USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= 0.409 K(o=0.87,f=-1.3!) USER MOD Set 1.2: A 107 TYR OH : rot 136:sc= 0.463 USER MOD Set 2.1: A 82 CYS SG : rot -164:sc= -1.53! USER MOD Set 2.2: A 86 ASN : amide:sc= -0.215 X(o=-1.7,f=-2.1) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 167:sc= 2.12 (180deg=1.56) USER MOD Set 3.2: A 65 TYR OH : rot 50:sc= -0.0361 USER MOD Set 4.1: A 11 ASN : amide:sc= 1.05 K(o=2.3,f=-10!) USER MOD Set 4.2: A 57 LYS NZ :NH3+ -131:sc= 1.26 (180deg=-0.027) USER MOD Set 5.1: A 54 SER OG : rot -91:sc= 1.07 USER MOD Set 5.2: A 55 THR OG1 : rot 143:sc= 0.718 USER MOD Set 6.1: A 22 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.8) USER MOD Set 6.2: A 25 TYR OH : rot -24:sc= 0.0304 USER MOD Set 7.1: A 10 CYS SG : rot -21:sc= -2.25! USER MOD Set 7.2: A 60 MET CE :methyl -152:sc= -2.91 (180deg=-1.02) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.589 K(o=0.59,f=-0.6) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc=-0.00473 (180deg=-0.0939) USER MOD Single : A 9 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 56:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.171) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.265 USER MOD Single : A 31 LYS NZ :NH3+ -109:sc= -0.634 (180deg=-2.64!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-1.4) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.154) USER MOD Single : A 49 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-5.3!) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.0331 (180deg=-1.26) USER MOD Single : A 62 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.0086) USER MOD Single : A 78 MET CE :methyl -129:sc= -0.697 (180deg=-4.18!) USER MOD Single : A 80 SER OG : rot 72:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2.1!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0249 USER MOD Single : A 84 LYS NZ :NH3+ 171:sc=-0.00988 (180deg=-0.155) USER MOD Single : A 85 TYR OH : rot -116:sc= 1.17 USER MOD Single : A 90 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.8!) USER MOD Single : A 95 MET CE :methyl -110:sc= -0.575 (180deg=-2.91!) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0948 (180deg=-0.417) USER MOD Single : A 100 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.51) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 158:sc= -3.13 (180deg=-4.4!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 288 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 291 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.3!) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.285 11.182 -3.937 1.00 0.00 N ATOM 2 CA GLY A 1 22.389 9.785 -3.461 1.00 0.00 C ATOM 3 C GLY A 1 21.874 8.794 -4.482 1.00 0.00 C ATOM 4 O GLY A 1 20.770 8.949 -5.013 1.00 0.00 O ATOM 0 H1 GLY A 1 22.649 11.826 -3.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.844 11.295 -4.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.289 11.409 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.430 9.558 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.825 9.676 -2.534 1.00 0.00 H new ATOM 10 N LYS A 2 22.666 7.766 -4.753 1.00 0.00 N ATOM 11 CA LYS A 2 22.300 6.750 -5.731 1.00 0.00 C ATOM 12 C LYS A 2 21.632 5.565 -5.042 1.00 0.00 C ATOM 13 O LYS A 2 21.851 4.415 -5.420 1.00 0.00 O ATOM 14 CB LYS A 2 23.538 6.279 -6.496 1.00 0.00 C ATOM 15 CG LYS A 2 24.228 7.371 -7.299 1.00 0.00 C ATOM 16 CD LYS A 2 23.349 7.884 -8.429 1.00 0.00 C ATOM 17 CE LYS A 2 24.106 8.854 -9.323 1.00 0.00 C ATOM 18 NZ LYS A 2 23.270 9.341 -10.453 1.00 0.00 N ATOM 0 H LYS A 2 23.571 7.613 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 2 21.595 7.189 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.251 5.859 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.249 5.474 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.489 8.198 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.160 6.985 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.990 7.044 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.471 8.379 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.445 9.704 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.997 8.364 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.825 9.999 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.967 8.533 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.433 9.831 -10.079 1.00 0.00 H new ATOM 32 N LEU A 3 20.821 5.869 -4.030 1.00 0.00 N ATOM 33 CA LEU A 3 20.137 4.858 -3.227 1.00 0.00 C ATOM 34 C LEU A 3 21.130 4.027 -2.427 1.00 0.00 C ATOM 35 O LEU A 3 21.710 3.063 -2.931 1.00 0.00 O ATOM 36 CB LEU A 3 19.272 3.932 -4.081 1.00 0.00 C ATOM 37 CG LEU A 3 18.063 4.578 -4.758 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.434 3.605 -5.742 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.040 5.015 -3.719 1.00 0.00 C ATOM 0 H LEU A 3 20.619 6.827 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 3 19.485 5.399 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.902 3.489 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.918 3.116 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 3 18.399 5.461 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.574 4.075 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.166 3.332 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.111 2.709 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.186 5.473 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.705 4.147 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.495 5.738 -3.042 1.00 0.00 H new ATOM 51 N SER A 4 21.311 4.414 -1.178 1.00 0.00 N ATOM 52 CA SER A 4 22.172 3.690 -0.260 1.00 0.00 C ATOM 53 C SER A 4 21.564 2.326 0.079 1.00 0.00 C ATOM 54 O SER A 4 20.470 2.009 -0.382 1.00 0.00 O ATOM 55 CB SER A 4 22.374 4.520 1.004 1.00 0.00 C ATOM 56 OG SER A 4 22.886 5.805 0.689 1.00 0.00 O ATOM 0 H SER A 4 20.867 5.237 -0.771 1.00 0.00 H new ATOM 0 HA SER A 4 23.140 3.519 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.426 4.621 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.061 4.005 1.676 1.00 0.00 H new ATOM 0 HG SER A 4 23.006 6.320 1.514 1.00 0.00 H new ATOM 62 N GLU A 5 22.261 1.537 0.896 1.00 0.00 N ATOM 63 CA GLU A 5 21.838 0.169 1.207 1.00 0.00 C ATOM 64 C GLU A 5 20.371 0.103 1.641 1.00 0.00 C ATOM 65 O GLU A 5 19.597 -0.699 1.115 1.00 0.00 O ATOM 66 CB GLU A 5 22.723 -0.421 2.306 1.00 0.00 C ATOM 67 CG GLU A 5 22.368 -1.857 2.661 1.00 0.00 C ATOM 68 CD GLU A 5 23.136 -2.368 3.858 1.00 0.00 C ATOM 69 OE1 GLU A 5 24.030 -3.222 3.680 1.00 0.00 O ATOM 70 OE2 GLU A 5 22.852 -1.912 4.986 1.00 0.00 O ATOM 0 H GLU A 5 23.125 1.822 1.357 1.00 0.00 H new ATOM 0 HA GLU A 5 21.943 -0.415 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.764 -0.381 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.641 0.197 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.299 -1.923 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 5 22.569 -2.499 1.804 1.00 0.00 H new ATOM 77 N GLN A 6 19.988 0.958 2.584 1.00 0.00 N ATOM 78 CA GLN A 6 18.626 0.955 3.110 1.00 0.00 C ATOM 79 C GLN A 6 17.617 1.312 2.013 1.00 0.00 C ATOM 80 O GLN A 6 16.594 0.645 1.865 1.00 0.00 O ATOM 81 CB GLN A 6 18.488 1.928 4.295 1.00 0.00 C ATOM 82 CG GLN A 6 19.069 1.429 5.624 1.00 0.00 C ATOM 83 CD GLN A 6 20.448 0.796 5.512 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.468 1.478 5.606 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.487 -0.516 5.350 1.00 0.00 N ATOM 0 H GLN A 6 20.600 1.661 2.999 1.00 0.00 H new ATOM 0 HA GLN A 6 18.411 -0.053 3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.978 2.866 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.431 2.150 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.123 2.266 6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.383 0.700 6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.619 -1.047 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.385 -0.997 5.299 1.00 0.00 H new ATOM 94 N LEU A 7 17.923 2.338 1.224 1.00 0.00 N ATOM 95 CA LEU A 7 17.007 2.793 0.177 1.00 0.00 C ATOM 96 C LEU A 7 17.050 1.872 -1.043 1.00 0.00 C ATOM 97 O LEU A 7 16.114 1.826 -1.839 1.00 0.00 O ATOM 98 CB LEU A 7 17.315 4.238 -0.231 1.00 0.00 C ATOM 99 CG LEU A 7 16.983 5.288 0.828 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.439 6.664 0.373 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.492 5.302 1.126 1.00 0.00 C ATOM 0 H LEU A 7 18.792 2.869 1.287 1.00 0.00 H new ATOM 0 HA LEU A 7 15.998 2.758 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.374 4.313 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.759 4.470 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 7 17.515 5.027 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.195 7.400 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.517 6.655 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.933 6.926 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.279 6.057 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.941 5.536 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.185 4.323 1.494 1.00 0.00 H new ATOM 113 N LYS A 8 18.128 1.133 -1.197 1.00 0.00 N ATOM 114 CA LYS A 8 18.200 0.139 -2.248 1.00 0.00 C ATOM 115 C LYS A 8 17.375 -1.071 -1.848 1.00 0.00 C ATOM 116 O LYS A 8 16.711 -1.689 -2.680 1.00 0.00 O ATOM 117 CB LYS A 8 19.654 -0.253 -2.514 1.00 0.00 C ATOM 118 CG LYS A 8 19.833 -1.261 -3.644 1.00 0.00 C ATOM 119 CD LYS A 8 19.251 -0.755 -4.960 1.00 0.00 C ATOM 120 CE LYS A 8 19.869 0.571 -5.386 1.00 0.00 C ATOM 121 NZ LYS A 8 21.344 0.477 -5.547 1.00 0.00 N ATOM 0 H LYS A 8 18.961 1.200 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 8 17.795 0.555 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.223 0.646 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.079 -0.669 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.894 -1.474 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.351 -2.200 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.417 -1.499 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.172 -0.636 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.422 0.893 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.634 1.334 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.706 1.365 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.785 0.313 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.574 -0.312 -6.184 1.00 0.00 H new ATOM 135 N HIS A 9 17.395 -1.385 -0.558 1.00 0.00 N ATOM 136 CA HIS A 9 16.597 -2.480 -0.041 1.00 0.00 C ATOM 137 C HIS A 9 15.117 -2.123 -0.116 1.00 0.00 C ATOM 138 O HIS A 9 14.276 -2.989 -0.354 1.00 0.00 O ATOM 139 CB HIS A 9 16.982 -2.817 1.404 1.00 0.00 C ATOM 140 CG HIS A 9 16.701 -4.247 1.777 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.679 -5.122 2.199 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.545 -4.952 1.791 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.138 -6.299 2.452 1.00 0.00 C ATOM 144 NE2 HIS A 9 15.842 -6.222 2.214 1.00 0.00 N ATOM 0 H HIS A 9 17.953 -0.897 0.143 1.00 0.00 H new ATOM 0 HA HIS A 9 16.791 -3.360 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.043 -2.613 1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.437 -2.159 2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.568 -4.582 1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.666 -7.176 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.172 -6.982 2.326 1.00 0.00 H new ATOM 153 N CYS A 10 14.797 -0.843 0.077 1.00 0.00 N ATOM 154 CA CYS A 10 13.411 -0.406 0.006 1.00 0.00 C ATOM 155 C CYS A 10 12.919 -0.466 -1.434 1.00 0.00 C ATOM 156 O CYS A 10 11.740 -0.717 -1.689 1.00 0.00 O ATOM 157 CB CYS A 10 13.227 1.006 0.597 1.00 0.00 C ATOM 158 SG CYS A 10 13.791 2.377 -0.432 1.00 0.00 S ATOM 0 H CYS A 10 15.470 -0.104 0.280 1.00 0.00 H new ATOM 0 HA CYS A 10 12.810 -1.085 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.169 1.152 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.756 1.051 1.549 1.00 0.00 H new ATOM 0 HG CYS A 10 14.660 1.943 -1.295 1.00 0.00 H new ATOM 164 N ASN A 11 13.841 -0.268 -2.372 1.00 0.00 N ATOM 165 CA ASN A 11 13.522 -0.374 -3.788 1.00 0.00 C ATOM 166 C ASN A 11 13.203 -1.822 -4.143 1.00 0.00 C ATOM 167 O ASN A 11 12.268 -2.105 -4.895 1.00 0.00 O ATOM 168 CB ASN A 11 14.698 0.120 -4.639 1.00 0.00 C ATOM 169 CG ASN A 11 14.354 0.190 -6.116 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.219 0.490 -6.491 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.325 -0.103 -6.969 1.00 0.00 N ATOM 0 H ASN A 11 14.814 -0.034 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 11 12.651 0.248 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.004 1.107 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.550 -0.545 -4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.145 -0.085 -7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.253 -0.347 -6.622 1.00 0.00 H new ATOM 178 N GLY A 12 13.975 -2.735 -3.562 1.00 0.00 N ATOM 179 CA GLY A 12 13.811 -4.149 -3.845 1.00 0.00 C ATOM 180 C GLY A 12 12.520 -4.710 -3.284 1.00 0.00 C ATOM 181 O GLY A 12 11.850 -5.517 -3.932 1.00 0.00 O ATOM 0 H GLY A 12 14.716 -2.518 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.832 -4.305 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.654 -4.699 -3.427 1.00 0.00 H new ATOM 185 N ILE A 13 12.173 -4.289 -2.075 1.00 0.00 N ATOM 186 CA ILE A 13 10.932 -4.716 -1.440 1.00 0.00 C ATOM 187 C ILE A 13 9.730 -4.238 -2.244 1.00 0.00 C ATOM 188 O ILE A 13 8.822 -5.014 -2.547 1.00 0.00 O ATOM 189 CB ILE A 13 10.831 -4.183 0.005 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.948 -4.777 0.874 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.465 -4.484 0.598 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.007 -4.202 2.271 1.00 0.00 C ATOM 0 H ILE A 13 12.735 -3.650 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 13 10.936 -5.806 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 13 10.954 -3.100 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.808 -5.856 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.906 -4.610 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.418 -4.099 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.693 -4.008 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.303 -5.562 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.821 -4.671 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.179 -3.127 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.064 -4.393 2.783 1.00 0.00 H new ATOM 204 N LEU A 14 9.747 -2.960 -2.604 1.00 0.00 N ATOM 205 CA LEU A 14 8.684 -2.364 -3.390 1.00 0.00 C ATOM 206 C LEU A 14 8.511 -3.103 -4.711 1.00 0.00 C ATOM 207 O LEU A 14 7.395 -3.425 -5.111 1.00 0.00 O ATOM 208 CB LEU A 14 9.011 -0.900 -3.656 1.00 0.00 C ATOM 209 CG LEU A 14 7.819 0.036 -3.623 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.309 1.463 -3.568 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.929 -0.168 -4.837 1.00 0.00 C ATOM 0 H LEU A 14 10.497 -2.314 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 14 7.751 -2.437 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.738 -0.565 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.490 -0.821 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 14 7.225 -0.183 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.455 2.140 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.911 1.607 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.915 1.674 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.082 0.517 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.501 0.028 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.565 -1.195 -4.853 1.00 0.00 H new ATOM 223 N LYS A 15 9.632 -3.377 -5.369 1.00 0.00 N ATOM 224 CA LYS A 15 9.638 -4.095 -6.626 1.00 0.00 C ATOM 225 C LYS A 15 8.943 -5.444 -6.483 1.00 0.00 C ATOM 226 O LYS A 15 8.222 -5.883 -7.377 1.00 0.00 O ATOM 227 CB LYS A 15 11.086 -4.271 -7.089 1.00 0.00 C ATOM 228 CG LYS A 15 11.355 -5.609 -7.734 1.00 0.00 C ATOM 229 CD LYS A 15 10.903 -5.666 -9.178 1.00 0.00 C ATOM 230 CE LYS A 15 11.477 -6.892 -9.858 1.00 0.00 C ATOM 231 NZ LYS A 15 10.821 -7.177 -11.161 1.00 0.00 N ATOM 0 H LYS A 15 10.559 -3.105 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 15 9.087 -3.524 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.331 -3.480 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.750 -4.149 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.423 -5.823 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.846 -6.389 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.814 -5.691 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.224 -4.766 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.546 -6.749 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.364 -7.755 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.248 -8.024 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.805 -7.340 -11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.950 -6.366 -11.799 1.00 0.00 H new ATOM 245 N GLU A 16 9.140 -6.078 -5.344 1.00 0.00 N ATOM 246 CA GLU A 16 8.592 -7.408 -5.111 1.00 0.00 C ATOM 247 C GLU A 16 7.082 -7.344 -4.947 1.00 0.00 C ATOM 248 O GLU A 16 6.349 -8.121 -5.559 1.00 0.00 O ATOM 249 CB GLU A 16 9.209 -8.056 -3.869 1.00 0.00 C ATOM 250 CG GLU A 16 8.636 -9.433 -3.551 1.00 0.00 C ATOM 251 CD GLU A 16 8.639 -9.742 -2.078 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.051 -8.874 -1.289 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.229 -10.866 -1.707 1.00 0.00 O ATOM 0 H GLU A 16 9.675 -5.697 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 16 8.837 -8.017 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.286 -8.144 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.054 -7.400 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.615 -9.492 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.214 -10.192 -4.078 1.00 0.00 H new ATOM 260 N LEU A 17 6.625 -6.409 -4.125 1.00 0.00 N ATOM 261 CA LEU A 17 5.194 -6.204 -3.913 1.00 0.00 C ATOM 262 C LEU A 17 4.527 -5.819 -5.242 1.00 0.00 C ATOM 263 O LEU A 17 3.330 -6.026 -5.438 1.00 0.00 O ATOM 264 CB LEU A 17 4.973 -5.114 -2.848 1.00 0.00 C ATOM 265 CG LEU A 17 5.593 -5.387 -1.471 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.774 -4.082 -0.720 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.721 -6.326 -0.650 1.00 0.00 C ATOM 0 H LEU A 17 7.224 -5.778 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 17 4.741 -7.128 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.377 -4.175 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.900 -4.971 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 17 6.561 -5.863 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.214 -4.282 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.433 -3.424 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.805 -3.600 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.187 -6.500 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.738 -5.877 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.612 -7.275 -1.176 1.00 0.00 H new ATOM 279 N LEU A 18 5.333 -5.288 -6.160 1.00 0.00 N ATOM 280 CA LEU A 18 4.864 -4.900 -7.489 1.00 0.00 C ATOM 281 C LEU A 18 5.014 -6.035 -8.505 1.00 0.00 C ATOM 282 O LEU A 18 4.474 -5.966 -9.611 1.00 0.00 O ATOM 283 CB LEU A 18 5.652 -3.697 -7.989 1.00 0.00 C ATOM 284 CG LEU A 18 5.377 -2.390 -7.261 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.255 -1.295 -7.826 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.913 -2.004 -7.362 1.00 0.00 C ATOM 0 H LEU A 18 6.326 -5.115 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 18 3.806 -4.655 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.716 -3.921 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.435 -3.556 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 18 5.611 -2.527 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.054 -0.361 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.303 -1.566 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.041 -1.168 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.747 -1.066 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.640 -1.882 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.299 -2.786 -6.916 1.00 0.00 H new ATOM 298 N SER A 19 5.776 -7.053 -8.147 1.00 0.00 N ATOM 299 CA SER A 19 6.026 -8.178 -9.042 1.00 0.00 C ATOM 300 C SER A 19 4.785 -9.059 -9.199 1.00 0.00 C ATOM 301 O SER A 19 3.923 -9.123 -8.316 1.00 0.00 O ATOM 302 CB SER A 19 7.199 -9.012 -8.526 1.00 0.00 C ATOM 303 OG SER A 19 8.399 -8.255 -8.514 1.00 0.00 O ATOM 0 H SER A 19 6.236 -7.127 -7.240 1.00 0.00 H new ATOM 0 HA SER A 19 6.275 -7.773 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.980 -9.369 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.327 -9.893 -9.155 1.00 0.00 H new ATOM 0 HG SER A 19 8.269 -7.444 -7.980 1.00 0.00 H new ATOM 309 N LYS A 20 4.732 -9.758 -10.336 1.00 0.00 N ATOM 310 CA LYS A 20 3.578 -10.571 -10.720 1.00 0.00 C ATOM 311 C LYS A 20 3.330 -11.703 -9.738 1.00 0.00 C ATOM 312 O LYS A 20 2.238 -12.261 -9.697 1.00 0.00 O ATOM 313 CB LYS A 20 3.765 -11.148 -12.130 1.00 0.00 C ATOM 314 CG LYS A 20 3.350 -10.200 -13.257 1.00 0.00 C ATOM 315 CD LYS A 20 4.098 -8.874 -13.218 1.00 0.00 C ATOM 316 CE LYS A 20 3.631 -7.935 -14.325 1.00 0.00 C ATOM 317 NZ LYS A 20 4.384 -6.654 -14.320 1.00 0.00 N ATOM 0 H LYS A 20 5.491 -9.775 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 20 2.709 -9.913 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.813 -11.417 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.187 -12.068 -12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.528 -10.684 -14.217 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.279 -10.010 -13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.947 -8.399 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.168 -9.056 -13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.753 -8.424 -15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.567 -7.731 -14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.036 -6.044 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.247 -6.174 -13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.396 -6.846 -14.462 1.00 0.00 H new ATOM 331 N LYS A 21 4.348 -12.040 -8.958 1.00 0.00 N ATOM 332 CA LYS A 21 4.223 -13.049 -7.913 1.00 0.00 C ATOM 333 C LYS A 21 3.192 -12.630 -6.864 1.00 0.00 C ATOM 334 O LYS A 21 2.531 -13.469 -6.251 1.00 0.00 O ATOM 335 CB LYS A 21 5.584 -13.283 -7.251 1.00 0.00 C ATOM 336 CG LYS A 21 5.501 -14.038 -5.937 1.00 0.00 C ATOM 337 CD LYS A 21 6.859 -14.211 -5.302 1.00 0.00 C ATOM 338 CE LYS A 21 6.776 -15.194 -4.154 1.00 0.00 C ATOM 339 NZ LYS A 21 6.630 -16.594 -4.626 1.00 0.00 N ATOM 0 H LYS A 21 5.277 -11.626 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 21 3.880 -13.977 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.222 -13.838 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.064 -12.320 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.845 -13.502 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.053 -15.017 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.573 -14.567 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.226 -13.250 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.673 -15.111 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.929 -14.936 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.830 -17.247 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.659 -16.747 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.299 -16.770 -5.403 1.00 0.00 H new ATOM 353 N HIS A 22 3.049 -11.327 -6.662 1.00 0.00 N ATOM 354 CA HIS A 22 2.135 -10.820 -5.649 1.00 0.00 C ATOM 355 C HIS A 22 0.963 -10.090 -6.289 1.00 0.00 C ATOM 356 O HIS A 22 -0.031 -9.825 -5.623 1.00 0.00 O ATOM 357 CB HIS A 22 2.870 -9.883 -4.675 1.00 0.00 C ATOM 358 CG HIS A 22 4.006 -10.547 -3.951 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.848 -11.240 -2.767 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.325 -10.621 -4.252 1.00 0.00 C ATOM 361 CE1 HIS A 22 5.017 -11.707 -2.371 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.935 -11.346 -3.252 1.00 0.00 N ATOM 0 H HIS A 22 3.550 -10.607 -7.182 1.00 0.00 H new ATOM 0 HA HIS A 22 1.748 -11.673 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.253 -9.025 -5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.158 -9.500 -3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.809 -10.191 -5.116 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.194 -12.287 -1.477 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.929 -11.568 -3.200 1.00 0.00 H new ATOM 371 N ALA A 23 1.079 -9.803 -7.585 1.00 0.00 N ATOM 372 CA ALA A 23 0.092 -9.005 -8.320 1.00 0.00 C ATOM 373 C ALA A 23 -1.346 -9.462 -8.081 1.00 0.00 C ATOM 374 O ALA A 23 -2.258 -8.637 -8.005 1.00 0.00 O ATOM 375 CB ALA A 23 0.412 -9.040 -9.803 1.00 0.00 C ATOM 0 H ALA A 23 1.862 -10.117 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 23 0.160 -7.984 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.322 -8.447 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.407 -8.628 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.381 -10.070 -10.158 1.00 0.00 H new ATOM 381 N ALA A 24 -1.530 -10.770 -7.945 1.00 0.00 N ATOM 382 CA ALA A 24 -2.849 -11.363 -7.728 1.00 0.00 C ATOM 383 C ALA A 24 -3.565 -10.752 -6.524 1.00 0.00 C ATOM 384 O ALA A 24 -4.790 -10.672 -6.493 1.00 0.00 O ATOM 385 CB ALA A 24 -2.695 -12.859 -7.530 1.00 0.00 C ATOM 0 H ALA A 24 -0.771 -11.451 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.460 -11.156 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.675 -13.307 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.237 -13.298 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.062 -13.048 -6.663 1.00 0.00 H new ATOM 391 N TYR A 25 -2.796 -10.325 -5.536 1.00 0.00 N ATOM 392 CA TYR A 25 -3.355 -9.746 -4.323 1.00 0.00 C ATOM 393 C TYR A 25 -2.617 -8.461 -3.951 1.00 0.00 C ATOM 394 O TYR A 25 -2.686 -7.994 -2.816 1.00 0.00 O ATOM 395 CB TYR A 25 -3.313 -10.776 -3.181 1.00 0.00 C ATOM 396 CG TYR A 25 -2.023 -11.561 -3.088 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.870 -10.990 -2.578 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.970 -12.888 -3.502 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.302 -11.713 -2.487 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.799 -13.617 -3.415 1.00 0.00 C ATOM 401 CZ TYR A 25 0.335 -13.022 -2.908 1.00 0.00 C ATOM 402 OH TYR A 25 1.506 -13.738 -2.816 1.00 0.00 O ATOM 0 H TYR A 25 -1.777 -10.368 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.398 -9.482 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.477 -10.258 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.140 -11.475 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.888 -9.962 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.859 -13.356 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.192 -11.252 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.773 -14.646 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 25 2.267 -13.121 -2.811 1.00 0.00 H new ATOM 412 N ALA A 26 -1.915 -7.894 -4.929 1.00 0.00 N ATOM 413 CA ALA A 26 -1.183 -6.647 -4.728 1.00 0.00 C ATOM 414 C ALA A 26 -1.754 -5.524 -5.592 1.00 0.00 C ATOM 415 O ALA A 26 -1.441 -4.347 -5.385 1.00 0.00 O ATOM 416 CB ALA A 26 0.300 -6.833 -5.036 1.00 0.00 C ATOM 0 H ALA A 26 -1.838 -8.279 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.295 -6.368 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.825 -5.891 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.716 -7.594 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.420 -7.147 -6.073 1.00 0.00 H new ATOM 422 N TRP A 27 -2.606 -5.884 -6.556 1.00 0.00 N ATOM 423 CA TRP A 27 -3.182 -4.896 -7.469 1.00 0.00 C ATOM 424 C TRP A 27 -3.904 -3.737 -6.748 1.00 0.00 C ATOM 425 O TRP A 27 -3.836 -2.608 -7.231 1.00 0.00 O ATOM 426 CB TRP A 27 -4.110 -5.544 -8.520 1.00 0.00 C ATOM 427 CG TRP A 27 -5.258 -6.347 -7.971 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.266 -7.687 -7.714 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.573 -5.869 -7.640 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.495 -8.069 -7.235 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.315 -6.974 -7.181 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.195 -4.615 -7.679 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.641 -6.865 -6.770 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.510 -4.508 -7.270 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.221 -5.627 -6.822 1.00 0.00 C ATOM 0 H TRP A 27 -2.909 -6.843 -6.723 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.328 -4.461 -7.988 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.513 -4.756 -9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.509 -6.193 -9.158 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.428 -8.351 -7.865 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.755 -9.017 -6.963 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.655 -3.745 -8.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.192 -7.727 -6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.998 -3.545 -7.296 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.249 -5.511 -6.511 1.00 0.00 H new ATOM 446 N PRO A 28 -4.604 -3.962 -5.597 1.00 0.00 N ATOM 447 CA PRO A 28 -5.258 -2.864 -4.867 1.00 0.00 C ATOM 448 C PRO A 28 -4.300 -1.738 -4.480 1.00 0.00 C ATOM 449 O PRO A 28 -4.729 -0.618 -4.207 1.00 0.00 O ATOM 450 CB PRO A 28 -5.804 -3.507 -3.584 1.00 0.00 C ATOM 451 CG PRO A 28 -5.309 -4.916 -3.561 1.00 0.00 C ATOM 452 CD PRO A 28 -4.865 -5.266 -4.955 1.00 0.00 C ATOM 0 HA PRO A 28 -6.020 -2.408 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.462 -2.963 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.894 -3.480 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.482 -5.020 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.096 -5.593 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.970 -5.889 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.634 -5.824 -5.488 1.00 0.00 H new ATOM 460 N PHE A 29 -3.008 -2.037 -4.453 1.00 0.00 N ATOM 461 CA PHE A 29 -2.027 -1.085 -3.937 1.00 0.00 C ATOM 462 C PHE A 29 -1.103 -0.561 -5.030 1.00 0.00 C ATOM 463 O PHE A 29 -0.319 0.363 -4.789 1.00 0.00 O ATOM 464 CB PHE A 29 -1.185 -1.726 -2.835 1.00 0.00 C ATOM 465 CG PHE A 29 -1.941 -2.725 -2.008 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.600 -4.068 -2.042 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.999 -2.328 -1.208 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.297 -4.991 -1.297 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.699 -3.249 -0.458 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.347 -4.582 -0.505 1.00 0.00 C ATOM 0 H PHE A 29 -2.615 -2.921 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.589 -0.243 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.323 -2.218 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.799 -0.943 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.777 -4.394 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.279 -1.286 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.021 -6.035 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.521 -2.928 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.895 -5.306 0.080 1.00 0.00 H new ATOM 480 N TYR A 30 -1.167 -1.164 -6.215 1.00 0.00 N ATOM 481 CA TYR A 30 -0.355 -0.713 -7.343 1.00 0.00 C ATOM 482 C TYR A 30 -0.578 0.765 -7.631 1.00 0.00 C ATOM 483 O TYR A 30 0.372 1.539 -7.698 1.00 0.00 O ATOM 484 CB TYR A 30 -0.653 -1.542 -8.598 1.00 0.00 C ATOM 485 CG TYR A 30 0.025 -2.892 -8.598 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.612 -3.376 -7.446 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.089 -3.673 -9.745 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.247 -4.595 -7.422 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.720 -4.900 -9.730 1.00 0.00 C ATOM 490 CZ TYR A 30 1.298 -5.354 -8.564 1.00 0.00 C ATOM 491 OH TYR A 30 1.933 -6.571 -8.538 1.00 0.00 O ATOM 0 H TYR A 30 -1.769 -1.962 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 30 0.690 -0.855 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.730 -1.684 -8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.334 -0.983 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.571 -2.784 -6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.361 -3.315 -10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.703 -4.953 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.761 -5.501 -10.626 1.00 0.00 H new ATOM 0 HH TYR A 30 2.441 -6.693 -9.367 1.00 0.00 H new ATOM 501 N LYS A 31 -1.830 1.156 -7.777 1.00 0.00 N ATOM 502 CA LYS A 31 -2.172 2.521 -8.124 1.00 0.00 C ATOM 503 C LYS A 31 -3.338 3.002 -7.272 1.00 0.00 C ATOM 504 O LYS A 31 -4.075 2.184 -6.721 1.00 0.00 O ATOM 505 CB LYS A 31 -2.521 2.602 -9.609 1.00 0.00 C ATOM 506 CG LYS A 31 -1.302 2.504 -10.512 1.00 0.00 C ATOM 507 CD LYS A 31 -1.647 2.669 -11.987 1.00 0.00 C ATOM 508 CE LYS A 31 -2.468 1.506 -12.538 1.00 0.00 C ATOM 509 NZ LYS A 31 -3.920 1.615 -12.219 1.00 0.00 N ATOM 0 H LYS A 31 -2.634 0.540 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.316 3.167 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.216 1.800 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.037 3.542 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.580 3.268 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.821 1.538 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.203 3.597 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.726 2.762 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.342 1.460 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.082 0.571 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.175 0.896 -11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.122 2.562 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.478 1.463 -13.084 1.00 0.00 H new ATOM 523 N PRO A 32 -3.513 4.328 -7.146 1.00 0.00 N ATOM 524 CA PRO A 32 -4.598 4.920 -6.354 1.00 0.00 C ATOM 525 C PRO A 32 -5.968 4.413 -6.782 1.00 0.00 C ATOM 526 O PRO A 32 -6.216 4.196 -7.974 1.00 0.00 O ATOM 527 CB PRO A 32 -4.481 6.426 -6.639 1.00 0.00 C ATOM 528 CG PRO A 32 -3.603 6.530 -7.837 1.00 0.00 C ATOM 529 CD PRO A 32 -2.666 5.367 -7.750 1.00 0.00 C ATOM 0 HA PRO A 32 -4.509 4.665 -5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.459 6.868 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.051 6.955 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.188 6.494 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.057 7.474 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.294 5.070 -8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.795 5.591 -7.134 1.00 0.00 H new ATOM 537 N VAL A 33 -6.851 4.213 -5.810 1.00 0.00 N ATOM 538 CA VAL A 33 -8.206 3.768 -6.103 1.00 0.00 C ATOM 539 C VAL A 33 -8.912 4.830 -6.933 1.00 0.00 C ATOM 540 O VAL A 33 -8.668 6.028 -6.770 1.00 0.00 O ATOM 541 CB VAL A 33 -9.031 3.453 -4.817 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.125 3.006 -3.690 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.910 4.618 -4.377 1.00 0.00 C ATOM 0 H VAL A 33 -6.654 4.351 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.134 2.835 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.703 2.634 -5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.724 2.792 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.588 2.107 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.410 3.797 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.460 4.340 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.285 5.486 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.615 4.863 -5.172 1.00 0.00 H new ATOM 553 N ASP A 34 -9.770 4.393 -7.825 1.00 0.00 N ATOM 554 CA ASP A 34 -10.480 5.311 -8.700 1.00 0.00 C ATOM 555 C ASP A 34 -11.791 5.679 -8.047 1.00 0.00 C ATOM 556 O ASP A 34 -12.863 5.322 -8.525 1.00 0.00 O ATOM 557 CB ASP A 34 -10.709 4.699 -10.086 1.00 0.00 C ATOM 558 CG ASP A 34 -9.406 4.404 -10.801 1.00 0.00 C ATOM 559 OD1 ASP A 34 -8.897 5.297 -11.513 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.873 3.284 -10.644 1.00 0.00 O ATOM 0 H ASP A 34 -9.997 3.409 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.878 6.207 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.283 3.778 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.307 5.382 -10.689 1.00 0.00 H new ATOM 565 N ALA A 35 -11.671 6.399 -6.937 1.00 0.00 N ATOM 566 CA ALA A 35 -12.781 6.660 -6.035 1.00 0.00 C ATOM 567 C ALA A 35 -14.018 7.183 -6.754 1.00 0.00 C ATOM 568 O ALA A 35 -15.110 6.688 -6.527 1.00 0.00 O ATOM 569 CB ALA A 35 -12.348 7.619 -4.939 1.00 0.00 C ATOM 0 H ALA A 35 -10.792 6.821 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.065 5.706 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.187 7.808 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.525 7.180 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.022 8.558 -5.385 1.00 0.00 H new ATOM 575 N SER A 36 -13.844 8.156 -7.636 1.00 0.00 N ATOM 576 CA SER A 36 -14.971 8.733 -8.364 1.00 0.00 C ATOM 577 C SER A 36 -15.670 7.672 -9.219 1.00 0.00 C ATOM 578 O SER A 36 -16.900 7.608 -9.258 1.00 0.00 O ATOM 579 CB SER A 36 -14.486 9.892 -9.241 1.00 0.00 C ATOM 580 OG SER A 36 -15.560 10.513 -9.924 1.00 0.00 O ATOM 0 H SER A 36 -12.938 8.563 -7.866 1.00 0.00 H new ATOM 0 HA SER A 36 -15.693 9.112 -7.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.974 10.628 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.759 9.522 -9.964 1.00 0.00 H new ATOM 0 HG SER A 36 -15.217 11.249 -10.473 1.00 0.00 H new ATOM 586 N ALA A 37 -14.888 6.822 -9.876 1.00 0.00 N ATOM 587 CA ALA A 37 -15.444 5.748 -10.694 1.00 0.00 C ATOM 588 C ALA A 37 -16.031 4.658 -9.802 1.00 0.00 C ATOM 589 O ALA A 37 -16.956 3.945 -10.188 1.00 0.00 O ATOM 590 CB ALA A 37 -14.374 5.175 -11.611 1.00 0.00 C ATOM 0 H ALA A 37 -13.869 6.855 -9.859 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.244 6.154 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.803 4.375 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.996 5.961 -12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.555 4.778 -11.011 1.00 0.00 H new ATOM 596 N LEU A 38 -15.490 4.558 -8.597 1.00 0.00 N ATOM 597 CA LEU A 38 -15.965 3.616 -7.591 1.00 0.00 C ATOM 598 C LEU A 38 -17.199 4.183 -6.887 1.00 0.00 C ATOM 599 O LEU A 38 -17.849 3.509 -6.090 1.00 0.00 O ATOM 600 CB LEU A 38 -14.839 3.348 -6.583 1.00 0.00 C ATOM 601 CG LEU A 38 -13.653 2.544 -7.127 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.404 2.789 -6.293 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.983 1.063 -7.151 1.00 0.00 C ATOM 0 H LEU A 38 -14.705 5.130 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.247 2.677 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.470 4.304 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.257 2.815 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.457 2.878 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.576 2.208 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.151 3.849 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.589 2.486 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.130 0.506 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.207 0.724 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.849 0.894 -7.791 1.00 0.00 H new ATOM 615 N GLY A 39 -17.501 5.439 -7.205 1.00 0.00 N ATOM 616 CA GLY A 39 -18.637 6.140 -6.632 1.00 0.00 C ATOM 617 C GLY A 39 -18.347 6.659 -5.233 1.00 0.00 C ATOM 618 O GLY A 39 -19.248 7.105 -4.521 1.00 0.00 O ATOM 0 H GLY A 39 -16.962 5.996 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.910 6.975 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.496 5.469 -6.598 1.00 0.00 H new ATOM 622 N LEU A 40 -17.088 6.582 -4.841 1.00 0.00 N ATOM 623 CA LEU A 40 -16.648 7.005 -3.524 1.00 0.00 C ATOM 624 C LEU A 40 -16.320 8.496 -3.532 1.00 0.00 C ATOM 625 O LEU A 40 -15.184 8.895 -3.782 1.00 0.00 O ATOM 626 CB LEU A 40 -15.413 6.204 -3.112 1.00 0.00 C ATOM 627 CG LEU A 40 -15.445 4.715 -3.472 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.237 4.004 -2.893 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.736 4.059 -3.006 1.00 0.00 C ATOM 0 H LEU A 40 -16.338 6.222 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.450 6.825 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.537 6.654 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.284 6.297 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.408 4.631 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.275 2.947 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.326 4.447 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.240 4.106 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.726 3.003 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.823 4.155 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.585 4.548 -3.483 1.00 0.00 H new ATOM 641 N HIS A 41 -17.325 9.310 -3.263 1.00 0.00 N ATOM 642 CA HIS A 41 -17.175 10.767 -3.267 1.00 0.00 C ATOM 643 C HIS A 41 -16.662 11.285 -1.924 1.00 0.00 C ATOM 644 O HIS A 41 -16.594 12.494 -1.702 1.00 0.00 O ATOM 645 CB HIS A 41 -18.513 11.443 -3.631 1.00 0.00 C ATOM 646 CG HIS A 41 -19.719 10.721 -3.095 1.00 0.00 C ATOM 647 ND1 HIS A 41 -20.332 9.699 -3.786 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.404 10.839 -1.926 1.00 0.00 C ATOM 649 CE1 HIS A 41 -21.329 9.219 -3.074 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.397 9.891 -1.943 1.00 0.00 N ATOM 0 H HIS A 41 -18.266 8.989 -3.036 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.432 11.022 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -18.511 12.463 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.593 11.510 -4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.204 11.545 -1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -21.982 8.410 -3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -22.078 9.733 -1.200 1.00 0.00 H new ATOM 659 N ASP A 42 -16.304 10.368 -1.035 1.00 0.00 N ATOM 660 CA ASP A 42 -15.821 10.737 0.294 1.00 0.00 C ATOM 661 C ASP A 42 -14.455 10.124 0.582 1.00 0.00 C ATOM 662 O ASP A 42 -14.053 9.997 1.735 1.00 0.00 O ATOM 663 CB ASP A 42 -16.811 10.281 1.364 1.00 0.00 C ATOM 664 CG ASP A 42 -18.115 11.044 1.331 1.00 0.00 C ATOM 665 OD1 ASP A 42 -19.062 10.584 0.668 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.206 12.103 1.983 1.00 0.00 O ATOM 0 H ASP A 42 -16.338 9.363 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.727 11.823 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.016 9.219 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.354 10.398 2.347 1.00 0.00 H new ATOM 671 N TYR A 43 -13.727 9.766 -0.462 1.00 0.00 N ATOM 672 CA TYR A 43 -12.480 9.032 -0.299 1.00 0.00 C ATOM 673 C TYR A 43 -11.376 9.922 0.261 1.00 0.00 C ATOM 674 O TYR A 43 -10.634 9.512 1.151 1.00 0.00 O ATOM 675 CB TYR A 43 -12.064 8.420 -1.641 1.00 0.00 C ATOM 676 CG TYR A 43 -10.722 7.721 -1.640 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.595 6.427 -1.162 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.587 8.350 -2.136 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.378 5.776 -1.174 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.365 7.707 -2.151 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.265 6.420 -1.669 1.00 0.00 C ATOM 682 OH TYR A 43 -7.046 5.780 -1.683 1.00 0.00 O ATOM 0 H TYR A 43 -13.976 9.970 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.642 8.231 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.828 7.706 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.044 9.210 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.464 5.918 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.662 9.358 -2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.299 4.767 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.492 8.211 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.368 6.376 -2.065 1.00 0.00 H new ATOM 692 N HIS A 44 -11.288 11.146 -0.236 1.00 0.00 N ATOM 693 CA HIS A 44 -10.226 12.056 0.185 1.00 0.00 C ATOM 694 C HIS A 44 -10.541 12.689 1.535 1.00 0.00 C ATOM 695 O HIS A 44 -9.682 13.332 2.142 1.00 0.00 O ATOM 696 CB HIS A 44 -9.987 13.140 -0.870 1.00 0.00 C ATOM 697 CG HIS A 44 -9.268 12.642 -2.084 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.910 12.786 -2.262 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.723 12.000 -3.186 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.559 12.256 -3.417 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.639 11.770 -3.997 1.00 0.00 N ATOM 0 H HIS A 44 -11.932 11.533 -0.926 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.314 11.469 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.946 13.560 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.411 13.950 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.746 11.721 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.557 12.225 -3.820 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.665 11.299 -4.902 1.00 0.00 H new ATOM 710 N ASP A 45 -11.767 12.504 2.004 1.00 0.00 N ATOM 711 CA ASP A 45 -12.172 13.028 3.302 1.00 0.00 C ATOM 712 C ASP A 45 -11.791 12.060 4.414 1.00 0.00 C ATOM 713 O ASP A 45 -11.276 12.467 5.453 1.00 0.00 O ATOM 714 CB ASP A 45 -13.678 13.301 3.344 1.00 0.00 C ATOM 715 CG ASP A 45 -14.094 14.448 2.448 1.00 0.00 C ATOM 716 OD1 ASP A 45 -13.724 15.604 2.739 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.810 14.201 1.456 1.00 0.00 O ATOM 0 H ASP A 45 -12.498 11.996 1.506 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.647 13.971 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.214 12.400 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.974 13.522 4.370 1.00 0.00 H new ATOM 722 N ILE A 46 -12.051 10.776 4.192 1.00 0.00 N ATOM 723 CA ILE A 46 -11.702 9.747 5.169 1.00 0.00 C ATOM 724 C ILE A 46 -10.206 9.468 5.120 1.00 0.00 C ATOM 725 O ILE A 46 -9.529 9.411 6.150 1.00 0.00 O ATOM 726 CB ILE A 46 -12.496 8.426 4.938 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.941 8.559 5.409 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.852 7.246 5.660 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.803 9.456 4.556 1.00 0.00 C ATOM 0 H ILE A 46 -12.501 10.422 3.348 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.974 10.126 6.154 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.478 8.240 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.392 7.567 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.942 8.941 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.435 6.344 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.836 7.104 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.824 7.446 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.812 9.489 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.382 10.461 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.839 9.066 3.539 1.00 0.00 H new ATOM 741 N ILE A 47 -9.690 9.315 3.917 1.00 0.00 N ATOM 742 CA ILE A 47 -8.288 9.011 3.731 1.00 0.00 C ATOM 743 C ILE A 47 -7.479 10.290 3.556 1.00 0.00 C ATOM 744 O ILE A 47 -7.383 10.843 2.461 1.00 0.00 O ATOM 745 CB ILE A 47 -8.077 8.078 2.528 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.952 6.825 2.682 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.610 7.706 2.404 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.610 5.965 3.877 1.00 0.00 C ATOM 0 H ILE A 47 -10.224 9.397 3.052 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.938 8.496 4.626 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.372 8.595 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.995 7.133 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.863 6.222 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.473 7.045 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.016 8.609 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.286 7.197 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.277 5.103 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.578 5.623 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.728 6.548 4.790 1.00 0.00 H new ATOM 760 N LYS A 48 -6.916 10.760 4.659 1.00 0.00 N ATOM 761 CA LYS A 48 -6.094 11.959 4.659 1.00 0.00 C ATOM 762 C LYS A 48 -4.685 11.639 4.187 1.00 0.00 C ATOM 763 O LYS A 48 -3.993 12.495 3.639 1.00 0.00 O ATOM 764 CB LYS A 48 -6.050 12.571 6.056 1.00 0.00 C ATOM 765 CG LYS A 48 -7.356 13.227 6.467 1.00 0.00 C ATOM 766 CD LYS A 48 -7.639 14.470 5.640 1.00 0.00 C ATOM 767 CE LYS A 48 -9.098 14.854 5.709 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.596 14.938 7.108 1.00 0.00 N ATOM 0 H LYS A 48 -7.016 10.323 5.575 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.537 12.679 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.799 11.794 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.251 13.312 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.174 12.516 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.314 13.493 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.026 15.296 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.356 14.291 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.242 15.816 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.690 14.123 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.522 15.411 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.692 13.980 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.922 15.482 7.684 1.00 0.00 H new ATOM 782 N HIS A 49 -4.273 10.393 4.400 1.00 0.00 N ATOM 783 CA HIS A 49 -2.958 9.924 3.979 1.00 0.00 C ATOM 784 C HIS A 49 -3.067 8.805 2.928 1.00 0.00 C ATOM 785 O HIS A 49 -2.784 7.634 3.219 1.00 0.00 O ATOM 786 CB HIS A 49 -2.172 9.437 5.204 1.00 0.00 C ATOM 787 CG HIS A 49 -2.987 8.634 6.178 1.00 0.00 C ATOM 788 ND1 HIS A 49 -3.388 7.337 5.939 1.00 0.00 N ATOM 789 CD2 HIS A 49 -3.480 8.957 7.398 1.00 0.00 C ATOM 790 CE1 HIS A 49 -4.093 6.898 6.967 1.00 0.00 C ATOM 791 NE2 HIS A 49 -4.163 7.860 7.862 1.00 0.00 N ATOM 0 H HIS A 49 -4.838 9.684 4.867 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.428 10.756 3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.331 8.832 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.755 10.301 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.359 9.900 7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -4.536 5.917 7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.647 7.800 8.758 1.00 0.00 H new ATOM 800 N PRO A 50 -3.517 9.134 1.698 1.00 0.00 N ATOM 801 CA PRO A 50 -3.555 8.177 0.590 1.00 0.00 C ATOM 802 C PRO A 50 -2.176 7.960 -0.026 1.00 0.00 C ATOM 803 O PRO A 50 -1.538 8.903 -0.500 1.00 0.00 O ATOM 804 CB PRO A 50 -4.483 8.851 -0.419 1.00 0.00 C ATOM 805 CG PRO A 50 -4.262 10.303 -0.194 1.00 0.00 C ATOM 806 CD PRO A 50 -4.055 10.451 1.290 1.00 0.00 C ATOM 0 HA PRO A 50 -3.889 7.190 0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.238 8.563 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.524 8.575 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.394 10.659 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.118 10.888 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.358 11.257 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.988 10.680 1.804 1.00 0.00 H new ATOM 814 N MET A 51 -1.702 6.729 0.022 1.00 0.00 N ATOM 815 CA MET A 51 -0.432 6.384 -0.589 1.00 0.00 C ATOM 816 C MET A 51 -0.560 5.086 -1.375 1.00 0.00 C ATOM 817 O MET A 51 -1.370 4.224 -1.032 1.00 0.00 O ATOM 818 CB MET A 51 0.668 6.289 0.482 1.00 0.00 C ATOM 819 CG MET A 51 2.013 5.794 -0.045 1.00 0.00 C ATOM 820 SD MET A 51 2.553 6.692 -1.518 1.00 0.00 S ATOM 821 CE MET A 51 2.521 8.376 -0.923 1.00 0.00 C ATOM 0 H MET A 51 -2.178 5.951 0.478 1.00 0.00 H new ATOM 0 HA MET A 51 -0.148 7.171 -1.288 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.806 7.272 0.933 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.332 5.619 1.274 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.766 5.898 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.940 4.732 -0.278 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.289 8.957 -1.434 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.543 8.814 -1.122 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.712 8.386 0.150 1.00 0.00 H new ATOM 831 N ASP A 52 0.240 4.962 -2.426 1.00 0.00 N ATOM 832 CA ASP A 52 0.195 3.807 -3.315 1.00 0.00 C ATOM 833 C ASP A 52 1.623 3.348 -3.588 1.00 0.00 C ATOM 834 O ASP A 52 2.529 4.178 -3.591 1.00 0.00 O ATOM 835 CB ASP A 52 -0.495 4.177 -4.640 1.00 0.00 C ATOM 836 CG ASP A 52 -1.566 5.234 -4.458 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.272 6.423 -4.723 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.692 4.896 -4.038 1.00 0.00 O ATOM 0 H ASP A 52 0.938 5.658 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.374 3.006 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.252 4.538 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.941 3.283 -5.076 1.00 0.00 H new ATOM 843 N LEU A 53 1.843 2.055 -3.810 1.00 0.00 N ATOM 844 CA LEU A 53 3.201 1.552 -4.040 1.00 0.00 C ATOM 845 C LEU A 53 3.875 2.249 -5.219 1.00 0.00 C ATOM 846 O LEU A 53 5.072 2.543 -5.172 1.00 0.00 O ATOM 847 CB LEU A 53 3.198 0.040 -4.242 1.00 0.00 C ATOM 848 CG LEU A 53 3.100 -0.767 -2.954 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.837 -2.219 -3.269 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.366 -0.628 -2.132 1.00 0.00 C ATOM 0 H LEU A 53 1.113 1.343 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 53 3.782 1.781 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.361 -0.226 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.109 -0.246 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 53 2.269 -0.376 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.769 -2.786 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.900 -2.308 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.652 -2.613 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.272 -1.213 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.216 -0.991 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.521 0.420 -1.878 1.00 0.00 H new ATOM 862 N SER A 54 3.104 2.529 -6.262 1.00 0.00 N ATOM 863 CA SER A 54 3.623 3.249 -7.419 1.00 0.00 C ATOM 864 C SER A 54 4.143 4.626 -7.003 1.00 0.00 C ATOM 865 O SER A 54 5.210 5.056 -7.442 1.00 0.00 O ATOM 866 CB SER A 54 2.535 3.400 -8.487 1.00 0.00 C ATOM 867 OG SER A 54 1.372 4.007 -7.946 1.00 0.00 O ATOM 0 H SER A 54 2.120 2.270 -6.331 1.00 0.00 H new ATOM 0 HA SER A 54 4.449 2.674 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.913 4.002 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.282 2.421 -8.895 1.00 0.00 H new ATOM 0 HG SER A 54 0.764 3.313 -7.615 1.00 0.00 H new ATOM 873 N THR A 55 3.389 5.293 -6.135 1.00 0.00 N ATOM 874 CA THR A 55 3.735 6.624 -5.665 1.00 0.00 C ATOM 875 C THR A 55 4.918 6.569 -4.704 1.00 0.00 C ATOM 876 O THR A 55 5.755 7.471 -4.688 1.00 0.00 O ATOM 877 CB THR A 55 2.538 7.292 -4.967 1.00 0.00 C ATOM 878 OG1 THR A 55 1.325 6.953 -5.661 1.00 0.00 O ATOM 879 CG2 THR A 55 2.714 8.800 -4.965 1.00 0.00 C ATOM 0 H THR A 55 2.524 4.925 -5.740 1.00 0.00 H new ATOM 0 HA THR A 55 4.011 7.217 -6.537 1.00 0.00 H new ATOM 0 HB THR A 55 2.482 6.936 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.600 6.834 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.862 9.265 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.629 9.059 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.777 9.160 -5.992 1.00 0.00 H new ATOM 887 N VAL A 56 4.991 5.503 -3.911 1.00 0.00 N ATOM 888 CA VAL A 56 6.127 5.299 -3.021 1.00 0.00 C ATOM 889 C VAL A 56 7.399 5.196 -3.842 1.00 0.00 C ATOM 890 O VAL A 56 8.403 5.848 -3.553 1.00 0.00 O ATOM 891 CB VAL A 56 5.981 4.022 -2.164 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.219 3.810 -1.305 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.746 4.099 -1.290 1.00 0.00 C ATOM 0 H VAL A 56 4.281 4.772 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 56 6.167 6.153 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 56 5.874 3.173 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.097 2.906 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.094 3.706 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.354 4.666 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.664 3.189 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.823 4.960 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.861 4.203 -1.918 1.00 0.00 H new ATOM 903 N LYS A 57 7.332 4.386 -4.888 1.00 0.00 N ATOM 904 CA LYS A 57 8.461 4.192 -5.777 1.00 0.00 C ATOM 905 C LYS A 57 8.779 5.486 -6.498 1.00 0.00 C ATOM 906 O LYS A 57 9.936 5.847 -6.661 1.00 0.00 O ATOM 907 CB LYS A 57 8.152 3.100 -6.793 1.00 0.00 C ATOM 908 CG LYS A 57 9.270 2.088 -6.944 1.00 0.00 C ATOM 909 CD LYS A 57 8.938 1.049 -7.993 1.00 0.00 C ATOM 910 CE LYS A 57 9.956 -0.075 -7.989 1.00 0.00 C ATOM 911 NZ LYS A 57 11.311 0.399 -8.381 1.00 0.00 N ATOM 0 H LYS A 57 6.501 3.851 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 57 9.324 3.889 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.241 2.582 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.954 3.560 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.192 2.601 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.450 1.597 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.944 0.644 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.912 1.517 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.001 -0.520 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.634 -0.859 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.701 -0.230 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.245 1.367 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.935 0.392 -7.549 1.00 0.00 H new ATOM 925 N ARG A 58 7.729 6.177 -6.910 1.00 0.00 N ATOM 926 CA ARG A 58 7.849 7.464 -7.576 1.00 0.00 C ATOM 927 C ARG A 58 8.650 8.447 -6.723 1.00 0.00 C ATOM 928 O ARG A 58 9.615 9.057 -7.187 1.00 0.00 O ATOM 929 CB ARG A 58 6.450 8.011 -7.839 1.00 0.00 C ATOM 930 CG ARG A 58 6.420 9.322 -8.601 1.00 0.00 C ATOM 931 CD ARG A 58 4.997 9.726 -8.932 1.00 0.00 C ATOM 932 NE ARG A 58 4.930 11.025 -9.598 1.00 0.00 N ATOM 933 CZ ARG A 58 4.098 11.311 -10.601 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.310 10.371 -11.108 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.063 12.540 -11.102 1.00 0.00 N ATOM 0 H ARG A 58 6.767 5.861 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 58 8.381 7.333 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.882 7.267 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.942 8.148 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.895 10.103 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.998 9.226 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.546 8.968 -9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.409 9.759 -8.015 1.00 0.00 H new ATOM 0 HE ARG A 58 5.559 11.760 -9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.338 9.424 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.676 10.596 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.672 13.264 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.427 12.760 -11.869 1.00 0.00 H new ATOM 949 N LYS A 59 8.253 8.576 -5.466 1.00 0.00 N ATOM 950 CA LYS A 59 8.918 9.483 -4.541 1.00 0.00 C ATOM 951 C LYS A 59 10.304 8.956 -4.158 1.00 0.00 C ATOM 952 O LYS A 59 11.224 9.732 -3.891 1.00 0.00 O ATOM 953 CB LYS A 59 8.043 9.697 -3.303 1.00 0.00 C ATOM 954 CG LYS A 59 6.724 10.389 -3.616 1.00 0.00 C ATOM 955 CD LYS A 59 5.707 10.259 -2.483 1.00 0.00 C ATOM 956 CE LYS A 59 6.250 10.754 -1.149 1.00 0.00 C ATOM 957 NZ LYS A 59 6.649 9.632 -0.258 1.00 0.00 N ATOM 0 H LYS A 59 7.470 8.062 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 59 9.061 10.445 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.839 8.732 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.594 10.291 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.910 11.445 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.303 9.964 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.810 10.824 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.409 9.215 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.110 11.400 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.492 11.360 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.209 10.002 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.798 9.160 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.219 8.948 -0.795 1.00 0.00 H new ATOM 971 N MET A 60 10.451 7.634 -4.136 1.00 0.00 N ATOM 972 CA MET A 60 11.757 7.009 -3.925 1.00 0.00 C ATOM 973 C MET A 60 12.683 7.310 -5.103 1.00 0.00 C ATOM 974 O MET A 60 13.875 7.551 -4.922 1.00 0.00 O ATOM 975 CB MET A 60 11.625 5.492 -3.761 1.00 0.00 C ATOM 976 CG MET A 60 12.953 4.785 -3.552 1.00 0.00 C ATOM 977 SD MET A 60 12.856 3.031 -3.941 1.00 0.00 S ATOM 978 CE MET A 60 11.522 2.546 -2.858 1.00 0.00 C ATOM 0 H MET A 60 9.684 6.974 -4.261 1.00 0.00 H new ATOM 0 HA MET A 60 12.179 7.424 -3.010 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.974 5.282 -2.913 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.139 5.080 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.714 5.253 -4.177 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.270 4.909 -2.517 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.639 1.497 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.542 3.161 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.570 2.683 -3.370 1.00 0.00 H new ATOM 988 N GLU A 61 12.121 7.299 -6.309 1.00 0.00 N ATOM 989 CA GLU A 61 12.879 7.597 -7.519 1.00 0.00 C ATOM 990 C GLU A 61 13.335 9.048 -7.525 1.00 0.00 C ATOM 991 O GLU A 61 14.360 9.392 -8.113 1.00 0.00 O ATOM 992 CB GLU A 61 12.038 7.303 -8.760 1.00 0.00 C ATOM 993 CG GLU A 61 11.904 5.819 -9.060 1.00 0.00 C ATOM 994 CD GLU A 61 11.057 5.536 -10.280 1.00 0.00 C ATOM 995 OE1 GLU A 61 11.470 5.904 -11.400 1.00 0.00 O ATOM 996 OE2 GLU A 61 9.982 4.919 -10.133 1.00 0.00 O ATOM 0 H GLU A 61 11.137 7.085 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 61 13.762 6.958 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.044 7.730 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.486 7.801 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.896 5.393 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.466 5.318 -8.197 1.00 0.00 H new ATOM 1003 N ASN A 62 12.570 9.894 -6.859 1.00 0.00 N ATOM 1004 CA ASN A 62 12.936 11.297 -6.700 1.00 0.00 C ATOM 1005 C ASN A 62 13.873 11.457 -5.511 1.00 0.00 C ATOM 1006 O ASN A 62 14.325 12.556 -5.195 1.00 0.00 O ATOM 1007 CB ASN A 62 11.696 12.179 -6.511 1.00 0.00 C ATOM 1008 CG ASN A 62 10.918 12.420 -7.798 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.312 13.477 -7.975 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.916 11.448 -8.698 1.00 0.00 N ATOM 0 H ASN A 62 11.688 9.636 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 62 13.444 11.619 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.036 11.712 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.003 13.139 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.401 11.562 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.429 10.585 -8.518 1.00 0.00 H new ATOM 1017 N ARG A 63 14.157 10.324 -4.868 1.00 0.00 N ATOM 1018 CA ARG A 63 15.078 10.242 -3.741 1.00 0.00 C ATOM 1019 C ARG A 63 14.664 11.177 -2.615 1.00 0.00 C ATOM 1020 O ARG A 63 15.504 11.751 -1.921 1.00 0.00 O ATOM 1021 CB ARG A 63 16.502 10.540 -4.204 1.00 0.00 C ATOM 1022 CG ARG A 63 16.917 9.734 -5.423 1.00 0.00 C ATOM 1023 CD ARG A 63 17.078 8.252 -5.113 1.00 0.00 C ATOM 1024 NE ARG A 63 16.922 7.433 -6.315 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.923 7.069 -7.118 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.167 7.461 -6.867 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.678 6.311 -8.180 1.00 0.00 N ATOM 0 H ARG A 63 13.746 9.426 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 63 15.044 9.226 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.588 11.602 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.193 10.333 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.172 9.859 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.858 10.125 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.061 8.075 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.340 7.953 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 63 15.982 7.118 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.363 8.045 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.926 7.178 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.725 6.008 -8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.443 6.032 -8.795 1.00 0.00 H new ATOM 1041 N ASP A 64 13.358 11.319 -2.440 1.00 0.00 N ATOM 1042 CA ASP A 64 12.807 12.121 -1.351 1.00 0.00 C ATOM 1043 C ASP A 64 12.969 11.406 -0.017 1.00 0.00 C ATOM 1044 O ASP A 64 12.784 11.996 1.047 1.00 0.00 O ATOM 1045 CB ASP A 64 11.327 12.414 -1.597 1.00 0.00 C ATOM 1046 CG ASP A 64 11.110 13.610 -2.498 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.941 14.730 -1.971 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.103 13.443 -3.733 1.00 0.00 O ATOM 0 H ASP A 64 12.655 10.888 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 64 13.358 13.061 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.857 11.538 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.832 12.589 -0.642 1.00 0.00 H new ATOM 1053 N TYR A 65 13.316 10.134 -0.089 1.00 0.00 N ATOM 1054 CA TYR A 65 13.469 9.300 1.094 1.00 0.00 C ATOM 1055 C TYR A 65 14.907 9.358 1.588 1.00 0.00 C ATOM 1056 O TYR A 65 15.844 9.394 0.787 1.00 0.00 O ATOM 1057 CB TYR A 65 13.099 7.845 0.776 1.00 0.00 C ATOM 1058 CG TYR A 65 11.652 7.628 0.373 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.009 6.431 0.653 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.934 8.609 -0.293 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.691 6.228 0.286 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.625 8.412 -0.660 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.007 7.223 -0.370 1.00 0.00 C ATOM 1064 OH TYR A 65 7.694 7.041 -0.731 1.00 0.00 O ATOM 0 H TYR A 65 13.500 9.648 -0.967 1.00 0.00 H new ATOM 0 HA TYR A 65 12.801 9.676 1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.742 7.489 -0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.313 7.231 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.546 5.646 1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.414 9.548 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.202 5.292 0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.084 9.192 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 65 7.184 6.719 0.042 1.00 0.00 H new ATOM 1074 N ARG A 66 15.074 9.392 2.899 1.00 0.00 N ATOM 1075 CA ARG A 66 16.396 9.380 3.502 1.00 0.00 C ATOM 1076 C ARG A 66 16.803 7.961 3.877 1.00 0.00 C ATOM 1077 O ARG A 66 17.970 7.587 3.741 1.00 0.00 O ATOM 1078 CB ARG A 66 16.420 10.290 4.738 1.00 0.00 C ATOM 1079 CG ARG A 66 17.744 10.286 5.488 1.00 0.00 C ATOM 1080 CD ARG A 66 17.724 11.244 6.669 1.00 0.00 C ATOM 1081 NE ARG A 66 18.977 11.200 7.418 1.00 0.00 N ATOM 1082 CZ ARG A 66 19.311 12.056 8.383 1.00 0.00 C ATOM 1083 NH1 ARG A 66 18.478 13.024 8.745 1.00 0.00 N ATOM 1084 NH2 ARG A 66 20.485 11.939 8.990 1.00 0.00 N ATOM 0 H ARG A 66 14.306 9.428 3.569 1.00 0.00 H new ATOM 0 HA ARG A 66 17.113 9.758 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.193 11.310 4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.628 9.980 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.959 9.277 5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.549 10.564 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.548 12.259 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.895 10.990 7.330 1.00 0.00 H new ATOM 0 HE ARG A 66 19.643 10.463 7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.573 13.117 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.743 13.674 9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.128 11.196 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.744 12.592 9.729 1.00 0.00 H new ATOM 1098 N ASP A 67 15.836 7.163 4.319 1.00 0.00 N ATOM 1099 CA ASP A 67 16.120 5.806 4.766 1.00 0.00 C ATOM 1100 C ASP A 67 14.936 4.903 4.481 1.00 0.00 C ATOM 1101 O ASP A 67 13.841 5.374 4.156 1.00 0.00 O ATOM 1102 CB ASP A 67 16.449 5.758 6.265 1.00 0.00 C ATOM 1103 CG ASP A 67 17.865 6.190 6.594 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.782 5.341 6.516 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.069 7.370 6.953 1.00 0.00 O ATOM 0 H ASP A 67 14.854 7.432 4.377 1.00 0.00 H new ATOM 0 HA ASP A 67 16.993 5.457 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.749 6.399 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.295 4.742 6.629 1.00 0.00 H new ATOM 1110 N ALA A 68 15.157 3.606 4.620 1.00 0.00 N ATOM 1111 CA ALA A 68 14.123 2.617 4.361 1.00 0.00 C ATOM 1112 C ALA A 68 13.006 2.720 5.385 1.00 0.00 C ATOM 1113 O ALA A 68 11.902 2.236 5.153 1.00 0.00 O ATOM 1114 CB ALA A 68 14.717 1.226 4.375 1.00 0.00 C ATOM 0 H ALA A 68 16.051 3.211 4.913 1.00 0.00 H new ATOM 0 HA ALA A 68 13.701 2.813 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.933 0.494 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.484 1.150 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.162 1.030 5.351 1.00 0.00 H new ATOM 1120 N GLN A 69 13.296 3.353 6.514 1.00 0.00 N ATOM 1121 CA GLN A 69 12.287 3.566 7.535 1.00 0.00 C ATOM 1122 C GLN A 69 11.215 4.500 6.997 1.00 0.00 C ATOM 1123 O GLN A 69 10.025 4.290 7.211 1.00 0.00 O ATOM 1124 CB GLN A 69 12.899 4.171 8.797 1.00 0.00 C ATOM 1125 CG GLN A 69 11.909 4.302 9.936 1.00 0.00 C ATOM 1126 CD GLN A 69 11.674 2.996 10.665 1.00 0.00 C ATOM 1127 OE1 GLN A 69 12.575 2.163 10.779 1.00 0.00 O ATOM 1128 NE2 GLN A 69 10.466 2.811 11.166 1.00 0.00 N ATOM 0 H GLN A 69 14.218 3.725 6.742 1.00 0.00 H new ATOM 0 HA GLN A 69 11.850 2.601 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.735 3.551 9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.304 5.155 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.273 5.047 10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.960 4.670 9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.750 3.528 11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.249 1.952 11.671 1.00 0.00 H new ATOM 1137 N GLU A 70 11.658 5.525 6.277 1.00 0.00 N ATOM 1138 CA GLU A 70 10.754 6.480 5.667 1.00 0.00 C ATOM 1139 C GLU A 70 9.958 5.815 4.559 1.00 0.00 C ATOM 1140 O GLU A 70 8.819 6.190 4.282 1.00 0.00 O ATOM 1141 CB GLU A 70 11.522 7.684 5.129 1.00 0.00 C ATOM 1142 CG GLU A 70 12.208 8.491 6.218 1.00 0.00 C ATOM 1143 CD GLU A 70 12.643 9.853 5.737 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.130 9.953 4.594 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.491 10.833 6.499 1.00 0.00 O ATOM 0 H GLU A 70 12.646 5.712 6.104 1.00 0.00 H new ATOM 0 HA GLU A 70 10.060 6.835 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.270 7.340 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.835 8.331 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.529 8.607 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.077 7.942 6.580 1.00 0.00 H new ATOM 1152 N PHE A 71 10.568 4.826 3.925 1.00 0.00 N ATOM 1153 CA PHE A 71 9.853 3.993 2.975 1.00 0.00 C ATOM 1154 C PHE A 71 8.797 3.181 3.703 1.00 0.00 C ATOM 1155 O PHE A 71 7.626 3.202 3.328 1.00 0.00 O ATOM 1156 CB PHE A 71 10.806 3.063 2.213 1.00 0.00 C ATOM 1157 CG PHE A 71 10.136 1.808 1.709 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.459 1.803 0.504 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.181 0.634 2.449 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.839 0.656 0.043 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.562 -0.512 1.998 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.889 -0.503 0.793 1.00 0.00 C ATOM 0 H PHE A 71 11.551 4.583 4.051 1.00 0.00 H new ATOM 0 HA PHE A 71 9.373 4.644 2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.233 3.604 1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.634 2.788 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.414 2.707 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.708 0.619 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.316 0.666 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.604 -1.416 2.587 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.403 -1.399 0.437 1.00 0.00 H new ATOM 1172 N ALA A 72 9.225 2.471 4.750 1.00 0.00 N ATOM 1173 CA ALA A 72 8.331 1.652 5.547 1.00 0.00 C ATOM 1174 C ALA A 72 7.161 2.479 6.044 1.00 0.00 C ATOM 1175 O ALA A 72 6.025 2.024 6.032 1.00 0.00 O ATOM 1176 CB ALA A 72 9.081 1.025 6.713 1.00 0.00 C ATOM 0 H ALA A 72 10.196 2.453 5.061 1.00 0.00 H new ATOM 0 HA ALA A 72 7.943 0.849 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.395 0.414 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.889 0.400 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.497 1.811 7.343 1.00 0.00 H new ATOM 1182 N ALA A 73 7.458 3.704 6.449 1.00 0.00 N ATOM 1183 CA ALA A 73 6.451 4.652 6.894 1.00 0.00 C ATOM 1184 C ALA A 73 5.392 4.887 5.812 1.00 0.00 C ATOM 1185 O ALA A 73 4.192 4.858 6.090 1.00 0.00 O ATOM 1186 CB ALA A 73 7.131 5.958 7.275 1.00 0.00 C ATOM 0 H ALA A 73 8.410 4.069 6.478 1.00 0.00 H new ATOM 0 HA ALA A 73 5.938 4.242 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.381 6.674 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.844 5.776 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.656 6.361 6.409 1.00 0.00 H new ATOM 1192 N ASP A 74 5.841 5.089 4.579 1.00 0.00 N ATOM 1193 CA ASP A 74 4.945 5.388 3.469 1.00 0.00 C ATOM 1194 C ASP A 74 4.154 4.154 3.029 1.00 0.00 C ATOM 1195 O ASP A 74 2.938 4.220 2.839 1.00 0.00 O ATOM 1196 CB ASP A 74 5.747 5.948 2.294 1.00 0.00 C ATOM 1197 CG ASP A 74 5.570 7.446 2.117 1.00 0.00 C ATOM 1198 OD1 ASP A 74 5.976 8.211 3.015 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.050 7.874 1.067 1.00 0.00 O ATOM 0 H ASP A 74 6.827 5.051 4.322 1.00 0.00 H new ATOM 0 HA ASP A 74 4.226 6.133 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.804 5.728 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.443 5.441 1.378 1.00 0.00 H new ATOM 1204 N VAL A 75 4.841 3.025 2.879 1.00 0.00 N ATOM 1205 CA VAL A 75 4.191 1.791 2.437 1.00 0.00 C ATOM 1206 C VAL A 75 3.196 1.285 3.481 1.00 0.00 C ATOM 1207 O VAL A 75 2.091 0.858 3.142 1.00 0.00 O ATOM 1208 CB VAL A 75 5.219 0.678 2.094 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.259 0.522 3.185 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.537 -0.658 1.844 1.00 0.00 C ATOM 0 H VAL A 75 5.842 2.937 3.055 1.00 0.00 H new ATOM 0 HA VAL A 75 3.648 2.035 1.524 1.00 0.00 H new ATOM 0 HB VAL A 75 5.719 0.991 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.960 -0.266 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.798 1.461 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.767 0.258 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.288 -1.411 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.989 -0.960 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.844 -0.562 1.008 1.00 0.00 H new ATOM 1220 N ARG A 76 3.572 1.363 4.753 1.00 0.00 N ATOM 1221 CA ARG A 76 2.691 0.911 5.818 1.00 0.00 C ATOM 1222 C ARG A 76 1.490 1.845 5.936 1.00 0.00 C ATOM 1223 O ARG A 76 0.408 1.426 6.339 1.00 0.00 O ATOM 1224 CB ARG A 76 3.433 0.818 7.156 1.00 0.00 C ATOM 1225 CG ARG A 76 3.725 2.168 7.801 1.00 0.00 C ATOM 1226 CD ARG A 76 4.384 2.030 9.167 1.00 0.00 C ATOM 1227 NE ARG A 76 5.547 1.138 9.148 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.488 1.114 10.098 1.00 0.00 C ATOM 1229 NH1 ARG A 76 6.434 1.957 11.122 1.00 0.00 N ATOM 1230 NH2 ARG A 76 7.481 0.236 10.028 1.00 0.00 N ATOM 0 H ARG A 76 4.470 1.731 5.067 1.00 0.00 H new ATOM 0 HA ARG A 76 2.340 -0.089 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.841 0.218 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.374 0.290 7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.374 2.748 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.795 2.727 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.693 3.015 9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.653 1.652 9.882 1.00 0.00 H new ATOM 0 HE ARG A 76 5.645 0.496 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.670 2.630 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.156 1.932 11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.527 -0.421 9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.198 0.218 10.753 1.00 0.00 H new ATOM 1244 N LEU A 77 1.688 3.108 5.564 1.00 0.00 N ATOM 1245 CA LEU A 77 0.612 4.089 5.558 1.00 0.00 C ATOM 1246 C LEU A 77 -0.457 3.704 4.550 1.00 0.00 C ATOM 1247 O LEU A 77 -1.651 3.927 4.769 1.00 0.00 O ATOM 1248 CB LEU A 77 1.160 5.470 5.221 1.00 0.00 C ATOM 1249 CG LEU A 77 1.062 6.493 6.340 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.584 7.831 5.867 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.373 6.607 6.827 1.00 0.00 C ATOM 0 H LEU A 77 2.590 3.475 5.262 1.00 0.00 H new ATOM 0 HA LEU A 77 0.166 4.112 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.206 5.368 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.626 5.853 4.351 1.00 0.00 H new ATOM 0 HG LEU A 77 1.677 6.164 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.509 8.557 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.627 7.729 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.993 8.173 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.428 7.344 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.013 6.920 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.709 5.639 7.200 1.00 0.00 H new ATOM 1263 N MET A 78 -0.011 3.144 3.439 1.00 0.00 N ATOM 1264 CA MET A 78 -0.910 2.628 2.421 1.00 0.00 C ATOM 1265 C MET A 78 -1.770 1.498 2.987 1.00 0.00 C ATOM 1266 O MET A 78 -2.998 1.531 2.880 1.00 0.00 O ATOM 1267 CB MET A 78 -0.113 2.171 1.195 1.00 0.00 C ATOM 1268 CG MET A 78 -0.935 1.413 0.168 1.00 0.00 C ATOM 1269 SD MET A 78 -0.846 -0.369 0.409 1.00 0.00 S ATOM 1270 CE MET A 78 0.858 -0.681 -0.045 1.00 0.00 C ATOM 0 H MET A 78 0.979 3.034 3.218 1.00 0.00 H new ATOM 0 HA MET A 78 -1.583 3.425 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.330 3.045 0.717 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.710 1.537 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.975 1.735 0.228 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.582 1.661 -0.833 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.898 -1.488 -0.777 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.291 0.222 -0.477 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.424 -0.967 0.841 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.131 0.515 3.615 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.868 -0.572 4.259 1.00 0.00 C ATOM 1282 C PHE A 79 -2.802 -0.021 5.344 1.00 0.00 C ATOM 1283 O PHE A 79 -3.936 -0.482 5.503 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.921 -1.612 4.865 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.040 -2.303 3.860 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.582 -2.909 2.738 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.331 -2.352 4.045 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.229 -3.544 1.815 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.145 -2.988 3.130 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.597 -3.583 2.013 1.00 0.00 C ATOM 0 H PHE A 79 -0.116 0.447 3.692 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.464 -1.063 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.291 -1.124 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.512 -2.362 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.650 -2.885 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.769 -1.887 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.205 -4.008 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.213 -3.020 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.234 -4.078 1.295 1.00 0.00 H new ATOM 1300 N SER A 80 -2.319 0.988 6.069 1.00 0.00 N ATOM 1301 CA SER A 80 -3.083 1.607 7.145 1.00 0.00 C ATOM 1302 C SER A 80 -4.380 2.233 6.636 1.00 0.00 C ATOM 1303 O SER A 80 -5.455 1.968 7.178 1.00 0.00 O ATOM 1304 CB SER A 80 -2.237 2.672 7.851 1.00 0.00 C ATOM 1305 OG SER A 80 -1.084 2.100 8.453 1.00 0.00 O ATOM 0 H SER A 80 -1.394 1.395 5.927 1.00 0.00 H new ATOM 0 HA SER A 80 -3.346 0.820 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.935 3.434 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.837 3.171 8.612 1.00 0.00 H new ATOM 0 HG SER A 80 -0.446 1.841 7.756 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.290 3.052 5.587 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.467 3.773 5.116 1.00 0.00 C ATOM 1313 C ASN A 81 -6.504 2.812 4.532 1.00 0.00 C ATOM 1314 O ASN A 81 -7.702 3.092 4.572 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.120 4.891 4.115 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.705 4.396 2.742 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.542 4.081 1.902 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.410 4.384 2.484 1.00 0.00 N ATOM 0 H ASN A 81 -3.435 3.229 5.060 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.903 4.261 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.985 5.546 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.313 5.495 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.076 4.106 1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.743 4.652 3.208 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.054 1.665 4.025 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.993 0.645 3.538 1.00 0.00 C ATOM 1327 C CYS A 82 -7.845 0.124 4.691 1.00 0.00 C ATOM 1328 O CYS A 82 -9.063 -0.024 4.550 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.291 -0.544 2.846 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.409 -1.902 2.437 1.00 0.00 S ATOM 0 H CYS A 82 -5.068 1.418 3.940 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.619 1.133 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.812 -0.191 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.501 -0.918 3.497 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.716 -2.971 2.177 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.209 -0.138 5.838 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.936 -0.624 7.010 1.00 0.00 C ATOM 1338 C TYR A 83 -8.879 0.444 7.548 1.00 0.00 C ATOM 1339 O TYR A 83 -9.863 0.134 8.222 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.995 -1.040 8.145 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.056 -2.191 7.824 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.463 -3.235 7.002 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.768 -2.250 8.370 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.624 -4.298 6.731 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.931 -3.312 8.099 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.361 -4.332 7.283 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.522 -5.390 7.018 1.00 0.00 O ATOM 0 H TYR A 83 -6.205 -0.023 5.977 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.499 -1.495 6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.397 -0.176 8.434 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.597 -1.315 9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.452 -3.215 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.425 -1.452 9.013 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.956 -5.100 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.940 -3.343 8.527 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.670 -5.257 7.484 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.568 1.700 7.265 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.380 2.806 7.746 1.00 0.00 C ATOM 1359 C LYS A 84 -10.666 2.934 6.943 1.00 0.00 C ATOM 1360 O LYS A 84 -11.750 3.072 7.511 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.603 4.117 7.679 1.00 0.00 C ATOM 1362 CG LYS A 84 -9.368 5.294 8.246 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.502 6.533 8.333 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.338 7.756 8.649 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.162 7.569 9.872 1.00 0.00 N ATOM 0 H LYS A 84 -7.761 1.978 6.706 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.636 2.596 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.666 4.005 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.345 4.326 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.236 5.500 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.743 5.041 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.743 6.398 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.976 6.681 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.684 8.618 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.990 7.978 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.599 8.474 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.906 6.867 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.558 7.235 10.650 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.538 2.898 5.624 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.687 3.084 4.755 1.00 0.00 C ATOM 1381 C TYR A 85 -12.584 1.853 4.747 1.00 0.00 C ATOM 1382 O TYR A 85 -13.779 1.934 5.038 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.250 3.378 3.322 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.418 3.765 2.443 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.939 5.046 2.528 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -13.012 2.872 1.551 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.012 5.434 1.757 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.087 3.256 0.776 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.583 4.540 0.885 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.654 4.937 0.119 1.00 0.00 O ATOM 0 H TYR A 85 -9.656 2.743 5.137 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.245 3.933 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.516 4.183 3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.758 2.499 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.495 5.754 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.625 1.867 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.403 6.438 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.538 2.556 0.088 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.446 4.416 0.368 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.997 0.714 4.409 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.760 -0.503 4.173 1.00 0.00 C ATOM 1402 C ASN A 86 -13.125 -1.180 5.484 1.00 0.00 C ATOM 1403 O ASN A 86 -12.261 -1.428 6.327 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.964 -1.469 3.289 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.626 -0.878 1.936 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.394 -1.003 0.980 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.467 -0.245 1.842 1.00 0.00 N ATOM 0 H ASN A 86 -10.989 0.607 4.292 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.681 -0.228 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.042 -1.747 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.539 -2.384 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.179 0.163 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.862 -0.165 2.659 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.420 -1.471 5.679 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.899 -2.166 6.874 1.00 0.00 C ATOM 1416 C PRO A 87 -14.354 -3.592 6.964 1.00 0.00 C ATOM 1417 O PRO A 87 -13.926 -4.156 5.955 1.00 0.00 O ATOM 1418 CB PRO A 87 -16.425 -2.172 6.712 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.672 -1.950 5.262 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.515 -1.137 4.753 1.00 0.00 C ATOM 0 HA PRO A 87 -14.569 -1.676 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.851 -3.120 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.886 -1.389 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.743 -2.899 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.614 -1.425 5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.264 -1.398 3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.739 -0.070 4.766 1.00 0.00 H new ATOM 1428 N PRO A 88 -14.358 -4.174 8.183 1.00 0.00 N ATOM 1429 CA PRO A 88 -13.792 -5.497 8.483 1.00 0.00 C ATOM 1430 C PRO A 88 -14.002 -6.544 7.389 1.00 0.00 C ATOM 1431 O PRO A 88 -13.064 -7.253 7.016 1.00 0.00 O ATOM 1432 CB PRO A 88 -14.528 -5.924 9.764 1.00 0.00 C ATOM 1433 CG PRO A 88 -15.408 -4.773 10.149 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.911 -3.575 9.396 1.00 0.00 C ATOM 0 HA PRO A 88 -12.708 -5.429 8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.119 -6.824 9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -13.820 -6.155 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.448 -4.982 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.367 -4.598 11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.715 -2.873 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -14.156 -3.026 9.959 1.00 0.00 H new ATOM 1442 N ASP A 89 -15.217 -6.639 6.869 1.00 0.00 N ATOM 1443 CA ASP A 89 -15.510 -7.644 5.850 1.00 0.00 C ATOM 1444 C ASP A 89 -15.383 -7.046 4.460 1.00 0.00 C ATOM 1445 O ASP A 89 -16.362 -6.590 3.867 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.902 -8.271 6.022 1.00 0.00 C ATOM 1447 CG ASP A 89 -17.125 -9.413 5.048 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -17.867 -9.230 4.060 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.544 -10.497 5.257 1.00 0.00 O ATOM 0 H ASP A 89 -16.005 -6.046 7.128 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.776 -8.440 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.014 -8.636 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -17.666 -7.509 5.871 1.00 0.00 H new ATOM 1454 N HIS A 90 -14.164 -7.029 3.955 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.903 -6.558 2.608 1.00 0.00 C ATOM 1456 C HIS A 90 -12.602 -7.171 2.103 1.00 0.00 C ATOM 1457 O HIS A 90 -11.735 -7.538 2.888 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.810 -5.028 2.577 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.409 -4.425 1.333 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.674 -4.213 0.191 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.676 -4.015 1.037 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.450 -3.707 -0.744 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.667 -3.577 -0.261 1.00 0.00 N ATOM 0 H HIS A 90 -13.334 -7.338 4.461 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.726 -6.862 1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.318 -4.621 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.763 -4.732 2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.527 -4.032 1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.139 -3.442 -1.744 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.472 -3.210 -0.770 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.470 -7.278 0.791 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.317 -7.941 0.184 1.00 0.00 C ATOM 1474 C ASP A 91 -10.028 -7.151 0.347 1.00 0.00 C ATOM 1475 O ASP A 91 -8.955 -7.734 0.475 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.560 -8.192 -1.302 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.541 -9.322 -1.544 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.092 -10.453 -1.824 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.764 -9.090 -1.437 1.00 0.00 O ATOM 0 H ASP A 91 -13.147 -6.914 0.120 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.200 -8.887 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.939 -7.280 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.613 -8.426 -1.788 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.121 -5.828 0.345 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.918 -5.004 0.353 1.00 0.00 C ATOM 1486 C VAL A 92 -8.230 -5.028 1.707 1.00 0.00 C ATOM 1487 O VAL A 92 -7.024 -4.819 1.788 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.167 -3.547 -0.090 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.181 -3.170 -1.176 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.588 -3.352 -0.573 1.00 0.00 C ATOM 0 H VAL A 92 -10.999 -5.309 0.338 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.258 -5.454 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.021 -2.895 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.359 -2.141 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.165 -3.263 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.309 -3.835 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.730 -2.315 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.777 -4.009 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.282 -3.592 0.232 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.976 -5.308 2.768 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.366 -5.424 4.083 1.00 0.00 C ATOM 1502 C VAL A 93 -7.627 -6.755 4.192 1.00 0.00 C ATOM 1503 O VAL A 93 -6.570 -6.844 4.811 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.393 -5.286 5.238 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.154 -3.976 5.126 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.364 -6.451 5.270 1.00 0.00 C ATOM 0 H VAL A 93 -9.985 -5.456 2.745 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.664 -4.597 4.187 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.831 -5.292 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.869 -3.899 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.453 -3.143 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.687 -3.945 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.066 -6.317 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.912 -6.494 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.813 -7.380 5.412 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.178 -7.777 3.543 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.566 -9.098 3.520 1.00 0.00 C ATOM 1518 C ALA A 94 -6.317 -9.103 2.646 1.00 0.00 C ATOM 1519 O ALA A 94 -5.286 -9.662 3.025 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.566 -10.139 3.035 1.00 0.00 C ATOM 0 H ALA A 94 -9.053 -7.712 3.023 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.267 -9.354 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.093 -11.121 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.425 -10.158 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.897 -9.884 2.028 1.00 0.00 H new ATOM 1526 N MET A 95 -6.405 -8.465 1.481 1.00 0.00 N ATOM 1527 CA MET A 95 -5.251 -8.343 0.597 1.00 0.00 C ATOM 1528 C MET A 95 -4.175 -7.485 1.259 1.00 0.00 C ATOM 1529 O MET A 95 -2.982 -7.745 1.102 1.00 0.00 O ATOM 1530 CB MET A 95 -5.653 -7.765 -0.770 1.00 0.00 C ATOM 1531 CG MET A 95 -6.536 -8.702 -1.598 1.00 0.00 C ATOM 1532 SD MET A 95 -6.875 -8.076 -3.261 1.00 0.00 S ATOM 1533 CE MET A 95 -8.363 -7.114 -2.999 1.00 0.00 C ATOM 0 H MET A 95 -7.257 -8.028 1.130 1.00 0.00 H new ATOM 0 HA MET A 95 -4.845 -9.339 0.421 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.181 -6.824 -0.616 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.751 -7.535 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.050 -9.675 -1.675 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.480 -8.857 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.208 -7.615 -3.471 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.550 -7.017 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.238 -6.124 -3.437 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.604 -6.486 2.036 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.670 -5.641 2.772 1.00 0.00 C ATOM 1545 C ALA A 96 -2.996 -6.438 3.886 1.00 0.00 C ATOM 1546 O ALA A 96 -1.869 -6.144 4.268 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.373 -4.417 3.349 1.00 0.00 C ATOM 0 H ALA A 96 -5.587 -6.247 2.169 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.907 -5.296 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.652 -3.806 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.808 -3.832 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.162 -4.738 4.029 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.692 -7.449 4.406 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.139 -8.297 5.466 1.00 0.00 C ATOM 1555 C ARG A 97 -2.068 -9.236 4.923 1.00 0.00 C ATOM 1556 O ARG A 97 -0.991 -9.369 5.503 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.228 -9.133 6.147 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.151 -8.337 7.053 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.107 -9.248 7.807 1.00 0.00 C ATOM 1560 NE ARG A 97 -5.398 -10.184 8.683 1.00 0.00 N ATOM 1561 CZ ARG A 97 -5.912 -11.333 9.121 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.137 -11.697 8.763 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -5.199 -12.117 9.921 1.00 0.00 N ATOM 0 H ARG A 97 -4.636 -7.701 4.113 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.694 -7.624 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.826 -9.624 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.753 -9.920 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.558 -7.761 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.720 -7.622 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.791 -8.643 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.713 -9.807 7.094 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.452 -9.941 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.689 -11.097 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.527 -12.577 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.258 -11.840 10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.592 -12.996 10.256 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.370 -9.893 3.814 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.454 -10.868 3.232 1.00 0.00 C ATOM 1579 C LYS A 98 -0.186 -10.185 2.706 1.00 0.00 C ATOM 1580 O LYS A 98 0.933 -10.676 2.906 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.161 -11.645 2.122 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.346 -12.802 1.570 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.083 -13.517 0.451 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.309 -14.722 -0.042 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.068 -15.714 1.038 1.00 0.00 N ATOM 0 H LYS A 98 -3.241 -9.771 3.297 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.149 -11.569 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.107 -12.029 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.401 -10.961 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.390 -12.431 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.125 -13.508 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.064 -13.833 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.249 -12.827 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.859 -15.198 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.354 -14.395 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.786 -16.623 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.310 -15.371 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.939 -15.844 1.591 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.363 -9.052 2.039 1.00 0.00 N ATOM 1600 CA LEU A 99 0.768 -8.244 1.596 1.00 0.00 C ATOM 1601 C LEU A 99 1.512 -7.639 2.786 1.00 0.00 C ATOM 1602 O LEU A 99 2.706 -7.346 2.697 1.00 0.00 O ATOM 1603 CB LEU A 99 0.325 -7.128 0.649 1.00 0.00 C ATOM 1604 CG LEU A 99 0.345 -7.433 -0.859 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.873 -6.232 -1.603 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.207 -8.633 -1.197 1.00 0.00 C ATOM 0 H LEU A 99 -1.277 -8.671 1.793 1.00 0.00 H new ATOM 0 HA LEU A 99 1.441 -8.910 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.690 -6.838 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.963 -6.262 0.827 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.678 -7.662 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.889 -6.444 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.228 -5.374 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.884 -6.009 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.186 -8.804 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.233 -8.445 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.823 -9.514 -0.682 1.00 0.00 H new ATOM 1618 N GLN A 100 0.809 -7.448 3.895 1.00 0.00 N ATOM 1619 CA GLN A 100 1.441 -6.983 5.123 1.00 0.00 C ATOM 1620 C GLN A 100 2.404 -8.048 5.631 1.00 0.00 C ATOM 1621 O GLN A 100 3.442 -7.740 6.205 1.00 0.00 O ATOM 1622 CB GLN A 100 0.383 -6.680 6.191 1.00 0.00 C ATOM 1623 CG GLN A 100 0.932 -6.050 7.461 1.00 0.00 C ATOM 1624 CD GLN A 100 1.547 -4.687 7.221 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.743 -4.565 6.958 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.735 -3.648 7.321 1.00 0.00 N ATOM 0 H GLN A 100 -0.196 -7.607 3.970 1.00 0.00 H new ATOM 0 HA GLN A 100 1.990 -6.065 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.366 -6.013 5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.128 -7.607 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.129 -5.958 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.683 -6.711 7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.251 -3.790 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.095 -2.704 7.178 1.00 0.00 H new ATOM 1635 N ASP A 101 2.049 -9.307 5.399 1.00 0.00 N ATOM 1636 CA ASP A 101 2.887 -10.433 5.795 1.00 0.00 C ATOM 1637 C ASP A 101 4.215 -10.418 5.046 1.00 0.00 C ATOM 1638 O ASP A 101 5.279 -10.444 5.664 1.00 0.00 O ATOM 1639 CB ASP A 101 2.157 -11.755 5.548 1.00 0.00 C ATOM 1640 CG ASP A 101 3.060 -12.963 5.711 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.190 -13.466 6.845 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.633 -13.421 4.699 1.00 0.00 O ATOM 0 H ASP A 101 1.181 -9.574 4.936 1.00 0.00 H new ATOM 0 HA ASP A 101 3.095 -10.338 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.319 -11.837 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.740 -11.752 4.541 1.00 0.00 H new ATOM 1647 N VAL A 102 4.151 -10.364 3.717 1.00 0.00 N ATOM 1648 CA VAL A 102 5.369 -10.362 2.906 1.00 0.00 C ATOM 1649 C VAL A 102 6.245 -9.154 3.227 1.00 0.00 C ATOM 1650 O VAL A 102 7.418 -9.310 3.570 1.00 0.00 O ATOM 1651 CB VAL A 102 5.069 -10.420 1.384 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.935 -9.501 1.003 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.301 -10.075 0.564 1.00 0.00 C ATOM 0 H VAL A 102 3.282 -10.322 3.184 1.00 0.00 H new ATOM 0 HA VAL A 102 5.914 -11.270 3.166 1.00 0.00 H new ATOM 0 HB VAL A 102 4.773 -11.445 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.756 -9.570 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.033 -9.793 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.196 -8.475 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.057 -10.125 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.633 -9.067 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.097 -10.785 0.787 1.00 0.00 H new ATOM 1663 N PHE A 103 5.666 -7.963 3.139 1.00 0.00 N ATOM 1664 CA PHE A 103 6.390 -6.728 3.430 1.00 0.00 C ATOM 1665 C PHE A 103 6.989 -6.743 4.846 1.00 0.00 C ATOM 1666 O PHE A 103 8.103 -6.257 5.054 1.00 0.00 O ATOM 1667 CB PHE A 103 5.479 -5.510 3.195 1.00 0.00 C ATOM 1668 CG PHE A 103 5.900 -4.266 3.942 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.133 -3.683 3.694 1.00 0.00 C ATOM 1670 CD2 PHE A 103 5.071 -3.684 4.897 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.535 -2.555 4.381 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.470 -2.554 5.582 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.702 -1.990 5.326 1.00 0.00 C ATOM 0 H PHE A 103 4.693 -7.824 2.867 1.00 0.00 H new ATOM 0 HA PHE A 103 7.233 -6.651 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.456 -5.289 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.462 -5.770 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.788 -4.117 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.105 -4.121 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.500 -2.115 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.817 -2.111 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.015 -1.107 5.864 1.00 0.00 H new ATOM 1683 N GLU A 104 6.269 -7.321 5.811 1.00 0.00 N ATOM 1684 CA GLU A 104 6.776 -7.461 7.169 1.00 0.00 C ATOM 1685 C GLU A 104 8.093 -8.224 7.192 1.00 0.00 C ATOM 1686 O GLU A 104 9.108 -7.701 7.650 1.00 0.00 O ATOM 1687 CB GLU A 104 5.748 -8.193 8.017 1.00 0.00 C ATOM 1688 CG GLU A 104 5.376 -7.480 9.296 1.00 0.00 C ATOM 1689 CD GLU A 104 6.282 -7.829 10.458 1.00 0.00 C ATOM 1690 OE1 GLU A 104 7.278 -7.113 10.683 1.00 0.00 O ATOM 1691 OE2 GLU A 104 5.999 -8.827 11.158 1.00 0.00 O ATOM 0 H GLU A 104 5.332 -7.699 5.672 1.00 0.00 H new ATOM 0 HA GLU A 104 6.955 -6.465 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.846 -8.344 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.136 -9.181 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.410 -6.404 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.348 -7.729 9.558 1.00 0.00 H new ATOM 1698 N PHE A 105 8.076 -9.450 6.681 1.00 0.00 N ATOM 1699 CA PHE A 105 9.262 -10.300 6.687 1.00 0.00 C ATOM 1700 C PHE A 105 10.377 -9.712 5.835 1.00 0.00 C ATOM 1701 O PHE A 105 11.557 -9.918 6.118 1.00 0.00 O ATOM 1702 CB PHE A 105 8.921 -11.710 6.202 1.00 0.00 C ATOM 1703 CG PHE A 105 8.199 -12.534 7.224 1.00 0.00 C ATOM 1704 CD1 PHE A 105 6.818 -12.627 7.216 1.00 0.00 C ATOM 1705 CD2 PHE A 105 8.907 -13.216 8.200 1.00 0.00 C ATOM 1706 CE1 PHE A 105 6.157 -13.385 8.161 1.00 0.00 C ATOM 1707 CE2 PHE A 105 8.251 -13.976 9.147 1.00 0.00 C ATOM 1708 CZ PHE A 105 6.874 -14.060 9.128 1.00 0.00 C ATOM 0 H PHE A 105 7.253 -9.878 6.257 1.00 0.00 H new ATOM 0 HA PHE A 105 9.616 -10.355 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.307 -11.639 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.841 -12.221 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.252 -12.101 6.462 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.985 -13.152 8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.079 -13.450 8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.815 -14.504 9.902 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.358 -14.653 9.869 1.00 0.00 H new ATOM 1718 N ARG A 106 10.007 -8.970 4.803 1.00 0.00 N ATOM 1719 CA ARG A 106 10.986 -8.334 3.943 1.00 0.00 C ATOM 1720 C ARG A 106 11.719 -7.232 4.693 1.00 0.00 C ATOM 1721 O ARG A 106 12.946 -7.145 4.642 1.00 0.00 O ATOM 1722 CB ARG A 106 10.313 -7.768 2.696 1.00 0.00 C ATOM 1723 CG ARG A 106 9.789 -8.829 1.745 1.00 0.00 C ATOM 1724 CD ARG A 106 10.911 -9.697 1.200 1.00 0.00 C ATOM 1725 NE ARG A 106 10.420 -10.674 0.235 1.00 0.00 N ATOM 1726 CZ ARG A 106 11.113 -11.722 -0.204 1.00 0.00 C ATOM 1727 NH1 ARG A 106 12.337 -11.970 0.254 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.581 -12.518 -1.119 1.00 0.00 N ATOM 0 H ARG A 106 9.036 -8.795 4.543 1.00 0.00 H new ATOM 0 HA ARG A 106 11.712 -9.086 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.486 -7.127 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.026 -7.138 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.063 -9.455 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.265 -8.350 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.663 -9.065 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.403 -10.215 2.024 1.00 0.00 H new ATOM 0 HE ARG A 106 9.476 -10.545 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.756 -11.353 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.857 -12.777 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.647 -12.326 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.105 -13.323 -1.461 1.00 0.00 H new ATOM 1742 N TYR A 107 10.967 -6.399 5.399 1.00 0.00 N ATOM 1743 CA TYR A 107 11.572 -5.336 6.190 1.00 0.00 C ATOM 1744 C TYR A 107 12.252 -5.918 7.432 1.00 0.00 C ATOM 1745 O TYR A 107 13.208 -5.348 7.951 1.00 0.00 O ATOM 1746 CB TYR A 107 10.536 -4.276 6.593 1.00 0.00 C ATOM 1747 CG TYR A 107 11.167 -2.999 7.111 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.494 -1.962 6.245 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.464 -2.843 8.459 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.099 -0.812 6.710 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.063 -1.692 8.929 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.379 -0.681 8.049 1.00 0.00 C ATOM 1753 OH TYR A 107 12.988 0.462 8.507 1.00 0.00 O ATOM 0 H TYR A 107 9.949 -6.437 5.441 1.00 0.00 H new ATOM 0 HA TYR A 107 12.324 -4.847 5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.910 -4.042 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.881 -4.689 7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.271 -2.058 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.222 -3.636 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.352 -0.017 6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.283 -1.585 9.981 1.00 0.00 H new ATOM 0 HH TYR A 107 12.543 0.764 9.326 1.00 0.00 H new ATOM 1763 N ALA A 108 11.755 -7.057 7.899 1.00 0.00 N ATOM 1764 CA ALA A 108 12.336 -7.730 9.053 1.00 0.00 C ATOM 1765 C ALA A 108 13.696 -8.326 8.711 1.00 0.00 C ATOM 1766 O ALA A 108 14.627 -8.272 9.512 1.00 0.00 O ATOM 1767 CB ALA A 108 11.395 -8.811 9.556 1.00 0.00 C ATOM 0 H ALA A 108 10.949 -7.534 7.495 1.00 0.00 H new ATOM 0 HA ALA A 108 12.481 -6.992 9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.839 -9.308 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.445 -8.361 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.224 -9.541 8.765 1.00 0.00 H new ATOM 1773 N LYS A 109 13.803 -8.896 7.517 1.00 0.00 N ATOM 1774 CA LYS A 109 15.069 -9.443 7.043 1.00 0.00 C ATOM 1775 C LYS A 109 16.041 -8.309 6.745 1.00 0.00 C ATOM 1776 O LYS A 109 17.256 -8.458 6.867 1.00 0.00 O ATOM 1777 CB LYS A 109 14.849 -10.282 5.784 1.00 0.00 C ATOM 1778 CG LYS A 109 15.484 -11.662 5.845 1.00 0.00 C ATOM 1779 CD LYS A 109 14.835 -12.540 6.906 1.00 0.00 C ATOM 1780 CE LYS A 109 13.367 -12.811 6.608 1.00 0.00 C ATOM 1781 NZ LYS A 109 12.770 -13.744 7.597 1.00 0.00 N ATOM 0 H LYS A 109 13.029 -8.992 6.859 1.00 0.00 H new ATOM 0 HA LYS A 109 15.488 -10.082 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.778 -10.393 5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.253 -9.745 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.397 -12.145 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.548 -11.563 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.372 -13.486 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.923 -12.057 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.815 -11.871 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.270 -13.231 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.770 -13.905 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.282 -14.649 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.840 -13.332 8.549 1.00 0.00 H new ATOM 1795 N MET A 110 15.480 -7.176 6.350 1.00 0.00 N ATOM 1796 CA MET A 110 16.255 -5.977 6.071 1.00 0.00 C ATOM 1797 C MET A 110 16.899 -5.430 7.347 1.00 0.00 C ATOM 1798 O MET A 110 16.215 -5.183 8.339 1.00 0.00 O ATOM 1799 CB MET A 110 15.348 -4.918 5.420 1.00 0.00 C ATOM 1800 CG MET A 110 15.967 -3.534 5.303 1.00 0.00 C ATOM 1801 SD MET A 110 15.657 -2.510 6.750 1.00 0.00 S ATOM 1802 CE MET A 110 16.444 -0.995 6.236 1.00 0.00 C ATOM 0 H MET A 110 14.476 -7.062 6.214 1.00 0.00 H new ATOM 0 HA MET A 110 17.059 -6.231 5.380 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.069 -5.261 4.424 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.428 -4.842 6.000 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.043 -3.633 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.569 -3.036 4.419 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.032 -0.160 6.803 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.517 -1.062 6.418 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.266 -0.835 5.173 1.00 0.00 H new ATOM 1812 N PRO A 111 18.232 -5.269 7.354 1.00 0.00 N ATOM 1813 CA PRO A 111 18.932 -4.657 8.471 1.00 0.00 C ATOM 1814 C PRO A 111 18.983 -3.138 8.350 1.00 0.00 C ATOM 1815 O PRO A 111 19.140 -2.591 7.254 1.00 0.00 O ATOM 1816 CB PRO A 111 20.329 -5.249 8.372 1.00 0.00 C ATOM 1817 CG PRO A 111 20.532 -5.532 6.917 1.00 0.00 C ATOM 1818 CD PRO A 111 19.164 -5.688 6.291 1.00 0.00 C ATOM 0 HA PRO A 111 18.441 -4.851 9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.079 -4.553 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.414 -6.159 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.081 -4.720 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.122 -6.438 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.059 -5.067 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.981 -6.718 5.984 1.00 0.00 H new ATOM 1826 N ASP A 112 18.876 -2.470 9.480 1.00 0.00 N ATOM 1827 CA ASP A 112 18.802 -1.017 9.512 1.00 0.00 C ATOM 1828 C ASP A 112 19.785 -0.457 10.526 1.00 0.00 C ATOM 1829 O ASP A 112 20.739 0.235 10.115 1.00 0.00 O ATOM 1830 CB ASP A 112 17.380 -0.565 9.851 1.00 0.00 C ATOM 1831 CG ASP A 112 17.258 0.939 9.984 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.776 1.411 11.039 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.634 1.660 9.037 1.00 0.00 O ATOM 1834 OXT ASP A 112 19.622 -0.744 11.732 1.00 0.00 O ATOM 0 H ASP A 112 18.838 -2.912 10.399 1.00 0.00 H new ATOM 0 HA ASP A 112 19.065 -0.636 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 112 16.698 -0.913 9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 112 17.067 -1.034 10.784 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -20.632 6.313 14.137 1.00 0.00 N ATOM 1841 CA HIS B 281 -20.489 5.093 13.308 1.00 0.00 C ATOM 1842 C HIS B 281 -19.922 5.447 11.940 1.00 0.00 C ATOM 1843 O HIS B 281 -18.819 5.022 11.593 1.00 0.00 O ATOM 1844 CB HIS B 281 -21.839 4.388 13.142 1.00 0.00 C ATOM 1845 CG HIS B 281 -22.405 3.847 14.417 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -23.490 4.407 15.057 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -22.030 2.789 15.172 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -23.755 3.719 16.150 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -22.886 2.732 16.242 1.00 0.00 N ATOM 0 HA HIS B 281 -19.802 4.417 13.816 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -22.552 5.089 12.709 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -21.725 3.570 12.431 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -21.210 2.116 14.970 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -24.549 3.929 16.851 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -22.855 2.038 16.989 1.00 0.00 H new ATOM 1860 N ASN B 282 -20.683 6.233 11.178 1.00 0.00 N ATOM 1861 CA ASN B 282 -20.271 6.694 9.851 1.00 0.00 C ATOM 1862 C ASN B 282 -20.135 5.522 8.891 1.00 0.00 C ATOM 1863 O ASN B 282 -19.038 4.994 8.689 1.00 0.00 O ATOM 1864 CB ASN B 282 -18.952 7.481 9.905 1.00 0.00 C ATOM 1865 CG ASN B 282 -19.024 8.692 10.814 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -18.701 8.613 12.000 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -19.447 9.821 10.270 1.00 0.00 N ATOM 0 H ASN B 282 -21.603 6.568 11.463 1.00 0.00 H new ATOM 0 HA ASN B 282 -21.050 7.364 9.488 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -18.155 6.822 10.249 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -18.686 7.804 8.898 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -19.515 10.666 10.837 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -19.705 9.846 9.284 1.00 0.00 H new ATOM 1874 N LEU B 283 -21.256 5.099 8.320 1.00 0.00 N ATOM 1875 CA LEU B 283 -21.245 4.025 7.338 1.00 0.00 C ATOM 1876 C LEU B 283 -20.585 4.503 6.046 1.00 0.00 C ATOM 1877 O LEU B 283 -21.187 5.210 5.233 1.00 0.00 O ATOM 1878 CB LEU B 283 -22.665 3.477 7.071 1.00 0.00 C ATOM 1879 CG LEU B 283 -23.648 4.401 6.332 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.848 3.606 5.844 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -24.113 5.548 7.217 1.00 0.00 C ATOM 0 H LEU B 283 -22.180 5.482 8.520 1.00 0.00 H new ATOM 0 HA LEU B 283 -20.660 3.201 7.745 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -22.569 2.556 6.495 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.109 3.209 8.030 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.122 4.827 5.478 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -25.537 4.270 5.322 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -24.513 2.823 5.163 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.355 3.153 6.696 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -24.806 6.179 6.661 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -24.614 5.148 8.098 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -23.252 6.140 7.527 1.00 0.00 H new ATOM 1893 N LEU B 284 -19.323 4.141 5.884 1.00 0.00 N ATOM 1894 CA LEU B 284 -18.567 4.526 4.706 1.00 0.00 C ATOM 1895 C LEU B 284 -19.026 3.721 3.505 1.00 0.00 C ATOM 1896 O LEU B 284 -19.379 2.545 3.630 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.067 4.323 4.936 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.469 5.124 6.094 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -14.962 4.934 6.149 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -16.820 6.599 5.966 1.00 0.00 C ATOM 0 H LEU B 284 -18.800 3.579 6.556 1.00 0.00 H new ATOM 0 HA LEU B 284 -18.745 5.584 4.512 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -16.884 3.264 5.116 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -16.537 4.587 4.021 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.897 4.753 7.025 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -14.553 5.511 6.978 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -14.733 3.878 6.293 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -14.518 5.277 5.215 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -16.385 7.150 6.800 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.423 6.987 5.028 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -17.903 6.718 5.979 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.026 4.363 2.348 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.449 3.726 1.113 1.00 0.00 C ATOM 1914 C ARG B 285 -18.438 2.664 0.722 1.00 0.00 C ATOM 1915 O ARG B 285 -17.326 2.988 0.313 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.583 4.756 -0.021 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.715 5.756 0.156 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.406 6.773 1.240 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.490 7.731 1.416 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.436 8.768 2.250 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.349 8.979 2.985 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.471 9.593 2.349 1.00 0.00 N ATOM 0 H ARG B 285 -18.735 5.334 2.239 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.425 3.268 1.275 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.644 5.303 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.731 4.224 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.894 6.273 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.633 5.225 0.407 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.224 6.255 2.182 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.489 7.306 0.987 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.340 7.600 0.868 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -19.553 8.346 2.911 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -20.311 9.774 3.623 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.307 9.433 1.787 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -22.431 10.387 2.987 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.813 1.402 0.881 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.925 0.293 0.562 1.00 0.00 C ATOM 1938 C ILE B 286 -17.335 0.425 -0.838 1.00 0.00 C ATOM 1939 O ILE B 286 -18.060 0.487 -1.835 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.606 -1.095 0.698 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.905 -1.200 -0.129 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.866 -1.417 2.162 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -21.113 -0.498 0.468 1.00 0.00 C ATOM 0 H ILE B 286 -19.729 1.120 1.230 1.00 0.00 H new ATOM 0 HA ILE B 286 -17.125 0.349 1.301 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.916 -1.834 0.291 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.719 -0.788 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -20.147 -2.254 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.344 -2.393 2.240 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.921 -1.431 2.705 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.520 -0.658 2.591 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -21.973 -0.631 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -21.334 -0.924 1.447 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.900 0.566 0.575 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.439 2.368 0.588 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.851 1.777 -0.313 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.328 1.618 -0.239 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.493 1.272 -1.356 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.938 1.361 -1.549 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.407 0.449 -2.670 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.872 0.666 -3.019 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.776 0.465 -1.815 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.267 0.525 -2.135 1.00 0.00 C HETATM 1964 N ALY B 287 -16.012 0.516 -0.885 1.00 0.00 N HETATM 1965 C ALY B 287 -15.659 -0.692 -2.971 1.00 0.00 C HETATM 1966 O ALY B 287 -15.768 -1.789 -2.438 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.860 2.602 -0.212 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.063 1.066 0.663 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.976 1.073 -1.115 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.944 0.791 -2.069 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.163 -0.024 -3.811 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.007 1.675 -3.410 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.213 2.391 -1.777 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.447 1.093 -0.623 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.256 -0.590 -2.377 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.796 0.622 -3.556 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.491 1.432 -2.696 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.545 1.226 -1.070 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.551 -0.501 -1.363 1.00 0.00 H new HETATM 0 H ALY B 287 -15.515 0.474 0.005 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.894 -0.506 -4.259 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.184 -1.636 -5.136 1.00 0.00 C ATOM 1983 C GLN B 288 -14.886 -2.372 -5.452 1.00 0.00 C ATOM 1984 O GLN B 288 -14.241 -2.108 -6.464 1.00 0.00 O ATOM 1985 CB GLN B 288 -16.855 -1.161 -6.425 1.00 0.00 C ATOM 1986 CG GLN B 288 -17.268 -2.294 -7.349 1.00 0.00 C ATOM 1987 CD GLN B 288 -17.857 -1.799 -8.652 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -17.501 -0.728 -9.144 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -18.758 -2.577 -9.224 1.00 0.00 N ATOM 0 H GLN B 288 -15.891 0.404 -4.720 1.00 0.00 H new ATOM 0 HA GLN B 288 -16.871 -2.314 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.736 -0.572 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -16.172 -0.499 -6.958 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -16.401 -2.919 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -17.998 -2.924 -6.841 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -19.025 -3.457 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -19.186 -2.298 -10.107 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.508 -3.292 -4.576 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.184 -3.896 -4.628 1.00 0.00 C ATOM 2000 C PHE B 289 -13.198 -5.335 -4.122 1.00 0.00 C ATOM 2001 O PHE B 289 -13.137 -5.575 -2.914 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.233 -3.077 -3.764 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.150 -2.363 -4.515 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.435 -1.577 -5.618 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -9.843 -2.462 -4.088 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.429 -0.904 -6.281 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -8.832 -1.798 -4.742 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.123 -1.014 -5.843 1.00 0.00 C ATOM 0 H PHE B 289 -15.100 -3.637 -3.820 1.00 0.00 H new ATOM 0 HA PHE B 289 -12.857 -3.906 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.814 -2.342 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -11.771 -3.739 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.455 -1.489 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.610 -3.070 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -10.662 -0.293 -7.140 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -7.813 -1.889 -4.396 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.332 -0.489 -6.359 1.00 0.00 H new ATOM 2018 N LEU B 290 -13.261 -6.281 -5.043 1.00 0.00 N ATOM 2019 CA LEU B 290 -13.194 -7.693 -4.691 1.00 0.00 C ATOM 2020 C LEU B 290 -12.399 -8.469 -5.741 1.00 0.00 C ATOM 2021 O LEU B 290 -11.448 -9.182 -5.413 1.00 0.00 O ATOM 2022 CB LEU B 290 -14.599 -8.301 -4.503 1.00 0.00 C ATOM 2023 CG LEU B 290 -15.557 -8.238 -5.704 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -16.706 -9.212 -5.505 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -16.109 -6.832 -5.897 1.00 0.00 C ATOM 0 H LEU B 290 -13.359 -6.099 -6.042 1.00 0.00 H new ATOM 0 HA LEU B 290 -12.676 -7.773 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -14.480 -9.347 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -15.076 -7.796 -3.663 1.00 0.00 H new ATOM 0 HG LEU B 290 -14.994 -8.512 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -17.379 -9.160 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -16.313 -10.225 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -17.251 -8.951 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -16.783 -6.820 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -16.654 -6.529 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -15.286 -6.139 -6.073 1.00 0.00 H new ATOM 2037 N GLN B 291 -12.779 -8.309 -7.001 1.00 0.00 N ATOM 2038 CA GLN B 291 -12.084 -8.950 -8.111 1.00 0.00 C ATOM 2039 C GLN B 291 -12.069 -8.023 -9.313 1.00 0.00 C ATOM 2040 O GLN B 291 -13.075 -7.384 -9.625 1.00 0.00 O ATOM 2041 CB GLN B 291 -12.744 -10.283 -8.484 1.00 0.00 C ATOM 2042 CG GLN B 291 -12.350 -11.440 -7.575 1.00 0.00 C ATOM 2043 CD GLN B 291 -10.904 -11.874 -7.762 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -10.039 -11.074 -8.124 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -10.626 -13.141 -7.503 1.00 0.00 N ATOM 0 H GLN B 291 -13.573 -7.735 -7.283 1.00 0.00 H new ATOM 0 HA GLN B 291 -11.060 -9.157 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -13.827 -10.162 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -12.479 -10.534 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -12.505 -11.148 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -13.007 -12.288 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -11.367 -13.775 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -9.670 -13.484 -7.601 1.00 0.00 H new ATOM 2054 N SER B 292 -10.932 -7.943 -9.978 1.00 0.00 N ATOM 2055 CA SER B 292 -10.773 -7.044 -11.103 1.00 0.00 C ATOM 2056 C SER B 292 -9.909 -7.706 -12.170 1.00 0.00 C ATOM 2057 O SER B 292 -10.473 -8.200 -13.169 1.00 0.00 O ATOM 2058 CB SER B 292 -10.147 -5.726 -10.635 1.00 0.00 C ATOM 2059 OG SER B 292 -10.269 -4.708 -11.617 1.00 0.00 O ATOM 2060 OXT SER B 292 -8.676 -7.763 -11.992 1.00 0.00 O ATOM 0 H SER B 292 -10.102 -8.493 -9.756 1.00 0.00 H new ATOM 0 HA SER B 292 -11.750 -6.824 -11.534 1.00 0.00 H new ATOM 0 HB2 SER B 292 -10.629 -5.402 -9.713 1.00 0.00 H new ATOM 0 HB3 SER B 292 -9.094 -5.885 -10.405 1.00 0.00 H new ATOM 0 HG SER B 292 -9.861 -3.882 -11.284 1.00 0.00 H new TER 2066 SER B 292