39.005 1.00 0.00 C ATOM 719 OG1 THR A 42 33.154 19.218 40.347 1.00 0.00 O ATOM 720 CG2 THR A 42 31.906 19.126 38.357 1.00 0.00 C ATOM 0 H THR A 42 33.936 19.022 36.288 1.00 0.00 H new ATOM 0 HA THR A 42 35.312 19.682 38.807 1.00 0.00 H new ATOM 0 HB THR A 42 33.200 20.749 38.923 1.00 0.00 H new ATOM 0 HG1 THR A 42 32.328 19.525 40.776 1.00 0.00 H new ATOM 0 HG21 THR A 42 31.038 19.497 38.902 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.855 19.462 37.321 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.914 18.036 38.385 1.00 0.00 H new ATOM 728 N VAL A 43 35.173 17.270 39.645 1.00 0.00 N ATOM 729 CA VAL A 43 35.322 15.860 40.064 1.00 0.00 C ATOM 730 C VAL A 43 33.967 15.123 40.082 1.00 0.00 C ATOM 731 O VAL A 43 33.917 13.909 39.868 1.00 0.00 O ATOM 732 CB VAL A 43 36.019 15.800 41.443 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.199 14.370 41.979 1.00 0.00 C ATOM 734 CG2 VAL A 43 37.414 16.441 41.384 1.00 0.00 C ATOM 0 H VAL A 43 35.482 17.926 40.362 1.00 0.00 H new ATOM 0 HA VAL A 43 35.945 15.345 39.333 1.00 0.00 H new ATOM 0 HB VAL A 43 35.356 16.347 42.114 1.00 0.00 H new ATOM 0 HG11 VAL A 43 36.694 14.405 42.949 1.00 0.00 H new ATOM 0 HG12 VAL A 43 35.223 13.896 42.087 1.00 0.00 H new ATOM 0 HG13 VAL A 43 36.807 13.794 41.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.882 16.385 42.367 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.029 15.908 40.659 1.00 0.00 H new ATOM 0 HG23 VAL A 43 37.322 17.485 41.084 1.00 0.00 H new ATOM 744 N SER A 44 32.857 15.855 40.250 1.00 0.00 N ATOM 745 CA SER A 44 31.481 15.338 40.120 1.00 0.00 C ATOM 746 C SER A 44 31.104 14.917 38.678 1.00 0.00 C ATOM 747 O SER A 44 30.099 14.238 38.457 1.00 0.00 O ATOM 748 CB SER A 44 30.513 16.389 40.683 1.00 0.00 C ATOM 749 OG SER A 44 29.194 15.887 40.815 1.00 0.00 O ATOM 0 H SER A 44 32.888 16.847 40.486 1.00 0.00 H new ATOM 0 HA SER A 44 31.410 14.415 40.696 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.871 16.725 41.656 1.00 0.00 H new ATOM 0 HB3 SER A 44 30.504 17.260 40.028 1.00 0.00 H new ATOM 0 HG SER A 44 29.068 15.133 40.202 1.00 0.00 H new ATOM 755 N GLY A 45 31.923 15.280 37.678 1.00 0.00 N ATOM 756 CA GLY A 45 31.794 14.881 36.268 1.00 0.00 C ATOM 757 C GLY A 45 31.031 15.860 35.365 1.00 0.00 C ATOM 758 O GLY A 45 30.999 15.664 34.146 1.00 0.00 O ATOM 0 H GLY A 45 32.728 15.886 37.837 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.794 14.740 35.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.294 13.913 36.228 1.00 0.00 H new ATOM 762 N ALA A 46 30.437 16.919 35.925 1.00 0.00 N ATOM 763 CA ALA A 46 29.783 17.989 35.166 1.00 0.00 C ATOM 764 C ALA A 46 30.785 18.904 34.426 1.00 0.00 C ATOM 765 O ALA A 46 31.961 18.999 34.794 1.00 0.00 O ATOM 766 CB ALA A 46 28.871 18.783 36.111 1.00 0.00 C ATOM 0 H ALA A 46 30.397 17.059 36.935 1.00 0.00 H new ATOM 0 HA ALA A 46 29.182 17.533 34.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.379 19.582 35.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.118 18.118 36.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.467 19.214 36.915 1.00 0.00 H new ATOM 772 N ALA A 47 30.293 19.601 33.399 1.00 0.00 N ATOM 773 CA ALA A 47 31.034 20.568 32.584 1.00 0.00 C ATOM 774 C ALA A 47 30.245 21.878 32.425 1.00 0.00 C ATOM 775 O ALA A 47 29.009 21.874 32.430 1.00 0.00 O ATOM 776 CB ALA A 47 31.340 19.935 31.219 1.00 0.00 C ATOM 0 H ALA A 47 29.323 19.502 33.099 1.00 0.00 H new ATOM 0 HA ALA A 47 31.970 20.819 33.083 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.891 20.646 30.604 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.940 19.036 31.361 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.406 19.673 30.722 1.00 0.00 H new ATOM 782 N PHE A 48 30.963 22.998 32.282 1.00 0.00 N ATOM 783 CA PHE A 48 30.366 24.334 32.194 1.00 0.00 C ATOM 784 C PHE A 48 31.267 25.308 31.419 1.00 0.00 C ATOM 785 O PHE A 48 32.457 25.412 31.718 1.00 0.00 O ATOM 786 CB PHE A 48 30.046 24.898 33.596 1.00 0.00 C ATOM 787 CG PHE A 48 30.339 24.002 34.793 1.00 0.00 C ATOM 788 CD1 PHE A 48 31.651 23.917 35.292 1.00 0.00 C ATOM 789 CD2 PHE A 48 29.320 23.240 35.399 1.00 0.00 C ATOM 790 CE1 PHE A 48 31.945 23.101 36.398 1.00 0.00 C ATOM 791 CE2 PHE A 48 29.612 22.420 36.502 1.00 0.00 C ATOM 792 CZ PHE A 48 30.920 22.362 37.009 1.00 0.00 C ATOM 0 H PHE A 48 31.981 23.002 32.224 1.00 0.00 H new ATOM 0 HA PHE A 48 29.431 24.230 31.643 1.00 0.00 H new ATOM 0 HB2 PHE A 48 30.606 25.824 33.723 1.00 0.00 H new ATOM 0 HB3 PHE A 48 28.988 25.159 33.621 1.00 0.00 H new ATOM 0 HD1 PHE A 48 32.440 24.484 34.821 1.00 0.00 H new ATOM 0 HD2 PHE A 48 28.312 23.286 35.014 1.00 0.00 H new ATOM 0 HE1 PHE A 48 32.955 23.043 36.776 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.829 21.834 36.960 1.00 0.00 H new ATOM 0 HZ PHE A 48 31.138 21.748 37.870 1.00 0.00 H new ATOM 802 N ALA A 49 30.715 26.045 30.450 1.00 0.00 N ATOM 803 CA ALA A 49 31.420 27.152 29.793 1.00 0.00 C ATOM 804 C ALA A 49 31.130 28.500 30.480 1.00 0.00 C ATOM 805 O ALA A 49 30.016 28.733 30.955 1.00 0.00 O ATOM 806 CB ALA A 49 31.095 27.179 28.292 1.00 0.00 C ATOM 0 H ALA A 49 29.769 25.892 30.099 1.00 0.00 H new ATOM 0 HA ALA A 49 32.492 26.983 29.895 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.626 28.006 27.820 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.407 26.240 27.835 1.00 0.00 H new ATOM 0 HB3 ALA A 49 30.022 27.311 28.154 1.00 0.00 H new ATOM 812 N PHE A 50 32.129 29.386 30.491 1.00 0.00 N ATOM 813 CA PHE A 50 32.092 30.747 31.039 1.00 0.00 C ATOM 814 C PHE A 50 32.594 31.736 29.977 1.00 0.00 C ATOM 815 O PHE A 50 33.650 31.503 29.382 1.00 0.00 O ATOM 816 CB PHE A 50 32.994 30.840 32.282 1.00 0.00 C ATOM 817 CG PHE A 50 32.537 30.081 33.515 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.680 28.681 33.585 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.033 30.785 34.628 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.301 27.994 34.748 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.678 30.095 35.800 1.00 0.00 C ATOM 822 CZ PHE A 50 31.810 28.698 35.856 1.00 0.00 C ATOM 0 H PHE A 50 33.041 29.160 30.094 1.00 0.00 H new ATOM 0 HA PHE A 50 31.067 30.990 31.320 1.00 0.00 H new ATOM 0 HB2 PHE A 50 33.986 30.481 32.010 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.098 31.892 32.549 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.082 28.137 32.743 1.00 0.00 H new ATOM 0 HD2 PHE A 50 31.919 31.858 34.580 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.388 26.918 34.790 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.305 30.638 36.656 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.533 28.166 36.754 1.00 0.00 H new ATOM 832 N ILE A 51 31.869 32.839 29.747 1.00 0.00 N ATOM 833 CA ILE A 51 32.212 33.877 28.755 1.00 0.00 C ATOM 834 C ILE A 51 31.947 35.288 29.326 1.00 0.00 C ATOM 835 O ILE A 51 30.986 35.496 30.071 1.00 0.00 O ATOM 836 CB ILE A 51 31.483 33.644 27.395 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.710 32.243 26.772 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.896 34.705 26.359 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.618 31.224 27.129 1.00 0.00 C ATOM 0 H ILE A 51 31.008 33.043 30.255 1.00 0.00 H new ATOM 0 HA ILE A 51 33.279 33.803 28.547 1.00 0.00 H new ATOM 0 HB ILE A 51 30.424 33.722 27.639 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.762 32.341 25.688 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.675 31.860 27.104 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.374 34.520 25.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.635 35.696 26.730 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.972 34.651 26.192 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.845 30.268 26.658 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.580 31.095 28.211 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.653 31.585 26.772 1.00 0.00 H new ATOM 851 N GLU A 52 32.792 36.261 28.963 1.00 0.00 N ATOM 852 CA GLU A 52 32.696 37.678 29.350 1.00 0.00 C ATOM 853 C GLU A 52 32.626 38.602 28.117 1.00 0.00 C ATOM 854 O GLU A 52 33.498 38.530 27.245 1.00 0.00 O ATOM 855 CB GLU A 52 33.904 38.027 30.238 1.00 0.00 C ATOM 856 CG GLU A 52 33.874 39.460 30.789 1.00 0.00 C ATOM 857 CD GLU A 52 35.165 39.788 31.566 1.00 0.00 C ATOM 858 OE1 GLU A 52 36.261 39.796 30.956 1.00 0.00 O ATOM 859 OE2 GLU A 52 35.090 40.066 32.788 1.00 0.00 O ATOM 0 H GLU A 52 33.597 36.076 28.365 1.00 0.00 H new ATOM 0 HA GLU A 52 31.772 37.835 29.907 1.00 0.00 H new ATOM 0 HB2 GLU A 52 33.944 37.327 31.073 1.00 0.00 H new ATOM 0 HB3 GLU A 52 34.819 37.888 29.662 1.00 0.00 H new ATOM 0 HG2 GLU A 52 33.752 40.166 29.967 1.00 0.00 H new ATOM 0 HG3 GLU A 52 33.012 39.582 31.444 1.00 0.00 H new ATOM 866 N PHE A 53 31.632 39.503 28.064 1.00 0.00 N ATOM 867 CA PHE A 53 31.520 40.556 27.036 1.00 0.00 C ATOM 868 C PHE A 53 31.728 41.969 27.601 1.00 0.00 C ATOM 869 O PHE A 53 31.513 42.208 28.789 1.00 0.00 O ATOM 870 CB PHE A 53 30.168 40.537 26.304 1.00 0.00 C ATOM 871 CG PHE A 53 29.594 39.202 25.872 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.355 38.286 25.133 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.242 38.922 26.136 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.767 37.101 24.655 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.648 37.745 25.667 1.00 0.00 C ATOM 876 CZ PHE A 53 28.411 36.837 24.922 1.00 0.00 C ATOM 0 H PHE A 53 30.871 39.523 28.743 1.00 0.00 H new ATOM 0 HA PHE A 53 32.319 40.324 26.332 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.435 41.018 26.951 1.00 0.00 H new ATOM 0 HB3 PHE A 53 30.265 41.159 25.414 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.396 38.491 24.930 1.00 0.00 H new ATOM 0 HD2 PHE A 53 27.654 39.624 26.708 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.354 36.396 24.085 1.00 0.00 H new ATOM 0 HE2 PHE A 53 26.609 37.538 25.878 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.957 35.930 24.551 1.00 0.00 H new ATOM 886 N GLU A 54 32.067 42.933 26.741 1.00 0.00 N ATOM 887 CA GLU A 54 32.358 44.322 27.131 1.00 0.00 C ATOM 888 C GLU A 54 31.153 45.085 27.721 1.00 0.00 C ATOM 889 O GLU A 54 31.301 45.777 28.730 1.00 0.00 O ATOM 890 CB GLU A 54 32.942 45.049 25.904 1.00 0.00 C ATOM 891 CG GLU A 54 33.445 46.461 26.233 1.00 0.00 C ATOM 892 CD GLU A 54 34.265 47.089 25.083 1.00 0.00 C ATOM 893 OE1 GLU A 54 33.972 46.832 23.889 1.00 0.00 O ATOM 894 OE2 GLU A 54 35.204 47.870 25.370 1.00 0.00 O ATOM 0 H GLU A 54 32.149 42.771 25.737 1.00 0.00 H new ATOM 0 HA GLU A 54 33.079 44.295 27.948 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.764 44.461 25.496 1.00 0.00 H new ATOM 0 HB3 GLU A 54 32.180 45.112 25.128 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.592 47.102 26.457 1.00 0.00 H new ATOM 0 HG3 GLU A 54 34.060 46.422 27.132 1.00 0.00 H new ATOM 901 N ASP A 55 29.958 44.938 27.137 1.00 0.00 N ATOM 902 CA ASP A 55 28.728 45.637 27.542 1.00 0.00 C ATOM 903 C ASP A 55 27.662 44.671 28.083 1.00 0.00 C ATOM 904 O ASP A 55 27.265 43.723 27.402 1.00 0.00 O ATOM 905 CB ASP A 55 28.159 46.454 26.366 1.00 0.00 C ATOM 906 CG ASP A 55 29.062 47.610 25.899 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.707 48.276 26.742 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.080 47.896 24.678 1.00 0.00 O ATOM 0 H ASP A 55 29.814 44.311 26.346 1.00 0.00 H new ATOM 0 HA ASP A 55 28.996 46.314 28.353 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.984 45.783 25.525 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.190 46.860 26.657 1.00 0.00 H new ATOM 913 N ALA A 56 27.152 44.934 29.294 1.00 0.00 N ATOM 914 CA ALA A 56 26.122 44.110 29.935 1.00 0.00 C ATOM 915 C ALA A 56 24.749 44.241 29.252 1.00 0.00 C ATOM 916 O ALA A 56 24.152 43.239 28.862 1.00 0.00 O ATOM 917 CB ALA A 56 26.041 44.487 31.421 1.00 0.00 C ATOM 0 H ALA A 56 27.446 45.731 29.859 1.00 0.00 H new ATOM 0 HA ALA A 56 26.407 43.063 29.833 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.278 43.881 31.909 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.006 44.307 31.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.782 45.541 31.515 1.00 0.00 H new ATOM 923 N ARG A 57 24.251 45.476 29.085 1.00 0.00 N ATOM 924 CA ARG A 57 22.885 45.757 28.590 1.00 0.00 C ATOM 925 C ARG A 57 22.642 45.393 27.119 1.00 0.00 C ATOM 926 O ARG A 57 21.495 45.191 26.727 1.00 0.00 O ATOM 927 CB ARG A 57 22.466 47.205 28.918 1.00 0.00 C ATOM 928 CG ARG A 57 22.983 48.328 27.996 1.00 0.00 C ATOM 929 CD ARG A 57 24.510 48.490 27.983 1.00 0.00 C ATOM 930 NE ARG A 57 24.924 49.722 27.282 1.00 0.00 N ATOM 931 CZ ARG A 57 25.039 49.921 25.978 1.00 0.00 C ATOM 932 NH1 ARG A 57 24.752 49.003 25.098 1.00 0.00 N ATOM 933 NH2 ARG A 57 25.446 51.072 25.526 1.00 0.00 N ATOM 0 H ARG A 57 24.787 46.319 29.291 1.00 0.00 H new ATOM 0 HA ARG A 57 22.230 45.078 29.136 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.377 47.247 28.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 22.794 47.427 29.933 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.643 48.131 26.979 1.00 0.00 H new ATOM 0 HG3 ARG A 57 22.533 49.271 28.306 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.882 48.512 29.007 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.963 47.626 27.498 1.00 0.00 H new ATOM 0 HE ARG A 57 25.150 50.519 27.877 1.00 0.00 H new ATOM 0 HH11 ARG A 57 24.424 48.087 25.405 1.00 0.00 H new ATOM 0 HH12 ARG A 57 24.856 49.201 24.103 1.00 0.00 H new ATOM 0 HH21 ARG A 57 25.677 51.823 26.177 1.00 0.00 H new ATOM 0 HH22 ARG A 57 25.534 51.223 24.521 1.00 0.00 H new ATOM 947 N ASP A 58 23.704 45.275 26.322 1.00 0.00 N ATOM 948 CA ASP A 58 23.631 44.780 24.938 1.00 0.00 C ATOM 949 C ASP A 58 23.316 43.269 24.905 1.00 0.00 C ATOM 950 O ASP A 58 22.436 42.811 24.173 1.00 0.00 O ATOM 951 CB ASP A 58 24.968 45.087 24.238 1.00 0.00 C ATOM 952 CG ASP A 58 24.950 44.893 22.708 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.861 44.901 22.087 1.00 0.00 O ATOM 954 OD2 ASP A 58 26.050 44.802 22.113 1.00 0.00 O ATOM 0 H ASP A 58 24.649 45.521 26.617 1.00 0.00 H new ATOM 0 HA ASP A 58 22.821 45.283 24.411 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.250 46.117 24.457 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.741 44.447 24.663 1.00 0.00 H new ATOM 959 N ALA A 59 23.997 42.504 25.763 1.00 0.00 N ATOM 960 CA ALA A 59 23.876 41.052 25.875 1.00 0.00 C ATOM 961 C ALA A 59 22.812 40.564 26.884 1.00 0.00 C ATOM 962 O ALA A 59 22.511 39.371 26.924 1.00 0.00 O ATOM 963 CB ALA A 59 25.255 40.514 26.230 1.00 0.00 C ATOM 0 H ALA A 59 24.671 42.895 26.421 1.00 0.00 H new ATOM 0 HA ALA A 59 23.521 40.669 24.918 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.209 39.429 26.324 1.00 0.00 H new ATOM 0 HB2 ALA A 59 25.963 40.781 25.445 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.582 40.946 27.176 1.00 0.00 H new ATOM 969 N ALA A 60 22.202 41.450 27.677 1.00 0.00 N ATOM 970 CA ALA A 60 21.106 41.104 28.591 1.00 0.00 C ATOM 971 C ALA A 60 19.896 40.478 27.862 1.00 0.00 C ATOM 972 O ALA A 60 19.191 39.635 28.423 1.00 0.00 O ATOM 973 CB ALA A 60 20.708 42.368 29.360 1.00 0.00 C ATOM 0 H ALA A 60 22.457 42.437 27.704 1.00 0.00 H new ATOM 0 HA ALA A 60 21.453 40.337 29.284 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.894 42.135 30.046 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.565 42.735 29.925 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.382 43.134 28.657 1.00 0.00 H new ATOM 979 N ASP A 61 19.705 40.820 26.580 1.00 0.00 N ATOM 980 CA ASP A 61 18.723 40.190 25.689 1.00 0.00 C ATOM 981 C ASP A 61 18.997 38.701 25.399 1.00 0.00 C ATOM 982 O ASP A 61 18.068 37.971 25.053 1.00 0.00 O ATOM 983 CB ASP A 61 18.612 40.997 24.387 1.00 0.00 C ATOM 984 CG ASP A 61 17.917 42.360 24.565 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.126 42.526 25.528 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.106 43.248 23.700 1.00 0.00 O ATOM 0 H ASP A 61 20.241 41.559 26.125 1.00 0.00 H new ATOM 0 HA ASP A 61 17.770 40.204 26.217 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.611 41.158 23.983 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.061 40.411 23.652 1.00 0.00 H new ATOM 991 N ALA A 62 20.237 38.222 25.588 1.00 0.00 N ATOM 992 CA ALA A 62 20.561 36.796 25.594 1.00 0.00 C ATOM 993 C ALA A 62 20.088 36.134 26.897 1.00 0.00 C ATOM 994 O ALA A 62 19.321 35.172 26.850 1.00 0.00 O ATOM 995 CB ALA A 62 22.073 36.612 25.392 1.00 0.00 C ATOM 0 H ALA A 62 21.046 38.823 25.742 1.00 0.00 H new ATOM 0 HA ALA A 62 20.037 36.307 24.773 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.314 35.549 25.397 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.368 37.047 24.437 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.611 37.109 26.199 1.00 0.00 H new ATOM 1001 N ILE A 63 20.480 36.670 28.063 1.00 0.00 N ATOM 1002 CA ILE A 63 20.132 36.124 29.388 1.00 0.00 C ATOM 1003 C ILE A 63 18.617 35.917 29.529 1.00 0.00 C ATOM 1004 O ILE A 63 18.195 34.832 29.935 1.00 0.00 O ATOM 1005 CB ILE A 63 20.710 37.026 30.511 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.226 36.790 30.714 1.00 0.00 C ATOM 1007 CG2 ILE A 63 19.976 36.893 31.859 1.00 0.00 C ATOM 1008 CD1 ILE A 63 22.616 35.460 31.381 1.00 0.00 C ATOM 0 H ILE A 63 21.058 37.509 28.115 1.00 0.00 H new ATOM 0 HA ILE A 63 20.588 35.139 29.488 1.00 0.00 H new ATOM 0 HB ILE A 63 20.548 38.045 30.160 1.00 0.00 H new ATOM 0 HG12 ILE A 63 22.716 36.844 29.742 1.00 0.00 H new ATOM 0 HG13 ILE A 63 22.624 37.607 31.317 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.438 37.554 32.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.929 37.168 31.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.041 35.863 32.208 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.701 35.403 31.472 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.165 35.404 32.372 1.00 0.00 H new ATOM 0 HD13 ILE A 63 22.259 34.629 30.772 1.00 0.00 H new ATOM 1020 N LYS A 64 17.799 36.891 29.110 1.00 0.00 N ATOM 1021 CA LYS A 64 16.323 36.816 29.166 1.00 0.00 C ATOM 1022 C LYS A 64 15.663 35.826 28.183 1.00 0.00 C ATOM 1023 O LYS A 64 14.433 35.748 28.143 1.00 0.00 O ATOM 1024 CB LYS A 64 15.719 38.235 29.158 1.00 0.00 C ATOM 1025 CG LYS A 64 15.886 39.031 27.852 1.00 0.00 C ATOM 1026 CD LYS A 64 14.736 38.827 26.851 1.00 0.00 C ATOM 1027 CE LYS A 64 14.848 39.686 25.581 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.734 41.146 25.849 1.00 0.00 N ATOM 0 H LYS A 64 18.143 37.767 28.716 1.00 0.00 H new ATOM 0 HA LYS A 64 16.072 36.354 30.121 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.655 38.157 29.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.172 38.806 29.969 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.964 40.092 28.091 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.824 38.741 27.378 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.701 37.776 26.564 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.792 39.053 27.347 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.804 39.485 25.098 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.068 39.390 24.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.953 41.542 25.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.547 41.300 26.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.623 41.618 25.586 1.00 0.00 H new ATOM 1042 N GLU A 65 16.442 35.059 27.409 1.00 0.00 N ATOM 1043 CA GLU A 65 15.964 33.854 26.704 1.00 0.00 C ATOM 1044 C GLU A 65 16.840 32.592 26.887 1.00 0.00 C ATOM 1045 O GLU A 65 16.372 31.490 26.575 1.00 0.00 O ATOM 1046 CB GLU A 65 15.674 34.159 25.220 1.00 0.00 C ATOM 1047 CG GLU A 65 16.912 34.338 24.322 1.00 0.00 C ATOM 1048 CD GLU A 65 16.702 33.697 22.937 1.00 0.00 C ATOM 1049 OE1 GLU A 65 15.784 34.123 22.193 1.00 0.00 O ATOM 1050 OE2 GLU A 65 17.456 32.757 22.583 1.00 0.00 O ATOM 0 H GLU A 65 17.430 35.256 27.251 1.00 0.00 H new ATOM 0 HA GLU A 65 15.026 33.589 27.193 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.067 33.350 24.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.073 35.067 25.165 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.127 35.400 24.204 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.780 33.889 24.804 1.00 0.00 H new ATOM 1057 N LYS A 66 18.076 32.699 27.404 1.00 0.00 N ATOM 1058 CA LYS A 66 18.865 31.541 27.885 1.00 0.00 C ATOM 1059 C LYS A 66 18.367 31.032 29.251 1.00 0.00 C ATOM 1060 O LYS A 66 18.575 29.863 29.577 1.00 0.00 O ATOM 1061 CB LYS A 66 20.368 31.880 27.990 1.00 0.00 C ATOM 1062 CG LYS A 66 21.147 32.292 26.724 1.00 0.00 C ATOM 1063 CD LYS A 66 20.971 31.412 25.474 1.00 0.00 C ATOM 1064 CE LYS A 66 19.741 31.855 24.676 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.688 31.262 23.317 1.00 0.00 N ATOM 0 H LYS A 66 18.561 33.591 27.502 1.00 0.00 H new ATOM 0 HA LYS A 66 18.727 30.753 27.145 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.470 32.689 28.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.870 31.010 28.413 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.856 33.310 26.464 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.208 32.317 26.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.861 31.477 24.848 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.864 30.368 25.769 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.840 31.577 25.223 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.741 32.942 24.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.893 31.675 22.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.577 31.462 22.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.557 30.233 23.392 1.00 0.00 H new ATOM 1079 N ASP A 67 17.731 31.894 30.048 1.00 0.00 N ATOM 1080 CA ASP A 67 17.118 31.565 31.345 1.00 0.00 C ATOM 1081 C ASP A 67 15.918 30.587 31.241 1.00 0.00 C ATOM 1082 O ASP A 67 15.552 30.112 30.162 1.00 0.00 O ATOM 1083 CB ASP A 67 16.741 32.860 32.092 1.00 0.00 C ATOM 1084 CG ASP A 67 15.603 33.702 31.474 1.00 0.00 C ATOM 1085 OD1 ASP A 67 15.074 33.370 30.390 1.00 0.00 O ATOM 1086 OD2 ASP A 67 15.208 34.702 32.120 1.00 0.00 O ATOM 0 H ASP A 67 17.623 32.878 29.802 1.00 0.00 H new ATOM 0 HA ASP A 67 17.868 31.025 31.923 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.457 32.596 33.111 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.631 33.486 32.161 1.00 0.00 H new ATOM 1091 N GLY A 68 15.330 30.241 32.393 1.00 0.00 N ATOM 1092 CA GLY A 68 14.380 29.128 32.519 1.00 0.00 C ATOM 1093 C GLY A 68 15.110 27.784 32.612 1.00 0.00 C ATOM 1094 O GLY A 68 14.872 26.879 31.808 1.00 0.00 O ATOM 0 H GLY A 68 15.502 30.730 33.272 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.763 29.272 33.406 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.708 29.121 31.661 1.00 0.00 H new ATOM 1098 N CYS A 69 16.042 27.682 33.567 1.00 0.00 N ATOM 1099 CA CYS A 69 16.857 26.492 33.824 1.00 0.00 C ATOM 1100 C CYS A 69 16.009 25.242 34.140 1.00 0.00 C ATOM 1101 O CYS A 69 14.897 25.335 34.672 1.00 0.00 O ATOM 1102 CB CYS A 69 17.855 26.811 34.952 1.00 0.00 C ATOM 1103 SG CYS A 69 17.010 27.360 36.468 1.00 0.00 S ATOM 0 H CYS A 69 16.255 28.451 34.202 1.00 0.00 H new ATOM 0 HA CYS A 69 17.403 26.242 32.914 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.453 25.926 35.169 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.544 27.587 34.619 1.00 0.00 H new ATOM 0 HG CYS A 69 17.892 27.614 37.389 1.00 0.00 H new ATOM 1109 N ASP A 70 16.539 24.061 33.810 1.00 0.00 N ATOM 1110 CA ASP A 70 15.848 22.777 33.969 1.00 0.00 C ATOM 1111 C ASP A 70 16.815 21.621 34.286 1.00 0.00 C ATOM 1112 O ASP A 70 17.991 21.641 33.908 1.00 0.00 O ATOM 1113 CB ASP A 70 15.006 22.487 32.713 1.00 0.00 C ATOM 1114 CG ASP A 70 13.870 21.474 32.941 1.00 0.00 C ATOM 1115 OD1 ASP A 70 13.566 21.119 34.105 1.00 0.00 O ATOM 1116 OD2 ASP A 70 13.269 21.037 31.933 1.00 0.00 O ATOM 0 H ASP A 70 17.476 23.968 33.418 1.00 0.00 H new ATOM 0 HA ASP A 70 15.185 22.853 34.831 1.00 0.00 H new ATOM 0 HB2 ASP A 70 14.578 23.422 32.351 1.00 0.00 H new ATOM 0 HB3 ASP A 70 15.662 22.111 31.927 1.00 0.00 H new ATOM 1121 N PHE A 71 16.314 20.622 35.017 1.00 0.00 N ATOM 1122 CA PHE A 71 17.106 19.577 35.675 1.00 0.00 C ATOM 1123 C PHE A 71 16.300 18.271 35.850 1.00 0.00 C ATOM 1124 O PHE A 71 15.130 18.192 35.473 1.00 0.00 O ATOM 1125 CB PHE A 71 17.615 20.128 37.023 1.00 0.00 C ATOM 1126 CG PHE A 71 19.042 19.732 37.355 1.00 0.00 C ATOM 1127 CD1 PHE A 71 20.106 20.370 36.691 1.00 0.00 C ATOM 1128 CD2 PHE A 71 19.314 18.764 38.342 1.00 0.00 C ATOM 1129 CE1 PHE A 71 21.435 20.057 37.020 1.00 0.00 C ATOM 1130 CE2 PHE A 71 20.646 18.443 38.662 1.00 0.00 C ATOM 1131 CZ PHE A 71 21.709 19.094 38.010 1.00 0.00 C ATOM 0 H PHE A 71 15.312 20.514 35.173 1.00 0.00 H new ATOM 0 HA PHE A 71 17.958 19.316 35.048 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.545 21.216 37.008 1.00 0.00 H new ATOM 0 HB3 PHE A 71 16.957 19.777 37.818 1.00 0.00 H new ATOM 0 HD1 PHE A 71 19.900 21.103 35.925 1.00 0.00 H new ATOM 0 HD2 PHE A 71 18.501 18.269 38.852 1.00 0.00 H new ATOM 0 HE1 PHE A 71 22.248 20.556 36.513 1.00 0.00 H new ATOM 0 HE2 PHE A 71 20.853 17.694 39.411 1.00 0.00 H new ATOM 0 HZ PHE A 71 22.731 18.856 38.268 1.00 0.00 H new ATOM 1141 N GLU A 72 16.922 17.237 36.432 1.00 0.00 N ATOM 1142 CA GLU A 72 16.304 15.930 36.761 1.00 0.00 C ATOM 1143 C GLU A 72 15.733 15.141 35.555 1.00 0.00 C ATOM 1144 O GLU A 72 14.953 14.197 35.721 1.00 0.00 O ATOM 1145 CB GLU A 72 15.287 16.065 37.917 1.00 0.00 C ATOM 1146 CG GLU A 72 15.872 16.734 39.172 1.00 0.00 C ATOM 1147 CD GLU A 72 14.933 16.617 40.392 1.00 0.00 C ATOM 1148 OE1 GLU A 72 13.697 16.794 40.253 1.00 0.00 O ATOM 1149 OE2 GLU A 72 15.431 16.365 41.516 1.00 0.00 O ATOM 0 H GLU A 72 17.905 17.282 36.699 1.00 0.00 H new ATOM 0 HA GLU A 72 17.130 15.307 37.103 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.431 16.644 37.572 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.916 15.075 38.182 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.832 16.276 39.410 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.064 17.787 38.964 1.00 0.00 H new ATOM 1156 N GLY A 73 16.128 15.506 34.330 1.00 0.00 N ATOM 1157 CA GLY A 73 15.721 14.855 33.079 1.00 0.00 C ATOM 1158 C GLY A 73 16.307 15.579 31.867 1.00 0.00 C ATOM 1159 O GLY A 73 17.108 15.010 31.119 1.00 0.00 O ATOM 0 H GLY A 73 16.762 16.290 34.177 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.052 13.816 33.081 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.633 14.843 33.009 1.00 0.00 H new ATOM 1163 N ASN A 74 15.985 16.868 31.728 1.00 0.00 N ATOM 1164 CA ASN A 74 16.740 17.814 30.899 1.00 0.00 C ATOM 1165 C ASN A 74 18.011 18.287 31.635 1.00 0.00 C ATOM 1166 O ASN A 74 18.093 18.197 32.862 1.00 0.00 O ATOM 1167 CB ASN A 74 15.829 18.987 30.495 1.00 0.00 C ATOM 1168 CG ASN A 74 14.629 18.561 29.654 1.00 0.00 C ATOM 1169 OD1 ASN A 74 14.706 17.685 28.805 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.485 19.170 29.851 1.00 0.00 N ATOM 0 H ASN A 74 15.182 17.290 32.194 1.00 0.00 H new ATOM 0 HA ASN A 74 17.071 17.318 29.987 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.473 19.487 31.395 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.415 19.716 29.935 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.668 18.912 29.298 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.412 19.902 30.557 1.00 0.00 H new ATOM 1177 N LYS A 75 19.001 18.794 30.887 1.00 0.00 N ATOM 1178 CA LYS A 75 20.331 19.207 31.382 1.00 0.00 C ATOM 1179 C LYS A 75 20.718 20.580 30.801 1.00 0.00 C ATOM 1180 O LYS A 75 21.436 20.674 29.803 1.00 0.00 O ATOM 1181 CB LYS A 75 21.360 18.085 31.075 1.00 0.00 C ATOM 1182 CG LYS A 75 21.918 17.359 32.310 1.00 0.00 C ATOM 1183 CD LYS A 75 20.908 16.459 33.046 1.00 0.00 C ATOM 1184 CE LYS A 75 20.427 17.038 34.387 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.475 16.968 35.440 1.00 0.00 N ATOM 0 H LYS A 75 18.898 18.935 29.882 1.00 0.00 H new ATOM 0 HA LYS A 75 20.314 19.338 32.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.889 17.350 30.422 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.192 18.518 30.520 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.768 16.750 32.002 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.297 18.103 33.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.045 16.294 32.401 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.364 15.485 33.224 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.126 18.076 34.245 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.544 16.493 34.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.414 17.810 36.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.331 16.114 36.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.414 16.930 34.994 1.00 0.00 H new ATOM 1199 N LEU A 76 20.196 21.652 31.405 1.00 0.00 N ATOM 1200 CA LEU A 76 20.472 23.051 31.035 1.00 0.00 C ATOM 1201 C LEU A 76 20.287 23.971 32.253 1.00 0.00 C ATOM 1202 O LEU A 76 19.162 24.339 32.603 1.00 0.00 O ATOM 1203 CB LEU A 76 19.546 23.476 29.863 1.00 0.00 C ATOM 1204 CG LEU A 76 20.225 23.512 28.479 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.170 23.684 27.387 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.215 24.678 28.368 1.00 0.00 C ATOM 0 H LEU A 76 19.549 21.572 32.190 1.00 0.00 H new ATOM 0 HA LEU A 76 21.507 23.140 30.705 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.701 22.789 29.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.142 24.465 30.079 1.00 0.00 H new ATOM 0 HG LEU A 76 20.762 22.571 28.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.656 23.709 26.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.470 22.849 27.422 1.00 0.00 H new ATOM 0 HD13 LEU A 76 18.630 24.617 27.547 1.00 0.00 H new ATOM 0 HD21 LEU A 76 21.675 24.672 27.380 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.686 25.620 28.517 1.00 0.00 H new ATOM 0 HD23 LEU A 76 21.989 24.572 29.128 1.00 0.00 H new ATOM 1218 N ARG A 77 21.393 24.378 32.889 1.00 0.00 N ATOM 1219 CA ARG A 77 21.423 25.409 33.942 1.00 0.00 C ATOM 1220 C ARG A 77 22.079 26.691 33.420 1.00 0.00 C ATOM 1221 O ARG A 77 23.105 26.626 32.748 1.00 0.00 O ATOM 1222 CB ARG A 77 22.091 24.837 35.207 1.00 0.00 C ATOM 1223 CG ARG A 77 22.128 25.845 36.369 1.00 0.00 C ATOM 1224 CD ARG A 77 22.512 25.204 37.711 1.00 0.00 C ATOM 1225 NE ARG A 77 21.382 24.439 38.283 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.913 24.494 39.520 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.499 25.164 40.469 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.821 23.856 39.831 1.00 0.00 N ATOM 0 H ARG A 77 22.315 23.993 32.683 1.00 0.00 H new ATOM 0 HA ARG A 77 20.409 25.691 34.224 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.553 23.944 35.524 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.108 24.528 34.967 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.841 26.636 36.134 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.150 26.316 36.465 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.367 24.543 37.570 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.821 25.979 38.412 1.00 0.00 H new ATOM 0 HE ARG A 77 20.909 23.794 37.650 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.359 25.677 40.275 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.099 25.176 41.407 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.327 23.314 39.122 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.459 23.898 40.784 1.00 0.00 H new ATOM 1242 N VAL A 78 21.500 27.852 33.730 1.00 0.00 N ATOM 1243 CA VAL A 78 22.000 29.174 33.309 1.00 0.00 C ATOM 1244 C VAL A 78 21.884 30.175 34.456 1.00 0.00 C ATOM 1245 O VAL A 78 20.842 30.271 35.105 1.00 0.00 O ATOM 1246 CB VAL A 78 21.285 29.689 32.038 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.767 31.087 31.628 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.524 28.745 30.851 1.00 0.00 C ATOM 0 H VAL A 78 20.651 27.907 34.293 1.00 0.00 H new ATOM 0 HA VAL A 78 23.053 29.063 33.051 1.00 0.00 H new ATOM 0 HB VAL A 78 20.225 29.731 32.287 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.237 31.406 30.731 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.570 31.791 32.436 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.838 31.058 31.425 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.010 29.131 29.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.593 28.679 30.648 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.139 27.754 31.091 1.00 0.00 H new ATOM 1258 N GLU A 79 22.964 30.914 34.702 1.00 0.00 N ATOM 1259 CA GLU A 79 23.099 31.926 35.760 1.00 0.00 C ATOM 1260 C GLU A 79 24.249 32.890 35.411 1.00 0.00 C ATOM 1261 O GLU A 79 25.146 32.538 34.638 1.00 0.00 O ATOM 1262 CB GLU A 79 23.308 31.204 37.115 1.00 0.00 C ATOM 1263 CG GLU A 79 23.738 32.033 38.337 1.00 0.00 C ATOM 1264 CD GLU A 79 22.735 33.118 38.779 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.144 33.809 37.918 1.00 0.00 O ATOM 1266 OE2 GLU A 79 22.579 33.321 40.005 1.00 0.00 O ATOM 0 H GLU A 79 23.813 30.822 34.144 1.00 0.00 H new ATOM 0 HA GLU A 79 22.196 32.531 35.842 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.375 30.702 37.369 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.057 30.427 36.963 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.909 31.356 39.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.692 32.511 38.114 1.00 0.00 H new ATOM 1273 N VAL A 80 24.237 34.108 35.961 1.00 0.00 N ATOM 1274 CA VAL A 80 25.342 35.078 35.831 1.00 0.00 C ATOM 1275 C VAL A 80 26.491 34.739 36.809 1.00 0.00 C ATOM 1276 O VAL A 80 26.276 34.767 38.023 1.00 0.00 O ATOM 1277 CB VAL A 80 24.847 36.534 35.990 1.00 0.00 C ATOM 1278 CG1 VAL A 80 23.925 36.907 34.821 1.00 0.00 C ATOM 1279 CG2 VAL A 80 24.105 36.872 37.289 1.00 0.00 C ATOM 0 H VAL A 80 23.455 34.457 36.515 1.00 0.00 H new ATOM 0 HA VAL A 80 25.742 34.998 34.820 1.00 0.00 H new ATOM 0 HB VAL A 80 25.771 37.112 36.011 1.00 0.00 H new ATOM 0 HG11 VAL A 80 23.581 37.934 34.942 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.472 36.815 33.883 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.066 36.236 34.807 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.811 37.922 37.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.216 36.247 37.373 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.760 36.688 38.141 1.00 0.00 H new ATOM 1289 N PRO A 81 27.712 34.402 36.336 1.00 0.00 N ATOM 1290 CA PRO A 81 28.793 33.929 37.209 1.00 0.00 C ATOM 1291 C PRO A 81 29.517 35.051 37.973 1.00 0.00 C ATOM 1292 O PRO A 81 29.760 34.924 39.174 1.00 0.00 O ATOM 1293 CB PRO A 81 29.736 33.146 36.292 1.00 0.00 C ATOM 1294 CG PRO A 81 29.543 33.788 34.923 1.00 0.00 C ATOM 1295 CD PRO A 81 28.073 34.186 34.940 1.00 0.00 C ATOM 0 HA PRO A 81 28.391 33.309 38.010 1.00 0.00 H new ATOM 0 HB2 PRO A 81 30.771 33.223 36.626 1.00 0.00 H new ATOM 0 HB3 PRO A 81 29.485 32.086 36.274 1.00 0.00 H new ATOM 0 HG2 PRO A 81 30.194 34.651 34.786 1.00 0.00 H new ATOM 0 HG3 PRO A 81 29.764 33.091 34.115 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.911 35.091 34.354 1.00 0.00 H new ATOM 0 HD3 PRO A 81 27.456 33.404 34.497 1.00 0.00 H new ATOM 1303 N PHE A 82 29.858 36.159 37.301 1.00 0.00 N ATOM 1304 CA PHE A 82 30.665 37.246 37.887 1.00 0.00 C ATOM 1305 C PHE A 82 29.832 38.236 38.727 1.00 0.00 C ATOM 1306 O PHE A 82 30.344 38.810 39.683 1.00 0.00 O ATOM 1307 CB PHE A 82 31.420 38.001 36.773 1.00 0.00 C ATOM 1308 CG PHE A 82 31.927 37.159 35.611 1.00 0.00 C ATOM 1309 CD1 PHE A 82 32.624 35.954 35.834 1.00 0.00 C ATOM 1310 CD2 PHE A 82 31.652 37.564 34.289 1.00 0.00 C ATOM 1311 CE1 PHE A 82 32.992 35.140 34.747 1.00 0.00 C ATOM 1312 CE2 PHE A 82 32.007 36.742 33.207 1.00 0.00 C ATOM 1313 CZ PHE A 82 32.664 35.524 33.436 1.00 0.00 C ATOM 0 H PHE A 82 29.583 36.330 36.334 1.00 0.00 H new ATOM 0 HA PHE A 82 31.375 36.778 38.569 1.00 0.00 H new ATOM 0 HB2 PHE A 82 30.760 38.772 36.375 1.00 0.00 H new ATOM 0 HB3 PHE A 82 32.272 38.512 37.223 1.00 0.00 H new ATOM 0 HD1 PHE A 82 32.876 35.655 36.841 1.00 0.00 H new ATOM 0 HD2 PHE A 82 31.166 38.511 34.107 1.00 0.00 H new ATOM 0 HE1 PHE A 82 33.528 34.218 34.921 1.00 0.00 H new ATOM 0 HE2 PHE A 82 31.774 37.048 32.198 1.00 0.00 H new ATOM 0 HZ PHE A 82 32.917 34.882 32.605 1.00 0.00 H new ATOM 1323 N ASN A 83 28.554 38.402 38.353 1.00 0.00 N ATOM 1324 CA ASN A 83 27.567 39.379 38.848 1.00 0.00 C ATOM 1325 C ASN A 83 27.955 40.871 38.678 1.00 0.00 C ATOM 1326 O ASN A 83 29.064 41.298 39.013 1.00 0.00 O ATOM 1327 CB ASN A 83 27.140 39.011 40.283 1.00 0.00 C ATOM 1328 CG ASN A 83 25.891 39.754 40.733 1.00 0.00 C ATOM 1329 OD1 ASN A 83 24.998 40.052 39.951 1.00 0.00 O ATOM 1330 ND2 ASN A 83 25.782 40.074 41.999 1.00 0.00 N ATOM 0 H ASN A 83 28.147 37.804 37.633 1.00 0.00 H new ATOM 0 HA ASN A 83 26.700 39.297 38.193 1.00 0.00 H new ATOM 0 HB2 ASN A 83 26.959 37.938 40.340 1.00 0.00 H new ATOM 0 HB3 ASN A 83 27.957 39.234 40.969 1.00 0.00 H new ATOM 0 HD21 ASN A 83 24.955 40.570 42.330 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.525 39.827 42.653 1.00 0.00 H new ATOM 1337 N ALA A 84 27.019 41.679 38.166 1.00 0.00 N ATOM 1338 CA ALA A 84 27.176 43.124 37.961 1.00 0.00 C ATOM 1339 C ALA A 84 25.809 43.839 37.856 1.00 0.00 C ATOM 1340 O ALA A 84 25.172 44.107 38.876 1.00 0.00 O ATOM 1341 CB ALA A 84 28.090 43.376 36.750 1.00 0.00 C ATOM 0 H ALA A 84 26.104 41.335 37.874 1.00 0.00 H new ATOM 0 HA ALA A 84 27.660 43.561 38.834 1.00 0.00 H new ATOM 0 HB1 ALA A 84 28.206 44.449 36.599 1.00 0.00 H new ATOM 0 HB2 ALA A 84 29.067 42.928 36.932 1.00 0.00 H new ATOM 0 HB3 ALA A 84 27.646 42.930 35.860 1.00 0.00 H new ATOM 1347 N ARG A 85 25.348 44.149 36.631 1.00 0.00 N ATOM 1348 CA ARG A 85 24.015 44.711 36.348 1.00 0.00 C ATOM 1349 C ARG A 85 22.902 43.673 36.547 1.00 0.00 C ATOM 1350 O ARG A 85 23.130 42.472 36.382 1.00 0.00 O ATOM 1351 CB ARG A 85 23.970 45.293 34.919 1.00 0.00 C ATOM 1352 CG ARG A 85 24.990 46.406 34.599 1.00 0.00 C ATOM 1353 CD ARG A 85 24.779 47.733 35.349 1.00 0.00 C ATOM 1354 NE ARG A 85 25.248 47.690 36.751 1.00 0.00 N ATOM 1355 CZ ARG A 85 26.484 47.859 37.189 1.00 0.00 C ATOM 1356 NH1 ARG A 85 27.482 48.142 36.402 1.00 0.00 N ATOM 1357 NH2 ARG A 85 26.745 47.739 38.458 1.00 0.00 N ATOM 0 H ARG A 85 25.907 44.012 35.789 1.00 0.00 H new ATOM 0 HA ARG A 85 23.838 45.515 37.062 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.122 44.477 34.213 1.00 0.00 H new ATOM 0 HB3 ARG A 85 22.969 45.686 34.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 25.989 46.035 34.826 1.00 0.00 H new ATOM 0 HG3 ARG A 85 24.960 46.605 33.528 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.304 48.529 34.821 1.00 0.00 H new ATOM 0 HD3 ARG A 85 23.719 47.987 35.335 1.00 0.00 H new ATOM 0 HE ARG A 85 24.538 47.510 37.460 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.328 48.243 35.399 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.418 48.263 36.789 1.00 0.00 H new ATOM 0 HH21 ARG A 85 25.996 47.515 39.114 1.00 0.00 H new ATOM 0 HH22 ARG A 85 27.698 47.869 38.797 1.00 0.00 H new ATOM 1371 N GLU A 86 21.697 44.151 36.861 1.00 0.00 N ATOM 1372 CA GLU A 86 20.475 43.369 37.153 1.00 0.00 C ATOM 1373 C GLU A 86 19.203 43.961 36.507 1.00 0.00 C ATOM 1374 O GLU A 86 19.193 45.163 36.151 1.00 0.00 O ATOM 1375 CB GLU A 86 20.317 43.201 38.679 1.00 0.00 C ATOM 1376 CG GLU A 86 20.090 44.520 39.447 1.00 0.00 C ATOM 1377 CD GLU A 86 19.845 44.318 40.963 1.00 0.00 C ATOM 1378 OE1 GLU A 86 20.387 43.364 41.577 1.00 0.00 O ATOM 1379 OE2 GLU A 86 19.113 45.139 41.570 1.00 0.00 O ATOM 1380 OXT GLU A 86 18.217 43.205 36.346 1.00 0.00 O ATOM 0 H GLU A 86 21.528 45.155 36.924 1.00 0.00 H new ATOM 0 HA GLU A 86 20.598 42.387 36.696 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.478 42.533 38.873 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.210 42.715 39.073 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.958 45.165 39.310 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.235 45.040 39.015 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.294 22.956 42.217 1.00 0.00 O ATOM 1389 C5' A B 101 23.917 22.877 40.938 1.00 0.00 C ATOM 1390 C4' A B 101 24.962 23.984 40.717 1.00 0.00 C ATOM 1391 O4' A B 101 24.385 25.295 40.746 1.00 0.00 O ATOM 1392 C3' A B 101 26.076 23.932 41.790 1.00 0.00 C ATOM 1393 O3' A B 101 27.361 24.065 41.204 1.00 0.00 O ATOM 1394 C2' A B 101 25.743 25.187 42.617 1.00 0.00 C ATOM 1395 O2' A B 101 26.831 25.723 43.375 1.00 0.00 O ATOM 1396 C1' A B 101 25.279 26.106 41.489 1.00 0.00 C ATOM 1397 N9 A B 101 24.684 27.392 41.938 1.00 0.00 N ATOM 1398 C8 A B 101 25.061 28.651 41.537 1.00 0.00 C ATOM 1399 N7 A B 101 24.424 29.629 42.130 1.00 0.00 N ATOM 1400 C5 A B 101 23.544 28.949 42.990 1.00 0.00 C ATOM 1401 C6 A B 101 22.570 29.355 43.937 1.00 0.00 C ATOM 1402 N6 A B 101 22.263 30.604 44.230 1.00 0.00 N ATOM 1403 N1 A B 101 21.869 28.463 44.639 1.00 0.00 N ATOM 1404 C2 A B 101 22.108 27.177 44.413 1.00 0.00 C ATOM 1405 N3 A B 101 22.977 26.644 43.557 1.00 0.00 N ATOM 1406 C4 A B 101 23.682 27.591 42.870 1.00 0.00 C ATOM 0 H5' A B 101 23.154 22.943 40.162 1.00 0.00 H new ATOM 0 H5'' A B 101 24.396 21.904 40.831 1.00 0.00 H new ATOM 0 H4' A B 101 25.380 23.797 39.728 1.00 0.00 H new ATOM 0 H3' A B 101 26.106 22.999 42.353 1.00 0.00 H new ATOM 0 H2' A B 101 25.022 25.014 43.416 1.00 0.00 H new ATOM 0 HO2' A B 101 27.679 25.421 42.989 1.00 0.00 H new ATOM 0 HO5' A B 101 22.638 22.233 42.307 1.00 0.00 H new ATOM 0 H1' A B 101 26.119 26.463 40.893 1.00 0.00 H new ATOM 0 H8 A B 101 25.823 28.821 40.791 1.00 0.00 H new ATOM 0 H61 A B 101 21.546 30.803 44.928 1.00 0.00 H new ATOM 0 H62 A B 101 22.743 31.371 43.759 1.00 0.00 H new ATOM 0 H2 A B 101 21.526 26.477 44.995 1.00 0.00 H new ATOM 1419 P C B 102 28.099 22.856 40.453 1.00 0.00 P ATOM 1420 OP1 C B 102 27.230 22.331 39.373 1.00 0.00 O ATOM 1421 OP2 C B 102 28.633 21.927 41.477 1.00 0.00 O ATOM 1422 O5' C B 102 29.321 23.659 39.795 1.00 0.00 O ATOM 1423 C5' C B 102 29.074 24.782 38.959 1.00 0.00 C ATOM 1424 C4' C B 102 30.345 25.595 38.682 1.00 0.00 C ATOM 1425 O4' C B 102 29.923 26.884 38.223 1.00 0.00 O ATOM 1426 C3' C B 102 31.212 25.844 39.928 1.00 0.00 C ATOM 1427 O3' C B 102 32.529 26.118 39.463 1.00 0.00 O ATOM 1428 C2' C B 102 30.485 27.076 40.489 1.00 0.00 C ATOM 1429 O2' C B 102 31.197 27.775 41.506 1.00 0.00 O ATOM 1430 C1' C B 102 30.294 27.866 39.187 1.00 0.00 C ATOM 1431 N1 C B 102 29.316 28.990 39.317 1.00 0.00 N ATOM 1432 C2 C B 102 29.737 30.159 39.962 1.00 0.00 C ATOM 1433 O2 C B 102 30.882 30.264 40.397 1.00 0.00 O ATOM 1434 N3 C B 102 28.890 31.203 40.132 1.00 0.00 N ATOM 1435 C4 C B 102 27.679 31.116 39.635 1.00 0.00 C ATOM 1436 N4 C B 102 26.916 32.150 39.853 1.00 0.00 N ATOM 1437 C5 C B 102 27.210 29.992 38.901 1.00 0.00 C ATOM 1438 C6 C B 102 28.061 28.943 38.759 1.00 0.00 C ATOM 0 H5' C B 102 28.330 25.425 39.429 1.00 0.00 H new ATOM 0 H5'' C B 102 28.650 24.442 38.014 1.00 0.00 H new ATOM 0 H4' C B 102 30.942 25.028 37.968 1.00 0.00 H new ATOM 0 H3' C B 102 31.319 25.048 40.665 1.00 0.00 H new ATOM 0 H2' C B 102 29.565 26.855 41.031 1.00 0.00 H new ATOM 0 HO2' C B 102 31.168 28.737 41.323 1.00 0.00 H new ATOM 0 H1' C B 102 31.204 28.387 38.889 1.00 0.00 H new ATOM 0 H41 C B 102 25.959 32.161 39.499 1.00 0.00 H new ATOM 0 H42 C B 102 27.276 32.948 40.377 1.00 0.00 H new ATOM 0 H5 C B 102 26.218 29.973 38.474 1.00 0.00 H new ATOM 0 H6 C B 102 27.750 28.069 38.206 1.00 0.00 H new ATOM 1450 P A B 103 33.847 25.642 40.248 1.00 0.00 P ATOM 1451 OP1 A B 103 34.043 24.195 39.988 1.00 0.00 O ATOM 1452 OP2 A B 103 33.838 26.124 41.651 1.00 0.00 O ATOM 1453 O5' A B 103 34.977 26.452 39.436 1.00 0.00 O ATOM 1454 C5' A B 103 34.925 27.868 39.350 1.00 0.00 C ATOM 1455 C4' A B 103 35.694 28.357 38.113 1.00 0.00 C ATOM 1456 O4' A B 103 34.926 29.355 37.456 1.00 0.00 O ATOM 1457 C3' A B 103 37.076 28.946 38.432 1.00 0.00 C ATOM 1458 O3' A B 103 37.971 28.660 37.362 1.00 0.00 O ATOM 1459 C2' A B 103 36.720 30.438 38.615 1.00 0.00 C ATOM 1460 O2' A B 103 37.695 31.382 38.197 1.00 0.00 O ATOM 1461 C1' A B 103 35.455 30.631 37.767 1.00 0.00 C ATOM 1462 N9 A B 103 34.410 31.527 38.348 1.00 0.00 N ATOM 1463 C8 A B 103 33.691 32.467 37.654 1.00 0.00 C ATOM 1464 N7 A B 103 32.832 33.145 38.371 1.00 0.00 N ATOM 1465 C5 A B 103 33.000 32.606 39.655 1.00 0.00 C ATOM 1466 C6 A B 103 32.413 32.850 40.925 1.00 0.00 C ATOM 1467 N6 A B 103 31.445 33.712 41.173 1.00 0.00 N ATOM 1468 N1 A B 103 32.817 32.203 42.021 1.00 0.00 N ATOM 1469 C2 A B 103 33.744 31.271 41.865 1.00 0.00 C ATOM 1470 N3 A B 103 34.368 30.905 40.747 1.00 0.00 N ATOM 1471 C4 A B 103 33.958 31.620 39.658 1.00 0.00 C ATOM 0 H5' A B 103 35.353 28.309 40.250 1.00 0.00 H new ATOM 0 H5'' A B 103 33.888 28.198 39.295 1.00 0.00 H new ATOM 0 H4' A B 103 35.855 27.481 37.485 1.00 0.00 H new ATOM 0 H3' A B 103 37.597 28.550 39.304 1.00 0.00 H new ATOM 0 H2' A B 103 36.617 30.632 39.683 1.00 0.00 H new ATOM 0 HO2' A B 103 38.495 30.910 37.884 1.00 0.00 H new ATOM 0 H1' A B 103 35.765 31.163 36.868 1.00 0.00 H new ATOM 0 H8 A B 103 33.824 32.635 36.595 1.00 0.00 H new ATOM 0 H61 A B 103 31.087 33.817 42.122 1.00 0.00 H new ATOM 0 H62 A B 103 31.055 34.273 40.415 1.00 0.00 H new ATOM 0 H2 A B 103 34.031 30.739 42.760 1.00 0.00 H new ATOM 1483 P U B 104 39.553 28.517 37.600 1.00 0.00 P ATOM 1484 OP1 U B 104 40.154 27.990 36.349 1.00 0.00 O ATOM 1485 OP2 U B 104 39.780 27.778 38.865 1.00 0.00 O ATOM 1486 O5' U B 104 40.000 30.045 37.819 1.00 0.00 O ATOM 1487 C5' U B 104 40.916 30.740 36.977 1.00 0.00 C ATOM 1488 C4' U B 104 40.519 30.869 35.497 1.00 0.00 C ATOM 1489 O4' U B 104 39.143 31.120 35.232 1.00 0.00 O ATOM 1490 C3' U B 104 41.221 32.048 34.827 1.00 0.00 C ATOM 1491 O3' U B 104 42.623 31.875 34.672 1.00 0.00 O ATOM 1492 C2' U B 104 40.452 32.122 33.499 1.00 0.00 C ATOM 1493 O2' U B 104 41.050 31.334 32.474 1.00 0.00 O ATOM 1494 C1' U B 104 39.094 31.488 33.859 1.00 0.00 C ATOM 1495 N1 U B 104 37.922 32.328 33.471 1.00 0.00 N ATOM 1496 C2 U B 104 37.839 33.668 33.889 1.00 0.00 C ATOM 1497 O2 U B 104 38.566 34.176 34.744 1.00 0.00 O ATOM 1498 N3 U B 104 36.899 34.462 33.260 1.00 0.00 N ATOM 1499 C4 U B 104 36.051 34.057 32.256 1.00 0.00 C ATOM 1500 O4 U B 104 35.335 34.871 31.688 1.00 0.00 O ATOM 1501 C5 U B 104 36.111 32.645 31.961 1.00 0.00 C ATOM 1502 C6 U B 104 37.002 31.822 32.575 1.00 0.00 C ATOM 0 H5' U B 104 41.880 30.234 37.030 1.00 0.00 H new ATOM 0 H5'' U B 104 41.059 31.742 37.381 1.00 0.00 H new ATOM 0 H4' U B 104 40.801 29.888 35.114 1.00 0.00 H new ATOM 0 H3' U B 104 41.192 32.969 35.409 1.00 0.00 H new ATOM 0 H2' U B 104 40.412 33.142 33.118 1.00 0.00 H new ATOM 0 HO2' U B 104 41.967 31.104 32.731 1.00 0.00 H new ATOM 0 H1' U B 104 38.930 30.589 33.265 1.00 0.00 H new ATOM 0 H3 U B 104 36.828 35.432 33.567 1.00 0.00 H new ATOM 0 H5 U B 104 35.429 32.231 31.233 1.00 0.00 H new ATOM 0 H6 U B 104 36.990 30.764 32.360 1.00 0.00 H new ATOM 1513 P C B 105 43.574 33.131 34.378 1.00 0.00 P ATOM 1514 OP1 C B 105 42.892 34.034 33.419 1.00 0.00 O ATOM 1515 OP2 C B 105 44.916 32.605 34.022 1.00 0.00 O ATOM 1516 O5' C B 105 43.669 33.895 35.793 1.00 0.00 O ATOM 1517 C5' C B 105 44.487 33.400 36.850 1.00 0.00 C ATOM 1518 C4' C B 105 44.651 34.418 37.989 1.00 0.00 C ATOM 1519 O4' C B 105 45.103 35.675 37.489 1.00 0.00 O ATOM 1520 C3' C B 105 43.368 34.732 38.760 1.00 0.00 C ATOM 1521 O3' C B 105 43.004 33.713 39.676 1.00 0.00 O ATOM 1522 C2' C B 105 43.774 36.056 39.440 1.00 0.00 C ATOM 1523 O2' C B 105 44.537 35.867 40.630 1.00 0.00 O ATOM 1524 C1' C B 105 44.715 36.694 38.402 1.00 0.00 C ATOM 1525 N1 C B 105 44.094 37.840 37.673 1.00 0.00 N ATOM 1526 C2 C B 105 44.768 39.073 37.653 1.00 0.00 C ATOM 1527 O2 C B 105 45.893 39.207 38.136 1.00 0.00 O ATOM 1528 N3 C B 105 44.186 40.171 37.103 1.00 0.00 N ATOM 1529 C4 C B 105 42.989 40.047 36.566 1.00 0.00 C ATOM 1530 N4 C B 105 42.478 41.139 36.063 1.00 0.00 N ATOM 1531 C5 C B 105 42.274 38.824 36.515 1.00 0.00 C ATOM 1532 C6 C B 105 42.861 37.734 37.068 1.00 0.00 C ATOM 0 H5' C B 105 45.469 33.140 36.455 1.00 0.00 H new ATOM 0 H5'' C B 105 44.050 32.483 37.246 1.00 0.00 H new ATOM 0 H4' C B 105 45.365 33.936 38.657 1.00 0.00 H new ATOM 0 H3' C B 105 42.472 34.802 38.143 1.00 0.00 H new ATOM 0 H2' C B 105 42.892 36.632 39.720 1.00 0.00 H new ATOM 0 HO2' C B 105 44.417 34.950 40.953 1.00 0.00 H new ATOM 0 H1' C B 105 45.577 37.110 38.923 1.00 0.00 H new ATOM 0 H41 C B 105 41.554 41.118 35.631 1.00 0.00 H new ATOM 0 H42 C B 105 43.003 42.013 36.103 1.00 0.00 H new ATOM 0 H5 C B 105 41.299 38.763 36.054 1.00 0.00 H new ATOM 0 H6 C B 105 42.359 36.778 37.034 1.00 0.00 H new ATOM 1544 P A B 106 41.498 33.574 40.210 1.00 0.00 P ATOM 1545 OP1 A B 106 41.476 32.436 41.162 1.00 0.00 O ATOM 1546 OP2 A B 106 40.604 33.546 39.032 1.00 0.00 O ATOM 1547 O5' A B 106 41.172 34.908 41.056 1.00 0.00 O ATOM 1548 C5' A B 106 40.289 35.903 40.549 1.00 0.00 C ATOM 1549 C4' A B 106 40.048 37.013 41.576 1.00 0.00 C ATOM 1550 O4' A B 106 41.268 37.676 41.910 1.00 0.00 O ATOM 1551 C3' A B 106 39.082 38.085 41.031 1.00 0.00 C ATOM 1552 O3' A B 106 38.079 38.367 42.005 1.00 0.00 O ATOM 1553 C2' A B 106 40.007 39.293 40.830 1.00 0.00 C ATOM 1554 O2' A B 106 39.328 40.548 40.902 1.00 0.00 O ATOM 1555 C1' A B 106 40.986 39.062 41.978 1.00 0.00 C ATOM 1556 N9 A B 106 42.230 39.858 41.899 1.00 0.00 N ATOM 1557 C8 A B 106 43.055 40.082 40.821 1.00 0.00 C ATOM 1558 N7 A B 106 44.095 40.835 41.084 1.00 0.00 N ATOM 1559 C5 A B 106 43.933 41.136 42.448 1.00 0.00 C ATOM 1560 C6 A B 106 44.658 41.891 43.407 1.00 0.00 C ATOM 1561 N6 A B 106 45.782 42.545 43.176 1.00 0.00 N ATOM 1562 N1 A B 106 44.238 42.000 44.669 1.00 0.00 N ATOM 1563 C2 A B 106 43.115 41.376 45.002 1.00 0.00 C ATOM 1564 N3 A B 106 42.328 40.632 44.227 1.00 0.00 N ATOM 1565 C4 A B 106 42.799 40.547 42.947 1.00 0.00 C ATOM 0 H5' A B 106 39.338 35.444 40.278 1.00 0.00 H new ATOM 0 H5'' A B 106 40.707 36.332 39.638 1.00 0.00 H new ATOM 0 H4' A B 106 39.620 36.530 42.454 1.00 0.00 H new ATOM 0 H3' A B 106 38.554 37.794 40.123 1.00 0.00 H new ATOM 0 H2' A B 106 40.468 39.356 39.844 1.00 0.00 H new ATOM 0 HO2' A B 106 39.971 41.276 40.768 1.00 0.00 H new ATOM 0 HO3' A B 106 37.957 39.337 42.077 1.00 0.00 H new ATOM 0 H1' A B 106 40.545 39.382 42.922 1.00 0.00 H new ATOM 0 H8 A B 106 42.862 39.672 39.841 1.00 0.00 H new ATOM 0 H61 A B 106 46.235 43.063 43.929 1.00 0.00 H new ATOM 0 H62 A B 106 46.197 42.532 42.244 1.00 0.00 H new ATOM 0 H2 A B 106 42.800 41.485 46.029 1.00 0.00 H new TER 1578 A B 106