USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1272 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: B 22 TYR OH : rot 110:sc= 0.224 USER MOD Set 1.2: B 52 GLN :FLIP amide:sc= -6.63! C(o=-7.3!,f=-6.4!) USER MOD Set 2.1: A 22 TYR OH : rot 131:sc= -0.475 USER MOD Set 2.2: A 52 GLN : amide:sc= -2.41 K(o=-2.9,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 0.395 USER MOD Single : A 6 GLN : amide:sc= -0.0265 K(o=-0.026,f=-2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -107:sc= -2.63! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 LYS NZ :NH3+ 125:sc= -0.163 (180deg=-0.884) USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= -0.993 (180deg=-2.9!) USER MOD Single : A 27 MET CE :methyl 149:sc= 0 (180deg=-0.404) USER MOD Single : A 30 MET CE :methyl -158:sc= -1.03 (180deg=-3.35) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0509 (180deg=-0.666) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.354 USER MOD Single : A 53 TYR OH : rot 141:sc= -2.33! USER MOD Single : A 56 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.6!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 79:sc= 0.49 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 62 HIS : no HE2:sc= -1.32! C(o=-1.3!,f=-6.6!) USER MOD Single : A 63 ASN : amide:sc= -1.78! C(o=-1.8!,f=-5.8!) USER MOD Single : A 65 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -4.38! C(o=-4.4!,f=-5!) USER MOD Single : A 75 THR OG1 : rot 146:sc= 0.28 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 CYS SG : rot -30:sc= -0.869! USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 180:sc= -7.15! USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 15 LYS NZ :NH3+ 154:sc= -0.213 (180deg=-1.22!) USER MOD Single : B 19 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.418) USER MOD Single : B 27 MET CE :methyl -148:sc= -0.266 (180deg=-1.82) USER MOD Single : B 30 MET CE :methyl 177:sc= -0.548 (180deg=-0.578) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0607) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.106 F(o=-2.1!,f=-0.11) USER MOD Single : B 45 SER OG : rot 180:sc= -0.749! USER MOD Single : B 53 TYR OH : rot 180:sc= -0.104 USER MOD Single : B 56 ASN : amide:sc= -2.05! C(o=-2!,f=-4.7!) USER MOD Single : B 58 TYR OH : rot 23:sc= -1.15! USER MOD Single : B 59 SER OG : rot 75:sc= 0.84 USER MOD Single : B 61 GLN :FLIP amide:sc= 0.343 F(o=-4.5!,f=0.34) USER MOD Single : B 62 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-6!) USER MOD Single : B 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.0028) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : B 75 THR OG1 : rot 180:sc= 0.209 USER MOD Single : B 76 THR OG1 : rot 180:sc= -0.0125! USER MOD Single : B 78 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 79 CYS SG : rot 180:sc= -0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.350 18.146 28.297 1.00 6.58 N ATOM 2 CA GLY A 1 45.715 17.517 28.584 1.00 5.97 C ATOM 3 C GLY A 1 46.694 18.236 29.445 1.00 5.09 C ATOM 4 O GLY A 1 47.558 17.637 30.054 1.00 5.27 O ATOM 0 H1 GLY A 1 43.798 17.513 27.684 1.00 6.58 H new ATOM 0 H2 GLY A 1 43.840 18.293 29.192 1.00 6.58 H new ATOM 0 H3 GLY A 1 44.483 19.061 27.820 1.00 6.58 H new ATOM 0 HA2 GLY A 1 45.535 16.543 29.039 1.00 5.97 H new ATOM 0 HA3 GLY A 1 46.198 17.336 27.624 1.00 5.97 H new ATOM 10 N SER A 2 46.588 19.535 29.522 1.00 4.50 N ATOM 11 CA SER A 2 47.538 20.309 30.368 1.00 3.95 C ATOM 12 C SER A 2 47.122 21.795 30.356 1.00 3.15 C ATOM 13 O SER A 2 46.384 22.209 29.484 1.00 3.20 O ATOM 14 CB SER A 2 48.961 20.136 29.806 1.00 4.48 C ATOM 15 OG SER A 2 49.720 19.333 30.701 1.00 5.04 O ATOM 0 H SER A 2 45.885 20.092 29.036 1.00 4.50 H new ATOM 0 HA SER A 2 47.520 19.948 31.396 1.00 3.95 H new ATOM 0 HB2 SER A 2 48.922 19.669 28.822 1.00 4.48 H new ATOM 0 HB3 SER A 2 49.436 21.109 29.679 1.00 4.48 H new ATOM 0 HG SER A 2 49.277 18.467 30.819 1.00 5.04 H new ATOM 21 N PRO A 3 47.608 22.562 31.313 1.00 2.92 N ATOM 22 CA PRO A 3 47.279 23.999 31.384 1.00 2.64 C ATOM 23 C PRO A 3 47.679 24.685 30.070 1.00 2.05 C ATOM 24 O PRO A 3 46.960 25.513 29.546 1.00 2.43 O ATOM 25 CB PRO A 3 48.101 24.537 32.582 1.00 3.31 C ATOM 26 CG PRO A 3 48.939 23.350 33.143 1.00 3.84 C ATOM 27 CD PRO A 3 48.508 22.077 32.382 1.00 3.57 C ATOM 0 HA PRO A 3 46.214 24.188 31.521 1.00 2.64 H new ATOM 0 HB2 PRO A 3 48.753 25.351 32.265 1.00 3.31 H new ATOM 0 HB3 PRO A 3 47.441 24.938 33.351 1.00 3.31 H new ATOM 0 HG2 PRO A 3 50.005 23.535 33.008 1.00 3.84 H new ATOM 0 HG3 PRO A 3 48.769 23.233 34.213 1.00 3.84 H new ATOM 0 HD2 PRO A 3 49.369 21.554 31.967 1.00 3.57 H new ATOM 0 HD3 PRO A 3 47.997 21.376 33.042 1.00 3.57 H new ATOM 35 N LEU A 4 48.822 24.344 29.539 1.00 1.82 N ATOM 36 CA LEU A 4 49.281 24.967 28.261 1.00 1.56 C ATOM 37 C LEU A 4 48.881 24.065 27.088 1.00 1.26 C ATOM 38 O LEU A 4 48.813 24.499 25.955 1.00 1.39 O ATOM 39 CB LEU A 4 50.811 25.129 28.286 1.00 2.02 C ATOM 40 CG LEU A 4 51.475 23.880 28.921 1.00 2.71 C ATOM 41 CD1 LEU A 4 52.844 23.627 28.274 1.00 3.37 C ATOM 42 CD2 LEU A 4 51.667 24.092 30.433 1.00 3.27 C ATOM 0 H LEU A 4 49.462 23.657 29.937 1.00 1.82 H new ATOM 0 HA LEU A 4 48.817 25.947 28.145 1.00 1.56 H new ATOM 0 HB2 LEU A 4 51.185 25.272 27.272 1.00 2.02 H new ATOM 0 HB3 LEU A 4 51.080 26.020 28.853 1.00 2.02 H new ATOM 0 HG LEU A 4 50.826 23.021 28.754 1.00 2.71 H new ATOM 0 HD11 LEU A 4 53.303 22.748 28.726 1.00 3.37 H new ATOM 0 HD12 LEU A 4 52.716 23.460 27.205 1.00 3.37 H new ATOM 0 HD13 LEU A 4 53.486 24.493 28.431 1.00 3.37 H new ATOM 0 HD21 LEU A 4 52.134 23.208 30.868 1.00 3.27 H new ATOM 0 HD22 LEU A 4 52.305 24.959 30.601 1.00 3.27 H new ATOM 0 HD23 LEU A 4 50.698 24.259 30.903 1.00 3.27 H new ATOM 54 N GLY A 5 48.620 22.815 27.352 1.00 1.15 N ATOM 55 CA GLY A 5 48.229 21.886 26.253 1.00 1.08 C ATOM 56 C GLY A 5 46.919 22.360 25.621 1.00 0.85 C ATOM 57 O GLY A 5 46.567 21.962 24.528 1.00 0.91 O ATOM 0 H GLY A 5 48.660 22.396 28.281 1.00 1.15 H new ATOM 0 HA2 GLY A 5 49.015 21.848 25.499 1.00 1.08 H new ATOM 0 HA3 GLY A 5 48.111 20.875 26.643 1.00 1.08 H new ATOM 61 N GLN A 6 46.192 23.206 26.298 1.00 0.75 N ATOM 62 CA GLN A 6 44.906 23.701 25.732 1.00 0.73 C ATOM 63 C GLN A 6 45.190 24.660 24.574 1.00 0.58 C ATOM 64 O GLN A 6 44.355 24.877 23.718 1.00 0.62 O ATOM 65 CB GLN A 6 44.119 24.436 26.818 1.00 0.91 C ATOM 66 CG GLN A 6 42.780 24.906 26.247 1.00 1.13 C ATOM 67 CD GLN A 6 41.900 25.437 27.381 1.00 1.99 C ATOM 68 OE1 GLN A 6 42.177 25.201 28.540 1.00 2.72 O ATOM 69 NE2 GLN A 6 40.844 26.147 27.094 1.00 2.62 N ATOM 0 H GLN A 6 46.433 23.575 27.218 1.00 0.75 H new ATOM 0 HA GLN A 6 44.323 22.855 25.368 1.00 0.73 H new ATOM 0 HB2 GLN A 6 43.952 23.777 27.670 1.00 0.91 H new ATOM 0 HB3 GLN A 6 44.691 25.289 27.182 1.00 0.91 H new ATOM 0 HG2 GLN A 6 42.943 25.686 25.503 1.00 1.13 H new ATOM 0 HG3 GLN A 6 42.279 24.081 25.739 1.00 1.13 H new ATOM 0 HE21 GLN A 6 40.612 26.345 26.121 1.00 2.62 H new ATOM 0 HE22 GLN A 6 40.251 26.504 27.843 1.00 2.62 H new ATOM 78 N ASP A 7 46.359 25.236 24.540 1.00 0.55 N ATOM 79 CA ASP A 7 46.692 26.179 23.440 1.00 0.53 C ATOM 80 C ASP A 7 46.530 25.470 22.095 1.00 0.43 C ATOM 81 O ASP A 7 45.916 25.984 21.181 1.00 0.48 O ATOM 82 CB ASP A 7 48.137 26.648 23.602 1.00 0.67 C ATOM 83 CG ASP A 7 48.254 27.519 24.854 1.00 1.37 C ATOM 84 OD1 ASP A 7 47.874 28.676 24.785 1.00 1.94 O ATOM 85 OD2 ASP A 7 48.722 27.014 25.861 1.00 2.11 O ATOM 0 H ASP A 7 47.098 25.093 25.228 1.00 0.55 H new ATOM 0 HA ASP A 7 46.023 27.039 23.477 1.00 0.53 H new ATOM 0 HB2 ASP A 7 48.803 25.789 23.681 1.00 0.67 H new ATOM 0 HB3 ASP A 7 48.448 27.213 22.723 1.00 0.67 H new ATOM 90 N VAL A 8 47.071 24.292 21.968 1.00 0.38 N ATOM 91 CA VAL A 8 46.943 23.548 20.683 1.00 0.43 C ATOM 92 C VAL A 8 45.473 23.532 20.259 1.00 0.40 C ATOM 93 O VAL A 8 45.144 23.737 19.108 1.00 0.55 O ATOM 94 CB VAL A 8 47.436 22.113 20.871 1.00 0.52 C ATOM 95 CG1 VAL A 8 47.585 21.441 19.504 1.00 1.02 C ATOM 96 CG2 VAL A 8 48.792 22.130 21.581 1.00 1.23 C ATOM 0 H VAL A 8 47.597 23.811 22.698 1.00 0.38 H new ATOM 0 HA VAL A 8 47.543 24.036 19.915 1.00 0.43 H new ATOM 0 HB VAL A 8 46.717 21.557 21.472 1.00 0.52 H new ATOM 0 HG11 VAL A 8 47.936 20.418 19.638 1.00 1.02 H new ATOM 0 HG12 VAL A 8 46.620 21.430 18.997 1.00 1.02 H new ATOM 0 HG13 VAL A 8 48.305 21.996 18.902 1.00 1.02 H new ATOM 0 HG21 VAL A 8 49.145 21.108 21.716 1.00 1.23 H new ATOM 0 HG22 VAL A 8 49.511 22.686 20.979 1.00 1.23 H new ATOM 0 HG23 VAL A 8 48.687 22.609 22.555 1.00 1.23 H new ATOM 106 N PHE A 9 44.586 23.297 21.187 1.00 0.27 N ATOM 107 CA PHE A 9 43.136 23.275 20.847 1.00 0.25 C ATOM 108 C PHE A 9 42.787 24.537 20.059 1.00 0.25 C ATOM 109 O PHE A 9 42.105 24.484 19.054 1.00 0.36 O ATOM 110 CB PHE A 9 42.318 23.232 22.138 1.00 0.23 C ATOM 111 CG PHE A 9 40.884 22.897 21.816 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.023 23.896 21.351 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.413 21.589 21.984 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.692 23.588 21.053 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.081 21.282 21.685 1.00 0.19 C ATOM 116 CZ PHE A 9 38.221 22.282 21.219 1.00 0.20 C ATOM 0 H PHE A 9 44.804 23.119 22.167 1.00 0.27 H new ATOM 0 HA PHE A 9 42.909 22.396 20.244 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.732 22.488 22.818 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.372 24.194 22.647 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.386 24.905 21.222 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.078 20.818 22.344 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.027 24.360 20.694 1.00 0.21 H new ATOM 0 HE2 PHE A 9 38.717 20.273 21.814 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.193 22.045 20.987 1.00 0.20 H new ATOM 126 N LEU A 10 43.256 25.672 20.500 1.00 0.21 N ATOM 127 CA LEU A 10 42.957 26.930 19.766 1.00 0.21 C ATOM 128 C LEU A 10 43.676 26.894 18.419 1.00 0.22 C ATOM 129 O LEU A 10 43.226 27.467 17.446 1.00 0.27 O ATOM 130 CB LEU A 10 43.445 28.132 20.578 1.00 0.24 C ATOM 131 CG LEU A 10 42.795 28.117 21.969 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.549 29.072 22.891 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.328 28.564 21.879 1.00 0.28 C ATOM 0 H LEU A 10 43.832 25.781 21.335 1.00 0.21 H new ATOM 0 HA LEU A 10 41.882 27.021 19.612 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.530 28.102 20.673 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.196 29.058 20.060 1.00 0.24 H new ATOM 0 HG LEU A 10 42.836 27.102 22.364 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.089 29.063 23.879 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.589 28.755 22.972 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.508 30.081 22.481 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.881 28.548 22.873 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.280 29.576 21.476 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.781 27.886 21.224 1.00 0.28 H new ATOM 145 N ASP A 11 44.789 26.213 18.350 1.00 0.21 N ATOM 146 CA ASP A 11 45.528 26.130 17.062 1.00 0.23 C ATOM 147 C ASP A 11 44.623 25.468 16.022 1.00 0.20 C ATOM 148 O ASP A 11 44.330 26.036 14.989 1.00 0.29 O ATOM 149 CB ASP A 11 46.801 25.298 17.252 1.00 0.27 C ATOM 150 CG ASP A 11 47.758 25.548 16.083 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.414 26.337 15.219 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.818 24.945 16.074 1.00 1.92 O ATOM 0 H ASP A 11 45.216 25.712 19.130 1.00 0.21 H new ATOM 0 HA ASP A 11 45.808 27.128 16.726 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.283 25.563 18.193 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.550 24.239 17.309 1.00 0.27 H new ATOM 157 N TYR A 12 44.163 24.273 16.293 1.00 0.14 N ATOM 158 CA TYR A 12 43.264 23.590 15.323 1.00 0.12 C ATOM 159 C TYR A 12 42.123 24.540 14.967 1.00 0.11 C ATOM 160 O TYR A 12 41.834 24.790 13.815 1.00 0.15 O ATOM 161 CB TYR A 12 42.684 22.320 15.964 1.00 0.12 C ATOM 162 CG TYR A 12 43.791 21.308 16.193 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.508 20.792 15.106 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.098 20.884 17.493 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.527 19.857 15.318 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.118 19.948 17.704 1.00 0.27 C ATOM 167 CZ TYR A 12 45.832 19.435 16.616 1.00 0.30 C ATOM 168 OH TYR A 12 46.837 18.513 16.824 1.00 0.37 O ATOM 0 H TYR A 12 44.372 23.745 17.141 1.00 0.14 H new ATOM 0 HA TYR A 12 43.822 23.317 14.427 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.203 22.567 16.910 1.00 0.12 H new ATOM 0 HB3 TYR A 12 41.917 21.893 15.318 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.274 21.116 14.103 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.547 21.280 18.333 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.079 19.461 14.478 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.353 19.622 18.706 1.00 0.27 H new ATOM 0 HH TYR A 12 46.920 18.330 17.783 1.00 0.37 H new ATOM 178 N CYS A 13 41.485 25.071 15.965 1.00 0.12 N ATOM 179 CA CYS A 13 40.358 26.022 15.740 1.00 0.15 C ATOM 180 C CYS A 13 40.727 27.014 14.635 1.00 0.16 C ATOM 181 O CYS A 13 39.961 27.259 13.724 1.00 0.19 O ATOM 182 CB CYS A 13 40.086 26.785 17.039 1.00 0.19 C ATOM 183 SG CYS A 13 38.511 27.664 16.914 1.00 1.38 S ATOM 0 H CYS A 13 41.697 24.886 16.945 1.00 0.12 H new ATOM 0 HA CYS A 13 39.468 25.469 15.439 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.061 26.092 17.880 1.00 0.19 H new ATOM 0 HB3 CYS A 13 40.893 27.492 17.232 1.00 0.19 H new ATOM 0 HG CYS A 13 38.734 28.939 16.792 1.00 1.38 H new ATOM 189 N GLN A 14 41.894 27.585 14.711 1.00 0.17 N ATOM 190 CA GLN A 14 42.317 28.561 13.669 1.00 0.21 C ATOM 191 C GLN A 14 42.182 27.928 12.281 1.00 0.21 C ATOM 192 O GLN A 14 41.707 28.550 11.351 1.00 0.28 O ATOM 193 CB GLN A 14 43.773 28.961 13.908 1.00 0.25 C ATOM 194 CG GLN A 14 44.198 29.988 12.858 1.00 0.64 C ATOM 195 CD GLN A 14 45.510 30.645 13.288 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.357 30.006 13.879 1.00 1.68 O ATOM 197 NE2 GLN A 14 45.715 31.905 13.015 1.00 1.31 N ATOM 0 H GLN A 14 42.576 27.418 15.451 1.00 0.17 H new ATOM 0 HA GLN A 14 41.682 29.445 13.724 1.00 0.21 H new ATOM 0 HB2 GLN A 14 43.887 29.379 14.908 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.416 28.083 13.854 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.322 29.503 11.890 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.422 30.744 12.739 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.004 32.442 12.519 1.00 1.31 H new ATOM 0 HE22 GLN A 14 46.587 32.353 13.298 1.00 1.31 H new ATOM 206 N LYS A 15 42.596 26.697 12.128 1.00 0.20 N ATOM 207 CA LYS A 15 42.486 26.041 10.793 1.00 0.22 C ATOM 208 C LYS A 15 41.011 25.969 10.385 1.00 0.19 C ATOM 209 O LYS A 15 40.608 26.502 9.371 1.00 0.22 O ATOM 210 CB LYS A 15 43.061 24.626 10.868 1.00 0.25 C ATOM 211 CG LYS A 15 44.588 24.700 10.995 1.00 0.57 C ATOM 212 CD LYS A 15 45.166 23.314 11.330 1.00 1.16 C ATOM 213 CE LYS A 15 45.317 22.486 10.052 1.00 1.52 C ATOM 214 NZ LYS A 15 46.330 23.125 9.165 1.00 2.24 N ATOM 0 H LYS A 15 43.003 26.121 12.865 1.00 0.20 H new ATOM 0 HA LYS A 15 43.043 26.620 10.056 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.640 24.096 11.722 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.787 24.063 9.976 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.020 25.065 10.063 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.860 25.413 11.774 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.134 23.423 11.819 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.511 22.798 12.032 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.623 21.469 10.298 1.00 1.52 H new ATOM 0 HE3 LYS A 15 44.359 22.415 9.536 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.069 22.433 8.927 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 45.869 23.453 8.292 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.759 23.935 9.656 1.00 2.24 H new ATOM 228 N LEU A 16 40.201 25.318 11.178 1.00 0.15 N ATOM 229 CA LEU A 16 38.749 25.212 10.857 1.00 0.13 C ATOM 230 C LEU A 16 38.216 26.596 10.465 1.00 0.13 C ATOM 231 O LEU A 16 37.230 26.723 9.766 1.00 0.17 O ATOM 232 CB LEU A 16 38.016 24.696 12.118 1.00 0.11 C ATOM 233 CG LEU A 16 36.901 23.697 11.752 1.00 0.14 C ATOM 234 CD1 LEU A 16 37.505 22.348 11.329 1.00 0.26 C ATOM 235 CD2 LEU A 16 35.998 23.491 12.977 1.00 0.17 C ATOM 0 H LEU A 16 40.486 24.853 12.040 1.00 0.15 H new ATOM 0 HA LEU A 16 38.585 24.526 10.026 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.732 24.216 12.786 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.588 25.538 12.662 1.00 0.11 H new ATOM 0 HG LEU A 16 36.322 24.095 10.919 1.00 0.14 H new ATOM 0 HD11 LEU A 16 36.704 21.655 11.074 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.149 22.494 10.461 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.092 21.938 12.151 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.205 22.786 12.730 1.00 0.17 H new ATOM 0 HD22 LEU A 16 36.590 23.097 13.803 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.558 24.444 13.269 1.00 0.17 H new ATOM 247 N LEU A 17 38.856 27.628 10.933 1.00 0.12 N ATOM 248 CA LEU A 17 38.396 29.011 10.625 1.00 0.13 C ATOM 249 C LEU A 17 38.934 29.466 9.262 1.00 0.15 C ATOM 250 O LEU A 17 38.181 29.807 8.371 1.00 0.22 O ATOM 251 CB LEU A 17 38.907 29.943 11.735 1.00 0.12 C ATOM 252 CG LEU A 17 38.017 31.195 11.850 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.751 30.887 12.669 1.00 0.12 C ATOM 254 CD2 LEU A 17 38.801 32.315 12.549 1.00 0.13 C ATOM 0 H LEU A 17 39.687 27.573 11.522 1.00 0.12 H new ATOM 0 HA LEU A 17 37.307 29.039 10.580 1.00 0.13 H new ATOM 0 HB2 LEU A 17 38.919 29.411 12.686 1.00 0.12 H new ATOM 0 HB3 LEU A 17 39.934 30.240 11.523 1.00 0.12 H new ATOM 0 HG LEU A 17 37.725 31.506 10.847 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.136 31.784 12.739 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.184 30.095 12.179 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.035 30.563 13.670 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.173 33.202 12.631 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.096 31.986 13.545 1.00 0.13 H new ATOM 0 HD23 LEU A 17 39.691 32.554 11.967 1.00 0.13 H new ATOM 266 N GLU A 18 40.226 29.490 9.099 1.00 0.20 N ATOM 267 CA GLU A 18 40.805 29.941 7.802 1.00 0.25 C ATOM 268 C GLU A 18 40.350 29.012 6.670 1.00 0.21 C ATOM 269 O GLU A 18 40.117 29.446 5.560 1.00 0.25 O ATOM 270 CB GLU A 18 42.338 29.949 7.907 1.00 0.32 C ATOM 271 CG GLU A 18 42.896 28.518 7.801 1.00 1.41 C ATOM 272 CD GLU A 18 44.265 28.438 8.487 1.00 2.13 C ATOM 273 OE1 GLU A 18 44.359 28.862 9.628 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.193 27.955 7.860 1.00 2.62 O ATOM 0 H GLU A 18 40.907 29.217 9.807 1.00 0.20 H new ATOM 0 HA GLU A 18 40.456 30.949 7.578 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.759 30.569 7.115 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.641 30.394 8.855 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.205 27.814 8.265 1.00 1.41 H new ATOM 0 HG3 GLU A 18 42.987 28.231 6.753 1.00 1.41 H new ATOM 281 N LYS A 19 40.218 27.740 6.936 1.00 0.20 N ATOM 282 CA LYS A 19 39.777 26.807 5.873 1.00 0.20 C ATOM 283 C LYS A 19 38.414 27.271 5.354 1.00 0.18 C ATOM 284 O LYS A 19 38.218 27.454 4.169 1.00 0.24 O ATOM 285 CB LYS A 19 39.679 25.397 6.474 1.00 0.22 C ATOM 286 CG LYS A 19 41.018 24.668 6.309 1.00 0.30 C ATOM 287 CD LYS A 19 41.070 23.459 7.242 1.00 0.37 C ATOM 288 CE LYS A 19 40.024 22.428 6.811 1.00 0.92 C ATOM 289 NZ LYS A 19 40.293 21.133 7.498 1.00 1.77 N ATOM 0 H LYS A 19 40.398 27.312 7.844 1.00 0.20 H new ATOM 0 HA LYS A 19 40.484 26.791 5.044 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.416 25.459 7.530 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.886 24.836 5.981 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.142 24.346 5.275 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.841 25.346 6.532 1.00 0.30 H new ATOM 0 HD2 LYS A 19 42.064 23.013 7.220 1.00 0.37 H new ATOM 0 HD3 LYS A 19 40.884 23.772 8.269 1.00 0.37 H new ATOM 0 HE2 LYS A 19 39.024 22.783 7.059 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.055 22.292 5.730 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 40.368 20.374 6.791 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 41.184 21.201 8.030 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 39.514 20.919 8.153 1.00 1.77 H new ATOM 303 N PHE A 20 37.480 27.484 6.236 1.00 0.16 N ATOM 304 CA PHE A 20 36.142 27.960 5.806 1.00 0.16 C ATOM 305 C PHE A 20 36.217 29.478 5.633 1.00 0.19 C ATOM 306 O PHE A 20 35.233 30.144 5.379 1.00 0.30 O ATOM 307 CB PHE A 20 35.120 27.596 6.880 1.00 0.14 C ATOM 308 CG PHE A 20 34.831 26.113 6.812 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.777 25.204 7.301 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.630 25.641 6.257 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.528 23.830 7.239 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.384 24.264 6.193 1.00 0.13 C ATOM 313 CZ PHE A 20 34.334 23.359 6.685 1.00 0.12 C ATOM 0 H PHE A 20 37.588 27.348 7.241 1.00 0.16 H new ATOM 0 HA PHE A 20 35.842 27.497 4.866 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.502 27.859 7.866 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.202 28.164 6.732 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.701 25.565 7.727 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.897 26.339 5.880 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.259 23.132 7.619 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.462 23.899 5.764 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.144 22.297 6.636 1.00 0.12 H new ATOM 323 N ARG A 21 37.401 30.018 5.760 1.00 0.18 N ATOM 324 CA ARG A 21 37.598 31.488 5.597 1.00 0.21 C ATOM 325 C ARG A 21 36.585 32.275 6.441 1.00 0.18 C ATOM 326 O ARG A 21 36.055 33.277 6.005 1.00 0.19 O ATOM 327 CB ARG A 21 37.437 31.857 4.115 1.00 0.29 C ATOM 328 CG ARG A 21 38.716 31.486 3.352 1.00 0.65 C ATOM 329 CD ARG A 21 38.575 31.855 1.868 1.00 1.12 C ATOM 330 NE ARG A 21 37.913 30.736 1.141 1.00 1.93 N ATOM 331 CZ ARG A 21 37.426 30.931 -0.055 1.00 2.67 C ATOM 332 NH1 ARG A 21 37.502 32.112 -0.606 1.00 2.95 N ATOM 333 NH2 ARG A 21 36.862 29.945 -0.697 1.00 3.64 N ATOM 0 H ARG A 21 38.251 29.495 5.973 1.00 0.18 H new ATOM 0 HA ARG A 21 38.600 31.748 5.939 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.582 31.332 3.690 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.238 32.924 4.015 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.570 32.007 3.784 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.911 30.418 3.452 1.00 0.65 H new ATOM 0 HD2 ARG A 21 37.990 32.768 1.763 1.00 1.12 H new ATOM 0 HD3 ARG A 21 39.556 32.054 1.436 1.00 1.12 H new ATOM 0 HE ARG A 21 37.840 29.817 1.578 1.00 1.93 H new ATOM 0 HH11 ARG A 21 37.942 32.882 -0.102 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.122 32.264 -1.540 1.00 2.95 H new ATOM 0 HH21 ARG A 21 36.802 29.023 -0.265 1.00 3.64 H new ATOM 0 HH22 ARG A 21 36.481 30.096 -1.631 1.00 3.64 H new ATOM 347 N TYR A 22 36.321 31.851 7.651 1.00 0.15 N ATOM 348 CA TYR A 22 35.357 32.609 8.503 1.00 0.13 C ATOM 349 C TYR A 22 36.108 33.797 9.161 1.00 0.14 C ATOM 350 O TYR A 22 37.297 33.698 9.390 1.00 0.15 O ATOM 351 CB TYR A 22 34.817 31.688 9.614 1.00 0.11 C ATOM 352 CG TYR A 22 33.658 30.832 9.116 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.501 31.424 8.572 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.737 29.434 9.210 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.444 30.620 8.127 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.677 28.635 8.764 1.00 0.12 C ATOM 357 CZ TYR A 22 31.533 29.228 8.222 1.00 0.13 C ATOM 358 OH TYR A 22 30.488 28.439 7.783 1.00 0.15 O ATOM 0 H TYR A 22 36.727 31.021 8.082 1.00 0.15 H new ATOM 0 HA TYR A 22 34.529 32.970 7.893 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.618 31.043 9.975 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.488 32.291 10.460 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.429 32.499 8.498 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.619 28.972 9.628 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.559 31.076 7.710 1.00 0.13 H new ATOM 0 HE2 TYR A 22 32.743 27.560 8.839 1.00 0.12 H new ATOM 0 HH TYR A 22 30.835 27.730 7.203 1.00 0.15 H new ATOM 368 N PRO A 23 35.407 34.876 9.475 1.00 0.14 N ATOM 369 CA PRO A 23 36.035 36.041 10.132 1.00 0.16 C ATOM 370 C PRO A 23 36.673 35.614 11.466 1.00 0.16 C ATOM 371 O PRO A 23 36.587 34.474 11.875 1.00 0.15 O ATOM 372 CB PRO A 23 34.884 37.050 10.355 1.00 0.17 C ATOM 373 CG PRO A 23 33.577 36.383 9.845 1.00 0.15 C ATOM 374 CD PRO A 23 33.964 35.031 9.204 1.00 0.14 C ATOM 0 HA PRO A 23 36.833 36.479 9.533 1.00 0.16 H new ATOM 0 HB2 PRO A 23 34.797 37.306 11.411 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.077 37.978 9.816 1.00 0.17 H new ATOM 0 HG2 PRO A 23 32.878 36.231 10.668 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.079 37.023 9.117 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.391 34.211 9.637 1.00 0.14 H new ATOM 0 HD3 PRO A 23 33.762 35.030 8.133 1.00 0.14 H new ATOM 382 N TRP A 24 37.328 36.528 12.130 1.00 0.18 N ATOM 383 CA TRP A 24 37.999 36.201 13.426 1.00 0.19 C ATOM 384 C TRP A 24 36.994 36.176 14.591 1.00 0.19 C ATOM 385 O TRP A 24 37.308 35.714 15.670 1.00 0.21 O ATOM 386 CB TRP A 24 39.071 37.256 13.708 1.00 0.21 C ATOM 387 CG TRP A 24 39.703 36.993 15.038 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.612 37.806 16.114 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.520 35.858 15.450 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.319 37.244 17.161 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.897 36.043 16.801 1.00 0.42 C ATOM 392 CE3 TRP A 24 40.964 34.699 14.790 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.687 35.110 17.474 1.00 0.50 C ATOM 394 CZ3 TRP A 24 41.760 33.758 15.464 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.120 33.964 16.803 1.00 0.52 C ATOM 0 H TRP A 24 37.429 37.497 11.829 1.00 0.18 H new ATOM 0 HA TRP A 24 38.445 35.210 13.343 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.829 37.236 12.925 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.627 38.251 13.697 1.00 0.21 H new ATOM 0 HD1 TRP A 24 39.075 38.742 16.150 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.403 37.665 18.086 1.00 0.42 H new ATOM 0 HE3 TRP A 24 40.692 34.531 13.759 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.961 35.273 18.506 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.096 32.871 14.948 1.00 0.45 H new ATOM 0 HH2 TRP A 24 42.732 33.237 17.316 1.00 0.52 H new ATOM 406 N GLU A 25 35.807 36.691 14.407 1.00 0.18 N ATOM 407 CA GLU A 25 34.822 36.713 15.537 1.00 0.21 C ATOM 408 C GLU A 25 34.086 35.366 15.667 1.00 0.17 C ATOM 409 O GLU A 25 33.428 35.117 16.657 1.00 0.20 O ATOM 410 CB GLU A 25 33.805 37.843 15.302 1.00 0.29 C ATOM 411 CG GLU A 25 33.539 37.991 13.801 1.00 1.15 C ATOM 412 CD GLU A 25 32.252 38.790 13.583 1.00 1.55 C ATOM 413 OE1 GLU A 25 32.015 39.714 14.344 1.00 2.18 O ATOM 414 OE2 GLU A 25 31.525 38.463 12.660 1.00 1.97 O ATOM 0 H GLU A 25 35.475 37.095 13.531 1.00 0.18 H new ATOM 0 HA GLU A 25 35.366 36.887 16.465 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.875 37.624 15.826 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.187 38.780 15.708 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.378 38.495 13.321 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.451 37.008 13.338 1.00 1.15 H new ATOM 421 N LEU A 26 34.170 34.500 14.690 1.00 0.13 N ATOM 422 CA LEU A 26 33.447 33.188 14.794 1.00 0.11 C ATOM 423 C LEU A 26 34.354 32.119 15.408 1.00 0.10 C ATOM 424 O LEU A 26 34.212 30.945 15.131 1.00 0.11 O ATOM 425 CB LEU A 26 32.999 32.728 13.406 1.00 0.10 C ATOM 426 CG LEU A 26 32.361 33.892 12.643 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.638 33.346 11.413 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.347 34.626 13.534 1.00 0.12 C ATOM 0 H LEU A 26 34.702 34.638 13.831 1.00 0.13 H new ATOM 0 HA LEU A 26 32.577 33.328 15.435 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.853 32.344 12.849 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.285 31.910 13.499 1.00 0.10 H new ATOM 0 HG LEU A 26 33.143 34.590 12.345 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.181 34.169 10.864 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.352 32.833 10.769 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.864 32.645 11.727 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.903 35.451 12.977 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.564 33.933 13.842 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.854 35.016 14.417 1.00 0.12 H new ATOM 440 N MET A 27 35.279 32.505 16.240 1.00 0.12 N ATOM 441 CA MET A 27 36.174 31.499 16.862 1.00 0.13 C ATOM 442 C MET A 27 35.411 30.647 17.912 1.00 0.11 C ATOM 443 O MET A 27 35.650 29.459 17.992 1.00 0.13 O ATOM 444 CB MET A 27 37.383 32.218 17.510 1.00 0.18 C ATOM 445 CG MET A 27 38.580 32.213 16.550 1.00 0.19 C ATOM 446 SD MET A 27 39.332 30.567 16.538 1.00 1.17 S ATOM 447 CE MET A 27 40.417 30.805 17.966 1.00 0.31 C ATOM 0 H MET A 27 35.452 33.472 16.514 1.00 0.12 H new ATOM 0 HA MET A 27 36.534 30.820 16.089 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.113 33.244 17.761 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.653 31.722 18.442 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.256 32.484 15.545 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.313 32.958 16.861 1.00 0.19 H new ATOM 0 HE1 MET A 27 40.555 29.854 18.480 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.384 31.180 17.630 1.00 0.31 H new ATOM 0 HE3 MET A 27 39.966 31.525 18.649 1.00 0.31 H new ATOM 457 N PRO A 28 34.530 31.246 18.702 1.00 0.10 N ATOM 458 CA PRO A 28 33.786 30.485 19.730 1.00 0.09 C ATOM 459 C PRO A 28 33.007 29.320 19.104 1.00 0.10 C ATOM 460 O PRO A 28 32.700 28.352 19.766 1.00 0.19 O ATOM 461 CB PRO A 28 32.843 31.519 20.382 1.00 0.09 C ATOM 462 CG PRO A 28 33.315 32.916 19.904 1.00 0.11 C ATOM 463 CD PRO A 28 34.198 32.690 18.661 1.00 0.11 C ATOM 0 HA PRO A 28 34.450 30.027 20.463 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.809 31.339 20.089 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.883 31.448 21.469 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.462 33.550 19.661 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.876 33.423 20.689 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.668 32.950 17.745 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.097 33.306 18.695 1.00 0.11 H new ATOM 471 N LEU A 29 32.687 29.393 17.843 1.00 0.11 N ATOM 472 CA LEU A 29 31.938 28.269 17.208 1.00 0.09 C ATOM 473 C LEU A 29 32.940 27.209 16.758 1.00 0.10 C ATOM 474 O LEU A 29 32.809 26.046 17.083 1.00 0.19 O ATOM 475 CB LEU A 29 31.132 28.784 16.014 1.00 0.08 C ATOM 476 CG LEU A 29 30.293 29.996 16.447 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.644 30.628 15.214 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.196 29.552 17.427 1.00 0.08 C ATOM 0 H LEU A 29 32.909 30.175 17.227 1.00 0.11 H new ATOM 0 HA LEU A 29 31.242 27.833 17.925 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.803 29.064 15.202 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.482 27.996 15.633 1.00 0.08 H new ATOM 0 HG LEU A 29 30.940 30.722 16.939 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.048 31.489 15.517 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.420 30.951 14.520 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.002 29.896 14.725 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.606 30.417 17.729 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.548 28.822 16.941 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.655 29.101 18.307 1.00 0.08 H new ATOM 490 N MET A 30 33.960 27.597 16.043 1.00 0.10 N ATOM 491 CA MET A 30 34.976 26.597 15.621 1.00 0.12 C ATOM 492 C MET A 30 35.494 25.910 16.883 1.00 0.10 C ATOM 493 O MET A 30 36.040 24.825 16.846 1.00 0.11 O ATOM 494 CB MET A 30 36.133 27.308 14.912 1.00 0.16 C ATOM 495 CG MET A 30 35.748 27.603 13.465 1.00 0.19 C ATOM 496 SD MET A 30 34.326 28.725 13.437 1.00 1.16 S ATOM 497 CE MET A 30 33.383 27.901 12.129 1.00 0.20 C ATOM 0 H MET A 30 34.132 28.554 15.736 1.00 0.10 H new ATOM 0 HA MET A 30 34.541 25.870 14.936 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.374 28.236 15.430 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.027 26.685 14.941 1.00 0.16 H new ATOM 0 HG2 MET A 30 36.590 28.052 12.938 1.00 0.19 H new ATOM 0 HG3 MET A 30 35.504 26.676 12.946 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.684 28.609 11.683 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.067 27.535 11.363 1.00 0.20 H new ATOM 0 HE3 MET A 30 32.830 27.063 12.552 1.00 0.20 H new ATOM 507 N TYR A 31 35.315 26.555 18.004 1.00 0.09 N ATOM 508 CA TYR A 31 35.776 25.983 19.298 1.00 0.09 C ATOM 509 C TYR A 31 34.822 24.867 19.726 1.00 0.09 C ATOM 510 O TYR A 31 35.238 23.785 20.090 1.00 0.10 O ATOM 511 CB TYR A 31 35.775 27.094 20.355 1.00 0.09 C ATOM 512 CG TYR A 31 36.013 26.516 21.731 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.318 26.359 22.210 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.924 26.147 22.530 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.535 25.830 23.488 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.140 25.619 23.808 1.00 0.11 C ATOM 517 CZ TYR A 31 36.446 25.459 24.287 1.00 0.12 C ATOM 518 OH TYR A 31 36.660 24.938 25.547 1.00 0.14 O ATOM 0 H TYR A 31 34.863 27.466 18.077 1.00 0.09 H new ATOM 0 HA TYR A 31 36.781 25.575 19.191 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.549 27.826 20.123 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.821 27.622 20.336 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.158 26.646 21.594 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.917 26.270 22.160 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.542 25.708 23.858 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.300 25.335 24.424 1.00 0.11 H new ATOM 0 HH TYR A 31 35.799 24.734 25.967 1.00 0.14 H new ATOM 528 N VAL A 32 33.544 25.126 19.690 1.00 0.09 N ATOM 529 CA VAL A 32 32.563 24.085 20.100 1.00 0.09 C ATOM 530 C VAL A 32 32.604 22.920 19.109 1.00 0.09 C ATOM 531 O VAL A 32 32.701 21.772 19.494 1.00 0.12 O ATOM 532 CB VAL A 32 31.155 24.690 20.128 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.129 23.583 20.403 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.074 25.761 21.229 1.00 0.12 C ATOM 0 H VAL A 32 33.138 26.014 19.394 1.00 0.09 H new ATOM 0 HA VAL A 32 32.819 23.719 21.094 1.00 0.09 H new ATOM 0 HB VAL A 32 30.938 25.151 19.165 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.127 24.012 20.423 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.186 22.831 19.616 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.344 23.118 21.365 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.072 26.190 21.247 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.291 25.306 22.196 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.801 26.547 21.026 1.00 0.12 H new ATOM 544 N ILE A 33 32.532 23.199 17.835 1.00 0.09 N ATOM 545 CA ILE A 33 32.569 22.099 16.831 1.00 0.09 C ATOM 546 C ILE A 33 33.738 21.152 17.158 1.00 0.10 C ATOM 547 O ILE A 33 33.536 19.989 17.449 1.00 0.11 O ATOM 548 CB ILE A 33 32.714 22.718 15.433 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.428 23.491 15.107 1.00 0.10 C ATOM 550 CG2 ILE A 33 32.920 21.620 14.391 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.604 24.314 13.824 1.00 0.09 C ATOM 0 H ILE A 33 32.449 24.139 17.448 1.00 0.09 H new ATOM 0 HA ILE A 33 31.649 21.515 16.858 1.00 0.09 H new ATOM 0 HB ILE A 33 33.575 23.386 15.416 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.599 22.794 14.988 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.173 24.150 15.937 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.022 22.070 13.403 1.00 0.10 H new ATOM 0 HG22 ILE A 33 33.823 21.058 14.628 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.062 20.947 14.397 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.682 24.855 13.609 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.419 25.025 13.957 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.836 23.648 12.993 1.00 0.09 H new ATOM 563 N LEU A 34 34.953 21.637 17.137 1.00 0.10 N ATOM 564 CA LEU A 34 36.121 20.764 17.475 1.00 0.11 C ATOM 565 C LEU A 34 35.884 20.118 18.853 1.00 0.13 C ATOM 566 O LEU A 34 36.162 18.954 19.055 1.00 0.20 O ATOM 567 CB LEU A 34 37.397 21.658 17.510 1.00 0.09 C ATOM 568 CG LEU A 34 38.353 21.481 16.276 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.641 20.953 15.016 1.00 0.10 C ATOM 570 CD2 LEU A 34 38.987 22.839 15.950 1.00 0.10 C ATOM 0 H LEU A 34 35.188 22.601 16.900 1.00 0.10 H new ATOM 0 HA LEU A 34 36.245 19.974 16.734 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.091 22.703 17.569 1.00 0.09 H new ATOM 0 HB3 LEU A 34 37.955 21.437 18.420 1.00 0.09 H new ATOM 0 HG LEU A 34 39.099 20.737 16.554 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.362 20.856 14.204 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.200 19.979 15.228 1.00 0.10 H new ATOM 0 HD13 LEU A 34 36.856 21.650 14.722 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.654 22.733 15.095 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.204 23.559 15.712 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.554 23.192 16.811 1.00 0.10 H new ATOM 582 N LYS A 35 35.386 20.863 19.800 1.00 0.12 N ATOM 583 CA LYS A 35 35.152 20.286 21.157 1.00 0.15 C ATOM 584 C LYS A 35 34.353 18.981 21.054 1.00 0.21 C ATOM 585 O LYS A 35 34.592 18.042 21.786 1.00 0.29 O ATOM 586 CB LYS A 35 34.375 21.291 22.012 1.00 0.13 C ATOM 587 CG LYS A 35 34.474 20.896 23.489 1.00 0.17 C ATOM 588 CD LYS A 35 33.407 21.642 24.294 1.00 0.26 C ATOM 589 CE LYS A 35 33.585 21.340 25.784 1.00 0.80 C ATOM 590 NZ LYS A 35 33.597 19.865 25.994 1.00 1.49 N ATOM 0 H LYS A 35 35.131 21.845 19.695 1.00 0.12 H new ATOM 0 HA LYS A 35 36.116 20.074 21.619 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.776 22.294 21.866 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.330 21.317 21.701 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.339 19.820 23.598 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.466 21.134 23.873 1.00 0.17 H new ATOM 0 HD2 LYS A 35 33.487 22.715 24.118 1.00 0.26 H new ATOM 0 HD3 LYS A 35 32.412 21.339 23.967 1.00 0.26 H new ATOM 0 HE2 LYS A 35 34.516 21.777 26.146 1.00 0.80 H new ATOM 0 HE3 LYS A 35 32.776 21.793 26.357 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 33.411 19.655 26.996 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 32.861 19.425 25.406 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 34.527 19.484 25.727 1.00 1.49 H new ATOM 604 N ASP A 36 33.397 18.916 20.165 1.00 0.24 N ATOM 605 CA ASP A 36 32.579 17.672 20.037 1.00 0.32 C ATOM 606 C ASP A 36 33.253 16.684 19.085 1.00 0.26 C ATOM 607 O ASP A 36 33.230 15.488 19.299 1.00 0.36 O ATOM 608 CB ASP A 36 31.200 18.030 19.492 1.00 0.42 C ATOM 609 CG ASP A 36 30.596 19.152 20.338 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.558 19.000 21.547 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.182 20.145 19.762 1.00 1.42 O ATOM 0 H ASP A 36 33.147 19.668 19.523 1.00 0.24 H new ATOM 0 HA ASP A 36 32.486 17.210 21.020 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.279 18.346 18.452 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.551 17.155 19.511 1.00 0.42 H new ATOM 616 N ALA A 37 33.839 17.169 18.029 1.00 0.18 N ATOM 617 CA ALA A 37 34.498 16.256 17.056 1.00 0.17 C ATOM 618 C ALA A 37 35.837 15.789 17.610 1.00 0.16 C ATOM 619 O ALA A 37 36.799 15.644 16.882 1.00 0.21 O ATOM 620 CB ALA A 37 34.751 17.014 15.760 1.00 0.19 C ATOM 0 H ALA A 37 33.891 18.161 17.796 1.00 0.18 H new ATOM 0 HA ALA A 37 33.853 15.395 16.878 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.234 16.353 15.040 1.00 0.19 H new ATOM 0 HB2 ALA A 37 33.803 17.364 15.352 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.398 17.869 15.959 1.00 0.19 H new ATOM 626 N ASP A 38 35.928 15.568 18.890 1.00 0.18 N ATOM 627 CA ASP A 38 37.230 15.134 19.460 1.00 0.20 C ATOM 628 C ASP A 38 38.291 16.136 19.005 1.00 0.18 C ATOM 629 O ASP A 38 39.478 15.879 19.037 1.00 0.22 O ATOM 630 CB ASP A 38 37.571 13.727 18.944 1.00 0.25 C ATOM 631 CG ASP A 38 38.532 13.034 19.916 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.120 12.763 21.032 1.00 1.65 O ATOM 633 OD2 ASP A 38 39.662 12.790 19.528 1.00 1.82 O ATOM 0 H ASP A 38 35.165 15.668 19.560 1.00 0.18 H new ATOM 0 HA ASP A 38 37.187 15.100 20.549 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.660 13.138 18.838 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.025 13.793 17.955 1.00 0.25 H new ATOM 638 N ALA A 39 37.839 17.276 18.564 1.00 0.14 N ATOM 639 CA ALA A 39 38.758 18.327 18.073 1.00 0.14 C ATOM 640 C ALA A 39 39.503 17.815 16.841 1.00 0.14 C ATOM 641 O ALA A 39 40.446 18.422 16.373 1.00 0.16 O ATOM 642 CB ALA A 39 39.750 18.707 19.167 1.00 0.16 C ATOM 0 H ALA A 39 36.850 17.524 18.524 1.00 0.14 H new ATOM 0 HA ALA A 39 38.183 19.213 17.803 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.422 19.481 18.796 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.208 19.082 20.035 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.330 17.830 19.453 1.00 0.16 H new ATOM 648 N ASN A 40 39.075 16.706 16.305 1.00 0.14 N ATOM 649 CA ASN A 40 39.745 16.155 15.095 1.00 0.16 C ATOM 650 C ASN A 40 39.226 16.921 13.875 1.00 0.14 C ATOM 651 O ASN A 40 38.155 16.651 13.369 1.00 0.15 O ATOM 652 CB ASN A 40 39.419 14.644 14.972 1.00 0.20 C ATOM 653 CG ASN A 40 40.664 13.801 15.278 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.740 13.156 16.305 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.648 13.783 14.421 1.00 1.19 N ATOM 0 H ASN A 40 38.289 16.157 16.653 1.00 0.14 H new ATOM 0 HA ASN A 40 40.827 16.268 15.164 1.00 0.16 H new ATOM 0 HB2 ASN A 40 38.616 14.382 15.661 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.061 14.423 13.966 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.481 13.227 14.613 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.584 14.325 13.559 1.00 1.19 H new ATOM 662 N ILE A 41 39.976 17.881 13.411 1.00 0.13 N ATOM 663 CA ILE A 41 39.531 18.677 12.233 1.00 0.12 C ATOM 664 C ILE A 41 38.993 17.743 11.148 1.00 0.13 C ATOM 665 O ILE A 41 37.930 17.961 10.601 1.00 0.14 O ATOM 666 CB ILE A 41 40.712 19.492 11.705 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.059 20.555 12.761 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.322 20.149 10.370 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.203 21.449 12.282 1.00 0.16 C ATOM 0 H ILE A 41 40.881 18.150 13.798 1.00 0.13 H new ATOM 0 HA ILE A 41 38.731 19.357 12.526 1.00 0.12 H new ATOM 0 HB ILE A 41 41.580 18.857 11.527 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.180 21.164 12.972 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.340 20.067 13.695 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.163 20.731 9.992 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.061 19.376 9.647 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.466 20.806 10.524 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.429 22.192 13.047 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.087 20.840 12.096 1.00 0.16 H new ATOM 0 HD13 ILE A 41 41.910 21.954 11.361 1.00 0.16 H new ATOM 681 N GLU A 42 39.709 16.701 10.836 1.00 0.15 N ATOM 682 CA GLU A 42 39.222 15.759 9.796 1.00 0.16 C ATOM 683 C GLU A 42 37.851 15.226 10.210 1.00 0.16 C ATOM 684 O GLU A 42 37.058 14.821 9.389 1.00 0.19 O ATOM 685 CB GLU A 42 40.207 14.597 9.653 1.00 0.19 C ATOM 686 CG GLU A 42 41.453 15.074 8.904 1.00 0.26 C ATOM 687 CD GLU A 42 42.417 13.901 8.717 1.00 1.04 C ATOM 688 OE1 GLU A 42 41.983 12.772 8.875 1.00 1.80 O ATOM 689 OE2 GLU A 42 43.574 14.152 8.420 1.00 1.67 O ATOM 0 H GLU A 42 40.608 16.462 11.255 1.00 0.15 H new ATOM 0 HA GLU A 42 39.141 16.276 8.840 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.484 14.218 10.637 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.739 13.773 9.114 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.172 15.486 7.935 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.941 15.874 9.461 1.00 0.26 H new ATOM 696 N GLU A 43 37.562 15.225 11.484 1.00 0.15 N ATOM 697 CA GLU A 43 36.233 14.732 11.952 1.00 0.16 C ATOM 698 C GLU A 43 35.240 15.900 11.971 1.00 0.15 C ATOM 699 O GLU A 43 34.055 15.724 11.769 1.00 0.21 O ATOM 700 CB GLU A 43 36.367 14.148 13.361 1.00 0.18 C ATOM 701 CG GLU A 43 35.013 13.603 13.822 1.00 0.33 C ATOM 702 CD GLU A 43 35.166 12.947 15.194 1.00 1.21 C ATOM 703 OE1 GLU A 43 35.782 13.555 16.055 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.665 11.847 15.363 1.00 1.84 O ATOM 0 H GLU A 43 38.189 15.545 12.222 1.00 0.15 H new ATOM 0 HA GLU A 43 35.873 13.956 11.276 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.112 13.352 13.366 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.716 14.915 14.052 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.283 14.410 13.873 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.637 12.878 13.101 1.00 0.33 H new ATOM 711 N ALA A 44 35.716 17.092 12.227 1.00 0.13 N ATOM 712 CA ALA A 44 34.805 18.275 12.277 1.00 0.14 C ATOM 713 C ALA A 44 34.551 18.806 10.861 1.00 0.16 C ATOM 714 O ALA A 44 33.423 18.994 10.452 1.00 0.20 O ATOM 715 CB ALA A 44 35.451 19.378 13.135 1.00 0.14 C ATOM 0 H ALA A 44 36.699 17.297 12.404 1.00 0.13 H new ATOM 0 HA ALA A 44 33.854 17.977 12.717 1.00 0.14 H new ATOM 0 HB1 ALA A 44 34.789 20.243 13.174 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.618 19.003 14.145 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.404 19.670 12.695 1.00 0.14 H new ATOM 721 N SER A 45 35.590 19.067 10.119 1.00 0.16 N ATOM 722 CA SER A 45 35.412 19.605 8.738 1.00 0.21 C ATOM 723 C SER A 45 34.326 18.814 8.000 1.00 0.20 C ATOM 724 O SER A 45 33.721 19.299 7.066 1.00 0.32 O ATOM 725 CB SER A 45 36.733 19.493 7.976 1.00 0.26 C ATOM 726 OG SER A 45 36.466 19.374 6.585 1.00 1.01 O ATOM 0 H SER A 45 36.559 18.931 10.409 1.00 0.16 H new ATOM 0 HA SER A 45 35.110 20.650 8.798 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.351 20.371 8.165 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.295 18.627 8.325 1.00 0.26 H new ATOM 0 HG SER A 45 37.311 19.304 6.094 1.00 1.01 H new ATOM 732 N ARG A 46 34.077 17.602 8.410 1.00 0.18 N ATOM 733 CA ARG A 46 33.033 16.782 7.731 1.00 0.20 C ATOM 734 C ARG A 46 31.652 17.208 8.242 1.00 0.16 C ATOM 735 O ARG A 46 30.646 16.990 7.596 1.00 0.22 O ATOM 736 CB ARG A 46 33.273 15.293 8.043 1.00 0.23 C ATOM 737 CG ARG A 46 34.274 14.688 7.045 1.00 0.85 C ATOM 738 CD ARG A 46 35.548 15.545 6.983 1.00 1.14 C ATOM 739 NE ARG A 46 35.358 16.661 6.001 1.00 1.59 N ATOM 740 CZ ARG A 46 35.135 16.434 4.734 1.00 2.17 C ATOM 741 NH1 ARG A 46 35.186 15.218 4.262 1.00 2.66 N ATOM 742 NH2 ARG A 46 34.889 17.431 3.930 1.00 2.87 N ATOM 0 H ARG A 46 34.552 17.142 9.187 1.00 0.18 H new ATOM 0 HA ARG A 46 33.082 16.933 6.653 1.00 0.20 H new ATOM 0 HB2 ARG A 46 33.653 15.185 9.059 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.330 14.749 7.996 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.526 13.670 7.344 1.00 0.85 H new ATOM 0 HG3 ARG A 46 33.820 14.627 6.056 1.00 0.85 H new ATOM 0 HD2 ARG A 46 35.774 15.950 7.969 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.398 14.929 6.689 1.00 1.14 H new ATOM 0 HE ARG A 46 35.404 17.625 6.331 1.00 1.59 H new ATOM 0 HH11 ARG A 46 35.401 14.438 4.883 1.00 2.66 H new ATOM 0 HH12 ARG A 46 35.011 15.048 3.272 1.00 2.66 H new ATOM 0 HH21 ARG A 46 34.871 18.385 4.291 1.00 2.87 H new ATOM 0 HH22 ARG A 46 34.715 17.257 2.940 1.00 2.87 H new ATOM 756 N ARG A 47 31.598 17.816 9.394 1.00 0.13 N ATOM 757 CA ARG A 47 30.285 18.258 9.943 1.00 0.13 C ATOM 758 C ARG A 47 29.898 19.594 9.310 1.00 0.11 C ATOM 759 O ARG A 47 28.845 19.735 8.721 1.00 0.13 O ATOM 760 CB ARG A 47 30.397 18.428 11.459 1.00 0.18 C ATOM 761 CG ARG A 47 30.978 17.154 12.078 1.00 0.49 C ATOM 762 CD ARG A 47 30.994 17.286 13.602 1.00 0.62 C ATOM 763 NE ARG A 47 31.185 15.939 14.212 1.00 0.81 N ATOM 764 CZ ARG A 47 31.497 15.831 15.474 1.00 1.20 C ATOM 765 NH1 ARG A 47 31.636 16.902 16.205 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.669 14.651 16.006 1.00 1.63 N ATOM 0 H ARG A 47 32.406 18.026 9.980 1.00 0.13 H new ATOM 0 HA ARG A 47 29.524 17.511 9.717 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.034 19.281 11.693 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.416 18.636 11.885 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.382 16.290 11.784 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.989 16.985 11.707 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.797 17.955 13.912 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.060 17.726 13.950 1.00 0.62 H new ATOM 0 HE ARG A 47 31.072 15.101 13.642 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.501 17.824 15.790 1.00 1.99 H new ATOM 0 HH12 ARG A 47 31.880 16.818 17.192 1.00 1.99 H new ATOM 0 HH21 ARG A 47 31.559 13.813 15.435 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.913 14.567 16.993 1.00 1.63 H new ATOM 780 N ILE A 48 30.748 20.575 9.426 1.00 0.10 N ATOM 781 CA ILE A 48 30.442 21.907 8.830 1.00 0.10 C ATOM 782 C ILE A 48 29.990 21.722 7.384 1.00 0.11 C ATOM 783 O ILE A 48 28.895 22.097 7.018 1.00 0.13 O ATOM 784 CB ILE A 48 31.690 22.787 8.894 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.215 22.786 10.336 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.326 24.213 8.473 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.398 23.745 10.467 1.00 0.10 C ATOM 0 H ILE A 48 31.644 20.513 9.909 1.00 0.10 H new ATOM 0 HA ILE A 48 29.641 22.391 9.388 1.00 0.10 H new ATOM 0 HB ILE A 48 32.458 22.404 8.222 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.420 23.082 11.021 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.521 21.779 10.619 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.214 24.843 8.518 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.938 24.204 7.454 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.566 24.609 9.147 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.762 23.736 11.494 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.197 23.430 9.796 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.080 24.754 10.204 1.00 0.10 H new ATOM 799 N GLU A 49 30.810 21.131 6.563 1.00 0.11 N ATOM 800 CA GLU A 49 30.408 20.909 5.142 1.00 0.12 C ATOM 801 C GLU A 49 29.005 20.313 5.107 1.00 0.12 C ATOM 802 O GLU A 49 28.080 20.895 4.577 1.00 0.13 O ATOM 803 CB GLU A 49 31.364 19.916 4.499 1.00 0.13 C ATOM 804 CG GLU A 49 32.730 20.571 4.274 1.00 0.15 C ATOM 805 CD GLU A 49 33.575 19.692 3.350 1.00 0.17 C ATOM 806 OE1 GLU A 49 32.997 18.913 2.611 1.00 1.08 O ATOM 807 OE2 GLU A 49 34.788 19.813 3.398 1.00 1.09 O ATOM 0 H GLU A 49 31.740 20.792 6.811 1.00 0.11 H new ATOM 0 HA GLU A 49 30.432 21.858 4.606 1.00 0.12 H new ATOM 0 HB2 GLU A 49 31.473 19.039 5.137 1.00 0.13 H new ATOM 0 HB3 GLU A 49 30.957 19.570 3.549 1.00 0.13 H new ATOM 0 HG2 GLU A 49 32.602 21.560 3.835 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.240 20.709 5.227 1.00 0.15 H new ATOM 814 N GLU A 50 28.840 19.159 5.692 1.00 0.12 N ATOM 815 CA GLU A 50 27.495 18.528 5.721 1.00 0.13 C ATOM 816 C GLU A 50 26.522 19.555 6.278 1.00 0.12 C ATOM 817 O GLU A 50 25.332 19.476 6.084 1.00 0.12 O ATOM 818 CB GLU A 50 27.519 17.292 6.624 1.00 0.14 C ATOM 819 CG GLU A 50 26.167 16.580 6.551 1.00 0.17 C ATOM 820 CD GLU A 50 26.234 15.274 7.346 1.00 1.15 C ATOM 821 OE1 GLU A 50 26.641 14.276 6.775 1.00 1.74 O ATOM 822 OE2 GLU A 50 25.878 15.295 8.513 1.00 2.03 O ATOM 0 H GLU A 50 29.580 18.627 6.151 1.00 0.12 H new ATOM 0 HA GLU A 50 27.195 18.215 4.721 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.315 16.616 6.312 1.00 0.14 H new ATOM 0 HB3 GLU A 50 27.733 17.584 7.652 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.383 17.223 6.952 1.00 0.17 H new ATOM 0 HG3 GLU A 50 25.909 16.373 5.512 1.00 0.17 H new ATOM 829 N GLY A 51 27.043 20.532 6.964 1.00 0.11 N ATOM 830 CA GLY A 51 26.170 21.599 7.539 1.00 0.10 C ATOM 831 C GLY A 51 25.910 22.653 6.461 1.00 0.10 C ATOM 832 O GLY A 51 24.781 22.974 6.146 1.00 0.11 O ATOM 0 H GLY A 51 28.039 20.641 7.154 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.229 21.172 7.885 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.650 22.055 8.405 1.00 0.10 H new ATOM 836 N GLN A 52 26.955 23.178 5.883 1.00 0.10 N ATOM 837 CA GLN A 52 26.796 24.198 4.805 1.00 0.12 C ATOM 838 C GLN A 52 25.823 23.650 3.771 1.00 0.12 C ATOM 839 O GLN A 52 24.910 24.323 3.335 1.00 0.13 O ATOM 840 CB GLN A 52 28.159 24.454 4.151 1.00 0.14 C ATOM 841 CG GLN A 52 29.203 24.814 5.225 1.00 0.19 C ATOM 842 CD GLN A 52 29.127 26.296 5.577 1.00 0.42 C ATOM 843 OE1 GLN A 52 29.128 26.657 6.737 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.080 27.171 4.622 1.00 0.39 N ATOM 0 H GLN A 52 27.921 22.943 6.112 1.00 0.10 H new ATOM 0 HA GLN A 52 26.416 25.134 5.215 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.480 23.568 3.603 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.077 25.264 3.427 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.034 24.214 6.119 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.202 24.572 4.863 1.00 0.19 H new ATOM 0 HE21 GLN A 52 29.079 26.865 3.649 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.044 28.166 4.843 1.00 0.39 H new ATOM 853 N TYR A 53 26.007 22.423 3.391 1.00 0.12 N ATOM 854 CA TYR A 53 25.088 21.806 2.395 1.00 0.13 C ATOM 855 C TYR A 53 23.652 21.846 2.948 1.00 0.13 C ATOM 856 O TYR A 53 22.726 22.225 2.259 1.00 0.15 O ATOM 857 CB TYR A 53 25.524 20.352 2.117 1.00 0.14 C ATOM 858 CG TYR A 53 24.374 19.565 1.520 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.392 19.044 2.363 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.284 19.370 0.137 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.316 18.329 1.838 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.205 18.652 -0.397 1.00 0.19 C ATOM 863 CZ TYR A 53 22.219 18.131 0.454 1.00 0.19 C ATOM 864 OH TYR A 53 21.157 17.423 -0.070 1.00 0.22 O ATOM 0 H TYR A 53 26.755 21.816 3.726 1.00 0.12 H new ATOM 0 HA TYR A 53 25.125 22.361 1.457 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.373 20.344 1.434 1.00 0.14 H new ATOM 0 HB3 TYR A 53 25.855 19.881 3.042 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.466 19.196 3.430 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.044 19.772 -0.517 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.559 17.929 2.496 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.133 18.500 -1.464 1.00 0.19 H new ATOM 0 HH TYR A 53 20.864 17.844 -0.905 1.00 0.22 H new ATOM 874 N VAL A 54 23.458 21.454 4.182 1.00 0.15 N ATOM 875 CA VAL A 54 22.077 21.473 4.754 1.00 0.14 C ATOM 876 C VAL A 54 21.472 22.863 4.562 1.00 0.14 C ATOM 877 O VAL A 54 20.505 23.041 3.849 1.00 0.15 O ATOM 878 CB VAL A 54 22.109 21.147 6.259 1.00 0.13 C ATOM 879 CG1 VAL A 54 20.688 21.287 6.820 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.623 19.703 6.508 1.00 0.14 C ATOM 0 H VAL A 54 24.188 21.125 4.813 1.00 0.15 H new ATOM 0 HA VAL A 54 21.476 20.722 4.241 1.00 0.14 H new ATOM 0 HB VAL A 54 22.789 21.839 6.757 1.00 0.13 H new ATOM 0 HG11 VAL A 54 20.694 21.059 7.886 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.336 22.307 6.669 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.023 20.594 6.304 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.635 19.501 7.579 1.00 0.14 H new ATOM 0 HG22 VAL A 54 21.963 18.991 6.012 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.632 19.602 6.108 1.00 0.14 H new ATOM 890 N VAL A 55 22.037 23.846 5.200 1.00 0.15 N ATOM 891 CA VAL A 55 21.504 25.228 5.067 1.00 0.16 C ATOM 892 C VAL A 55 21.367 25.573 3.582 1.00 0.19 C ATOM 893 O VAL A 55 20.315 25.966 3.119 1.00 0.22 O ATOM 894 CB VAL A 55 22.474 26.204 5.745 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.882 27.616 5.744 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.714 25.752 7.191 1.00 0.13 C ATOM 0 H VAL A 55 22.849 23.752 5.811 1.00 0.15 H new ATOM 0 HA VAL A 55 20.526 25.301 5.543 1.00 0.16 H new ATOM 0 HB VAL A 55 23.417 26.214 5.198 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.577 28.302 6.227 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.710 27.938 4.717 1.00 0.29 H new ATOM 0 HG13 VAL A 55 20.937 27.615 6.287 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.403 26.442 7.678 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.767 25.743 7.731 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.143 24.750 7.193 1.00 0.13 H new ATOM 906 N ASN A 56 22.425 25.429 2.836 1.00 0.22 N ATOM 907 CA ASN A 56 22.362 25.749 1.381 1.00 0.27 C ATOM 908 C ASN A 56 21.202 24.985 0.736 1.00 0.26 C ATOM 909 O ASN A 56 20.382 25.553 0.042 1.00 0.33 O ATOM 910 CB ASN A 56 23.675 25.340 0.710 1.00 0.35 C ATOM 911 CG ASN A 56 24.781 26.318 1.112 1.00 0.71 C ATOM 912 OD1 ASN A 56 24.832 26.766 2.241 1.00 1.56 O ATOM 913 ND2 ASN A 56 25.676 26.670 0.230 1.00 0.90 N ATOM 0 H ASN A 56 23.332 25.103 3.170 1.00 0.22 H new ATOM 0 HA ASN A 56 22.206 26.820 1.254 1.00 0.27 H new ATOM 0 HB2 ASN A 56 23.946 24.327 1.006 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.556 25.335 -0.373 1.00 0.35 H new ATOM 0 HD21 ASN A 56 26.418 27.321 0.488 1.00 0.90 H new ATOM 0 HD22 ASN A 56 25.634 26.294 -0.717 1.00 0.90 H new ATOM 920 N GLU A 57 21.124 23.702 0.958 1.00 0.24 N ATOM 921 CA GLU A 57 20.013 22.911 0.355 1.00 0.26 C ATOM 922 C GLU A 57 18.679 23.436 0.884 1.00 0.25 C ATOM 923 O GLU A 57 17.761 23.702 0.133 1.00 0.32 O ATOM 924 CB GLU A 57 20.166 21.436 0.735 1.00 0.29 C ATOM 925 CG GLU A 57 19.147 20.599 -0.042 1.00 0.50 C ATOM 926 CD GLU A 57 19.185 19.153 0.456 1.00 1.58 C ATOM 927 OE1 GLU A 57 19.508 18.954 1.616 1.00 2.37 O ATOM 928 OE2 GLU A 57 18.891 18.268 -0.331 1.00 2.31 O ATOM 0 H GLU A 57 21.779 23.168 1.529 1.00 0.24 H new ATOM 0 HA GLU A 57 20.043 23.008 -0.730 1.00 0.26 H new ATOM 0 HB2 GLU A 57 21.177 21.095 0.512 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.015 21.308 1.807 1.00 0.29 H new ATOM 0 HG2 GLU A 57 18.147 21.013 0.087 1.00 0.50 H new ATOM 0 HG3 GLU A 57 19.371 20.633 -1.108 1.00 0.50 H new ATOM 935 N TYR A 58 18.565 23.586 2.174 1.00 0.22 N ATOM 936 CA TYR A 58 17.294 24.092 2.759 1.00 0.26 C ATOM 937 C TYR A 58 17.032 25.512 2.244 1.00 0.32 C ATOM 938 O TYR A 58 15.925 26.009 2.303 1.00 0.46 O ATOM 939 CB TYR A 58 17.414 24.075 4.294 1.00 0.33 C ATOM 940 CG TYR A 58 16.389 24.997 4.924 1.00 0.77 C ATOM 941 CD1 TYR A 58 15.028 24.671 4.877 1.00 0.82 C ATOM 942 CD2 TYR A 58 16.804 26.177 5.554 1.00 1.98 C ATOM 943 CE1 TYR A 58 14.082 25.525 5.459 1.00 0.99 C ATOM 944 CE2 TYR A 58 15.859 27.031 6.136 1.00 2.44 C ATOM 945 CZ TYR A 58 14.498 26.705 6.088 1.00 1.71 C ATOM 946 OH TYR A 58 13.567 27.547 6.662 1.00 2.18 O ATOM 0 H TYR A 58 19.300 23.379 2.850 1.00 0.22 H new ATOM 0 HA TYR A 58 16.457 23.459 2.464 1.00 0.26 H new ATOM 0 HB2 TYR A 58 17.272 23.059 4.663 1.00 0.33 H new ATOM 0 HB3 TYR A 58 18.417 24.384 4.588 1.00 0.33 H new ATOM 0 HD1 TYR A 58 14.707 23.761 4.392 1.00 0.82 H new ATOM 0 HD2 TYR A 58 17.854 26.429 5.591 1.00 1.98 H new ATOM 0 HE1 TYR A 58 13.032 25.273 5.423 1.00 0.99 H new ATOM 0 HE2 TYR A 58 16.180 27.941 6.622 1.00 2.44 H new ATOM 0 HH TYR A 58 14.024 28.319 7.056 1.00 2.18 H new ATOM 956 N SER A 59 18.039 26.163 1.731 1.00 0.40 N ATOM 957 CA SER A 59 17.848 27.544 1.203 1.00 0.52 C ATOM 958 C SER A 59 17.387 27.463 -0.254 1.00 0.55 C ATOM 959 O SER A 59 16.470 28.146 -0.665 1.00 0.70 O ATOM 960 CB SER A 59 19.170 28.308 1.283 1.00 0.61 C ATOM 961 OG SER A 59 19.416 28.681 2.632 1.00 1.22 O ATOM 0 H SER A 59 18.988 25.798 1.654 1.00 0.40 H new ATOM 0 HA SER A 59 17.096 28.065 1.796 1.00 0.52 H new ATOM 0 HB2 SER A 59 19.985 27.687 0.911 1.00 0.61 H new ATOM 0 HB3 SER A 59 19.130 29.194 0.650 1.00 0.61 H new ATOM 0 HG SER A 59 19.763 27.909 3.127 1.00 1.22 H new ATOM 967 N ARG A 60 18.014 26.627 -1.040 1.00 0.55 N ATOM 968 CA ARG A 60 17.606 26.500 -2.467 1.00 0.68 C ATOM 969 C ARG A 60 16.115 26.166 -2.532 1.00 0.68 C ATOM 970 O ARG A 60 15.348 26.836 -3.195 1.00 0.81 O ATOM 971 CB ARG A 60 18.416 25.383 -3.135 1.00 0.80 C ATOM 972 CG ARG A 60 19.830 25.887 -3.439 1.00 1.08 C ATOM 973 CD ARG A 60 20.610 24.805 -4.189 1.00 1.52 C ATOM 974 NE ARG A 60 20.999 23.723 -3.241 1.00 2.16 N ATOM 975 CZ ARG A 60 21.400 22.569 -3.699 1.00 2.72 C ATOM 976 NH1 ARG A 60 21.458 22.362 -4.987 1.00 2.84 N ATOM 977 NH2 ARG A 60 21.741 21.620 -2.870 1.00 3.69 N ATOM 0 H ARG A 60 18.789 26.029 -0.755 1.00 0.55 H new ATOM 0 HA ARG A 60 17.794 27.438 -2.989 1.00 0.68 H new ATOM 0 HB2 ARG A 60 18.462 24.512 -2.481 1.00 0.80 H new ATOM 0 HB3 ARG A 60 17.926 25.065 -4.055 1.00 0.80 H new ATOM 0 HG2 ARG A 60 19.782 26.796 -4.038 1.00 1.08 H new ATOM 0 HG3 ARG A 60 20.343 26.143 -2.512 1.00 1.08 H new ATOM 0 HD2 ARG A 60 20.001 24.395 -4.994 1.00 1.52 H new ATOM 0 HD3 ARG A 60 21.499 25.236 -4.650 1.00 1.52 H new ATOM 0 HE ARG A 60 20.952 23.884 -2.235 1.00 2.16 H new ATOM 0 HH11 ARG A 60 21.190 23.103 -5.635 1.00 2.84 H new ATOM 0 HH12 ARG A 60 21.772 21.460 -5.345 1.00 2.84 H new ATOM 0 HH21 ARG A 60 21.694 21.781 -1.864 1.00 3.69 H new ATOM 0 HH22 ARG A 60 22.054 20.718 -3.228 1.00 3.69 H new ATOM 991 N GLN A 61 15.693 25.142 -1.841 1.00 0.65 N ATOM 992 CA GLN A 61 14.248 24.779 -1.857 1.00 0.75 C ATOM 993 C GLN A 61 13.425 26.026 -1.530 1.00 0.82 C ATOM 994 O GLN A 61 12.226 26.067 -1.724 1.00 0.98 O ATOM 995 CB GLN A 61 13.979 23.700 -0.806 1.00 0.78 C ATOM 996 CG GLN A 61 12.550 23.179 -0.963 1.00 1.35 C ATOM 997 CD GLN A 61 12.337 21.986 -0.031 1.00 1.81 C ATOM 998 OE1 GLN A 61 13.054 21.007 -0.105 1.00 2.46 O ATOM 999 NE2 GLN A 61 11.376 22.025 0.851 1.00 2.39 N ATOM 0 H GLN A 61 16.286 24.542 -1.267 1.00 0.65 H new ATOM 0 HA GLN A 61 13.972 24.397 -2.840 1.00 0.75 H new ATOM 0 HB2 GLN A 61 14.690 22.882 -0.919 1.00 0.78 H new ATOM 0 HB3 GLN A 61 14.120 24.109 0.195 1.00 0.78 H new ATOM 0 HG2 GLN A 61 11.836 23.969 -0.729 1.00 1.35 H new ATOM 0 HG3 GLN A 61 12.371 22.883 -1.997 1.00 1.35 H new ATOM 0 HE21 GLN A 61 10.774 22.846 0.914 1.00 2.39 H new ATOM 0 HE22 GLN A 61 11.227 21.234 1.478 1.00 2.39 H new ATOM 1008 N HIS A 62 14.075 27.046 -1.037 1.00 0.86 N ATOM 1009 CA HIS A 62 13.372 28.316 -0.687 1.00 1.04 C ATOM 1010 C HIS A 62 14.220 29.489 -1.180 1.00 1.08 C ATOM 1011 O HIS A 62 14.308 30.515 -0.535 1.00 1.27 O ATOM 1012 CB HIS A 62 13.205 28.406 0.832 1.00 1.15 C ATOM 1013 CG HIS A 62 12.169 27.413 1.284 1.00 1.32 C ATOM 1014 ND1 HIS A 62 11.295 26.798 0.397 1.00 1.81 N ATOM 1015 CD2 HIS A 62 11.854 26.917 2.526 1.00 1.57 C ATOM 1016 CE1 HIS A 62 10.504 25.975 1.111 1.00 1.95 C ATOM 1017 NE2 HIS A 62 10.805 26.013 2.409 1.00 1.81 N ATOM 0 H HIS A 62 15.079 27.053 -0.859 1.00 0.86 H new ATOM 0 HA HIS A 62 12.388 28.342 -1.155 1.00 1.04 H new ATOM 0 HB2 HIS A 62 14.156 28.205 1.325 1.00 1.15 H new ATOM 0 HB3 HIS A 62 12.905 29.415 1.116 1.00 1.15 H new ATOM 0 HD1 HIS A 62 11.259 26.943 -0.612 1.00 1.81 H new ATOM 0 HD2 HIS A 62 12.345 27.187 3.449 1.00 1.57 H new ATOM 0 HE1 HIS A 62 9.724 25.361 0.686 1.00 1.95 H new ATOM 1025 N ASN A 63 14.857 29.319 -2.316 1.00 1.07 N ATOM 1026 CA ASN A 63 15.734 30.389 -2.895 1.00 1.28 C ATOM 1027 C ASN A 63 15.200 31.785 -2.559 1.00 1.39 C ATOM 1028 O ASN A 63 14.039 32.084 -2.752 1.00 1.84 O ATOM 1029 CB ASN A 63 15.786 30.227 -4.416 1.00 1.47 C ATOM 1030 CG ASN A 63 14.365 30.092 -4.966 1.00 1.99 C ATOM 1031 OD1 ASN A 63 13.405 30.145 -4.222 1.00 2.62 O ATOM 1032 ND2 ASN A 63 14.189 29.918 -6.247 1.00 2.68 N ATOM 0 H ASN A 63 14.805 28.468 -2.876 1.00 1.07 H new ATOM 0 HA ASN A 63 16.730 30.287 -2.465 1.00 1.28 H new ATOM 0 HB2 ASN A 63 16.281 31.087 -4.867 1.00 1.47 H new ATOM 0 HB3 ASN A 63 16.374 29.347 -4.678 1.00 1.47 H new ATOM 0 HD21 ASN A 63 13.246 29.826 -6.624 1.00 2.68 H new ATOM 0 HD22 ASN A 63 14.995 29.874 -6.871 1.00 2.68 H new ATOM 1039 N LEU A 64 16.049 32.639 -2.055 1.00 1.34 N ATOM 1040 CA LEU A 64 15.609 34.015 -1.701 1.00 1.51 C ATOM 1041 C LEU A 64 15.514 34.850 -2.980 1.00 1.81 C ATOM 1042 O LEU A 64 16.173 35.861 -3.125 1.00 2.42 O ATOM 1043 CB LEU A 64 16.630 34.659 -0.749 1.00 1.61 C ATOM 1044 CG LEU A 64 16.724 33.885 0.584 1.00 1.76 C ATOM 1045 CD1 LEU A 64 15.342 33.786 1.249 1.00 1.87 C ATOM 1046 CD2 LEU A 64 17.296 32.473 0.350 1.00 2.54 C ATOM 0 H LEU A 64 17.033 32.440 -1.873 1.00 1.34 H new ATOM 0 HA LEU A 64 14.637 33.972 -1.209 1.00 1.51 H new ATOM 0 HB2 LEU A 64 17.609 34.684 -1.227 1.00 1.61 H new ATOM 0 HB3 LEU A 64 16.345 35.692 -0.552 1.00 1.61 H new ATOM 0 HG LEU A 64 17.395 34.431 1.247 1.00 1.76 H new ATOM 0 HD11 LEU A 64 15.428 33.237 2.187 1.00 1.87 H new ATOM 0 HD12 LEU A 64 14.961 34.788 1.448 1.00 1.87 H new ATOM 0 HD13 LEU A 64 14.655 33.262 0.584 1.00 1.87 H new ATOM 0 HD21 LEU A 64 17.355 31.942 1.300 1.00 2.54 H new ATOM 0 HD22 LEU A 64 16.645 31.925 -0.332 1.00 2.54 H new ATOM 0 HD23 LEU A 64 18.293 32.552 -0.084 1.00 2.54 H new ATOM 1058 N ASN A 65 14.701 34.431 -3.912 1.00 2.02 N ATOM 1059 CA ASN A 65 14.561 35.191 -5.189 1.00 2.49 C ATOM 1060 C ASN A 65 13.503 36.284 -5.027 1.00 3.04 C ATOM 1061 O ASN A 65 13.034 36.850 -5.994 1.00 3.62 O ATOM 1062 CB ASN A 65 14.130 34.236 -6.301 1.00 3.04 C ATOM 1063 CG ASN A 65 14.067 34.993 -7.629 1.00 3.59 C ATOM 1064 OD1 ASN A 65 13.028 35.499 -8.005 1.00 4.09 O ATOM 1065 ND2 ASN A 65 15.143 35.094 -8.360 1.00 4.13 N ATOM 0 H ASN A 65 14.125 33.592 -3.844 1.00 2.02 H new ATOM 0 HA ASN A 65 15.518 35.647 -5.443 1.00 2.49 H new ATOM 0 HB2 ASN A 65 14.834 33.407 -6.376 1.00 3.04 H new ATOM 0 HB3 ASN A 65 13.155 33.807 -6.069 1.00 3.04 H new ATOM 0 HD21 ASN A 65 15.112 35.597 -9.247 1.00 4.13 H new ATOM 0 HD22 ASN A 65 16.015 34.670 -8.045 1.00 4.13 H new ATOM 1072 N ILE A 66 13.122 36.584 -3.811 1.00 0.00 N ATOM 1073 CA ILE A 66 12.089 37.641 -3.573 1.00 0.00 C ATOM 1074 C ILE A 66 12.545 38.530 -2.411 1.00 0.00 C ATOM 1075 O ILE A 66 12.253 39.709 -2.367 1.00 0.00 O ATOM 1076 CB ILE A 66 10.736 36.963 -3.268 1.00 0.00 C ATOM 1077 CG1 ILE A 66 10.642 36.569 -1.777 1.00 0.00 C ATOM 1078 CG2 ILE A 66 10.613 35.701 -4.126 1.00 0.00 C ATOM 1079 CD1 ILE A 66 10.272 37.782 -0.897 1.00 0.00 C ATOM 0 H ILE A 66 13.484 36.140 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 66 11.966 38.268 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 66 9.932 37.663 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.895 35.786 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.595 36.156 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.661 35.212 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.661 35.972 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.430 35.019 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.214 37.471 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.034 38.554 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.307 38.179 -1.211 1.00 0.00 H new ATOM 1091 N TYR A 67 13.262 37.974 -1.474 1.00 0.00 N ATOM 1092 CA TYR A 67 13.739 38.787 -0.320 1.00 0.00 C ATOM 1093 C TYR A 67 14.956 39.610 -0.754 1.00 0.00 C ATOM 1094 O TYR A 67 15.381 39.555 -1.891 1.00 0.00 O ATOM 1095 CB TYR A 67 14.129 37.854 0.836 1.00 0.00 C ATOM 1096 CG TYR A 67 12.889 37.415 1.584 1.00 0.00 C ATOM 1097 CD1 TYR A 67 12.351 38.232 2.585 1.00 0.00 C ATOM 1098 CD2 TYR A 67 12.278 36.193 1.274 1.00 0.00 C ATOM 1099 CE1 TYR A 67 11.203 37.828 3.277 1.00 0.00 C ATOM 1100 CE2 TYR A 67 11.130 35.789 1.966 1.00 0.00 C ATOM 1101 CZ TYR A 67 10.592 36.607 2.967 1.00 0.00 C ATOM 1102 OH TYR A 67 9.460 36.209 3.649 1.00 0.00 O ATOM 0 H TYR A 67 13.538 36.992 -1.457 1.00 0.00 H new ATOM 0 HA TYR A 67 12.946 39.457 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.658 36.983 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 67 14.811 38.367 1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.822 39.174 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.693 35.563 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.789 38.458 4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.659 34.847 1.728 1.00 0.00 H new ATOM 0 HH TYR A 67 9.163 35.339 3.310 1.00 0.00 H new ATOM 1112 N ASP A 68 15.519 40.373 0.143 1.00 0.00 N ATOM 1113 CA ASP A 68 16.705 41.200 -0.218 1.00 0.00 C ATOM 1114 C ASP A 68 17.944 40.307 -0.316 1.00 0.00 C ATOM 1115 O ASP A 68 19.056 40.744 -0.095 1.00 0.00 O ATOM 1116 CB ASP A 68 16.928 42.268 0.856 1.00 0.00 C ATOM 1117 CG ASP A 68 16.799 41.633 2.242 1.00 0.00 C ATOM 1118 OD1 ASP A 68 15.713 41.183 2.566 1.00 0.00 O ATOM 1119 OD2 ASP A 68 17.789 41.610 2.955 1.00 0.00 O ATOM 0 H ASP A 68 15.209 40.459 1.111 1.00 0.00 H new ATOM 0 HA ASP A 68 16.531 41.682 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.915 42.715 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.199 43.071 0.743 1.00 0.00 H new ATOM 1124 N GLY A 69 17.762 39.056 -0.647 1.00 0.00 N ATOM 1125 CA GLY A 69 18.928 38.130 -0.762 1.00 0.00 C ATOM 1126 C GLY A 69 19.451 38.149 -2.198 1.00 0.00 C ATOM 1127 O GLY A 69 19.468 37.142 -2.878 1.00 0.00 O ATOM 0 H GLY A 69 16.854 38.634 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.716 38.432 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.632 37.118 -0.484 1.00 0.00 H new ATOM 1131 N GLY A 70 19.876 39.289 -2.663 1.00 0.00 N ATOM 1132 CA GLY A 70 20.397 39.382 -4.056 1.00 0.00 C ATOM 1133 C GLY A 70 20.360 40.840 -4.517 1.00 0.00 C ATOM 1134 O GLY A 70 19.536 41.225 -5.322 1.00 0.00 O ATOM 0 H GLY A 70 19.886 40.163 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.417 39.001 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.796 38.763 -4.723 1.00 0.00 H new ATOM 1138 N GLU A 71 21.252 41.654 -4.009 1.00 0.00 N ATOM 1139 CA GLU A 71 21.289 43.097 -4.406 1.00 0.00 C ATOM 1140 C GLU A 71 22.736 43.497 -4.692 1.00 0.00 C ATOM 1141 O GLU A 71 23.025 44.628 -5.030 1.00 0.00 O ATOM 1142 CB GLU A 71 20.742 43.953 -3.262 1.00 0.00 C ATOM 1143 CG GLU A 71 19.268 43.616 -3.031 1.00 0.00 C ATOM 1144 CD GLU A 71 18.758 44.371 -1.803 1.00 0.00 C ATOM 1145 OE1 GLU A 71 19.244 44.096 -0.719 1.00 0.00 O ATOM 1146 OE2 GLU A 71 17.890 45.213 -1.968 1.00 0.00 O ATOM 0 H GLU A 71 21.962 41.379 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 71 20.680 43.251 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 71 21.314 43.771 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 71 20.851 45.011 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.680 43.888 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.148 42.542 -2.887 1.00 0.00 H new ATOM 1153 N LEU A 72 23.646 42.573 -4.563 1.00 0.00 N ATOM 1154 CA LEU A 72 25.077 42.887 -4.830 1.00 0.00 C ATOM 1155 C LEU A 72 25.245 43.180 -6.325 1.00 0.00 C ATOM 1156 O LEU A 72 26.197 43.810 -6.742 1.00 0.00 O ATOM 1157 CB LEU A 72 25.965 41.687 -4.415 1.00 0.00 C ATOM 1158 CG LEU A 72 25.144 40.378 -4.439 1.00 0.00 C ATOM 1159 CD1 LEU A 72 26.075 39.182 -4.685 1.00 0.00 C ATOM 1160 CD2 LEU A 72 24.416 40.187 -3.094 1.00 0.00 C ATOM 0 H LEU A 72 23.460 41.610 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 72 25.382 43.758 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 72 26.815 41.604 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.369 41.853 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 72 24.410 40.440 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.490 38.263 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.582 39.306 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.815 39.127 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.840 39.262 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 72 25.148 40.136 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.744 41.028 -2.921 1.00 0.00 H new ATOM 1172 N ARG A 73 24.326 42.725 -7.131 1.00 0.00 N ATOM 1173 CA ARG A 73 24.425 42.973 -8.598 1.00 0.00 C ATOM 1174 C ARG A 73 24.534 44.477 -8.859 1.00 0.00 C ATOM 1175 O ARG A 73 24.781 45.257 -7.961 1.00 0.00 O ATOM 1176 CB ARG A 73 23.174 42.425 -9.295 1.00 0.00 C ATOM 1177 CG ARG A 73 21.930 43.196 -8.817 1.00 0.00 C ATOM 1178 CD ARG A 73 20.672 42.336 -8.993 1.00 0.00 C ATOM 1179 NE ARG A 73 20.756 41.551 -10.269 1.00 0.00 N ATOM 1180 CZ ARG A 73 20.961 42.136 -11.419 1.00 0.00 C ATOM 1181 NH1 ARG A 73 20.931 43.437 -11.516 1.00 0.00 N ATOM 1182 NH2 ARG A 73 21.146 41.411 -12.488 1.00 0.00 N ATOM 0 H ARG A 73 23.508 42.191 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 73 25.310 42.472 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 73 23.278 42.519 -10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 73 23.061 41.363 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 73 22.046 43.473 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 73 21.828 44.122 -9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 73 20.565 41.658 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.787 42.972 -9.006 1.00 0.00 H new ATOM 0 HE ARG A 73 20.651 40.537 -10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.746 44.006 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.092 43.885 -12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.130 40.393 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.306 41.862 -13.389 1.00 0.00 H new ATOM 1196 N ASN A 74 24.351 44.890 -10.083 1.00 0.00 N ATOM 1197 CA ASN A 74 24.445 46.344 -10.401 1.00 0.00 C ATOM 1198 C ASN A 74 23.443 47.119 -9.543 1.00 0.00 C ATOM 1199 O ASN A 74 22.276 46.785 -9.480 1.00 0.00 O ATOM 1200 CB ASN A 74 24.129 46.566 -11.882 1.00 0.00 C ATOM 1201 CG ASN A 74 22.872 45.780 -12.260 1.00 0.00 C ATOM 1202 OD1 ASN A 74 21.834 45.940 -11.648 1.00 0.00 O ATOM 1203 ND2 ASN A 74 22.920 44.933 -13.251 1.00 0.00 N ATOM 0 H ASN A 74 24.141 44.285 -10.876 1.00 0.00 H new ATOM 0 HA ASN A 74 25.454 46.697 -10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 74 23.979 47.628 -12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 24.970 46.244 -12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 22.087 44.406 -13.512 1.00 0.00 H new ATOM 0 HD22 ASN A 74 23.791 44.798 -13.765 1.00 0.00 H new ATOM 1210 N THR A 75 23.889 48.153 -8.879 1.00 0.00 N ATOM 1211 CA THR A 75 22.971 48.953 -8.022 1.00 0.00 C ATOM 1212 C THR A 75 23.456 50.405 -7.978 1.00 0.00 C ATOM 1213 O THR A 75 22.710 51.328 -8.239 1.00 0.00 O ATOM 1214 CB THR A 75 22.973 48.368 -6.607 1.00 0.00 C ATOM 1215 OG1 THR A 75 22.368 47.083 -6.628 1.00 0.00 O ATOM 1216 CG2 THR A 75 22.191 49.286 -5.669 1.00 0.00 C ATOM 0 H THR A 75 24.856 48.478 -8.895 1.00 0.00 H new ATOM 0 HA THR A 75 21.961 48.922 -8.430 1.00 0.00 H new ATOM 0 HB THR A 75 24.000 48.282 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 75 22.809 46.503 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.195 48.867 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.656 50.272 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.163 49.376 -6.021 1.00 0.00 H new ATOM 1224 N THR A 76 24.701 50.614 -7.648 1.00 0.00 N ATOM 1225 CA THR A 76 25.233 52.004 -7.585 1.00 0.00 C ATOM 1226 C THR A 76 24.878 52.749 -8.873 1.00 0.00 C ATOM 1227 O THR A 76 25.036 53.950 -8.970 1.00 0.00 O ATOM 1228 CB THR A 76 26.754 51.958 -7.424 1.00 0.00 C ATOM 1229 OG1 THR A 76 27.350 51.612 -8.667 1.00 0.00 O ATOM 1230 CG2 THR A 76 27.126 50.914 -6.369 1.00 0.00 C ATOM 0 H THR A 76 25.373 49.882 -7.419 1.00 0.00 H new ATOM 0 HA THR A 76 24.791 52.524 -6.735 1.00 0.00 H new ATOM 0 HB THR A 76 27.116 52.936 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 76 28.324 51.584 -8.566 1.00 0.00 H new ATOM 0 HG21 THR A 76 28.210 50.882 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 76 26.669 51.181 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.765 49.935 -6.683 1.00 0.00 H new ATOM 1238 N ARG A 77 24.399 52.048 -9.864 1.00 0.00 N ATOM 1239 CA ARG A 77 24.034 52.719 -11.144 1.00 0.00 C ATOM 1240 C ARG A 77 22.737 53.510 -10.954 1.00 0.00 C ATOM 1241 O ARG A 77 22.294 54.217 -11.837 1.00 0.00 O ATOM 1242 CB ARG A 77 23.839 51.662 -12.236 1.00 0.00 C ATOM 1243 CG ARG A 77 23.805 52.336 -13.612 1.00 0.00 C ATOM 1244 CD ARG A 77 23.826 51.267 -14.706 1.00 0.00 C ATOM 1245 NE ARG A 77 23.543 51.902 -16.024 1.00 0.00 N ATOM 1246 CZ ARG A 77 23.794 51.253 -17.128 1.00 0.00 C ATOM 1247 NH1 ARG A 77 24.292 50.048 -17.078 1.00 0.00 N ATOM 1248 NH2 ARG A 77 23.548 51.810 -18.283 1.00 0.00 N ATOM 0 H ARG A 77 24.245 51.040 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 77 24.832 53.401 -11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 77 24.649 50.933 -12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.911 51.117 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.909 52.950 -13.706 1.00 0.00 H new ATOM 0 HG3 ARG A 77 24.661 53.002 -13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 77 24.798 50.773 -14.729 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.083 50.498 -14.493 1.00 0.00 H new ATOM 0 HE ARG A 77 23.153 52.844 -16.063 1.00 0.00 H new ATOM 0 HH11 ARG A 77 24.485 49.613 -16.176 1.00 0.00 H new ATOM 0 HH12 ARG A 77 24.488 49.541 -17.941 1.00 0.00 H new ATOM 0 HH21 ARG A 77 23.160 52.752 -18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.744 51.303 -19.146 1.00 0.00 H new ATOM 1262 N GLN A 78 22.127 53.400 -9.806 1.00 0.00 N ATOM 1263 CA GLN A 78 20.860 54.147 -9.560 1.00 0.00 C ATOM 1264 C GLN A 78 19.871 53.859 -10.692 1.00 0.00 C ATOM 1265 O GLN A 78 19.075 54.699 -11.059 1.00 0.00 O ATOM 1266 CB GLN A 78 21.154 55.649 -9.508 1.00 0.00 C ATOM 1267 CG GLN A 78 22.199 55.928 -8.426 1.00 0.00 C ATOM 1268 CD GLN A 78 22.305 57.437 -8.195 1.00 0.00 C ATOM 1269 OE1 GLN A 78 23.110 58.103 -8.815 1.00 0.00 O ATOM 1270 NE2 GLN A 78 21.522 58.008 -7.321 1.00 0.00 N ATOM 0 H GLN A 78 22.450 52.826 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 78 20.429 53.829 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 78 21.517 55.993 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 78 20.239 56.202 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.921 55.426 -7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 78 23.166 55.527 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 78 20.846 57.449 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 78 21.586 59.013 -7.159 1.00 0.00 H new ATOM 1279 N CYS A 79 19.921 52.675 -11.245 1.00 0.00 N ATOM 1280 CA CYS A 79 18.989 52.314 -12.356 1.00 0.00 C ATOM 1281 C CYS A 79 18.886 53.473 -13.354 1.00 0.00 C ATOM 1282 O CYS A 79 19.784 54.282 -13.476 1.00 0.00 O ATOM 1283 CB CYS A 79 17.602 51.987 -11.782 1.00 0.00 C ATOM 1284 SG CYS A 79 16.689 53.513 -11.428 1.00 0.00 S ATOM 0 H CYS A 79 20.571 51.938 -10.973 1.00 0.00 H new ATOM 0 HA CYS A 79 19.376 51.438 -12.876 1.00 0.00 H new ATOM 0 HB2 CYS A 79 17.042 51.377 -12.491 1.00 0.00 H new ATOM 0 HB3 CYS A 79 17.708 51.399 -10.870 1.00 0.00 H new ATOM 0 HG CYS A 79 17.527 54.458 -11.121 1.00 0.00 H new ATOM 1290 N GLY A 80 17.796 53.558 -14.066 1.00 0.00 N ATOM 1291 CA GLY A 80 17.633 54.663 -15.054 1.00 0.00 C ATOM 1292 C GLY A 80 18.435 54.345 -16.317 1.00 0.00 C ATOM 1293 O GLY A 80 19.372 53.569 -16.221 1.00 0.00 O ATOM 1294 OXT GLY A 80 18.099 54.884 -17.359 1.00 0.00 O ATOM 0 H GLY A 80 17.011 52.910 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.579 54.790 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.974 55.604 -14.622 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 2.888 12.639 5.353 1.00 6.48 N ATOM 1300 CA GLY B 1 3.085 13.321 6.708 1.00 5.73 C ATOM 1301 C GLY B 1 4.462 13.609 7.196 1.00 4.94 C ATOM 1302 O GLY B 1 5.407 12.924 6.860 1.00 5.12 O ATOM 0 H1 GLY B 1 1.872 12.515 5.171 1.00 6.48 H new ATOM 0 H2 GLY B 1 3.305 13.228 4.604 1.00 6.48 H new ATOM 0 H3 GLY B 1 3.354 11.709 5.361 1.00 6.48 H new ATOM 0 HA2 GLY B 1 2.546 14.268 6.677 1.00 5.73 H new ATOM 0 HA3 GLY B 1 2.597 12.700 7.459 1.00 5.73 H new ATOM 1308 N SER B 2 4.615 14.627 7.999 1.00 4.43 N ATOM 1309 CA SER B 2 5.969 14.967 8.521 1.00 3.98 C ATOM 1310 C SER B 2 6.979 14.989 7.364 1.00 2.98 C ATOM 1311 O SER B 2 7.850 14.145 7.303 1.00 3.23 O ATOM 1312 CB SER B 2 6.397 13.911 9.541 1.00 4.81 C ATOM 1313 OG SER B 2 7.535 14.379 10.252 1.00 5.35 O ATOM 0 H SER B 2 3.862 15.237 8.316 1.00 4.43 H new ATOM 0 HA SER B 2 5.938 15.948 8.995 1.00 3.98 H new ATOM 0 HB2 SER B 2 5.581 13.706 10.233 1.00 4.81 H new ATOM 0 HB3 SER B 2 6.630 12.974 9.035 1.00 4.81 H new ATOM 0 HG SER B 2 7.811 13.705 10.908 1.00 5.35 H new ATOM 1319 N PRO B 3 6.841 15.949 6.473 1.00 2.36 N ATOM 1320 CA PRO B 3 7.752 16.062 5.321 1.00 2.03 C ATOM 1321 C PRO B 3 9.183 16.323 5.813 1.00 1.67 C ATOM 1322 O PRO B 3 9.530 17.426 6.187 1.00 2.17 O ATOM 1323 CB PRO B 3 7.208 17.254 4.495 1.00 2.59 C ATOM 1324 CG PRO B 3 5.971 17.822 5.253 1.00 2.98 C ATOM 1325 CD PRO B 3 5.783 16.981 6.537 1.00 2.84 C ATOM 0 HA PRO B 3 7.792 15.153 4.721 1.00 2.03 H new ATOM 0 HB2 PRO B 3 7.973 18.022 4.380 1.00 2.59 H new ATOM 0 HB3 PRO B 3 6.928 16.930 3.493 1.00 2.59 H new ATOM 0 HG2 PRO B 3 6.123 18.872 5.502 1.00 2.98 H new ATOM 0 HG3 PRO B 3 5.081 17.769 4.627 1.00 2.98 H new ATOM 0 HD2 PRO B 3 5.885 17.596 7.431 1.00 2.84 H new ATOM 0 HD3 PRO B 3 4.792 16.529 6.572 1.00 2.84 H new ATOM 1333 N LEU B 4 10.014 15.316 5.811 1.00 1.47 N ATOM 1334 CA LEU B 4 11.416 15.506 6.274 1.00 1.38 C ATOM 1335 C LEU B 4 11.410 16.232 7.623 1.00 1.11 C ATOM 1336 O LEU B 4 11.393 17.445 7.686 1.00 1.29 O ATOM 1337 CB LEU B 4 12.181 16.346 5.243 1.00 1.71 C ATOM 1338 CG LEU B 4 12.548 15.494 4.015 1.00 2.15 C ATOM 1339 CD1 LEU B 4 13.621 14.447 4.375 1.00 2.81 C ATOM 1340 CD2 LEU B 4 11.293 14.790 3.483 1.00 2.82 C ATOM 0 H LEU B 4 9.781 14.370 5.508 1.00 1.47 H new ATOM 0 HA LEU B 4 11.901 14.536 6.385 1.00 1.38 H new ATOM 0 HB2 LEU B 4 11.572 17.196 4.934 1.00 1.71 H new ATOM 0 HB3 LEU B 4 13.086 16.751 5.695 1.00 1.71 H new ATOM 0 HG LEU B 4 12.953 16.151 3.245 1.00 2.15 H new ATOM 0 HD11 LEU B 4 13.864 13.857 3.492 1.00 2.81 H new ATOM 0 HD12 LEU B 4 14.518 14.953 4.732 1.00 2.81 H new ATOM 0 HD13 LEU B 4 13.240 13.790 5.157 1.00 2.81 H new ATOM 0 HD21 LEU B 4 11.555 14.187 2.613 1.00 2.82 H new ATOM 0 HD22 LEU B 4 10.880 14.146 4.260 1.00 2.82 H new ATOM 0 HD23 LEU B 4 10.551 15.536 3.197 1.00 2.82 H new ATOM 1352 N GLY B 5 11.423 15.498 8.703 1.00 0.96 N ATOM 1353 CA GLY B 5 11.416 16.147 10.045 1.00 0.91 C ATOM 1354 C GLY B 5 12.619 17.084 10.171 1.00 0.71 C ATOM 1355 O GLY B 5 12.673 17.925 11.046 1.00 0.79 O ATOM 0 H GLY B 5 11.438 14.478 8.714 1.00 0.96 H new ATOM 0 HA2 GLY B 5 10.491 16.706 10.184 1.00 0.91 H new ATOM 0 HA3 GLY B 5 11.450 15.388 10.827 1.00 0.91 H new ATOM 1359 N GLN B 6 13.585 16.945 9.305 1.00 0.61 N ATOM 1360 CA GLN B 6 14.785 17.827 9.377 1.00 0.58 C ATOM 1361 C GLN B 6 14.345 19.287 9.519 1.00 0.45 C ATOM 1362 O GLN B 6 15.103 20.135 9.947 1.00 0.53 O ATOM 1363 CB GLN B 6 15.610 17.667 8.099 1.00 0.73 C ATOM 1364 CG GLN B 6 16.937 18.412 8.251 1.00 0.92 C ATOM 1365 CD GLN B 6 17.779 18.216 6.989 1.00 1.60 C ATOM 1366 OE1 GLN B 6 17.256 18.196 5.893 1.00 2.37 O ATOM 1367 NE2 GLN B 6 19.070 18.069 7.099 1.00 2.15 N ATOM 0 H GLN B 6 13.596 16.259 8.550 1.00 0.61 H new ATOM 0 HA GLN B 6 15.388 17.546 10.240 1.00 0.58 H new ATOM 0 HB2 GLN B 6 15.794 16.611 7.902 1.00 0.73 H new ATOM 0 HB3 GLN B 6 15.057 18.058 7.245 1.00 0.73 H new ATOM 0 HG2 GLN B 6 16.753 19.473 8.417 1.00 0.92 H new ATOM 0 HG3 GLN B 6 17.477 18.041 9.122 1.00 0.92 H new ATOM 0 HE21 GLN B 6 19.509 18.086 8.020 1.00 2.15 H new ATOM 0 HE22 GLN B 6 19.641 17.937 6.264 1.00 2.15 H new ATOM 1376 N ASP B 7 13.127 19.588 9.163 1.00 0.40 N ATOM 1377 CA ASP B 7 12.642 20.991 9.276 1.00 0.38 C ATOM 1378 C ASP B 7 12.718 21.444 10.736 1.00 0.33 C ATOM 1379 O ASP B 7 13.137 22.545 11.033 1.00 0.39 O ATOM 1380 CB ASP B 7 11.192 21.062 8.791 1.00 0.48 C ATOM 1381 CG ASP B 7 11.158 20.987 7.263 1.00 1.12 C ATOM 1382 OD1 ASP B 7 12.043 21.552 6.642 1.00 1.78 O ATOM 1383 OD2 ASP B 7 10.247 20.366 6.740 1.00 1.86 O ATOM 0 H ASP B 7 12.446 18.922 8.798 1.00 0.40 H new ATOM 0 HA ASP B 7 13.265 21.644 8.665 1.00 0.38 H new ATOM 0 HB2 ASP B 7 10.614 20.242 9.218 1.00 0.48 H new ATOM 0 HB3 ASP B 7 10.729 21.989 9.130 1.00 0.48 H new ATOM 1388 N VAL B 8 12.318 20.604 11.648 1.00 0.33 N ATOM 1389 CA VAL B 8 12.368 20.987 13.088 1.00 0.39 C ATOM 1390 C VAL B 8 13.818 21.270 13.489 1.00 0.36 C ATOM 1391 O VAL B 8 14.103 22.209 14.204 1.00 0.48 O ATOM 1392 CB VAL B 8 11.814 19.845 13.940 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.608 20.333 15.375 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.474 19.384 13.361 1.00 1.19 C ATOM 0 H VAL B 8 11.958 19.668 11.460 1.00 0.33 H new ATOM 0 HA VAL B 8 11.766 21.881 13.248 1.00 0.39 H new ATOM 0 HB VAL B 8 12.518 19.013 13.937 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.213 19.519 15.983 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.561 20.664 15.787 1.00 0.98 H new ATOM 0 HG13 VAL B 8 10.903 21.164 15.379 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.077 18.570 13.967 1.00 1.19 H new ATOM 0 HG22 VAL B 8 9.770 20.216 13.365 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.620 19.037 12.338 1.00 1.19 H new ATOM 1404 N PHE B 9 14.738 20.469 13.030 1.00 0.28 N ATOM 1405 CA PHE B 9 16.169 20.695 13.380 1.00 0.27 C ATOM 1406 C PHE B 9 16.538 22.147 13.073 1.00 0.25 C ATOM 1407 O PHE B 9 17.108 22.837 13.895 1.00 0.32 O ATOM 1408 CB PHE B 9 17.041 19.747 12.550 1.00 0.26 C ATOM 1409 CG PHE B 9 18.408 19.632 13.174 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.414 20.535 12.821 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.669 18.620 14.105 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.682 20.428 13.398 1.00 0.23 C ATOM 1413 CE2 PHE B 9 19.938 18.513 14.682 1.00 0.18 C ATOM 1414 CZ PHE B 9 20.944 19.419 14.327 1.00 0.20 C ATOM 0 H PHE B 9 14.561 19.666 12.426 1.00 0.28 H new ATOM 0 HA PHE B 9 16.331 20.501 14.440 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.573 18.764 12.493 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.127 20.118 11.529 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.212 21.315 12.102 1.00 0.23 H new ATOM 0 HD2 PHE B 9 17.891 17.922 14.377 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.460 21.126 13.125 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.142 17.733 15.400 1.00 0.18 H new ATOM 0 HZ PHE B 9 21.925 19.338 14.772 1.00 0.20 H new ATOM 1424 N LEU B 10 16.212 22.621 11.903 1.00 0.23 N ATOM 1425 CA LEU B 10 16.541 24.033 11.565 1.00 0.23 C ATOM 1426 C LEU B 10 15.810 24.956 12.539 1.00 0.24 C ATOM 1427 O LEU B 10 16.314 25.992 12.924 1.00 0.28 O ATOM 1428 CB LEU B 10 16.097 24.342 10.132 1.00 0.25 C ATOM 1429 CG LEU B 10 16.563 23.229 9.187 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.324 23.665 7.741 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.059 22.959 9.394 1.00 0.23 C ATOM 0 H LEU B 10 15.735 22.095 11.171 1.00 0.23 H new ATOM 0 HA LEU B 10 17.617 24.188 11.642 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.012 24.435 10.091 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.511 25.298 9.813 1.00 0.25 H new ATOM 0 HG LEU B 10 16.002 22.319 9.399 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.654 22.877 7.064 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.261 23.853 7.589 1.00 0.30 H new ATOM 0 HD13 LEU B 10 16.886 24.576 7.538 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.383 22.167 8.719 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.625 23.867 9.186 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.234 22.651 10.425 1.00 0.23 H new ATOM 1443 N ASP B 11 14.628 24.582 12.949 1.00 0.23 N ATOM 1444 CA ASP B 11 13.874 25.436 13.908 1.00 0.25 C ATOM 1445 C ASP B 11 14.767 25.715 15.117 1.00 0.22 C ATOM 1446 O ASP B 11 15.069 26.850 15.430 1.00 0.30 O ATOM 1447 CB ASP B 11 12.598 24.712 14.359 1.00 0.30 C ATOM 1448 CG ASP B 11 11.621 25.723 14.964 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.004 26.871 15.114 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.506 25.331 15.267 1.00 1.67 O ATOM 0 H ASP B 11 14.154 23.725 12.662 1.00 0.23 H new ATOM 0 HA ASP B 11 13.592 26.374 13.429 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.136 24.207 13.511 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.843 23.944 15.093 1.00 0.30 H new ATOM 1455 N TYR B 12 15.208 24.686 15.791 1.00 0.17 N ATOM 1456 CA TYR B 12 16.099 24.898 16.966 1.00 0.15 C ATOM 1457 C TYR B 12 17.272 25.770 16.523 1.00 0.16 C ATOM 1458 O TYR B 12 17.588 26.776 17.127 1.00 0.23 O ATOM 1459 CB TYR B 12 16.629 23.546 17.467 1.00 0.14 C ATOM 1460 CG TYR B 12 15.485 22.706 18.010 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.726 23.163 19.097 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.185 21.467 17.427 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.674 22.385 19.596 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.133 20.691 17.927 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.378 21.150 19.011 1.00 0.27 C ATOM 1466 OH TYR B 12 12.341 20.384 19.503 1.00 0.32 O ATOM 0 H TYR B 12 14.990 23.712 15.579 1.00 0.17 H new ATOM 0 HA TYR B 12 15.547 25.382 17.772 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.125 23.017 16.653 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.375 23.705 18.245 1.00 0.14 H new ATOM 0 HD1 TYR B 12 14.953 24.117 19.550 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.767 21.110 16.590 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.091 22.739 20.433 1.00 0.27 H new ATOM 0 HE2 TYR B 12 13.904 19.737 17.475 1.00 0.24 H new ATOM 0 HH TYR B 12 12.270 19.557 18.982 1.00 0.32 H new ATOM 1476 N CYS B 13 17.908 25.381 15.458 1.00 0.19 N ATOM 1477 CA CYS B 13 19.061 26.155 14.925 1.00 0.24 C ATOM 1478 C CYS B 13 18.708 27.648 14.886 1.00 0.26 C ATOM 1479 O CYS B 13 19.510 28.495 15.226 1.00 0.33 O ATOM 1480 CB CYS B 13 19.374 25.643 13.510 1.00 0.30 C ATOM 1481 SG CYS B 13 21.146 25.787 13.183 1.00 1.27 S ATOM 0 H CYS B 13 17.674 24.544 14.924 1.00 0.19 H new ATOM 0 HA CYS B 13 19.934 26.025 15.565 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.060 24.604 13.412 1.00 0.30 H new ATOM 0 HB3 CYS B 13 18.811 26.217 12.773 1.00 0.30 H new ATOM 0 HG CYS B 13 21.403 25.350 11.986 1.00 1.27 H new ATOM 1487 N GLN B 14 17.515 27.971 14.471 1.00 0.24 N ATOM 1488 CA GLN B 14 17.108 29.402 14.408 1.00 0.27 C ATOM 1489 C GLN B 14 17.279 30.041 15.787 1.00 0.24 C ATOM 1490 O GLN B 14 17.947 31.043 15.941 1.00 0.29 O ATOM 1491 CB GLN B 14 15.642 29.495 13.978 1.00 0.32 C ATOM 1492 CG GLN B 14 15.301 30.945 13.632 1.00 0.62 C ATOM 1493 CD GLN B 14 13.808 31.057 13.318 1.00 0.88 C ATOM 1494 OE1 GLN B 14 12.978 30.620 14.090 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.429 31.628 12.207 1.00 1.44 N ATOM 0 H GLN B 14 16.803 27.304 14.172 1.00 0.24 H new ATOM 0 HA GLN B 14 17.732 29.928 13.685 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.464 28.853 13.115 1.00 0.32 H new ATOM 0 HB3 GLN B 14 14.994 29.139 14.779 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.558 31.599 14.465 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.889 31.274 12.775 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.126 31.995 11.559 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.436 31.707 11.987 1.00 1.44 H new ATOM 1504 N LYS B 15 16.684 29.468 16.794 1.00 0.23 N ATOM 1505 CA LYS B 15 16.816 30.042 18.163 1.00 0.23 C ATOM 1506 C LYS B 15 18.296 30.258 18.486 1.00 0.20 C ATOM 1507 O LYS B 15 18.723 31.347 18.811 1.00 0.23 O ATOM 1508 CB LYS B 15 16.210 29.071 19.173 1.00 0.24 C ATOM 1509 CG LYS B 15 14.687 29.043 19.001 1.00 0.55 C ATOM 1510 CD LYS B 15 14.095 27.820 19.710 1.00 1.19 C ATOM 1511 CE LYS B 15 14.159 28.014 21.225 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.493 29.294 21.596 1.00 2.21 N ATOM 0 H LYS B 15 16.111 28.626 16.730 1.00 0.23 H new ATOM 0 HA LYS B 15 16.293 30.997 18.213 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.622 28.073 19.027 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.467 29.376 20.187 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.251 29.955 19.409 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.434 29.015 17.941 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.061 27.673 19.397 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.645 26.923 19.426 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.671 27.180 21.729 1.00 1.47 H new ATOM 0 HE3 LYS B 15 15.197 28.024 21.557 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.144 29.233 22.574 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 14.175 30.075 21.520 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 12.694 29.469 20.953 1.00 2.21 H new ATOM 1526 N LEU B 16 19.082 29.224 18.399 1.00 0.18 N ATOM 1527 CA LEU B 16 20.534 29.356 18.698 1.00 0.17 C ATOM 1528 C LEU B 16 21.105 30.557 17.926 1.00 0.18 C ATOM 1529 O LEU B 16 22.127 31.109 18.282 1.00 0.23 O ATOM 1530 CB LEU B 16 21.239 28.049 18.265 1.00 0.15 C ATOM 1531 CG LEU B 16 22.233 27.579 19.341 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.480 27.167 20.631 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.034 26.395 18.781 1.00 0.18 C ATOM 0 H LEU B 16 18.780 28.287 18.132 1.00 0.18 H new ATOM 0 HA LEU B 16 20.695 29.521 19.763 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.496 27.272 18.087 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.765 28.209 17.324 1.00 0.15 H new ATOM 0 HG LEU B 16 22.912 28.392 19.598 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.198 26.837 21.382 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.921 28.020 21.014 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.791 26.353 20.406 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.744 26.049 19.532 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.353 25.584 18.525 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.574 26.711 17.889 1.00 0.18 H new ATOM 1545 N LEU B 17 20.457 30.948 16.863 1.00 0.17 N ATOM 1546 CA LEU B 17 20.959 32.091 16.048 1.00 0.19 C ATOM 1547 C LEU B 17 20.508 33.429 16.651 1.00 0.22 C ATOM 1548 O LEU B 17 21.317 34.271 16.989 1.00 0.30 O ATOM 1549 CB LEU B 17 20.401 31.955 14.624 1.00 0.19 C ATOM 1550 CG LEU B 17 21.249 32.779 13.633 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.492 31.986 13.206 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.425 33.103 12.381 1.00 0.33 C ATOM 0 H LEU B 17 19.595 30.522 16.522 1.00 0.17 H new ATOM 0 HA LEU B 17 22.049 32.073 16.035 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.399 30.906 14.326 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.366 32.296 14.598 1.00 0.19 H new ATOM 0 HG LEU B 17 21.553 33.700 14.129 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.080 32.580 12.507 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.096 31.755 14.084 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.184 31.058 12.724 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.031 33.685 11.687 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.113 32.176 11.901 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.544 33.679 12.664 1.00 0.33 H new ATOM 1564 N GLU B 18 19.226 33.640 16.771 1.00 0.20 N ATOM 1565 CA GLU B 18 18.730 34.931 17.330 1.00 0.24 C ATOM 1566 C GLU B 18 19.276 35.137 18.745 1.00 0.22 C ATOM 1567 O GLU B 18 19.661 36.228 19.118 1.00 0.26 O ATOM 1568 CB GLU B 18 17.197 34.917 17.362 1.00 0.30 C ATOM 1569 CG GLU B 18 16.704 33.531 17.777 1.00 1.05 C ATOM 1570 CD GLU B 18 15.230 33.611 18.185 1.00 1.67 C ATOM 1571 OE1 GLU B 18 14.601 34.607 17.867 1.00 2.17 O ATOM 1572 OE2 GLU B 18 14.757 32.675 18.809 1.00 2.29 O ATOM 0 H GLU B 18 18.500 32.975 16.506 1.00 0.20 H new ATOM 0 HA GLU B 18 19.074 35.750 16.698 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.831 35.668 18.062 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.801 35.176 16.380 1.00 0.30 H new ATOM 0 HG2 GLU B 18 16.826 32.829 16.952 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.302 33.155 18.607 1.00 1.05 H new ATOM 1579 N LYS B 19 19.308 34.105 19.540 1.00 0.19 N ATOM 1580 CA LYS B 19 19.820 34.249 20.923 1.00 0.20 C ATOM 1581 C LYS B 19 21.225 34.857 20.886 1.00 0.19 C ATOM 1582 O LYS B 19 21.503 35.838 21.548 1.00 0.26 O ATOM 1583 CB LYS B 19 19.850 32.857 21.572 1.00 0.21 C ATOM 1584 CG LYS B 19 18.506 32.562 22.249 1.00 0.29 C ATOM 1585 CD LYS B 19 18.548 31.171 22.882 1.00 0.33 C ATOM 1586 CE LYS B 19 17.181 30.842 23.485 1.00 0.95 C ATOM 1587 NZ LYS B 19 17.250 29.531 24.189 1.00 1.68 N ATOM 0 H LYS B 19 19.000 33.166 19.287 1.00 0.19 H new ATOM 0 HA LYS B 19 19.176 34.909 21.505 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.060 32.100 20.817 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.654 32.807 22.306 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.298 33.314 23.011 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.699 32.616 21.518 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.815 30.427 22.132 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.316 31.135 23.654 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.881 31.625 24.181 1.00 0.95 H new ATOM 0 HE3 LYS B 19 16.425 30.806 22.701 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 16.357 29.015 24.051 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.037 28.971 23.803 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.404 29.690 25.205 1.00 1.68 H new ATOM 1601 N PHE B 20 22.110 34.293 20.113 1.00 0.15 N ATOM 1602 CA PHE B 20 23.487 34.847 20.028 1.00 0.15 C ATOM 1603 C PHE B 20 23.498 35.963 18.983 1.00 0.16 C ATOM 1604 O PHE B 20 24.538 36.434 18.565 1.00 0.25 O ATOM 1605 CB PHE B 20 24.447 33.728 19.623 1.00 0.14 C ATOM 1606 CG PHE B 20 24.740 32.859 20.827 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.779 31.939 21.262 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.959 32.977 21.516 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.031 31.136 22.378 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.207 32.173 22.635 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.244 31.253 23.064 1.00 0.14 C ATOM 0 H PHE B 20 21.937 33.470 19.535 1.00 0.15 H new ATOM 0 HA PHE B 20 23.801 35.251 20.990 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.009 33.128 18.825 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.372 34.151 19.232 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.841 31.849 20.734 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.703 33.686 21.183 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.289 30.425 22.710 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.142 32.263 23.167 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.438 30.632 23.926 1.00 0.14 H new ATOM 1621 N ARG B 21 22.336 36.393 18.572 1.00 0.15 N ATOM 1622 CA ARG B 21 22.239 37.490 17.564 1.00 0.17 C ATOM 1623 C ARG B 21 23.266 37.294 16.440 1.00 0.14 C ATOM 1624 O ARG B 21 23.914 38.231 16.019 1.00 0.18 O ATOM 1625 CB ARG B 21 22.494 38.832 18.255 1.00 0.23 C ATOM 1626 CG ARG B 21 21.353 39.128 19.231 1.00 0.58 C ATOM 1627 CD ARG B 21 21.492 40.556 19.761 1.00 1.16 C ATOM 1628 NE ARG B 21 22.932 40.864 19.987 1.00 1.87 N ATOM 1629 CZ ARG B 21 23.315 42.101 20.156 1.00 2.62 C ATOM 1630 NH1 ARG B 21 22.435 43.065 20.133 1.00 2.94 N ATOM 1631 NH2 ARG B 21 24.577 42.374 20.348 1.00 3.56 N ATOM 0 H ARG B 21 21.440 36.028 18.894 1.00 0.15 H new ATOM 0 HA ARG B 21 21.241 37.474 17.127 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.445 38.804 18.788 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.568 39.627 17.513 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.392 39.006 18.731 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.374 38.418 20.058 1.00 0.58 H new ATOM 0 HD2 ARG B 21 21.065 41.263 19.049 1.00 1.16 H new ATOM 0 HD3 ARG B 21 20.935 40.666 20.692 1.00 1.16 H new ATOM 0 HE ARG B 21 23.618 40.110 20.010 1.00 1.87 H new ATOM 0 HH11 ARG B 21 21.449 42.852 19.983 1.00 2.94 H new ATOM 0 HH12 ARG B 21 22.734 44.031 20.265 1.00 2.94 H new ATOM 0 HH21 ARG B 21 25.265 41.621 20.366 1.00 3.56 H new ATOM 0 HH22 ARG B 21 24.875 43.340 20.480 1.00 3.56 H new ATOM 1645 N TYR B 22 23.416 36.095 15.938 1.00 0.14 N ATOM 1646 CA TYR B 22 24.397 35.869 14.832 1.00 0.13 C ATOM 1647 C TYR B 22 23.699 36.166 13.478 1.00 0.15 C ATOM 1648 O TYR B 22 22.494 36.033 13.386 1.00 0.16 O ATOM 1649 CB TYR B 22 24.841 34.393 14.841 1.00 0.12 C ATOM 1650 CG TYR B 22 26.001 34.145 15.803 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.192 34.899 15.728 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.889 33.130 16.768 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.245 34.633 16.611 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.945 32.871 17.646 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.122 33.622 17.568 1.00 0.18 C ATOM 1656 OH TYR B 22 29.163 33.362 18.433 1.00 0.21 O ATOM 0 H TYR B 22 22.905 35.267 16.243 1.00 0.14 H new ATOM 0 HA TYR B 22 25.261 36.519 14.966 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.997 33.763 15.122 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.137 34.098 13.834 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.291 35.681 14.990 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.982 32.547 16.832 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.155 35.211 16.553 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.852 32.090 18.386 1.00 0.17 H new ATOM 0 HH TYR B 22 28.912 33.639 19.339 1.00 0.21 H new ATOM 1666 N PRO B 23 24.459 36.532 12.456 1.00 0.16 N ATOM 1667 CA PRO B 23 23.881 36.801 11.121 1.00 0.18 C ATOM 1668 C PRO B 23 23.226 35.525 10.560 1.00 0.19 C ATOM 1669 O PRO B 23 23.274 34.471 11.162 1.00 0.19 O ATOM 1670 CB PRO B 23 25.075 37.243 10.243 1.00 0.19 C ATOM 1671 CG PRO B 23 26.363 37.079 11.097 1.00 0.17 C ATOM 1672 CD PRO B 23 25.925 36.716 12.534 1.00 0.15 C ATOM 0 HA PRO B 23 23.104 37.565 11.152 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.133 36.636 9.340 1.00 0.19 H new ATOM 0 HB3 PRO B 23 24.955 38.278 9.924 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.001 36.299 10.682 1.00 0.17 H new ATOM 0 HG3 PRO B 23 26.944 38.001 11.095 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.418 35.807 12.879 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.186 37.507 13.237 1.00 0.15 H new ATOM 1680 N TRP B 24 22.612 35.626 9.413 1.00 0.22 N ATOM 1681 CA TRP B 24 21.942 34.439 8.796 1.00 0.24 C ATOM 1682 C TRP B 24 22.970 33.531 8.108 1.00 0.25 C ATOM 1683 O TRP B 24 22.673 32.409 7.752 1.00 0.34 O ATOM 1684 CB TRP B 24 20.920 34.925 7.762 1.00 0.28 C ATOM 1685 CG TRP B 24 20.331 33.752 7.043 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.546 33.451 5.742 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.438 32.724 7.559 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.844 32.301 5.427 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.145 31.816 6.515 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.862 32.493 8.820 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.308 30.717 6.714 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.019 31.388 9.025 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.743 30.502 7.974 1.00 0.63 C ATOM 0 H TRP B 24 22.544 36.487 8.870 1.00 0.22 H new ATOM 0 HA TRP B 24 21.445 33.867 9.579 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.132 35.494 8.255 1.00 0.28 H new ATOM 0 HB3 TRP B 24 21.400 35.596 7.050 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.165 34.016 5.060 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.843 31.865 4.505 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.069 33.169 9.636 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.099 30.038 5.901 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.581 31.220 9.998 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.094 29.654 8.138 1.00 0.63 H new ATOM 1704 N GLU B 25 24.164 34.007 7.892 1.00 0.21 N ATOM 1705 CA GLU B 25 25.184 33.165 7.199 1.00 0.24 C ATOM 1706 C GLU B 25 25.774 32.110 8.145 1.00 0.21 C ATOM 1707 O GLU B 25 26.409 31.171 7.707 1.00 0.24 O ATOM 1708 CB GLU B 25 26.312 34.062 6.684 1.00 0.31 C ATOM 1709 CG GLU B 25 27.313 33.218 5.894 1.00 1.20 C ATOM 1710 CD GLU B 25 28.231 34.136 5.086 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.092 35.342 5.215 1.00 1.86 O ATOM 1712 OE2 GLU B 25 29.056 33.619 4.352 1.00 1.99 O ATOM 0 H GLU B 25 24.479 34.938 8.163 1.00 0.21 H new ATOM 0 HA GLU B 25 24.696 32.650 6.371 1.00 0.24 H new ATOM 0 HB2 GLU B 25 25.904 34.850 6.051 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.812 34.552 7.520 1.00 0.31 H new ATOM 0 HG2 GLU B 25 27.903 32.604 6.574 1.00 1.20 H new ATOM 0 HG3 GLU B 25 26.784 32.537 5.227 1.00 1.20 H new ATOM 1719 N LEU B 26 25.597 32.255 9.435 1.00 0.16 N ATOM 1720 CA LEU B 26 26.182 31.254 10.388 1.00 0.15 C ATOM 1721 C LEU B 26 25.170 30.166 10.735 1.00 0.15 C ATOM 1722 O LEU B 26 25.218 29.590 11.805 1.00 0.19 O ATOM 1723 CB LEU B 26 26.607 31.955 11.678 1.00 0.13 C ATOM 1724 CG LEU B 26 27.394 33.229 11.361 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.089 33.707 12.634 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.446 32.952 10.279 1.00 0.14 C ATOM 0 H LEU B 26 25.077 33.017 9.870 1.00 0.16 H new ATOM 0 HA LEU B 26 27.044 30.795 9.903 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.727 32.202 12.272 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.219 31.283 12.280 1.00 0.13 H new ATOM 0 HG LEU B 26 26.709 33.994 10.994 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.654 34.615 12.421 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.342 33.915 13.400 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.768 32.933 12.991 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.997 33.868 10.065 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.137 32.186 10.631 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.952 32.605 9.371 1.00 0.14 H new ATOM 1738 N MET B 27 24.262 29.860 9.855 1.00 0.15 N ATOM 1739 CA MET B 27 23.280 28.793 10.175 1.00 0.17 C ATOM 1740 C MET B 27 23.969 27.400 10.183 1.00 0.14 C ATOM 1741 O MET B 27 23.626 26.580 11.011 1.00 0.19 O ATOM 1742 CB MET B 27 22.107 28.831 9.172 1.00 0.20 C ATOM 1743 CG MET B 27 21.066 29.862 9.629 1.00 0.39 C ATOM 1744 SD MET B 27 20.133 29.206 11.037 1.00 1.31 S ATOM 1745 CE MET B 27 19.244 27.896 10.158 1.00 0.45 C ATOM 0 H MET B 27 24.158 30.296 8.939 1.00 0.15 H new ATOM 0 HA MET B 27 22.880 28.971 11.173 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.474 29.087 8.178 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.648 27.845 9.098 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.560 30.792 9.910 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.388 30.096 8.809 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.266 27.749 10.617 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.116 28.181 9.114 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.814 26.969 10.214 1.00 0.45 H new ATOM 1755 N PRO B 28 24.922 27.148 9.287 1.00 0.09 N ATOM 1756 CA PRO B 28 25.621 25.838 9.256 1.00 0.09 C ATOM 1757 C PRO B 28 26.344 25.564 10.585 1.00 0.09 C ATOM 1758 O PRO B 28 26.390 24.447 11.054 1.00 0.14 O ATOM 1759 CB PRO B 28 26.623 25.957 8.084 1.00 0.10 C ATOM 1760 CG PRO B 28 26.230 27.231 7.293 1.00 0.12 C ATOM 1761 CD PRO B 28 25.379 28.093 8.241 1.00 0.12 C ATOM 0 HA PRO B 28 24.931 25.005 9.120 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.645 26.031 8.454 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.578 25.075 7.445 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.117 27.774 6.968 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.668 26.972 6.396 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.963 28.908 8.669 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.536 28.545 7.718 1.00 0.12 H new ATOM 1769 N LEU B 29 26.913 26.562 11.197 1.00 0.10 N ATOM 1770 CA LEU B 29 27.616 26.316 12.487 1.00 0.09 C ATOM 1771 C LEU B 29 26.573 26.034 13.564 1.00 0.10 C ATOM 1772 O LEU B 29 26.736 25.155 14.388 1.00 0.16 O ATOM 1773 CB LEU B 29 28.444 27.541 12.867 1.00 0.08 C ATOM 1774 CG LEU B 29 29.241 28.010 11.649 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.075 29.231 12.036 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.164 26.879 11.169 1.00 0.09 C ATOM 0 H LEU B 29 26.923 27.527 10.866 1.00 0.10 H new ATOM 0 HA LEU B 29 28.286 25.461 12.390 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.792 28.340 13.219 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.120 27.297 13.687 1.00 0.08 H new ATOM 0 HG LEU B 29 28.558 28.277 10.843 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.646 29.570 11.172 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.415 30.031 12.372 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.760 28.964 12.841 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.731 27.216 10.301 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.853 26.607 11.969 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.564 26.011 10.896 1.00 0.09 H new ATOM 1788 N MET B 30 25.489 26.757 13.549 1.00 0.10 N ATOM 1789 CA MET B 30 24.422 26.516 14.551 1.00 0.12 C ATOM 1790 C MET B 30 23.813 25.140 14.276 1.00 0.10 C ATOM 1791 O MET B 30 23.186 24.539 15.125 1.00 0.13 O ATOM 1792 CB MET B 30 23.340 27.588 14.398 1.00 0.16 C ATOM 1793 CG MET B 30 23.876 28.951 14.834 1.00 0.19 C ATOM 1794 SD MET B 30 24.237 28.932 16.609 1.00 1.23 S ATOM 1795 CE MET B 30 25.986 29.382 16.522 1.00 0.22 C ATOM 0 H MET B 30 25.298 27.506 12.883 1.00 0.10 H new ATOM 0 HA MET B 30 24.830 26.555 15.561 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.010 27.635 13.360 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.469 27.323 14.998 1.00 0.16 H new ATOM 0 HG2 MET B 30 24.779 29.193 14.273 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.144 29.728 14.611 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.388 29.477 17.531 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.534 28.609 15.984 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.092 30.332 15.999 1.00 0.22 H new ATOM 1805 N TYR B 31 23.998 24.645 13.081 1.00 0.08 N ATOM 1806 CA TYR B 31 23.440 23.314 12.716 1.00 0.08 C ATOM 1807 C TYR B 31 24.341 22.208 13.277 1.00 0.08 C ATOM 1808 O TYR B 31 23.873 21.179 13.722 1.00 0.09 O ATOM 1809 CB TYR B 31 23.370 23.209 11.185 1.00 0.09 C ATOM 1810 CG TYR B 31 23.061 21.793 10.770 1.00 0.09 C ATOM 1811 CD1 TYR B 31 24.101 20.871 10.604 1.00 0.10 C ATOM 1812 CD2 TYR B 31 21.738 21.405 10.547 1.00 0.10 C ATOM 1813 CE1 TYR B 31 23.816 19.558 10.216 1.00 0.11 C ATOM 1814 CE2 TYR B 31 21.451 20.092 10.161 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.489 19.167 9.995 1.00 0.11 C ATOM 1816 OH TYR B 31 22.206 17.872 9.612 1.00 0.13 O ATOM 0 H TYR B 31 24.517 25.112 12.337 1.00 0.08 H new ATOM 0 HA TYR B 31 22.441 23.200 13.136 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.603 23.883 10.802 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.318 23.524 10.749 1.00 0.09 H new ATOM 0 HD1 TYR B 31 25.123 21.174 10.776 1.00 0.10 H new ATOM 0 HD2 TYR B 31 20.937 22.119 10.673 1.00 0.10 H new ATOM 0 HE1 TYR B 31 24.618 18.846 10.087 1.00 0.11 H new ATOM 0 HE2 TYR B 31 20.428 19.791 9.991 1.00 0.11 H new ATOM 0 HH TYR B 31 21.238 17.768 9.502 1.00 0.13 H new ATOM 1826 N VAL B 32 25.630 22.411 13.256 1.00 0.08 N ATOM 1827 CA VAL B 32 26.558 21.371 13.783 1.00 0.08 C ATOM 1828 C VAL B 32 26.484 21.343 15.308 1.00 0.08 C ATOM 1829 O VAL B 32 26.273 20.309 15.911 1.00 0.10 O ATOM 1830 CB VAL B 32 27.992 21.698 13.355 1.00 0.08 C ATOM 1831 CG1 VAL B 32 28.942 20.608 13.866 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.066 21.779 11.824 1.00 0.08 C ATOM 0 H VAL B 32 26.081 23.252 12.896 1.00 0.08 H new ATOM 0 HA VAL B 32 26.269 20.398 13.385 1.00 0.08 H new ATOM 0 HB VAL B 32 28.288 22.658 13.779 1.00 0.08 H new ATOM 0 HG11 VAL B 32 29.962 20.842 13.561 1.00 0.08 H new ATOM 0 HG12 VAL B 32 28.890 20.561 14.954 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.650 19.645 13.447 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.087 22.012 11.521 1.00 0.08 H new ATOM 0 HG22 VAL B 32 27.769 20.822 11.394 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.395 22.561 11.468 1.00 0.08 H new ATOM 1842 N ILE B 33 26.661 22.473 15.935 1.00 0.08 N ATOM 1843 CA ILE B 33 26.607 22.529 17.422 1.00 0.08 C ATOM 1844 C ILE B 33 25.401 21.719 17.929 1.00 0.09 C ATOM 1845 O ILE B 33 25.548 20.816 18.729 1.00 0.10 O ATOM 1846 CB ILE B 33 26.514 23.998 17.839 1.00 0.08 C ATOM 1847 CG1 ILE B 33 27.817 24.698 17.432 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.332 24.110 19.349 1.00 0.09 C ATOM 1849 CD1 ILE B 33 27.717 26.214 17.648 1.00 0.08 C ATOM 0 H ILE B 33 26.842 23.366 15.477 1.00 0.08 H new ATOM 0 HA ILE B 33 27.503 22.090 17.861 1.00 0.08 H new ATOM 0 HB ILE B 33 25.659 24.464 17.350 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.646 24.298 18.015 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.034 24.490 16.384 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.267 25.161 19.631 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.416 23.598 19.644 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.182 23.651 19.853 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.654 26.686 17.352 1.00 0.08 H new ATOM 0 HD12 ILE B 33 26.902 26.614 17.045 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.524 26.420 18.701 1.00 0.08 H new ATOM 1861 N LEU B 34 24.218 22.009 17.454 1.00 0.08 N ATOM 1862 CA LEU B 34 23.022 21.226 17.892 1.00 0.09 C ATOM 1863 C LEU B 34 23.231 19.753 17.496 1.00 0.12 C ATOM 1864 O LEU B 34 22.937 18.853 18.254 1.00 0.16 O ATOM 1865 CB LEU B 34 21.771 21.808 17.173 1.00 0.10 C ATOM 1866 CG LEU B 34 20.862 22.719 18.078 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.600 23.316 19.293 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.306 23.871 17.228 1.00 0.11 C ATOM 0 H LEU B 34 24.027 22.753 16.783 1.00 0.08 H new ATOM 0 HA LEU B 34 22.882 21.289 18.971 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.100 22.388 16.311 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.170 20.982 16.791 1.00 0.10 H new ATOM 0 HG LEU B 34 20.069 22.081 18.467 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.911 23.932 19.870 1.00 0.10 H new ATOM 0 HD12 LEU B 34 21.979 22.510 19.921 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.433 23.929 18.948 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.674 24.508 17.847 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.132 24.459 16.827 1.00 0.11 H new ATOM 0 HD23 LEU B 34 19.717 23.465 16.406 1.00 0.11 H new ATOM 1880 N LYS B 35 23.733 19.503 16.319 1.00 0.13 N ATOM 1881 CA LYS B 35 23.952 18.090 15.888 1.00 0.17 C ATOM 1882 C LYS B 35 24.819 17.368 16.921 1.00 0.19 C ATOM 1883 O LYS B 35 24.682 16.181 17.139 1.00 0.28 O ATOM 1884 CB LYS B 35 24.654 18.077 14.526 1.00 0.16 C ATOM 1885 CG LYS B 35 24.595 16.671 13.918 1.00 0.19 C ATOM 1886 CD LYS B 35 25.042 16.730 12.455 1.00 0.26 C ATOM 1887 CE LYS B 35 25.017 15.323 11.852 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.193 14.550 12.345 1.00 1.58 N ATOM 0 H LYS B 35 24.001 20.212 15.637 1.00 0.13 H new ATOM 0 HA LYS B 35 22.992 17.581 15.806 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.178 18.792 13.855 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.692 18.389 14.640 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.238 15.993 14.479 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.581 16.276 13.984 1.00 0.19 H new ATOM 0 HD2 LYS B 35 24.384 17.390 11.890 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.047 17.147 12.388 1.00 0.26 H new ATOM 0 HE2 LYS B 35 24.093 14.814 12.127 1.00 0.70 H new ATOM 0 HE3 LYS B 35 25.037 15.382 10.764 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.273 13.661 11.811 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 27.058 15.112 12.213 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 26.070 14.337 13.355 1.00 1.58 H new ATOM 1902 N ASP B 36 25.710 18.075 17.559 1.00 0.23 N ATOM 1903 CA ASP B 36 26.587 17.432 18.580 1.00 0.28 C ATOM 1904 C ASP B 36 25.889 17.447 19.942 1.00 0.26 C ATOM 1905 O ASP B 36 25.912 16.480 20.677 1.00 0.39 O ATOM 1906 CB ASP B 36 27.900 18.216 18.677 1.00 0.34 C ATOM 1907 CG ASP B 36 28.812 17.844 17.505 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.057 16.664 17.322 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.249 18.747 16.811 1.00 1.92 O ATOM 0 H ASP B 36 25.870 19.072 17.418 1.00 0.23 H new ATOM 0 HA ASP B 36 26.790 16.401 18.289 1.00 0.28 H new ATOM 0 HB2 ASP B 36 27.697 19.287 18.666 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.397 17.995 19.621 1.00 0.34 H new ATOM 1914 N ALA B 37 25.287 18.549 20.287 1.00 0.21 N ATOM 1915 CA ALA B 37 24.603 18.655 21.605 1.00 0.21 C ATOM 1916 C ALA B 37 23.261 17.934 21.570 1.00 0.20 C ATOM 1917 O ALA B 37 22.299 18.382 22.161 1.00 0.24 O ATOM 1918 CB ALA B 37 24.356 20.127 21.912 1.00 0.22 C ATOM 0 H ALA B 37 25.239 19.388 19.708 1.00 0.21 H new ATOM 0 HA ALA B 37 25.233 18.199 22.369 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.855 20.219 22.876 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.308 20.656 21.946 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.728 20.561 21.134 1.00 0.22 H new ATOM 1924 N ASP B 38 23.166 16.838 20.879 1.00 0.20 N ATOM 1925 CA ASP B 38 21.859 16.133 20.822 1.00 0.21 C ATOM 1926 C ASP B 38 20.796 17.143 20.381 1.00 0.18 C ATOM 1927 O ASP B 38 19.609 16.927 20.518 1.00 0.21 O ATOM 1928 CB ASP B 38 21.523 15.582 22.217 1.00 0.28 C ATOM 1929 CG ASP B 38 20.557 14.399 22.094 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.958 14.254 21.041 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.435 13.659 23.056 1.00 1.86 O ATOM 0 H ASP B 38 23.926 16.403 20.356 1.00 0.20 H new ATOM 0 HA ASP B 38 21.895 15.302 20.117 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.436 15.266 22.722 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.076 16.366 22.829 1.00 0.28 H new ATOM 1936 N ALA B 39 21.243 18.252 19.863 1.00 0.14 N ATOM 1937 CA ALA B 39 20.322 19.321 19.405 1.00 0.14 C ATOM 1938 C ALA B 39 19.596 19.936 20.602 1.00 0.15 C ATOM 1939 O ALA B 39 18.619 20.643 20.450 1.00 0.18 O ATOM 1940 CB ALA B 39 19.313 18.753 18.411 1.00 0.16 C ATOM 0 H ALA B 39 22.233 18.464 19.736 1.00 0.14 H new ATOM 0 HA ALA B 39 20.902 20.099 18.909 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.642 19.546 18.081 1.00 0.16 H new ATOM 0 HB2 ALA B 39 19.841 18.343 17.550 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.734 17.964 18.891 1.00 0.16 H new ATOM 1946 N ASN B 40 20.071 19.688 21.792 1.00 0.15 N ATOM 1947 CA ASN B 40 19.411 20.275 22.993 1.00 0.18 C ATOM 1948 C ASN B 40 19.930 21.700 23.191 1.00 0.15 C ATOM 1949 O ASN B 40 20.987 21.915 23.750 1.00 0.15 O ATOM 1950 CB ASN B 40 19.747 19.431 24.224 1.00 0.23 C ATOM 1951 CG ASN B 40 18.810 19.807 25.373 1.00 0.91 C ATOM 1952 OD1 ASN B 40 17.928 20.752 25.199 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 18.882 19.234 26.442 1.00 1.32 N flip ATOM 0 H ASN B 40 20.886 19.106 21.985 1.00 0.15 H new ATOM 0 HA ASN B 40 18.330 20.290 22.854 1.00 0.18 H new ATOM 0 HB2 ASN B 40 19.645 18.371 23.990 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.784 19.595 24.518 1.00 0.23 H new ATOM 0 HD21 ASN B 40 19.571 18.495 26.579 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.253 19.492 27.202 1.00 1.32 H new ATOM 1960 N ILE B 41 19.199 22.674 22.727 1.00 0.15 N ATOM 1961 CA ILE B 41 19.652 24.085 22.875 1.00 0.15 C ATOM 1962 C ILE B 41 20.102 24.343 24.317 1.00 0.15 C ATOM 1963 O ILE B 41 21.128 24.947 24.555 1.00 0.14 O ATOM 1964 CB ILE B 41 18.504 25.024 22.489 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.330 24.963 20.962 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.837 26.456 22.935 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.160 25.840 20.516 1.00 0.24 C ATOM 0 H ILE B 41 18.305 22.554 22.250 1.00 0.15 H new ATOM 0 HA ILE B 41 20.500 24.271 22.216 1.00 0.15 H new ATOM 0 HB ILE B 41 17.578 24.720 22.978 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.246 25.294 20.473 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.158 23.932 20.652 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.019 27.122 22.660 1.00 0.21 H new ATOM 0 HG22 ILE B 41 18.974 26.478 24.016 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.754 26.785 22.446 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.054 25.782 19.433 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.242 25.491 20.989 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.348 26.873 20.808 1.00 0.24 H new ATOM 1979 N GLU B 42 19.349 23.894 25.277 1.00 0.17 N ATOM 1980 CA GLU B 42 19.738 24.118 26.689 1.00 0.17 C ATOM 1981 C GLU B 42 21.148 23.587 26.908 1.00 0.16 C ATOM 1982 O GLU B 42 21.882 24.101 27.712 1.00 0.18 O ATOM 1983 CB GLU B 42 18.762 23.389 27.613 1.00 0.20 C ATOM 1984 CG GLU B 42 17.410 24.104 27.594 1.00 0.30 C ATOM 1985 CD GLU B 42 16.417 23.343 28.473 1.00 1.03 C ATOM 1986 OE1 GLU B 42 15.761 22.453 27.958 1.00 1.78 O ATOM 1987 OE2 GLU B 42 16.329 23.663 29.647 1.00 1.65 O ATOM 0 H GLU B 42 18.478 23.380 25.142 1.00 0.17 H new ATOM 0 HA GLU B 42 19.710 25.184 26.913 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.643 22.355 27.290 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.157 23.363 28.629 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.522 25.126 27.955 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.034 24.166 26.573 1.00 0.30 H new ATOM 1994 N GLU B 43 21.536 22.564 26.194 1.00 0.16 N ATOM 1995 CA GLU B 43 22.915 22.014 26.363 1.00 0.16 C ATOM 1996 C GLU B 43 23.872 22.758 25.426 1.00 0.14 C ATOM 1997 O GLU B 43 24.903 23.251 25.837 1.00 0.20 O ATOM 1998 CB GLU B 43 22.918 20.519 26.017 1.00 0.18 C ATOM 1999 CG GLU B 43 24.179 19.850 26.587 1.00 0.30 C ATOM 2000 CD GLU B 43 23.976 19.533 28.071 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.952 20.463 28.859 1.00 1.89 O ATOM 2002 OE2 GLU B 43 23.849 18.363 28.394 1.00 1.96 O ATOM 0 H GLU B 43 20.960 22.085 25.502 1.00 0.16 H new ATOM 0 HA GLU B 43 23.237 22.145 27.396 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.027 20.041 26.425 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.884 20.388 24.935 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.395 18.934 26.037 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.039 20.508 26.461 1.00 0.30 H new ATOM 2009 N ALA B 44 23.537 22.835 24.166 1.00 0.12 N ATOM 2010 CA ALA B 44 24.425 23.539 23.194 1.00 0.12 C ATOM 2011 C ALA B 44 24.744 24.951 23.705 1.00 0.12 C ATOM 2012 O ALA B 44 25.852 25.430 23.575 1.00 0.14 O ATOM 2013 CB ALA B 44 23.720 23.628 21.827 1.00 0.13 C ATOM 0 H ALA B 44 22.685 22.440 23.767 1.00 0.12 H new ATOM 0 HA ALA B 44 25.356 22.981 23.088 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.367 24.142 21.116 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.506 22.624 21.462 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.787 24.182 21.934 1.00 0.13 H new ATOM 2019 N SER B 45 23.780 25.625 24.268 1.00 0.12 N ATOM 2020 CA SER B 45 24.032 27.009 24.766 1.00 0.16 C ATOM 2021 C SER B 45 25.322 27.042 25.589 1.00 0.15 C ATOM 2022 O SER B 45 26.239 27.783 25.295 1.00 0.16 O ATOM 2023 CB SER B 45 22.861 27.459 25.642 1.00 0.19 C ATOM 2024 OG SER B 45 23.081 27.025 26.978 1.00 0.82 O ATOM 0 H SER B 45 22.830 25.280 24.405 1.00 0.12 H new ATOM 0 HA SER B 45 24.132 27.681 23.913 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.765 28.544 25.611 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.927 27.045 25.262 1.00 0.19 H new ATOM 0 HG SER B 45 22.334 27.313 27.543 1.00 0.82 H new ATOM 2030 N ARG B 46 25.397 26.252 26.622 1.00 0.17 N ATOM 2031 CA ARG B 46 26.622 26.244 27.470 1.00 0.20 C ATOM 2032 C ARG B 46 27.864 26.086 26.591 1.00 0.17 C ATOM 2033 O ARG B 46 28.853 26.769 26.775 1.00 0.23 O ATOM 2034 CB ARG B 46 26.540 25.080 28.467 1.00 0.24 C ATOM 2035 CG ARG B 46 25.386 25.314 29.473 1.00 0.84 C ATOM 2036 CD ARG B 46 24.074 24.663 28.977 1.00 1.21 C ATOM 2037 NE ARG B 46 23.683 23.529 29.874 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.521 22.594 30.265 1.00 2.08 C ATOM 2039 NH1 ARG B 46 25.765 22.592 29.885 1.00 2.50 N ATOM 2040 NH2 ARG B 46 24.094 21.645 31.053 1.00 2.80 N ATOM 0 H ARG B 46 24.662 25.610 26.917 1.00 0.17 H new ATOM 0 HA ARG B 46 26.692 27.186 28.014 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.380 24.144 27.931 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.484 24.984 29.003 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.657 24.900 30.444 1.00 0.84 H new ATOM 0 HG3 ARG B 46 25.234 26.384 29.614 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.278 25.407 28.953 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.203 24.301 27.957 1.00 1.21 H new ATOM 0 HE ARG B 46 22.717 23.479 30.198 1.00 1.63 H new ATOM 0 HH11 ARG B 46 26.111 23.328 29.269 1.00 2.50 H new ATOM 0 HH12 ARG B 46 26.394 21.855 30.203 1.00 2.50 H new ATOM 0 HH21 ARG B 46 23.121 21.635 31.358 1.00 2.80 H new ATOM 0 HH22 ARG B 46 24.734 20.914 31.364 1.00 2.80 H new ATOM 2054 N ARG B 47 27.827 25.199 25.639 1.00 0.13 N ATOM 2055 CA ARG B 47 29.015 25.014 24.758 1.00 0.12 C ATOM 2056 C ARG B 47 29.403 26.358 24.146 1.00 0.11 C ATOM 2057 O ARG B 47 30.493 26.856 24.348 1.00 0.12 O ATOM 2058 CB ARG B 47 28.680 24.033 23.635 1.00 0.15 C ATOM 2059 CG ARG B 47 28.167 22.719 24.228 1.00 0.32 C ATOM 2060 CD ARG B 47 28.136 21.642 23.140 1.00 0.54 C ATOM 2061 NE ARG B 47 27.859 20.320 23.768 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.526 19.297 23.029 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.426 19.431 21.734 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.293 18.140 23.585 1.00 1.62 N ATOM 0 H ARG B 47 27.031 24.596 25.432 1.00 0.13 H new ATOM 0 HA ARG B 47 29.842 24.621 25.349 1.00 0.12 H new ATOM 0 HB2 ARG B 47 27.926 24.464 22.977 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.565 23.847 23.027 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.811 22.403 25.049 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.169 22.860 24.642 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.369 21.876 22.402 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.089 21.615 22.611 1.00 0.54 H new ATOM 0 HE ARG B 47 27.930 20.214 24.780 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.608 20.336 21.299 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.166 18.631 21.157 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.371 18.035 24.597 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.033 17.340 23.008 1.00 1.62 H new ATOM 2078 N ILE B 48 28.513 26.951 23.405 1.00 0.10 N ATOM 2079 CA ILE B 48 28.814 28.269 22.781 1.00 0.09 C ATOM 2080 C ILE B 48 29.278 29.233 23.867 1.00 0.10 C ATOM 2081 O ILE B 48 30.372 29.760 23.821 1.00 0.10 O ATOM 2082 CB ILE B 48 27.556 28.810 22.107 1.00 0.10 C ATOM 2083 CG1 ILE B 48 26.959 27.711 21.219 1.00 0.10 C ATOM 2084 CG2 ILE B 48 27.927 30.029 21.259 1.00 0.10 C ATOM 2085 CD1 ILE B 48 25.745 28.250 20.468 1.00 0.10 C ATOM 0 H ILE B 48 27.585 26.579 23.203 1.00 0.10 H new ATOM 0 HA ILE B 48 29.598 28.159 22.032 1.00 0.09 H new ATOM 0 HB ILE B 48 26.822 29.107 22.856 1.00 0.10 H new ATOM 0 HG12 ILE B 48 27.708 27.358 20.510 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.669 26.856 21.830 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.033 30.421 20.774 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.360 30.799 21.898 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.653 29.737 20.500 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.327 27.463 19.840 1.00 0.10 H new ATOM 0 HD12 ILE B 48 24.992 28.581 21.183 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.047 29.091 19.844 1.00 0.10 H new ATOM 2097 N GLU B 49 28.458 29.455 24.855 1.00 0.10 N ATOM 2098 CA GLU B 49 28.855 30.373 25.961 1.00 0.11 C ATOM 2099 C GLU B 49 30.240 29.981 26.454 1.00 0.11 C ATOM 2100 O GLU B 49 31.182 30.745 26.381 1.00 0.12 O ATOM 2101 CB GLU B 49 27.883 30.214 27.118 1.00 0.13 C ATOM 2102 CG GLU B 49 26.506 30.766 26.734 1.00 0.14 C ATOM 2103 CD GLU B 49 25.679 31.011 27.999 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.200 30.043 28.566 1.00 1.10 O ATOM 2105 OE2 GLU B 49 25.541 32.162 28.379 1.00 1.07 O ATOM 0 H GLU B 49 27.530 29.041 24.946 1.00 0.10 H new ATOM 0 HA GLU B 49 28.850 31.401 25.600 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.798 29.162 27.389 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.261 30.739 27.995 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.619 31.695 26.175 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.990 30.062 26.081 1.00 0.14 H new ATOM 2112 N GLU B 50 30.373 28.776 26.938 1.00 0.12 N ATOM 2113 CA GLU B 50 31.699 28.311 27.417 1.00 0.12 C ATOM 2114 C GLU B 50 32.702 28.575 26.307 1.00 0.11 C ATOM 2115 O GLU B 50 33.886 28.664 26.527 1.00 0.11 O ATOM 2116 CB GLU B 50 31.646 26.813 27.723 1.00 0.14 C ATOM 2117 CG GLU B 50 32.982 26.366 28.320 1.00 0.17 C ATOM 2118 CD GLU B 50 32.928 24.869 28.632 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.212 24.500 29.548 1.00 1.78 O ATOM 2120 OE2 GLU B 50 33.604 24.117 27.949 1.00 1.97 O ATOM 0 H GLU B 50 29.618 28.095 27.021 1.00 0.12 H new ATOM 0 HA GLU B 50 31.985 28.837 28.328 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.835 26.602 28.420 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.437 26.252 26.812 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.792 26.573 27.621 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.193 26.930 29.229 1.00 0.17 H new ATOM 2127 N GLY B 51 32.213 28.722 25.110 1.00 0.10 N ATOM 2128 CA GLY B 51 33.121 29.004 23.960 1.00 0.09 C ATOM 2129 C GLY B 51 33.461 30.494 23.966 1.00 0.09 C ATOM 2130 O GLY B 51 34.609 30.882 24.064 1.00 0.10 O ATOM 0 H GLY B 51 31.222 28.659 24.875 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.030 28.408 24.040 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.640 28.729 23.021 1.00 0.09 H new ATOM 2134 N GLN B 52 32.463 31.332 23.884 1.00 0.10 N ATOM 2135 CA GLN B 52 32.705 32.805 23.909 1.00 0.11 C ATOM 2136 C GLN B 52 33.651 33.123 25.059 1.00 0.11 C ATOM 2137 O GLN B 52 34.609 33.856 24.912 1.00 0.13 O ATOM 2138 CB GLN B 52 31.372 33.526 24.119 1.00 0.13 C ATOM 2139 CG GLN B 52 30.405 33.121 23.005 1.00 0.19 C ATOM 2140 CD GLN B 52 30.853 33.756 21.689 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.243 33.435 20.583 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 31.770 34.554 21.668 1.00 0.74 N flip ATOM 0 H GLN B 52 31.484 31.058 23.800 1.00 0.10 H new ATOM 0 HA GLN B 52 33.147 33.134 22.969 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.954 33.268 25.092 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.523 34.605 24.112 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.379 32.036 22.908 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.393 33.443 23.251 1.00 0.19 H new ATOM 0 HE21 GLN B 52 32.247 34.805 22.534 1.00 0.74 H new ATOM 0 HE22 GLN B 52 32.062 34.972 20.785 1.00 0.74 H new ATOM 2151 N TYR B 53 33.392 32.560 26.200 1.00 0.11 N ATOM 2152 CA TYR B 53 34.284 32.809 27.366 1.00 0.13 C ATOM 2153 C TYR B 53 35.710 32.361 27.004 1.00 0.13 C ATOM 2154 O TYR B 53 36.669 33.063 27.255 1.00 0.16 O ATOM 2155 CB TYR B 53 33.764 32.031 28.593 1.00 0.14 C ATOM 2156 CG TYR B 53 34.866 31.880 29.624 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.833 30.890 29.450 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.925 32.728 30.735 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.864 30.738 30.376 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.959 32.580 31.670 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.930 31.585 31.490 1.00 0.25 C ATOM 2162 OH TYR B 53 37.949 31.439 32.410 1.00 0.30 O ATOM 0 H TYR B 53 32.603 31.939 26.379 1.00 0.11 H new ATOM 0 HA TYR B 53 34.294 33.871 27.612 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.915 32.555 29.032 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.407 31.048 28.285 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.783 30.236 28.592 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.176 33.494 30.872 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.610 29.970 30.235 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.008 33.233 32.529 1.00 0.26 H new ATOM 0 HH TYR B 53 37.847 32.107 33.120 1.00 0.30 H new ATOM 2172 N VAL B 54 35.859 31.199 26.420 1.00 0.11 N ATOM 2173 CA VAL B 54 37.230 30.727 26.055 1.00 0.12 C ATOM 2174 C VAL B 54 37.890 31.768 25.156 1.00 0.12 C ATOM 2175 O VAL B 54 38.886 32.364 25.502 1.00 0.13 O ATOM 2176 CB VAL B 54 37.166 29.391 25.289 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.588 29.008 24.860 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.569 28.260 26.171 1.00 0.12 C ATOM 0 H VAL B 54 35.099 30.562 26.182 1.00 0.11 H new ATOM 0 HA VAL B 54 37.802 30.584 26.972 1.00 0.12 H new ATOM 0 HB VAL B 54 36.519 29.514 24.420 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.562 28.064 24.316 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.996 29.787 24.216 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.218 28.901 25.743 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.538 27.332 25.601 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.191 28.122 27.056 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.559 28.532 26.477 1.00 0.12 H new ATOM 2188 N VAL B 55 37.344 31.981 23.996 1.00 0.11 N ATOM 2189 CA VAL B 55 37.938 32.972 23.061 1.00 0.11 C ATOM 2190 C VAL B 55 38.104 34.318 23.771 1.00 0.14 C ATOM 2191 O VAL B 55 39.171 34.896 23.785 1.00 0.17 O ATOM 2192 CB VAL B 55 37.014 33.135 21.852 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.665 34.074 20.836 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.782 31.766 21.209 1.00 0.10 C ATOM 0 H VAL B 55 36.507 31.509 23.653 1.00 0.11 H new ATOM 0 HA VAL B 55 38.916 32.623 22.730 1.00 0.11 H new ATOM 0 HB VAL B 55 36.061 33.555 22.172 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.007 34.190 19.975 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.835 35.047 21.297 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.617 33.655 20.511 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.124 31.876 20.347 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.736 31.349 20.887 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.320 31.097 21.935 1.00 0.10 H new ATOM 2204 N ASN B 56 37.054 34.822 24.353 1.00 0.16 N ATOM 2205 CA ASN B 56 37.144 36.136 25.055 1.00 0.20 C ATOM 2206 C ASN B 56 38.141 36.055 26.218 1.00 0.22 C ATOM 2207 O ASN B 56 38.922 36.959 26.438 1.00 0.31 O ATOM 2208 CB ASN B 56 35.766 36.518 25.600 1.00 0.26 C ATOM 2209 CG ASN B 56 35.849 37.883 26.288 1.00 0.52 C ATOM 2210 OD1 ASN B 56 36.781 38.151 27.021 1.00 1.35 O ATOM 2211 ND2 ASN B 56 34.908 38.764 26.082 1.00 0.91 N ATOM 0 H ASN B 56 36.134 34.382 24.374 1.00 0.16 H new ATOM 0 HA ASN B 56 37.487 36.889 24.345 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.039 36.552 24.789 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.421 35.763 26.307 1.00 0.26 H new ATOM 0 HD21 ASN B 56 34.955 39.676 26.536 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.126 38.540 25.467 1.00 0.91 H new ATOM 2218 N GLU B 57 38.112 34.991 26.974 1.00 0.19 N ATOM 2219 CA GLU B 57 39.050 34.874 28.131 1.00 0.22 C ATOM 2220 C GLU B 57 40.440 34.454 27.648 1.00 0.22 C ATOM 2221 O GLU B 57 41.431 35.073 27.971 1.00 0.27 O ATOM 2222 CB GLU B 57 38.517 33.827 29.116 1.00 0.25 C ATOM 2223 CG GLU B 57 39.352 33.847 30.404 1.00 0.55 C ATOM 2224 CD GLU B 57 40.676 33.113 30.176 1.00 1.65 C ATOM 2225 OE1 GLU B 57 40.647 32.055 29.568 1.00 2.39 O ATOM 2226 OE2 GLU B 57 41.695 33.620 30.613 1.00 2.43 O ATOM 0 H GLU B 57 37.482 34.199 26.843 1.00 0.19 H new ATOM 0 HA GLU B 57 39.124 35.843 28.624 1.00 0.22 H new ATOM 0 HB2 GLU B 57 37.472 34.032 29.347 1.00 0.25 H new ATOM 0 HB3 GLU B 57 38.555 32.836 28.663 1.00 0.25 H new ATOM 0 HG2 GLU B 57 39.544 34.876 30.708 1.00 0.55 H new ATOM 0 HG3 GLU B 57 38.798 33.373 31.215 1.00 0.55 H new ATOM 2233 N TYR B 58 40.526 33.402 26.888 1.00 0.20 N ATOM 2234 CA TYR B 58 41.857 32.947 26.402 1.00 0.24 C ATOM 2235 C TYR B 58 42.460 34.021 25.488 1.00 0.24 C ATOM 2236 O TYR B 58 43.643 34.032 25.217 1.00 0.33 O ATOM 2237 CB TYR B 58 41.690 31.613 25.640 1.00 0.29 C ATOM 2238 CG TYR B 58 42.902 30.730 25.861 1.00 0.97 C ATOM 2239 CD1 TYR B 58 44.101 31.016 25.204 1.00 2.18 C ATOM 2240 CD2 TYR B 58 42.823 29.633 26.729 1.00 0.61 C ATOM 2241 CE1 TYR B 58 45.225 30.206 25.411 1.00 2.88 C ATOM 2242 CE2 TYR B 58 43.946 28.824 26.939 1.00 1.22 C ATOM 2243 CZ TYR B 58 45.148 29.111 26.280 1.00 2.36 C ATOM 2244 OH TYR B 58 46.255 28.314 26.486 1.00 3.06 O ATOM 0 H TYR B 58 39.734 32.837 26.582 1.00 0.20 H new ATOM 0 HA TYR B 58 42.530 32.789 27.245 1.00 0.24 H new ATOM 0 HB2 TYR B 58 40.790 31.101 25.981 1.00 0.29 H new ATOM 0 HB3 TYR B 58 41.562 31.807 24.575 1.00 0.29 H new ATOM 0 HD1 TYR B 58 44.162 31.862 24.536 1.00 2.18 H new ATOM 0 HD2 TYR B 58 41.896 29.411 27.236 1.00 0.61 H new ATOM 0 HE1 TYR B 58 46.151 30.426 24.900 1.00 2.88 H new ATOM 0 HE2 TYR B 58 43.885 27.979 27.609 1.00 1.22 H new ATOM 0 HH TYR B 58 47.067 28.820 26.273 1.00 3.06 H new ATOM 2254 N SER B 59 41.654 34.924 25.013 1.00 0.27 N ATOM 2255 CA SER B 59 42.177 35.994 24.119 1.00 0.34 C ATOM 2256 C SER B 59 43.239 36.817 24.862 1.00 0.37 C ATOM 2257 O SER B 59 44.365 36.930 24.424 1.00 0.52 O ATOM 2258 CB SER B 59 41.016 36.898 23.680 1.00 0.41 C ATOM 2259 OG SER B 59 40.453 36.381 22.481 1.00 1.45 O ATOM 0 H SER B 59 40.653 34.969 25.204 1.00 0.27 H new ATOM 0 HA SER B 59 42.636 35.546 23.238 1.00 0.34 H new ATOM 0 HB2 SER B 59 40.258 36.944 24.462 1.00 0.41 H new ATOM 0 HB3 SER B 59 41.371 37.916 23.520 1.00 0.41 H new ATOM 0 HG SER B 59 39.913 35.590 22.688 1.00 1.45 H new ATOM 2265 N ARG B 60 42.888 37.403 25.973 1.00 0.42 N ATOM 2266 CA ARG B 60 43.879 38.229 26.726 1.00 0.54 C ATOM 2267 C ARG B 60 45.156 37.420 26.984 1.00 0.61 C ATOM 2268 O ARG B 60 46.251 37.942 26.920 1.00 0.78 O ATOM 2269 CB ARG B 60 43.271 38.688 28.060 1.00 0.66 C ATOM 2270 CG ARG B 60 42.420 37.564 28.654 1.00 0.93 C ATOM 2271 CD ARG B 60 41.947 37.956 30.055 1.00 1.26 C ATOM 2272 NE ARG B 60 43.103 38.440 30.882 1.00 1.94 N ATOM 2273 CZ ARG B 60 44.163 37.702 31.085 1.00 2.56 C ATOM 2274 NH1 ARG B 60 44.180 36.448 30.725 1.00 2.77 N ATOM 2275 NH2 ARG B 60 45.193 38.209 31.706 1.00 3.52 N ATOM 0 H ARG B 60 41.960 37.347 26.393 1.00 0.42 H new ATOM 0 HA ARG B 60 44.133 39.105 26.129 1.00 0.54 H new ATOM 0 HB2 ARG B 60 44.063 38.964 28.756 1.00 0.66 H new ATOM 0 HB3 ARG B 60 42.659 39.577 27.905 1.00 0.66 H new ATOM 0 HG2 ARG B 60 41.561 37.368 28.012 1.00 0.93 H new ATOM 0 HG3 ARG B 60 43.000 36.642 28.701 1.00 0.93 H new ATOM 0 HD2 ARG B 60 41.190 38.737 29.985 1.00 1.26 H new ATOM 0 HD3 ARG B 60 41.478 37.100 30.540 1.00 1.26 H new ATOM 0 HE ARG B 60 43.060 39.371 31.297 1.00 1.94 H new ATOM 0 HH11 ARG B 60 43.361 36.034 30.280 1.00 2.77 H new ATOM 0 HH12 ARG B 60 45.013 35.882 30.888 1.00 2.77 H new ATOM 0 HH21 ARG B 60 45.168 39.176 32.030 1.00 3.52 H new ATOM 0 HH22 ARG B 60 46.023 37.638 31.867 1.00 3.52 H new ATOM 2289 N GLN B 61 45.030 36.157 27.279 1.00 0.61 N ATOM 2290 CA GLN B 61 46.245 35.334 27.546 1.00 0.76 C ATOM 2291 C GLN B 61 47.224 35.451 26.371 1.00 0.85 C ATOM 2292 O GLN B 61 48.343 34.984 26.440 1.00 1.06 O ATOM 2293 CB GLN B 61 45.843 33.867 27.732 1.00 0.79 C ATOM 2294 CG GLN B 61 45.218 33.677 29.116 1.00 1.26 C ATOM 2295 CD GLN B 61 46.314 33.712 30.180 1.00 1.65 C ATOM 2296 OE1 GLN B 61 46.655 34.853 30.708 1.00 2.28 O flip ATOM 2297 NE2 GLN B 61 46.867 32.689 30.534 1.00 2.31 N flip ATOM 0 H GLN B 61 44.142 35.659 27.347 1.00 0.61 H new ATOM 0 HA GLN B 61 46.728 35.697 28.453 1.00 0.76 H new ATOM 0 HB2 GLN B 61 45.134 33.573 26.958 1.00 0.79 H new ATOM 0 HB3 GLN B 61 46.716 33.224 27.625 1.00 0.79 H new ATOM 0 HG2 GLN B 61 44.486 34.462 29.307 1.00 1.26 H new ATOM 0 HG3 GLN B 61 44.685 32.727 29.159 1.00 1.26 H new ATOM 0 HE21 GLN B 61 46.600 31.796 30.121 1.00 2.31 H new ATOM 0 HE22 GLN B 61 47.598 32.724 31.244 1.00 2.31 H new ATOM 2306 N HIS B 62 46.816 36.065 25.289 1.00 0.79 N ATOM 2307 CA HIS B 62 47.734 36.199 24.117 1.00 0.97 C ATOM 2308 C HIS B 62 48.617 37.436 24.286 1.00 1.01 C ATOM 2309 O HIS B 62 49.826 37.363 24.182 1.00 1.27 O ATOM 2310 CB HIS B 62 46.915 36.334 22.833 1.00 1.05 C ATOM 2311 CG HIS B 62 46.231 35.029 22.539 1.00 1.28 C ATOM 2312 ND1 HIS B 62 44.860 34.862 22.679 1.00 1.77 N ATOM 2313 CD2 HIS B 62 46.715 33.814 22.115 1.00 1.57 C ATOM 2314 CE1 HIS B 62 44.568 33.591 22.345 1.00 1.97 C ATOM 2315 NE2 HIS B 62 45.663 32.915 21.996 1.00 1.83 N ATOM 0 H HIS B 62 45.891 36.478 25.167 1.00 0.79 H new ATOM 0 HA HIS B 62 48.363 35.311 24.057 1.00 0.97 H new ATOM 0 HB2 HIS B 62 46.176 37.128 22.941 1.00 1.05 H new ATOM 0 HB3 HIS B 62 47.563 36.613 22.002 1.00 1.05 H new ATOM 0 HD2 HIS B 62 47.751 33.593 21.907 1.00 1.57 H new ATOM 0 HE1 HIS B 62 43.573 33.172 22.358 1.00 1.97 H new ATOM 0 HE2 HIS B 62 45.717 31.940 21.702 1.00 1.83 H new ATOM 2323 N ASN B 63 48.029 38.575 24.539 1.00 1.00 N ATOM 2324 CA ASN B 63 48.848 39.810 24.704 1.00 1.16 C ATOM 2325 C ASN B 63 48.077 40.842 25.529 1.00 1.28 C ATOM 2326 O ASN B 63 48.579 41.368 26.503 1.00 1.86 O ATOM 2327 CB ASN B 63 49.167 40.395 23.326 1.00 1.33 C ATOM 2328 CG ASN B 63 50.222 41.493 23.468 1.00 1.93 C ATOM 2329 OD1 ASN B 63 49.916 42.664 23.364 1.00 2.59 O ATOM 2330 ND2 ASN B 63 51.463 41.162 23.703 1.00 2.66 N ATOM 0 H ASN B 63 47.022 38.703 24.638 1.00 1.00 H new ATOM 0 HA ASN B 63 49.774 39.559 25.221 1.00 1.16 H new ATOM 0 HB2 ASN B 63 49.530 39.611 22.662 1.00 1.33 H new ATOM 0 HB3 ASN B 63 48.262 40.802 22.874 1.00 1.33 H new ATOM 0 HD21 ASN B 63 52.175 41.886 23.799 1.00 2.66 H new ATOM 0 HD22 ASN B 63 51.721 40.179 23.790 1.00 2.66 H new ATOM 2337 N LEU B 64 46.863 41.146 25.150 1.00 1.29 N ATOM 2338 CA LEU B 64 46.077 42.155 25.923 1.00 1.43 C ATOM 2339 C LEU B 64 46.159 41.812 27.416 1.00 1.74 C ATOM 2340 O LEU B 64 45.942 40.685 27.814 1.00 2.20 O ATOM 2341 CB LEU B 64 44.605 42.158 25.467 1.00 1.43 C ATOM 2342 CG LEU B 64 44.510 41.881 23.962 1.00 1.54 C ATOM 2343 CD1 LEU B 64 43.057 42.049 23.508 1.00 1.59 C ATOM 2344 CD2 LEU B 64 45.398 42.868 23.196 1.00 2.41 C ATOM 0 H LEU B 64 46.384 40.743 24.345 1.00 1.29 H new ATOM 0 HA LEU B 64 46.493 43.147 25.746 1.00 1.43 H new ATOM 0 HB2 LEU B 64 44.046 41.402 26.018 1.00 1.43 H new ATOM 0 HB3 LEU B 64 44.149 43.121 25.695 1.00 1.43 H new ATOM 0 HG LEU B 64 44.845 40.864 23.760 1.00 1.54 H new ATOM 0 HD11 LEU B 64 42.985 41.853 22.438 1.00 1.59 H new ATOM 0 HD12 LEU B 64 42.423 41.346 24.049 1.00 1.59 H new ATOM 0 HD13 LEU B 64 42.727 43.067 23.713 1.00 1.59 H new ATOM 0 HD21 LEU B 64 45.327 42.667 22.127 1.00 2.41 H new ATOM 0 HD22 LEU B 64 45.067 43.887 23.397 1.00 2.41 H new ATOM 0 HD23 LEU B 64 46.433 42.753 23.519 1.00 2.41 H new ATOM 2356 N ASN B 65 46.479 42.770 28.242 1.00 2.14 N ATOM 2357 CA ASN B 65 46.582 42.489 29.701 1.00 2.59 C ATOM 2358 C ASN B 65 46.466 43.810 30.474 1.00 3.01 C ATOM 2359 O ASN B 65 47.436 44.515 30.671 1.00 3.52 O ATOM 2360 CB ASN B 65 47.947 41.808 29.983 1.00 3.25 C ATOM 2361 CG ASN B 65 47.743 40.434 30.640 1.00 3.82 C ATOM 2362 OD1 ASN B 65 47.714 39.424 29.965 1.00 4.30 O ATOM 2363 ND2 ASN B 65 47.600 40.357 31.935 1.00 4.34 N ATOM 0 H ASN B 65 46.673 43.734 27.970 1.00 2.14 H new ATOM 0 HA ASN B 65 45.780 41.824 30.022 1.00 2.59 H new ATOM 0 HB2 ASN B 65 48.501 41.692 29.051 1.00 3.25 H new ATOM 0 HB3 ASN B 65 48.548 42.443 30.634 1.00 3.25 H new ATOM 0 HD21 ASN B 65 47.464 39.449 32.380 1.00 4.34 H new ATOM 0 HD22 ASN B 65 47.624 41.204 32.502 1.00 4.34 H new ATOM 2370 N ILE B 66 45.282 44.146 30.914 1.00 0.00 N ATOM 2371 CA ILE B 66 45.086 45.416 31.678 1.00 0.00 C ATOM 2372 C ILE B 66 45.226 45.128 33.180 1.00 0.00 C ATOM 2373 O ILE B 66 44.258 45.084 33.910 1.00 0.00 O ATOM 2374 CB ILE B 66 43.688 46.009 31.366 1.00 0.00 C ATOM 2375 CG1 ILE B 66 42.715 44.897 30.954 1.00 0.00 C ATOM 2376 CG2 ILE B 66 43.789 47.016 30.213 1.00 0.00 C ATOM 2377 CD1 ILE B 66 42.559 43.894 32.096 1.00 0.00 C ATOM 0 H ILE B 66 44.436 43.592 30.777 1.00 0.00 H new ATOM 0 HA ILE B 66 45.842 46.144 31.382 1.00 0.00 H new ATOM 0 HB ILE B 66 43.322 46.504 32.265 1.00 0.00 H new ATOM 0 HG12 ILE B 66 41.746 45.326 30.700 1.00 0.00 H new ATOM 0 HG13 ILE B 66 43.084 44.391 30.062 1.00 0.00 H new ATOM 0 HG21 ILE B 66 42.802 47.427 30.001 1.00 0.00 H new ATOM 0 HG22 ILE B 66 44.466 47.823 30.493 1.00 0.00 H new ATOM 0 HG23 ILE B 66 44.171 46.514 29.324 1.00 0.00 H new ATOM 0 HD11 ILE B 66 41.867 43.107 31.797 1.00 0.00 H new ATOM 0 HD12 ILE B 66 43.529 43.455 32.330 1.00 0.00 H new ATOM 0 HD13 ILE B 66 42.170 44.404 32.977 1.00 0.00 H new ATOM 2389 N TYR B 67 46.432 44.933 33.643 1.00 0.00 N ATOM 2390 CA TYR B 67 46.645 44.646 35.092 1.00 0.00 C ATOM 2391 C TYR B 67 45.832 45.626 35.941 1.00 0.00 C ATOM 2392 O TYR B 67 45.701 46.787 35.609 1.00 0.00 O ATOM 2393 CB TYR B 67 48.130 44.796 35.426 1.00 0.00 C ATOM 2394 CG TYR B 67 48.955 44.104 34.366 1.00 0.00 C ATOM 2395 CD1 TYR B 67 49.045 42.706 34.352 1.00 0.00 C ATOM 2396 CD2 TYR B 67 49.628 44.858 33.397 1.00 0.00 C ATOM 2397 CE1 TYR B 67 49.807 42.064 33.369 1.00 0.00 C ATOM 2398 CE2 TYR B 67 50.391 44.216 32.415 1.00 0.00 C ATOM 2399 CZ TYR B 67 50.480 42.819 32.400 1.00 0.00 C ATOM 2400 OH TYR B 67 51.232 42.186 31.431 1.00 0.00 O ATOM 0 H TYR B 67 47.281 44.960 33.079 1.00 0.00 H new ATOM 0 HA TYR B 67 46.320 43.628 35.308 1.00 0.00 H new ATOM 0 HB2 TYR B 67 48.397 45.851 35.479 1.00 0.00 H new ATOM 0 HB3 TYR B 67 48.339 44.364 36.405 1.00 0.00 H new ATOM 0 HD1 TYR B 67 48.527 42.124 35.099 1.00 0.00 H new ATOM 0 HD2 TYR B 67 49.558 45.936 33.407 1.00 0.00 H new ATOM 0 HE1 TYR B 67 49.876 40.986 33.358 1.00 0.00 H new ATOM 0 HE2 TYR B 67 50.911 44.798 31.669 1.00 0.00 H new ATOM 0 HH TYR B 67 51.631 42.856 30.837 1.00 0.00 H new ATOM 2410 N ASP B 68 45.287 45.161 37.040 1.00 0.00 N ATOM 2411 CA ASP B 68 44.476 46.050 37.933 1.00 0.00 C ATOM 2412 C ASP B 68 45.214 46.243 39.260 1.00 0.00 C ATOM 2413 O ASP B 68 44.853 47.077 40.066 1.00 0.00 O ATOM 2414 CB ASP B 68 43.120 45.393 38.199 1.00 0.00 C ATOM 2415 CG ASP B 68 42.296 46.285 39.128 1.00 0.00 C ATOM 2416 OD1 ASP B 68 42.448 46.154 40.331 1.00 0.00 O ATOM 2417 OD2 ASP B 68 41.527 47.085 38.620 1.00 0.00 O ATOM 0 H ASP B 68 45.370 44.196 37.359 1.00 0.00 H new ATOM 0 HA ASP B 68 44.328 47.017 37.453 1.00 0.00 H new ATOM 0 HB2 ASP B 68 42.588 45.238 37.260 1.00 0.00 H new ATOM 0 HB3 ASP B 68 43.262 44.411 38.651 1.00 0.00 H new ATOM 2422 N GLY B 69 46.245 45.477 39.493 1.00 0.00 N ATOM 2423 CA GLY B 69 47.006 45.615 40.768 1.00 0.00 C ATOM 2424 C GLY B 69 46.286 44.848 41.877 1.00 0.00 C ATOM 2425 O GLY B 69 46.201 45.296 43.003 1.00 0.00 O ATOM 0 H GLY B 69 46.594 44.761 38.855 1.00 0.00 H new ATOM 0 HA2 GLY B 69 48.018 45.230 40.643 1.00 0.00 H new ATOM 0 HA3 GLY B 69 47.096 46.667 41.038 1.00 0.00 H new ATOM 2429 N GLY B 70 45.766 43.694 41.566 1.00 0.00 N ATOM 2430 CA GLY B 70 45.050 42.894 42.600 1.00 0.00 C ATOM 2431 C GLY B 70 46.066 42.216 43.520 1.00 0.00 C ATOM 2432 O GLY B 70 47.143 42.726 43.755 1.00 0.00 O ATOM 0 H GLY B 70 45.806 43.269 40.640 1.00 0.00 H new ATOM 0 HA2 GLY B 70 44.392 43.539 43.182 1.00 0.00 H new ATOM 0 HA3 GLY B 70 44.420 42.144 42.122 1.00 0.00 H new ATOM 2436 N GLU B 71 45.730 41.069 44.045 1.00 0.00 N ATOM 2437 CA GLU B 71 46.674 40.357 44.953 1.00 0.00 C ATOM 2438 C GLU B 71 47.756 39.664 44.118 1.00 0.00 C ATOM 2439 O GLU B 71 48.584 38.940 44.634 1.00 0.00 O ATOM 2440 CB GLU B 71 45.900 39.314 45.772 1.00 0.00 C ATOM 2441 CG GLU B 71 46.711 38.914 47.009 1.00 0.00 C ATOM 2442 CD GLU B 71 45.875 37.980 47.887 1.00 0.00 C ATOM 2443 OE1 GLU B 71 45.708 36.833 47.505 1.00 0.00 O ATOM 2444 OE2 GLU B 71 45.416 38.427 48.925 1.00 0.00 O ATOM 0 H GLU B 71 44.842 40.594 43.884 1.00 0.00 H new ATOM 0 HA GLU B 71 47.144 41.070 45.630 1.00 0.00 H new ATOM 0 HB2 GLU B 71 44.935 39.720 46.075 1.00 0.00 H new ATOM 0 HB3 GLU B 71 45.698 38.435 45.160 1.00 0.00 H new ATOM 0 HG2 GLU B 71 47.634 38.418 46.707 1.00 0.00 H new ATOM 0 HG3 GLU B 71 46.996 39.802 47.573 1.00 0.00 H new ATOM 2451 N LEU B 72 47.757 39.882 42.831 1.00 0.00 N ATOM 2452 CA LEU B 72 48.786 39.237 41.968 1.00 0.00 C ATOM 2453 C LEU B 72 50.088 40.031 42.074 1.00 0.00 C ATOM 2454 O LEU B 72 50.938 39.746 42.894 1.00 0.00 O ATOM 2455 CB LEU B 72 48.320 39.233 40.505 1.00 0.00 C ATOM 2456 CG LEU B 72 47.068 38.351 40.319 1.00 0.00 C ATOM 2457 CD1 LEU B 72 47.354 36.905 40.762 1.00 0.00 C ATOM 2458 CD2 LEU B 72 45.888 38.926 41.125 1.00 0.00 C ATOM 0 H LEU B 72 47.090 40.478 42.341 1.00 0.00 H new ATOM 0 HA LEU B 72 48.940 38.209 42.297 1.00 0.00 H new ATOM 0 HB2 LEU B 72 48.100 40.252 40.188 1.00 0.00 H new ATOM 0 HB3 LEU B 72 49.124 38.867 39.866 1.00 0.00 H new ATOM 0 HG LEU B 72 46.805 38.345 39.261 1.00 0.00 H new ATOM 0 HD11 LEU B 72 46.459 36.298 40.623 1.00 0.00 H new ATOM 0 HD12 LEU B 72 48.167 36.495 40.163 1.00 0.00 H new ATOM 0 HD13 LEU B 72 47.639 36.896 41.814 1.00 0.00 H new ATOM 0 HD21 LEU B 72 45.010 38.295 40.986 1.00 0.00 H new ATOM 0 HD22 LEU B 72 46.150 38.955 42.183 1.00 0.00 H new ATOM 0 HD23 LEU B 72 45.668 39.935 40.778 1.00 0.00 H new ATOM 2470 N ARG B 73 50.247 41.030 41.251 1.00 0.00 N ATOM 2471 CA ARG B 73 51.490 41.852 41.301 1.00 0.00 C ATOM 2472 C ARG B 73 51.340 42.919 42.388 1.00 0.00 C ATOM 2473 O ARG B 73 50.468 42.840 43.229 1.00 0.00 O ATOM 2474 CB ARG B 73 51.712 42.536 39.945 1.00 0.00 C ATOM 2475 CG ARG B 73 51.763 41.486 38.818 1.00 0.00 C ATOM 2476 CD ARG B 73 53.161 40.860 38.733 1.00 0.00 C ATOM 2477 NE ARG B 73 54.207 41.931 38.598 1.00 0.00 N ATOM 2478 CZ ARG B 73 54.187 42.798 37.619 1.00 0.00 C ATOM 2479 NH1 ARG B 73 53.358 42.658 36.621 1.00 0.00 N ATOM 2480 NH2 ARG B 73 55.042 43.785 37.613 1.00 0.00 N ATOM 0 H ARG B 73 49.569 41.314 40.544 1.00 0.00 H new ATOM 0 HA ARG B 73 52.343 41.211 41.525 1.00 0.00 H new ATOM 0 HB2 ARG B 73 50.908 43.247 39.753 1.00 0.00 H new ATOM 0 HB3 ARG B 73 52.642 43.104 39.964 1.00 0.00 H new ATOM 0 HG2 ARG B 73 51.020 40.709 39.002 1.00 0.00 H new ATOM 0 HG3 ARG B 73 51.508 41.952 37.866 1.00 0.00 H new ATOM 0 HD2 ARG B 73 53.354 40.264 39.625 1.00 0.00 H new ATOM 0 HD3 ARG B 73 53.212 40.183 37.880 1.00 0.00 H new ATOM 0 HE ARG B 73 54.954 41.983 39.290 1.00 0.00 H new ATOM 0 HH11 ARG B 73 52.716 41.866 36.599 1.00 0.00 H new ATOM 0 HH12 ARG B 73 53.352 43.341 35.863 1.00 0.00 H new ATOM 0 HH21 ARG B 73 55.721 43.877 38.369 1.00 0.00 H new ATOM 0 HH22 ARG B 73 55.031 44.464 36.852 1.00 0.00 H new ATOM 2494 N ASN B 74 52.178 43.919 42.376 1.00 0.00 N ATOM 2495 CA ASN B 74 52.074 44.989 43.409 1.00 0.00 C ATOM 2496 C ASN B 74 52.917 46.192 42.986 1.00 0.00 C ATOM 2497 O ASN B 74 54.083 46.066 42.669 1.00 0.00 O ATOM 2498 CB ASN B 74 52.581 44.459 44.751 1.00 0.00 C ATOM 2499 CG ASN B 74 53.927 43.761 44.549 1.00 0.00 C ATOM 2500 OD1 ASN B 74 53.978 42.631 44.105 1.00 0.00 O ATOM 2501 ND2 ASN B 74 55.028 44.391 44.857 1.00 0.00 N ATOM 0 H ASN B 74 52.929 44.042 41.697 1.00 0.00 H new ATOM 0 HA ASN B 74 51.032 45.292 43.510 1.00 0.00 H new ATOM 0 HB2 ASN B 74 52.688 45.279 45.461 1.00 0.00 H new ATOM 0 HB3 ASN B 74 51.858 43.762 45.175 1.00 0.00 H new ATOM 0 HD21 ASN B 74 55.931 43.935 44.725 1.00 0.00 H new ATOM 0 HD22 ASN B 74 54.986 45.340 45.230 1.00 0.00 H new ATOM 2508 N THR B 75 52.335 47.362 42.981 1.00 0.00 N ATOM 2509 CA THR B 75 53.096 48.582 42.582 1.00 0.00 C ATOM 2510 C THR B 75 53.724 49.217 43.824 1.00 0.00 C ATOM 2511 O THR B 75 54.751 48.781 44.306 1.00 0.00 O ATOM 2512 CB THR B 75 52.137 49.582 41.928 1.00 0.00 C ATOM 2513 OG1 THR B 75 50.941 49.655 42.692 1.00 0.00 O ATOM 2514 CG2 THR B 75 51.807 49.121 40.506 1.00 0.00 C ATOM 0 H THR B 75 51.361 47.526 43.237 1.00 0.00 H new ATOM 0 HA THR B 75 53.881 48.311 41.876 1.00 0.00 H new ATOM 0 HB THR B 75 52.607 50.565 41.889 1.00 0.00 H new ATOM 0 HG1 THR B 75 50.326 50.295 42.277 1.00 0.00 H new ATOM 0 HG21 THR B 75 51.125 49.833 40.042 1.00 0.00 H new ATOM 0 HG22 THR B 75 52.724 49.063 39.920 1.00 0.00 H new ATOM 0 HG23 THR B 75 51.337 48.138 40.542 1.00 0.00 H new ATOM 2522 N THR B 76 53.113 50.247 44.349 1.00 0.00 N ATOM 2523 CA THR B 76 53.667 50.918 45.563 1.00 0.00 C ATOM 2524 C THR B 76 52.993 50.342 46.812 1.00 0.00 C ATOM 2525 O THR B 76 52.841 49.144 46.949 1.00 0.00 O ATOM 2526 CB THR B 76 53.396 52.423 45.477 1.00 0.00 C ATOM 2527 OG1 THR B 76 53.747 53.040 46.708 1.00 0.00 O ATOM 2528 CG2 THR B 76 51.914 52.663 45.186 1.00 0.00 C ATOM 0 H THR B 76 52.250 50.654 43.988 1.00 0.00 H new ATOM 0 HA THR B 76 54.742 50.747 45.621 1.00 0.00 H new ATOM 0 HB THR B 76 53.994 52.853 44.674 1.00 0.00 H new ATOM 0 HG1 THR B 76 53.575 54.003 46.652 1.00 0.00 H new ATOM 0 HG21 THR B 76 51.724 53.735 45.125 1.00 0.00 H new ATOM 0 HG22 THR B 76 51.648 52.193 44.239 1.00 0.00 H new ATOM 0 HG23 THR B 76 51.312 52.232 45.986 1.00 0.00 H new ATOM 2536 N ARG B 77 52.588 51.183 47.725 1.00 0.00 N ATOM 2537 CA ARG B 77 51.925 50.680 48.961 1.00 0.00 C ATOM 2538 C ARG B 77 51.171 51.827 49.640 1.00 0.00 C ATOM 2539 O ARG B 77 51.750 52.829 50.010 1.00 0.00 O ATOM 2540 CB ARG B 77 52.987 50.127 49.918 1.00 0.00 C ATOM 2541 CG ARG B 77 52.310 49.597 51.193 1.00 0.00 C ATOM 2542 CD ARG B 77 53.347 48.911 52.113 1.00 0.00 C ATOM 2543 NE ARG B 77 52.786 47.626 52.644 1.00 0.00 N ATOM 2544 CZ ARG B 77 51.580 47.567 53.148 1.00 0.00 C ATOM 2545 NH1 ARG B 77 50.874 48.653 53.307 1.00 0.00 N ATOM 2546 NH2 ARG B 77 51.092 46.417 53.526 1.00 0.00 N ATOM 0 H ARG B 77 52.688 52.196 47.668 1.00 0.00 H new ATOM 0 HA ARG B 77 51.222 49.889 48.701 1.00 0.00 H new ATOM 0 HB2 ARG B 77 53.547 49.327 49.433 1.00 0.00 H new ATOM 0 HB3 ARG B 77 53.703 50.908 50.173 1.00 0.00 H new ATOM 0 HG2 ARG B 77 51.830 50.418 51.725 1.00 0.00 H new ATOM 0 HG3 ARG B 77 51.526 48.888 50.927 1.00 0.00 H new ATOM 0 HD2 ARG B 77 54.265 48.716 51.559 1.00 0.00 H new ATOM 0 HD3 ARG B 77 53.608 49.573 52.939 1.00 0.00 H new ATOM 0 HE ARG B 77 53.356 46.781 52.612 1.00 0.00 H new ATOM 0 HH11 ARG B 77 51.262 49.557 53.038 1.00 0.00 H new ATOM 0 HH12 ARG B 77 49.935 48.598 53.701 1.00 0.00 H new ATOM 0 HH21 ARG B 77 51.650 45.569 53.428 1.00 0.00 H new ATOM 0 HH22 ARG B 77 50.152 46.366 53.919 1.00 0.00 H new ATOM 2560 N GLN B 78 49.884 51.686 49.808 1.00 0.00 N ATOM 2561 CA GLN B 78 49.095 52.766 50.466 1.00 0.00 C ATOM 2562 C GLN B 78 49.390 52.767 51.968 1.00 0.00 C ATOM 2563 O GLN B 78 48.513 52.563 52.783 1.00 0.00 O ATOM 2564 CB GLN B 78 47.601 52.518 50.242 1.00 0.00 C ATOM 2565 CG GLN B 78 46.808 53.761 50.653 1.00 0.00 C ATOM 2566 CD GLN B 78 45.317 53.421 50.706 1.00 0.00 C ATOM 2567 OE1 GLN B 78 44.860 52.529 50.020 1.00 0.00 O ATOM 2568 NE2 GLN B 78 44.533 54.100 51.499 1.00 0.00 N ATOM 0 H GLN B 78 49.345 50.870 49.518 1.00 0.00 H new ATOM 0 HA GLN B 78 49.371 53.730 50.038 1.00 0.00 H new ATOM 0 HB2 GLN B 78 47.414 52.285 49.194 1.00 0.00 H new ATOM 0 HB3 GLN B 78 47.274 51.656 50.824 1.00 0.00 H new ATOM 0 HG2 GLN B 78 47.146 54.115 51.627 1.00 0.00 H new ATOM 0 HG3 GLN B 78 46.983 54.568 49.942 1.00 0.00 H new ATOM 0 HE21 GLN B 78 44.916 54.849 52.076 1.00 0.00 H new ATOM 0 HE22 GLN B 78 43.538 53.881 51.542 1.00 0.00 H new ATOM 2577 N CYS B 79 50.620 52.994 52.340 1.00 0.00 N ATOM 2578 CA CYS B 79 50.971 53.005 53.788 1.00 0.00 C ATOM 2579 C CYS B 79 50.049 53.974 54.531 1.00 0.00 C ATOM 2580 O CYS B 79 49.478 54.874 53.947 1.00 0.00 O ATOM 2581 CB CYS B 79 52.424 53.454 53.957 1.00 0.00 C ATOM 2582 SG CYS B 79 53.490 52.468 52.876 1.00 0.00 S ATOM 0 H CYS B 79 51.397 53.172 51.704 1.00 0.00 H new ATOM 0 HA CYS B 79 50.849 52.002 54.198 1.00 0.00 H new ATOM 0 HB2 CYS B 79 52.520 54.512 53.713 1.00 0.00 H new ATOM 0 HB3 CYS B 79 52.733 53.337 54.996 1.00 0.00 H new ATOM 0 HG CYS B 79 54.724 52.851 53.017 1.00 0.00 H new ATOM 2588 N GLY B 80 49.899 53.797 55.816 1.00 0.00 N ATOM 2589 CA GLY B 80 49.014 54.708 56.596 1.00 0.00 C ATOM 2590 C GLY B 80 47.586 54.621 56.055 1.00 0.00 C ATOM 2591 O GLY B 80 47.301 53.674 55.341 1.00 0.00 O ATOM 2592 OXT GLY B 80 46.802 55.503 56.365 1.00 0.00 O ATOM 0 H GLY B 80 50.351 53.061 56.359 1.00 0.00 H new ATOM 0 HA2 GLY B 80 49.032 54.434 57.651 1.00 0.00 H new ATOM 0 HA3 GLY B 80 49.378 55.733 56.527 1.00 0.00 H new TER 2596 GLY B 80