USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 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 39 ASN : amide:sc= -2.77! C(o=-6.2!,f=-12!) USER MOD Set 1.2: A 48 GLN : amide:sc= -4.35! C(o=-6.2!,f=-6.6!) USER MOD Set 1.3: A 49 SER OG : rot -167:sc= 0.92 USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= 0 F(o=-2.2,f=-1.4) USER MOD Set 2.2: A 38 CYS SG : rot 70:sc= -1.38 USER MOD Set 3.1: A 3 HIS : no HE2:sc= -9.73! C(o=-18!,f=-29!) USER MOD Set 3.2: A 61 HIS :FLIP no HD1:sc= -8.76! C(o=-19!,f=-18!) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.206 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0442 (180deg=-0.48) USER MOD Single : A 5 TYR OH : rot -26:sc= 1.22 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.42) USER MOD Single : A 10 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-7.3!) USER MOD Single : A 17 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 130:sc= -1.96! USER MOD Single : A 32 HIS : no HD1:sc= 0.352 K(o=0.35,f=-1.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 43 CYS SG : rot -47:sc= 0.269! USER MOD Single : A 45 GLN :FLIP amide:sc= -1.27 F(o=-2.2!,f=-1.3) USER MOD Single : A 46 THR OG1 : rot 51:sc= 1.14 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -170:sc= -1.75 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0318 (180deg=-0.416) USER MOD Single : A 58 SER OG : rot 160:sc= -0.534 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -0.0576 (180deg=-0.489) USER MOD Single : A 70 SER OG : rot -70:sc= 0.695 USER MOD Single : A 72 THR OG1 : rot -31:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.742 0.061 -3.734 1.00 0.00 N ATOM 2 CA MET A 1 14.948 0.356 -2.508 1.00 0.00 C ATOM 3 C MET A 1 13.536 -0.196 -2.678 1.00 0.00 C ATOM 4 O MET A 1 12.939 -0.080 -3.749 1.00 0.00 O ATOM 5 CB MET A 1 14.890 1.872 -2.293 1.00 0.00 C ATOM 6 CG MET A 1 16.299 2.423 -2.042 1.00 0.00 C ATOM 7 SD MET A 1 16.982 1.713 -0.521 1.00 0.00 S ATOM 8 CE MET A 1 15.826 2.480 0.644 1.00 0.00 C ATOM 0 H1 MET A 1 16.756 0.134 -3.517 1.00 0.00 H new ATOM 0 H2 MET A 1 15.527 -0.902 -4.064 1.00 0.00 H new ATOM 0 H3 MET A 1 15.498 0.745 -4.479 1.00 0.00 H new ATOM 0 HA MET A 1 15.417 -0.112 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.453 2.355 -3.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.245 2.102 -1.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.947 2.186 -2.886 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.264 3.510 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.306 2.586 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.535 3.463 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.940 1.853 0.744 1.00 0.00 H new ATOM 20 N ASP A 2 13.008 -0.795 -1.614 1.00 0.00 N ATOM 21 CA ASP A 2 11.663 -1.362 -1.651 1.00 0.00 C ATOM 22 C ASP A 2 10.616 -0.276 -1.423 1.00 0.00 C ATOM 23 O ASP A 2 10.954 0.868 -1.124 1.00 0.00 O ATOM 24 CB ASP A 2 11.522 -2.444 -0.579 1.00 0.00 C ATOM 25 CG ASP A 2 11.844 -1.861 0.793 1.00 0.00 C ATOM 26 OD1 ASP A 2 12.267 -0.719 0.844 1.00 0.00 O ATOM 27 OD2 ASP A 2 11.662 -2.567 1.771 1.00 0.00 O1- ATOM 0 H ASP A 2 13.488 -0.900 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 2 11.503 -1.803 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.508 -2.844 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.193 -3.274 -0.798 1.00 0.00 H new ATOM 32 N HIS A 3 9.343 -0.640 -1.577 1.00 0.00 N ATOM 33 CA HIS A 3 8.250 0.316 -1.393 1.00 0.00 C ATOM 34 C HIS A 3 7.087 -0.328 -0.643 1.00 0.00 C ATOM 35 O HIS A 3 5.964 -0.369 -1.145 1.00 0.00 O ATOM 36 CB HIS A 3 7.764 0.804 -2.760 1.00 0.00 C ATOM 37 CG HIS A 3 8.952 1.080 -3.639 1.00 0.00 C ATOM 38 ND1 HIS A 3 10.052 1.795 -3.195 1.00 0.00 N ATOM 39 CD2 HIS A 3 9.227 0.741 -4.941 1.00 0.00 C ATOM 40 CE1 HIS A 3 10.930 1.864 -4.212 1.00 0.00 C ATOM 41 NE2 HIS A 3 10.477 1.236 -5.300 1.00 0.00 N ATOM 0 H HIS A 3 9.044 -1.583 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 3 8.620 1.157 -0.807 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.123 0.052 -3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.165 1.707 -2.645 1.00 0.00 H new ATOM 0 HD1 HIS A 3 10.174 2.197 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.572 0.176 -5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.885 2.366 -4.155 1.00 0.00 H new ATOM 49 N VAL A 4 7.360 -0.833 0.561 1.00 0.00 N ATOM 50 CA VAL A 4 6.335 -1.474 1.371 1.00 0.00 C ATOM 51 C VAL A 4 5.834 -0.531 2.457 1.00 0.00 C ATOM 52 O VAL A 4 4.794 -0.771 3.064 1.00 0.00 O ATOM 53 CB VAL A 4 6.923 -2.720 2.026 1.00 0.00 C ATOM 54 CG1 VAL A 4 7.208 -3.773 0.955 1.00 0.00 C ATOM 55 CG2 VAL A 4 8.228 -2.355 2.745 1.00 0.00 C ATOM 0 H VAL A 4 8.284 -0.808 0.993 1.00 0.00 H new ATOM 0 HA VAL A 4 5.498 -1.741 0.726 1.00 0.00 H new ATOM 0 HB VAL A 4 6.211 -3.120 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.628 -4.663 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.280 -4.034 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.919 -3.373 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.647 -3.246 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.941 -1.954 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.025 -1.605 3.510 1.00 0.00 H new ATOM 65 N TYR A 5 6.588 0.534 2.711 1.00 0.00 N ATOM 66 CA TYR A 5 6.220 1.489 3.747 1.00 0.00 C ATOM 67 C TYR A 5 4.844 2.085 3.480 1.00 0.00 C ATOM 68 O TYR A 5 4.022 2.209 4.388 1.00 0.00 O ATOM 69 CB TYR A 5 7.248 2.620 3.790 1.00 0.00 C ATOM 70 CG TYR A 5 8.636 2.054 3.627 1.00 0.00 C ATOM 71 CD1 TYR A 5 9.155 1.815 2.350 1.00 0.00 C ATOM 72 CD2 TYR A 5 9.406 1.781 4.756 1.00 0.00 C ATOM 73 CE1 TYR A 5 10.448 1.300 2.207 1.00 0.00 C ATOM 74 CE2 TYR A 5 10.697 1.266 4.620 1.00 0.00 C ATOM 75 CZ TYR A 5 11.221 1.025 3.344 1.00 0.00 C ATOM 76 OH TYR A 5 12.497 0.518 3.205 1.00 0.00 O ATOM 0 H TYR A 5 7.452 0.756 2.216 1.00 0.00 H new ATOM 0 HA TYR A 5 6.196 0.961 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.044 3.340 2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.173 3.157 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.558 2.028 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.003 1.968 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.850 1.115 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.290 1.054 5.497 1.00 0.00 H new ATOM 0 HH TYR A 5 12.567 0.038 2.353 1.00 0.00 H new ATOM 86 N LYS A 6 4.607 2.459 2.230 1.00 0.00 N ATOM 87 CA LYS A 6 3.335 3.053 1.852 1.00 0.00 C ATOM 88 C LYS A 6 2.199 2.079 2.139 1.00 0.00 C ATOM 89 O LYS A 6 1.150 2.465 2.656 1.00 0.00 O ATOM 90 CB LYS A 6 3.354 3.402 0.360 1.00 0.00 C ATOM 91 CG LYS A 6 2.067 4.142 -0.017 1.00 0.00 C ATOM 92 CD LYS A 6 2.054 4.451 -1.522 1.00 0.00 C ATOM 93 CE LYS A 6 3.045 5.572 -1.855 1.00 0.00 C ATOM 94 NZ LYS A 6 2.764 6.080 -3.228 1.00 0.00 N1+ ATOM 0 H LYS A 6 5.275 2.362 1.466 1.00 0.00 H new ATOM 0 HA LYS A 6 3.178 3.961 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.221 4.023 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.449 2.493 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.200 3.535 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.991 5.068 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.311 3.553 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.050 4.744 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.956 6.381 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.068 5.200 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.433 6.841 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.870 5.305 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.792 6.449 -3.270 1.00 0.00 H new ATOM 108 N GLY A 7 2.418 0.815 1.804 1.00 0.00 N ATOM 109 CA GLY A 7 1.414 -0.213 2.030 1.00 0.00 C ATOM 110 C GLY A 7 1.150 -0.406 3.519 1.00 0.00 C ATOM 111 O GLY A 7 0.035 -0.736 3.923 1.00 0.00 O ATOM 0 H GLY A 7 3.280 0.478 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.488 0.062 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.748 -1.154 1.592 1.00 0.00 H new ATOM 115 N GLN A 8 2.183 -0.199 4.333 1.00 0.00 N ATOM 116 CA GLN A 8 2.051 -0.354 5.778 1.00 0.00 C ATOM 117 C GLN A 8 1.322 0.832 6.401 1.00 0.00 C ATOM 118 O GLN A 8 0.419 0.655 7.218 1.00 0.00 O ATOM 119 CB GLN A 8 3.437 -0.492 6.411 1.00 0.00 C ATOM 120 CG GLN A 8 4.062 -1.828 6.005 1.00 0.00 C ATOM 121 CD GLN A 8 3.290 -2.984 6.629 1.00 0.00 C ATOM 122 OE1 GLN A 8 3.051 -2.992 7.837 1.00 0.00 O ATOM 123 NE2 GLN A 8 2.880 -3.965 5.873 1.00 0.00 N ATOM 0 H GLN A 8 3.114 0.075 4.019 1.00 0.00 H new ATOM 0 HA GLN A 8 1.464 -1.253 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.076 0.331 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.359 -0.432 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.059 -1.924 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.103 -1.862 6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.079 -3.956 4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.360 -4.741 6.282 1.00 0.00 H new ATOM 132 N LEU A 9 1.727 2.036 6.020 1.00 0.00 N ATOM 133 CA LEU A 9 1.109 3.249 6.556 1.00 0.00 C ATOM 134 C LEU A 9 -0.351 3.305 6.183 1.00 0.00 C ATOM 135 O LEU A 9 -1.194 3.688 6.993 1.00 0.00 O ATOM 136 CB LEU A 9 1.832 4.493 6.026 1.00 0.00 C ATOM 137 CG LEU A 9 1.248 5.766 6.662 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.491 5.765 8.182 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.921 6.991 6.031 1.00 0.00 C ATOM 0 H LEU A 9 2.475 2.202 5.347 1.00 0.00 H new ATOM 0 HA LEU A 9 1.193 3.227 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.897 4.424 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.735 4.543 4.942 1.00 0.00 H new ATOM 0 HG LEU A 9 0.173 5.798 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.072 6.672 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.011 4.893 8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.562 5.729 8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.514 7.899 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.995 6.949 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.733 6.997 4.957 1.00 0.00 H new ATOM 151 N GLN A 10 -0.655 2.937 4.957 1.00 0.00 N ATOM 152 CA GLN A 10 -2.026 2.972 4.518 1.00 0.00 C ATOM 153 C GLN A 10 -2.862 1.972 5.311 1.00 0.00 C ATOM 154 O GLN A 10 -3.974 2.280 5.735 1.00 0.00 O ATOM 155 CB GLN A 10 -2.106 2.666 3.023 1.00 0.00 C ATOM 156 CG GLN A 10 -3.560 2.730 2.563 1.00 0.00 C ATOM 157 CD GLN A 10 -3.623 2.560 1.052 1.00 0.00 C ATOM 158 OE1 GLN A 10 -4.272 1.640 0.557 1.00 0.00 O ATOM 159 NE2 GLN A 10 -2.971 3.391 0.285 1.00 0.00 N ATOM 0 H GLN A 10 0.017 2.616 4.260 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.425 3.971 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.505 3.382 2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.694 1.677 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.142 1.949 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.002 3.684 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.434 4.153 0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.999 3.279 -0.728 1.00 0.00 H new ATOM 168 N ALA A 11 -2.316 0.779 5.514 1.00 0.00 N ATOM 169 CA ALA A 11 -3.024 -0.249 6.267 1.00 0.00 C ATOM 170 C ALA A 11 -3.159 0.152 7.734 1.00 0.00 C ATOM 171 O ALA A 11 -4.189 -0.089 8.361 1.00 0.00 O ATOM 172 CB ALA A 11 -2.277 -1.579 6.162 1.00 0.00 C ATOM 0 H ALA A 11 -1.396 0.501 5.172 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.022 -0.359 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.812 -2.342 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.214 -1.879 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.272 -1.465 6.568 1.00 0.00 H new ATOM 178 N TYR A 12 -2.107 0.759 8.278 1.00 0.00 N ATOM 179 CA TYR A 12 -2.119 1.183 9.675 1.00 0.00 C ATOM 180 C TYR A 12 -3.205 2.226 9.913 1.00 0.00 C ATOM 181 O TYR A 12 -4.028 2.085 10.816 1.00 0.00 O ATOM 182 CB TYR A 12 -0.760 1.772 10.046 1.00 0.00 C ATOM 183 CG TYR A 12 -0.792 2.244 11.478 1.00 0.00 C ATOM 184 CD1 TYR A 12 -1.232 3.539 11.781 1.00 0.00 C ATOM 185 CD2 TYR A 12 -0.383 1.385 12.504 1.00 0.00 C ATOM 186 CE1 TYR A 12 -1.262 3.972 13.112 1.00 0.00 C ATOM 187 CE2 TYR A 12 -0.413 1.819 13.834 1.00 0.00 C ATOM 188 CZ TYR A 12 -0.852 3.113 14.138 1.00 0.00 C ATOM 189 OH TYR A 12 -0.881 3.541 15.450 1.00 0.00 O ATOM 0 H TYR A 12 -1.243 0.967 7.778 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.326 0.313 10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.021 1.023 9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.518 2.603 9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.548 4.202 10.989 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.044 0.387 12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.602 4.970 13.347 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.098 1.156 14.626 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.565 2.822 16.036 1.00 0.00 H new ATOM 199 N ALA A 13 -3.196 3.279 9.099 1.00 0.00 N ATOM 200 CA ALA A 13 -4.183 4.342 9.233 1.00 0.00 C ATOM 201 C ALA A 13 -5.600 3.786 9.108 1.00 0.00 C ATOM 202 O ALA A 13 -6.464 4.073 9.936 1.00 0.00 O ATOM 203 CB ALA A 13 -3.945 5.406 8.148 1.00 0.00 C ATOM 0 H ALA A 13 -2.521 3.417 8.346 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.076 4.793 10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.684 6.201 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.945 5.824 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.037 4.948 7.163 1.00 0.00 H new ATOM 209 N LEU A 14 -5.831 2.996 8.063 1.00 0.00 N ATOM 210 CA LEU A 14 -7.149 2.415 7.835 1.00 0.00 C ATOM 211 C LEU A 14 -7.529 1.471 8.970 1.00 0.00 C ATOM 212 O LEU A 14 -8.658 1.500 9.460 1.00 0.00 O ATOM 213 CB LEU A 14 -7.155 1.638 6.512 1.00 0.00 C ATOM 214 CG LEU A 14 -8.549 1.049 6.240 1.00 0.00 C ATOM 215 CD1 LEU A 14 -9.569 2.178 6.020 1.00 0.00 C ATOM 216 CD2 LEU A 14 -8.475 0.167 4.993 1.00 0.00 C ATOM 0 H LEU A 14 -5.129 2.746 7.367 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.875 3.227 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.867 2.299 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.416 0.837 6.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.869 0.456 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.552 1.748 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.615 2.806 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.264 2.782 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.458 -0.257 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.155 0.767 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.759 -0.638 5.159 1.00 0.00 H new ATOM 228 N GLN A 15 -6.591 0.623 9.370 1.00 0.00 N ATOM 229 CA GLN A 15 -6.860 -0.336 10.431 1.00 0.00 C ATOM 230 C GLN A 15 -7.126 0.384 11.748 1.00 0.00 C ATOM 231 O GLN A 15 -8.002 -0.009 12.518 1.00 0.00 O ATOM 232 CB GLN A 15 -5.673 -1.292 10.593 1.00 0.00 C ATOM 233 CG GLN A 15 -6.000 -2.336 11.664 1.00 0.00 C ATOM 234 CD GLN A 15 -4.880 -3.366 11.748 1.00 0.00 C ATOM 235 OE1 GLN A 15 -3.732 -3.015 12.022 1.00 0.00 O ATOM 236 NE2 GLN A 15 -5.147 -4.625 11.533 1.00 0.00 N ATOM 0 H GLN A 15 -5.649 0.580 8.981 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.746 -0.909 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.457 -1.784 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.779 -0.735 10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.130 -1.849 12.630 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.942 -2.830 11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.099 -4.913 11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.404 -5.321 11.592 1.00 0.00 H new ATOM 245 N HIS A 16 -6.360 1.440 12.000 1.00 0.00 N ATOM 246 CA HIS A 16 -6.510 2.217 13.227 1.00 0.00 C ATOM 247 C HIS A 16 -7.583 3.289 13.058 1.00 0.00 C ATOM 248 O HIS A 16 -7.953 3.962 14.020 1.00 0.00 O ATOM 249 CB HIS A 16 -5.178 2.876 13.591 1.00 0.00 C ATOM 250 CG HIS A 16 -4.211 1.827 14.069 1.00 0.00 C ATOM 251 ND1 HIS A 16 -3.542 0.985 13.194 1.00 0.00 N ATOM 252 CD2 HIS A 16 -3.794 1.468 15.327 1.00 0.00 C ATOM 253 CE1 HIS A 16 -2.766 0.168 13.930 1.00 0.00 C ATOM 254 NE2 HIS A 16 -2.882 0.420 15.237 1.00 0.00 N ATOM 0 H HIS A 16 -5.630 1.778 11.373 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.813 1.542 14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.768 3.395 12.724 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.331 3.625 14.368 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -3.623 0.985 12.177 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.123 1.929 16.247 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.128 -0.598 13.515 1.00 0.00 H new ATOM 262 N ASN A 17 -8.078 3.443 11.831 1.00 0.00 N ATOM 263 CA ASN A 17 -9.109 4.439 11.552 1.00 0.00 C ATOM 264 C ASN A 17 -8.579 5.842 11.820 1.00 0.00 C ATOM 265 O ASN A 17 -9.039 6.526 12.732 1.00 0.00 O ATOM 266 CB ASN A 17 -10.341 4.177 12.424 1.00 0.00 C ATOM 267 CG ASN A 17 -11.548 4.921 11.862 1.00 0.00 C ATOM 268 OD1 ASN A 17 -11.629 5.150 10.655 1.00 0.00 O ATOM 269 ND2 ASN A 17 -12.495 5.313 12.667 1.00 0.00 N ATOM 0 H ASN A 17 -7.785 2.896 11.022 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.389 4.363 10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.549 3.108 12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.148 4.501 13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.305 5.810 12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.426 5.122 13.667 1.00 0.00 H new ATOM 276 N LEU A 18 -7.600 6.262 11.019 1.00 0.00 N ATOM 277 CA LEU A 18 -6.995 7.587 11.170 1.00 0.00 C ATOM 278 C LEU A 18 -7.011 8.340 9.843 1.00 0.00 C ATOM 279 O LEU A 18 -6.917 7.735 8.774 1.00 0.00 O ATOM 280 CB LEU A 18 -5.554 7.431 11.660 1.00 0.00 C ATOM 281 CG LEU A 18 -5.542 6.700 13.010 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.095 6.407 13.416 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.214 7.572 14.087 1.00 0.00 C ATOM 0 H LEU A 18 -7.209 5.705 10.259 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.572 8.159 11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.969 6.873 10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.086 8.410 11.762 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.093 5.764 12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.084 5.888 14.374 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.624 5.780 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.545 7.344 13.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.201 7.046 15.041 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.672 8.513 14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.245 7.776 13.799 1.00 0.00 H new ATOM 295 N GLU A 19 -7.129 9.666 9.919 1.00 0.00 N ATOM 296 CA GLU A 19 -7.156 10.492 8.720 1.00 0.00 C ATOM 297 C GLU A 19 -6.071 10.042 7.754 1.00 0.00 C ATOM 298 O GLU A 19 -4.946 9.744 8.156 1.00 0.00 O ATOM 299 CB GLU A 19 -6.948 11.961 9.092 1.00 0.00 C ATOM 300 CG GLU A 19 -8.157 12.455 9.888 1.00 0.00 C ATOM 301 CD GLU A 19 -7.933 13.896 10.330 1.00 0.00 C ATOM 302 OE1 GLU A 19 -6.902 14.447 9.985 1.00 0.00 O ATOM 303 OE2 GLU A 19 -8.799 14.429 11.005 1.00 0.00 O1- ATOM 0 H GLU A 19 -7.207 10.185 10.794 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.127 10.383 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.038 12.074 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.820 12.562 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.057 12.389 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.315 11.819 10.759 1.00 0.00 H new ATOM 310 N LEU A 20 -6.424 9.978 6.484 1.00 0.00 N ATOM 311 CA LEU A 20 -5.482 9.540 5.462 1.00 0.00 C ATOM 312 C LEU A 20 -4.145 10.284 5.600 1.00 0.00 C ATOM 313 O LEU A 20 -4.125 11.463 5.950 1.00 0.00 O ATOM 314 CB LEU A 20 -6.070 9.794 4.069 1.00 0.00 C ATOM 315 CG LEU A 20 -7.541 9.359 4.032 1.00 0.00 C ATOM 316 CD1 LEU A 20 -8.048 9.415 2.590 1.00 0.00 C ATOM 317 CD2 LEU A 20 -7.674 7.926 4.561 1.00 0.00 C ATOM 0 H LEU A 20 -7.350 10.222 6.133 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.303 8.473 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.989 10.852 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.501 9.244 3.319 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.130 10.029 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.093 9.107 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.959 10.434 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.454 8.745 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.721 7.623 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.084 7.252 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.312 7.882 5.588 1.00 0.00 H new ATOM 329 N PRO A 21 -3.033 9.629 5.334 1.00 0.00 N ATOM 330 CA PRO A 21 -1.684 10.266 5.436 1.00 0.00 C ATOM 331 C PRO A 21 -1.434 11.255 4.306 1.00 0.00 C ATOM 332 O PRO A 21 -2.016 11.141 3.227 1.00 0.00 O ATOM 333 CB PRO A 21 -0.720 9.074 5.349 1.00 0.00 C ATOM 334 CG PRO A 21 -1.452 8.067 4.526 1.00 0.00 C ATOM 335 CD PRO A 21 -2.926 8.220 4.900 1.00 0.00 C ATOM 0 HA PRO A 21 -1.568 10.848 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.223 9.359 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.482 8.682 6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.298 8.244 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.098 7.058 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.578 8.012 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.210 7.533 5.697 1.00 0.00 H new ATOM 343 N VAL A 22 -0.557 12.223 4.559 1.00 0.00 N ATOM 344 CA VAL A 22 -0.223 13.232 3.551 1.00 0.00 C ATOM 345 C VAL A 22 1.290 13.366 3.399 1.00 0.00 C ATOM 346 O VAL A 22 2.018 13.510 4.377 1.00 0.00 O ATOM 347 CB VAL A 22 -0.822 14.590 3.943 1.00 0.00 C ATOM 348 CG1 VAL A 22 -0.288 15.688 3.015 1.00 0.00 C ATOM 349 CG2 VAL A 22 -2.348 14.533 3.828 1.00 0.00 C ATOM 0 H VAL A 22 -0.066 12.332 5.446 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.644 12.912 2.598 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.538 14.816 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.719 16.648 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.798 15.738 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.563 15.460 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.770 15.498 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.627 14.298 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.735 13.762 4.494 1.00 0.00 H new ATOM 359 N TYR A 23 1.740 13.323 2.151 1.00 0.00 N ATOM 360 CA TYR A 23 3.153 13.444 1.830 1.00 0.00 C ATOM 361 C TYR A 23 3.454 14.800 1.213 1.00 0.00 C ATOM 362 O TYR A 23 2.601 15.406 0.565 1.00 0.00 O ATOM 363 CB TYR A 23 3.552 12.340 0.872 1.00 0.00 C ATOM 364 CG TYR A 23 3.496 11.020 1.598 1.00 0.00 C ATOM 365 CD1 TYR A 23 2.264 10.458 1.929 1.00 0.00 C ATOM 366 CD2 TYR A 23 4.679 10.369 1.946 1.00 0.00 C ATOM 367 CE1 TYR A 23 2.214 9.238 2.607 1.00 0.00 C ATOM 368 CE2 TYR A 23 4.637 9.147 2.624 1.00 0.00 C ATOM 369 CZ TYR A 23 3.401 8.579 2.955 1.00 0.00 C ATOM 370 OH TYR A 23 3.351 7.374 3.620 1.00 0.00 O ATOM 0 H TYR A 23 1.137 13.204 1.337 1.00 0.00 H new ATOM 0 HA TYR A 23 3.728 13.353 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.882 12.326 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.557 12.518 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.349 10.966 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.631 10.810 1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.260 8.802 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.554 8.643 2.891 1.00 0.00 H new ATOM 0 HH TYR A 23 3.924 6.724 3.162 1.00 0.00 H new ATOM 380 N ALA A 24 4.691 15.247 1.391 1.00 0.00 N ATOM 381 CA ALA A 24 5.151 16.520 0.826 1.00 0.00 C ATOM 382 C ALA A 24 6.267 16.258 -0.181 1.00 0.00 C ATOM 383 O ALA A 24 7.078 15.355 0.016 1.00 0.00 O ATOM 384 CB ALA A 24 5.672 17.432 1.938 1.00 0.00 C ATOM 0 H ALA A 24 5.402 14.747 1.925 1.00 0.00 H new ATOM 0 HA ALA A 24 4.314 17.009 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.011 18.374 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.873 17.627 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.504 16.946 2.447 1.00 0.00 H new ATOM 390 N ASN A 25 6.300 17.042 -1.261 1.00 0.00 N ATOM 391 CA ASN A 25 7.322 16.874 -2.301 1.00 0.00 C ATOM 392 C ASN A 25 8.139 18.150 -2.483 1.00 0.00 C ATOM 393 O ASN A 25 7.587 19.216 -2.753 1.00 0.00 O ATOM 394 CB ASN A 25 6.645 16.531 -3.631 1.00 0.00 C ATOM 395 CG ASN A 25 5.874 15.222 -3.508 1.00 0.00 C ATOM 396 OD1 ASN A 25 6.324 14.284 -2.723 1.00 0.00 O flip ATOM 397 ND2 ASN A 25 4.838 15.049 -4.150 1.00 0.00 N flip ATOM 0 H ASN A 25 5.636 17.795 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 25 7.990 16.070 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.968 17.334 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.395 16.447 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.489 15.786 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.329 14.169 -4.069 1.00 0.00 H new ATOM 404 N GLU A 26 9.461 18.026 -2.363 1.00 0.00 N ATOM 405 CA GLU A 26 10.354 19.172 -2.548 1.00 0.00 C ATOM 406 C GLU A 26 11.532 18.761 -3.423 1.00 0.00 C ATOM 407 O GLU A 26 12.140 17.714 -3.202 1.00 0.00 O ATOM 408 CB GLU A 26 10.858 19.684 -1.197 1.00 0.00 C ATOM 409 CG GLU A 26 9.701 19.692 -0.189 1.00 0.00 C ATOM 410 CD GLU A 26 10.188 20.178 1.170 1.00 0.00 C ATOM 411 OE1 GLU A 26 11.353 20.525 1.272 1.00 0.00 O ATOM 412 OE2 GLU A 26 9.389 20.193 2.091 1.00 0.00 O1- ATOM 0 H GLU A 26 9.935 17.151 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 26 9.802 19.976 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.666 19.049 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.266 20.689 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.901 20.339 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.283 18.689 -0.096 1.00 0.00 H new ATOM 419 N ARG A 27 11.848 19.582 -4.423 1.00 0.00 N ATOM 420 CA ARG A 27 12.955 19.289 -5.334 1.00 0.00 C ATOM 421 C ARG A 27 13.807 20.527 -5.531 1.00 0.00 C ATOM 422 O ARG A 27 13.322 21.548 -6.016 1.00 0.00 O ATOM 423 CB ARG A 27 12.411 18.856 -6.698 1.00 0.00 C ATOM 424 CG ARG A 27 13.568 18.398 -7.594 1.00 0.00 C ATOM 425 CD ARG A 27 13.035 18.069 -8.988 1.00 0.00 C ATOM 426 NE ARG A 27 12.630 19.292 -9.671 1.00 0.00 N ATOM 427 CZ ARG A 27 12.101 19.254 -10.887 1.00 0.00 C ATOM 428 NH1 ARG A 27 11.938 18.109 -11.491 1.00 0.00 N ATOM 429 NH2 ARG A 27 11.747 20.361 -11.480 1.00 0.00 N1+ ATOM 0 H ARG A 27 11.356 20.453 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 27 13.554 18.489 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.692 18.046 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.880 19.684 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.324 19.180 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.052 17.522 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.803 17.557 -9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.187 17.389 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 27 12.755 20.191 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.217 17.244 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.531 18.079 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.877 21.256 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.340 20.331 -12.415 1.00 0.00 H new ATOM 443 N GLU A 28 15.077 20.438 -5.167 1.00 0.00 N ATOM 444 CA GLU A 28 15.972 21.568 -5.329 1.00 0.00 C ATOM 445 C GLU A 28 17.412 21.081 -5.336 1.00 0.00 C ATOM 446 O GLU A 28 17.801 20.274 -4.493 1.00 0.00 O ATOM 447 CB GLU A 28 15.773 22.571 -4.190 1.00 0.00 C ATOM 448 CG GLU A 28 16.667 23.792 -4.420 1.00 0.00 C ATOM 449 CD GLU A 28 16.427 24.829 -3.327 1.00 0.00 C ATOM 450 OE1 GLU A 28 15.429 24.713 -2.638 1.00 0.00 O ATOM 451 OE2 GLU A 28 17.247 25.723 -3.198 1.00 0.00 O1- ATOM 0 H GLU A 28 15.505 19.605 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 28 15.749 22.062 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.728 22.877 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.015 22.105 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 28 17.714 23.490 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.458 24.227 -5.397 1.00 0.00 H new ATOM 458 N GLY A 29 18.200 21.558 -6.290 1.00 0.00 N ATOM 459 CA GLY A 29 19.599 21.148 -6.375 1.00 0.00 C ATOM 460 C GLY A 29 20.105 21.195 -7.822 1.00 0.00 C ATOM 461 O GLY A 29 19.369 20.837 -8.742 1.00 0.00 O ATOM 0 H GLY A 29 17.902 22.220 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.210 21.801 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.709 20.138 -5.981 1.00 0.00 H new ATOM 465 N PRO A 30 21.336 21.609 -8.052 1.00 0.00 N ATOM 466 CA PRO A 30 21.904 21.666 -9.432 1.00 0.00 C ATOM 467 C PRO A 30 21.564 20.410 -10.265 1.00 0.00 C ATOM 468 O PRO A 30 21.128 19.400 -9.714 1.00 0.00 O ATOM 469 CB PRO A 30 23.419 21.754 -9.197 1.00 0.00 C ATOM 470 CG PRO A 30 23.591 22.372 -7.839 1.00 0.00 C ATOM 471 CD PRO A 30 22.307 22.089 -7.043 1.00 0.00 C ATOM 0 HA PRO A 30 21.497 22.503 -9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.878 20.766 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.899 22.360 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.459 21.950 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 30 23.762 23.445 -7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.478 21.340 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.946 22.987 -6.542 1.00 0.00 H new ATOM 479 N PRO A 31 21.767 20.450 -11.571 1.00 0.00 N ATOM 480 CA PRO A 31 21.485 19.278 -12.467 1.00 0.00 C ATOM 481 C PRO A 31 22.195 17.996 -12.018 1.00 0.00 C ATOM 482 O PRO A 31 21.575 16.937 -11.912 1.00 0.00 O ATOM 483 CB PRO A 31 22.014 19.725 -13.844 1.00 0.00 C ATOM 484 CG PRO A 31 22.026 21.217 -13.798 1.00 0.00 C ATOM 485 CD PRO A 31 22.276 21.605 -12.339 1.00 0.00 C ATOM 0 HA PRO A 31 20.424 19.028 -12.463 1.00 0.00 H new ATOM 0 HB2 PRO A 31 23.013 19.329 -14.029 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.374 19.362 -14.648 1.00 0.00 H new ATOM 0 HG2 PRO A 31 22.806 21.619 -14.445 1.00 0.00 H new ATOM 0 HG3 PRO A 31 21.078 21.624 -14.151 1.00 0.00 H new ATOM 0 HD2 PRO A 31 23.335 21.777 -12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.751 22.523 -12.074 1.00 0.00 H new ATOM 493 N HIS A 32 23.501 18.100 -11.771 1.00 0.00 N ATOM 494 CA HIS A 32 24.294 16.943 -11.351 1.00 0.00 C ATOM 495 C HIS A 32 24.271 16.800 -9.836 1.00 0.00 C ATOM 496 O HIS A 32 24.926 15.923 -9.273 1.00 0.00 O ATOM 497 CB HIS A 32 25.741 17.097 -11.830 1.00 0.00 C ATOM 498 CG HIS A 32 26.380 18.268 -11.138 1.00 0.00 C ATOM 499 ND1 HIS A 32 26.123 19.576 -11.512 1.00 0.00 N ATOM 500 CD2 HIS A 32 27.267 18.343 -10.093 1.00 0.00 C ATOM 501 CE1 HIS A 32 26.843 20.378 -10.706 1.00 0.00 C ATOM 502 NE2 HIS A 32 27.557 19.678 -9.822 1.00 0.00 N ATOM 0 H HIS A 32 24.030 18.968 -11.854 1.00 0.00 H new ATOM 0 HA HIS A 32 23.858 16.048 -11.796 1.00 0.00 H new ATOM 0 HB2 HIS A 32 26.303 16.187 -11.620 1.00 0.00 H new ATOM 0 HB3 HIS A 32 25.763 17.243 -12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 32 27.677 17.496 -9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 32 26.843 21.456 -10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 32 28.181 20.043 -9.102 1.00 0.00 H new ATOM 510 N ALA A 33 23.493 17.656 -9.182 1.00 0.00 N ATOM 511 CA ALA A 33 23.364 17.608 -7.726 1.00 0.00 C ATOM 512 C ALA A 33 21.913 17.837 -7.311 1.00 0.00 C ATOM 513 O ALA A 33 21.608 18.793 -6.598 1.00 0.00 O ATOM 514 CB ALA A 33 24.261 18.677 -7.094 1.00 0.00 C ATOM 0 H ALA A 33 22.944 18.388 -9.632 1.00 0.00 H new ATOM 0 HA ALA A 33 23.674 16.623 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 33 24.163 18.639 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 25.299 18.492 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.960 19.662 -7.451 1.00 0.00 H new ATOM 520 N PRO A 34 21.022 16.972 -7.731 1.00 0.00 N ATOM 521 CA PRO A 34 19.579 17.073 -7.382 1.00 0.00 C ATOM 522 C PRO A 34 19.296 16.487 -6.000 1.00 0.00 C ATOM 523 O PRO A 34 19.889 15.476 -5.620 1.00 0.00 O ATOM 524 CB PRO A 34 18.902 16.244 -8.479 1.00 0.00 C ATOM 525 CG PRO A 34 19.902 15.182 -8.822 1.00 0.00 C ATOM 526 CD PRO A 34 21.290 15.802 -8.589 1.00 0.00 C ATOM 0 HA PRO A 34 19.224 18.102 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.967 15.809 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.661 16.857 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.761 14.300 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.789 14.861 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 34 21.965 15.097 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 34 21.758 16.096 -9.528 1.00 0.00 H new ATOM 534 N ARG A 35 18.377 17.106 -5.259 1.00 0.00 N ATOM 535 CA ARG A 35 18.016 16.609 -3.931 1.00 0.00 C ATOM 536 C ARG A 35 16.507 16.565 -3.797 1.00 0.00 C ATOM 537 O ARG A 35 15.830 17.546 -4.106 1.00 0.00 O ATOM 538 CB ARG A 35 18.603 17.522 -2.853 1.00 0.00 C ATOM 539 CG ARG A 35 20.128 17.434 -2.901 1.00 0.00 C ATOM 540 CD ARG A 35 20.732 18.364 -1.848 1.00 0.00 C ATOM 541 NE ARG A 35 22.187 18.261 -1.870 1.00 0.00 N ATOM 542 CZ ARG A 35 22.919 18.988 -2.710 1.00 0.00 C ATOM 543 NH1 ARG A 35 22.336 19.799 -3.550 1.00 0.00 N ATOM 544 NH2 ARG A 35 24.218 18.884 -2.699 1.00 0.00 N1+ ATOM 0 H ARG A 35 17.874 17.944 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 35 18.420 15.605 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.280 18.551 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.240 17.225 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.448 16.408 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.487 17.710 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 35 20.429 19.393 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.355 18.102 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 35 22.652 17.619 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.319 19.876 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.897 20.356 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.673 18.245 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.780 19.441 -3.343 1.00 0.00 H new ATOM 558 N PHE A 36 15.970 15.433 -3.326 1.00 0.00 N ATOM 559 CA PHE A 36 14.520 15.317 -3.160 1.00 0.00 C ATOM 560 C PHE A 36 14.151 15.180 -1.712 1.00 0.00 C ATOM 561 O PHE A 36 14.294 14.116 -1.135 1.00 0.00 O ATOM 562 CB PHE A 36 14.033 14.071 -3.865 1.00 0.00 C ATOM 563 CG PHE A 36 14.408 14.160 -5.301 1.00 0.00 C ATOM 564 CD1 PHE A 36 13.583 14.858 -6.168 1.00 0.00 C ATOM 565 CD2 PHE A 36 15.570 13.553 -5.764 1.00 0.00 C ATOM 566 CE1 PHE A 36 13.908 14.948 -7.519 1.00 0.00 C ATOM 567 CE2 PHE A 36 15.904 13.638 -7.109 1.00 0.00 C ATOM 568 CZ PHE A 36 15.072 14.333 -7.996 1.00 0.00 C ATOM 0 H PHE A 36 16.503 14.605 -3.060 1.00 0.00 H new ATOM 0 HA PHE A 36 14.065 16.217 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.476 13.183 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.952 13.976 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.687 15.333 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.211 13.017 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.265 15.490 -8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.806 13.168 -7.472 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.327 14.394 -9.044 1.00 0.00 H new ATOM 578 N ARG A 37 13.662 16.252 -1.123 1.00 0.00 N ATOM 579 CA ARG A 37 13.273 16.213 0.284 1.00 0.00 C ATOM 580 C ARG A 37 11.757 16.116 0.417 1.00 0.00 C ATOM 581 O ARG A 37 11.035 17.078 0.164 1.00 0.00 O ATOM 582 CB ARG A 37 13.769 17.472 1.000 1.00 0.00 C ATOM 583 CG ARG A 37 15.301 17.475 1.071 1.00 0.00 C ATOM 584 CD ARG A 37 15.779 18.804 1.667 1.00 0.00 C ATOM 585 NE ARG A 37 15.301 18.953 3.040 1.00 0.00 N ATOM 586 CZ ARG A 37 15.481 20.088 3.714 1.00 0.00 C ATOM 587 NH1 ARG A 37 16.098 21.093 3.154 1.00 0.00 N ATOM 588 NH2 ARG A 37 15.038 20.197 4.938 1.00 0.00 N1+ ATOM 0 H ARG A 37 13.523 17.152 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 37 13.725 15.333 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.421 18.360 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.351 17.515 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.650 16.643 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.723 17.337 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.868 18.846 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.418 19.633 1.058 1.00 0.00 H new ATOM 0 HE ARG A 37 14.821 18.174 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.444 21.010 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.234 21.961 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.555 19.413 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.175 21.066 5.455 1.00 0.00 H new ATOM 602 N CYS A 38 11.278 14.937 0.808 1.00 0.00 N ATOM 603 CA CYS A 38 9.841 14.712 0.974 1.00 0.00 C ATOM 604 C CYS A 38 9.506 14.479 2.439 1.00 0.00 C ATOM 605 O CYS A 38 10.130 13.655 3.107 1.00 0.00 O ATOM 606 CB CYS A 38 9.398 13.506 0.147 1.00 0.00 C ATOM 607 SG CYS A 38 9.797 13.795 -1.594 1.00 0.00 S ATOM 0 H CYS A 38 11.860 14.125 1.015 1.00 0.00 H new ATOM 0 HA CYS A 38 9.311 15.599 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.897 12.604 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.327 13.344 0.264 1.00 0.00 H new ATOM 0 HG CYS A 38 11.086 13.754 -1.756 1.00 0.00 H new ATOM 613 N ASN A 39 8.511 15.210 2.931 1.00 0.00 N ATOM 614 CA ASN A 39 8.084 15.083 4.327 1.00 0.00 C ATOM 615 C ASN A 39 6.767 14.328 4.395 1.00 0.00 C ATOM 616 O ASN A 39 5.965 14.387 3.466 1.00 0.00 O ATOM 617 CB ASN A 39 7.909 16.467 4.954 1.00 0.00 C ATOM 618 CG ASN A 39 9.207 17.259 4.834 1.00 0.00 C ATOM 619 OD1 ASN A 39 10.189 16.950 5.506 1.00 0.00 O ATOM 620 ND2 ASN A 39 9.269 18.268 4.007 1.00 0.00 N ATOM 0 H ASN A 39 7.985 15.895 2.389 1.00 0.00 H new ATOM 0 HA ASN A 39 8.848 14.535 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.099 17.001 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.629 16.368 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.134 18.802 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.453 18.522 3.451 1.00 0.00 H new ATOM 627 N VAL A 40 6.542 13.622 5.499 1.00 0.00 N ATOM 628 CA VAL A 40 5.302 12.860 5.675 1.00 0.00 C ATOM 629 C VAL A 40 4.563 13.355 6.907 1.00 0.00 C ATOM 630 O VAL A 40 5.078 13.287 8.020 1.00 0.00 O ATOM 631 CB VAL A 40 5.618 11.363 5.827 1.00 0.00 C ATOM 632 CG1 VAL A 40 6.687 11.160 6.908 1.00 0.00 C ATOM 633 CG2 VAL A 40 4.348 10.602 6.226 1.00 0.00 C ATOM 0 H VAL A 40 7.194 13.559 6.281 1.00 0.00 H new ATOM 0 HA VAL A 40 4.673 13.003 4.796 1.00 0.00 H new ATOM 0 HB VAL A 40 5.988 10.984 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.905 10.097 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.596 11.691 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.321 11.547 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.577 9.542 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.974 10.989 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.588 10.733 5.456 1.00 0.00 H new ATOM 643 N THR A 41 3.344 13.840 6.696 1.00 0.00 N ATOM 644 CA THR A 41 2.522 14.344 7.798 1.00 0.00 C ATOM 645 C THR A 41 1.544 13.270 8.263 1.00 0.00 C ATOM 646 O THR A 41 0.736 12.773 7.478 1.00 0.00 O ATOM 647 CB THR A 41 1.737 15.579 7.344 1.00 0.00 C ATOM 648 OG1 THR A 41 2.641 16.605 6.958 1.00 0.00 O ATOM 649 CG2 THR A 41 0.856 16.077 8.492 1.00 0.00 C ATOM 0 H THR A 41 2.902 13.896 5.778 1.00 0.00 H new ATOM 0 HA THR A 41 3.180 14.613 8.624 1.00 0.00 H new ATOM 0 HB THR A 41 1.108 15.314 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.136 17.393 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.298 16.956 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.159 15.291 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.483 16.339 9.344 1.00 0.00 H new ATOM 657 N PHE A 42 1.618 12.919 9.547 1.00 0.00 N ATOM 658 CA PHE A 42 0.730 11.902 10.113 1.00 0.00 C ATOM 659 C PHE A 42 0.371 12.266 11.555 1.00 0.00 C ATOM 660 O PHE A 42 1.237 12.664 12.334 1.00 0.00 O ATOM 661 CB PHE A 42 1.419 10.520 10.075 1.00 0.00 C ATOM 662 CG PHE A 42 0.373 9.425 10.019 1.00 0.00 C ATOM 663 CD1 PHE A 42 -0.471 9.362 8.914 1.00 0.00 C ATOM 664 CD2 PHE A 42 0.241 8.491 11.056 1.00 0.00 C ATOM 665 CE1 PHE A 42 -1.453 8.375 8.829 1.00 0.00 C ATOM 666 CE2 PHE A 42 -0.745 7.494 10.971 1.00 0.00 C ATOM 667 CZ PHE A 42 -1.589 7.438 9.858 1.00 0.00 C ATOM 0 H PHE A 42 2.279 13.321 10.212 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.183 11.860 9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.074 10.454 9.206 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.046 10.392 10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.365 10.083 8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.894 8.538 11.915 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.107 8.335 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.851 6.771 11.766 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.346 6.671 9.793 1.00 0.00 H new ATOM 677 N CYS A 43 -0.904 12.126 11.907 1.00 0.00 N ATOM 678 CA CYS A 43 -1.352 12.444 13.261 1.00 0.00 C ATOM 679 C CYS A 43 -0.806 13.797 13.712 1.00 0.00 C ATOM 680 O CYS A 43 -0.483 13.990 14.884 1.00 0.00 O ATOM 681 CB CYS A 43 -0.885 11.355 14.227 1.00 0.00 C ATOM 682 SG CYS A 43 -1.523 11.702 15.886 1.00 0.00 S ATOM 0 H CYS A 43 -1.639 11.798 11.281 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.441 12.493 13.260 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.235 10.380 13.888 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.204 11.314 14.246 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.321 12.953 16.176 1.00 0.00 H new ATOM 688 N GLY A 44 -0.723 14.735 12.772 1.00 0.00 N ATOM 689 CA GLY A 44 -0.231 16.074 13.079 1.00 0.00 C ATOM 690 C GLY A 44 1.262 16.059 13.388 1.00 0.00 C ATOM 691 O GLY A 44 1.745 16.859 14.189 1.00 0.00 O ATOM 0 H GLY A 44 -0.988 14.594 11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.423 16.737 12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.777 16.478 13.932 1.00 0.00 H new ATOM 695 N GLN A 45 1.990 15.148 12.746 1.00 0.00 N ATOM 696 CA GLN A 45 3.435 15.034 12.957 1.00 0.00 C ATOM 697 C GLN A 45 4.155 14.883 11.625 1.00 0.00 C ATOM 698 O GLN A 45 3.803 14.027 10.813 1.00 0.00 O ATOM 699 CB GLN A 45 3.734 13.824 13.836 1.00 0.00 C ATOM 700 CG GLN A 45 3.034 13.986 15.186 1.00 0.00 C ATOM 701 CD GLN A 45 3.593 15.197 15.923 1.00 0.00 C ATOM 702 OE1 GLN A 45 2.781 16.133 16.329 1.00 0.00 O flip ATOM 703 NE2 GLN A 45 4.803 15.298 16.125 1.00 0.00 N flip ATOM 0 H GLN A 45 1.607 14.480 12.078 1.00 0.00 H new ATOM 0 HA GLN A 45 3.788 15.940 13.450 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.393 12.912 13.345 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.810 13.725 13.982 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.961 14.105 15.036 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.174 13.088 15.787 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.436 14.565 15.806 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.172 16.115 16.611 1.00 0.00 H new ATOM 712 N THR A 46 5.167 15.723 11.400 1.00 0.00 N ATOM 713 CA THR A 46 5.930 15.677 10.152 1.00 0.00 C ATOM 714 C THR A 46 7.318 15.098 10.379 1.00 0.00 C ATOM 715 O THR A 46 8.193 15.753 10.946 1.00 0.00 O ATOM 716 CB THR A 46 6.063 17.087 9.573 1.00 0.00 C ATOM 717 OG1 THR A 46 6.845 17.884 10.451 1.00 0.00 O ATOM 718 CG2 THR A 46 4.676 17.707 9.415 1.00 0.00 C ATOM 0 H THR A 46 5.475 16.437 12.060 1.00 0.00 H new ATOM 0 HA THR A 46 5.394 15.035 9.453 1.00 0.00 H new ATOM 0 HB THR A 46 6.548 17.037 8.598 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.677 17.414 10.666 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.771 18.711 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.078 17.093 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.188 17.759 10.388 1.00 0.00 H new ATOM 726 N PHE A 47 7.515 13.864 9.920 1.00 0.00 N ATOM 727 CA PHE A 47 8.803 13.192 10.062 1.00 0.00 C ATOM 728 C PHE A 47 9.657 13.432 8.822 1.00 0.00 C ATOM 729 O PHE A 47 9.146 13.447 7.696 1.00 0.00 O ATOM 730 CB PHE A 47 8.599 11.690 10.258 1.00 0.00 C ATOM 731 CG PHE A 47 8.103 11.430 11.658 1.00 0.00 C ATOM 732 CD1 PHE A 47 6.761 11.653 11.964 1.00 0.00 C ATOM 733 CD2 PHE A 47 8.980 10.955 12.642 1.00 0.00 C ATOM 734 CE1 PHE A 47 6.287 11.402 13.256 1.00 0.00 C ATOM 735 CE2 PHE A 47 8.508 10.707 13.936 1.00 0.00 C ATOM 736 CZ PHE A 47 7.162 10.930 14.243 1.00 0.00 C ATOM 0 H PHE A 47 6.800 13.311 9.448 1.00 0.00 H new ATOM 0 HA PHE A 47 9.312 13.599 10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.881 11.311 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.536 11.159 10.088 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.087 12.020 11.203 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.019 10.781 12.402 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.247 11.572 13.492 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.183 10.344 14.697 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.797 10.738 15.241 1.00 0.00 H new ATOM 746 N GLN A 48 10.957 13.619 9.037 1.00 0.00 N ATOM 747 CA GLN A 48 11.885 13.858 7.935 1.00 0.00 C ATOM 748 C GLN A 48 13.287 13.386 8.308 1.00 0.00 C ATOM 749 O GLN A 48 13.701 13.486 9.463 1.00 0.00 O ATOM 750 CB GLN A 48 11.913 15.352 7.596 1.00 0.00 C ATOM 751 CG GLN A 48 12.841 15.609 6.402 1.00 0.00 C ATOM 752 CD GLN A 48 12.334 14.873 5.166 1.00 0.00 C ATOM 753 OE1 GLN A 48 11.133 14.859 4.903 1.00 0.00 O ATOM 754 NE2 GLN A 48 13.181 14.253 4.391 1.00 0.00 N ATOM 0 H GLN A 48 11.390 13.610 9.960 1.00 0.00 H new ATOM 0 HA GLN A 48 11.547 13.296 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.906 15.698 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.255 15.922 8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.895 16.679 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.852 15.278 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.177 14.266 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.847 13.756 3.565 1.00 0.00 H new ATOM 763 N SER A 49 14.013 12.879 7.315 1.00 0.00 N ATOM 764 CA SER A 49 15.375 12.399 7.532 1.00 0.00 C ATOM 765 C SER A 49 16.372 13.545 7.390 1.00 0.00 C ATOM 766 O SER A 49 16.064 14.578 6.798 1.00 0.00 O ATOM 767 CB SER A 49 15.703 11.309 6.513 1.00 0.00 C ATOM 768 OG SER A 49 15.751 11.883 5.214 1.00 0.00 O ATOM 0 H SER A 49 13.682 12.790 6.354 1.00 0.00 H new ATOM 0 HA SER A 49 15.447 11.992 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.659 10.845 6.754 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.949 10.523 6.548 1.00 0.00 H new ATOM 0 HG SER A 49 15.758 11.170 4.541 1.00 0.00 H new ATOM 774 N SER A 50 17.574 13.356 7.927 1.00 0.00 N ATOM 775 CA SER A 50 18.612 14.379 7.845 1.00 0.00 C ATOM 776 C SER A 50 19.424 14.200 6.568 1.00 0.00 C ATOM 777 O SER A 50 20.306 15.001 6.263 1.00 0.00 O ATOM 778 CB SER A 50 19.533 14.290 9.062 1.00 0.00 C ATOM 779 OG SER A 50 20.300 13.096 8.984 1.00 0.00 O ATOM 0 H SER A 50 17.853 12.508 8.421 1.00 0.00 H new ATOM 0 HA SER A 50 18.137 15.360 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.192 15.158 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.944 14.299 9.979 1.00 0.00 H new ATOM 0 HG SER A 50 20.893 13.037 9.762 1.00 0.00 H new ATOM 785 N GLU A 51 19.118 13.136 5.822 1.00 0.00 N ATOM 786 CA GLU A 51 19.822 12.848 4.570 1.00 0.00 C ATOM 787 C GLU A 51 18.883 13.006 3.381 1.00 0.00 C ATOM 788 O GLU A 51 17.688 12.731 3.475 1.00 0.00 O ATOM 789 CB GLU A 51 20.376 11.423 4.593 1.00 0.00 C ATOM 790 CG GLU A 51 21.483 11.327 5.644 1.00 0.00 C ATOM 791 CD GLU A 51 22.008 9.898 5.717 1.00 0.00 C ATOM 792 OE1 GLU A 51 21.534 9.073 4.953 1.00 0.00 O ATOM 793 OE2 GLU A 51 22.879 9.650 6.534 1.00 0.00 O1- ATOM 0 H GLU A 51 18.391 12.462 6.062 1.00 0.00 H new ATOM 0 HA GLU A 51 20.645 13.556 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.580 10.715 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.767 11.157 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.295 12.009 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.100 11.633 6.617 1.00 0.00 H new ATOM 800 N PHE A 52 19.443 13.451 2.263 1.00 0.00 N ATOM 801 CA PHE A 52 18.670 13.655 1.036 1.00 0.00 C ATOM 802 C PHE A 52 18.878 12.479 0.105 1.00 0.00 C ATOM 803 O PHE A 52 19.992 11.993 -0.090 1.00 0.00 O ATOM 804 CB PHE A 52 19.083 14.958 0.324 1.00 0.00 C ATOM 805 CG PHE A 52 20.489 15.292 0.713 1.00 0.00 C ATOM 806 CD1 PHE A 52 20.724 15.690 2.013 1.00 0.00 C ATOM 807 CD2 PHE A 52 21.531 15.205 -0.206 1.00 0.00 C ATOM 808 CE1 PHE A 52 22.020 16.014 2.427 1.00 0.00 C ATOM 809 CE2 PHE A 52 22.836 15.531 0.193 1.00 0.00 C ATOM 810 CZ PHE A 52 23.080 15.938 1.514 1.00 0.00 C ATOM 0 H PHE A 52 20.433 13.679 2.177 1.00 0.00 H new ATOM 0 HA PHE A 52 17.617 13.735 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.008 14.838 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 52 18.411 15.770 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.904 15.752 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 52 21.336 14.888 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 52 22.203 16.321 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 52 23.650 15.469 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.082 16.192 1.826 1.00 0.00 H new ATOM 820 N PHE A 53 17.781 12.039 -0.453 1.00 0.00 N ATOM 821 CA PHE A 53 17.786 10.901 -1.376 1.00 0.00 C ATOM 822 C PHE A 53 18.000 11.374 -2.820 1.00 0.00 C ATOM 823 O PHE A 53 17.603 12.488 -3.172 1.00 0.00 O ATOM 824 CB PHE A 53 16.450 10.145 -1.277 1.00 0.00 C ATOM 825 CG PHE A 53 15.886 10.308 0.114 1.00 0.00 C ATOM 826 CD1 PHE A 53 15.175 11.465 0.445 1.00 0.00 C ATOM 827 CD2 PHE A 53 16.069 9.311 1.067 1.00 0.00 C ATOM 828 CE1 PHE A 53 14.643 11.627 1.728 1.00 0.00 C ATOM 829 CE2 PHE A 53 15.543 9.473 2.349 1.00 0.00 C ATOM 830 CZ PHE A 53 14.829 10.628 2.682 1.00 0.00 C ATOM 0 H PHE A 53 16.859 12.445 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 53 18.605 10.237 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 53 15.746 10.530 -2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 53 16.599 9.089 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 53 15.036 12.239 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 53 16.616 8.415 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.091 12.521 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 53 15.688 8.701 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 53 14.423 10.746 3.676 1.00 0.00 H new ATOM 840 N PRO A 54 18.599 10.555 -3.661 1.00 0.00 N ATOM 841 CA PRO A 54 18.841 10.909 -5.087 1.00 0.00 C ATOM 842 C PRO A 54 17.593 10.724 -5.956 1.00 0.00 C ATOM 843 O PRO A 54 17.615 11.033 -7.145 1.00 0.00 O ATOM 844 CB PRO A 54 19.951 9.942 -5.502 1.00 0.00 C ATOM 845 CG PRO A 54 19.705 8.716 -4.686 1.00 0.00 C ATOM 846 CD PRO A 54 19.118 9.202 -3.354 1.00 0.00 C ATOM 0 HA PRO A 54 19.107 11.958 -5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.908 9.723 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.937 10.361 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.015 8.042 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.630 8.163 -4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.326 8.541 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.877 9.234 -2.572 1.00 0.00 H new ATOM 854 N THR A 55 16.517 10.197 -5.367 1.00 0.00 N ATOM 855 CA THR A 55 15.269 9.957 -6.110 1.00 0.00 C ATOM 856 C THR A 55 14.052 10.418 -5.303 1.00 0.00 C ATOM 857 O THR A 55 14.093 10.477 -4.073 1.00 0.00 O ATOM 858 CB THR A 55 15.149 8.456 -6.435 1.00 0.00 C ATOM 859 OG1 THR A 55 15.723 7.709 -5.372 1.00 0.00 O ATOM 860 CG2 THR A 55 15.879 8.129 -7.741 1.00 0.00 C ATOM 0 H THR A 55 16.480 9.928 -4.384 1.00 0.00 H new ATOM 0 HA THR A 55 15.297 10.532 -7.035 1.00 0.00 H new ATOM 0 HB THR A 55 14.096 8.198 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.796 6.768 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.783 7.064 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.440 8.703 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.934 8.386 -7.643 1.00 0.00 H new ATOM 868 N LEU A 56 12.983 10.768 -6.018 1.00 0.00 N ATOM 869 CA LEU A 56 11.765 11.255 -5.372 1.00 0.00 C ATOM 870 C LEU A 56 11.106 10.168 -4.514 1.00 0.00 C ATOM 871 O LEU A 56 10.960 10.331 -3.301 1.00 0.00 O ATOM 872 CB LEU A 56 10.788 11.757 -6.451 1.00 0.00 C ATOM 873 CG LEU A 56 10.224 13.128 -6.067 1.00 0.00 C ATOM 874 CD1 LEU A 56 9.407 13.659 -7.227 1.00 0.00 C ATOM 875 CD2 LEU A 56 9.336 13.005 -4.824 1.00 0.00 C ATOM 0 H LEU A 56 12.935 10.724 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 56 12.030 12.075 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.300 11.824 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.973 11.043 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 56 11.044 13.811 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.999 14.636 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.043 13.754 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.590 12.970 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.941 13.986 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.510 12.325 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.925 12.616 -3.993 1.00 0.00 H new ATOM 887 N LYS A 57 10.671 9.076 -5.147 1.00 0.00 N ATOM 888 CA LYS A 57 9.991 8.005 -4.429 1.00 0.00 C ATOM 889 C LYS A 57 10.850 7.495 -3.284 1.00 0.00 C ATOM 890 O LYS A 57 10.335 7.088 -2.242 1.00 0.00 O ATOM 891 CB LYS A 57 9.694 6.852 -5.395 1.00 0.00 C ATOM 892 CG LYS A 57 8.651 7.291 -6.424 1.00 0.00 C ATOM 893 CD LYS A 57 8.377 6.132 -7.386 1.00 0.00 C ATOM 894 CE LYS A 57 7.276 6.523 -8.374 1.00 0.00 C ATOM 895 NZ LYS A 57 7.728 7.691 -9.182 1.00 0.00 N1+ ATOM 0 H LYS A 57 10.778 8.914 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 57 9.060 8.397 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.609 6.545 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.330 5.987 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.730 7.589 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.009 8.160 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.288 5.874 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.077 5.246 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.044 5.682 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.361 6.771 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.119 7.790 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.669 8.555 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.712 7.544 -9.485 1.00 0.00 H new ATOM 909 N SER A 58 12.157 7.521 -3.479 1.00 0.00 N ATOM 910 CA SER A 58 13.070 7.061 -2.449 1.00 0.00 C ATOM 911 C SER A 58 12.832 7.842 -1.160 1.00 0.00 C ATOM 912 O SER A 58 12.894 7.285 -0.065 1.00 0.00 O ATOM 913 CB SER A 58 14.514 7.246 -2.913 1.00 0.00 C ATOM 914 OG SER A 58 15.385 7.127 -1.798 1.00 0.00 O ATOM 0 H SER A 58 12.606 7.853 -4.333 1.00 0.00 H new ATOM 0 HA SER A 58 12.892 6.002 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.765 6.499 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.635 8.223 -3.381 1.00 0.00 H new ATOM 0 HG SER A 58 16.291 6.924 -2.111 1.00 0.00 H new ATOM 920 N ALA A 59 12.548 9.131 -1.306 1.00 0.00 N ATOM 921 CA ALA A 59 12.288 9.986 -0.153 1.00 0.00 C ATOM 922 C ALA A 59 10.975 9.601 0.532 1.00 0.00 C ATOM 923 O ALA A 59 10.895 9.566 1.760 1.00 0.00 O ATOM 924 CB ALA A 59 12.216 11.446 -0.600 1.00 0.00 C ATOM 0 H ALA A 59 12.492 9.606 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 59 13.103 9.854 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.022 12.082 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.163 11.734 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.412 11.565 -1.326 1.00 0.00 H new ATOM 930 N GLU A 60 9.949 9.315 -0.267 1.00 0.00 N ATOM 931 CA GLU A 60 8.643 8.940 0.279 1.00 0.00 C ATOM 932 C GLU A 60 8.737 7.635 1.063 1.00 0.00 C ATOM 933 O GLU A 60 8.176 7.513 2.151 1.00 0.00 O ATOM 934 CB GLU A 60 7.635 8.773 -0.858 1.00 0.00 C ATOM 935 CG GLU A 60 7.345 10.135 -1.491 1.00 0.00 C ATOM 936 CD GLU A 60 6.408 9.966 -2.682 1.00 0.00 C ATOM 937 OE1 GLU A 60 6.057 8.835 -2.978 1.00 0.00 O ATOM 938 OE2 GLU A 60 6.054 10.968 -3.280 1.00 0.00 O1- ATOM 0 H GLU A 60 9.994 9.335 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 60 8.314 9.732 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.029 8.088 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.713 8.333 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.894 10.799 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.276 10.601 -1.813 1.00 0.00 H new ATOM 945 N HIS A 61 9.444 6.662 0.501 1.00 0.00 N ATOM 946 CA HIS A 61 9.597 5.370 1.158 1.00 0.00 C ATOM 947 C HIS A 61 10.318 5.534 2.491 1.00 0.00 C ATOM 948 O HIS A 61 9.880 5.011 3.516 1.00 0.00 O ATOM 949 CB HIS A 61 10.392 4.422 0.259 1.00 0.00 C ATOM 950 CG HIS A 61 9.719 4.325 -1.082 1.00 0.00 C ATOM 951 ND1 HIS A 61 10.221 4.321 -2.359 1.00 0.00 N flip ATOM 952 CD2 HIS A 61 8.345 4.218 -1.215 1.00 0.00 C flip ATOM 953 CE1 HIS A 61 9.178 4.215 -3.271 1.00 0.00 C flip ATOM 954 NE2 HIS A 61 8.069 4.158 -2.531 1.00 0.00 N flip ATOM 0 H HIS A 61 9.916 6.741 -0.400 1.00 0.00 H new ATOM 0 HA HIS A 61 8.607 4.953 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.413 4.786 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.456 3.436 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.626 4.188 -0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.250 4.185 -4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.128 4.079 -2.916 1.00 0.00 H new ATOM 962 N ALA A 62 11.426 6.270 2.467 1.00 0.00 N ATOM 963 CA ALA A 62 12.205 6.506 3.677 1.00 0.00 C ATOM 964 C ALA A 62 11.413 7.354 4.666 1.00 0.00 C ATOM 965 O ALA A 62 11.505 7.161 5.879 1.00 0.00 O ATOM 966 CB ALA A 62 13.518 7.210 3.329 1.00 0.00 C ATOM 0 H ALA A 62 11.802 6.711 1.628 1.00 0.00 H new ATOM 0 HA ALA A 62 12.425 5.543 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.092 7.381 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.096 6.586 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.303 8.166 2.851 1.00 0.00 H new ATOM 972 N ALA A 63 10.637 8.297 4.141 1.00 0.00 N ATOM 973 CA ALA A 63 9.837 9.169 4.992 1.00 0.00 C ATOM 974 C ALA A 63 8.882 8.345 5.847 1.00 0.00 C ATOM 975 O ALA A 63 8.785 8.546 7.056 1.00 0.00 O ATOM 976 CB ALA A 63 9.038 10.149 4.127 1.00 0.00 C ATOM 0 H ALA A 63 10.546 8.476 3.141 1.00 0.00 H new ATOM 0 HA ALA A 63 10.506 9.726 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.442 10.798 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.724 10.755 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.379 9.592 3.461 1.00 0.00 H new ATOM 982 N ALA A 64 8.177 7.416 5.212 1.00 0.00 N ATOM 983 CA ALA A 64 7.236 6.570 5.931 1.00 0.00 C ATOM 984 C ALA A 64 7.968 5.641 6.905 1.00 0.00 C ATOM 985 O ALA A 64 7.445 5.317 7.965 1.00 0.00 O ATOM 986 CB ALA A 64 6.396 5.755 4.942 1.00 0.00 C ATOM 0 H ALA A 64 8.239 7.231 4.211 1.00 0.00 H new ATOM 0 HA ALA A 64 6.573 7.211 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.696 5.126 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.842 6.432 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.052 5.127 4.339 1.00 0.00 H new ATOM 992 N LYS A 65 9.174 5.211 6.536 1.00 0.00 N ATOM 993 CA LYS A 65 9.955 4.311 7.385 1.00 0.00 C ATOM 994 C LYS A 65 10.136 4.896 8.785 1.00 0.00 C ATOM 995 O LYS A 65 9.928 4.208 9.783 1.00 0.00 O ATOM 996 CB LYS A 65 11.328 4.080 6.749 1.00 0.00 C ATOM 997 CG LYS A 65 12.099 3.031 7.549 1.00 0.00 C ATOM 998 CD LYS A 65 13.445 2.771 6.872 1.00 0.00 C ATOM 999 CE LYS A 65 14.213 1.710 7.660 1.00 0.00 C ATOM 1000 NZ LYS A 65 13.480 0.414 7.589 1.00 0.00 N1+ ATOM 0 H LYS A 65 9.630 5.469 5.661 1.00 0.00 H new ATOM 0 HA LYS A 65 9.418 3.367 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.210 3.749 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.888 5.015 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.253 3.377 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.524 2.107 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.290 2.437 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.024 3.693 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.218 1.595 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.324 2.022 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.130 -0.366 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.697 0.420 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.101 0.282 6.630 1.00 0.00 H new ATOM 1014 N ILE A 66 10.517 6.163 8.856 1.00 0.00 N ATOM 1015 CA ILE A 66 10.706 6.814 10.142 1.00 0.00 C ATOM 1016 C ILE A 66 9.353 7.119 10.793 1.00 0.00 C ATOM 1017 O ILE A 66 9.227 7.111 12.017 1.00 0.00 O ATOM 1018 CB ILE A 66 11.516 8.099 9.947 1.00 0.00 C ATOM 1019 CG1 ILE A 66 10.873 8.954 8.851 1.00 0.00 C ATOM 1020 CG2 ILE A 66 12.949 7.746 9.542 1.00 0.00 C ATOM 1021 CD1 ILE A 66 11.586 10.306 8.758 1.00 0.00 C ATOM 0 H ILE A 66 10.700 6.755 8.046 1.00 0.00 H new ATOM 0 HA ILE A 66 11.254 6.146 10.806 1.00 0.00 H new ATOM 0 HB ILE A 66 11.530 8.660 10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.930 8.436 7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.816 9.105 9.069 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.524 8.662 9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.410 7.143 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.935 7.182 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.123 10.908 7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.506 10.826 9.713 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.637 10.147 8.519 1.00 0.00 H new ATOM 1033 N ALA A 67 8.353 7.396 9.960 1.00 0.00 N ATOM 1034 CA ALA A 67 7.011 7.714 10.454 1.00 0.00 C ATOM 1035 C ALA A 67 6.339 6.497 11.096 1.00 0.00 C ATOM 1036 O ALA A 67 5.825 6.580 12.210 1.00 0.00 O ATOM 1037 CB ALA A 67 6.145 8.221 9.297 1.00 0.00 C ATOM 0 H ALA A 67 8.443 7.407 8.944 1.00 0.00 H new ATOM 0 HA ALA A 67 7.111 8.486 11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.147 8.457 9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.596 9.117 8.871 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.075 7.450 8.530 1.00 0.00 H new ATOM 1043 N VAL A 68 6.341 5.376 10.387 1.00 0.00 N ATOM 1044 CA VAL A 68 5.717 4.160 10.897 1.00 0.00 C ATOM 1045 C VAL A 68 6.453 3.661 12.134 1.00 0.00 C ATOM 1046 O VAL A 68 5.854 3.051 13.019 1.00 0.00 O ATOM 1047 CB VAL A 68 5.708 3.071 9.819 1.00 0.00 C ATOM 1048 CG1 VAL A 68 7.137 2.612 9.532 1.00 0.00 C ATOM 1049 CG2 VAL A 68 4.879 1.881 10.303 1.00 0.00 C ATOM 0 H VAL A 68 6.764 5.282 9.464 1.00 0.00 H new ATOM 0 HA VAL A 68 4.688 4.393 11.171 1.00 0.00 H new ATOM 0 HB VAL A 68 5.270 3.475 8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.123 1.838 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.728 3.459 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.581 2.212 10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.872 1.106 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.316 1.482 11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.857 2.205 10.500 1.00 0.00 H new ATOM 1059 N ALA A 69 7.752 3.932 12.195 1.00 0.00 N ATOM 1060 CA ALA A 69 8.561 3.519 13.332 1.00 0.00 C ATOM 1061 C ALA A 69 8.187 4.310 14.583 1.00 0.00 C ATOM 1062 O ALA A 69 8.246 3.789 15.698 1.00 0.00 O ATOM 1063 CB ALA A 69 10.045 3.721 13.015 1.00 0.00 C ATOM 0 H ALA A 69 8.265 4.435 11.471 1.00 0.00 H new ATOM 0 HA ALA A 69 8.370 2.463 13.523 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.645 3.410 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.316 3.123 12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.232 4.774 12.804 1.00 0.00 H new ATOM 1069 N SER A 70 7.808 5.572 14.394 1.00 0.00 N ATOM 1070 CA SER A 70 7.433 6.422 15.522 1.00 0.00 C ATOM 1071 C SER A 70 6.142 5.923 16.163 1.00 0.00 C ATOM 1072 O SER A 70 5.992 5.945 17.384 1.00 0.00 O ATOM 1073 CB SER A 70 7.247 7.867 15.056 1.00 0.00 C ATOM 1074 OG SER A 70 6.202 7.922 14.095 1.00 0.00 O ATOM 0 H SER A 70 7.753 6.025 13.482 1.00 0.00 H new ATOM 0 HA SER A 70 8.234 6.382 16.261 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.009 8.507 15.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.174 8.243 14.623 1.00 0.00 H new ATOM 0 HG SER A 70 6.495 7.487 13.267 1.00 0.00 H new ATOM 1080 N LEU A 71 5.211 5.473 15.328 1.00 0.00 N ATOM 1081 CA LEU A 71 3.932 4.965 15.818 1.00 0.00 C ATOM 1082 C LEU A 71 4.130 3.670 16.599 1.00 0.00 C ATOM 1083 O LEU A 71 3.387 3.380 17.537 1.00 0.00 O ATOM 1084 CB LEU A 71 2.978 4.717 14.649 1.00 0.00 C ATOM 1085 CG LEU A 71 2.889 5.974 13.781 1.00 0.00 C ATOM 1086 CD1 LEU A 71 1.937 5.715 12.611 1.00 0.00 C ATOM 1087 CD2 LEU A 71 2.379 7.157 14.618 1.00 0.00 C ATOM 0 H LEU A 71 5.316 5.449 14.314 1.00 0.00 H new ATOM 0 HA LEU A 71 3.501 5.714 16.482 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.330 3.875 14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.990 4.451 15.024 1.00 0.00 H new ATOM 0 HG LEU A 71 3.879 6.218 13.397 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.871 6.609 11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.313 4.885 12.013 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.948 5.467 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.319 8.047 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.390 6.924 15.013 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.065 7.341 15.444 1.00 0.00 H new ATOM 1099 N THR A 72 5.135 2.896 16.207 1.00 0.00 N ATOM 1100 CA THR A 72 5.420 1.633 16.879 1.00 0.00 C ATOM 1101 C THR A 72 6.832 1.159 16.553 1.00 0.00 C ATOM 1102 O THR A 72 6.993 0.487 15.548 1.00 0.00 O ATOM 1103 CB THR A 72 4.407 0.572 16.440 1.00 0.00 C ATOM 1104 OG1 THR A 72 3.090 1.074 16.623 1.00 0.00 O ATOM 1105 CG2 THR A 72 4.594 -0.693 17.279 1.00 0.00 C ATOM 1106 OXT THR A 72 7.730 1.474 17.315 1.00 0.00 O ATOM 0 H THR A 72 5.762 3.118 15.434 1.00 0.00 H new ATOM 0 HA THR A 72 5.343 1.788 17.955 1.00 0.00 H new ATOM 0 HB THR A 72 4.563 0.333 15.388 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.079 1.695 17.381 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.872 -1.447 16.966 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.604 -1.077 17.138 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.439 -0.458 18.332 1.00 0.00 H new TER 1114 THR A 72