USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ 174:sc= -1.63 (180deg=-0.912) USER MOD Set 1.2: A 92 ASN :FLIP amide:sc= -0.106 F(o=-4.5,f=-3.4) USER MOD Set 1.3: A 94 ASN : amide:sc= -1.63 K(o=-3.4,f=-4.9!) USER MOD Set 2.1: A 79 GLN : amide:sc= -4.16! C(o=-7.4!,f=-9.9!) USER MOD Set 2.2: A 100 ASN :FLIP amide:sc= -3.25 F(o=-13!,f=-7.4) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0.125 USER MOD Set 3.2: A 41 ASN :FLIP amide:sc= 0.0897 F(o=-0.66,f=0.21) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.97) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.705 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.2!) USER MOD Single : A 42 MET CE :methyl -131:sc= -0.0107 (180deg=-0.246) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0713) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 50 SER OG : rot -118:sc= 0.381 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.137 F(o=-0.65,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -148:sc= -0.56 (180deg=-3.29!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -8.82! C(o=-8.8!,f=-9!) USER MOD Single : A 66 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 75 TYR OH : rot 153:sc= 0.163 USER MOD Single : A 82 SER OG : rot 63:sc= 0.427 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0697) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -163:sc=-0.000413 (180deg=-0.474) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -50:sc= 0.322 USER MOD Single : A 104 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.12) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0.0845 (180deg=0.0187) USER MOD Single : A 113 THR OG1 : rot -110:sc= -0.41 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 60.364 5.496 -23.503 1.00 0.00 N ATOM 2 CA GLN A 23 61.559 5.625 -22.677 1.00 0.00 C ATOM 3 C GLN A 23 61.704 4.392 -21.772 1.00 0.00 C ATOM 4 O GLN A 23 60.792 3.577 -21.663 1.00 0.00 O ATOM 5 CB GLN A 23 61.473 6.921 -21.855 1.00 0.00 C ATOM 6 CG GLN A 23 62.848 7.490 -21.450 1.00 0.00 C ATOM 7 CD GLN A 23 62.914 8.999 -21.735 1.00 0.00 C ATOM 8 OE1 GLN A 23 62.331 9.812 -21.027 1.00 0.00 O ATOM 9 NE2 GLN A 23 63.638 9.316 -22.826 1.00 0.00 N ATOM 0 HA GLN A 23 62.445 5.679 -23.309 1.00 0.00 H new ATOM 0 HB2 GLN A 23 60.935 7.672 -22.433 1.00 0.00 H new ATOM 0 HB3 GLN A 23 60.888 6.732 -20.955 1.00 0.00 H new ATOM 0 HG2 GLN A 23 63.026 7.306 -20.390 1.00 0.00 H new ATOM 0 HG3 GLN A 23 63.637 6.976 -21.999 1.00 0.00 H new ATOM 0 HE21 GLN A 23 64.095 8.581 -23.366 1.00 0.00 H new ATOM 0 HE22 GLN A 23 63.729 10.291 -23.112 1.00 0.00 H new ATOM 17 N GLN A 24 62.891 4.308 -21.133 1.00 0.00 N ATOM 18 CA GLN A 24 63.178 3.210 -20.209 1.00 0.00 C ATOM 19 C GLN A 24 62.842 3.634 -18.770 1.00 0.00 C ATOM 20 O GLN A 24 63.278 4.677 -18.296 1.00 0.00 O ATOM 21 CB GLN A 24 64.666 2.826 -20.336 1.00 0.00 C ATOM 22 CG GLN A 24 64.885 1.620 -21.263 1.00 0.00 C ATOM 23 CD GLN A 24 64.199 0.376 -20.670 1.00 0.00 C ATOM 24 OE1 GLN A 24 64.061 0.235 -19.460 1.00 0.00 O ATOM 25 NE2 GLN A 24 63.745 -0.494 -21.591 1.00 0.00 N ATOM 0 H GLN A 24 63.650 4.980 -21.243 1.00 0.00 H new ATOM 0 HA GLN A 24 62.565 2.344 -20.457 1.00 0.00 H new ATOM 0 HB2 GLN A 24 65.227 3.679 -20.717 1.00 0.00 H new ATOM 0 HB3 GLN A 24 65.065 2.598 -19.348 1.00 0.00 H new ATOM 0 HG2 GLN A 24 64.481 1.832 -22.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 65.952 1.434 -21.387 1.00 0.00 H new ATOM 0 HE21 GLN A 24 63.896 -0.312 -22.583 1.00 0.00 H new ATOM 0 HE22 GLN A 24 63.250 -1.336 -21.297 1.00 0.00 H new ATOM 34 N VAL A 25 62.049 2.748 -18.118 1.00 0.00 N ATOM 35 CA VAL A 25 61.620 2.946 -16.730 1.00 0.00 C ATOM 36 C VAL A 25 62.260 1.849 -15.854 1.00 0.00 C ATOM 37 O VAL A 25 62.780 0.856 -16.351 1.00 0.00 O ATOM 38 CB VAL A 25 60.073 2.940 -16.687 1.00 0.00 C ATOM 39 CG1 VAL A 25 59.503 2.967 -15.258 1.00 0.00 C ATOM 40 CG2 VAL A 25 59.509 4.126 -17.488 1.00 0.00 C ATOM 0 H VAL A 25 61.698 1.889 -18.542 1.00 0.00 H new ATOM 0 HA VAL A 25 61.950 3.906 -16.333 1.00 0.00 H new ATOM 0 HB VAL A 25 59.761 1.998 -17.139 1.00 0.00 H new ATOM 0 HG11 VAL A 25 58.414 2.961 -15.301 1.00 0.00 H new ATOM 0 HG12 VAL A 25 59.849 2.090 -14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 25 59.841 3.869 -14.748 1.00 0.00 H new ATOM 0 HG21 VAL A 25 58.420 4.107 -17.448 1.00 0.00 H new ATOM 0 HG22 VAL A 25 59.872 5.060 -17.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 59.835 4.052 -18.525 1.00 0.00 H new ATOM 50 N GLY A 26 62.191 2.104 -14.526 1.00 0.00 N ATOM 51 CA GLY A 26 62.650 1.130 -13.541 1.00 0.00 C ATOM 52 C GLY A 26 64.155 1.260 -13.349 1.00 0.00 C ATOM 53 O GLY A 26 64.623 2.191 -12.703 1.00 0.00 O ATOM 0 H GLY A 26 61.825 2.969 -14.128 1.00 0.00 H new ATOM 0 HA2 GLY A 26 62.138 1.290 -12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.402 0.121 -13.871 1.00 0.00 H new ATOM 57 N ASP A 27 64.876 0.298 -13.974 1.00 0.00 N ATOM 58 CA ASP A 27 66.338 0.376 -14.046 1.00 0.00 C ATOM 59 C ASP A 27 66.939 0.087 -12.650 1.00 0.00 C ATOM 60 O ASP A 27 66.835 0.902 -11.742 1.00 0.00 O ATOM 61 CB ASP A 27 66.806 1.750 -14.589 1.00 0.00 C ATOM 62 CG ASP A 27 65.917 2.274 -15.744 1.00 0.00 C ATOM 63 OD1 ASP A 27 65.977 1.718 -16.840 1.00 0.00 O ATOM 64 OD2 ASP A 27 65.170 3.231 -15.529 1.00 0.00 O ATOM 0 H ASP A 27 64.470 -0.522 -14.425 1.00 0.00 H new ATOM 0 HA ASP A 27 66.696 -0.378 -14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.803 2.477 -13.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.835 1.666 -14.938 1.00 0.00 H new ATOM 69 N CYS A 28 67.553 -1.111 -12.532 1.00 0.00 N ATOM 70 CA CYS A 28 68.067 -1.568 -11.237 1.00 0.00 C ATOM 71 C CYS A 28 69.380 -2.343 -11.451 1.00 0.00 C ATOM 72 O CYS A 28 69.622 -2.888 -12.521 1.00 0.00 O ATOM 73 CB CYS A 28 67.023 -2.479 -10.588 1.00 0.00 C ATOM 74 SG CYS A 28 66.419 -3.726 -11.748 1.00 0.00 S ATOM 0 H CYS A 28 67.699 -1.761 -13.304 1.00 0.00 H new ATOM 0 HA CYS A 28 68.262 -0.714 -10.588 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.458 -2.971 -9.718 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.187 -1.878 -10.230 1.00 0.00 H new ATOM 0 HG CYS A 28 65.538 -4.478 -11.157 1.00 0.00 H new ATOM 80 N CYS A 29 70.214 -2.321 -10.384 1.00 0.00 N ATOM 81 CA CYS A 29 71.553 -2.916 -10.435 1.00 0.00 C ATOM 82 C CYS A 29 71.789 -3.723 -9.165 1.00 0.00 C ATOM 83 O CYS A 29 71.143 -3.500 -8.159 1.00 0.00 O ATOM 84 CB CYS A 29 72.615 -1.812 -10.542 1.00 0.00 C ATOM 85 SG CYS A 29 73.748 -2.116 -11.918 1.00 0.00 S ATOM 0 H CYS A 29 69.977 -1.898 -9.487 1.00 0.00 H new ATOM 0 HA CYS A 29 71.626 -3.566 -11.307 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.126 -0.847 -10.678 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.178 -1.756 -9.611 1.00 0.00 H new ATOM 0 HG CYS A 29 74.627 -1.160 -11.975 1.00 0.00 H new ATOM 91 N ILE A 30 72.756 -4.657 -9.262 1.00 0.00 N ATOM 92 CA ILE A 30 73.109 -5.483 -8.106 1.00 0.00 C ATOM 93 C ILE A 30 74.411 -4.939 -7.505 1.00 0.00 C ATOM 94 O ILE A 30 75.386 -4.671 -8.198 1.00 0.00 O ATOM 95 CB ILE A 30 73.257 -6.942 -8.565 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.902 -7.505 -9.036 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.854 -7.830 -7.454 1.00 0.00 C ATOM 98 CD1 ILE A 30 72.042 -8.849 -9.755 1.00 0.00 C ATOM 0 H ILE A 30 73.291 -4.850 -10.109 1.00 0.00 H new ATOM 0 HA ILE A 30 72.334 -5.449 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 30 73.951 -6.952 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.243 -7.624 -8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.427 -6.787 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.944 -8.854 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.840 -7.455 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.201 -7.809 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 30 71.058 -9.200 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.677 -8.728 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.491 -9.578 -9.080 1.00 0.00 H new ATOM 110 N ILE A 31 74.346 -4.813 -6.164 1.00 0.00 N ATOM 111 CA ILE A 31 75.443 -4.300 -5.362 1.00 0.00 C ATOM 112 C ILE A 31 75.747 -5.300 -4.228 1.00 0.00 C ATOM 113 O ILE A 31 74.906 -6.098 -3.827 1.00 0.00 O ATOM 114 CB ILE A 31 75.010 -2.931 -4.804 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.657 -3.039 -4.072 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.941 -1.867 -5.916 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.554 -2.121 -2.861 1.00 0.00 C ATOM 0 H ILE A 31 73.523 -5.069 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 31 76.351 -4.178 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 31 75.766 -2.615 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.854 -2.801 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.506 -4.070 -3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.633 -0.913 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.923 -1.758 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.219 -2.176 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.578 -2.246 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.336 -2.374 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.674 -1.085 -3.178 1.00 0.00 H new ATOM 129 N ARG A 32 77.001 -5.192 -3.756 1.00 0.00 N ATOM 130 CA ARG A 32 77.517 -6.028 -2.675 1.00 0.00 C ATOM 131 C ARG A 32 77.771 -5.098 -1.478 1.00 0.00 C ATOM 132 O ARG A 32 78.361 -4.043 -1.652 1.00 0.00 O ATOM 133 CB ARG A 32 78.823 -6.652 -3.198 1.00 0.00 C ATOM 134 CG ARG A 32 79.634 -7.334 -2.102 1.00 0.00 C ATOM 135 CD ARG A 32 81.091 -7.636 -2.490 1.00 0.00 C ATOM 136 NE ARG A 32 81.160 -9.045 -2.822 1.00 0.00 N ATOM 137 CZ ARG A 32 80.798 -9.415 -4.061 1.00 0.00 C ATOM 138 NH1 ARG A 32 81.110 -8.656 -5.109 1.00 0.00 N ATOM 139 NH2 ARG A 32 80.102 -10.530 -4.216 1.00 0.00 N ATOM 0 H ARG A 32 77.679 -4.521 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 32 76.837 -6.822 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.587 -7.380 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.430 -5.875 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 32 79.630 -6.700 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.142 -8.267 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.398 -7.025 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.766 -7.401 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 32 81.473 -9.733 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 32 81.627 -7.787 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 80.832 -8.943 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 32 79.850 -11.091 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 32 79.818 -10.828 -5.149 1.00 0.00 H new ATOM 153 N VAL A 33 77.313 -5.533 -0.277 1.00 0.00 N ATOM 154 CA VAL A 33 77.386 -4.695 0.929 1.00 0.00 C ATOM 155 C VAL A 33 77.896 -5.500 2.140 1.00 0.00 C ATOM 156 O VAL A 33 77.274 -6.464 2.568 1.00 0.00 O ATOM 157 CB VAL A 33 76.019 -4.050 1.244 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.199 -2.665 1.883 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.130 -3.947 0.001 1.00 0.00 C ATOM 0 H VAL A 33 76.895 -6.451 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 33 78.101 -3.897 0.728 1.00 0.00 H new ATOM 0 HB VAL A 33 75.517 -4.705 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.221 -2.232 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.762 -2.763 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.742 -2.015 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.179 -3.487 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.627 -3.336 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.950 -4.944 -0.401 1.00 0.00 H new ATOM 169 N SER A 34 79.043 -5.025 2.671 1.00 0.00 N ATOM 170 CA SER A 34 79.652 -5.600 3.873 1.00 0.00 C ATOM 171 C SER A 34 79.278 -4.734 5.053 1.00 0.00 C ATOM 172 O SER A 34 78.920 -3.572 4.894 1.00 0.00 O ATOM 173 CB SER A 34 81.181 -5.558 3.741 1.00 0.00 C ATOM 174 OG SER A 34 81.884 -5.953 4.900 1.00 0.00 O ATOM 0 H SER A 34 79.563 -4.240 2.278 1.00 0.00 H new ATOM 0 HA SER A 34 79.308 -6.626 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.479 -6.203 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.482 -4.544 3.478 1.00 0.00 H new ATOM 0 HG SER A 34 82.848 -5.899 4.732 1.00 0.00 H new ATOM 180 N LEU A 35 79.416 -5.372 6.227 1.00 0.00 N ATOM 181 CA LEU A 35 79.199 -4.521 7.447 1.00 0.00 C ATOM 182 C LEU A 35 80.505 -3.953 8.057 1.00 0.00 C ATOM 183 O LEU A 35 81.560 -4.573 7.979 1.00 0.00 O ATOM 184 CB LEU A 35 78.440 -5.351 8.473 1.00 0.00 C ATOM 185 CG LEU A 35 77.029 -4.857 8.756 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.222 -4.733 7.478 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.385 -5.803 9.748 1.00 0.00 C ATOM 0 H LEU A 35 79.648 -6.354 6.373 1.00 0.00 H new ATOM 0 HA LEU A 35 78.624 -3.645 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.388 -6.382 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.004 -5.359 9.406 1.00 0.00 H new ATOM 0 HG LEU A 35 77.064 -3.856 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.219 -4.378 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.709 -4.025 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.157 -5.707 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.371 -5.467 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.352 -6.807 9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.968 -5.817 10.669 1.00 0.00 H new ATOM 199 N ASP A 36 80.365 -2.750 8.689 1.00 0.00 N ATOM 200 CA ASP A 36 81.501 -2.103 9.368 1.00 0.00 C ATOM 201 C ASP A 36 81.525 -2.497 10.850 1.00 0.00 C ATOM 202 O ASP A 36 81.261 -1.694 11.744 1.00 0.00 O ATOM 203 CB ASP A 36 81.369 -0.588 9.274 1.00 0.00 C ATOM 204 CG ASP A 36 82.545 0.160 9.980 1.00 0.00 C ATOM 205 OD1 ASP A 36 83.635 0.210 9.417 1.00 0.00 O ATOM 206 OD2 ASP A 36 82.346 0.691 11.075 1.00 0.00 O ATOM 0 H ASP A 36 79.490 -2.227 8.736 1.00 0.00 H new ATOM 0 HA ASP A 36 82.421 -2.429 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.333 -0.294 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.425 -0.280 9.724 1.00 0.00 H new ATOM 211 N VAL A 37 81.879 -3.768 11.043 1.00 0.00 N ATOM 212 CA VAL A 37 81.967 -4.284 12.408 1.00 0.00 C ATOM 213 C VAL A 37 83.448 -4.367 12.758 1.00 0.00 C ATOM 214 O VAL A 37 83.958 -3.527 13.492 1.00 0.00 O ATOM 215 CB VAL A 37 81.184 -5.610 12.550 1.00 0.00 C ATOM 216 CG1 VAL A 37 80.468 -5.702 13.912 1.00 0.00 C ATOM 217 CG2 VAL A 37 80.178 -5.770 11.416 1.00 0.00 C ATOM 0 H VAL A 37 82.101 -4.435 10.304 1.00 0.00 H new ATOM 0 HA VAL A 37 81.488 -3.624 13.131 1.00 0.00 H new ATOM 0 HB VAL A 37 81.909 -6.422 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.928 -6.647 13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.204 -5.649 14.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.765 -4.875 14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 37 79.639 -6.710 11.537 1.00 0.00 H new ATOM 0 HG22 VAL A 37 79.471 -4.941 11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 80.704 -5.774 10.461 1.00 0.00 H new ATOM 227 N ASP A 38 84.074 -5.412 12.181 1.00 0.00 N ATOM 228 CA ASP A 38 85.480 -5.722 12.466 1.00 0.00 C ATOM 229 C ASP A 38 85.787 -7.119 11.906 1.00 0.00 C ATOM 230 O ASP A 38 86.486 -7.259 10.907 1.00 0.00 O ATOM 231 CB ASP A 38 85.773 -5.611 13.979 1.00 0.00 C ATOM 232 CG ASP A 38 87.024 -6.378 14.453 1.00 0.00 C ATOM 233 OD1 ASP A 38 88.085 -6.202 13.856 1.00 0.00 O ATOM 234 OD2 ASP A 38 86.912 -7.150 15.403 1.00 0.00 O ATOM 0 H ASP A 38 83.628 -6.048 11.520 1.00 0.00 H new ATOM 0 HA ASP A 38 86.136 -4.999 11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 38 85.890 -4.558 14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 38 84.908 -5.979 14.530 1.00 0.00 H new ATOM 239 N ASN A 39 85.243 -8.122 12.632 1.00 0.00 N ATOM 240 CA ASN A 39 85.479 -9.526 12.284 1.00 0.00 C ATOM 241 C ASN A 39 84.998 -9.749 10.851 1.00 0.00 C ATOM 242 O ASN A 39 84.081 -9.070 10.405 1.00 0.00 O ATOM 243 CB ASN A 39 84.707 -10.428 13.279 1.00 0.00 C ATOM 244 CG ASN A 39 85.661 -11.269 14.144 1.00 0.00 C ATOM 245 OD1 ASN A 39 86.756 -11.631 13.730 1.00 0.00 O ATOM 246 ND2 ASN A 39 85.183 -11.555 15.369 1.00 0.00 N ATOM 0 H ASN A 39 84.648 -7.981 13.448 1.00 0.00 H new ATOM 0 HA ASN A 39 86.538 -9.776 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 84.083 -9.808 13.923 1.00 0.00 H new ATOM 0 HB3 ASN A 39 84.038 -11.089 12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 39 85.743 -12.107 16.019 1.00 0.00 H new ATOM 0 HD22 ASN A 39 84.261 -11.220 15.648 1.00 0.00 H new ATOM 253 N GLY A 40 85.663 -10.706 10.158 1.00 0.00 N ATOM 254 CA GLY A 40 85.293 -11.032 8.780 1.00 0.00 C ATOM 255 C GLY A 40 83.773 -11.175 8.626 1.00 0.00 C ATOM 256 O GLY A 40 83.082 -11.656 9.517 1.00 0.00 O ATOM 0 H GLY A 40 86.441 -11.250 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 40 85.656 -10.252 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 85.779 -11.961 8.481 1.00 0.00 H new ATOM 260 N ASN A 41 83.302 -10.671 7.471 1.00 0.00 N ATOM 261 CA ASN A 41 81.866 -10.574 7.248 1.00 0.00 C ATOM 262 C ASN A 41 81.516 -11.530 6.118 1.00 0.00 C ATOM 263 O ASN A 41 82.380 -12.017 5.394 1.00 0.00 O ATOM 264 CB ASN A 41 81.516 -9.138 6.850 1.00 0.00 C ATOM 265 CG ASN A 41 82.068 -8.095 7.840 1.00 0.00 C ATOM 266 OD1 ASN A 41 81.778 -8.349 9.130 1.00 0.00 O flip ATOM 267 ND2 ASN A 41 82.731 -7.139 7.457 1.00 0.00 N flip ATOM 0 H ASN A 41 83.884 -10.336 6.703 1.00 0.00 H new ATOM 0 HA ASN A 41 81.308 -10.831 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 41 81.913 -8.934 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 41 80.433 -9.036 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 41 82.911 -7.009 6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 41 83.103 -6.472 8.134 1.00 0.00 H new ATOM 274 N MET A 42 80.195 -11.756 6.025 1.00 0.00 N ATOM 275 CA MET A 42 79.695 -12.608 4.965 1.00 0.00 C ATOM 276 C MET A 42 79.382 -11.784 3.723 1.00 0.00 C ATOM 277 O MET A 42 79.223 -12.376 2.688 1.00 0.00 O ATOM 278 CB MET A 42 78.456 -13.383 5.420 1.00 0.00 C ATOM 279 CG MET A 42 78.830 -14.699 6.116 1.00 0.00 C ATOM 280 SD MET A 42 79.208 -14.440 7.856 1.00 0.00 S ATOM 281 CE MET A 42 77.510 -14.321 8.446 1.00 0.00 C ATOM 0 H MET A 42 79.487 -11.372 6.651 1.00 0.00 H new ATOM 0 HA MET A 42 80.472 -13.331 4.717 1.00 0.00 H new ATOM 0 HB2 MET A 42 77.871 -12.765 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 42 77.823 -13.595 4.558 1.00 0.00 H new ATOM 0 HG2 MET A 42 78.007 -15.408 6.023 1.00 0.00 H new ATOM 0 HG3 MET A 42 79.691 -15.143 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 42 77.405 -13.438 9.077 1.00 0.00 H new ATOM 0 HE2 MET A 42 76.834 -14.241 7.595 1.00 0.00 H new ATOM 0 HE3 MET A 42 77.262 -15.211 9.024 1.00 0.00 H new ATOM 291 N TYR A 43 79.302 -10.452 3.768 1.00 0.00 N ATOM 292 CA TYR A 43 79.035 -9.771 2.481 1.00 0.00 C ATOM 293 C TYR A 43 77.663 -10.159 1.850 1.00 0.00 C ATOM 294 O TYR A 43 77.489 -11.235 1.285 1.00 0.00 O ATOM 295 CB TYR A 43 80.165 -10.062 1.450 1.00 0.00 C ATOM 296 CG TYR A 43 81.026 -8.868 1.187 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.439 -7.655 0.872 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.413 -8.960 1.236 1.00 0.00 C ATOM 299 CE1 TYR A 43 81.214 -6.539 0.601 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.195 -7.844 0.967 1.00 0.00 C ATOM 301 CZ TYR A 43 82.602 -6.631 0.641 1.00 0.00 C ATOM 302 OH TYR A 43 83.399 -5.536 0.366 1.00 0.00 O ATOM 0 H TYR A 43 79.405 -9.861 4.593 1.00 0.00 H new ATOM 0 HA TYR A 43 79.004 -8.707 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 43 80.786 -10.879 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.719 -10.397 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.362 -7.577 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 43 82.883 -9.901 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.741 -5.599 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.271 -7.920 1.012 1.00 0.00 H new ATOM 0 HH TYR A 43 84.342 -5.790 0.444 1.00 0.00 H new ATOM 312 N LYS A 44 76.711 -9.216 1.957 1.00 0.00 N ATOM 313 CA LYS A 44 75.340 -9.468 1.511 1.00 0.00 C ATOM 314 C LYS A 44 75.072 -8.762 0.186 1.00 0.00 C ATOM 315 O LYS A 44 75.426 -7.609 0.001 1.00 0.00 O ATOM 316 CB LYS A 44 74.391 -8.963 2.600 1.00 0.00 C ATOM 317 CG LYS A 44 74.693 -9.631 3.949 1.00 0.00 C ATOM 318 CD LYS A 44 74.918 -11.143 3.897 1.00 0.00 C ATOM 319 CE LYS A 44 73.765 -11.895 3.242 1.00 0.00 C ATOM 320 NZ LYS A 44 74.239 -12.964 2.380 1.00 0.00 N ATOM 0 H LYS A 44 76.868 -8.285 2.344 1.00 0.00 H new ATOM 0 HA LYS A 44 75.184 -10.534 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 44 74.486 -7.881 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 44 73.360 -9.168 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 44 75.580 -9.163 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.866 -9.427 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 44 75.837 -11.349 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 44 75.060 -11.519 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 44 73.117 -12.311 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 44 73.161 -11.199 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 73.496 -13.685 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 74.474 -12.577 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 75.087 -13.397 2.798 1.00 0.00 H new ATOM 334 N SER A 45 74.425 -9.527 -0.716 1.00 0.00 N ATOM 335 CA SER A 45 74.139 -9.040 -2.065 1.00 0.00 C ATOM 336 C SER A 45 72.643 -8.743 -2.185 1.00 0.00 C ATOM 337 O SER A 45 71.805 -9.514 -1.731 1.00 0.00 O ATOM 338 CB SER A 45 74.523 -10.133 -3.061 1.00 0.00 C ATOM 339 OG SER A 45 73.955 -11.363 -2.641 1.00 0.00 O ATOM 0 H SER A 45 74.097 -10.475 -0.530 1.00 0.00 H new ATOM 0 HA SER A 45 74.704 -8.131 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 45 74.167 -9.875 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 45 75.608 -10.221 -3.123 1.00 0.00 H new ATOM 0 HG SER A 45 74.196 -12.069 -3.277 1.00 0.00 H new ATOM 345 N ILE A 46 72.377 -7.582 -2.821 1.00 0.00 N ATOM 346 CA ILE A 46 71.018 -7.067 -2.943 1.00 0.00 C ATOM 347 C ILE A 46 70.923 -6.226 -4.225 1.00 0.00 C ATOM 348 O ILE A 46 71.920 -5.739 -4.740 1.00 0.00 O ATOM 349 CB ILE A 46 70.683 -6.225 -1.695 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.772 -5.179 -1.400 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.462 -7.115 -0.460 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.381 -4.231 -0.268 1.00 0.00 C ATOM 0 H ILE A 46 73.090 -6.994 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 46 70.298 -7.883 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 46 69.755 -5.697 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.699 -5.689 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 46 71.969 -4.600 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.228 -6.490 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.634 -7.799 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.367 -7.688 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.184 -3.513 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.469 -3.699 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.210 -4.804 0.644 1.00 0.00 H new ATOM 364 N LEU A 47 69.665 -6.093 -4.698 1.00 0.00 N ATOM 365 CA LEU A 47 69.377 -5.292 -5.885 1.00 0.00 C ATOM 366 C LEU A 47 68.808 -3.935 -5.439 1.00 0.00 C ATOM 367 O LEU A 47 67.935 -3.844 -4.583 1.00 0.00 O ATOM 368 CB LEU A 47 68.392 -6.071 -6.768 1.00 0.00 C ATOM 369 CG LEU A 47 67.870 -5.282 -7.985 1.00 0.00 C ATOM 370 CD1 LEU A 47 67.387 -6.223 -9.088 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.736 -4.329 -7.580 1.00 0.00 C ATOM 0 H LEU A 47 68.847 -6.529 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 47 70.278 -5.100 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.879 -6.980 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.543 -6.380 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 47 68.702 -4.693 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 47 67.025 -5.637 -9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 47 68.212 -6.857 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 66.579 -6.847 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.387 -3.785 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 47 65.912 -4.903 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 47 67.104 -3.621 -6.837 1.00 0.00 H new ATOM 383 N VAL A 48 69.358 -2.904 -6.107 1.00 0.00 N ATOM 384 CA VAL A 48 69.039 -1.498 -5.936 1.00 0.00 C ATOM 385 C VAL A 48 68.216 -0.996 -7.143 1.00 0.00 C ATOM 386 O VAL A 48 68.509 -1.349 -8.275 1.00 0.00 O ATOM 387 CB VAL A 48 70.419 -0.795 -5.809 1.00 0.00 C ATOM 388 CG1 VAL A 48 70.854 0.040 -7.030 1.00 0.00 C ATOM 389 CG2 VAL A 48 70.509 -0.011 -4.516 1.00 0.00 C ATOM 0 H VAL A 48 70.075 -3.052 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 48 68.423 -1.293 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 48 71.148 -1.605 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.829 0.487 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 48 70.917 -0.604 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.123 0.829 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.484 0.472 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.726 0.747 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.381 -0.687 -3.671 1.00 0.00 H new ATOM 399 N THR A 49 67.190 -0.172 -6.848 1.00 0.00 N ATOM 400 CA THR A 49 66.328 0.408 -7.898 1.00 0.00 C ATOM 401 C THR A 49 66.557 1.923 -7.958 1.00 0.00 C ATOM 402 O THR A 49 66.782 2.530 -6.931 1.00 0.00 O ATOM 403 CB THR A 49 64.862 0.073 -7.552 1.00 0.00 C ATOM 404 OG1 THR A 49 64.378 0.915 -6.519 1.00 0.00 O ATOM 405 CG2 THR A 49 64.718 -1.409 -7.153 1.00 0.00 C ATOM 0 H THR A 49 66.939 0.105 -5.899 1.00 0.00 H new ATOM 0 HA THR A 49 66.566 -0.006 -8.878 1.00 0.00 H new ATOM 0 HB THR A 49 64.260 0.249 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.447 0.685 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.676 -1.622 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.036 -2.041 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.340 -1.613 -6.281 1.00 0.00 H new ATOM 413 N SER A 50 66.496 2.553 -9.142 1.00 0.00 N ATOM 414 CA SER A 50 66.667 4.024 -9.238 1.00 0.00 C ATOM 415 C SER A 50 66.241 4.859 -7.982 1.00 0.00 C ATOM 416 O SER A 50 67.065 5.554 -7.393 1.00 0.00 O ATOM 417 CB SER A 50 65.912 4.462 -10.494 1.00 0.00 C ATOM 418 OG SER A 50 64.558 4.051 -10.376 1.00 0.00 O ATOM 0 H SER A 50 66.333 2.084 -10.033 1.00 0.00 H new ATOM 0 HA SER A 50 67.735 4.233 -9.292 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.970 5.544 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.365 4.020 -11.381 1.00 0.00 H new ATOM 0 HG SER A 50 64.345 3.416 -11.091 1.00 0.00 H new ATOM 424 N GLN A 51 64.949 4.714 -7.593 1.00 0.00 N ATOM 425 CA GLN A 51 64.355 5.480 -6.479 1.00 0.00 C ATOM 426 C GLN A 51 64.679 4.954 -5.073 1.00 0.00 C ATOM 427 O GLN A 51 64.298 5.546 -4.075 1.00 0.00 O ATOM 428 CB GLN A 51 62.825 5.431 -6.607 1.00 0.00 C ATOM 429 CG GLN A 51 62.194 6.828 -6.452 1.00 0.00 C ATOM 430 CD GLN A 51 61.335 7.214 -7.665 1.00 0.00 C ATOM 431 OE1 GLN A 51 61.886 6.895 -8.853 1.00 0.00 O flip ATOM 432 NE2 GLN A 51 60.247 7.756 -7.525 1.00 0.00 N flip ATOM 0 H GLN A 51 64.299 4.068 -8.041 1.00 0.00 H new ATOM 0 HA GLN A 51 64.783 6.479 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 51 62.554 5.015 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.418 4.762 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 51 61.579 6.849 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 51 62.983 7.568 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 51 59.898 7.965 -6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 51 59.689 7.999 -8.344 1.00 0.00 H new ATOM 441 N ASP A 52 65.383 3.815 -5.056 1.00 0.00 N ATOM 442 CA ASP A 52 65.990 3.271 -3.863 1.00 0.00 C ATOM 443 C ASP A 52 67.065 4.272 -3.402 1.00 0.00 C ATOM 444 O ASP A 52 67.940 4.654 -4.175 1.00 0.00 O ATOM 445 CB ASP A 52 66.576 1.869 -4.164 1.00 0.00 C ATOM 446 CG ASP A 52 68.096 1.910 -4.431 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.811 2.145 -3.488 1.00 0.00 O ATOM 448 OD2 ASP A 52 68.574 1.772 -5.546 1.00 0.00 O ATOM 0 H ASP A 52 65.542 3.248 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 52 65.262 3.136 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.376 1.206 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.069 1.445 -5.031 1.00 0.00 H new ATOM 453 N LYS A 53 66.946 4.669 -2.135 1.00 0.00 N ATOM 454 CA LYS A 53 67.902 5.636 -1.628 1.00 0.00 C ATOM 455 C LYS A 53 68.880 4.921 -0.704 1.00 0.00 C ATOM 456 O LYS A 53 68.757 3.727 -0.461 1.00 0.00 O ATOM 457 CB LYS A 53 67.085 6.786 -1.030 1.00 0.00 C ATOM 458 CG LYS A 53 65.909 7.202 -1.934 1.00 0.00 C ATOM 459 CD LYS A 53 66.260 7.427 -3.420 1.00 0.00 C ATOM 460 CE LYS A 53 67.501 8.251 -3.650 1.00 0.00 C ATOM 461 NZ LYS A 53 67.474 8.869 -4.956 1.00 0.00 N ATOM 0 H LYS A 53 66.235 4.353 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 53 68.545 6.086 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.702 6.487 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 53 67.736 7.645 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.138 6.434 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 53 65.476 8.121 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 53 66.388 6.457 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 53 65.418 7.917 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 53 67.580 9.019 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 53 68.384 7.619 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 68.287 9.511 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 67.524 8.133 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 66.592 9.408 -5.067 1.00 0.00 H new ATOM 475 N ALA A 54 69.859 5.706 -0.215 1.00 0.00 N ATOM 476 CA ALA A 54 70.728 5.241 0.868 1.00 0.00 C ATOM 477 C ALA A 54 69.940 4.471 1.978 1.00 0.00 C ATOM 478 O ALA A 54 70.230 3.318 2.220 1.00 0.00 O ATOM 479 CB ALA A 54 71.523 6.426 1.431 1.00 0.00 C ATOM 0 H ALA A 54 70.061 6.648 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 54 71.431 4.515 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 72.170 6.080 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 54 72.132 6.864 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.833 7.177 1.816 1.00 0.00 H new ATOM 485 N PRO A 55 68.924 5.146 2.595 1.00 0.00 N ATOM 486 CA PRO A 55 68.149 4.516 3.684 1.00 0.00 C ATOM 487 C PRO A 55 67.293 3.295 3.260 1.00 0.00 C ATOM 488 O PRO A 55 66.808 2.549 4.106 1.00 0.00 O ATOM 489 CB PRO A 55 67.278 5.666 4.222 1.00 0.00 C ATOM 490 CG PRO A 55 67.210 6.716 3.111 1.00 0.00 C ATOM 491 CD PRO A 55 68.483 6.508 2.307 1.00 0.00 C ATOM 0 HA PRO A 55 68.817 4.082 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.281 5.309 4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.710 6.088 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.323 6.580 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 55 67.161 7.725 3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.297 6.641 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 55 69.246 7.233 2.590 1.00 0.00 H new ATOM 499 N ALA A 56 67.182 3.118 1.924 1.00 0.00 N ATOM 500 CA ALA A 56 66.441 1.985 1.355 1.00 0.00 C ATOM 501 C ALA A 56 67.331 0.729 1.296 1.00 0.00 C ATOM 502 O ALA A 56 66.971 -0.332 1.783 1.00 0.00 O ATOM 503 CB ALA A 56 65.961 2.338 -0.057 1.00 0.00 C ATOM 0 H ALA A 56 67.594 3.742 1.231 1.00 0.00 H new ATOM 0 HA ALA A 56 65.583 1.777 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.412 1.495 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.309 3.210 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.821 2.561 -0.689 1.00 0.00 H new ATOM 509 N VAL A 57 68.504 0.935 0.678 1.00 0.00 N ATOM 510 CA VAL A 57 69.530 -0.118 0.572 1.00 0.00 C ATOM 511 C VAL A 57 69.993 -0.610 1.931 1.00 0.00 C ATOM 512 O VAL A 57 70.420 -1.746 2.075 1.00 0.00 O ATOM 513 CB VAL A 57 70.732 0.457 -0.185 1.00 0.00 C ATOM 514 CG1 VAL A 57 71.960 -0.465 -0.239 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.266 0.718 -1.581 1.00 0.00 C ATOM 0 H VAL A 57 68.767 1.820 0.244 1.00 0.00 H new ATOM 0 HA VAL A 57 69.093 -0.967 0.047 1.00 0.00 H new ATOM 0 HB VAL A 57 71.063 1.350 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.759 0.026 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.300 -0.678 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.693 -1.398 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.087 1.131 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 69.930 -0.215 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.440 1.429 -1.562 1.00 0.00 H new ATOM 525 N ILE A 58 69.883 0.316 2.888 1.00 0.00 N ATOM 526 CA ILE A 58 70.273 -0.015 4.246 1.00 0.00 C ATOM 527 C ILE A 58 69.191 -0.875 4.901 1.00 0.00 C ATOM 528 O ILE A 58 69.503 -1.740 5.703 1.00 0.00 O ATOM 529 CB ILE A 58 70.521 1.303 4.973 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.861 1.906 4.509 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.498 1.117 6.486 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.896 3.432 4.492 1.00 0.00 C ATOM 0 H ILE A 58 69.539 1.266 2.749 1.00 0.00 H new ATOM 0 HA ILE A 58 71.186 -0.609 4.281 1.00 0.00 H new ATOM 0 HB ILE A 58 69.716 1.995 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.654 1.544 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.083 1.539 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.678 2.075 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.525 0.732 6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.275 0.410 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.875 3.770 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 71.129 3.806 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.709 3.811 5.497 1.00 0.00 H new ATOM 544 N ARG A 59 67.934 -0.610 4.511 1.00 0.00 N ATOM 545 CA ARG A 59 66.842 -1.418 5.058 1.00 0.00 C ATOM 546 C ARG A 59 66.976 -2.890 4.623 1.00 0.00 C ATOM 547 O ARG A 59 66.721 -3.810 5.393 1.00 0.00 O ATOM 548 CB ARG A 59 65.535 -0.836 4.528 1.00 0.00 C ATOM 549 CG ARG A 59 64.302 -1.538 5.093 1.00 0.00 C ATOM 550 CD ARG A 59 63.101 -1.381 4.162 1.00 0.00 C ATOM 551 NE ARG A 59 61.938 -1.158 5.000 1.00 0.00 N ATOM 552 CZ ARG A 59 60.814 -0.628 4.479 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.523 -0.770 3.188 1.00 0.00 N ATOM 554 NH2 ARG A 59 60.012 0.058 5.279 1.00 0.00 N ATOM 0 H ARG A 59 67.660 0.120 3.853 1.00 0.00 H new ATOM 0 HA ARG A 59 66.868 -1.394 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.488 0.225 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.524 -0.911 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.517 -2.597 5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.062 -1.125 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.250 -0.545 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.969 -2.273 3.550 1.00 0.00 H new ATOM 0 HE ARG A 59 61.971 -1.404 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 59 61.155 -1.287 2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.668 -0.362 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.252 0.175 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.155 0.470 4.911 1.00 0.00 H new ATOM 568 N LYS A 60 67.390 -3.021 3.350 1.00 0.00 N ATOM 569 CA LYS A 60 67.537 -4.337 2.748 1.00 0.00 C ATOM 570 C LYS A 60 68.755 -5.070 3.328 1.00 0.00 C ATOM 571 O LYS A 60 68.655 -6.209 3.766 1.00 0.00 O ATOM 572 CB LYS A 60 67.677 -4.145 1.233 1.00 0.00 C ATOM 573 CG LYS A 60 67.301 -5.423 0.490 1.00 0.00 C ATOM 574 CD LYS A 60 65.788 -5.667 0.501 1.00 0.00 C ATOM 575 CE LYS A 60 65.075 -5.041 -0.698 1.00 0.00 C ATOM 576 NZ LYS A 60 64.077 -5.967 -1.211 1.00 0.00 N ATOM 0 H LYS A 60 67.622 -2.240 2.736 1.00 0.00 H new ATOM 0 HA LYS A 60 66.664 -4.952 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.037 -3.326 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.702 -3.866 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 60 67.651 -5.360 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 60 67.809 -6.272 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.598 -6.740 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.366 -5.261 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 64.600 -4.105 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 60 65.797 -4.800 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 63.593 -5.539 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 64.542 -6.849 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 63.382 -6.176 -0.466 1.00 0.00 H new ATOM 590 N ALA A 61 69.867 -4.316 3.299 1.00 0.00 N ATOM 591 CA ALA A 61 71.175 -4.770 3.782 1.00 0.00 C ATOM 592 C ALA A 61 71.128 -5.201 5.262 1.00 0.00 C ATOM 593 O ALA A 61 71.806 -6.138 5.666 1.00 0.00 O ATOM 594 CB ALA A 61 72.171 -3.619 3.600 1.00 0.00 C ATOM 0 H ALA A 61 69.879 -3.363 2.935 1.00 0.00 H new ATOM 0 HA ALA A 61 71.481 -5.645 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.155 -3.930 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.231 -3.353 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.837 -2.755 4.174 1.00 0.00 H new ATOM 600 N MET A 62 70.287 -4.466 6.017 1.00 0.00 N ATOM 601 CA MET A 62 70.148 -4.716 7.453 1.00 0.00 C ATOM 602 C MET A 62 69.307 -5.959 7.746 1.00 0.00 C ATOM 603 O MET A 62 69.742 -6.829 8.485 1.00 0.00 O ATOM 604 CB MET A 62 69.487 -3.523 8.130 1.00 0.00 C ATOM 605 CG MET A 62 70.487 -2.408 8.466 1.00 0.00 C ATOM 606 SD MET A 62 70.293 -1.866 10.169 1.00 0.00 S ATOM 607 CE MET A 62 68.501 -1.670 10.190 1.00 0.00 C ATOM 0 H MET A 62 69.706 -3.709 5.658 1.00 0.00 H new ATOM 0 HA MET A 62 71.153 -4.876 7.843 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.709 -3.125 7.478 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.997 -3.855 9.045 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.504 -2.766 8.308 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.337 -1.564 7.792 1.00 0.00 H new ATOM 0 HE1 MET A 62 68.231 -0.861 10.869 1.00 0.00 H new ATOM 0 HE2 MET A 62 68.149 -1.433 9.186 1.00 0.00 H new ATOM 0 HE3 MET A 62 68.038 -2.597 10.528 1.00 0.00 H new ATOM 617 N ASP A 63 68.101 -5.979 7.143 1.00 0.00 N ATOM 618 CA ASP A 63 67.219 -7.155 7.225 1.00 0.00 C ATOM 619 C ASP A 63 67.977 -8.453 6.860 1.00 0.00 C ATOM 620 O ASP A 63 67.711 -9.527 7.389 1.00 0.00 O ATOM 621 CB ASP A 63 66.043 -6.927 6.262 1.00 0.00 C ATOM 622 CG ASP A 63 64.955 -8.006 6.435 1.00 0.00 C ATOM 623 OD1 ASP A 63 64.134 -7.871 7.340 1.00 0.00 O ATOM 624 OD2 ASP A 63 64.945 -8.964 5.664 1.00 0.00 O ATOM 0 H ASP A 63 67.721 -5.203 6.601 1.00 0.00 H new ATOM 0 HA ASP A 63 66.859 -7.275 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.612 -5.942 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.406 -6.936 5.234 1.00 0.00 H new ATOM 629 N LYS A 64 68.939 -8.236 5.943 1.00 0.00 N ATOM 630 CA LYS A 64 69.818 -9.293 5.466 1.00 0.00 C ATOM 631 C LYS A 64 70.798 -9.770 6.552 1.00 0.00 C ATOM 632 O LYS A 64 71.042 -10.961 6.713 1.00 0.00 O ATOM 633 CB LYS A 64 70.587 -8.747 4.246 1.00 0.00 C ATOM 634 CG LYS A 64 70.173 -9.451 2.959 1.00 0.00 C ATOM 635 CD LYS A 64 70.403 -10.958 3.081 1.00 0.00 C ATOM 636 CE LYS A 64 70.275 -11.689 1.750 1.00 0.00 C ATOM 637 NZ LYS A 64 69.583 -12.954 1.956 1.00 0.00 N ATOM 0 H LYS A 64 69.119 -7.325 5.521 1.00 0.00 H new ATOM 0 HA LYS A 64 69.219 -10.162 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.405 -7.677 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.658 -8.876 4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 64 69.122 -9.252 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.745 -9.056 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 64 71.396 -11.136 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 69.685 -11.374 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 69.727 -11.074 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 64 71.262 -11.867 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 69.495 -13.454 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 70.124 -13.541 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 68.635 -12.772 2.344 1.00 0.00 H new ATOM 651 N HIS A 65 71.328 -8.757 7.254 1.00 0.00 N ATOM 652 CA HIS A 65 72.302 -8.976 8.323 1.00 0.00 C ATOM 653 C HIS A 65 71.642 -9.251 9.684 1.00 0.00 C ATOM 654 O HIS A 65 72.353 -9.420 10.667 1.00 0.00 O ATOM 655 CB HIS A 65 73.171 -7.724 8.432 1.00 0.00 C ATOM 656 CG HIS A 65 74.358 -7.842 7.482 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.575 -7.019 6.466 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.387 -8.784 7.541 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.733 -7.406 5.914 1.00 0.00 C ATOM 660 NE2 HIS A 65 76.250 -8.485 6.541 1.00 0.00 N ATOM 0 H HIS A 65 71.095 -7.777 7.096 1.00 0.00 H new ATOM 0 HA HIS A 65 72.890 -9.859 8.071 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.584 -6.839 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.523 -7.601 9.456 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.980 -6.247 6.165 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.477 -9.595 8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 65 76.196 -6.915 5.071 1.00 0.00 H new ATOM 668 N ASN A 66 70.293 -9.287 9.701 1.00 0.00 N ATOM 669 CA ASN A 66 69.566 -9.585 10.941 1.00 0.00 C ATOM 670 C ASN A 66 69.846 -8.536 12.036 1.00 0.00 C ATOM 671 O ASN A 66 69.903 -8.859 13.218 1.00 0.00 O ATOM 672 CB ASN A 66 69.911 -11.006 11.427 1.00 0.00 C ATOM 673 CG ASN A 66 69.553 -12.052 10.364 1.00 0.00 C ATOM 674 OD1 ASN A 66 70.409 -12.749 9.832 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.238 -12.109 10.093 1.00 0.00 N ATOM 0 H ASN A 66 69.701 -9.117 8.888 1.00 0.00 H new ATOM 0 HA ASN A 66 68.498 -9.539 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 66 70.974 -11.067 11.659 1.00 0.00 H new ATOM 0 HB3 ASN A 66 69.371 -11.220 12.349 1.00 0.00 H new ATOM 0 HD21 ASN A 66 67.889 -12.769 9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 66 67.589 -11.492 10.582 1.00 0.00 H new ATOM 682 N LEU A 67 70.027 -7.285 11.558 1.00 0.00 N ATOM 683 CA LEU A 67 70.396 -6.177 12.443 1.00 0.00 C ATOM 684 C LEU A 67 69.262 -5.152 12.542 1.00 0.00 C ATOM 685 O LEU A 67 69.464 -3.944 12.488 1.00 0.00 O ATOM 686 CB LEU A 67 71.671 -5.530 11.922 1.00 0.00 C ATOM 687 CG LEU A 67 72.914 -6.343 12.280 1.00 0.00 C ATOM 688 CD1 LEU A 67 74.110 -5.689 11.643 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.201 -6.504 13.779 1.00 0.00 C ATOM 0 H LEU A 67 69.923 -7.027 10.577 1.00 0.00 H new ATOM 0 HA LEU A 67 70.572 -6.562 13.447 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.607 -5.424 10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.763 -4.526 12.336 1.00 0.00 H new ATOM 0 HG LEU A 67 72.718 -7.348 11.908 1.00 0.00 H new ATOM 0 HD11 LEU A 67 75.008 -6.256 11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.979 -5.666 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 67 74.211 -4.670 12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.105 -7.098 13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.341 -5.522 14.230 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.361 -7.007 14.258 1.00 0.00 H new ATOM 701 N GLU A 68 68.070 -5.729 12.725 1.00 0.00 N ATOM 702 CA GLU A 68 66.856 -4.927 12.839 1.00 0.00 C ATOM 703 C GLU A 68 66.732 -4.203 14.190 1.00 0.00 C ATOM 704 O GLU A 68 65.819 -3.405 14.366 1.00 0.00 O ATOM 705 CB GLU A 68 65.688 -5.888 12.680 1.00 0.00 C ATOM 706 CG GLU A 68 65.608 -6.434 11.244 1.00 0.00 C ATOM 707 CD GLU A 68 64.464 -5.757 10.473 1.00 0.00 C ATOM 708 OE1 GLU A 68 64.525 -4.546 10.269 1.00 0.00 O ATOM 709 OE2 GLU A 68 63.520 -6.449 10.094 1.00 0.00 O ATOM 0 H GLU A 68 67.924 -6.736 12.796 1.00 0.00 H new ATOM 0 HA GLU A 68 66.874 -4.148 12.076 1.00 0.00 H new ATOM 0 HB2 GLU A 68 65.797 -6.716 13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 68 64.758 -5.378 12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.553 -6.261 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.451 -7.512 11.267 1.00 0.00 H new ATOM 716 N GLU A 69 67.685 -4.507 15.099 1.00 0.00 N ATOM 717 CA GLU A 69 67.718 -3.875 16.425 1.00 0.00 C ATOM 718 C GLU A 69 67.642 -2.328 16.360 1.00 0.00 C ATOM 719 O GLU A 69 67.223 -1.680 17.312 1.00 0.00 O ATOM 720 CB GLU A 69 68.986 -4.323 17.171 1.00 0.00 C ATOM 721 CG GLU A 69 70.296 -3.732 16.624 1.00 0.00 C ATOM 722 CD GLU A 69 70.887 -4.515 15.474 1.00 0.00 C ATOM 723 OE1 GLU A 69 70.874 -5.740 15.542 1.00 0.00 O ATOM 724 OE2 GLU A 69 71.364 -3.879 14.535 1.00 0.00 O ATOM 0 H GLU A 69 68.433 -5.181 14.935 1.00 0.00 H new ATOM 0 HA GLU A 69 66.830 -4.201 16.967 1.00 0.00 H new ATOM 0 HB2 GLU A 69 68.890 -4.047 18.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 69.049 -5.410 17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.113 -2.708 16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 69 71.027 -3.684 17.431 1.00 0.00 H new ATOM 731 N GLU A 70 68.087 -1.812 15.192 1.00 0.00 N ATOM 732 CA GLU A 70 68.128 -0.371 14.946 1.00 0.00 C ATOM 733 C GLU A 70 67.381 -0.098 13.638 1.00 0.00 C ATOM 734 O GLU A 70 66.916 -1.001 12.950 1.00 0.00 O ATOM 735 CB GLU A 70 69.603 0.054 14.859 1.00 0.00 C ATOM 736 CG GLU A 70 70.374 -0.153 16.185 1.00 0.00 C ATOM 737 CD GLU A 70 71.794 -0.727 15.977 1.00 0.00 C ATOM 738 OE1 GLU A 70 72.398 -0.466 14.942 1.00 0.00 O ATOM 739 OE2 GLU A 70 72.282 -1.436 16.855 1.00 0.00 O ATOM 0 H GLU A 70 68.420 -2.379 14.412 1.00 0.00 H new ATOM 0 HA GLU A 70 67.652 0.199 15.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.093 -0.515 14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.656 1.105 14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.447 0.800 16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 70 69.807 -0.827 16.827 1.00 0.00 H new ATOM 746 N GLU A 71 67.293 1.216 13.367 1.00 0.00 N ATOM 747 CA GLU A 71 66.589 1.749 12.213 1.00 0.00 C ATOM 748 C GLU A 71 67.593 1.970 11.057 1.00 0.00 C ATOM 749 O GLU A 71 68.786 1.824 11.241 1.00 0.00 O ATOM 750 CB GLU A 71 65.944 3.050 12.714 1.00 0.00 C ATOM 751 CG GLU A 71 64.477 2.893 13.143 1.00 0.00 C ATOM 752 CD GLU A 71 64.245 1.631 13.996 1.00 0.00 C ATOM 753 OE1 GLU A 71 64.400 1.703 15.214 1.00 0.00 O ATOM 754 OE2 GLU A 71 63.916 0.587 13.430 1.00 0.00 O ATOM 0 H GLU A 71 67.716 1.935 13.955 1.00 0.00 H new ATOM 0 HA GLU A 71 65.825 1.082 11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.521 3.428 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.003 3.800 11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.171 3.772 13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 71 63.845 2.850 12.256 1.00 0.00 H new ATOM 761 N PRO A 72 67.034 2.310 9.860 1.00 0.00 N ATOM 762 CA PRO A 72 67.886 2.516 8.675 1.00 0.00 C ATOM 763 C PRO A 72 68.688 3.823 8.738 1.00 0.00 C ATOM 764 O PRO A 72 69.851 3.887 8.357 1.00 0.00 O ATOM 765 CB PRO A 72 66.881 2.640 7.519 1.00 0.00 C ATOM 766 CG PRO A 72 65.561 3.066 8.170 1.00 0.00 C ATOM 767 CD PRO A 72 65.607 2.458 9.567 1.00 0.00 C ATOM 0 HA PRO A 72 68.610 1.707 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.213 3.376 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.771 1.693 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.472 4.152 8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.704 2.698 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.118 3.104 10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.094 1.497 9.598 1.00 0.00 H new ATOM 775 N GLU A 73 67.971 4.811 9.291 1.00 0.00 N ATOM 776 CA GLU A 73 68.490 6.158 9.559 1.00 0.00 C ATOM 777 C GLU A 73 69.789 6.136 10.395 1.00 0.00 C ATOM 778 O GLU A 73 70.564 7.086 10.361 1.00 0.00 O ATOM 779 CB GLU A 73 67.406 6.935 10.321 1.00 0.00 C ATOM 780 CG GLU A 73 66.832 6.134 11.504 1.00 0.00 C ATOM 781 CD GLU A 73 66.740 6.945 12.801 1.00 0.00 C ATOM 782 OE1 GLU A 73 67.784 7.218 13.393 1.00 0.00 O ATOM 783 OE2 GLU A 73 65.631 7.280 13.213 1.00 0.00 O ATOM 0 H GLU A 73 66.997 4.694 9.569 1.00 0.00 H new ATOM 0 HA GLU A 73 68.733 6.632 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.825 7.872 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.599 7.194 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 73 65.839 5.772 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.456 5.257 11.676 1.00 0.00 H new ATOM 790 N ASP A 74 69.961 5.012 11.125 1.00 0.00 N ATOM 791 CA ASP A 74 71.117 4.857 12.008 1.00 0.00 C ATOM 792 C ASP A 74 72.292 4.174 11.283 1.00 0.00 C ATOM 793 O ASP A 74 73.066 3.468 11.917 1.00 0.00 O ATOM 794 CB ASP A 74 70.687 4.000 13.214 1.00 0.00 C ATOM 795 CG ASP A 74 71.501 4.324 14.489 1.00 0.00 C ATOM 796 OD1 ASP A 74 71.898 5.475 14.674 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.725 3.417 15.286 1.00 0.00 O ATOM 0 H ASP A 74 69.322 4.217 11.116 1.00 0.00 H new ATOM 0 HA ASP A 74 71.455 5.842 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.627 4.162 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.807 2.945 12.968 1.00 0.00 H new ATOM 802 N TYR A 75 72.369 4.403 9.954 1.00 0.00 N ATOM 803 CA TYR A 75 73.373 3.732 9.124 1.00 0.00 C ATOM 804 C TYR A 75 73.621 4.591 7.857 1.00 0.00 C ATOM 805 O TYR A 75 72.691 5.141 7.276 1.00 0.00 O ATOM 806 CB TYR A 75 72.850 2.325 8.756 1.00 0.00 C ATOM 807 CG TYR A 75 73.173 1.251 9.764 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.376 0.562 9.697 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.278 0.932 10.779 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.721 -0.373 10.659 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.601 -0.027 11.730 1.00 0.00 C ATOM 812 CZ TYR A 75 73.832 -0.673 11.678 1.00 0.00 C ATOM 813 OH TYR A 75 74.184 -1.596 12.638 1.00 0.00 O ATOM 0 H TYR A 75 71.754 5.039 9.446 1.00 0.00 H new ATOM 0 HA TYR A 75 74.317 3.621 9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.768 2.375 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.268 2.037 7.792 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.055 0.758 8.880 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.323 1.434 10.828 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.681 -0.867 10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.896 -0.272 12.511 1.00 0.00 H new ATOM 0 HH TYR A 75 73.707 -1.400 13.471 1.00 0.00 H new ATOM 823 N GLU A 76 74.924 4.672 7.487 1.00 0.00 N ATOM 824 CA GLU A 76 75.445 5.438 6.353 1.00 0.00 C ATOM 825 C GLU A 76 75.973 4.478 5.289 1.00 0.00 C ATOM 826 O GLU A 76 76.426 3.375 5.590 1.00 0.00 O ATOM 827 CB GLU A 76 76.572 6.385 6.809 1.00 0.00 C ATOM 828 CG GLU A 76 77.814 5.679 7.395 1.00 0.00 C ATOM 829 CD GLU A 76 77.760 5.693 8.923 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.666 5.554 9.445 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.795 5.846 9.567 1.00 0.00 O ATOM 0 H GLU A 76 75.659 4.183 7.997 1.00 0.00 H new ATOM 0 HA GLU A 76 74.638 6.039 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 76 76.884 6.992 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.172 7.068 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 77.860 4.651 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.720 6.178 7.052 1.00 0.00 H new ATOM 838 N LEU A 77 75.884 4.972 4.032 1.00 0.00 N ATOM 839 CA LEU A 77 76.258 4.111 2.914 1.00 0.00 C ATOM 840 C LEU A 77 77.550 4.615 2.301 1.00 0.00 C ATOM 841 O LEU A 77 77.661 5.792 1.985 1.00 0.00 O ATOM 842 CB LEU A 77 75.153 4.244 1.874 1.00 0.00 C ATOM 843 CG LEU A 77 75.155 3.115 0.843 1.00 0.00 C ATOM 844 CD1 LEU A 77 75.108 1.747 1.543 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.989 3.305 -0.136 1.00 0.00 C ATOM 0 H LEU A 77 75.573 5.912 3.785 1.00 0.00 H new ATOM 0 HA LEU A 77 76.390 3.080 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.188 4.263 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.262 5.198 1.358 1.00 0.00 H new ATOM 0 HG LEU A 77 76.081 3.147 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 77 75.110 0.955 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.980 1.638 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.201 1.676 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.994 2.498 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 77 73.047 3.291 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 77 74.096 4.261 -0.648 1.00 0.00 H new ATOM 857 N LEU A 78 78.513 3.678 2.151 1.00 0.00 N ATOM 858 CA LEU A 78 79.793 4.044 1.563 1.00 0.00 C ATOM 859 C LEU A 78 80.025 3.171 0.332 1.00 0.00 C ATOM 860 O LEU A 78 79.680 2.003 0.342 1.00 0.00 O ATOM 861 CB LEU A 78 80.937 3.867 2.584 1.00 0.00 C ATOM 862 CG LEU A 78 80.855 4.656 3.921 1.00 0.00 C ATOM 863 CD1 LEU A 78 79.905 5.858 3.927 1.00 0.00 C ATOM 864 CD2 LEU A 78 80.521 3.752 5.111 1.00 0.00 C ATOM 0 H LEU A 78 78.422 2.699 2.423 1.00 0.00 H new ATOM 0 HA LEU A 78 79.778 5.094 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.006 2.807 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.869 4.143 2.091 1.00 0.00 H new ATOM 0 HG LEU A 78 81.863 5.058 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.926 6.334 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 78 80.220 6.575 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 78 78.891 5.522 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.475 4.350 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 78 79.557 3.272 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.293 2.990 5.217 1.00 0.00 H new ATOM 876 N GLN A 79 80.602 3.771 -0.730 1.00 0.00 N ATOM 877 CA GLN A 79 80.932 2.972 -1.912 1.00 0.00 C ATOM 878 C GLN A 79 82.451 2.804 -1.972 1.00 0.00 C ATOM 879 O GLN A 79 83.182 3.735 -1.689 1.00 0.00 O ATOM 880 CB GLN A 79 80.423 3.687 -3.167 1.00 0.00 C ATOM 881 CG GLN A 79 80.309 2.696 -4.341 1.00 0.00 C ATOM 882 CD GLN A 79 81.131 3.091 -5.567 1.00 0.00 C ATOM 883 OE1 GLN A 79 80.637 3.200 -6.679 1.00 0.00 O ATOM 884 NE2 GLN A 79 82.424 3.279 -5.303 1.00 0.00 N ATOM 0 H GLN A 79 80.838 4.762 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 79 80.459 1.992 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.451 4.138 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.102 4.498 -3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 79 80.629 1.710 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.262 2.610 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 79 82.771 3.172 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 79 83.067 3.530 -6.054 1.00 0.00 H new ATOM 893 N ILE A 80 82.898 1.592 -2.345 1.00 0.00 N ATOM 894 CA ILE A 80 84.331 1.316 -2.428 1.00 0.00 C ATOM 895 C ILE A 80 84.734 1.329 -3.904 1.00 0.00 C ATOM 896 O ILE A 80 84.186 0.589 -4.726 1.00 0.00 O ATOM 897 CB ILE A 80 84.602 -0.063 -1.831 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.239 -0.142 -0.344 1.00 0.00 C ATOM 899 CG2 ILE A 80 86.046 -0.538 -2.062 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.457 -1.421 -0.030 1.00 0.00 C ATOM 0 H ILE A 80 82.296 0.806 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 80 84.903 2.065 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 80 83.943 -0.744 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.148 -0.112 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.644 0.728 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.181 -1.524 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.244 -0.594 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.739 0.166 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.214 -1.448 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.536 -1.437 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 80 84.063 -2.290 -0.286 1.00 0.00 H new ATOM 912 N LEU A 81 85.730 2.217 -4.136 1.00 0.00 N ATOM 913 CA LEU A 81 86.219 2.531 -5.476 1.00 0.00 C ATOM 914 C LEU A 81 87.752 2.429 -5.589 1.00 0.00 C ATOM 915 O LEU A 81 88.346 3.072 -6.446 1.00 0.00 O ATOM 916 CB LEU A 81 85.793 3.962 -5.853 1.00 0.00 C ATOM 917 CG LEU A 81 86.217 5.020 -4.821 1.00 0.00 C ATOM 918 CD1 LEU A 81 86.497 6.364 -5.504 1.00 0.00 C ATOM 919 CD2 LEU A 81 85.179 5.161 -3.696 1.00 0.00 C ATOM 0 H LEU A 81 86.208 2.728 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 81 85.784 1.797 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.223 4.217 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.709 3.992 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 81 87.144 4.682 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.795 7.098 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.299 6.242 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.596 6.709 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.513 5.917 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.221 5.460 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 81 85.067 4.206 -3.183 1.00 0.00 H new ATOM 931 N SER A 82 88.350 1.622 -4.691 1.00 0.00 N ATOM 932 CA SER A 82 89.814 1.493 -4.658 1.00 0.00 C ATOM 933 C SER A 82 90.171 0.661 -3.417 1.00 0.00 C ATOM 934 O SER A 82 89.310 0.331 -2.608 1.00 0.00 O ATOM 935 CB SER A 82 90.489 2.880 -4.606 1.00 0.00 C ATOM 936 OG SER A 82 91.064 3.299 -5.835 1.00 0.00 O ATOM 0 H SER A 82 87.854 1.064 -3.996 1.00 0.00 H new ATOM 0 HA SER A 82 90.174 1.002 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 82 89.751 3.618 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 82 91.266 2.864 -3.842 1.00 0.00 H new ATOM 0 HG SER A 82 90.360 3.396 -6.509 1.00 0.00 H new ATOM 942 N ASP A 83 91.490 0.369 -3.327 1.00 0.00 N ATOM 943 CA ASP A 83 92.106 -0.344 -2.195 1.00 0.00 C ATOM 944 C ASP A 83 91.461 0.014 -0.838 1.00 0.00 C ATOM 945 O ASP A 83 90.964 -0.856 -0.128 1.00 0.00 O ATOM 946 CB ASP A 83 93.636 -0.108 -2.160 1.00 0.00 C ATOM 947 CG ASP A 83 94.051 1.289 -2.673 1.00 0.00 C ATOM 948 OD1 ASP A 83 94.104 2.228 -1.881 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.321 1.423 -3.867 1.00 0.00 O ATOM 0 H ASP A 83 92.161 0.628 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 83 91.920 -1.406 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.992 -0.233 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 83 94.128 -0.870 -2.764 1.00 0.00 H new ATOM 954 N ASP A 84 91.496 1.330 -0.554 1.00 0.00 N ATOM 955 CA ASP A 84 90.984 1.841 0.725 1.00 0.00 C ATOM 956 C ASP A 84 90.138 3.115 0.540 1.00 0.00 C ATOM 957 O ASP A 84 89.806 3.782 1.513 1.00 0.00 O ATOM 958 CB ASP A 84 92.179 2.113 1.652 1.00 0.00 C ATOM 959 CG ASP A 84 93.249 3.032 1.018 1.00 0.00 C ATOM 960 OD1 ASP A 84 92.914 4.129 0.570 1.00 0.00 O ATOM 961 OD2 ASP A 84 94.413 2.634 0.976 1.00 0.00 O ATOM 0 H ASP A 84 91.866 2.044 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 84 90.326 1.093 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 84 91.818 2.569 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.641 1.164 1.926 1.00 0.00 H new ATOM 966 N ARG A 85 89.835 3.416 -0.735 1.00 0.00 N ATOM 967 CA ARG A 85 89.117 4.654 -1.027 1.00 0.00 C ATOM 968 C ARG A 85 87.614 4.359 -0.986 1.00 0.00 C ATOM 969 O ARG A 85 87.085 3.612 -1.802 1.00 0.00 O ATOM 970 CB ARG A 85 89.568 5.142 -2.404 1.00 0.00 C ATOM 971 CG ARG A 85 89.906 6.620 -2.474 1.00 0.00 C ATOM 972 CD ARG A 85 88.654 7.482 -2.449 1.00 0.00 C ATOM 973 NE ARG A 85 89.080 8.873 -2.406 1.00 0.00 N ATOM 974 CZ ARG A 85 88.362 9.735 -1.663 1.00 0.00 C ATOM 975 NH1 ARG A 85 87.305 10.328 -2.198 1.00 0.00 N ATOM 976 NH2 ARG A 85 88.714 9.984 -0.406 1.00 0.00 N ATOM 0 H ARG A 85 90.067 2.841 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 85 89.328 5.435 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.443 4.568 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.780 4.929 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.549 6.887 -1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.470 6.822 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 85 88.043 7.296 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 85 88.041 7.242 -1.580 1.00 0.00 H new ATOM 0 HE ARG A 85 89.900 9.186 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 85 87.043 10.129 -3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 85 86.753 10.983 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.529 9.522 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 85 88.169 10.638 0.156 1.00 0.00 H new ATOM 990 N LYS A 86 86.984 4.994 0.023 1.00 0.00 N ATOM 991 CA LYS A 86 85.548 4.874 0.239 1.00 0.00 C ATOM 992 C LYS A 86 84.914 6.260 0.126 1.00 0.00 C ATOM 993 O LYS A 86 85.453 7.256 0.597 1.00 0.00 O ATOM 994 CB LYS A 86 85.297 4.272 1.629 1.00 0.00 C ATOM 995 CG LYS A 86 85.119 2.750 1.577 1.00 0.00 C ATOM 996 CD LYS A 86 86.342 2.006 2.113 1.00 0.00 C ATOM 997 CE LYS A 86 86.401 2.046 3.644 1.00 0.00 C ATOM 998 NZ LYS A 86 86.044 0.749 4.205 1.00 0.00 N ATOM 0 H LYS A 86 87.459 5.594 0.697 1.00 0.00 H new ATOM 0 HA LYS A 86 85.102 4.220 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.132 4.516 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.407 4.726 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.241 2.469 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.931 2.443 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 86 86.314 0.970 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 86 87.248 2.451 1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 86 87.404 2.325 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 86 85.721 2.810 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 85.711 0.873 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 85.288 0.320 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.878 0.127 4.200 1.00 0.00 H new ATOM 1012 N LEU A 87 83.737 6.243 -0.529 1.00 0.00 N ATOM 1013 CA LEU A 87 82.938 7.436 -0.755 1.00 0.00 C ATOM 1014 C LEU A 87 81.698 7.350 0.108 1.00 0.00 C ATOM 1015 O LEU A 87 81.347 6.281 0.575 1.00 0.00 O ATOM 1016 CB LEU A 87 82.555 7.523 -2.243 1.00 0.00 C ATOM 1017 CG LEU A 87 83.269 8.717 -2.895 1.00 0.00 C ATOM 1018 CD1 LEU A 87 84.689 8.349 -3.334 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.448 9.340 -4.030 1.00 0.00 C ATOM 0 H LEU A 87 83.323 5.393 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 87 83.503 8.330 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.830 6.600 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.475 7.634 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 87 83.361 9.490 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 87 85.165 9.217 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 85.268 8.033 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 87 84.647 7.535 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 87 82.996 10.179 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 87 82.269 8.592 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 81.494 9.692 -3.638 1.00 0.00 H new ATOM 1031 N LYS A 88 81.077 8.533 0.286 1.00 0.00 N ATOM 1032 CA LYS A 88 79.864 8.662 1.085 1.00 0.00 C ATOM 1033 C LYS A 88 78.682 9.043 0.201 1.00 0.00 C ATOM 1034 O LYS A 88 78.772 9.930 -0.641 1.00 0.00 O ATOM 1035 CB LYS A 88 80.132 9.731 2.136 1.00 0.00 C ATOM 1036 CG LYS A 88 78.884 10.120 2.939 1.00 0.00 C ATOM 1037 CD LYS A 88 79.233 10.903 4.201 1.00 0.00 C ATOM 1038 CE LYS A 88 80.147 10.105 5.133 1.00 0.00 C ATOM 1039 NZ LYS A 88 80.211 10.716 6.449 1.00 0.00 N ATOM 0 H LYS A 88 81.405 9.410 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 88 79.610 7.717 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 88 80.899 9.372 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 88 80.532 10.619 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.223 10.719 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 88 78.334 9.219 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 88 79.722 11.837 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 88 78.317 11.167 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.780 9.083 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 88 81.148 10.048 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 80.837 10.156 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.584 11.683 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.258 10.747 6.864 1.00 0.00 H new ATOM 1053 N ILE A 89 77.569 8.321 0.468 1.00 0.00 N ATOM 1054 CA ILE A 89 76.336 8.543 -0.274 1.00 0.00 C ATOM 1055 C ILE A 89 75.350 9.311 0.631 1.00 0.00 C ATOM 1056 O ILE A 89 75.126 8.896 1.774 1.00 0.00 O ATOM 1057 CB ILE A 89 75.726 7.204 -0.705 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.818 6.296 -1.292 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.545 7.389 -1.665 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.299 5.220 -2.235 1.00 0.00 C ATOM 0 H ILE A 89 77.513 7.595 1.182 1.00 0.00 H new ATOM 0 HA ILE A 89 76.545 9.125 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 89 75.315 6.714 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.539 6.914 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.354 5.817 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.146 6.414 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.766 7.974 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.882 7.911 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.135 4.625 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.601 4.574 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.789 5.689 -3.076 1.00 0.00 H new ATOM 1072 N PRO A 90 74.770 10.409 0.058 1.00 0.00 N ATOM 1073 CA PRO A 90 73.777 11.238 0.748 1.00 0.00 C ATOM 1074 C PRO A 90 72.463 10.459 0.928 1.00 0.00 C ATOM 1075 O PRO A 90 72.273 9.384 0.369 1.00 0.00 O ATOM 1076 CB PRO A 90 73.590 12.470 -0.154 1.00 0.00 C ATOM 1077 CG PRO A 90 74.011 12.023 -1.547 1.00 0.00 C ATOM 1078 CD PRO A 90 75.022 10.894 -1.309 1.00 0.00 C ATOM 0 HA PRO A 90 74.095 11.527 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.554 12.808 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 90 74.200 13.305 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 90 73.156 11.673 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 90 74.459 12.844 -2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.893 10.094 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 90 76.045 11.257 -1.412 1.00 0.00 H new ATOM 1086 N GLU A 91 71.601 11.075 1.761 1.00 0.00 N ATOM 1087 CA GLU A 91 70.311 10.488 2.141 1.00 0.00 C ATOM 1088 C GLU A 91 69.443 10.082 0.930 1.00 0.00 C ATOM 1089 O GLU A 91 68.693 9.118 1.031 1.00 0.00 O ATOM 1090 CB GLU A 91 69.579 11.504 3.041 1.00 0.00 C ATOM 1091 CG GLU A 91 68.052 11.299 3.154 1.00 0.00 C ATOM 1092 CD GLU A 91 67.386 12.511 3.821 1.00 0.00 C ATOM 1093 OE1 GLU A 91 67.323 13.565 3.186 1.00 0.00 O ATOM 1094 OE2 GLU A 91 66.933 12.390 4.957 1.00 0.00 O ATOM 0 H GLU A 91 71.782 11.986 2.184 1.00 0.00 H new ATOM 0 HA GLU A 91 70.495 9.558 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.011 11.458 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.768 12.507 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.627 11.145 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 91 67.843 10.399 3.733 1.00 0.00 H new ATOM 1101 N ASN A 92 69.549 10.861 -0.174 1.00 0.00 N ATOM 1102 CA ASN A 92 68.641 10.627 -1.311 1.00 0.00 C ATOM 1103 C ASN A 92 69.411 10.571 -2.642 1.00 0.00 C ATOM 1104 O ASN A 92 68.893 10.937 -3.691 1.00 0.00 O ATOM 1105 CB ASN A 92 67.539 11.702 -1.373 1.00 0.00 C ATOM 1106 CG ASN A 92 66.116 11.113 -1.285 1.00 0.00 C ATOM 1107 OD1 ASN A 92 65.679 10.508 -2.407 1.00 0.00 O flip ATOM 1108 ND2 ASN A 92 65.455 11.214 -0.260 1.00 0.00 N flip ATOM 0 H ASN A 92 70.220 11.619 -0.296 1.00 0.00 H new ATOM 0 HA ASN A 92 68.167 9.658 -1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 92 67.684 12.410 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.637 12.262 -2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 92 65.847 11.685 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 92 64.512 10.827 -0.221 1.00 0.00 H new ATOM 1115 N ALA A 93 70.640 10.055 -2.550 1.00 0.00 N ATOM 1116 CA ALA A 93 71.386 9.819 -3.780 1.00 0.00 C ATOM 1117 C ALA A 93 70.912 8.507 -4.383 1.00 0.00 C ATOM 1118 O ALA A 93 71.070 7.454 -3.775 1.00 0.00 O ATOM 1119 CB ALA A 93 72.846 9.680 -3.398 1.00 0.00 C ATOM 0 H ALA A 93 71.116 9.805 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 93 71.243 10.630 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.441 9.502 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.184 10.596 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.964 8.842 -2.711 1.00 0.00 H new ATOM 1125 N ASN A 94 70.357 8.631 -5.613 1.00 0.00 N ATOM 1126 CA ASN A 94 69.982 7.450 -6.388 1.00 0.00 C ATOM 1127 C ASN A 94 71.202 6.542 -6.468 1.00 0.00 C ATOM 1128 O ASN A 94 72.158 6.872 -7.150 1.00 0.00 O ATOM 1129 CB ASN A 94 69.598 7.870 -7.817 1.00 0.00 C ATOM 1130 CG ASN A 94 68.284 8.662 -7.830 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.196 8.104 -7.776 1.00 0.00 O ATOM 1132 ND2 ASN A 94 68.441 9.995 -7.890 1.00 0.00 N ATOM 0 H ASN A 94 70.167 9.522 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 94 69.139 6.944 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 94 70.395 8.477 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.498 6.984 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 94 67.624 10.605 -7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 94 69.378 10.397 -7.933 1.00 0.00 H new ATOM 1139 N VAL A 95 71.127 5.427 -5.712 1.00 0.00 N ATOM 1140 CA VAL A 95 72.277 4.527 -5.613 1.00 0.00 C ATOM 1141 C VAL A 95 72.738 4.098 -7.003 1.00 0.00 C ATOM 1142 O VAL A 95 73.918 4.088 -7.259 1.00 0.00 O ATOM 1143 CB VAL A 95 71.905 3.312 -4.771 1.00 0.00 C ATOM 1144 CG1 VAL A 95 72.998 2.218 -4.798 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.593 3.723 -3.325 1.00 0.00 C ATOM 0 H VAL A 95 70.306 5.141 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 95 73.101 5.052 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 95 71.008 2.883 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 95 72.684 1.375 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.151 1.882 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 95 73.930 2.625 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.330 2.839 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.469 4.199 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.758 4.423 -3.318 1.00 0.00 H new ATOM 1155 N PHE A 96 71.795 3.792 -7.897 1.00 0.00 N ATOM 1156 CA PHE A 96 72.214 3.460 -9.270 1.00 0.00 C ATOM 1157 C PHE A 96 73.179 4.520 -9.903 1.00 0.00 C ATOM 1158 O PHE A 96 74.055 4.175 -10.688 1.00 0.00 O ATOM 1159 CB PHE A 96 70.934 3.274 -10.101 1.00 0.00 C ATOM 1160 CG PHE A 96 71.188 2.476 -11.358 1.00 0.00 C ATOM 1161 CD1 PHE A 96 71.947 2.997 -12.400 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.672 1.193 -11.485 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.236 2.240 -13.523 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.937 0.446 -12.625 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.728 0.957 -13.640 1.00 0.00 C ATOM 0 H PHE A 96 70.791 3.765 -7.717 1.00 0.00 H new ATOM 0 HA PHE A 96 72.803 2.543 -9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.180 2.770 -9.497 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.529 4.250 -10.367 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.317 4.009 -12.332 1.00 0.00 H new ATOM 0 HD2 PHE A 96 70.064 0.776 -10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 96 72.857 2.650 -14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 96 70.521 -0.546 -12.721 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.947 0.361 -14.514 1.00 0.00 H new ATOM 1175 N TYR A 97 72.967 5.792 -9.502 1.00 0.00 N ATOM 1176 CA TYR A 97 73.672 6.940 -10.097 1.00 0.00 C ATOM 1177 C TYR A 97 74.556 7.755 -9.115 1.00 0.00 C ATOM 1178 O TYR A 97 75.037 8.815 -9.505 1.00 0.00 O ATOM 1179 CB TYR A 97 72.597 7.853 -10.715 1.00 0.00 C ATOM 1180 CG TYR A 97 72.594 7.716 -12.209 1.00 0.00 C ATOM 1181 CD1 TYR A 97 73.577 8.346 -12.965 1.00 0.00 C ATOM 1182 CD2 TYR A 97 71.619 6.960 -12.851 1.00 0.00 C ATOM 1183 CE1 TYR A 97 73.587 8.227 -14.347 1.00 0.00 C ATOM 1184 CE2 TYR A 97 71.627 6.840 -14.234 1.00 0.00 C ATOM 1185 CZ TYR A 97 72.606 7.479 -14.982 1.00 0.00 C ATOM 1186 OH TYR A 97 72.597 7.367 -16.357 1.00 0.00 O ATOM 0 H TYR A 97 72.309 6.047 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 97 74.375 6.548 -10.832 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.616 7.592 -10.317 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.788 8.890 -10.438 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.338 8.932 -12.472 1.00 0.00 H new ATOM 0 HD2 TYR A 97 70.853 6.465 -12.272 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.356 8.715 -14.927 1.00 0.00 H new ATOM 0 HE2 TYR A 97 70.871 6.249 -14.728 1.00 0.00 H new ATOM 0 HH TYR A 97 71.843 6.807 -16.635 1.00 0.00 H new ATOM 1196 N ALA A 98 74.750 7.255 -7.876 1.00 0.00 N ATOM 1197 CA ALA A 98 75.468 8.072 -6.870 1.00 0.00 C ATOM 1198 C ALA A 98 76.809 7.459 -6.434 1.00 0.00 C ATOM 1199 O ALA A 98 77.429 7.907 -5.477 1.00 0.00 O ATOM 1200 CB ALA A 98 74.590 8.227 -5.641 1.00 0.00 C ATOM 0 H ALA A 98 74.439 6.338 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 98 75.684 9.032 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.111 8.827 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.659 8.721 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.369 7.244 -5.226 1.00 0.00 H new ATOM 1206 N MET A 99 77.179 6.413 -7.180 1.00 0.00 N ATOM 1207 CA MET A 99 78.330 5.579 -6.852 1.00 0.00 C ATOM 1208 C MET A 99 79.273 5.756 -8.014 1.00 0.00 C ATOM 1209 O MET A 99 78.856 5.704 -9.166 1.00 0.00 O ATOM 1210 CB MET A 99 77.904 4.101 -6.708 1.00 0.00 C ATOM 1211 CG MET A 99 76.448 3.851 -7.016 1.00 0.00 C ATOM 1212 SD MET A 99 76.189 3.729 -8.794 1.00 0.00 S ATOM 1213 CE MET A 99 75.894 1.949 -8.898 1.00 0.00 C ATOM 0 H MET A 99 76.687 6.125 -8.026 1.00 0.00 H new ATOM 0 HA MET A 99 78.791 5.860 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.516 3.491 -7.372 1.00 0.00 H new ATOM 0 HB3 MET A 99 78.112 3.771 -5.690 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.121 2.931 -6.531 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.840 4.659 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 99 76.010 1.621 -9.931 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.612 1.424 -8.268 1.00 0.00 H new ATOM 0 HE3 MET A 99 74.882 1.727 -8.558 1.00 0.00 H new ATOM 1223 N ASN A 100 80.549 5.965 -7.627 1.00 0.00 N ATOM 1224 CA ASN A 100 81.670 6.083 -8.557 1.00 0.00 C ATOM 1225 C ASN A 100 81.563 5.015 -9.652 1.00 0.00 C ATOM 1226 O ASN A 100 81.949 3.868 -9.457 1.00 0.00 O ATOM 1227 CB ASN A 100 82.989 5.867 -7.802 1.00 0.00 C ATOM 1228 CG ASN A 100 83.126 6.851 -6.650 1.00 0.00 C ATOM 1229 OD1 ASN A 100 82.584 6.414 -5.496 1.00 0.00 O flip ATOM 1230 ND2 ASN A 100 83.703 7.920 -6.800 1.00 0.00 N flip ATOM 0 H ASN A 100 80.823 6.056 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 100 81.646 7.076 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 100 83.031 4.847 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.828 5.985 -8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 100 84.084 8.170 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 100 83.803 8.561 -6.012 1.00 0.00 H new ATOM 1237 N SER A 101 80.989 5.471 -10.786 1.00 0.00 N ATOM 1238 CA SER A 101 80.649 4.556 -11.880 1.00 0.00 C ATOM 1239 C SER A 101 81.900 3.835 -12.427 1.00 0.00 C ATOM 1240 O SER A 101 81.821 2.738 -12.968 1.00 0.00 O ATOM 1241 CB SER A 101 79.966 5.365 -12.996 1.00 0.00 C ATOM 1242 OG SER A 101 79.157 4.553 -13.834 1.00 0.00 O ATOM 0 H SER A 101 80.758 6.449 -10.960 1.00 0.00 H new ATOM 0 HA SER A 101 79.975 3.786 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.352 6.148 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 101 80.726 5.861 -13.599 1.00 0.00 H new ATOM 0 HG SER A 101 78.742 5.109 -14.527 1.00 0.00 H new ATOM 1248 N THR A 102 83.036 4.529 -12.209 1.00 0.00 N ATOM 1249 CA THR A 102 84.358 4.045 -12.614 1.00 0.00 C ATOM 1250 C THR A 102 84.940 2.980 -11.652 1.00 0.00 C ATOM 1251 O THR A 102 86.134 2.704 -11.688 1.00 0.00 O ATOM 1252 CB THR A 102 85.288 5.271 -12.624 1.00 0.00 C ATOM 1253 OG1 THR A 102 86.487 4.995 -13.324 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.571 5.816 -11.210 1.00 0.00 C ATOM 0 H THR A 102 83.055 5.438 -11.748 1.00 0.00 H new ATOM 0 HA THR A 102 84.273 3.564 -13.589 1.00 0.00 H new ATOM 0 HB THR A 102 84.760 6.062 -13.156 1.00 0.00 H new ATOM 0 HG1 THR A 102 86.876 4.160 -12.990 1.00 0.00 H new ATOM 0 HG21 THR A 102 86.232 6.680 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.633 6.113 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 102 86.048 5.041 -10.610 1.00 0.00 H new ATOM 1262 N ALA A 103 84.062 2.428 -10.793 1.00 0.00 N ATOM 1263 CA ALA A 103 84.500 1.497 -9.760 1.00 0.00 C ATOM 1264 C ALA A 103 83.504 0.343 -9.697 1.00 0.00 C ATOM 1265 O ALA A 103 82.462 0.343 -10.345 1.00 0.00 O ATOM 1266 CB ALA A 103 84.606 2.251 -8.428 1.00 0.00 C ATOM 0 H ALA A 103 83.059 2.614 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 103 85.483 1.082 -9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.933 1.565 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.328 3.061 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.632 2.663 -8.165 1.00 0.00 H new ATOM 1272 N ASN A 104 83.913 -0.637 -8.870 1.00 0.00 N ATOM 1273 CA ASN A 104 83.107 -1.830 -8.650 1.00 0.00 C ATOM 1274 C ASN A 104 81.925 -1.434 -7.752 1.00 0.00 C ATOM 1275 O ASN A 104 81.988 -0.440 -7.036 1.00 0.00 O ATOM 1276 CB ASN A 104 83.972 -2.904 -7.968 1.00 0.00 C ATOM 1277 CG ASN A 104 85.415 -2.918 -8.502 1.00 0.00 C ATOM 1278 OD1 ASN A 104 85.677 -3.246 -9.652 1.00 0.00 O ATOM 1279 ND2 ASN A 104 86.322 -2.502 -7.594 1.00 0.00 N ATOM 0 H ASN A 104 84.791 -0.618 -8.351 1.00 0.00 H new ATOM 0 HA ASN A 104 82.735 -2.236 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 104 83.987 -2.726 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.520 -3.884 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 104 87.308 -2.444 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 104 86.022 -2.246 -6.653 1.00 0.00 H new ATOM 1286 N TYR A 105 80.855 -2.252 -7.837 1.00 0.00 N ATOM 1287 CA TYR A 105 79.645 -1.957 -7.070 1.00 0.00 C ATOM 1288 C TYR A 105 79.720 -2.555 -5.662 1.00 0.00 C ATOM 1289 O TYR A 105 78.836 -3.300 -5.252 1.00 0.00 O ATOM 1290 CB TYR A 105 78.440 -2.524 -7.837 1.00 0.00 C ATOM 1291 CG TYR A 105 78.290 -1.911 -9.205 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.430 -0.539 -9.391 1.00 0.00 C ATOM 1293 CD2 TYR A 105 78.025 -2.715 -10.311 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.340 0.018 -10.657 1.00 0.00 C ATOM 1295 CE2 TYR A 105 77.913 -2.155 -11.578 1.00 0.00 C ATOM 1296 CZ TYR A 105 78.080 -0.789 -11.754 1.00 0.00 C ATOM 1297 OH TYR A 105 77.981 -0.245 -13.017 1.00 0.00 O ATOM 0 H TYR A 105 80.810 -3.094 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 105 79.542 -0.878 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.551 -3.604 -7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.531 -2.348 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 105 78.611 0.099 -8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 105 77.906 -3.781 -10.183 1.00 0.00 H new ATOM 0 HE1 TYR A 105 78.473 1.082 -10.789 1.00 0.00 H new ATOM 0 HE2 TYR A 105 77.695 -2.785 -12.428 1.00 0.00 H new ATOM 0 HH TYR A 105 77.797 -0.956 -13.666 1.00 0.00 H new ATOM 1307 N ASP A 106 80.807 -2.174 -4.946 1.00 0.00 N ATOM 1308 CA ASP A 106 81.017 -2.699 -3.599 1.00 0.00 C ATOM 1309 C ASP A 106 80.662 -1.565 -2.629 1.00 0.00 C ATOM 1310 O ASP A 106 80.885 -0.403 -2.934 1.00 0.00 O ATOM 1311 CB ASP A 106 82.492 -3.101 -3.457 1.00 0.00 C ATOM 1312 CG ASP A 106 83.057 -3.933 -4.628 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.295 -4.579 -5.350 1.00 0.00 O ATOM 1314 OD2 ASP A 106 84.275 -3.916 -4.804 1.00 0.00 O ATOM 0 H ASP A 106 81.523 -1.526 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 106 80.403 -3.576 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 106 83.091 -2.196 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.611 -3.671 -2.536 1.00 0.00 H new ATOM 1319 N PHE A 107 80.039 -1.947 -1.495 1.00 0.00 N ATOM 1320 CA PHE A 107 79.402 -0.978 -0.598 1.00 0.00 C ATOM 1321 C PHE A 107 79.693 -1.419 0.845 1.00 0.00 C ATOM 1322 O PHE A 107 79.834 -2.598 1.132 1.00 0.00 O ATOM 1323 CB PHE A 107 77.878 -0.895 -0.877 1.00 0.00 C ATOM 1324 CG PHE A 107 77.557 -0.147 -2.141 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.806 -0.734 -3.375 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.014 1.135 -2.101 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.588 -0.042 -4.549 1.00 0.00 C ATOM 1328 CE2 PHE A 107 76.749 1.812 -3.282 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.061 1.227 -4.494 1.00 0.00 C ATOM 0 H PHE A 107 79.967 -2.916 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 107 79.803 0.022 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.470 -1.904 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.385 -0.407 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 107 78.176 -1.748 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 107 76.799 1.602 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.829 -0.492 -5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.300 2.794 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 107 76.889 1.773 -5.410 1.00 0.00 H new ATOM 1339 N VAL A 108 79.807 -0.405 1.724 1.00 0.00 N ATOM 1340 CA VAL A 108 80.057 -0.595 3.144 1.00 0.00 C ATOM 1341 C VAL A 108 78.881 0.042 3.885 1.00 0.00 C ATOM 1342 O VAL A 108 78.515 1.188 3.654 1.00 0.00 O ATOM 1343 CB VAL A 108 81.368 0.096 3.577 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.966 -0.559 4.827 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.414 0.128 2.468 1.00 0.00 C ATOM 0 H VAL A 108 79.725 0.575 1.453 1.00 0.00 H new ATOM 0 HA VAL A 108 80.155 -1.657 3.370 1.00 0.00 H new ATOM 0 HB VAL A 108 81.094 1.125 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.888 -0.046 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 108 81.254 -0.491 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 108 82.182 -1.607 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.314 0.626 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.659 -0.891 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.019 0.673 1.611 1.00 0.00 H new ATOM 1355 N LEU A 109 78.332 -0.778 4.781 1.00 0.00 N ATOM 1356 CA LEU A 109 77.201 -0.378 5.600 1.00 0.00 C ATOM 1357 C LEU A 109 77.731 -0.122 7.003 1.00 0.00 C ATOM 1358 O LEU A 109 78.115 -1.046 7.714 1.00 0.00 O ATOM 1359 CB LEU A 109 76.229 -1.552 5.624 1.00 0.00 C ATOM 1360 CG LEU A 109 75.000 -1.307 6.522 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.222 -0.109 5.982 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.097 -2.544 6.663 1.00 0.00 C ATOM 0 H LEU A 109 78.659 -1.728 4.954 1.00 0.00 H new ATOM 0 HA LEU A 109 76.703 0.514 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.893 -1.757 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.753 -2.442 5.972 1.00 0.00 H new ATOM 0 HG LEU A 109 75.357 -1.094 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.350 0.072 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.863 0.773 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.897 -0.316 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.251 -2.305 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.732 -2.842 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.667 -3.363 7.102 1.00 0.00 H new ATOM 1374 N LYS A 110 77.721 1.176 7.350 1.00 0.00 N ATOM 1375 CA LYS A 110 78.279 1.595 8.626 1.00 0.00 C ATOM 1376 C LYS A 110 77.190 2.229 9.469 1.00 0.00 C ATOM 1377 O LYS A 110 76.228 2.739 8.925 1.00 0.00 O ATOM 1378 CB LYS A 110 79.387 2.610 8.343 1.00 0.00 C ATOM 1379 CG LYS A 110 80.598 2.338 9.199 1.00 0.00 C ATOM 1380 CD LYS A 110 81.324 3.550 9.741 1.00 0.00 C ATOM 1381 CE LYS A 110 82.161 4.235 8.668 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.346 4.807 9.286 1.00 0.00 N ATOM 0 H LYS A 110 77.341 1.928 6.775 1.00 0.00 H new ATOM 0 HA LYS A 110 78.684 0.742 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.664 2.567 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.020 3.618 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 110 80.289 1.720 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 110 81.305 1.749 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 110 80.599 4.258 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.968 3.249 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 110 82.447 3.518 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.579 5.015 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 83.924 5.277 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.061 5.502 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 83.902 4.052 9.735 1.00 0.00 H new ATOM 1396 N LYS A 111 77.377 2.172 10.802 1.00 0.00 N ATOM 1397 CA LYS A 111 76.376 2.743 11.708 1.00 0.00 C ATOM 1398 C LYS A 111 76.636 4.237 11.880 1.00 0.00 C ATOM 1399 O LYS A 111 77.787 4.659 11.929 1.00 0.00 O ATOM 1400 CB LYS A 111 76.490 2.041 13.057 1.00 0.00 C ATOM 1401 CG LYS A 111 75.140 1.905 13.766 1.00 0.00 C ATOM 1402 CD LYS A 111 75.279 0.998 14.993 1.00 0.00 C ATOM 1403 CE LYS A 111 74.666 1.559 16.273 1.00 0.00 C ATOM 1404 NZ LYS A 111 74.663 0.541 17.309 1.00 0.00 N ATOM 0 H LYS A 111 78.186 1.750 11.259 1.00 0.00 H new ATOM 0 HA LYS A 111 75.375 2.604 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.921 1.051 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.177 2.597 13.695 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.779 2.888 14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.400 1.492 13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 111 74.812 0.038 14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.338 0.805 15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.233 2.428 16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 111 73.648 1.897 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 74.154 0.896 18.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.191 -0.315 16.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.642 0.312 17.573 1.00 0.00 H new ATOM 1418 N ARG A 112 75.515 4.999 11.944 1.00 0.00 N ATOM 1419 CA ARG A 112 75.544 6.459 12.062 1.00 0.00 C ATOM 1420 C ARG A 112 75.773 6.870 13.531 1.00 0.00 C ATOM 1421 O ARG A 112 75.030 7.655 14.112 1.00 0.00 O ATOM 1422 CB ARG A 112 74.226 7.041 11.507 1.00 0.00 C ATOM 1423 CG ARG A 112 74.187 8.576 11.586 1.00 0.00 C ATOM 1424 CD ARG A 112 74.055 9.302 10.235 1.00 0.00 C ATOM 1425 NE ARG A 112 74.560 10.676 10.345 1.00 0.00 N ATOM 1426 CZ ARG A 112 75.847 10.849 10.737 1.00 0.00 C ATOM 1427 NH1 ARG A 112 76.844 10.612 9.890 1.00 0.00 N ATOM 1428 NH2 ARG A 112 76.117 11.216 11.988 1.00 0.00 N ATOM 0 H ARG A 112 74.573 4.609 11.914 1.00 0.00 H new ATOM 0 HA ARG A 112 76.371 6.862 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 112 74.102 6.730 10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 112 73.386 6.629 12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 112 73.351 8.869 12.220 1.00 0.00 H new ATOM 0 HG3 ARG A 112 75.097 8.921 12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 112 74.612 8.763 9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 112 73.011 9.315 9.921 1.00 0.00 H new ATOM 0 HE ARG A 112 73.962 11.475 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 112 76.643 10.299 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 112 77.810 10.744 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 112 75.356 11.367 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 112 77.084 11.346 12.284 1.00 0.00 H new ATOM 1442 N THR A 113 76.859 6.295 14.066 1.00 0.00 N ATOM 1443 CA THR A 113 77.283 6.543 15.435 1.00 0.00 C ATOM 1444 C THR A 113 78.641 7.224 15.395 1.00 0.00 C ATOM 1445 O THR A 113 79.430 7.046 14.470 1.00 0.00 O ATOM 1446 CB THR A 113 77.380 5.192 16.152 1.00 0.00 C ATOM 1447 OG1 THR A 113 76.129 4.552 16.113 1.00 0.00 O ATOM 1448 CG2 THR A 113 77.747 5.357 17.627 1.00 0.00 C ATOM 0 H THR A 113 77.461 5.648 13.557 1.00 0.00 H new ATOM 0 HA THR A 113 76.578 7.183 15.965 1.00 0.00 H new ATOM 0 HB THR A 113 78.152 4.614 15.644 1.00 0.00 H new ATOM 0 HG1 THR A 113 75.740 4.538 17.013 1.00 0.00 H new ATOM 0 HG21 THR A 113 77.806 4.376 18.099 1.00 0.00 H new ATOM 0 HG22 THR A 113 78.712 5.857 17.708 1.00 0.00 H new ATOM 0 HG23 THR A 113 76.985 5.955 18.127 1.00 0.00 H new ATOM 1456 N PHE A 114 78.854 8.016 16.467 1.00 0.00 N ATOM 1457 CA PHE A 114 80.105 8.748 16.575 1.00 0.00 C ATOM 1458 C PHE A 114 80.285 9.218 18.026 1.00 0.00 C ATOM 1459 O PHE A 114 79.514 10.028 18.532 1.00 0.00 O ATOM 1460 CB PHE A 114 80.042 9.946 15.616 1.00 0.00 C ATOM 1461 CG PHE A 114 81.406 10.539 15.395 1.00 0.00 C ATOM 1462 CD1 PHE A 114 82.277 9.959 14.481 1.00 0.00 C ATOM 1463 CD2 PHE A 114 81.805 11.666 16.100 1.00 0.00 C ATOM 1464 CE1 PHE A 114 83.536 10.499 14.273 1.00 0.00 C ATOM 1465 CE2 PHE A 114 83.066 12.208 15.896 1.00 0.00 C ATOM 1466 CZ PHE A 114 83.934 11.627 14.980 1.00 0.00 C ATOM 0 H PHE A 114 78.197 8.154 17.235 1.00 0.00 H new ATOM 0 HA PHE A 114 80.954 8.118 16.309 1.00 0.00 H new ATOM 0 HB2 PHE A 114 79.621 9.629 14.662 1.00 0.00 H new ATOM 0 HB3 PHE A 114 79.374 10.705 16.022 1.00 0.00 H new ATOM 0 HD1 PHE A 114 81.971 9.082 13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 114 81.132 12.123 16.810 1.00 0.00 H new ATOM 0 HE1 PHE A 114 84.208 10.043 13.561 1.00 0.00 H new ATOM 0 HE2 PHE A 114 83.373 13.083 16.450 1.00 0.00 H new ATOM 0 HZ PHE A 114 84.914 12.050 14.818 1.00 0.00 H new ATOM 1476 N THR A 115 81.355 8.677 18.652 1.00 0.00 N ATOM 1477 CA THR A 115 81.703 9.069 20.020 1.00 0.00 C ATOM 1478 C THR A 115 82.492 10.404 20.015 1.00 0.00 C ATOM 1479 O THR A 115 82.722 10.951 18.954 1.00 0.00 O ATOM 1480 CB THR A 115 82.495 7.909 20.662 1.00 0.00 C ATOM 1481 OG1 THR A 115 81.735 6.715 20.612 1.00 0.00 O ATOM 1482 CG2 THR A 115 82.836 8.147 22.142 1.00 0.00 C ATOM 1483 OXT THR A 115 82.847 10.844 21.111 1.00 0.00 O ATOM 0 H THR A 115 81.975 7.983 18.235 1.00 0.00 H new ATOM 0 HA THR A 115 80.808 9.249 20.615 1.00 0.00 H new ATOM 0 HB THR A 115 83.420 7.839 20.090 1.00 0.00 H new ATOM 0 HG1 THR A 115 82.246 5.985 21.020 1.00 0.00 H new ATOM 0 HG21 THR A 115 83.392 7.293 22.529 1.00 0.00 H new ATOM 0 HG22 THR A 115 83.443 9.048 22.235 1.00 0.00 H new ATOM 0 HG23 THR A 115 81.915 8.269 22.712 1.00 0.00 H new TER 1491 THR A 115