USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1516 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 7 THR OG1 : rot 122:sc= 0.575 USER MOD Set 1.2: B 9 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.1: A 121 CYS SG : rot -22:sc= 0.311 USER MOD Set 2.2: A 125 ASN : amide:sc= -0.256 K(o=0.055,f=-1.6!) USER MOD Set 3.1: A 116 GLN : amide:sc= 0 K(o=0.99,f=-0.96) USER MOD Set 3.2: A 120 HIS : no HD1:sc= 0.985 K(o=0.99,f=-6!) USER MOD Set 4.1: A 102 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 66 THR OG1 : rot 180:sc= 0.123 USER MOD Set 5.1: A 66 SER OG : rot 180:sc= 0.0493 USER MOD Set 5.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 52 THR OG1 : rot 63:sc= 2.38 USER MOD Set 6.2: A 58 HIS : no HE2:sc= 1.13 K(o=3.5,f=-5.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 2.51 (180deg=-0.0822) USER MOD Single : A 31 MET CE :methyl -175:sc= -0.115 (180deg=-0.175) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -30:sc= 0.352 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.0884 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 51 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.79) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -105:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 80 CYS SG : rot -30:sc= -2.39! USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.21) USER MOD Single : A 87 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.1) USER MOD Single : A 88 CYS SG : rot -130:sc= -0.83 USER MOD Single : A 90 SER OG : rot -130:sc= -0.334 USER MOD Single : A 94 TYR OH : rot -151:sc= 1.25 USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= 0.773 (180deg=0.16) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.12) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.711! C(o=-0.71!,f=-2.6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 154:sc= 1.29 (180deg=0.944) USER MOD Single : A 127 CYS SG : rot 77:sc= 1.27 USER MOD Single : A 129 ASN : amide:sc= 0.877 K(o=0.88,f=0.3) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 157:sc= 2.71 (180deg=2.24) USER MOD Single : B 2 GLN : amide:sc= 0.00731 K(o=0.0073,f=-3.1!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -125:sc= 1.27 (180deg=0.323) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : B 20 SER OG : rot 180:sc= 0.06 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.125 USER MOD Single : B 25 ASN : amide:sc= 1.11 K(o=1.1,f=-1.4!) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= 0.545 (180deg=0.238) USER MOD Single : B 29 LYS NZ :NH3+ 165:sc= 2.48 (180deg=2.22) USER MOD Single : B 31 GLN : amide:sc= -0.0877 K(o=-0.088,f=-1.5!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -1.94 K(o=-1.9,f=-6.2!) USER MOD Single : B 41 GLN : amide:sc= 0.266 K(o=0.27,f=-6.5!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : B 55 THR OG1 : rot -52:sc= 1.04 USER MOD Single : B 57 SER OG : rot 180:sc= 0.00533 USER MOD Single : B 59 TYR OH : rot 30:sc= 0.939 USER MOD Single : B 60 ASN : amide:sc= -0.0481 K(o=-0.048,f=-1.6!) USER MOD Single : B 62 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 119:sc= 1.16 USER MOD Single : B 68 HIS : +bothHN:sc= 1.76 K(o=1.8,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 11.904 -7.520 -9.044 1.00 45.61 N ATOM 2 CA TYR A 22 10.962 -7.126 -7.967 1.00 43.51 C ATOM 3 C TYR A 22 11.504 -7.572 -6.617 1.00 43.60 C ATOM 4 O TYR A 22 12.278 -8.527 -6.540 1.00 44.61 O ATOM 5 CB TYR A 22 9.583 -7.755 -8.188 1.00 47.56 C ATOM 6 CG TYR A 22 9.097 -7.700 -9.617 1.00 46.63 C ATOM 7 CD1 TYR A 22 8.858 -6.483 -10.244 1.00 50.27 C ATOM 8 CD2 TYR A 22 8.874 -8.864 -10.340 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.411 -6.432 -11.550 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.427 -8.820 -11.644 1.00 48.24 C ATOM 11 CZ TYR A 22 8.198 -7.604 -12.245 1.00 52.62 C ATOM 12 OH TYR A 22 7.754 -7.559 -13.544 1.00 54.99 O ATOM 0 HA TYR A 22 10.861 -6.041 -7.986 1.00 43.51 H new ATOM 0 HB2 TYR A 22 9.616 -8.796 -7.867 1.00 47.56 H new ATOM 0 HB3 TYR A 22 8.859 -7.248 -7.550 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.024 -5.564 -9.702 1.00 50.27 H new ATOM 0 HD2 TYR A 22 9.054 -9.821 -9.873 1.00 46.46 H new ATOM 0 HE1 TYR A 22 8.229 -5.479 -12.025 1.00 50.44 H new ATOM 0 HE2 TYR A 22 8.258 -9.736 -12.191 1.00 48.24 H new ATOM 0 HH TYR A 22 7.656 -8.471 -13.888 1.00 54.99 H new ATOM 24 N LEU A 23 11.087 -6.896 -5.555 1.00 31.65 N ATOM 25 CA LEU A 23 11.541 -7.237 -4.214 1.00 32.60 C ATOM 26 C LEU A 23 10.959 -8.577 -3.782 1.00 33.92 C ATOM 27 O LEU A 23 11.689 -9.529 -3.521 1.00 33.21 O ATOM 28 CB LEU A 23 11.139 -6.152 -3.213 1.00 31.36 C ATOM 29 CG LEU A 23 11.530 -4.725 -3.601 1.00 32.85 C ATOM 30 CD1 LEU A 23 11.140 -3.755 -2.499 1.00 37.08 C ATOM 31 CD2 LEU A 23 13.020 -4.626 -3.887 1.00 41.11 C ATOM 0 H LEU A 23 10.437 -6.111 -5.596 1.00 31.65 H new ATOM 0 HA LEU A 23 12.628 -7.309 -4.233 1.00 32.60 H new ATOM 0 HB2 LEU A 23 10.058 -6.190 -3.076 1.00 31.36 H new ATOM 0 HB3 LEU A 23 11.591 -6.385 -2.249 1.00 31.36 H new ATOM 0 HG LEU A 23 10.992 -4.461 -4.511 1.00 32.85 H new ATOM 0 HD11 LEU A 23 11.424 -2.743 -2.788 1.00 37.08 H new ATOM 0 HD12 LEU A 23 10.062 -3.798 -2.341 1.00 37.08 H new ATOM 0 HD13 LEU A 23 11.653 -4.027 -1.577 1.00 37.08 H new ATOM 0 HD21 LEU A 23 13.271 -3.601 -4.160 1.00 41.11 H new ATOM 0 HD22 LEU A 23 13.581 -4.912 -2.997 1.00 41.11 H new ATOM 0 HD23 LEU A 23 13.278 -5.294 -4.709 1.00 41.11 H new ATOM 43 N VAL A 24 9.636 -8.642 -3.719 1.00 28.03 N ATOM 44 CA VAL A 24 8.940 -9.860 -3.325 1.00 29.15 C ATOM 45 C VAL A 24 7.952 -10.262 -4.411 1.00 22.96 C ATOM 46 O VAL A 24 7.318 -9.400 -5.020 1.00 24.25 O ATOM 47 CB VAL A 24 8.188 -9.680 -1.983 1.00 32.80 C ATOM 48 CG1 VAL A 24 7.512 -10.975 -1.554 1.00 42.00 C ATOM 49 CG2 VAL A 24 9.135 -9.196 -0.898 1.00 41.63 C ATOM 0 H VAL A 24 9.019 -7.860 -3.937 1.00 28.03 H new ATOM 0 HA VAL A 24 9.687 -10.642 -3.192 1.00 29.15 H new ATOM 0 HB VAL A 24 7.415 -8.926 -2.134 1.00 32.80 H new ATOM 0 HG11 VAL A 24 6.992 -10.818 -0.609 1.00 42.00 H new ATOM 0 HG12 VAL A 24 6.795 -11.281 -2.316 1.00 42.00 H new ATOM 0 HG13 VAL A 24 8.264 -11.754 -1.429 1.00 42.00 H new ATOM 0 HG21 VAL A 24 8.587 -9.076 0.036 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.933 -9.926 -0.759 1.00 41.63 H new ATOM 0 HG23 VAL A 24 9.566 -8.239 -1.191 1.00 41.63 H new ATOM 59 N GLU A 25 7.857 -11.557 -4.678 1.00 24.89 N ATOM 60 CA GLU A 25 6.940 -12.068 -5.687 1.00 23.60 C ATOM 61 C GLU A 25 6.359 -13.405 -5.243 1.00 24.58 C ATOM 62 O GLU A 25 7.067 -14.241 -4.675 1.00 25.27 O ATOM 63 CB GLU A 25 7.654 -12.222 -7.032 1.00 29.00 C ATOM 64 CG GLU A 25 8.931 -13.043 -6.954 1.00 33.54 C ATOM 65 CD GLU A 25 9.509 -13.359 -8.313 1.00 42.16 C ATOM 66 OE1 GLU A 25 10.289 -12.538 -8.833 1.00 44.93 O ATOM 67 OE2 GLU A 25 9.189 -14.430 -8.870 1.00 53.32 O ATOM 0 H GLU A 25 8.407 -12.276 -4.207 1.00 24.89 H new ATOM 0 HA GLU A 25 6.125 -11.354 -5.807 1.00 23.60 H new ATOM 0 HB2 GLU A 25 6.974 -12.691 -7.743 1.00 29.00 H new ATOM 0 HB3 GLU A 25 7.892 -11.233 -7.423 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.671 -12.499 -6.367 1.00 33.54 H new ATOM 0 HG3 GLU A 25 8.727 -13.974 -6.426 1.00 33.54 H new ATOM 74 N PHE A 26 5.069 -13.597 -5.472 1.00 22.47 N ATOM 75 CA PHE A 26 4.418 -14.841 -5.097 1.00 21.66 C ATOM 76 C PHE A 26 3.168 -15.083 -5.936 1.00 24.04 C ATOM 77 O PHE A 26 2.515 -14.138 -6.390 1.00 22.30 O ATOM 78 CB PHE A 26 4.072 -14.843 -3.601 1.00 23.47 C ATOM 79 CG PHE A 26 3.293 -13.643 -3.139 1.00 21.92 C ATOM 80 CD1 PHE A 26 3.938 -12.456 -2.833 1.00 23.12 C ATOM 81 CD2 PHE A 26 1.917 -13.707 -3.002 1.00 22.79 C ATOM 82 CE1 PHE A 26 3.226 -11.357 -2.400 1.00 24.88 C ATOM 83 CE2 PHE A 26 1.199 -12.610 -2.567 1.00 25.76 C ATOM 84 CZ PHE A 26 1.854 -11.433 -2.267 1.00 26.66 C ATOM 0 H PHE A 26 4.456 -12.911 -5.913 1.00 22.47 H new ATOM 0 HA PHE A 26 5.116 -15.655 -5.291 1.00 21.66 H new ATOM 0 HB2 PHE A 26 3.498 -15.742 -3.375 1.00 23.47 H new ATOM 0 HB3 PHE A 26 4.997 -14.903 -3.027 1.00 23.47 H new ATOM 0 HD1 PHE A 26 5.011 -12.390 -2.935 1.00 23.12 H new ATOM 0 HD2 PHE A 26 1.399 -14.625 -3.238 1.00 22.79 H new ATOM 0 HE1 PHE A 26 3.742 -10.437 -2.165 1.00 24.88 H new ATOM 0 HE2 PHE A 26 0.126 -12.673 -2.462 1.00 25.76 H new ATOM 0 HZ PHE A 26 1.295 -10.573 -1.929 1.00 26.66 H new ATOM 94 N ARG A 27 2.853 -16.350 -6.154 1.00 22.71 N ATOM 95 CA ARG A 27 1.685 -16.727 -6.931 1.00 22.16 C ATOM 96 C ARG A 27 0.442 -16.694 -6.053 1.00 22.93 C ATOM 97 O ARG A 27 0.285 -17.524 -5.155 1.00 23.03 O ATOM 98 CB ARG A 27 1.851 -18.130 -7.512 1.00 25.12 C ATOM 99 CG ARG A 27 2.970 -18.268 -8.533 1.00 24.95 C ATOM 100 CD ARG A 27 3.167 -19.727 -8.916 1.00 29.77 C ATOM 101 NE ARG A 27 4.125 -19.907 -10.007 1.00 40.26 N ATOM 102 CZ ARG A 27 4.612 -21.093 -10.374 1.00 43.84 C ATOM 103 NH1 ARG A 27 4.254 -22.193 -9.719 1.00 42.26 N ATOM 104 NH2 ARG A 27 5.453 -21.182 -11.393 1.00 53.40 N ATOM 0 H ARG A 27 3.395 -17.139 -5.801 1.00 22.71 H new ATOM 0 HA ARG A 27 1.577 -16.014 -7.749 1.00 22.16 H new ATOM 0 HB2 ARG A 27 2.036 -18.827 -6.695 1.00 25.12 H new ATOM 0 HB3 ARG A 27 0.913 -18.428 -7.979 1.00 25.12 H new ATOM 0 HG2 ARG A 27 2.734 -17.682 -9.421 1.00 24.95 H new ATOM 0 HG3 ARG A 27 3.896 -17.866 -8.122 1.00 24.95 H new ATOM 0 HD2 ARG A 27 3.510 -20.283 -8.043 1.00 29.77 H new ATOM 0 HD3 ARG A 27 2.207 -20.153 -9.209 1.00 29.77 H new ATOM 0 HE ARG A 27 4.438 -19.080 -10.515 1.00 40.26 H new ATOM 0 HH11 ARG A 27 3.606 -22.131 -8.934 1.00 42.26 H new ATOM 0 HH12 ARG A 27 4.628 -23.099 -10.001 1.00 42.26 H new ATOM 0 HH21 ARG A 27 5.730 -20.342 -11.900 1.00 53.40 H new ATOM 0 HH22 ARG A 27 5.823 -22.091 -11.671 1.00 53.40 H new ATOM 118 N ALA A 28 -0.437 -15.741 -6.310 1.00 21.69 N ATOM 119 CA ALA A 28 -1.663 -15.607 -5.540 1.00 21.30 C ATOM 120 C ALA A 28 -2.782 -15.050 -6.405 1.00 21.54 C ATOM 121 O ALA A 28 -2.548 -14.205 -7.272 1.00 22.17 O ATOM 122 CB ALA A 28 -1.443 -14.725 -4.318 1.00 23.20 C ATOM 0 H ALA A 28 -0.325 -15.046 -7.048 1.00 21.69 H new ATOM 0 HA ALA A 28 -1.955 -16.599 -5.196 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -2.374 -14.640 -3.758 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.677 -15.169 -3.682 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -1.120 -13.734 -4.638 1.00 23.20 H new ATOM 128 N GLY A 29 -3.989 -15.534 -6.180 1.00 21.31 N ATOM 129 CA GLY A 29 -5.126 -15.065 -6.937 1.00 23.36 C ATOM 130 C GLY A 29 -5.808 -13.914 -6.236 1.00 24.59 C ATOM 131 O GLY A 29 -5.940 -13.923 -5.014 1.00 24.46 O ATOM 0 H GLY A 29 -4.203 -16.247 -5.483 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.802 -14.750 -7.929 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.835 -15.881 -7.078 1.00 23.36 H new ATOM 135 N LYS A 30 -6.227 -12.916 -6.994 1.00 23.00 N ATOM 136 CA LYS A 30 -6.889 -11.760 -6.417 1.00 21.15 C ATOM 137 C LYS A 30 -8.392 -11.991 -6.334 1.00 23.64 C ATOM 138 O LYS A 30 -8.887 -13.071 -6.654 1.00 24.84 O ATOM 139 CB LYS A 30 -6.597 -10.512 -7.249 1.00 23.49 C ATOM 140 CG LYS A 30 -7.217 -10.547 -8.637 1.00 27.46 C ATOM 141 CD LYS A 30 -7.283 -9.160 -9.248 1.00 31.74 C ATOM 142 CE LYS A 30 -7.927 -9.190 -10.623 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.905 -7.856 -11.275 1.00 36.43 N ATOM 0 H LYS A 30 -6.121 -12.883 -8.008 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.503 -11.611 -5.409 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -6.967 -9.636 -6.717 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.518 -10.394 -7.345 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -6.632 -11.203 -9.282 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.220 -10.969 -8.579 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -7.851 -8.499 -8.593 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -6.277 -8.746 -9.325 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -7.405 -9.910 -11.253 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.958 -9.533 -10.534 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -7.859 -7.975 -12.307 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -8.769 -7.333 -11.025 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.072 -7.324 -10.950 1.00 36.43 H new ATOM 157 N MET A 31 -9.109 -10.972 -5.893 1.00 25.36 N ATOM 158 CA MET A 31 -10.555 -11.040 -5.780 1.00 27.00 C ATOM 159 C MET A 31 -11.156 -9.740 -6.296 1.00 27.82 C ATOM 160 O MET A 31 -10.518 -8.690 -6.229 1.00 32.62 O ATOM 161 CB MET A 31 -10.981 -11.287 -4.326 1.00 24.59 C ATOM 162 CG MET A 31 -10.308 -12.495 -3.687 1.00 24.61 C ATOM 163 SD MET A 31 -11.300 -13.240 -2.376 1.00 26.00 S ATOM 164 CE MET A 31 -10.203 -14.548 -1.830 1.00 24.15 C ATOM 0 H MET A 31 -8.708 -10.079 -5.605 1.00 25.36 H new ATOM 0 HA MET A 31 -10.920 -11.875 -6.378 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.753 -10.400 -3.734 1.00 24.59 H new ATOM 0 HB3 MET A 31 -12.062 -11.424 -4.292 1.00 24.59 H new ATOM 0 HG2 MET A 31 -10.110 -13.243 -4.455 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.343 -12.194 -3.279 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.708 -15.158 -1.081 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.929 -15.172 -2.681 1.00 24.15 H new ATOM 0 HE3 MET A 31 -9.304 -14.111 -1.395 1.00 24.15 H new ATOM 174 N SER A 32 -12.367 -9.812 -6.821 1.00 25.88 N ATOM 175 CA SER A 32 -13.039 -8.636 -7.349 1.00 31.55 C ATOM 176 C SER A 32 -14.322 -8.359 -6.575 1.00 35.12 C ATOM 177 O SER A 32 -14.919 -9.272 -6.002 1.00 33.62 O ATOM 178 CB SER A 32 -13.343 -8.832 -8.835 1.00 37.48 C ATOM 179 OG SER A 32 -12.155 -9.107 -9.557 1.00 45.53 O ATOM 0 H SER A 32 -12.907 -10.675 -6.893 1.00 25.88 H new ATOM 0 HA SER A 32 -12.380 -7.775 -7.235 1.00 31.55 H new ATOM 0 HB2 SER A 32 -14.050 -9.652 -8.962 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.819 -7.937 -9.235 1.00 37.48 H new ATOM 0 HG SER A 32 -12.370 -9.231 -10.505 1.00 45.53 H new ATOM 185 N LEU A 33 -14.740 -7.102 -6.554 1.00 42.07 N ATOM 186 CA LEU A 33 -15.953 -6.721 -5.846 1.00 44.29 C ATOM 187 C LEU A 33 -17.151 -6.712 -6.790 1.00 50.09 C ATOM 188 O LEU A 33 -17.412 -5.722 -7.476 1.00 52.46 O ATOM 189 CB LEU A 33 -15.780 -5.345 -5.195 1.00 46.72 C ATOM 190 CG LEU A 33 -16.078 -5.297 -3.694 1.00 51.34 C ATOM 191 CD1 LEU A 33 -15.689 -3.947 -3.117 1.00 57.04 C ATOM 192 CD2 LEU A 33 -17.549 -5.582 -3.426 1.00 54.38 C ATOM 0 H LEU A 33 -14.259 -6.331 -7.017 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.138 -7.458 -5.065 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -14.756 -5.009 -5.358 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -16.433 -4.635 -5.703 1.00 46.72 H new ATOM 0 HG LEU A 33 -15.484 -6.069 -3.205 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -15.908 -3.931 -2.049 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -14.623 -3.779 -3.272 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -16.256 -3.161 -3.615 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -17.738 -5.543 -2.353 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -18.162 -4.835 -3.930 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -17.802 -6.573 -3.803 1.00 54.38 H new ATOM 204 N LYS A 34 -17.869 -7.824 -6.822 1.00 52.69 N ATOM 205 CA LYS A 34 -19.046 -7.965 -7.667 1.00 53.15 C ATOM 206 C LYS A 34 -20.260 -7.376 -6.958 1.00 56.50 C ATOM 207 O LYS A 34 -20.853 -8.015 -6.084 1.00 56.84 O ATOM 208 CB LYS A 34 -19.278 -9.444 -7.993 1.00 2.00 C ATOM 209 CG LYS A 34 -20.592 -9.736 -8.705 1.00 2.00 C ATOM 210 CD LYS A 34 -20.901 -11.224 -8.687 1.00 2.00 C ATOM 211 CE LYS A 34 -22.337 -11.506 -9.091 1.00 2.00 C ATOM 212 NZ LYS A 34 -22.719 -12.917 -8.819 1.00 2.00 N ATOM 0 H LYS A 34 -17.654 -8.651 -6.266 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.890 -7.425 -8.601 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -18.456 -9.799 -8.615 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.247 -10.016 -7.066 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -21.401 -9.187 -8.223 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -20.538 -9.384 -9.735 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -20.224 -11.744 -9.365 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -20.720 -11.621 -7.688 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -23.005 -10.837 -8.549 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -22.465 -11.293 -10.152 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -23.706 -13.071 -9.108 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -22.097 -13.555 -9.356 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -22.621 -13.113 -7.802 1.00 2.00 H new ATOM 226 N GLY A 35 -20.608 -6.148 -7.317 1.00 57.85 N ATOM 227 CA GLY A 35 -21.738 -5.482 -6.702 1.00 55.33 C ATOM 228 C GLY A 35 -21.439 -5.084 -5.271 1.00 54.05 C ATOM 229 O GLY A 35 -21.045 -3.950 -4.998 1.00 55.43 O ATOM 0 H GLY A 35 -20.124 -5.599 -8.027 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -21.997 -4.595 -7.280 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.606 -6.142 -6.723 1.00 55.33 H new ATOM 233 N THR A 36 -21.615 -6.025 -4.359 1.00 51.72 N ATOM 234 CA THR A 36 -21.355 -5.787 -2.953 1.00 51.05 C ATOM 235 C THR A 36 -20.748 -7.036 -2.314 1.00 46.50 C ATOM 236 O THR A 36 -20.528 -7.088 -1.103 1.00 45.65 O ATOM 237 CB THR A 36 -22.649 -5.374 -2.208 1.00 51.58 C ATOM 238 OG1 THR A 36 -22.340 -4.904 -0.890 1.00 60.43 O ATOM 239 CG2 THR A 36 -23.629 -6.535 -2.120 1.00 49.93 C ATOM 0 H THR A 36 -21.940 -6.968 -4.572 1.00 51.72 H new ATOM 0 HA THR A 36 -20.644 -4.965 -2.871 1.00 51.05 H new ATOM 0 HB THR A 36 -23.115 -4.570 -2.777 1.00 51.58 H new ATOM 0 HG1 THR A 36 -21.533 -5.354 -0.563 1.00 60.43 H new ATOM 0 HG21 THR A 36 -24.527 -6.214 -1.592 1.00 49.93 H new ATOM 0 HG22 THR A 36 -23.896 -6.862 -3.125 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.167 -7.361 -1.580 1.00 49.93 H new ATOM 247 N THR A 37 -20.452 -8.027 -3.146 1.00 41.86 N ATOM 248 CA THR A 37 -19.882 -9.279 -2.674 1.00 36.46 C ATOM 249 C THR A 37 -18.488 -9.488 -3.248 1.00 36.55 C ATOM 250 O THR A 37 -18.238 -9.201 -4.419 1.00 36.77 O ATOM 251 CB THR A 37 -20.775 -10.470 -3.070 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.156 -10.102 -2.951 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.496 -11.682 -2.193 1.00 40.62 C ATOM 0 H THR A 37 -20.599 -7.986 -4.155 1.00 41.86 H new ATOM 0 HA THR A 37 -19.819 -9.223 -1.587 1.00 36.46 H new ATOM 0 HB THR A 37 -20.550 -10.733 -4.103 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.720 -10.862 -3.205 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.141 -12.507 -2.496 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.453 -11.978 -2.303 1.00 40.62 H new ATOM 0 HG23 THR A 37 -20.694 -11.430 -1.151 1.00 40.62 H new ATOM 261 N VAL A 38 -17.574 -9.967 -2.419 1.00 33.78 N ATOM 262 CA VAL A 38 -16.209 -10.220 -2.853 1.00 28.48 C ATOM 263 C VAL A 38 -16.109 -11.581 -3.543 1.00 29.22 C ATOM 264 O VAL A 38 -16.275 -12.626 -2.911 1.00 31.27 O ATOM 265 CB VAL A 38 -15.219 -10.160 -1.667 1.00 29.43 C ATOM 266 CG1 VAL A 38 -13.805 -10.491 -2.120 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.261 -8.788 -1.005 1.00 31.46 C ATOM 0 H VAL A 38 -17.753 -10.189 -1.440 1.00 33.78 H new ATOM 0 HA VAL A 38 -15.940 -9.438 -3.563 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.523 -10.908 -0.935 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -13.129 -10.442 -1.267 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.784 -11.496 -2.542 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.488 -9.773 -2.876 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -14.558 -8.764 -0.172 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -14.987 -8.024 -1.733 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -16.268 -8.593 -0.635 1.00 31.46 H new ATOM 277 N THR A 39 -15.846 -11.557 -4.838 1.00 27.35 N ATOM 278 CA THR A 39 -15.728 -12.773 -5.624 1.00 27.23 C ATOM 279 C THR A 39 -14.266 -13.070 -5.944 1.00 28.27 C ATOM 280 O THR A 39 -13.586 -12.249 -6.563 1.00 28.17 O ATOM 281 CB THR A 39 -16.517 -12.645 -6.939 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.744 -11.946 -6.704 1.00 34.63 O ATOM 283 CG2 THR A 39 -16.817 -14.014 -7.530 1.00 37.07 C ATOM 0 H THR A 39 -15.709 -10.699 -5.372 1.00 27.35 H new ATOM 0 HA THR A 39 -16.139 -13.592 -5.034 1.00 27.23 H new ATOM 0 HB THR A 39 -15.907 -12.087 -7.649 1.00 32.67 H new ATOM 0 HG1 THR A 39 -18.311 -12.004 -7.501 1.00 34.63 H new ATOM 0 HG21 THR A 39 -17.375 -13.895 -8.459 1.00 37.07 H new ATOM 0 HG22 THR A 39 -15.882 -14.535 -7.733 1.00 37.07 H new ATOM 0 HG23 THR A 39 -17.409 -14.594 -6.822 1.00 37.07 H new ATOM 291 N PRO A 40 -13.755 -14.232 -5.505 1.00 26.41 N ATOM 292 CA PRO A 40 -12.368 -14.630 -5.760 1.00 25.74 C ATOM 293 C PRO A 40 -12.119 -14.941 -7.232 1.00 27.33 C ATOM 294 O PRO A 40 -12.940 -15.588 -7.885 1.00 29.54 O ATOM 295 CB PRO A 40 -12.179 -15.901 -4.918 1.00 27.62 C ATOM 296 CG PRO A 40 -13.366 -15.966 -4.011 1.00 30.25 C ATOM 297 CD PRO A 40 -14.474 -15.245 -4.718 1.00 27.97 C ATOM 0 HA PRO A 40 -11.673 -13.830 -5.504 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -12.122 -16.786 -5.552 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -11.252 -15.858 -4.347 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.643 -17.000 -3.806 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -13.148 -15.498 -3.051 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -15.052 -15.916 -5.354 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -15.173 -14.790 -4.016 1.00 27.97 H new ATOM 305 N ASP A 41 -10.992 -14.478 -7.752 1.00 27.01 N ATOM 306 CA ASP A 41 -10.641 -14.722 -9.145 1.00 28.40 C ATOM 307 C ASP A 41 -9.930 -16.065 -9.255 1.00 29.86 C ATOM 308 O ASP A 41 -9.007 -16.348 -8.491 1.00 28.83 O ATOM 309 CB ASP A 41 -9.755 -13.598 -9.688 1.00 28.84 C ATOM 310 CG ASP A 41 -9.919 -13.390 -11.184 1.00 32.16 C ATOM 311 OD1 ASP A 41 -9.802 -14.370 -11.946 1.00 34.80 O ATOM 312 OD2 ASP A 41 -10.157 -12.237 -11.609 1.00 35.13 O ATOM 0 H ASP A 41 -10.305 -13.932 -7.232 1.00 27.01 H new ATOM 0 HA ASP A 41 -11.552 -14.745 -9.744 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.994 -12.670 -9.168 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.712 -13.826 -9.470 1.00 28.84 H new ATOM 317 N LYS A 42 -10.361 -16.883 -10.202 1.00 30.36 N ATOM 318 CA LYS A 42 -9.792 -18.212 -10.391 1.00 30.52 C ATOM 319 C LYS A 42 -8.667 -18.208 -11.422 1.00 29.13 C ATOM 320 O LYS A 42 -8.430 -19.212 -12.096 1.00 33.35 O ATOM 321 CB LYS A 42 -10.883 -19.186 -10.841 1.00 34.43 C ATOM 322 CG LYS A 42 -12.027 -19.341 -9.852 1.00 40.16 C ATOM 323 CD LYS A 42 -13.178 -20.117 -10.469 1.00 53.68 C ATOM 324 CE LYS A 42 -14.222 -20.493 -9.431 1.00 57.99 C ATOM 325 NZ LYS A 42 -15.382 -21.190 -10.043 1.00 50.24 N ATOM 0 H LYS A 42 -11.108 -16.650 -10.857 1.00 30.36 H new ATOM 0 HA LYS A 42 -9.375 -18.528 -9.435 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -11.286 -18.847 -11.795 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -10.433 -20.163 -11.015 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -11.673 -19.857 -8.959 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -12.375 -18.358 -9.536 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -13.643 -19.518 -11.252 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -12.795 -21.020 -10.944 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -13.769 -21.135 -8.676 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -14.566 -19.594 -8.920 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -16.072 -21.430 -9.303 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -15.830 -20.568 -10.746 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -15.057 -22.061 -10.509 1.00 50.24 H new ATOM 339 N ARG A 43 -7.971 -17.096 -11.550 1.00 27.87 N ATOM 340 CA ARG A 43 -6.883 -17.009 -12.513 1.00 26.95 C ATOM 341 C ARG A 43 -5.526 -17.105 -11.831 1.00 27.24 C ATOM 342 O ARG A 43 -5.371 -16.721 -10.670 1.00 26.67 O ATOM 343 CB ARG A 43 -6.970 -15.710 -13.307 1.00 29.39 C ATOM 344 CG ARG A 43 -8.002 -15.750 -14.416 1.00 31.56 C ATOM 345 CD ARG A 43 -8.090 -14.411 -15.114 1.00 30.38 C ATOM 346 NE ARG A 43 -8.468 -13.347 -14.191 1.00 29.25 N ATOM 347 CZ ARG A 43 -8.035 -12.094 -14.282 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.101 -11.774 -15.165 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.501 -11.172 -13.454 1.00 30.67 N ATOM 0 H ARG A 43 -8.134 -16.247 -11.008 1.00 27.87 H new ATOM 0 HA ARG A 43 -6.984 -17.853 -13.195 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -7.210 -14.893 -12.627 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -5.993 -15.490 -13.738 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -7.739 -16.524 -15.136 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -8.976 -16.015 -14.004 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -7.128 -14.174 -15.569 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -8.820 -14.469 -15.922 1.00 30.38 H new ATOM 0 HE ARG A 43 -9.104 -13.579 -13.428 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -6.712 -12.490 -15.778 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -6.771 -10.811 -15.232 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -9.192 -11.424 -12.747 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -8.169 -10.210 -13.523 1.00 30.67 H new ATOM 363 N LYS A 44 -4.553 -17.630 -12.560 1.00 27.38 N ATOM 364 CA LYS A 44 -3.199 -17.767 -12.055 1.00 24.82 C ATOM 365 C LYS A 44 -2.465 -16.443 -12.208 1.00 25.07 C ATOM 366 O LYS A 44 -2.063 -16.069 -13.308 1.00 25.72 O ATOM 367 CB LYS A 44 -2.458 -18.874 -12.810 1.00 31.68 C ATOM 368 CG LYS A 44 -3.032 -20.261 -12.575 1.00 36.95 C ATOM 369 CD LYS A 44 -2.254 -21.317 -13.343 1.00 40.69 C ATOM 370 CE LYS A 44 -2.732 -22.721 -13.015 1.00 45.64 C ATOM 371 NZ LYS A 44 -1.927 -23.758 -13.714 1.00 49.09 N ATOM 0 H LYS A 44 -4.680 -17.971 -13.513 1.00 27.38 H new ATOM 0 HA LYS A 44 -3.237 -18.038 -11.000 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -2.485 -18.655 -13.877 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -1.410 -18.868 -12.510 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -3.008 -20.491 -11.510 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -4.078 -20.281 -12.882 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -2.358 -21.138 -14.413 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -1.193 -21.230 -13.107 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -2.675 -22.882 -11.938 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -3.780 -22.823 -13.298 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -2.285 -24.702 -13.464 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -2.001 -23.621 -14.742 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -0.931 -23.677 -13.425 1.00 49.09 H new ATOM 385 N GLY A 45 -2.311 -15.729 -11.109 1.00 25.23 N ATOM 386 CA GLY A 45 -1.646 -14.449 -11.160 1.00 22.86 C ATOM 387 C GLY A 45 -0.413 -14.399 -10.293 1.00 20.43 C ATOM 388 O GLY A 45 -0.221 -15.241 -9.413 1.00 22.06 O ATOM 0 H GLY A 45 -2.634 -16.012 -10.184 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -1.369 -14.229 -12.191 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -2.340 -13.671 -10.843 1.00 22.86 H new ATOM 392 N LEU A 46 0.427 -13.419 -10.558 1.00 20.38 N ATOM 393 CA LEU A 46 1.649 -13.227 -9.808 1.00 20.77 C ATOM 394 C LEU A 46 1.634 -11.853 -9.159 1.00 23.10 C ATOM 395 O LEU A 46 1.570 -10.832 -9.848 1.00 23.65 O ATOM 396 CB LEU A 46 2.868 -13.360 -10.724 1.00 23.04 C ATOM 397 CG LEU A 46 4.219 -13.110 -10.050 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.615 -14.298 -9.189 1.00 27.21 C ATOM 399 CD2 LEU A 46 5.289 -12.819 -11.088 1.00 26.03 C ATOM 0 H LEU A 46 0.281 -12.734 -11.299 1.00 20.38 H new ATOM 0 HA LEU A 46 1.714 -13.993 -9.036 1.00 20.77 H new ATOM 0 HB2 LEU A 46 2.873 -14.362 -11.152 1.00 23.04 H new ATOM 0 HB3 LEU A 46 2.758 -12.660 -11.552 1.00 23.04 H new ATOM 0 HG LEU A 46 4.124 -12.237 -9.404 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.578 -14.101 -8.718 1.00 27.21 H new ATOM 0 HD12 LEU A 46 3.860 -14.457 -8.419 1.00 27.21 H new ATOM 0 HD13 LEU A 46 4.691 -15.189 -9.812 1.00 27.21 H new ATOM 0 HD21 LEU A 46 6.242 -12.644 -10.589 1.00 26.03 H new ATOM 0 HD22 LEU A 46 5.383 -13.670 -11.762 1.00 26.03 H new ATOM 0 HD23 LEU A 46 5.011 -11.933 -11.659 1.00 26.03 H new ATOM 411 N VAL A 47 1.663 -11.833 -7.840 1.00 21.70 N ATOM 412 CA VAL A 47 1.671 -10.582 -7.102 1.00 22.89 C ATOM 413 C VAL A 47 3.099 -10.249 -6.725 1.00 23.42 C ATOM 414 O VAL A 47 3.775 -11.051 -6.077 1.00 22.22 O ATOM 415 CB VAL A 47 0.808 -10.645 -5.823 1.00 20.99 C ATOM 416 CG1 VAL A 47 0.131 -9.308 -5.571 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.220 -11.759 -5.913 1.00 19.99 C ATOM 0 H VAL A 47 1.681 -12.669 -7.256 1.00 21.70 H new ATOM 0 HA VAL A 47 1.243 -9.812 -7.744 1.00 22.89 H new ATOM 0 HB VAL A 47 1.465 -10.863 -4.981 1.00 20.99 H new ATOM 0 HG11 VAL A 47 -0.473 -9.371 -4.666 1.00 24.03 H new ATOM 0 HG12 VAL A 47 0.889 -8.534 -5.449 1.00 24.03 H new ATOM 0 HG13 VAL A 47 -0.509 -9.059 -6.418 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -0.814 -11.781 -4.999 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -0.874 -11.582 -6.767 1.00 19.99 H new ATOM 0 HG23 VAL A 47 0.289 -12.715 -6.038 1.00 19.99 H new ATOM 427 N TYR A 48 3.572 -9.091 -7.141 1.00 22.85 N ATOM 428 CA TYR A 48 4.937 -8.707 -6.844 1.00 23.49 C ATOM 429 C TYR A 48 5.028 -7.280 -6.331 1.00 21.86 C ATOM 430 O TYR A 48 4.149 -6.452 -6.577 1.00 23.94 O ATOM 431 CB TYR A 48 5.827 -8.886 -8.080 1.00 25.01 C ATOM 432 CG TYR A 48 5.324 -8.196 -9.334 1.00 28.77 C ATOM 433 CD1 TYR A 48 5.409 -6.816 -9.475 1.00 31.32 C ATOM 434 CD2 TYR A 48 4.784 -8.929 -10.383 1.00 30.08 C ATOM 435 CE1 TYR A 48 4.971 -6.188 -10.623 1.00 31.62 C ATOM 436 CE2 TYR A 48 4.341 -8.306 -11.535 1.00 31.24 C ATOM 437 CZ TYR A 48 4.437 -6.935 -11.649 1.00 33.90 C ATOM 438 OH TYR A 48 4.009 -6.308 -12.797 1.00 40.45 O ATOM 0 H TYR A 48 3.039 -8.407 -7.679 1.00 22.85 H new ATOM 0 HA TYR A 48 5.293 -9.364 -6.051 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.823 -8.509 -7.850 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.929 -9.952 -8.285 1.00 25.01 H new ATOM 0 HD1 TYR A 48 5.825 -6.225 -8.672 1.00 31.32 H new ATOM 0 HD2 TYR A 48 4.709 -10.003 -10.297 1.00 30.08 H new ATOM 0 HE1 TYR A 48 5.047 -5.115 -10.716 1.00 31.62 H new ATOM 0 HE2 TYR A 48 3.922 -8.890 -12.341 1.00 31.24 H new ATOM 0 HH TYR A 48 3.660 -6.976 -13.424 1.00 40.45 H new ATOM 448 N ILE A 49 6.096 -7.015 -5.603 1.00 22.39 N ATOM 449 CA ILE A 49 6.357 -5.701 -5.056 1.00 23.58 C ATOM 450 C ILE A 49 7.454 -5.029 -5.867 1.00 27.61 C ATOM 451 O ILE A 49 8.632 -5.386 -5.756 1.00 27.30 O ATOM 452 CB ILE A 49 6.779 -5.777 -3.574 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.683 -6.452 -2.742 1.00 27.10 C ATOM 454 CG2 ILE A 49 7.083 -4.385 -3.039 1.00 27.09 C ATOM 455 CD1 ILE A 49 6.024 -6.590 -1.274 1.00 25.36 C ATOM 0 H ILE A 49 6.808 -7.709 -5.375 1.00 22.39 H new ATOM 0 HA ILE A 49 5.437 -5.119 -5.112 1.00 23.58 H new ATOM 0 HB ILE A 49 7.685 -6.378 -3.498 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.762 -5.877 -2.838 1.00 27.10 H new ATOM 0 HG13 ILE A 49 5.486 -7.442 -3.154 1.00 27.10 H new ATOM 0 HG21 ILE A 49 7.379 -4.454 -1.992 1.00 27.09 H new ATOM 0 HG22 ILE A 49 7.894 -3.942 -3.617 1.00 27.09 H new ATOM 0 HG23 ILE A 49 6.194 -3.760 -3.124 1.00 27.09 H new ATOM 0 HD11 ILE A 49 5.199 -7.077 -0.753 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.927 -7.191 -1.165 1.00 25.36 H new ATOM 0 HD13 ILE A 49 6.192 -5.602 -0.845 1.00 25.36 H new ATOM 467 N GLN A 50 7.061 -4.086 -6.702 1.00 27.71 N ATOM 468 CA GLN A 50 8.005 -3.375 -7.546 1.00 32.14 C ATOM 469 C GLN A 50 8.399 -2.051 -6.906 1.00 32.00 C ATOM 470 O GLN A 50 7.544 -1.236 -6.566 1.00 30.85 O ATOM 471 CB GLN A 50 7.394 -3.141 -8.928 1.00 36.37 C ATOM 472 CG GLN A 50 8.361 -2.545 -9.937 1.00 39.34 C ATOM 473 CD GLN A 50 7.724 -2.325 -11.296 1.00 45.99 C ATOM 474 OE1 GLN A 50 6.520 -2.089 -11.401 1.00 55.21 O ATOM 475 NE2 GLN A 50 8.522 -2.410 -12.345 1.00 53.40 N ATOM 0 H GLN A 50 6.091 -3.793 -6.815 1.00 27.71 H new ATOM 0 HA GLN A 50 8.904 -3.981 -7.657 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.020 -4.089 -9.314 1.00 36.37 H new ATOM 0 HB3 GLN A 50 6.535 -2.477 -8.827 1.00 36.37 H new ATOM 0 HG2 GLN A 50 8.736 -1.595 -9.558 1.00 39.34 H new ATOM 0 HG3 GLN A 50 9.221 -3.206 -10.046 1.00 39.34 H new ATOM 0 HE21 GLN A 50 9.514 -2.607 -12.216 1.00 53.40 H new ATOM 0 HE22 GLN A 50 8.146 -2.278 -13.284 1.00 53.40 H new ATOM 484 N GLN A 51 9.691 -1.846 -6.724 1.00 32.95 N ATOM 485 CA GLN A 51 10.178 -0.613 -6.134 1.00 32.74 C ATOM 486 C GLN A 51 10.732 0.296 -7.219 1.00 36.30 C ATOM 487 O GLN A 51 11.857 0.112 -7.688 1.00 38.61 O ATOM 488 CB GLN A 51 11.246 -0.898 -5.081 1.00 33.49 C ATOM 489 CG GLN A 51 11.212 0.076 -3.917 1.00 36.02 C ATOM 490 CD GLN A 51 12.281 -0.206 -2.884 1.00 40.59 C ATOM 491 OE1 GLN A 51 13.391 -0.622 -3.215 1.00 47.50 O ATOM 492 NE2 GLN A 51 11.952 0.015 -1.622 1.00 36.66 N ATOM 0 H GLN A 51 10.419 -2.515 -6.975 1.00 32.95 H new ATOM 0 HA GLN A 51 9.345 -0.112 -5.641 1.00 32.74 H new ATOM 0 HB2 GLN A 51 11.113 -1.911 -4.703 1.00 33.49 H new ATOM 0 HB3 GLN A 51 12.229 -0.860 -5.550 1.00 33.49 H new ATOM 0 HG2 GLN A 51 11.337 1.091 -4.295 1.00 36.02 H new ATOM 0 HG3 GLN A 51 10.233 0.032 -3.441 1.00 36.02 H new ATOM 0 HE21 GLN A 51 11.020 0.360 -1.391 1.00 36.66 H new ATOM 0 HE22 GLN A 51 12.630 -0.160 -0.880 1.00 36.66 H new ATOM 501 N THR A 52 9.930 1.262 -7.623 1.00 32.79 N ATOM 502 CA THR A 52 10.313 2.199 -8.663 1.00 35.62 C ATOM 503 C THR A 52 11.258 3.272 -8.120 1.00 34.85 C ATOM 504 O THR A 52 11.517 3.332 -6.914 1.00 33.85 O ATOM 505 CB THR A 52 9.059 2.853 -9.264 1.00 36.57 C ATOM 506 OG1 THR A 52 7.961 2.690 -8.352 1.00 36.03 O ATOM 507 CG2 THR A 52 8.703 2.227 -10.608 1.00 36.33 C ATOM 0 H THR A 52 8.997 1.420 -7.241 1.00 32.79 H new ATOM 0 HA THR A 52 10.841 1.648 -9.441 1.00 35.62 H new ATOM 0 HB THR A 52 9.262 3.912 -9.425 1.00 36.57 H new ATOM 0 HG1 THR A 52 8.156 3.165 -7.517 1.00 36.03 H new ATOM 0 HG21 THR A 52 7.812 2.709 -11.009 1.00 36.33 H new ATOM 0 HG22 THR A 52 9.532 2.361 -11.303 1.00 36.33 H new ATOM 0 HG23 THR A 52 8.510 1.163 -10.474 1.00 36.33 H new ATOM 515 N ASP A 53 11.762 4.122 -9.010 1.00 40.95 N ATOM 516 CA ASP A 53 12.687 5.190 -8.626 1.00 43.16 C ATOM 517 C ASP A 53 11.965 6.306 -7.875 1.00 43.44 C ATOM 518 O ASP A 53 12.585 7.268 -7.419 1.00 42.75 O ATOM 519 CB ASP A 53 13.394 5.759 -9.861 1.00 50.66 C ATOM 520 CG ASP A 53 12.541 6.747 -10.631 1.00 58.97 C ATOM 521 OD1 ASP A 53 11.577 6.315 -11.296 1.00 70.66 O ATOM 522 OD2 ASP A 53 12.833 7.959 -10.579 1.00 70.60 O ATOM 0 H ASP A 53 11.546 4.094 -10.006 1.00 40.95 H new ATOM 0 HA ASP A 53 13.432 4.758 -7.958 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.317 6.249 -9.551 1.00 50.66 H new ATOM 0 HB3 ASP A 53 13.675 4.939 -10.521 1.00 50.66 H new ATOM 527 N ASP A 54 10.653 6.169 -7.744 1.00 39.48 N ATOM 528 CA ASP A 54 9.837 7.148 -7.034 1.00 39.12 C ATOM 529 C ASP A 54 9.952 6.935 -5.530 1.00 37.04 C ATOM 530 O ASP A 54 9.369 7.682 -4.738 1.00 37.46 O ATOM 531 CB ASP A 54 8.364 7.059 -7.467 1.00 40.13 C ATOM 532 CG ASP A 54 7.791 5.648 -7.409 1.00 38.54 C ATOM 533 OD1 ASP A 54 8.414 4.760 -6.787 1.00 36.07 O ATOM 534 OD2 ASP A 54 6.721 5.417 -8.006 1.00 42.19 O ATOM 0 H ASP A 54 10.126 5.383 -8.123 1.00 39.48 H new ATOM 0 HA ASP A 54 10.207 8.142 -7.285 1.00 39.12 H new ATOM 0 HB2 ASP A 54 7.767 7.710 -6.828 1.00 40.13 H new ATOM 0 HB3 ASP A 54 8.270 7.438 -8.485 1.00 40.13 H new ATOM 539 N SER A 55 10.710 5.899 -5.162 1.00 33.99 N ATOM 540 CA SER A 55 10.942 5.538 -3.769 1.00 31.71 C ATOM 541 C SER A 55 9.641 5.082 -3.112 1.00 28.99 C ATOM 542 O SER A 55 9.453 5.230 -1.904 1.00 29.99 O ATOM 543 CB SER A 55 11.561 6.715 -3.005 1.00 40.69 C ATOM 544 OG SER A 55 12.684 7.238 -3.703 1.00 39.56 O ATOM 0 H SER A 55 11.180 5.287 -5.828 1.00 33.99 H new ATOM 0 HA SER A 55 11.647 4.707 -3.737 1.00 31.71 H new ATOM 0 HB2 SER A 55 10.815 7.498 -2.869 1.00 40.69 H new ATOM 0 HB3 SER A 55 11.865 6.389 -2.011 1.00 40.69 H new ATOM 0 HG SER A 55 13.062 7.989 -3.199 1.00 39.56 H new ATOM 550 N LEU A 56 8.747 4.523 -3.920 1.00 31.45 N ATOM 551 CA LEU A 56 7.468 4.044 -3.426 1.00 28.30 C ATOM 552 C LEU A 56 7.287 2.567 -3.745 1.00 28.13 C ATOM 553 O LEU A 56 8.020 2.002 -4.560 1.00 30.03 O ATOM 554 CB LEU A 56 6.328 4.864 -4.031 1.00 29.92 C ATOM 555 CG LEU A 56 6.345 6.348 -3.659 1.00 28.23 C ATOM 556 CD1 LEU A 56 5.336 7.121 -4.492 1.00 31.16 C ATOM 557 CD2 LEU A 56 6.067 6.527 -2.173 1.00 29.13 C ATOM 0 H LEU A 56 8.888 4.392 -4.922 1.00 31.45 H new ATOM 0 HA LEU A 56 7.449 4.164 -2.343 1.00 28.30 H new ATOM 0 HB2 LEU A 56 6.370 4.774 -5.117 1.00 29.92 H new ATOM 0 HB3 LEU A 56 5.379 4.434 -3.712 1.00 29.92 H new ATOM 0 HG LEU A 56 7.337 6.746 -3.873 1.00 28.23 H new ATOM 0 HD11 LEU A 56 5.364 8.174 -4.212 1.00 31.16 H new ATOM 0 HD12 LEU A 56 5.583 7.020 -5.549 1.00 31.16 H new ATOM 0 HD13 LEU A 56 4.337 6.724 -4.313 1.00 31.16 H new ATOM 0 HD21 LEU A 56 6.083 7.588 -1.925 1.00 29.13 H new ATOM 0 HD22 LEU A 56 5.088 6.113 -1.934 1.00 29.13 H new ATOM 0 HD23 LEU A 56 6.831 6.008 -1.595 1.00 29.13 H new ATOM 569 N ILE A 57 6.311 1.949 -3.100 1.00 26.76 N ATOM 570 CA ILE A 57 6.035 0.537 -3.294 1.00 25.89 C ATOM 571 C ILE A 57 4.908 0.339 -4.301 1.00 27.00 C ATOM 572 O ILE A 57 3.780 0.775 -4.084 1.00 27.45 O ATOM 573 CB ILE A 57 5.668 -0.140 -1.953 1.00 27.42 C ATOM 574 CG1 ILE A 57 6.894 -0.204 -1.035 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.089 -1.533 -2.174 1.00 28.59 C ATOM 576 CD1 ILE A 57 8.063 -0.972 -1.624 1.00 37.28 C ATOM 0 H ILE A 57 5.692 2.409 -2.432 1.00 26.76 H new ATOM 0 HA ILE A 57 6.940 0.071 -3.685 1.00 25.89 H new ATOM 0 HB ILE A 57 4.900 0.465 -1.470 1.00 27.42 H new ATOM 0 HG12 ILE A 57 7.217 0.811 -0.806 1.00 31.55 H new ATOM 0 HG13 ILE A 57 6.606 -0.668 -0.092 1.00 31.55 H new ATOM 0 HG21 ILE A 57 4.842 -1.981 -1.212 1.00 28.59 H new ATOM 0 HG22 ILE A 57 4.188 -1.460 -2.783 1.00 28.59 H new ATOM 0 HG23 ILE A 57 5.823 -2.155 -2.686 1.00 28.59 H new ATOM 0 HD11 ILE A 57 8.892 -0.973 -0.916 1.00 37.28 H new ATOM 0 HD12 ILE A 57 7.758 -1.999 -1.827 1.00 37.28 H new ATOM 0 HD13 ILE A 57 8.380 -0.497 -2.552 1.00 37.28 H new ATOM 588 N HIS A 58 5.220 -0.301 -5.412 1.00 26.83 N ATOM 589 CA HIS A 58 4.222 -0.557 -6.432 1.00 24.25 C ATOM 590 C HIS A 58 3.723 -1.988 -6.328 1.00 29.20 C ATOM 591 O HIS A 58 4.410 -2.931 -6.725 1.00 26.43 O ATOM 592 CB HIS A 58 4.783 -0.288 -7.829 1.00 27.78 C ATOM 593 CG HIS A 58 4.404 1.056 -8.371 1.00 33.31 C ATOM 594 ND1 HIS A 58 5.307 2.082 -8.551 1.00 38.84 N ATOM 595 CD2 HIS A 58 3.206 1.544 -8.770 1.00 29.13 C ATOM 596 CE1 HIS A 58 4.682 3.137 -9.031 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.406 2.839 -9.175 1.00 37.59 N ATOM 0 H HIS A 58 6.153 -0.652 -5.630 1.00 26.83 H new ATOM 0 HA HIS A 58 3.385 0.122 -6.269 1.00 24.25 H new ATOM 0 HB2 HIS A 58 5.870 -0.366 -7.798 1.00 27.78 H new ATOM 0 HB3 HIS A 58 4.427 -1.060 -8.511 1.00 27.78 H new ATOM 0 HD1 HIS A 58 6.305 2.032 -8.344 1.00 38.84 H new ATOM 0 HD2 HIS A 58 2.266 1.012 -8.769 1.00 29.13 H new ATOM 0 HE1 HIS A 58 5.138 4.087 -9.267 1.00 32.16 H new ATOM 606 N PHE A 59 2.542 -2.141 -5.751 1.00 24.93 N ATOM 607 CA PHE A 59 1.929 -3.448 -5.595 1.00 24.00 C ATOM 608 C PHE A 59 1.103 -3.746 -6.835 1.00 24.90 C ATOM 609 O PHE A 59 0.031 -3.163 -7.027 1.00 22.76 O ATOM 610 CB PHE A 59 1.049 -3.474 -4.342 1.00 22.07 C ATOM 611 CG PHE A 59 0.896 -4.836 -3.727 1.00 22.53 C ATOM 612 CD1 PHE A 59 1.994 -5.503 -3.208 1.00 23.94 C ATOM 613 CD2 PHE A 59 -0.347 -5.444 -3.660 1.00 23.49 C ATOM 614 CE1 PHE A 59 1.856 -6.753 -2.634 1.00 24.34 C ATOM 615 CE2 PHE A 59 -0.491 -6.694 -3.087 1.00 25.32 C ATOM 616 CZ PHE A 59 0.612 -7.348 -2.574 1.00 23.59 C ATOM 0 H PHE A 59 1.986 -1.370 -5.381 1.00 24.93 H new ATOM 0 HA PHE A 59 2.700 -4.209 -5.478 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.473 -2.798 -3.600 1.00 22.07 H new ATOM 0 HB3 PHE A 59 0.061 -3.089 -4.597 1.00 22.07 H new ATOM 0 HD1 PHE A 59 2.969 -5.041 -3.252 1.00 23.94 H new ATOM 0 HD2 PHE A 59 -1.212 -4.936 -4.059 1.00 23.49 H new ATOM 0 HE1 PHE A 59 2.720 -7.263 -2.233 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -1.465 -7.158 -3.041 1.00 25.32 H new ATOM 0 HZ PHE A 59 0.501 -8.324 -2.126 1.00 23.59 H new ATOM 626 N CYS A 60 1.610 -4.628 -7.680 1.00 24.92 N ATOM 627 CA CYS A 60 0.924 -4.953 -8.919 1.00 24.28 C ATOM 628 C CYS A 60 0.601 -6.440 -9.030 1.00 22.52 C ATOM 629 O CYS A 60 1.373 -7.297 -8.591 1.00 22.77 O ATOM 630 CB CYS A 60 1.780 -4.520 -10.112 1.00 25.29 C ATOM 631 SG CYS A 60 2.791 -3.053 -9.801 1.00 29.25 S ATOM 0 H CYS A 60 2.487 -5.128 -7.533 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.022 -4.412 -8.920 1.00 24.28 H new ATOM 0 HB2 CYS A 60 2.433 -5.345 -10.395 1.00 25.29 H new ATOM 0 HB3 CYS A 60 1.127 -4.324 -10.962 1.00 25.29 H new ATOM 0 HG CYS A 60 2.272 -2.031 -10.414 1.00 29.25 H new ATOM 637 N TRP A 61 -0.557 -6.724 -9.611 1.00 21.73 N ATOM 638 CA TRP A 61 -1.008 -8.089 -9.832 1.00 24.21 C ATOM 639 C TRP A 61 -0.961 -8.376 -11.325 1.00 23.19 C ATOM 640 O TRP A 61 -1.693 -7.759 -12.109 1.00 23.71 O ATOM 641 CB TRP A 61 -2.430 -8.286 -9.296 1.00 23.71 C ATOM 642 CG TRP A 61 -2.863 -9.721 -9.266 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.602 -10.633 -8.287 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.636 -10.407 -10.258 1.00 21.21 C ATOM 645 NE1 TRP A 61 -3.161 -11.847 -8.609 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.803 -11.732 -9.814 1.00 21.69 C ATOM 647 CE3 TRP A 61 -4.205 -10.027 -11.477 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.513 -12.679 -10.550 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.907 -10.969 -12.205 1.00 22.81 C ATOM 650 CH2 TRP A 61 -5.058 -12.280 -11.740 1.00 22.79 C ATOM 0 H TRP A 61 -1.209 -6.013 -9.942 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.355 -8.780 -9.298 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.490 -7.875 -8.288 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.125 -7.718 -9.914 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -2.038 -10.431 -7.389 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -3.107 -12.694 -8.044 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -4.098 -9.017 -11.843 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.629 -13.692 -10.194 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -5.347 -10.688 -13.150 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -5.616 -12.991 -12.332 1.00 22.79 H new ATOM 661 N LYS A 62 -0.104 -9.299 -11.718 1.00 23.00 N ATOM 662 CA LYS A 62 0.061 -9.633 -13.122 1.00 25.78 C ATOM 663 C LYS A 62 -0.536 -10.996 -13.454 1.00 27.19 C ATOM 664 O LYS A 62 -0.286 -11.982 -12.761 1.00 24.10 O ATOM 665 CB LYS A 62 1.552 -9.615 -13.471 1.00 30.99 C ATOM 666 CG LYS A 62 1.847 -9.683 -14.959 1.00 37.82 C ATOM 667 CD LYS A 62 3.346 -9.683 -15.221 1.00 35.10 C ATOM 668 CE LYS A 62 3.659 -9.452 -16.688 1.00 48.03 C ATOM 669 NZ LYS A 62 5.118 -9.330 -16.941 1.00 48.74 N ATOM 0 H LYS A 62 0.491 -9.833 -11.084 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.472 -8.890 -13.715 1.00 25.78 H new ATOM 0 HB2 LYS A 62 1.997 -8.706 -13.066 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.039 -10.456 -12.977 1.00 30.99 H new ATOM 0 HG2 LYS A 62 1.401 -10.584 -15.380 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.387 -8.833 -15.463 1.00 37.82 H new ATOM 0 HD2 LYS A 62 3.820 -8.906 -14.621 1.00 35.10 H new ATOM 0 HD3 LYS A 62 3.771 -10.635 -14.904 1.00 35.10 H new ATOM 0 HE2 LYS A 62 3.258 -10.277 -17.277 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.157 -8.546 -17.026 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.282 -9.173 -17.956 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 5.498 -8.527 -16.401 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 5.596 -10.204 -16.644 1.00 48.74 H new ATOM 683 N ASP A 63 -1.337 -11.038 -14.513 1.00 25.78 N ATOM 684 CA ASP A 63 -1.943 -12.285 -14.969 1.00 25.28 C ATOM 685 C ASP A 63 -0.855 -13.125 -15.630 1.00 27.61 C ATOM 686 O ASP A 63 -0.172 -12.646 -16.527 1.00 28.08 O ATOM 687 CB ASP A 63 -3.077 -11.989 -15.963 1.00 27.58 C ATOM 688 CG ASP A 63 -3.931 -13.203 -16.300 1.00 32.53 C ATOM 689 OD1 ASP A 63 -3.397 -14.329 -16.354 1.00 43.65 O ATOM 690 OD2 ASP A 63 -5.147 -13.029 -16.536 1.00 44.29 O ATOM 0 H ASP A 63 -1.582 -10.222 -15.073 1.00 25.78 H new ATOM 0 HA ASP A 63 -2.371 -12.829 -14.127 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -3.717 -11.210 -15.548 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -2.647 -11.592 -16.883 1.00 27.58 H new ATOM 695 N ARG A 64 -0.686 -14.363 -15.193 1.00 25.21 N ATOM 696 CA ARG A 64 0.358 -15.223 -15.748 1.00 26.58 C ATOM 697 C ARG A 64 -0.062 -15.852 -17.074 1.00 32.09 C ATOM 698 O ARG A 64 0.742 -16.502 -17.747 1.00 35.96 O ATOM 699 CB ARG A 64 0.736 -16.308 -14.742 1.00 26.02 C ATOM 700 CG ARG A 64 1.603 -15.793 -13.604 1.00 23.07 C ATOM 701 CD ARG A 64 1.568 -16.731 -12.411 1.00 26.59 C ATOM 702 NE ARG A 64 2.063 -18.068 -12.737 1.00 24.42 N ATOM 703 CZ ARG A 64 1.606 -19.186 -12.173 1.00 28.00 C ATOM 704 NH1 ARG A 64 0.643 -19.129 -11.259 1.00 26.89 N ATOM 705 NH2 ARG A 64 2.115 -20.362 -12.514 1.00 28.46 N ATOM 0 H ARG A 64 -1.251 -14.796 -14.462 1.00 25.21 H new ATOM 0 HA ARG A 64 1.228 -14.597 -15.947 1.00 26.58 H new ATOM 0 HB2 ARG A 64 -0.173 -16.744 -14.329 1.00 26.02 H new ATOM 0 HB3 ARG A 64 1.266 -17.107 -15.261 1.00 26.02 H new ATOM 0 HG2 ARG A 64 2.631 -15.680 -13.950 1.00 23.07 H new ATOM 0 HG3 ARG A 64 1.259 -14.804 -13.301 1.00 23.07 H new ATOM 0 HD2 ARG A 64 2.169 -16.311 -11.604 1.00 26.59 H new ATOM 0 HD3 ARG A 64 0.545 -16.806 -12.041 1.00 26.59 H new ATOM 0 HE ARG A 64 2.801 -18.150 -13.437 1.00 24.42 H new ATOM 0 HH11 ARG A 64 0.251 -18.228 -10.987 1.00 26.89 H new ATOM 0 HH12 ARG A 64 0.296 -19.987 -10.830 1.00 26.89 H new ATOM 0 HH21 ARG A 64 2.859 -20.413 -13.210 1.00 28.46 H new ATOM 0 HH22 ARG A 64 1.763 -21.215 -12.080 1.00 28.46 H new ATOM 719 N THR A 65 -1.314 -15.655 -17.452 1.00 33.44 N ATOM 720 CA THR A 65 -1.821 -16.201 -18.698 1.00 36.88 C ATOM 721 C THR A 65 -1.589 -15.221 -19.845 1.00 39.61 C ATOM 722 O THR A 65 -1.006 -15.573 -20.874 1.00 43.46 O ATOM 723 CB THR A 65 -3.322 -16.517 -18.586 1.00 37.93 C ATOM 724 OG1 THR A 65 -3.658 -16.772 -17.215 1.00 37.86 O ATOM 725 CG2 THR A 65 -3.689 -17.720 -19.445 1.00 41.05 C ATOM 0 H THR A 65 -1.997 -15.121 -16.914 1.00 33.44 H new ATOM 0 HA THR A 65 -1.281 -17.125 -18.902 1.00 36.88 H new ATOM 0 HB THR A 65 -3.887 -15.657 -18.946 1.00 37.93 H new ATOM 0 HG1 THR A 65 -3.954 -15.940 -16.791 1.00 37.86 H new ATOM 0 HG21 THR A 65 -4.755 -17.924 -19.349 1.00 41.05 H new ATOM 0 HG22 THR A 65 -3.452 -17.508 -20.488 1.00 41.05 H new ATOM 0 HG23 THR A 65 -3.122 -18.590 -19.114 1.00 41.05 H new ATOM 733 N SER A 66 -2.033 -13.985 -19.659 1.00 37.37 N ATOM 734 CA SER A 66 -1.878 -12.958 -20.679 1.00 38.86 C ATOM 735 C SER A 66 -0.597 -12.158 -20.469 1.00 40.19 C ATOM 736 O SER A 66 -0.016 -11.633 -21.419 1.00 43.03 O ATOM 737 CB SER A 66 -3.083 -12.025 -20.655 1.00 38.83 C ATOM 738 OG SER A 66 -3.513 -11.796 -19.323 1.00 38.28 O ATOM 0 H SER A 66 -2.503 -13.670 -18.811 1.00 37.37 H new ATOM 0 HA SER A 66 -1.813 -13.448 -21.650 1.00 38.86 H new ATOM 0 HB2 SER A 66 -2.825 -11.077 -21.127 1.00 38.83 H new ATOM 0 HB3 SER A 66 -3.897 -12.459 -21.236 1.00 38.83 H new ATOM 0 HG SER A 66 -4.286 -11.194 -19.328 1.00 38.28 H new ATOM 744 N GLY A 67 -0.157 -12.073 -19.223 1.00 37.65 N ATOM 745 CA GLY A 67 1.040 -11.323 -18.912 1.00 35.24 C ATOM 746 C GLY A 67 0.753 -9.845 -18.771 1.00 32.90 C ATOM 747 O GLY A 67 1.652 -9.015 -18.885 1.00 38.76 O ATOM 0 H GLY A 67 -0.609 -12.511 -18.421 1.00 37.65 H new ATOM 0 HA2 GLY A 67 1.475 -11.699 -17.986 1.00 35.24 H new ATOM 0 HA3 GLY A 67 1.780 -11.477 -19.697 1.00 35.24 H new ATOM 751 N THR A 68 -0.505 -9.515 -18.527 1.00 35.01 N ATOM 752 CA THR A 68 -0.916 -8.129 -18.380 1.00 34.10 C ATOM 753 C THR A 68 -1.096 -7.765 -16.910 1.00 32.67 C ATOM 754 O THR A 68 -1.509 -8.598 -16.099 1.00 29.63 O ATOM 755 CB THR A 68 -2.237 -7.875 -19.130 1.00 41.04 C ATOM 756 OG1 THR A 68 -2.285 -8.687 -20.313 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.375 -6.409 -19.515 1.00 41.80 C ATOM 0 H THR A 68 -1.262 -10.192 -18.426 1.00 35.01 H new ATOM 0 HA THR A 68 -0.130 -7.505 -18.806 1.00 34.10 H new ATOM 0 HB THR A 68 -3.062 -8.137 -18.467 1.00 41.04 H new ATOM 0 HG1 THR A 68 -3.127 -8.525 -20.787 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.317 -6.259 -20.043 1.00 41.80 H new ATOM 0 HG22 THR A 68 -2.361 -5.794 -18.615 1.00 41.80 H new ATOM 0 HG23 THR A 68 -1.546 -6.123 -20.163 1.00 41.80 H new ATOM 765 N VAL A 69 -0.766 -6.527 -16.570 1.00 33.44 N ATOM 766 CA VAL A 69 -0.913 -6.045 -15.205 1.00 31.48 C ATOM 767 C VAL A 69 -2.308 -5.461 -15.026 1.00 34.28 C ATOM 768 O VAL A 69 -2.670 -4.480 -15.680 1.00 37.70 O ATOM 769 CB VAL A 69 0.146 -4.976 -14.853 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.017 -4.546 -13.399 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.547 -5.496 -15.134 1.00 34.92 C ATOM 0 H VAL A 69 -0.394 -5.837 -17.223 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.766 -6.890 -14.532 1.00 31.48 H new ATOM 0 HB VAL A 69 -0.030 -4.104 -15.483 1.00 33.02 H new ATOM 0 HG11 VAL A 69 0.772 -3.793 -13.174 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.975 -4.127 -13.230 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.161 -5.410 -12.750 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.278 -4.728 -14.880 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.732 -6.386 -14.533 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.637 -5.746 -16.191 1.00 34.92 H new ATOM 781 N GLU A 70 -3.095 -6.073 -14.157 1.00 27.61 N ATOM 782 CA GLU A 70 -4.453 -5.614 -13.918 1.00 28.48 C ATOM 783 C GLU A 70 -4.502 -4.604 -12.782 1.00 35.57 C ATOM 784 O GLU A 70 -4.983 -3.484 -12.951 1.00 36.58 O ATOM 785 CB GLU A 70 -5.362 -6.798 -13.603 1.00 34.68 C ATOM 786 CG GLU A 70 -5.279 -7.911 -14.631 1.00 39.08 C ATOM 787 CD GLU A 70 -6.585 -8.656 -14.784 1.00 33.19 C ATOM 788 OE1 GLU A 70 -7.368 -8.706 -13.811 1.00 39.04 O ATOM 789 OE2 GLU A 70 -6.834 -9.206 -15.878 1.00 44.88 O ATOM 0 H GLU A 70 -2.818 -6.886 -13.607 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.805 -5.122 -14.825 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -5.099 -7.198 -12.624 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.392 -6.449 -13.539 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -4.989 -7.491 -15.594 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.496 -8.612 -14.341 1.00 39.08 H new ATOM 796 N ASP A 71 -4.006 -5.001 -11.628 1.00 27.90 N ATOM 797 CA ASP A 71 -4.006 -4.127 -10.467 1.00 27.06 C ATOM 798 C ASP A 71 -2.626 -3.538 -10.244 1.00 26.23 C ATOM 799 O ASP A 71 -1.627 -4.254 -10.262 1.00 25.29 O ATOM 800 CB ASP A 71 -4.472 -4.886 -9.224 1.00 27.28 C ATOM 801 CG ASP A 71 -5.928 -5.299 -9.320 1.00 36.49 C ATOM 802 OD1 ASP A 71 -6.213 -6.339 -9.947 1.00 33.15 O ATOM 803 OD2 ASP A 71 -6.798 -4.569 -8.794 1.00 44.65 O ATOM 0 H ASP A 71 -3.598 -5.922 -11.466 1.00 27.90 H new ATOM 0 HA ASP A 71 -4.703 -3.310 -10.652 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.852 -5.772 -9.088 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.331 -4.260 -8.343 1.00 27.28 H new ATOM 808 N ASP A 72 -2.581 -2.228 -10.063 1.00 28.12 N ATOM 809 CA ASP A 72 -1.332 -1.516 -9.830 1.00 27.09 C ATOM 810 C ASP A 72 -1.610 -0.281 -8.989 1.00 28.96 C ATOM 811 O ASP A 72 -2.234 0.675 -9.458 1.00 30.68 O ATOM 812 CB ASP A 72 -0.681 -1.126 -11.162 1.00 32.18 C ATOM 813 CG ASP A 72 0.450 -0.128 -11.000 1.00 37.86 C ATOM 814 OD1 ASP A 72 1.475 -0.478 -10.382 1.00 34.36 O ATOM 815 OD2 ASP A 72 0.321 1.007 -11.511 1.00 46.72 O ATOM 0 H ASP A 72 -3.406 -1.628 -10.073 1.00 28.12 H new ATOM 0 HA ASP A 72 -0.640 -2.166 -9.295 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -0.299 -2.023 -11.650 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -1.440 -0.703 -11.821 1.00 32.18 H new ATOM 820 N LEU A 73 -1.171 -0.308 -7.741 1.00 27.72 N ATOM 821 CA LEU A 73 -1.402 0.808 -6.832 1.00 25.71 C ATOM 822 C LEU A 73 -0.094 1.416 -6.341 1.00 28.61 C ATOM 823 O LEU A 73 0.963 0.780 -6.389 1.00 28.34 O ATOM 824 CB LEU A 73 -2.242 0.349 -5.638 1.00 28.50 C ATOM 825 CG LEU A 73 -3.726 0.128 -5.934 1.00 38.00 C ATOM 826 CD1 LEU A 73 -4.367 -0.709 -4.838 1.00 46.75 C ATOM 827 CD2 LEU A 73 -4.446 1.461 -6.074 1.00 41.56 C ATOM 0 H LEU A 73 -0.654 -1.087 -7.333 1.00 27.72 H new ATOM 0 HA LEU A 73 -1.942 1.577 -7.385 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -1.822 -0.581 -5.254 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -2.153 1.091 -4.844 1.00 28.50 H new ATOM 0 HG LEU A 73 -3.813 -0.411 -6.877 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -5.423 -0.857 -5.064 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -3.869 -1.677 -4.781 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -4.269 -0.194 -3.882 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -5.501 1.284 -6.284 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -4.351 2.025 -5.146 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -4.003 2.030 -6.892 1.00 41.56 H new ATOM 839 N ILE A 74 -0.181 2.649 -5.858 1.00 26.56 N ATOM 840 CA ILE A 74 0.976 3.360 -5.342 1.00 26.14 C ATOM 841 C ILE A 74 0.971 3.280 -3.822 1.00 27.51 C ATOM 842 O ILE A 74 0.386 4.124 -3.144 1.00 28.90 O ATOM 843 CB ILE A 74 0.983 4.840 -5.778 1.00 28.52 C ATOM 844 CG1 ILE A 74 0.740 4.956 -7.286 1.00 30.04 C ATOM 845 CG2 ILE A 74 2.301 5.496 -5.397 1.00 31.95 C ATOM 846 CD1 ILE A 74 0.548 6.381 -7.762 1.00 35.26 C ATOM 0 H ILE A 74 -1.051 3.179 -5.814 1.00 26.56 H new ATOM 0 HA ILE A 74 1.872 2.890 -5.748 1.00 26.14 H new ATOM 0 HB ILE A 74 0.176 5.359 -5.260 1.00 28.52 H new ATOM 0 HG12 ILE A 74 1.584 4.515 -7.816 1.00 30.04 H new ATOM 0 HG13 ILE A 74 -0.142 4.372 -7.549 1.00 30.04 H new ATOM 0 HG21 ILE A 74 2.292 6.540 -5.711 1.00 31.95 H new ATOM 0 HG22 ILE A 74 2.435 5.443 -4.317 1.00 31.95 H new ATOM 0 HG23 ILE A 74 3.122 4.976 -5.890 1.00 31.95 H new ATOM 0 HD11 ILE A 74 0.381 6.385 -8.839 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -0.314 6.819 -7.259 1.00 35.26 H new ATOM 0 HD13 ILE A 74 1.439 6.965 -7.531 1.00 35.26 H new ATOM 858 N ILE A 75 1.610 2.250 -3.299 1.00 25.23 N ATOM 859 CA ILE A 75 1.656 2.025 -1.866 1.00 23.84 C ATOM 860 C ILE A 75 2.747 2.855 -1.204 1.00 27.62 C ATOM 861 O ILE A 75 3.921 2.783 -1.576 1.00 28.33 O ATOM 862 CB ILE A 75 1.891 0.536 -1.535 1.00 26.16 C ATOM 863 CG1 ILE A 75 0.937 -0.361 -2.334 1.00 34.34 C ATOM 864 CG2 ILE A 75 1.730 0.292 -0.041 1.00 27.19 C ATOM 865 CD1 ILE A 75 -0.529 -0.054 -2.113 1.00 41.17 C ATOM 0 H ILE A 75 2.108 1.551 -3.850 1.00 25.23 H new ATOM 0 HA ILE A 75 0.686 2.331 -1.474 1.00 23.84 H new ATOM 0 HB ILE A 75 2.912 0.281 -1.820 1.00 26.16 H new ATOM 0 HG12 ILE A 75 1.163 -0.259 -3.395 1.00 34.34 H new ATOM 0 HG13 ILE A 75 1.124 -1.401 -2.067 1.00 34.34 H new ATOM 0 HG21 ILE A 75 1.899 -0.763 0.176 1.00 27.19 H new ATOM 0 HG22 ILE A 75 2.454 0.895 0.506 1.00 27.19 H new ATOM 0 HG23 ILE A 75 0.721 0.568 0.266 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -1.137 -0.731 -2.713 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -0.773 -0.185 -1.059 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -0.734 0.975 -2.408 1.00 41.17 H new ATOM 877 N PHE A 76 2.347 3.652 -0.230 1.00 27.22 N ATOM 878 CA PHE A 76 3.274 4.480 0.511 1.00 29.75 C ATOM 879 C PHE A 76 3.700 3.756 1.781 1.00 28.37 C ATOM 880 O PHE A 76 3.023 2.824 2.219 1.00 30.39 O ATOM 881 CB PHE A 76 2.625 5.820 0.859 1.00 28.99 C ATOM 882 CG PHE A 76 2.794 6.869 -0.204 1.00 26.06 C ATOM 883 CD1 PHE A 76 2.181 6.736 -1.439 1.00 29.04 C ATOM 884 CD2 PHE A 76 3.562 7.996 0.040 1.00 26.47 C ATOM 885 CE1 PHE A 76 2.333 7.706 -2.411 1.00 30.38 C ATOM 886 CE2 PHE A 76 3.717 8.970 -0.928 1.00 27.65 C ATOM 887 CZ PHE A 76 3.102 8.825 -2.155 1.00 29.98 C ATOM 0 H PHE A 76 1.375 3.742 0.067 1.00 27.22 H new ATOM 0 HA PHE A 76 4.153 4.672 -0.104 1.00 29.75 H new ATOM 0 HB2 PHE A 76 1.561 5.663 1.036 1.00 28.99 H new ATOM 0 HB3 PHE A 76 3.052 6.189 1.792 1.00 28.99 H new ATOM 0 HD1 PHE A 76 1.577 5.864 -1.644 1.00 29.04 H new ATOM 0 HD2 PHE A 76 4.045 8.115 0.998 1.00 26.47 H new ATOM 0 HE1 PHE A 76 1.851 7.590 -3.370 1.00 30.38 H new ATOM 0 HE2 PHE A 76 4.319 9.844 -0.725 1.00 27.65 H new ATOM 0 HZ PHE A 76 3.222 9.585 -2.913 1.00 29.98 H new ATOM 897 N PRO A 77 4.836 4.149 2.376 1.00 29.47 N ATOM 898 CA PRO A 77 5.331 3.526 3.605 1.00 29.23 C ATOM 899 C PRO A 77 4.282 3.513 4.718 1.00 36.32 C ATOM 900 O PRO A 77 3.706 4.553 5.061 1.00 38.20 O ATOM 901 CB PRO A 77 6.517 4.406 4.002 1.00 29.39 C ATOM 902 CG PRO A 77 6.977 5.023 2.727 1.00 32.72 C ATOM 903 CD PRO A 77 5.740 5.213 1.896 1.00 31.35 C ATOM 0 HA PRO A 77 5.593 2.479 3.449 1.00 29.23 H new ATOM 0 HB2 PRO A 77 6.221 5.166 4.725 1.00 29.39 H new ATOM 0 HB3 PRO A 77 7.309 3.817 4.465 1.00 29.39 H new ATOM 0 HG2 PRO A 77 7.475 5.975 2.910 1.00 32.72 H new ATOM 0 HG3 PRO A 77 7.695 4.380 2.218 1.00 32.72 H new ATOM 0 HD2 PRO A 77 5.307 6.203 2.041 1.00 31.35 H new ATOM 0 HD3 PRO A 77 5.952 5.110 0.832 1.00 31.35 H new ATOM 911 N ASP A 78 4.022 2.317 5.246 1.00 37.07 N ATOM 912 CA ASP A 78 3.066 2.112 6.336 1.00 38.13 C ATOM 913 C ASP A 78 1.632 2.443 5.908 1.00 38.12 C ATOM 914 O ASP A 78 0.848 2.983 6.686 1.00 41.39 O ATOM 915 CB ASP A 78 3.474 2.939 7.565 1.00 44.12 C ATOM 916 CG ASP A 78 2.719 2.542 8.818 1.00 58.24 C ATOM 917 OD1 ASP A 78 2.740 1.348 9.182 1.00 63.10 O ATOM 918 OD2 ASP A 78 2.096 3.424 9.446 1.00 68.01 O ATOM 0 H ASP A 78 4.471 1.458 4.928 1.00 37.07 H new ATOM 0 HA ASP A 78 3.086 1.055 6.601 1.00 38.13 H new ATOM 0 HB2 ASP A 78 4.544 2.820 7.738 1.00 44.12 H new ATOM 0 HB3 ASP A 78 3.299 3.995 7.361 1.00 44.12 H new ATOM 923 N ASP A 79 1.287 2.128 4.666 1.00 32.78 N ATOM 924 CA ASP A 79 -0.071 2.380 4.179 1.00 31.87 C ATOM 925 C ASP A 79 -0.802 1.068 3.918 1.00 31.67 C ATOM 926 O ASP A 79 -1.947 1.058 3.467 1.00 31.28 O ATOM 927 CB ASP A 79 -0.064 3.229 2.902 1.00 30.43 C ATOM 928 CG ASP A 79 -1.438 3.813 2.585 1.00 37.99 C ATOM 929 OD1 ASP A 79 -2.127 4.269 3.528 1.00 39.45 O ATOM 930 OD2 ASP A 79 -1.826 3.826 1.396 1.00 32.65 O ATOM 0 H ASP A 79 1.915 1.704 3.983 1.00 32.78 H new ATOM 0 HA ASP A 79 -0.595 2.935 4.957 1.00 31.87 H new ATOM 0 HB2 ASP A 79 0.656 4.040 3.012 1.00 30.43 H new ATOM 0 HB3 ASP A 79 0.270 2.617 2.064 1.00 30.43 H new ATOM 935 N CYS A 80 -0.145 -0.044 4.214 1.00 31.58 N ATOM 936 CA CYS A 80 -0.747 -1.349 3.994 1.00 30.94 C ATOM 937 C CYS A 80 -0.392 -2.327 5.103 1.00 28.98 C ATOM 938 O CYS A 80 0.766 -2.456 5.497 1.00 31.11 O ATOM 939 CB CYS A 80 -0.313 -1.916 2.643 1.00 31.93 C ATOM 940 SG CYS A 80 -1.126 -1.144 1.231 1.00 37.05 S ATOM 0 H CYS A 80 0.797 -0.069 4.604 1.00 31.58 H new ATOM 0 HA CYS A 80 -1.829 -1.214 3.998 1.00 30.94 H new ATOM 0 HB2 CYS A 80 0.765 -1.796 2.539 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -0.517 -2.987 2.627 1.00 31.93 H new ATOM 0 HG CYS A 80 -2.312 -0.741 1.580 1.00 37.05 H new ATOM 946 N GLU A 81 -1.413 -2.995 5.607 1.00 25.38 N ATOM 947 CA GLU A 81 -1.260 -3.984 6.653 1.00 28.86 C ATOM 948 C GLU A 81 -1.713 -5.340 6.126 1.00 26.91 C ATOM 949 O GLU A 81 -2.909 -5.622 6.043 1.00 29.90 O ATOM 950 CB GLU A 81 -2.074 -3.578 7.883 1.00 32.62 C ATOM 951 CG GLU A 81 -2.056 -4.597 9.010 1.00 41.20 C ATOM 952 CD GLU A 81 -2.659 -4.058 10.290 1.00 46.74 C ATOM 953 OE1 GLU A 81 -3.570 -3.208 10.218 1.00 59.83 O ATOM 954 OE2 GLU A 81 -2.212 -4.477 11.379 1.00 54.12 O ATOM 0 H GLU A 81 -2.377 -2.865 5.299 1.00 25.38 H new ATOM 0 HA GLU A 81 -0.213 -4.050 6.949 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -1.691 -2.630 8.260 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -3.107 -3.407 7.580 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -2.605 -5.486 8.700 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -1.028 -4.907 9.199 1.00 41.20 H new ATOM 961 N PHE A 82 -0.751 -6.158 5.737 1.00 27.17 N ATOM 962 CA PHE A 82 -1.043 -7.479 5.205 1.00 24.89 C ATOM 963 C PHE A 82 -1.371 -8.443 6.342 1.00 26.35 C ATOM 964 O PHE A 82 -0.611 -8.568 7.302 1.00 28.01 O ATOM 965 CB PHE A 82 0.149 -7.990 4.388 1.00 24.82 C ATOM 966 CG PHE A 82 -0.213 -9.025 3.359 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.213 -8.782 2.433 1.00 26.96 C ATOM 968 CD2 PHE A 82 0.459 -10.235 3.310 1.00 25.08 C ATOM 969 CE1 PHE A 82 -1.538 -9.727 1.479 1.00 25.16 C ATOM 970 CE2 PHE A 82 0.137 -11.185 2.361 1.00 24.61 C ATOM 971 CZ PHE A 82 -0.861 -10.932 1.443 1.00 23.81 C ATOM 0 H PHE A 82 0.242 -5.930 5.779 1.00 27.17 H new ATOM 0 HA PHE A 82 -1.911 -7.415 4.548 1.00 24.89 H new ATOM 0 HB2 PHE A 82 0.622 -7.145 3.888 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.888 -8.412 5.069 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -1.745 -7.843 2.457 1.00 26.96 H new ATOM 0 HD2 PHE A 82 1.245 -10.438 4.023 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.320 -9.525 0.762 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.666 -12.126 2.338 1.00 24.61 H new ATOM 0 HZ PHE A 82 -1.113 -11.673 0.699 1.00 23.81 H new ATOM 981 N LYS A 83 -2.518 -9.097 6.235 1.00 25.24 N ATOM 982 CA LYS A 83 -2.963 -10.048 7.243 1.00 27.67 C ATOM 983 C LYS A 83 -3.663 -11.221 6.566 1.00 24.72 C ATOM 984 O LYS A 83 -3.719 -11.287 5.340 1.00 26.15 O ATOM 985 CB LYS A 83 -3.917 -9.359 8.227 1.00 34.55 C ATOM 986 CG LYS A 83 -3.770 -9.831 9.668 1.00 49.96 C ATOM 987 CD LYS A 83 -2.561 -9.206 10.349 1.00 44.98 C ATOM 988 CE LYS A 83 -2.819 -7.759 10.737 1.00 55.29 C ATOM 989 NZ LYS A 83 -1.701 -7.187 11.536 1.00 57.71 N ATOM 0 H LYS A 83 -3.163 -8.985 5.453 1.00 25.24 H new ATOM 0 HA LYS A 83 -2.099 -10.419 7.795 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -3.746 -8.283 8.189 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -4.943 -9.531 7.902 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -4.672 -9.579 10.226 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -3.676 -10.917 9.687 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -2.307 -9.782 11.239 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -1.701 -9.256 9.681 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -2.963 -7.162 9.836 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -3.743 -7.697 11.311 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -1.861 -6.169 11.678 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -1.656 -7.663 12.460 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -0.804 -7.329 11.029 1.00 57.71 H new ATOM 1003 N ARG A 84 -4.202 -12.136 7.357 1.00 26.20 N ATOM 1004 CA ARG A 84 -4.902 -13.296 6.820 1.00 24.84 C ATOM 1005 C ARG A 84 -6.233 -13.478 7.537 1.00 26.43 C ATOM 1006 O ARG A 84 -6.381 -13.070 8.690 1.00 28.19 O ATOM 1007 CB ARG A 84 -4.039 -14.558 6.967 1.00 27.68 C ATOM 1008 CG ARG A 84 -4.703 -15.831 6.446 1.00 30.59 C ATOM 1009 CD ARG A 84 -3.728 -16.997 6.385 1.00 38.05 C ATOM 1010 NE ARG A 84 -3.164 -17.313 7.695 1.00 45.74 N ATOM 1011 CZ ARG A 84 -2.176 -18.188 7.890 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -1.646 -18.847 6.862 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -1.722 -18.407 9.116 1.00 51.71 N ATOM 0 H ARG A 84 -4.169 -12.099 8.376 1.00 26.20 H new ATOM 0 HA ARG A 84 -5.093 -13.131 5.760 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -3.100 -14.407 6.435 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.791 -14.695 8.019 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -5.542 -16.093 7.091 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -5.111 -15.647 5.452 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -4.239 -17.875 5.990 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -2.921 -16.758 5.692 1.00 38.05 H new ATOM 0 HE ARG A 84 -3.549 -16.836 8.510 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -1.995 -18.684 5.917 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -0.891 -19.514 7.019 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -2.128 -17.907 9.907 1.00 51.71 H new ATOM 0 HH22 ARG A 84 -0.967 -19.075 9.268 1.00 51.71 H new ATOM 1027 N VAL A 85 -7.205 -14.061 6.847 1.00 26.80 N ATOM 1028 CA VAL A 85 -8.517 -14.303 7.431 1.00 28.35 C ATOM 1029 C VAL A 85 -8.573 -15.718 8.001 1.00 26.05 C ATOM 1030 O VAL A 85 -8.625 -16.695 7.253 1.00 30.08 O ATOM 1031 CB VAL A 85 -9.650 -14.121 6.396 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -11.013 -14.163 7.073 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -9.476 -12.819 5.627 1.00 26.97 C ATOM 0 H VAL A 85 -7.109 -14.375 5.881 1.00 26.80 H new ATOM 0 HA VAL A 85 -8.666 -13.571 8.225 1.00 28.35 H new ATOM 0 HB VAL A 85 -9.594 -14.947 5.687 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -11.795 -14.033 6.325 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -11.143 -15.124 7.570 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -11.078 -13.362 7.809 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -10.285 -12.712 4.904 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -9.498 -11.980 6.322 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -8.520 -12.831 5.103 1.00 26.97 H new ATOM 1043 N PRO A 86 -8.569 -15.845 9.339 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.595 -17.148 10.014 1.00 33.92 C ATOM 1045 C PRO A 86 -9.967 -17.817 9.976 1.00 37.33 C ATOM 1046 O PRO A 86 -10.144 -18.926 10.482 1.00 42.97 O ATOM 1047 CB PRO A 86 -8.210 -16.801 11.453 1.00 38.12 C ATOM 1048 CG PRO A 86 -8.678 -15.400 11.641 1.00 38.96 C ATOM 1049 CD PRO A 86 -8.538 -14.726 10.302 1.00 35.71 C ATOM 0 HA PRO A 86 -7.929 -17.864 9.532 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -8.686 -17.476 12.164 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -7.134 -16.883 11.606 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -9.713 -15.378 11.981 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -8.083 -14.889 12.398 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -9.350 -14.021 10.122 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -7.607 -14.164 10.232 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.933 -17.145 9.369 1.00 34.50 N ATOM 1058 CA GLN A 87 -12.282 -17.681 9.273 1.00 34.12 C ATOM 1059 C GLN A 87 -12.501 -18.387 7.940 1.00 32.97 C ATOM 1060 O GLN A 87 -13.574 -18.929 7.681 1.00 29.14 O ATOM 1061 CB GLN A 87 -13.317 -16.572 9.463 1.00 35.26 C ATOM 1062 CG GLN A 87 -13.425 -16.083 10.900 1.00 42.92 C ATOM 1063 CD GLN A 87 -13.707 -17.212 11.876 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -14.356 -18.203 11.531 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -13.225 -17.072 13.098 1.00 56.31 N ATOM 0 H GLN A 87 -10.809 -16.230 8.936 1.00 34.50 H new ATOM 0 HA GLN A 87 -12.406 -18.415 10.069 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -13.059 -15.731 8.820 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -14.292 -16.935 9.137 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -12.497 -15.586 11.182 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -14.219 -15.340 10.969 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -12.693 -16.237 13.344 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -13.385 -17.799 13.796 1.00 56.31 H new ATOM 1074 N CYS A 88 -11.480 -18.384 7.099 1.00 30.59 N ATOM 1075 CA CYS A 88 -11.567 -19.038 5.804 1.00 30.96 C ATOM 1076 C CYS A 88 -11.128 -20.496 5.915 1.00 32.25 C ATOM 1077 O CYS A 88 -10.006 -20.778 6.343 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.708 -18.302 4.777 1.00 32.19 C ATOM 1079 SG CYS A 88 -11.305 -16.644 4.384 1.00 39.96 S ATOM 0 H CYS A 88 -10.583 -17.937 7.289 1.00 30.59 H new ATOM 0 HA CYS A 88 -12.605 -19.011 5.471 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.688 -18.231 5.154 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.669 -18.891 3.861 1.00 32.19 H new ATOM 0 HG CYS A 88 -11.373 -16.502 3.094 1.00 39.96 H new ATOM 1085 N PRO A 89 -12.019 -21.437 5.552 1.00 33.30 N ATOM 1086 CA PRO A 89 -11.740 -22.883 5.603 1.00 32.59 C ATOM 1087 C PRO A 89 -10.444 -23.274 4.891 1.00 34.13 C ATOM 1088 O PRO A 89 -9.744 -24.190 5.327 1.00 38.31 O ATOM 1089 CB PRO A 89 -12.946 -23.499 4.893 1.00 37.71 C ATOM 1090 CG PRO A 89 -14.046 -22.517 5.096 1.00 38.21 C ATOM 1091 CD PRO A 89 -13.396 -21.163 5.092 1.00 32.90 C ATOM 0 HA PRO A 89 -11.601 -23.226 6.628 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -12.745 -23.655 3.833 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -13.200 -24.471 5.315 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -14.790 -22.595 4.304 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -14.563 -22.699 6.038 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -13.405 -20.717 4.098 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.910 -20.469 5.757 1.00 32.90 H new ATOM 1099 N SER A 90 -10.126 -22.582 3.801 1.00 34.04 N ATOM 1100 CA SER A 90 -8.913 -22.868 3.047 1.00 33.45 C ATOM 1101 C SER A 90 -7.675 -22.509 3.864 1.00 29.83 C ATOM 1102 O SER A 90 -6.724 -23.287 3.950 1.00 32.46 O ATOM 1103 CB SER A 90 -8.910 -22.094 1.726 1.00 33.88 C ATOM 1104 OG SER A 90 -9.046 -20.698 1.954 1.00 33.97 O ATOM 0 H SER A 90 -10.691 -21.822 3.422 1.00 34.04 H new ATOM 0 HA SER A 90 -8.891 -23.936 2.830 1.00 33.45 H new ATOM 0 HB2 SER A 90 -7.983 -22.290 1.188 1.00 33.88 H new ATOM 0 HB3 SER A 90 -9.726 -22.444 1.093 1.00 33.88 H new ATOM 0 HG SER A 90 -9.757 -20.341 1.382 1.00 33.97 H new ATOM 1110 N GLY A 91 -7.704 -21.325 4.467 1.00 27.54 N ATOM 1111 CA GLY A 91 -6.588 -20.866 5.270 1.00 29.96 C ATOM 1112 C GLY A 91 -5.511 -20.212 4.430 1.00 31.42 C ATOM 1113 O GLY A 91 -4.445 -19.869 4.934 1.00 34.09 O ATOM 0 H GLY A 91 -8.486 -20.672 4.413 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.946 -20.156 6.015 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -6.161 -21.710 5.812 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.793 -20.030 3.143 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.832 -19.418 2.232 1.00 24.26 C ATOM 1119 C ARG A 92 -5.309 -18.042 1.794 1.00 23.50 C ATOM 1120 O ARG A 92 -4.665 -17.385 0.974 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.617 -20.291 0.992 1.00 28.75 C ATOM 1122 CG ARG A 92 -4.492 -21.779 1.284 1.00 30.87 C ATOM 1123 CD ARG A 92 -3.361 -22.081 2.258 1.00 25.34 C ATOM 1124 NE ARG A 92 -2.071 -21.557 1.805 1.00 25.37 N ATOM 1125 CZ ARG A 92 -1.310 -22.127 0.867 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -1.719 -23.221 0.235 1.00 30.43 N ATOM 1127 NH2 ARG A 92 -0.134 -21.598 0.571 1.00 28.83 N ATOM 0 H ARG A 92 -6.677 -20.297 2.709 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.888 -19.322 2.769 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.449 -20.137 0.305 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.715 -19.957 0.479 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -5.432 -22.147 1.696 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -4.320 -22.317 0.352 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -3.601 -21.653 3.231 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -3.283 -23.160 2.395 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.730 -20.697 2.235 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -2.623 -23.635 0.464 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -1.129 -23.648 -0.480 1.00 30.43 H new ATOM 0 HH21 ARG A 92 0.186 -20.761 1.058 1.00 28.83 H new ATOM 0 HH22 ARG A 92 0.453 -22.027 -0.144 1.00 28.83 H new ATOM 1141 N VAL A 93 -6.440 -17.615 2.337 1.00 22.88 N ATOM 1142 CA VAL A 93 -7.006 -16.322 1.988 1.00 22.13 C ATOM 1143 C VAL A 93 -6.390 -15.211 2.828 1.00 21.42 C ATOM 1144 O VAL A 93 -6.645 -15.102 4.030 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.540 -16.299 2.157 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -9.101 -14.927 1.806 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -9.188 -17.377 1.298 1.00 26.59 C ATOM 0 H VAL A 93 -6.982 -18.145 3.020 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.773 -16.153 0.937 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.771 -16.505 3.202 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -10.184 -14.933 1.932 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.664 -14.176 2.464 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.858 -14.688 0.771 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -10.270 -17.346 1.430 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -8.945 -17.202 0.250 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.814 -18.356 1.599 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.571 -14.400 2.186 1.00 22.73 N ATOM 1158 CA TYR A 94 -4.920 -13.284 2.839 1.00 22.99 C ATOM 1159 C TYR A 94 -5.662 -11.998 2.508 1.00 26.07 C ATOM 1160 O TYR A 94 -6.387 -11.933 1.514 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.455 -13.189 2.406 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.531 -14.075 3.209 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.396 -15.425 2.913 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.801 -13.561 4.271 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.557 -16.238 3.654 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -0.961 -14.366 5.016 1.00 23.29 C ATOM 1167 CZ TYR A 94 -0.842 -15.703 4.704 1.00 22.64 C ATOM 1168 OH TYR A 94 -0.011 -16.509 5.449 1.00 28.22 O ATOM 0 H TYR A 94 -5.339 -14.497 1.197 1.00 22.73 H new ATOM 0 HA TYR A 94 -4.942 -13.439 3.918 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -3.378 -13.457 1.352 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -3.124 -12.155 2.497 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -2.955 -15.847 2.091 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -1.891 -12.514 4.520 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -1.463 -17.286 3.411 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.400 -13.949 5.839 1.00 23.29 H new ATOM 0 HH TYR A 94 0.047 -16.162 6.364 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.488 -10.983 3.334 1.00 24.99 N ATOM 1179 CA VAL A 95 -6.162 -9.717 3.124 1.00 23.89 C ATOM 1180 C VAL A 95 -5.209 -8.540 3.317 1.00 23.26 C ATOM 1181 O VAL A 95 -4.521 -8.429 4.335 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.389 -9.574 4.060 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -7.008 -9.818 5.514 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.039 -8.208 3.895 1.00 25.26 C ATOM 0 H VAL A 95 -4.885 -11.011 4.156 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.513 -9.705 2.092 1.00 23.89 H new ATOM 0 HB VAL A 95 -8.115 -10.335 3.774 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -7.891 -9.710 6.144 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -6.607 -10.826 5.621 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -6.254 -9.093 5.819 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -8.898 -8.131 4.562 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -7.317 -7.429 4.141 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.368 -8.084 2.863 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.150 -7.689 2.310 1.00 23.86 N ATOM 1195 CA LEU A 96 -4.324 -6.500 2.348 1.00 23.96 C ATOM 1196 C LEU A 96 -5.170 -5.337 2.842 1.00 23.08 C ATOM 1197 O LEU A 96 -5.949 -4.754 2.084 1.00 24.63 O ATOM 1198 CB LEU A 96 -3.758 -6.200 0.956 1.00 22.80 C ATOM 1199 CG LEU A 96 -2.783 -5.024 0.881 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -1.463 -5.376 1.547 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -2.560 -4.618 -0.569 1.00 30.96 C ATOM 0 H LEU A 96 -5.674 -7.804 1.443 1.00 23.86 H new ATOM 0 HA LEU A 96 -3.484 -6.655 3.025 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.252 -7.093 0.588 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -4.590 -6.004 0.279 1.00 22.80 H new ATOM 0 HG LEU A 96 -3.217 -4.180 1.416 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -0.784 -4.525 1.482 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -1.638 -5.621 2.594 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.018 -6.234 1.043 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -1.864 -3.780 -0.609 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -2.146 -5.460 -1.123 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -3.510 -4.323 -1.014 1.00 30.96 H new ATOM 1213 N LYS A 97 -5.046 -5.038 4.123 1.00 24.23 N ATOM 1214 CA LYS A 97 -5.801 -3.960 4.729 1.00 27.23 C ATOM 1215 C LYS A 97 -5.014 -2.660 4.666 1.00 29.52 C ATOM 1216 O LYS A 97 -3.994 -2.505 5.334 1.00 33.87 O ATOM 1217 CB LYS A 97 -6.133 -4.306 6.180 1.00 30.73 C ATOM 1218 CG LYS A 97 -6.823 -3.181 6.931 1.00 37.27 C ATOM 1219 CD LYS A 97 -6.433 -3.180 8.398 1.00 43.28 C ATOM 1220 CE LYS A 97 -6.478 -1.779 8.977 1.00 47.29 C ATOM 1221 NZ LYS A 97 -5.489 -0.870 8.331 1.00 53.53 N ATOM 0 H LYS A 97 -4.425 -5.531 4.765 1.00 24.23 H new ATOM 0 HA LYS A 97 -6.730 -3.829 4.175 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -6.772 -5.189 6.197 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -5.213 -4.569 6.702 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -6.558 -2.224 6.481 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -7.904 -3.288 6.839 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -7.107 -3.829 8.957 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -5.430 -3.591 8.510 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -7.480 -1.369 8.854 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -6.282 -1.824 10.048 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -5.321 -0.047 8.945 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -4.594 -1.379 8.183 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -5.860 -0.548 7.414 1.00 53.53 H new ATOM 1235 N PHE A 98 -5.492 -1.730 3.860 1.00 28.54 N ATOM 1236 CA PHE A 98 -4.837 -0.439 3.701 1.00 32.00 C ATOM 1237 C PHE A 98 -5.022 0.416 4.948 1.00 41.30 C ATOM 1238 O PHE A 98 -5.959 0.205 5.724 1.00 40.71 O ATOM 1239 CB PHE A 98 -5.401 0.298 2.483 1.00 34.75 C ATOM 1240 CG PHE A 98 -5.034 -0.327 1.166 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -5.621 -1.512 0.753 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -4.104 0.276 0.337 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -5.287 -2.084 -0.458 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -3.767 -0.290 -0.876 1.00 37.59 C ATOM 1245 CZ PHE A 98 -4.359 -1.472 -1.274 1.00 41.72 C ATOM 0 H PHE A 98 -6.337 -1.843 3.301 1.00 28.54 H new ATOM 0 HA PHE A 98 -3.772 -0.616 3.551 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -6.487 0.336 2.565 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -5.044 1.328 2.497 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -6.350 -1.995 1.387 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -3.636 1.200 0.643 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -5.752 -3.009 -0.766 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -3.040 0.192 -1.514 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.096 -1.916 -2.222 1.00 41.72 H new ATOM 1255 N LYS A 99 -4.117 1.361 5.149 1.00 39.61 N ATOM 1256 CA LYS A 99 -4.198 2.257 6.290 1.00 51.59 C ATOM 1257 C LYS A 99 -5.198 3.358 5.980 1.00 53.57 C ATOM 1258 O LYS A 99 -6.164 3.565 6.717 1.00 58.09 O ATOM 1259 CB LYS A 99 -2.830 2.859 6.609 1.00 54.03 C ATOM 1260 CG LYS A 99 -2.699 3.337 8.046 1.00 57.71 C ATOM 1261 CD LYS A 99 -1.545 4.310 8.209 1.00 58.04 C ATOM 1262 CE LYS A 99 -1.140 4.463 9.666 1.00 58.77 C ATOM 1263 NZ LYS A 99 -0.387 3.282 10.160 1.00 59.82 N ATOM 0 H LYS A 99 -3.318 1.527 4.537 1.00 39.61 H new ATOM 0 HA LYS A 99 -4.526 1.695 7.164 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -2.059 2.115 6.410 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -2.645 3.697 5.937 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -3.627 3.817 8.356 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -2.549 2.480 8.703 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -0.691 3.962 7.628 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -1.829 5.282 7.806 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -0.528 5.357 9.780 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -2.031 4.607 10.277 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 -0.174 3.404 11.171 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 -0.961 2.425 10.028 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 0.502 3.189 9.628 1.00 59.82 H new ATOM 1277 N ALA A 100 -4.962 4.055 4.880 1.00 57.45 N ATOM 1278 CA ALA A 100 -5.852 5.115 4.448 1.00 59.65 C ATOM 1279 C ALA A 100 -6.999 4.521 3.647 1.00 62.53 C ATOM 1280 O ALA A 100 -6.803 3.583 2.876 1.00 66.68 O ATOM 1281 CB ALA A 100 -5.100 6.138 3.620 1.00 58.23 C ATOM 0 H ALA A 100 -4.159 3.903 4.270 1.00 57.45 H new ATOM 0 HA ALA A 100 -6.254 5.621 5.326 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -5.785 6.925 3.305 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -4.298 6.572 4.218 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -4.675 5.653 2.741 1.00 58.23 H new ATOM 1287 N GLY A 101 -8.198 5.040 3.856 1.00 63.08 N ATOM 1288 CA GLY A 101 -9.362 4.543 3.144 1.00 61.32 C ATOM 1289 C GLY A 101 -9.891 3.249 3.736 1.00 61.66 C ATOM 1290 O GLY A 101 -11.076 2.939 3.606 1.00 64.05 O ATOM 0 H GLY A 101 -8.389 5.800 4.509 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -10.148 5.298 3.166 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -9.104 4.382 2.097 1.00 61.32 H new ATOM 1294 N SER A 102 -9.002 2.502 4.392 1.00 58.97 N ATOM 1295 CA SER A 102 -9.347 1.231 5.015 1.00 58.40 C ATOM 1296 C SER A 102 -9.813 0.223 3.966 1.00 54.28 C ATOM 1297 O SER A 102 -10.730 -0.560 4.197 1.00 53.70 O ATOM 1298 CB SER A 102 -10.415 1.444 6.089 1.00 61.16 C ATOM 1299 OG SER A 102 -10.081 2.556 6.905 1.00 65.44 O ATOM 0 H SER A 102 -8.023 2.764 4.504 1.00 58.97 H new ATOM 0 HA SER A 102 -8.457 0.822 5.494 1.00 58.40 H new ATOM 0 HB2 SER A 102 -11.385 1.608 5.619 1.00 61.16 H new ATOM 0 HB3 SER A 102 -10.506 0.548 6.703 1.00 61.16 H new ATOM 0 HG SER A 102 -10.774 2.681 7.587 1.00 65.44 H new ATOM 1305 N LYS A 103 -9.171 0.258 2.805 1.00 42.18 N ATOM 1306 CA LYS A 103 -9.498 -0.659 1.721 1.00 39.27 C ATOM 1307 C LYS A 103 -8.975 -2.050 2.059 1.00 32.13 C ATOM 1308 O LYS A 103 -7.931 -2.184 2.696 1.00 30.46 O ATOM 1309 CB LYS A 103 -8.890 -0.157 0.408 1.00 41.30 C ATOM 1310 CG LYS A 103 -9.323 -0.940 -0.823 1.00 45.61 C ATOM 1311 CD LYS A 103 -8.613 -0.438 -2.070 1.00 48.56 C ATOM 1312 CE LYS A 103 -8.989 -1.242 -3.308 1.00 52.94 C ATOM 1313 NZ LYS A 103 -10.284 -0.803 -3.891 1.00 56.96 N ATOM 0 H LYS A 103 -8.419 0.913 2.590 1.00 42.18 H new ATOM 0 HA LYS A 103 -10.580 -0.709 1.599 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -9.162 0.890 0.272 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -7.804 -0.197 0.486 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -9.106 -1.999 -0.679 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -10.401 -0.850 -0.954 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -8.862 0.611 -2.230 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -7.535 -0.490 -1.918 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -8.203 -1.142 -4.057 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -9.049 -2.299 -3.048 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -10.499 -1.378 -4.731 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -11.040 -0.922 -3.187 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -10.220 0.199 -4.164 1.00 56.96 H new ATOM 1327 N ARG A 104 -9.702 -3.080 1.655 1.00 31.79 N ATOM 1328 CA ARG A 104 -9.296 -4.449 1.942 1.00 29.38 C ATOM 1329 C ARG A 104 -9.291 -5.299 0.677 1.00 27.45 C ATOM 1330 O ARG A 104 -10.342 -5.574 0.097 1.00 30.91 O ATOM 1331 CB ARG A 104 -10.229 -5.070 2.985 1.00 29.71 C ATOM 1332 CG ARG A 104 -10.170 -4.383 4.339 1.00 34.22 C ATOM 1333 CD ARG A 104 -11.551 -4.261 4.959 1.00 37.47 C ATOM 1334 NE ARG A 104 -11.523 -3.501 6.208 1.00 40.87 N ATOM 1335 CZ ARG A 104 -12.214 -2.380 6.416 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -13.000 -1.890 5.468 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -12.128 -1.751 7.578 1.00 45.95 N ATOM 0 H ARG A 104 -10.572 -2.996 1.130 1.00 31.79 H new ATOM 0 HA ARG A 104 -8.281 -4.422 2.339 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -11.253 -5.033 2.612 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -9.973 -6.122 3.109 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -9.518 -4.947 5.007 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -9.731 -3.392 4.227 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -12.224 -3.774 4.253 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -11.953 -5.256 5.149 1.00 37.47 H new ATOM 0 HE ARG A 104 -10.938 -3.850 6.967 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -13.079 -2.371 4.572 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -13.526 -1.032 5.634 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -11.532 -2.124 8.317 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -12.658 -0.894 7.734 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.104 -5.693 0.245 1.00 23.75 N ATOM 1352 CA LEU A 105 -7.960 -6.527 -0.938 1.00 24.35 C ATOM 1353 C LEU A 105 -7.640 -7.957 -0.522 1.00 24.13 C ATOM 1354 O LEU A 105 -6.711 -8.191 0.242 1.00 23.73 O ATOM 1355 CB LEU A 105 -6.861 -5.983 -1.856 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.235 -4.739 -2.664 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.029 -4.229 -3.435 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.387 -5.043 -3.610 1.00 35.88 C ATOM 0 H LEU A 105 -7.223 -5.448 0.697 1.00 23.75 H new ATOM 0 HA LEU A 105 -8.900 -6.515 -1.490 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -5.986 -5.751 -1.249 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -6.568 -6.771 -2.550 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.558 -3.960 -1.973 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.310 -3.344 -4.005 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.232 -3.973 -2.737 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -5.679 -5.004 -4.117 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.639 -4.146 -4.176 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.093 -5.836 -4.298 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.255 -5.365 -3.035 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.411 -8.908 -1.017 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.207 -10.306 -0.665 1.00 21.33 C ATOM 1372 C PHE A 106 -7.396 -11.032 -1.734 1.00 21.73 C ATOM 1373 O PHE A 106 -7.607 -10.834 -2.933 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.556 -11.001 -0.465 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.379 -10.416 0.650 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -11.258 -9.373 0.404 1.00 24.62 C ATOM 1377 CD2 PHE A 106 -10.275 -10.907 1.941 1.00 23.36 C ATOM 1378 CE1 PHE A 106 -12.016 -8.832 1.425 1.00 25.44 C ATOM 1379 CE2 PHE A 106 -11.030 -10.369 2.965 1.00 24.37 C ATOM 1380 CZ PHE A 106 -11.902 -9.329 2.707 1.00 26.43 C ATOM 0 H PHE A 106 -9.183 -8.741 -1.663 1.00 21.94 H new ATOM 0 HA PHE A 106 -7.644 -10.341 0.268 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.125 -10.944 -1.393 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.383 -12.058 -0.261 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -11.352 -8.979 -0.597 1.00 24.62 H new ATOM 0 HD2 PHE A 106 -9.596 -11.720 2.149 1.00 23.36 H new ATOM 0 HE1 PHE A 106 -12.698 -8.020 1.219 1.00 25.44 H new ATOM 0 HE2 PHE A 106 -10.939 -10.761 3.967 1.00 24.37 H new ATOM 0 HZ PHE A 106 -12.493 -8.906 3.506 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.462 -11.861 -1.283 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.605 -12.637 -2.172 1.00 20.70 C ATOM 1392 C PHE A 107 -5.450 -14.052 -1.628 1.00 23.14 C ATOM 1393 O PHE A 107 -5.190 -14.232 -0.442 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.213 -11.998 -2.288 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.212 -10.581 -2.789 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.272 -10.312 -4.147 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.139 -9.518 -1.901 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.260 -9.009 -4.611 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.129 -8.215 -2.359 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.190 -7.960 -3.714 1.00 23.57 C ATOM 0 H PHE A 107 -6.277 -12.014 -0.292 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.070 -12.659 -3.158 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -3.734 -12.023 -1.309 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.604 -12.606 -2.957 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -4.329 -11.129 -4.851 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.089 -9.711 -0.840 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -4.305 -8.812 -5.672 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.073 -7.396 -1.657 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.183 -6.941 -4.073 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.613 -15.054 -2.477 1.00 23.10 N ATOM 1411 CA TRP A 108 -5.464 -16.434 -2.036 1.00 21.46 C ATOM 1412 C TRP A 108 -4.183 -17.032 -2.609 1.00 22.39 C ATOM 1413 O TRP A 108 -3.947 -16.980 -3.818 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.696 -17.287 -2.393 1.00 25.96 C ATOM 1415 CG TRP A 108 -7.055 -17.313 -3.853 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.794 -16.390 -4.535 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.715 -18.331 -4.802 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.924 -16.768 -5.851 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -7.269 -17.955 -6.039 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -5.987 -19.521 -4.727 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -7.124 -18.728 -7.188 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -5.844 -20.286 -5.867 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -6.408 -19.886 -7.085 1.00 28.29 C ATOM 0 H TRP A 108 -5.846 -14.942 -3.464 1.00 23.10 H new ATOM 0 HA TRP A 108 -5.390 -16.436 -0.949 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -6.519 -18.310 -2.061 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -7.552 -16.913 -1.831 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -8.215 -15.494 -4.104 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -8.427 -16.248 -6.570 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.544 -19.837 -3.794 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -7.562 -18.423 -8.127 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -5.287 -21.210 -5.819 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -6.274 -20.505 -7.960 1.00 28.29 H new ATOM 1434 N MET A 109 -3.350 -17.568 -1.726 1.00 22.47 N ATOM 1435 CA MET A 109 -2.073 -18.163 -2.117 1.00 22.63 C ATOM 1436 C MET A 109 -2.267 -19.373 -3.027 1.00 23.51 C ATOM 1437 O MET A 109 -3.038 -20.284 -2.715 1.00 25.87 O ATOM 1438 CB MET A 109 -1.274 -18.581 -0.880 1.00 22.83 C ATOM 1439 CG MET A 109 -0.847 -17.418 0.002 1.00 24.26 C ATOM 1440 SD MET A 109 0.421 -16.389 -0.762 1.00 28.54 S ATOM 1441 CE MET A 109 0.711 -15.201 0.547 1.00 27.29 C ATOM 0 H MET A 109 -3.536 -17.604 -0.724 1.00 22.47 H new ATOM 0 HA MET A 109 -1.521 -17.403 -2.670 1.00 22.63 H new ATOM 0 HB2 MET A 109 -1.875 -19.271 -0.288 1.00 22.83 H new ATOM 0 HB3 MET A 109 -0.386 -19.126 -1.201 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.717 -16.803 0.231 1.00 24.26 H new ATOM 0 HG3 MET A 109 -0.472 -17.805 0.949 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.474 -14.490 0.230 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.214 -14.667 0.766 1.00 27.29 H new ATOM 0 HE3 MET A 109 1.050 -15.722 1.443 1.00 27.29 H new ATOM 1451 N GLN A 110 -1.550 -19.378 -4.146 1.00 23.09 N ATOM 1452 CA GLN A 110 -1.623 -20.474 -5.106 1.00 24.00 C ATOM 1453 C GLN A 110 -0.445 -21.419 -4.901 1.00 32.58 C ATOM 1454 O GLN A 110 -0.049 -22.156 -5.808 1.00 41.60 O ATOM 1455 CB GLN A 110 -1.632 -19.935 -6.540 1.00 22.67 C ATOM 1456 CG GLN A 110 -2.761 -18.956 -6.804 1.00 25.04 C ATOM 1457 CD GLN A 110 -2.862 -18.528 -8.256 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -1.876 -18.518 -8.994 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -4.063 -18.158 -8.667 1.00 24.22 N ATOM 0 H GLN A 110 -0.908 -18.631 -4.411 1.00 23.09 H new ATOM 0 HA GLN A 110 -2.551 -21.022 -4.943 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -0.680 -19.445 -6.743 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -1.715 -20.771 -7.235 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -3.704 -19.411 -6.501 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -2.618 -18.072 -6.182 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -4.853 -18.182 -8.022 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -4.200 -17.849 -9.629 1.00 24.22 H new ATOM 1468 N GLU A 111 0.112 -21.378 -3.699 1.00 34.19 N ATOM 1469 CA GLU A 111 1.239 -22.219 -3.334 1.00 41.70 C ATOM 1470 C GLU A 111 0.744 -23.581 -2.849 1.00 40.45 C ATOM 1471 O GLU A 111 -0.103 -23.651 -1.955 1.00 39.75 O ATOM 1472 CB GLU A 111 2.060 -21.542 -2.233 1.00 41.38 C ATOM 1473 CG GLU A 111 2.685 -20.226 -2.661 1.00 49.79 C ATOM 1474 CD GLU A 111 4.139 -20.377 -3.048 1.00 48.44 C ATOM 1475 OE1 GLU A 111 4.422 -20.707 -4.218 1.00 32.00 O ATOM 1476 OE2 GLU A 111 5.012 -20.166 -2.181 1.00 43.83 O ATOM 0 H GLU A 111 -0.205 -20.761 -2.951 1.00 34.19 H new ATOM 0 HA GLU A 111 1.869 -22.364 -4.212 1.00 41.70 H new ATOM 0 HB2 GLU A 111 1.418 -21.366 -1.370 1.00 41.38 H new ATOM 0 HB3 GLU A 111 2.849 -22.221 -1.910 1.00 41.38 H new ATOM 0 HG2 GLU A 111 2.128 -19.820 -3.505 1.00 49.79 H new ATOM 0 HG3 GLU A 111 2.601 -19.506 -1.847 1.00 49.79 H new ATOM 1483 N PRO A 112 1.255 -24.671 -3.443 1.00 48.55 N ATOM 1484 CA PRO A 112 0.865 -26.037 -3.070 1.00 46.93 C ATOM 1485 C PRO A 112 1.065 -26.314 -1.582 1.00 45.48 C ATOM 1486 O PRO A 112 0.216 -26.925 -0.930 1.00 48.59 O ATOM 1487 CB PRO A 112 1.799 -26.919 -3.905 1.00 49.91 C ATOM 1488 CG PRO A 112 2.202 -26.066 -5.057 1.00 50.19 C ATOM 1489 CD PRO A 112 2.244 -24.659 -4.537 1.00 49.44 C ATOM 0 HA PRO A 112 -0.194 -26.219 -3.255 1.00 46.93 H new ATOM 0 HB2 PRO A 112 2.666 -27.236 -3.326 1.00 49.91 H new ATOM 0 HB3 PRO A 112 1.292 -27.824 -4.241 1.00 49.91 H new ATOM 0 HG2 PRO A 112 3.175 -26.368 -5.444 1.00 50.19 H new ATOM 0 HG3 PRO A 112 1.490 -26.157 -5.878 1.00 50.19 H new ATOM 0 HD2 PRO A 112 3.238 -24.393 -4.178 1.00 49.44 H new ATOM 0 HD3 PRO A 112 1.980 -23.937 -5.310 1.00 49.44 H new ATOM 1497 N LYS A 113 2.186 -25.856 -1.045 1.00 45.43 N ATOM 1498 CA LYS A 113 2.489 -26.061 0.359 1.00 45.69 C ATOM 1499 C LYS A 113 2.197 -24.797 1.156 1.00 44.46 C ATOM 1500 O LYS A 113 2.141 -23.697 0.599 1.00 42.11 O ATOM 1501 CB LYS A 113 3.946 -26.484 0.527 1.00 48.90 C ATOM 1502 CG LYS A 113 4.265 -27.807 -0.147 1.00 48.99 C ATOM 1503 CD LYS A 113 5.724 -28.190 0.032 1.00 65.37 C ATOM 1504 CE LYS A 113 6.098 -29.365 -0.851 1.00 71.52 C ATOM 1505 NZ LYS A 113 7.485 -29.835 -0.606 1.00 69.62 N ATOM 0 H LYS A 113 2.899 -25.341 -1.562 1.00 45.43 H new ATOM 0 HA LYS A 113 1.853 -26.859 0.743 1.00 45.69 H new ATOM 0 HB2 LYS A 113 4.593 -25.709 0.116 1.00 48.90 H new ATOM 0 HB3 LYS A 113 4.176 -26.560 1.590 1.00 48.90 H new ATOM 0 HG2 LYS A 113 3.630 -28.589 0.268 1.00 48.99 H new ATOM 0 HG3 LYS A 113 4.034 -27.739 -1.210 1.00 48.99 H new ATOM 0 HD2 LYS A 113 6.358 -27.336 -0.207 1.00 65.37 H new ATOM 0 HD3 LYS A 113 5.910 -28.443 1.076 1.00 65.37 H new ATOM 0 HE2 LYS A 113 5.402 -30.185 -0.674 1.00 71.52 H new ATOM 0 HE3 LYS A 113 5.993 -29.078 -1.897 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 7.695 -30.639 -1.232 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 8.153 -29.062 -0.799 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 7.580 -30.135 0.385 1.00 69.62 H new ATOM 1519 N THR A 114 2.003 -24.962 2.455 1.00 40.64 N ATOM 1520 CA THR A 114 1.702 -23.847 3.338 1.00 36.42 C ATOM 1521 C THR A 114 2.906 -23.504 4.210 1.00 31.64 C ATOM 1522 O THR A 114 2.830 -22.657 5.103 1.00 32.89 O ATOM 1523 CB THR A 114 0.501 -24.187 4.239 1.00 39.21 C ATOM 1524 OG1 THR A 114 0.753 -25.404 4.952 1.00 43.02 O ATOM 1525 CG2 THR A 114 -0.769 -24.344 3.421 1.00 38.60 C ATOM 0 H THR A 114 2.049 -25.866 2.924 1.00 40.64 H new ATOM 0 HA THR A 114 1.458 -22.985 2.717 1.00 36.42 H new ATOM 0 HB THR A 114 0.366 -23.365 4.942 1.00 39.21 H new ATOM 0 HG1 THR A 114 -0.015 -25.613 5.524 1.00 43.02 H new ATOM 0 HG21 THR A 114 -1.601 -24.584 4.083 1.00 38.60 H new ATOM 0 HG22 THR A 114 -0.981 -23.413 2.895 1.00 38.60 H new ATOM 0 HG23 THR A 114 -0.638 -25.148 2.697 1.00 38.60 H new ATOM 1533 N ASP A 115 4.022 -24.158 3.922 1.00 30.92 N ATOM 1534 CA ASP A 115 5.261 -23.965 4.670 1.00 38.80 C ATOM 1535 C ASP A 115 5.804 -22.547 4.514 1.00 35.23 C ATOM 1536 O ASP A 115 6.467 -22.025 5.413 1.00 36.70 O ATOM 1537 CB ASP A 115 6.309 -24.975 4.206 1.00 44.02 C ATOM 1538 CG ASP A 115 6.223 -26.286 4.959 1.00 54.03 C ATOM 1539 OD1 ASP A 115 5.162 -26.945 4.907 1.00 54.30 O ATOM 1540 OD2 ASP A 115 7.221 -26.670 5.601 1.00 66.15 O ATOM 0 H ASP A 115 4.097 -24.837 3.165 1.00 30.92 H new ATOM 0 HA ASP A 115 5.039 -24.121 5.726 1.00 38.80 H new ATOM 0 HB2 ASP A 115 6.181 -25.163 3.140 1.00 44.02 H new ATOM 0 HB3 ASP A 115 7.303 -24.549 4.338 1.00 44.02 H new ATOM 1545 N GLN A 116 5.523 -21.926 3.377 1.00 32.65 N ATOM 1546 CA GLN A 116 5.993 -20.570 3.112 1.00 32.85 C ATOM 1547 C GLN A 116 4.832 -19.576 3.084 1.00 25.51 C ATOM 1548 O GLN A 116 4.982 -18.449 2.610 1.00 27.64 O ATOM 1549 CB GLN A 116 6.749 -20.530 1.781 1.00 36.33 C ATOM 1550 CG GLN A 116 8.160 -19.978 1.890 1.00 43.53 C ATOM 1551 CD GLN A 116 8.939 -20.117 0.596 1.00 46.84 C ATOM 1552 OE1 GLN A 116 8.898 -19.240 -0.264 1.00 54.73 O ATOM 1553 NE2 GLN A 116 9.659 -21.217 0.453 1.00 50.07 N ATOM 0 H GLN A 116 4.973 -22.337 2.623 1.00 32.65 H new ATOM 0 HA GLN A 116 6.665 -20.281 3.920 1.00 32.85 H new ATOM 0 HB2 GLN A 116 6.795 -21.539 1.370 1.00 36.33 H new ATOM 0 HB3 GLN A 116 6.186 -19.923 1.073 1.00 36.33 H new ATOM 0 HG2 GLN A 116 8.114 -18.926 2.172 1.00 43.53 H new ATOM 0 HG3 GLN A 116 8.690 -20.499 2.687 1.00 43.53 H new ATOM 0 HE21 GLN A 116 9.666 -21.921 1.191 1.00 50.07 H new ATOM 0 HE22 GLN A 116 10.207 -21.361 -0.395 1.00 50.07 H new ATOM 1562 N ASP A 117 3.689 -19.991 3.622 1.00 25.38 N ATOM 1563 CA ASP A 117 2.485 -19.152 3.650 1.00 24.59 C ATOM 1564 C ASP A 117 2.734 -17.851 4.406 1.00 23.14 C ATOM 1565 O ASP A 117 2.786 -16.770 3.811 1.00 23.30 O ATOM 1566 CB ASP A 117 1.325 -19.914 4.302 1.00 24.94 C ATOM 1567 CG ASP A 117 0.042 -19.823 3.499 1.00 26.91 C ATOM 1568 OD1 ASP A 117 0.118 -19.593 2.274 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -1.045 -20.020 4.084 1.00 29.31 O ATOM 0 H ASP A 117 3.567 -20.909 4.049 1.00 25.38 H new ATOM 0 HA ASP A 117 2.226 -18.906 2.620 1.00 24.59 H new ATOM 0 HB2 ASP A 117 1.603 -20.962 4.418 1.00 24.94 H new ATOM 0 HB3 ASP A 117 1.152 -19.518 5.303 1.00 24.94 H new ATOM 1574 N GLU A 118 2.929 -17.970 5.716 1.00 27.03 N ATOM 1575 CA GLU A 118 3.171 -16.815 6.570 1.00 26.55 C ATOM 1576 C GLU A 118 4.490 -16.141 6.218 1.00 23.71 C ATOM 1577 O GLU A 118 4.658 -14.937 6.425 1.00 25.11 O ATOM 1578 CB GLU A 118 3.168 -17.238 8.039 1.00 32.75 C ATOM 1579 CG GLU A 118 1.778 -17.304 8.644 1.00 36.67 C ATOM 1580 CD GLU A 118 1.162 -15.933 8.812 1.00 51.49 C ATOM 1581 OE1 GLU A 118 1.574 -15.207 9.740 1.00 61.12 O ATOM 1582 OE2 GLU A 118 0.259 -15.576 8.026 1.00 49.04 O ATOM 0 H GLU A 118 2.924 -18.862 6.211 1.00 27.03 H new ATOM 0 HA GLU A 118 2.369 -16.095 6.405 1.00 26.55 H new ATOM 0 HB2 GLU A 118 3.642 -18.215 8.129 1.00 32.75 H new ATOM 0 HB3 GLU A 118 3.773 -16.536 8.613 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.136 -17.914 8.008 1.00 36.67 H new ATOM 0 HG3 GLU A 118 1.829 -17.799 9.614 1.00 36.67 H new ATOM 1589 N GLU A 119 5.421 -16.925 5.680 1.00 24.14 N ATOM 1590 CA GLU A 119 6.723 -16.411 5.281 1.00 26.98 C ATOM 1591 C GLU A 119 6.553 -15.318 4.232 1.00 25.13 C ATOM 1592 O GLU A 119 7.215 -14.280 4.286 1.00 27.83 O ATOM 1593 CB GLU A 119 7.592 -17.548 4.736 1.00 28.20 C ATOM 1594 CG GLU A 119 9.022 -17.140 4.427 1.00 27.24 C ATOM 1595 CD GLU A 119 9.713 -16.493 5.608 1.00 28.47 C ATOM 1596 OE1 GLU A 119 9.795 -17.125 6.678 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.175 -15.345 5.471 1.00 30.36 O ATOM 0 H GLU A 119 5.294 -17.923 5.511 1.00 24.14 H new ATOM 0 HA GLU A 119 7.219 -15.983 6.152 1.00 26.98 H new ATOM 0 HB2 GLU A 119 7.606 -18.361 5.462 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.133 -17.939 3.828 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.587 -18.019 4.117 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.024 -16.447 3.586 1.00 27.24 H new ATOM 1604 N HIS A 120 5.643 -15.549 3.292 1.00 21.73 N ATOM 1605 CA HIS A 120 5.369 -14.576 2.243 1.00 22.27 C ATOM 1606 C HIS A 120 4.770 -13.315 2.849 1.00 22.52 C ATOM 1607 O HIS A 120 5.158 -12.205 2.497 1.00 24.30 O ATOM 1608 CB HIS A 120 4.405 -15.144 1.199 1.00 22.36 C ATOM 1609 CG HIS A 120 5.006 -16.179 0.294 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.282 -16.092 -0.228 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.492 -17.340 -0.179 1.00 27.13 C ATOM 1612 CE1 HIS A 120 6.521 -17.151 -0.980 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.451 -17.920 -0.966 1.00 30.38 N ATOM 0 H HIS A 120 5.084 -16.400 3.236 1.00 21.73 H new ATOM 0 HA HIS A 120 6.312 -14.338 1.751 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.550 -15.582 1.713 1.00 22.36 H new ATOM 0 HB3 HIS A 120 4.025 -14.324 0.590 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.508 -17.735 0.027 1.00 27.13 H new ATOM 0 HE1 HIS A 120 7.437 -17.352 -1.515 1.00 30.02 H new ATOM 0 HE2 HIS A 120 5.353 -18.806 -1.462 1.00 30.38 H new ATOM 1622 N CYS A 121 3.841 -13.507 3.780 1.00 21.37 N ATOM 1623 CA CYS A 121 3.167 -12.398 4.446 1.00 22.64 C ATOM 1624 C CYS A 121 4.160 -11.494 5.171 1.00 24.68 C ATOM 1625 O CYS A 121 4.176 -10.283 4.952 1.00 24.70 O ATOM 1626 CB CYS A 121 2.128 -12.930 5.439 1.00 26.11 C ATOM 1627 SG CYS A 121 1.223 -11.641 6.335 1.00 28.52 S ATOM 0 H CYS A 121 3.536 -14.429 4.092 1.00 21.37 H new ATOM 0 HA CYS A 121 2.667 -11.806 3.680 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.413 -13.552 4.900 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.630 -13.574 6.161 1.00 26.11 H new ATOM 0 HG CYS A 121 1.916 -10.541 6.331 1.00 28.52 H new ATOM 1633 N ARG A 122 4.991 -12.093 6.019 1.00 25.35 N ATOM 1634 CA ARG A 122 5.981 -11.344 6.790 1.00 25.95 C ATOM 1635 C ARG A 122 6.885 -10.514 5.881 1.00 23.36 C ATOM 1636 O ARG A 122 7.151 -9.343 6.161 1.00 26.33 O ATOM 1637 CB ARG A 122 6.822 -12.293 7.642 1.00 27.25 C ATOM 1638 CG ARG A 122 6.056 -12.917 8.798 1.00 37.10 C ATOM 1639 CD ARG A 122 6.973 -13.727 9.696 1.00 28.22 C ATOM 1640 NE ARG A 122 7.596 -14.848 8.990 1.00 35.74 N ATOM 1641 CZ ARG A 122 7.185 -16.114 9.090 1.00 30.48 C ATOM 1642 NH1 ARG A 122 6.137 -16.421 9.846 1.00 31.71 N ATOM 1643 NH2 ARG A 122 7.820 -17.079 8.438 1.00 40.70 N ATOM 0 H ARG A 122 4.999 -13.098 6.191 1.00 25.35 H new ATOM 0 HA ARG A 122 5.442 -10.660 7.445 1.00 25.95 H new ATOM 0 HB2 ARG A 122 7.214 -13.087 7.006 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.680 -11.749 8.038 1.00 27.25 H new ATOM 0 HG2 ARG A 122 5.572 -12.133 9.381 1.00 37.10 H new ATOM 0 HG3 ARG A 122 5.266 -13.559 8.409 1.00 37.10 H new ATOM 0 HD2 ARG A 122 7.750 -13.077 10.098 1.00 28.22 H new ATOM 0 HD3 ARG A 122 6.404 -14.106 10.545 1.00 28.22 H new ATOM 0 HE ARG A 122 8.393 -14.650 8.385 1.00 35.74 H new ATOM 0 HH11 ARG A 122 5.642 -15.688 10.354 1.00 31.71 H new ATOM 0 HH12 ARG A 122 5.827 -17.390 9.919 1.00 31.71 H new ATOM 0 HH21 ARG A 122 8.627 -16.856 7.856 1.00 40.70 H new ATOM 0 HH22 ARG A 122 7.501 -18.044 8.519 1.00 40.70 H new ATOM 1657 N LYS A 123 7.336 -11.121 4.788 1.00 22.81 N ATOM 1658 CA LYS A 123 8.203 -10.444 3.830 1.00 24.60 C ATOM 1659 C LYS A 123 7.487 -9.258 3.190 1.00 24.94 C ATOM 1660 O LYS A 123 8.079 -8.195 2.996 1.00 25.77 O ATOM 1661 CB LYS A 123 8.670 -11.427 2.754 1.00 27.36 C ATOM 1662 CG LYS A 123 9.890 -12.237 3.161 1.00 28.78 C ATOM 1663 CD LYS A 123 9.961 -13.557 2.410 1.00 35.71 C ATOM 1664 CE LYS A 123 11.359 -14.163 2.461 1.00 44.84 C ATOM 1665 NZ LYS A 123 11.893 -14.250 3.847 1.00 55.57 N ATOM 0 H LYS A 123 7.114 -12.086 4.543 1.00 22.81 H new ATOM 0 HA LYS A 123 9.074 -10.066 4.365 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.853 -12.109 2.517 1.00 27.36 H new ATOM 0 HB3 LYS A 123 8.898 -10.874 1.843 1.00 27.36 H new ATOM 0 HG2 LYS A 123 10.793 -11.658 2.967 1.00 28.78 H new ATOM 0 HG3 LYS A 123 9.859 -12.429 4.233 1.00 28.78 H new ATOM 0 HD2 LYS A 123 9.245 -14.258 2.839 1.00 35.71 H new ATOM 0 HD3 LYS A 123 9.670 -13.400 1.371 1.00 35.71 H new ATOM 0 HE2 LYS A 123 11.335 -15.160 2.021 1.00 44.84 H new ATOM 0 HE3 LYS A 123 12.034 -13.562 1.852 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 12.590 -15.020 3.903 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 12.350 -13.351 4.100 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 11.113 -14.440 4.508 1.00 55.57 H new ATOM 1679 N VAL A 124 6.210 -9.446 2.872 1.00 23.64 N ATOM 1680 CA VAL A 124 5.406 -8.390 2.269 1.00 22.10 C ATOM 1681 C VAL A 124 5.222 -7.238 3.254 1.00 22.85 C ATOM 1682 O VAL A 124 5.417 -6.075 2.903 1.00 24.21 O ATOM 1683 CB VAL A 124 4.023 -8.919 1.819 1.00 22.81 C ATOM 1684 CG1 VAL A 124 3.124 -7.780 1.366 1.00 23.59 C ATOM 1685 CG2 VAL A 124 4.179 -9.940 0.703 1.00 24.46 C ATOM 0 H VAL A 124 5.709 -10.322 3.022 1.00 23.64 H new ATOM 0 HA VAL A 124 5.937 -8.032 1.387 1.00 22.10 H new ATOM 0 HB VAL A 124 3.555 -9.404 2.676 1.00 22.81 H new ATOM 0 HG11 VAL A 124 2.159 -8.180 1.055 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.979 -7.081 2.190 1.00 23.59 H new ATOM 0 HG13 VAL A 124 3.589 -7.261 0.528 1.00 23.59 H new ATOM 0 HG21 VAL A 124 3.196 -10.301 0.400 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.674 -9.474 -0.149 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.779 -10.778 1.058 1.00 24.46 H new ATOM 1695 N ASN A 125 4.874 -7.577 4.494 1.00 23.90 N ATOM 1696 CA ASN A 125 4.665 -6.580 5.547 1.00 25.34 C ATOM 1697 C ASN A 125 5.898 -5.701 5.720 1.00 27.59 C ATOM 1698 O ASN A 125 5.793 -4.479 5.840 1.00 26.42 O ATOM 1699 CB ASN A 125 4.336 -7.259 6.884 1.00 25.30 C ATOM 1700 CG ASN A 125 2.870 -7.629 7.021 1.00 26.31 C ATOM 1701 OD1 ASN A 125 2.456 -8.726 6.647 1.00 30.74 O ATOM 1702 ND2 ASN A 125 2.073 -6.722 7.571 1.00 26.69 N ATOM 0 H ASN A 125 4.730 -8.540 4.797 1.00 23.90 H new ATOM 0 HA ASN A 125 3.824 -5.957 5.244 1.00 25.34 H new ATOM 0 HB2 ASN A 125 4.942 -8.159 6.986 1.00 25.30 H new ATOM 0 HB3 ASN A 125 4.614 -6.593 7.701 1.00 25.30 H new ATOM 0 HD21 ASN A 125 1.081 -6.923 7.696 1.00 26.69 H new ATOM 0 HD22 ASN A 125 2.452 -5.823 7.869 1.00 26.69 H new ATOM 1709 N GLU A 126 7.066 -6.330 5.708 1.00 26.42 N ATOM 1710 CA GLU A 126 8.330 -5.619 5.869 1.00 28.43 C ATOM 1711 C GLU A 126 8.528 -4.576 4.776 1.00 31.22 C ATOM 1712 O GLU A 126 8.990 -3.468 5.041 1.00 33.04 O ATOM 1713 CB GLU A 126 9.496 -6.601 5.840 1.00 30.84 C ATOM 1714 CG GLU A 126 9.575 -7.493 7.064 1.00 32.00 C ATOM 1715 CD GLU A 126 10.639 -8.559 6.935 1.00 38.76 C ATOM 1716 OE1 GLU A 126 11.591 -8.367 6.148 1.00 35.92 O ATOM 1717 OE2 GLU A 126 10.535 -9.593 7.626 1.00 44.64 O ATOM 0 H GLU A 126 7.165 -7.338 5.588 1.00 26.42 H new ATOM 0 HA GLU A 126 8.298 -5.110 6.833 1.00 28.43 H new ATOM 0 HB2 GLU A 126 9.410 -7.226 4.951 1.00 30.84 H new ATOM 0 HB3 GLU A 126 10.427 -6.042 5.748 1.00 30.84 H new ATOM 0 HG2 GLU A 126 9.782 -6.882 7.942 1.00 32.00 H new ATOM 0 HG3 GLU A 126 8.607 -7.968 7.227 1.00 32.00 H new ATOM 1724 N CYS A 127 8.155 -4.925 3.551 1.00 27.47 N ATOM 1725 CA CYS A 127 8.314 -4.025 2.417 1.00 28.50 C ATOM 1726 C CYS A 127 7.211 -2.967 2.381 1.00 30.91 C ATOM 1727 O CYS A 127 7.283 -2.015 1.607 1.00 35.43 O ATOM 1728 CB CYS A 127 8.316 -4.827 1.115 1.00 31.38 C ATOM 1729 SG CYS A 127 9.423 -6.257 1.134 1.00 46.40 S ATOM 0 H CYS A 127 7.740 -5.827 3.318 1.00 27.47 H new ATOM 0 HA CYS A 127 9.267 -3.508 2.528 1.00 28.50 H new ATOM 0 HB2 CYS A 127 7.302 -5.168 0.909 1.00 31.38 H new ATOM 0 HB3 CYS A 127 8.603 -4.169 0.295 1.00 31.38 H new ATOM 0 HG CYS A 127 8.877 -7.219 1.817 1.00 46.40 H new ATOM 1735 N LEU A 128 6.197 -3.130 3.221 1.00 26.38 N ATOM 1736 CA LEU A 128 5.088 -2.186 3.261 1.00 27.69 C ATOM 1737 C LEU A 128 5.252 -1.179 4.394 1.00 35.20 C ATOM 1738 O LEU A 128 5.089 0.025 4.197 1.00 35.19 O ATOM 1739 CB LEU A 128 3.756 -2.926 3.428 1.00 27.68 C ATOM 1740 CG LEU A 128 3.382 -3.873 2.289 1.00 27.47 C ATOM 1741 CD1 LEU A 128 2.101 -4.618 2.626 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.233 -3.109 0.985 1.00 27.78 C ATOM 0 H LEU A 128 6.120 -3.904 3.881 1.00 26.38 H new ATOM 0 HA LEU A 128 5.088 -1.646 2.314 1.00 27.69 H new ATOM 0 HB2 LEU A 128 3.792 -3.498 4.355 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.962 -2.188 3.539 1.00 27.68 H new ATOM 0 HG LEU A 128 4.183 -4.601 2.164 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.845 -5.290 1.807 1.00 27.78 H new ATOM 0 HD12 LEU A 128 2.246 -5.197 3.538 1.00 27.78 H new ATOM 0 HD13 LEU A 128 1.292 -3.902 2.775 1.00 27.78 H new ATOM 0 HD21 LEU A 128 2.967 -3.801 0.186 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.450 -2.358 1.091 1.00 27.78 H new ATOM 0 HD23 LEU A 128 4.175 -2.619 0.741 1.00 27.78 H new ATOM 1754 N ASN A 129 5.567 -1.678 5.579 1.00 31.80 N ATOM 1755 CA ASN A 129 5.723 -0.822 6.748 1.00 41.40 C ATOM 1756 C ASN A 129 7.092 -0.150 6.782 1.00 46.78 C ATOM 1757 O ASN A 129 7.211 1.000 7.206 1.00 58.88 O ATOM 1758 CB ASN A 129 5.489 -1.625 8.032 1.00 39.28 C ATOM 1759 CG ASN A 129 4.071 -2.166 8.127 1.00 45.62 C ATOM 1760 OD1 ASN A 129 3.808 -3.319 7.779 1.00 53.22 O ATOM 1761 ND2 ASN A 129 3.143 -1.338 8.581 1.00 37.18 N ATOM 0 H ASN A 129 5.720 -2.670 5.758 1.00 31.80 H new ATOM 0 HA ASN A 129 4.974 -0.034 6.680 1.00 41.40 H new ATOM 0 HB2 ASN A 129 6.195 -2.455 8.072 1.00 39.28 H new ATOM 0 HB3 ASN A 129 5.692 -0.992 8.896 1.00 39.28 H new ATOM 0 HD21 ASN A 129 2.174 -1.648 8.652 1.00 37.18 H new ATOM 0 HD22 ASN A 129 3.397 -0.390 8.860 1.00 37.18 H new ATOM 1768 N ASN A 130 8.127 -0.851 6.329 1.00 54.30 N ATOM 1769 CA ASN A 130 9.478 -0.287 6.329 1.00 56.86 C ATOM 1770 C ASN A 130 9.808 0.338 4.980 1.00 60.77 C ATOM 1771 O ASN A 130 9.460 -0.204 3.931 1.00 59.36 O ATOM 1772 CB ASN A 130 10.519 -1.357 6.673 1.00 60.10 C ATOM 1773 CG ASN A 130 11.934 -0.810 6.693 1.00 66.88 C ATOM 1774 OD1 ASN A 130 12.649 -0.864 5.690 1.00 72.02 O ATOM 1775 ND2 ASN A 130 12.352 -0.280 7.831 1.00 69.88 N ATOM 0 H ASN A 130 8.061 -1.800 5.961 1.00 54.30 H new ATOM 0 HA ASN A 130 9.509 0.490 7.092 1.00 56.86 H new ATOM 0 HB2 ASN A 130 10.285 -1.786 7.648 1.00 60.10 H new ATOM 0 HB3 ASN A 130 10.457 -2.166 5.946 1.00 60.10 H new ATOM 0 HD21 ASN A 130 13.295 0.102 7.900 1.00 69.88 H new ATOM 0 HD22 ASN A 130 11.731 -0.253 8.640 1.00 69.88 H new TER 1782 ASN A 130 ATOM 1783 N MET B 1 -15.950 19.704 8.522 1.00 9.67 N ATOM 1784 CA MET B 1 -15.962 18.357 9.139 1.00 10.38 C ATOM 1785 C MET B 1 -14.553 17.958 9.559 1.00 9.62 C ATOM 1786 O MET B 1 -13.574 18.321 8.905 1.00 9.62 O ATOM 1787 CB MET B 1 -16.548 17.319 8.169 1.00 13.77 C ATOM 1788 CG MET B 1 -15.689 17.052 6.943 1.00 16.29 C ATOM 1789 SD MET B 1 -16.441 15.863 5.814 1.00 17.17 S ATOM 1790 CE MET B 1 -15.146 15.686 4.588 1.00 16.11 C ATOM 0 H1 MET B 1 -16.781 19.811 7.907 1.00 9.67 H new ATOM 0 H2 MET B 1 -15.976 20.428 9.268 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.084 19.820 7.957 1.00 9.67 H new ATOM 0 HA MET B 1 -16.595 18.389 10.025 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.697 16.382 8.705 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.531 17.659 7.842 1.00 13.77 H new ATOM 0 HG2 MET B 1 -15.515 17.989 6.415 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.715 16.680 7.261 1.00 16.29 H new ATOM 0 HE1 MET B 1 -15.465 14.980 3.821 1.00 16.11 H new ATOM 0 HE2 MET B 1 -14.945 16.654 4.129 1.00 16.11 H new ATOM 0 HE3 MET B 1 -14.239 15.316 5.067 1.00 16.11 H new ATOM 1802 N GLN B 2 -14.448 17.226 10.656 1.00 9.27 N ATOM 1803 CA GLN B 2 -13.153 16.792 11.157 1.00 9.07 C ATOM 1804 C GLN B 2 -12.830 15.387 10.668 1.00 8.72 C ATOM 1805 O GLN B 2 -13.597 14.451 10.900 1.00 8.22 O ATOM 1806 CB GLN B 2 -13.137 16.832 12.685 1.00 14.46 C ATOM 1807 CG GLN B 2 -13.173 18.240 13.256 1.00 17.01 C ATOM 1808 CD GLN B 2 -11.792 18.774 13.588 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -10.906 18.031 14.007 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -11.597 20.068 13.405 1.00 19.49 N ATOM 0 H GLN B 2 -15.243 16.920 11.217 1.00 9.27 H new ATOM 0 HA GLN B 2 -12.392 17.474 10.776 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -13.993 16.273 13.064 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -12.241 16.326 13.044 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -13.653 18.906 12.539 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -13.787 18.247 14.157 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -12.356 20.654 13.056 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -10.688 20.481 13.613 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.705 15.250 9.980 1.00 5.87 N ATOM 1820 CA ILE B 3 -11.275 13.957 9.463 1.00 5.07 C ATOM 1821 C ILE B 3 -10.122 13.409 10.292 1.00 4.01 C ATOM 1822 O ILE B 3 -9.570 14.112 11.140 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.842 14.032 7.981 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.755 15.094 7.785 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -12.045 14.322 7.097 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -9.044 14.990 6.451 1.00 10.83 C ATOM 0 H ILE B 3 -11.072 16.020 9.766 1.00 5.87 H new ATOM 0 HA ILE B 3 -12.135 13.290 9.532 1.00 5.07 H new ATOM 0 HB ILE B 3 -10.424 13.067 7.693 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -10.204 16.083 7.872 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -9.022 15.005 8.587 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -11.727 14.373 6.056 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -12.782 13.528 7.214 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -12.489 15.274 7.388 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -8.288 15.772 6.380 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -8.566 14.014 6.369 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.766 15.109 5.643 1.00 10.83 H new ATOM 1838 N PHE B 4 -9.751 12.162 10.037 1.00 4.55 N ATOM 1839 CA PHE B 4 -8.676 11.521 10.782 1.00 4.68 C ATOM 1840 C PHE B 4 -7.517 11.145 9.864 1.00 5.30 C ATOM 1841 O PHE B 4 -7.638 10.250 9.029 1.00 5.58 O ATOM 1842 CB PHE B 4 -9.200 10.267 11.493 1.00 4.83 C ATOM 1843 CG PHE B 4 -10.391 10.522 12.377 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -10.222 10.926 13.692 1.00 6.69 C ATOM 1845 CD2 PHE B 4 -11.680 10.358 11.892 1.00 8.34 C ATOM 1846 CE1 PHE B 4 -11.316 11.162 14.504 1.00 9.10 C ATOM 1847 CE2 PHE B 4 -12.777 10.593 12.701 1.00 10.61 C ATOM 1848 CZ PHE B 4 -12.593 10.996 14.009 1.00 8.90 C ATOM 0 H PHE B 4 -10.178 11.574 9.321 1.00 4.55 H new ATOM 0 HA PHE B 4 -8.311 12.232 11.523 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -9.468 9.522 10.744 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -8.398 9.840 12.095 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -9.225 11.058 14.087 1.00 6.69 H new ATOM 0 HD2 PHE B 4 -11.829 10.043 10.870 1.00 8.34 H new ATOM 0 HE1 PHE B 4 -11.171 11.477 15.527 1.00 9.10 H new ATOM 0 HE2 PHE B 4 -13.775 10.462 12.311 1.00 10.61 H new ATOM 0 HZ PHE B 4 -13.447 11.181 14.643 1.00 8.90 H new ATOM 1858 N VAL B 5 -6.400 11.843 10.011 1.00 4.44 N ATOM 1859 CA VAL B 5 -5.217 11.567 9.207 1.00 3.87 C ATOM 1860 C VAL B 5 -4.152 10.888 10.064 1.00 4.93 C ATOM 1861 O VAL B 5 -3.706 11.445 11.065 1.00 6.84 O ATOM 1862 CB VAL B 5 -4.631 12.854 8.590 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -3.558 12.516 7.565 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.728 13.698 7.957 1.00 9.13 C ATOM 0 H VAL B 5 -6.288 12.605 10.680 1.00 4.44 H new ATOM 0 HA VAL B 5 -5.520 10.907 8.394 1.00 3.87 H new ATOM 0 HB VAL B 5 -4.172 13.436 9.390 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -3.157 13.437 7.141 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -2.755 11.959 8.049 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.992 11.910 6.770 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -5.291 14.600 7.528 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -6.221 13.125 7.172 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -6.459 13.974 8.717 1.00 9.13 H new ATOM 1874 N LYS B 6 -3.757 9.686 9.675 1.00 6.04 N ATOM 1875 CA LYS B 6 -2.760 8.931 10.420 1.00 6.12 C ATOM 1876 C LYS B 6 -1.403 8.969 9.723 1.00 6.57 C ATOM 1877 O LYS B 6 -1.280 8.622 8.544 1.00 5.76 O ATOM 1878 CB LYS B 6 -3.220 7.482 10.599 1.00 7.45 C ATOM 1879 CG LYS B 6 -4.460 7.336 11.470 1.00 11.12 C ATOM 1880 CD LYS B 6 -4.881 5.881 11.613 1.00 14.54 C ATOM 1881 CE LYS B 6 -6.156 5.745 12.433 1.00 18.84 C ATOM 1882 NZ LYS B 6 -6.603 4.331 12.538 1.00 20.55 N ATOM 0 H LYS B 6 -4.112 9.211 8.845 1.00 6.04 H new ATOM 0 HA LYS B 6 -2.649 9.395 11.400 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -3.423 7.051 9.619 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -2.408 6.904 11.039 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -4.263 7.756 12.456 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -5.279 7.910 11.036 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -5.035 5.447 10.625 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -4.080 5.315 12.088 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -5.989 6.147 13.432 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -6.946 6.342 11.977 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -7.474 4.283 13.104 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -6.787 3.954 11.587 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -5.861 3.765 12.997 1.00 20.55 H new ATOM 1896 N THR B 7 -0.390 9.397 10.460 1.00 7.41 N ATOM 1897 CA THR B 7 0.966 9.479 9.940 1.00 7.48 C ATOM 1898 C THR B 7 1.680 8.135 10.091 1.00 8.75 C ATOM 1899 O THR B 7 1.038 7.109 10.324 1.00 8.58 O ATOM 1900 CB THR B 7 1.761 10.565 10.686 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.706 10.315 12.097 1.00 11.78 O ATOM 1902 CG2 THR B 7 1.207 11.949 10.389 1.00 9.17 C ATOM 0 H THR B 7 -0.484 9.696 11.431 1.00 7.41 H new ATOM 0 HA THR B 7 0.908 9.737 8.883 1.00 7.48 H new ATOM 0 HB THR B 7 2.795 10.531 10.344 1.00 9.61 H new ATOM 0 HG1 THR B 7 2.616 10.208 12.446 1.00 11.78 H new ATOM 0 HG21 THR B 7 1.788 12.697 10.929 1.00 9.17 H new ATOM 0 HG22 THR B 7 1.270 12.144 9.318 1.00 9.17 H new ATOM 0 HG23 THR B 7 0.165 12.000 10.706 1.00 9.17 H new ATOM 1910 N LEU B 8 3.003 8.141 9.955 1.00 9.84 N ATOM 1911 CA LEU B 8 3.791 6.921 10.097 1.00 14.15 C ATOM 1912 C LEU B 8 4.022 6.626 11.572 1.00 17.37 C ATOM 1913 O LEU B 8 4.187 5.475 11.979 1.00 17.01 O ATOM 1914 CB LEU B 8 5.142 7.051 9.386 1.00 16.63 C ATOM 1915 CG LEU B 8 5.077 7.209 7.866 1.00 18.88 C ATOM 1916 CD1 LEU B 8 5.180 8.674 7.474 1.00 19.31 C ATOM 1917 CD2 LEU B 8 6.181 6.402 7.201 1.00 18.59 C ATOM 0 H LEU B 8 3.551 8.976 9.747 1.00 9.84 H new ATOM 0 HA LEU B 8 3.236 6.103 9.638 1.00 14.15 H new ATOM 0 HB2 LEU B 8 5.669 7.910 9.800 1.00 16.63 H new ATOM 0 HB3 LEU B 8 5.740 6.169 9.616 1.00 16.63 H new ATOM 0 HG LEU B 8 4.115 6.829 7.522 1.00 18.88 H new ATOM 0 HD11 LEU B 8 5.132 8.765 6.389 1.00 19.31 H new ATOM 0 HD12 LEU B 8 4.356 9.229 7.921 1.00 19.31 H new ATOM 0 HD13 LEU B 8 6.127 9.080 7.830 1.00 19.31 H new ATOM 0 HD21 LEU B 8 6.121 6.525 6.120 1.00 18.59 H new ATOM 0 HD22 LEU B 8 7.151 6.753 7.553 1.00 18.59 H new ATOM 0 HD23 LEU B 8 6.064 5.348 7.453 1.00 18.59 H new ATOM 1929 N THR B 9 4.026 7.685 12.369 1.00 18.33 N ATOM 1930 CA THR B 9 4.228 7.578 13.804 1.00 19.24 C ATOM 1931 C THR B 9 2.976 7.053 14.501 1.00 19.48 C ATOM 1932 O THR B 9 3.013 6.679 15.675 1.00 23.14 O ATOM 1933 CB THR B 9 4.595 8.952 14.390 1.00 18.97 C ATOM 1934 OG1 THR B 9 4.022 9.984 13.575 1.00 20.24 O ATOM 1935 CG2 THR B 9 6.104 9.132 14.460 1.00 19.70 C ATOM 0 H THR B 9 3.889 8.640 12.038 1.00 18.33 H new ATOM 0 HA THR B 9 5.043 6.874 13.973 1.00 19.24 H new ATOM 0 HB THR B 9 4.198 9.014 15.403 1.00 18.97 H new ATOM 0 HG1 THR B 9 4.253 10.861 13.947 1.00 20.24 H new ATOM 0 HG21 THR B 9 6.335 10.112 14.878 1.00 19.70 H new ATOM 0 HG22 THR B 9 6.534 8.357 15.094 1.00 19.70 H new ATOM 0 HG23 THR B 9 6.526 9.057 13.458 1.00 19.70 H new ATOM 1943 N GLY B 10 1.872 7.020 13.764 1.00 19.43 N ATOM 1944 CA GLY B 10 0.619 6.552 14.322 1.00 18.74 C ATOM 1945 C GLY B 10 -0.210 7.692 14.867 1.00 17.62 C ATOM 1946 O GLY B 10 -1.251 7.477 15.485 1.00 19.74 O ATOM 0 H GLY B 10 1.823 7.310 12.787 1.00 19.43 H new ATOM 0 HA2 GLY B 10 0.053 6.025 13.554 1.00 18.74 H new ATOM 0 HA3 GLY B 10 0.820 5.835 15.118 1.00 18.74 H new ATOM 1950 N LYS B 11 0.260 8.907 14.624 1.00 13.56 N ATOM 1951 CA LYS B 11 -0.417 10.106 15.088 1.00 11.91 C ATOM 1952 C LYS B 11 -1.688 10.350 14.280 1.00 10.18 C ATOM 1953 O LYS B 11 -1.651 10.394 13.050 1.00 9.10 O ATOM 1954 CB LYS B 11 0.524 11.310 14.974 1.00 13.43 C ATOM 1955 CG LYS B 11 -0.068 12.616 15.484 1.00 16.69 C ATOM 1956 CD LYS B 11 0.889 13.779 15.255 1.00 17.92 C ATOM 1957 CE LYS B 11 0.340 15.081 15.815 1.00 20.81 C ATOM 1958 NZ LYS B 11 1.273 16.216 15.591 1.00 21.93 N ATOM 0 H LYS B 11 1.117 9.088 14.102 1.00 13.56 H new ATOM 0 HA LYS B 11 -0.696 9.970 16.133 1.00 11.91 H new ATOM 0 HB2 LYS B 11 1.437 11.097 15.530 1.00 13.43 H new ATOM 0 HB3 LYS B 11 0.809 11.437 13.929 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -1.013 12.813 14.977 1.00 16.69 H new ATOM 0 HG3 LYS B 11 -0.290 12.527 16.548 1.00 16.69 H new ATOM 0 HD2 LYS B 11 1.848 13.558 15.723 1.00 17.92 H new ATOM 0 HD3 LYS B 11 1.074 13.892 14.187 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -0.620 15.302 15.347 1.00 20.81 H new ATOM 0 HE3 LYS B 11 0.155 14.968 16.883 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 1.486 16.675 16.500 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 2.154 15.862 15.167 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 0.833 16.906 14.950 1.00 21.93 H new ATOM 1972 N THR B 12 -2.806 10.480 14.975 1.00 9.63 N ATOM 1973 CA THR B 12 -4.083 10.730 14.334 1.00 9.85 C ATOM 1974 C THR B 12 -4.412 12.217 14.388 1.00 11.66 C ATOM 1975 O THR B 12 -4.960 12.714 15.378 1.00 12.33 O ATOM 1976 CB THR B 12 -5.212 9.932 15.011 1.00 10.85 C ATOM 1977 OG1 THR B 12 -4.698 8.690 15.520 1.00 10.91 O ATOM 1978 CG2 THR B 12 -6.341 9.654 14.028 1.00 9.63 C ATOM 0 H THR B 12 -2.853 10.416 15.992 1.00 9.63 H new ATOM 0 HA THR B 12 -4.005 10.407 13.296 1.00 9.85 H new ATOM 0 HB THR B 12 -5.606 10.527 15.835 1.00 10.85 H new ATOM 0 HG1 THR B 12 -5.421 8.189 15.951 1.00 10.91 H new ATOM 0 HG21 THR B 12 -7.128 9.089 14.528 1.00 9.63 H new ATOM 0 HG22 THR B 12 -6.747 10.598 13.664 1.00 9.63 H new ATOM 0 HG23 THR B 12 -5.957 9.076 13.187 1.00 9.63 H new ATOM 1986 N ILE B 13 -4.060 12.926 13.328 1.00 10.42 N ATOM 1987 CA ILE B 13 -4.296 14.357 13.252 1.00 11.84 C ATOM 1988 C ILE B 13 -5.713 14.644 12.778 1.00 10.55 C ATOM 1989 O ILE B 13 -6.119 14.218 11.694 1.00 11.92 O ATOM 1990 CB ILE B 13 -3.295 15.049 12.301 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -1.884 14.489 12.502 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -3.306 16.555 12.528 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -0.881 14.996 11.487 1.00 16.46 C ATOM 0 H ILE B 13 -3.607 12.530 12.504 1.00 10.42 H new ATOM 0 HA ILE B 13 -4.157 14.757 14.256 1.00 11.84 H new ATOM 0 HB ILE B 13 -3.600 14.848 11.274 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -1.538 14.748 13.503 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.923 13.401 12.450 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.596 17.030 11.851 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -4.306 16.944 12.337 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -3.024 16.770 13.559 1.00 17.08 H new ATOM 0 HD11 ILE B 13 0.096 14.558 11.691 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -1.203 14.714 10.485 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -0.813 16.082 11.554 1.00 16.46 H new ATOM 2005 N THR B 14 -6.470 15.337 13.608 1.00 9.39 N ATOM 2006 CA THR B 14 -7.835 15.698 13.277 1.00 9.63 C ATOM 2007 C THR B 14 -7.858 17.073 12.620 1.00 11.20 C ATOM 2008 O THR B 14 -7.647 18.091 13.281 1.00 11.63 O ATOM 2009 CB THR B 14 -8.715 15.705 14.538 1.00 10.38 C ATOM 2010 OG1 THR B 14 -7.965 15.191 15.649 1.00 16.30 O ATOM 2011 CG2 THR B 14 -9.961 14.857 14.336 1.00 11.66 C ATOM 0 H THR B 14 -6.159 15.663 14.523 1.00 9.39 H new ATOM 0 HA THR B 14 -8.233 14.958 12.583 1.00 9.63 H new ATOM 0 HB THR B 14 -9.022 16.732 14.738 1.00 10.38 H new ATOM 0 HG1 THR B 14 -8.525 15.197 16.453 1.00 16.30 H new ATOM 0 HG21 THR B 14 -10.566 14.878 15.242 1.00 11.66 H new ATOM 0 HG22 THR B 14 -10.541 15.255 13.503 1.00 11.66 H new ATOM 0 HG23 THR B 14 -9.670 13.829 14.118 1.00 11.66 H new ATOM 2019 N LEU B 15 -8.084 17.102 11.318 1.00 8.29 N ATOM 2020 CA LEU B 15 -8.105 18.356 10.583 1.00 9.03 C ATOM 2021 C LEU B 15 -9.515 18.721 10.141 1.00 8.59 C ATOM 2022 O LEU B 15 -10.322 17.850 9.808 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.180 18.271 9.367 1.00 11.08 C ATOM 2024 CG LEU B 15 -5.685 18.356 9.687 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -4.935 17.202 9.044 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.119 19.692 9.221 1.00 15.27 C ATOM 0 H LEU B 15 -8.255 16.273 10.748 1.00 8.29 H new ATOM 0 HA LEU B 15 -7.750 19.140 11.252 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -7.373 17.333 8.847 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -7.435 19.076 8.677 1.00 11.08 H new ATOM 0 HG LEU B 15 -5.557 18.285 10.767 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -3.874 17.280 9.283 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -5.325 16.258 9.425 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -5.067 17.240 7.963 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -4.055 19.738 9.455 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.258 19.790 8.144 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -5.638 20.504 9.730 1.00 15.27 H new ATOM 2038 N GLU B 16 -9.800 20.016 10.151 1.00 11.04 N ATOM 2039 CA GLU B 16 -11.098 20.528 9.746 1.00 11.50 C ATOM 2040 C GLU B 16 -11.104 20.801 8.245 1.00 10.13 C ATOM 2041 O GLU B 16 -10.427 21.711 7.767 1.00 9.83 O ATOM 2042 CB GLU B 16 -11.416 21.816 10.509 1.00 17.22 C ATOM 2043 CG GLU B 16 -12.831 22.324 10.288 1.00 23.33 C ATOM 2044 CD GLU B 16 -13.841 21.627 11.173 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -13.631 21.591 12.405 1.00 28.86 O ATOM 2046 OE2 GLU B 16 -14.855 21.120 10.643 1.00 28.90 O ATOM 0 H GLU B 16 -9.139 20.737 10.439 1.00 11.04 H new ATOM 0 HA GLU B 16 -11.859 19.782 9.977 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -11.264 21.644 11.574 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -10.710 22.590 10.207 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -12.863 23.396 10.480 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -13.107 22.179 9.243 1.00 23.33 H new ATOM 2053 N VAL B 17 -11.849 19.997 7.508 1.00 8.99 N ATOM 2054 CA VAL B 17 -11.947 20.151 6.063 1.00 8.85 C ATOM 2055 C VAL B 17 -13.397 20.027 5.615 1.00 8.04 C ATOM 2056 O VAL B 17 -14.288 19.848 6.440 1.00 8.99 O ATOM 2057 CB VAL B 17 -11.096 19.099 5.318 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -9.611 19.340 5.546 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -11.484 17.694 5.753 1.00 10.54 C ATOM 0 H VAL B 17 -12.399 19.226 7.887 1.00 8.99 H new ATOM 0 HA VAL B 17 -11.566 21.142 5.817 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.294 19.197 4.251 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -9.034 18.586 5.011 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -9.343 20.331 5.179 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.391 19.276 6.612 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -10.874 16.966 5.218 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -11.320 17.587 6.825 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -12.536 17.521 5.528 1.00 10.54 H new ATOM 2069 N GLU B 18 -13.622 20.112 4.315 1.00 7.29 N ATOM 2070 CA GLU B 18 -14.959 20.011 3.747 1.00 7.08 C ATOM 2071 C GLU B 18 -14.876 19.317 2.388 1.00 6.45 C ATOM 2072 O GLU B 18 -13.798 19.244 1.809 1.00 5.28 O ATOM 2073 CB GLU B 18 -15.579 21.406 3.606 1.00 10.28 C ATOM 2074 CG GLU B 18 -16.196 21.932 4.893 1.00 12.65 C ATOM 2075 CD GLU B 18 -17.427 21.152 5.310 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -18.536 21.508 4.861 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -17.296 20.180 6.084 1.00 18.17 O ATOM 0 H GLU B 18 -12.886 20.253 3.623 1.00 7.29 H new ATOM 0 HA GLU B 18 -15.595 19.423 4.409 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -14.811 22.103 3.270 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -16.345 21.377 2.831 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -15.455 21.888 5.691 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.462 22.981 4.762 1.00 12.65 H new ATOM 2084 N PRO B 19 -15.998 18.792 1.863 1.00 7.24 N ATOM 2085 CA PRO B 19 -16.016 18.108 0.561 1.00 7.07 C ATOM 2086 C PRO B 19 -15.447 18.970 -0.565 1.00 6.65 C ATOM 2087 O PRO B 19 -14.705 18.485 -1.423 1.00 6.37 O ATOM 2088 CB PRO B 19 -17.504 17.837 0.320 1.00 7.61 C ATOM 2089 CG PRO B 19 -18.108 17.812 1.679 1.00 8.16 C ATOM 2090 CD PRO B 19 -17.330 18.805 2.495 1.00 7.49 C ATOM 0 HA PRO B 19 -15.398 17.210 0.571 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -17.953 18.614 -0.299 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -17.655 16.890 -0.198 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -19.164 18.079 1.642 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -18.047 16.815 2.115 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -17.782 19.796 2.461 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.281 18.513 3.544 1.00 7.49 H new ATOM 2098 N SER B 20 -15.775 20.256 -0.537 1.00 6.80 N ATOM 2099 CA SER B 20 -15.320 21.191 -1.554 1.00 6.28 C ATOM 2100 C SER B 20 -13.947 21.773 -1.222 1.00 8.45 C ATOM 2101 O SER B 20 -13.420 22.602 -1.967 1.00 7.26 O ATOM 2102 CB SER B 20 -16.345 22.316 -1.692 1.00 8.57 C ATOM 2103 OG SER B 20 -16.918 22.628 -0.430 1.00 11.13 O ATOM 0 H SER B 20 -16.359 20.676 0.186 1.00 6.80 H new ATOM 0 HA SER B 20 -15.223 20.650 -2.496 1.00 6.28 H new ATOM 0 HB2 SER B 20 -15.867 23.202 -2.109 1.00 8.57 H new ATOM 0 HB3 SER B 20 -17.128 22.018 -2.389 1.00 8.57 H new ATOM 0 HG SER B 20 -17.571 23.351 -0.537 1.00 11.13 H new ATOM 2109 N ASP B 21 -13.365 21.336 -0.112 1.00 7.50 N ATOM 2110 CA ASP B 21 -12.058 21.829 0.304 1.00 7.70 C ATOM 2111 C ASP B 21 -10.969 21.186 -0.538 1.00 7.08 C ATOM 2112 O ASP B 21 -10.842 19.961 -0.577 1.00 8.11 O ATOM 2113 CB ASP B 21 -11.814 21.546 1.790 1.00 11.00 C ATOM 2114 CG ASP B 21 -10.835 22.516 2.422 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -10.828 23.701 2.027 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -10.098 22.112 3.342 1.00 14.36 O ATOM 0 H ASP B 21 -13.776 20.644 0.514 1.00 7.50 H new ATOM 0 HA ASP B 21 -12.034 22.909 0.155 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -12.763 21.595 2.325 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -11.436 20.530 1.904 1.00 11.00 H new ATOM 2121 N THR B 22 -10.209 22.018 -1.235 1.00 5.37 N ATOM 2122 CA THR B 22 -9.131 21.547 -2.085 1.00 6.01 C ATOM 2123 C THR B 22 -8.028 20.893 -1.258 1.00 8.01 C ATOM 2124 O THR B 22 -7.711 21.355 -0.161 1.00 8.11 O ATOM 2125 CB THR B 22 -8.527 22.710 -2.890 1.00 8.92 C ATOM 2126 OG1 THR B 22 -9.417 23.839 -2.853 1.00 10.22 O ATOM 2127 CG2 THR B 22 -8.273 22.298 -4.334 1.00 9.65 C ATOM 0 H THR B 22 -10.323 23.032 -1.226 1.00 5.37 H new ATOM 0 HA THR B 22 -9.553 20.810 -2.768 1.00 6.01 H new ATOM 0 HB THR B 22 -7.573 22.983 -2.439 1.00 8.92 H new ATOM 0 HG1 THR B 22 -9.029 24.579 -3.365 1.00 10.22 H new ATOM 0 HG21 THR B 22 -7.846 23.138 -4.882 1.00 9.65 H new ATOM 0 HG22 THR B 22 -7.578 21.459 -4.356 1.00 9.65 H new ATOM 0 HG23 THR B 22 -9.214 22.002 -4.799 1.00 9.65 H new ATOM 2135 N ILE B 23 -7.450 19.819 -1.792 1.00 8.32 N ATOM 2136 CA ILE B 23 -6.371 19.106 -1.118 1.00 9.92 C ATOM 2137 C ILE B 23 -5.232 20.065 -0.776 1.00 10.01 C ATOM 2138 O ILE B 23 -4.626 19.968 0.289 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.827 17.950 -1.991 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.932 16.932 -2.290 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.641 17.268 -1.316 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -7.532 16.291 -1.057 1.00 12.30 C ATOM 0 H ILE B 23 -7.714 19.423 -2.694 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.780 18.683 -0.200 1.00 9.92 H new ATOM 0 HB ILE B 23 -5.483 18.374 -2.935 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -7.725 17.427 -2.851 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -6.527 16.150 -2.932 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -4.277 16.459 -1.950 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.843 17.995 -1.161 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.954 16.862 -0.354 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -8.306 15.584 -1.355 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.753 15.765 -0.505 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.970 17.062 -0.423 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.966 21.000 -1.683 1.00 9.54 N ATOM 2155 CA GLU B 24 -3.919 21.994 -1.484 1.00 11.81 C ATOM 2156 C GLU B 24 -4.192 22.824 -0.231 1.00 11.14 C ATOM 2157 O GLU B 24 -3.268 23.181 0.504 1.00 10.62 O ATOM 2158 CB GLU B 24 -3.824 22.913 -2.702 1.00 19.24 C ATOM 2159 CG GLU B 24 -2.724 23.953 -2.586 1.00 27.76 C ATOM 2160 CD GLU B 24 -2.763 24.976 -3.699 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -3.789 25.673 -3.837 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -1.758 25.098 -4.430 1.00 36.51 O ATOM 0 H GLU B 24 -5.465 21.089 -2.568 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.972 21.470 -1.356 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -3.650 22.308 -3.592 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -4.779 23.419 -2.842 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -2.813 24.463 -1.627 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -1.756 23.453 -2.593 1.00 27.76 H new ATOM 2169 N ASN B 25 -5.463 23.113 0.023 1.00 9.43 N ATOM 2170 CA ASN B 25 -5.844 23.897 1.192 1.00 10.96 C ATOM 2171 C ASN B 25 -5.568 23.093 2.456 1.00 9.68 C ATOM 2172 O ASN B 25 -5.212 23.647 3.495 1.00 9.33 O ATOM 2173 CB ASN B 25 -7.317 24.306 1.130 1.00 16.78 C ATOM 2174 CG ASN B 25 -7.639 25.423 2.103 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -6.782 26.248 2.423 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -8.870 25.458 2.585 1.00 24.70 N ATOM 0 H ASN B 25 -6.244 22.818 -0.562 1.00 9.43 H new ATOM 0 HA ASN B 25 -5.249 24.810 1.206 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.562 24.626 0.117 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -7.943 23.441 1.351 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -9.138 26.187 3.246 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -9.551 24.756 2.295 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.724 21.778 2.350 1.00 6.52 N ATOM 2184 CA VAL B 26 -5.460 20.885 3.470 1.00 5.53 C ATOM 2185 C VAL B 26 -3.970 20.911 3.790 1.00 4.42 C ATOM 2186 O VAL B 26 -3.571 20.910 4.955 1.00 3.40 O ATOM 2187 CB VAL B 26 -5.901 19.436 3.171 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -5.814 18.573 4.424 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -7.310 19.409 2.597 1.00 8.12 C ATOM 0 H VAL B 26 -6.032 21.308 1.499 1.00 6.52 H new ATOM 0 HA VAL B 26 -6.040 21.235 4.324 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.221 19.023 2.426 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -6.130 17.557 4.188 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -4.786 18.559 4.786 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -6.464 18.985 5.196 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.600 18.378 2.394 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -8.004 19.847 3.315 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.337 19.983 1.671 1.00 8.12 H new ATOM 2199 N LYS B 27 -3.158 20.968 2.737 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.710 21.022 2.880 1.00 4.14 C ATOM 2201 C LYS B 27 -1.318 22.286 3.636 1.00 5.58 C ATOM 2202 O LYS B 27 -0.430 22.271 4.490 1.00 4.11 O ATOM 2203 CB LYS B 27 -1.028 21.009 1.506 1.00 3.97 C ATOM 2204 CG LYS B 27 -1.566 19.950 0.553 1.00 7.45 C ATOM 2205 CD LYS B 27 -1.009 18.570 0.859 1.00 9.02 C ATOM 2206 CE LYS B 27 0.353 18.364 0.217 1.00 12.90 C ATOM 2207 NZ LYS B 27 0.282 18.342 -1.269 1.00 15.47 N ATOM 0 H LYS B 27 -3.484 20.978 1.770 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.382 20.144 3.437 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -1.145 21.990 1.045 1.00 3.97 H new ATOM 0 HB3 LYS B 27 0.041 20.848 1.645 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -2.654 19.924 0.617 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -1.314 20.223 -0.472 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -0.927 18.441 1.938 1.00 9.02 H new ATOM 0 HD3 LYS B 27 -1.701 17.809 0.499 1.00 9.02 H new ATOM 0 HE2 LYS B 27 1.025 19.161 0.534 1.00 12.90 H new ATOM 0 HE3 LYS B 27 0.781 17.426 0.572 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 1.167 17.953 -1.653 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 -0.517 17.748 -1.570 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 0.147 19.310 -1.624 1.00 15.47 H new ATOM 2221 N ALA B 28 -2.002 23.380 3.315 1.00 6.61 N ATOM 2222 CA ALA B 28 -1.760 24.664 3.956 1.00 7.74 C ATOM 2223 C ALA B 28 -2.125 24.605 5.435 1.00 9.17 C ATOM 2224 O ALA B 28 -1.472 25.227 6.275 1.00 11.45 O ATOM 2225 CB ALA B 28 -2.556 25.752 3.257 1.00 7.68 C ATOM 0 H ALA B 28 -2.736 23.400 2.607 1.00 6.61 H new ATOM 0 HA ALA B 28 -0.698 24.897 3.877 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -2.369 26.709 3.743 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -2.252 25.810 2.212 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -3.619 25.518 3.313 1.00 7.68 H new ATOM 2231 N LYS B 29 -3.173 23.852 5.746 1.00 8.96 N ATOM 2232 CA LYS B 29 -3.624 23.692 7.121 1.00 7.90 C ATOM 2233 C LYS B 29 -2.586 22.918 7.928 1.00 6.92 C ATOM 2234 O LYS B 29 -2.292 23.260 9.075 1.00 6.87 O ATOM 2235 CB LYS B 29 -4.988 22.994 7.149 1.00 10.28 C ATOM 2236 CG LYS B 29 -6.103 23.865 6.593 1.00 14.94 C ATOM 2237 CD LYS B 29 -7.419 23.114 6.454 1.00 19.69 C ATOM 2238 CE LYS B 29 -8.492 24.004 5.845 1.00 22.63 C ATOM 2239 NZ LYS B 29 -9.785 23.293 5.663 1.00 24.98 N ATOM 0 H LYS B 29 -3.728 23.341 5.060 1.00 8.96 H new ATOM 0 HA LYS B 29 -3.739 24.675 7.579 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -4.931 22.071 6.572 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -5.228 22.715 8.175 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -6.247 24.725 7.247 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -5.805 24.252 5.618 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -7.275 22.233 5.829 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -7.746 22.761 7.432 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -8.646 24.873 6.485 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -8.147 24.376 4.880 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -10.541 23.986 5.491 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -9.715 22.648 4.850 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -10.005 22.747 6.521 1.00 24.98 H new ATOM 2253 N ILE B 30 -2.020 21.885 7.315 1.00 4.57 N ATOM 2254 CA ILE B 30 -0.994 21.083 7.964 1.00 5.58 C ATOM 2255 C ILE B 30 0.293 21.898 8.074 1.00 7.26 C ATOM 2256 O ILE B 30 1.016 21.819 9.066 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.717 19.777 7.184 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -2.011 18.974 7.014 1.00 2.94 C ATOM 2259 CG2 ILE B 30 0.333 18.940 7.902 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.885 17.805 6.060 1.00 2.00 C ATOM 0 H ILE B 30 -2.255 21.584 6.369 1.00 4.57 H new ATOM 0 HA ILE B 30 -1.352 20.811 8.957 1.00 5.58 H new ATOM 0 HB ILE B 30 -0.336 20.038 6.197 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -2.328 18.603 7.989 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.796 19.640 6.656 1.00 2.94 H new ATOM 0 HG21 ILE B 30 0.516 18.025 7.339 1.00 2.78 H new ATOM 0 HG22 ILE B 30 1.260 19.508 7.981 1.00 2.78 H new ATOM 0 HG23 ILE B 30 -0.024 18.687 8.900 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.841 17.286 5.992 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.599 18.170 5.073 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -1.124 17.117 6.427 1.00 2.00 H new ATOM 2272 N GLN B 31 0.548 22.706 7.053 1.00 7.06 N ATOM 2273 CA GLN B 31 1.729 23.559 7.003 1.00 8.67 C ATOM 2274 C GLN B 31 1.705 24.589 8.129 1.00 10.90 C ATOM 2275 O GLN B 31 2.740 24.939 8.687 1.00 9.63 O ATOM 2276 CB GLN B 31 1.791 24.268 5.648 1.00 9.12 C ATOM 2277 CG GLN B 31 2.882 25.322 5.539 1.00 10.76 C ATOM 2278 CD GLN B 31 2.671 26.245 4.357 1.00 13.78 C ATOM 2279 OE1 GLN B 31 1.536 26.535 3.974 1.00 14.48 O ATOM 2280 NE2 GLN B 31 3.757 26.710 3.766 1.00 14.76 N ATOM 0 H GLN B 31 -0.058 22.789 6.236 1.00 7.06 H new ATOM 0 HA GLN B 31 2.614 22.936 7.131 1.00 8.67 H new ATOM 0 HB2 GLN B 31 1.944 23.522 4.868 1.00 9.12 H new ATOM 0 HB3 GLN B 31 0.827 24.739 5.454 1.00 9.12 H new ATOM 0 HG2 GLN B 31 2.909 25.910 6.456 1.00 10.76 H new ATOM 0 HG3 GLN B 31 3.851 24.831 5.446 1.00 10.76 H new ATOM 0 HE21 GLN B 31 4.679 26.446 4.113 1.00 14.76 H new ATOM 0 HE22 GLN B 31 3.673 27.333 2.962 1.00 14.76 H new ATOM 2289 N ASP B 32 0.515 25.060 8.462 1.00 10.93 N ATOM 2290 CA ASP B 32 0.353 26.060 9.509 1.00 14.01 C ATOM 2291 C ASP B 32 0.448 25.450 10.908 1.00 14.04 C ATOM 2292 O ASP B 32 1.066 26.027 11.802 1.00 13.39 O ATOM 2293 CB ASP B 32 -0.990 26.771 9.340 1.00 18.01 C ATOM 2294 CG ASP B 32 -1.282 27.755 10.456 1.00 24.33 C ATOM 2295 OD1 ASP B 32 -0.594 28.797 10.536 1.00 26.29 O ATOM 2296 OD2 ASP B 32 -2.214 27.498 11.246 1.00 25.17 O ATOM 0 H ASP B 32 -0.357 24.766 8.022 1.00 10.93 H new ATOM 0 HA ASP B 32 1.168 26.777 9.410 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -0.998 27.298 8.386 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -1.786 26.028 9.300 1.00 18.01 H new ATOM 2301 N LYS B 33 -0.148 24.282 11.096 1.00 14.22 N ATOM 2302 CA LYS B 33 -0.138 23.635 12.405 1.00 14.00 C ATOM 2303 C LYS B 33 1.143 22.836 12.661 1.00 12.37 C ATOM 2304 O LYS B 33 1.784 23.000 13.700 1.00 12.17 O ATOM 2305 CB LYS B 33 -1.361 22.728 12.555 1.00 18.62 C ATOM 2306 CG LYS B 33 -2.677 23.489 12.627 1.00 24.00 C ATOM 2307 CD LYS B 33 -3.799 22.623 13.175 1.00 27.61 C ATOM 2308 CE LYS B 33 -5.084 23.419 13.332 1.00 27.64 C ATOM 2309 NZ LYS B 33 -6.152 22.634 14.005 1.00 30.06 N ATOM 0 H LYS B 33 -0.641 23.765 10.368 1.00 14.22 H new ATOM 0 HA LYS B 33 -0.174 24.429 13.151 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -1.396 22.037 11.713 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -1.249 22.126 13.457 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -2.554 24.368 13.259 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -2.946 23.846 11.633 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -3.970 21.780 12.506 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.504 22.210 14.140 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -4.882 24.322 13.908 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -5.434 23.738 12.350 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -7.009 23.216 14.091 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -6.365 21.785 13.444 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -5.830 22.351 14.952 1.00 30.06 H new ATOM 2323 N GLU B 34 1.518 21.975 11.727 1.00 10.11 N ATOM 2324 CA GLU B 34 2.713 21.153 11.887 1.00 10.07 C ATOM 2325 C GLU B 34 3.967 21.922 11.482 1.00 9.32 C ATOM 2326 O GLU B 34 5.029 21.761 12.087 1.00 11.61 O ATOM 2327 CB GLU B 34 2.596 19.879 11.049 1.00 14.77 C ATOM 2328 CG GLU B 34 1.497 18.936 11.511 1.00 18.75 C ATOM 2329 CD GLU B 34 1.836 18.233 12.808 1.00 22.28 C ATOM 2330 OE1 GLU B 34 3.039 18.040 13.092 1.00 21.95 O ATOM 2331 OE2 GLU B 34 0.908 17.866 13.557 1.00 25.19 O ATOM 0 H GLU B 34 1.015 21.826 10.852 1.00 10.11 H new ATOM 0 HA GLU B 34 2.797 20.886 12.940 1.00 10.07 H new ATOM 0 HB2 GLU B 34 2.412 20.155 10.011 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.549 19.351 11.074 1.00 14.77 H new ATOM 0 HG2 GLU B 34 0.572 19.498 11.638 1.00 18.75 H new ATOM 0 HG3 GLU B 34 1.314 18.191 10.736 1.00 18.75 H new ATOM 2338 N GLY B 35 3.839 22.758 10.459 1.00 7.22 N ATOM 2339 CA GLY B 35 4.974 23.530 9.983 1.00 6.29 C ATOM 2340 C GLY B 35 5.670 22.857 8.818 1.00 6.93 C ATOM 2341 O GLY B 35 6.627 23.391 8.259 1.00 7.41 O ATOM 0 H GLY B 35 2.970 22.916 9.949 1.00 7.22 H new ATOM 0 HA2 GLY B 35 4.637 24.521 9.680 1.00 6.29 H new ATOM 0 HA3 GLY B 35 5.684 23.670 10.798 1.00 6.29 H new ATOM 2345 N ILE B 36 5.175 21.686 8.451 1.00 5.86 N ATOM 2346 CA ILE B 36 5.741 20.915 7.355 1.00 6.07 C ATOM 2347 C ILE B 36 5.369 21.531 6.007 1.00 6.36 C ATOM 2348 O ILE B 36 4.196 21.795 5.751 1.00 6.18 O ATOM 2349 CB ILE B 36 5.238 19.456 7.398 1.00 7.47 C ATOM 2350 CG1 ILE B 36 5.514 18.840 8.771 1.00 8.52 C ATOM 2351 CG2 ILE B 36 5.892 18.629 6.302 1.00 7.36 C ATOM 2352 CD1 ILE B 36 4.788 17.533 9.012 1.00 9.49 C ATOM 0 H ILE B 36 4.373 21.245 8.902 1.00 5.86 H new ATOM 0 HA ILE B 36 6.825 20.928 7.469 1.00 6.07 H new ATOM 0 HB ILE B 36 4.162 19.458 7.227 1.00 7.47 H new ATOM 0 HG12 ILE B 36 6.586 18.674 8.875 1.00 8.52 H new ATOM 0 HG13 ILE B 36 5.225 19.553 9.543 1.00 8.52 H new ATOM 0 HG21 ILE B 36 5.523 17.604 6.350 1.00 7.36 H new ATOM 0 HG22 ILE B 36 5.649 19.057 5.329 1.00 7.36 H new ATOM 0 HG23 ILE B 36 6.973 18.633 6.440 1.00 7.36 H new ATOM 0 HD11 ILE B 36 5.034 17.158 10.006 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.713 17.696 8.941 1.00 9.49 H new ATOM 0 HD13 ILE B 36 5.095 16.803 8.263 1.00 9.49 H new ATOM 2364 N PRO B 37 6.365 21.792 5.141 1.00 8.65 N ATOM 2365 CA PRO B 37 6.129 22.363 3.808 1.00 9.18 C ATOM 2366 C PRO B 37 5.151 21.521 2.985 1.00 9.85 C ATOM 2367 O PRO B 37 5.221 20.292 2.999 1.00 8.51 O ATOM 2368 CB PRO B 37 7.513 22.345 3.159 1.00 11.42 C ATOM 2369 CG PRO B 37 8.471 22.338 4.298 1.00 9.27 C ATOM 2370 CD PRO B 37 7.799 21.571 5.399 1.00 8.33 C ATOM 0 HA PRO B 37 5.683 23.356 3.865 1.00 9.18 H new ATOM 0 HB2 PRO B 37 7.642 21.465 2.529 1.00 11.42 H new ATOM 0 HB3 PRO B 37 7.662 23.217 2.523 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.412 21.868 4.013 1.00 9.27 H new ATOM 0 HG3 PRO B 37 8.706 23.354 4.617 1.00 9.27 H new ATOM 0 HD2 PRO B 37 8.055 20.512 5.366 1.00 8.33 H new ATOM 0 HD3 PRO B 37 8.092 21.939 6.382 1.00 8.33 H new ATOM 2378 N PRO B 38 4.234 22.173 2.252 1.00 8.71 N ATOM 2379 CA PRO B 38 3.228 21.488 1.424 1.00 9.08 C ATOM 2380 C PRO B 38 3.824 20.455 0.467 1.00 9.28 C ATOM 2381 O PRO B 38 3.291 19.357 0.321 1.00 6.50 O ATOM 2382 CB PRO B 38 2.586 22.626 0.630 1.00 10.31 C ATOM 2383 CG PRO B 38 2.779 23.834 1.474 1.00 10.81 C ATOM 2384 CD PRO B 38 4.091 23.640 2.184 1.00 12.00 C ATOM 0 HA PRO B 38 2.534 20.920 2.043 1.00 9.08 H new ATOM 0 HB2 PRO B 38 3.060 22.745 -0.345 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.528 22.435 0.449 1.00 10.31 H new ATOM 0 HG2 PRO B 38 2.796 24.737 0.864 1.00 10.81 H new ATOM 0 HG3 PRO B 38 1.962 23.946 2.187 1.00 10.81 H new ATOM 0 HD2 PRO B 38 4.915 24.098 1.637 1.00 12.00 H new ATOM 0 HD3 PRO B 38 4.080 24.088 3.177 1.00 12.00 H new ATOM 2392 N ASP B 39 4.938 20.803 -0.168 1.00 11.20 N ATOM 2393 CA ASP B 39 5.588 19.906 -1.125 1.00 14.96 C ATOM 2394 C ASP B 39 6.217 18.701 -0.436 1.00 13.99 C ATOM 2395 O ASP B 39 6.549 17.710 -1.084 1.00 13.75 O ATOM 2396 CB ASP B 39 6.654 20.649 -1.927 1.00 24.16 C ATOM 2397 CG ASP B 39 6.061 21.618 -2.928 1.00 31.06 C ATOM 2398 OD1 ASP B 39 5.130 21.231 -3.666 1.00 35.55 O ATOM 2399 OD2 ASP B 39 6.523 22.776 -2.978 1.00 34.22 O ATOM 0 H ASP B 39 5.411 21.697 -0.040 1.00 11.20 H new ATOM 0 HA ASP B 39 4.812 19.547 -1.801 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.305 21.193 -1.242 1.00 24.16 H new ATOM 0 HB3 ASP B 39 7.277 19.926 -2.453 1.00 24.16 H new ATOM 2404 N GLN B 40 6.396 18.787 0.872 1.00 11.60 N ATOM 2405 CA GLN B 40 6.977 17.688 1.628 1.00 10.76 C ATOM 2406 C GLN B 40 5.871 16.741 2.078 1.00 8.01 C ATOM 2407 O GLN B 40 6.116 15.572 2.374 1.00 8.96 O ATOM 2408 CB GLN B 40 7.745 18.214 2.840 1.00 11.14 C ATOM 2409 CG GLN B 40 8.866 17.295 3.296 1.00 14.85 C ATOM 2410 CD GLN B 40 9.224 17.488 4.756 1.00 16.11 C ATOM 2411 OE1 GLN B 40 9.001 18.554 5.327 1.00 20.52 O ATOM 2412 NE2 GLN B 40 9.798 16.464 5.368 1.00 18.16 N ATOM 0 H GLN B 40 6.149 19.603 1.431 1.00 11.60 H new ATOM 0 HA GLN B 40 7.677 17.150 0.988 1.00 10.76 H new ATOM 0 HB2 GLN B 40 8.163 19.191 2.598 1.00 11.14 H new ATOM 0 HB3 GLN B 40 7.048 18.361 3.665 1.00 11.14 H new ATOM 0 HG2 GLN B 40 8.570 16.259 3.133 1.00 14.85 H new ATOM 0 HG3 GLN B 40 9.749 17.474 2.683 1.00 14.85 H new ATOM 0 HE21 GLN B 40 9.966 15.596 4.860 1.00 18.16 H new ATOM 0 HE22 GLN B 40 10.072 16.543 6.347 1.00 18.16 H new ATOM 2421 N GLN B 41 4.651 17.263 2.105 1.00 6.52 N ATOM 2422 CA GLN B 41 3.488 16.493 2.513 1.00 3.87 C ATOM 2423 C GLN B 41 2.978 15.642 1.360 1.00 4.79 C ATOM 2424 O GLN B 41 2.838 16.123 0.233 1.00 6.34 O ATOM 2425 CB GLN B 41 2.360 17.417 2.970 1.00 4.20 C ATOM 2426 CG GLN B 41 2.741 18.411 4.053 1.00 3.20 C ATOM 2427 CD GLN B 41 1.631 19.414 4.292 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.461 19.115 4.076 1.00 5.21 O ATOM 2429 NE2 GLN B 41 1.981 20.605 4.739 1.00 7.13 N ATOM 0 H GLN B 41 4.443 18.227 1.846 1.00 6.52 H new ATOM 0 HA GLN B 41 3.793 15.851 3.339 1.00 3.87 H new ATOM 0 HB2 GLN B 41 1.990 17.969 2.106 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.535 16.805 3.334 1.00 4.20 H new ATOM 0 HG2 GLN B 41 2.959 17.878 4.979 1.00 3.20 H new ATOM 0 HG3 GLN B 41 3.652 18.935 3.765 1.00 3.20 H new ATOM 0 HE21 GLN B 41 2.964 20.818 4.907 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.268 21.313 4.916 1.00 7.13 H new ATOM 2438 N ARG B 42 2.714 14.383 1.642 1.00 5.73 N ATOM 2439 CA ARG B 42 2.196 13.465 0.642 1.00 6.97 C ATOM 2440 C ARG B 42 0.962 12.766 1.192 1.00 7.15 C ATOM 2441 O ARG B 42 1.065 11.920 2.081 1.00 7.33 O ATOM 2442 CB ARG B 42 3.262 12.436 0.247 1.00 13.23 C ATOM 2443 CG ARG B 42 4.576 13.070 -0.183 1.00 21.27 C ATOM 2444 CD ARG B 42 5.765 12.180 0.138 1.00 26.14 C ATOM 2445 NE ARG B 42 6.176 11.374 -1.008 1.00 32.26 N ATOM 2446 CZ ARG B 42 7.046 10.367 -0.941 1.00 34.32 C ATOM 2447 NH1 ARG B 42 7.589 10.020 0.222 1.00 35.30 N ATOM 2448 NH2 ARG B 42 7.383 9.709 -2.042 1.00 36.39 N ATOM 0 H ARG B 42 2.850 13.967 2.563 1.00 5.73 H new ATOM 0 HA ARG B 42 1.925 14.027 -0.251 1.00 6.97 H new ATOM 0 HB2 ARG B 42 3.446 11.771 1.091 1.00 13.23 H new ATOM 0 HB3 ARG B 42 2.879 11.820 -0.567 1.00 13.23 H new ATOM 0 HG2 ARG B 42 4.550 13.269 -1.254 1.00 21.27 H new ATOM 0 HG3 ARG B 42 4.696 14.031 0.317 1.00 21.27 H new ATOM 0 HD2 ARG B 42 6.602 12.798 0.464 1.00 26.14 H new ATOM 0 HD3 ARG B 42 5.511 11.523 0.970 1.00 26.14 H new ATOM 0 HE ARG B 42 5.771 11.596 -1.918 1.00 32.26 H new ATOM 0 HH11 ARG B 42 7.340 10.526 1.072 1.00 35.30 H new ATOM 0 HH12 ARG B 42 8.254 9.248 0.264 1.00 35.30 H new ATOM 0 HH21 ARG B 42 6.976 9.974 -2.939 1.00 36.39 H new ATOM 0 HH22 ARG B 42 8.049 8.938 -1.992 1.00 36.39 H new ATOM 2462 N LEU B 43 -0.205 13.156 0.693 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.463 12.569 1.138 1.00 3.51 C ATOM 2464 C LEU B 43 -1.811 11.342 0.302 1.00 5.56 C ATOM 2465 O LEU B 43 -1.752 11.372 -0.932 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.593 13.601 1.070 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.543 14.692 2.145 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.504 15.820 1.805 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -2.869 14.112 3.513 1.00 6.41 C ATOM 0 H LEU B 43 -0.306 13.877 -0.021 1.00 4.65 H new ATOM 0 HA LEU B 43 -1.344 12.255 2.175 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.571 14.077 0.090 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.546 13.079 1.149 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.531 15.096 2.175 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -3.455 16.586 2.579 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -3.228 16.256 0.845 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.519 15.428 1.746 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -2.828 14.902 4.262 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -3.869 13.679 3.496 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -2.143 13.338 3.762 1.00 6.41 H new ATOM 2481 N ILE B 44 -2.165 10.262 0.985 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.507 9.012 0.324 1.00 5.55 C ATOM 2483 C ILE B 44 -3.869 8.514 0.789 1.00 5.46 C ATOM 2484 O ILE B 44 -4.257 8.728 1.940 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.452 7.919 0.610 1.00 6.80 C ATOM 2486 CG1 ILE B 44 -0.043 8.514 0.603 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -1.549 6.788 -0.406 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.532 8.720 1.986 1.00 13.90 C ATOM 0 H ILE B 44 -2.223 10.228 2.003 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.533 9.210 -0.747 1.00 5.55 H new ATOM 0 HB ILE B 44 -1.654 7.510 1.600 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.618 7.856 0.038 1.00 10.31 H new ATOM 0 HG13 ILE B 44 -0.064 9.470 0.081 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -0.796 6.032 -0.182 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -2.541 6.338 -0.356 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -1.380 7.183 -1.408 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.533 9.145 1.904 1.00 13.90 H new ATOM 0 HD12 ILE B 44 -0.107 9.402 2.548 1.00 13.90 H new ATOM 0 HD13 ILE B 44 0.585 7.763 2.504 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.594 7.870 -0.114 1.00 6.75 N ATOM 2501 CA PHE B 45 -5.901 7.324 0.200 1.00 4.70 C ATOM 2502 C PHE B 45 -6.040 5.930 -0.399 1.00 6.34 C ATOM 2503 O PHE B 45 -6.486 5.778 -1.537 1.00 5.45 O ATOM 2504 CB PHE B 45 -7.008 8.241 -0.321 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.329 8.050 0.372 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.440 8.235 1.741 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.460 7.692 -0.345 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.654 8.069 2.381 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.676 7.524 0.290 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.773 7.713 1.655 1.00 6.84 C ATOM 0 H PHE B 45 -4.294 7.713 -1.076 1.00 6.75 H new ATOM 0 HA PHE B 45 -5.999 7.254 1.283 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.693 9.278 -0.204 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -7.140 8.066 -1.389 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.568 8.512 2.315 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.390 7.543 -1.412 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -9.727 8.218 3.448 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.550 7.245 -0.280 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.722 7.583 2.153 1.00 6.84 H new ATOM 2520 N ALA B 46 -5.618 4.927 0.369 1.00 6.53 N ATOM 2521 CA ALA B 46 -5.684 3.526 -0.045 1.00 7.15 C ATOM 2522 C ALA B 46 -4.808 3.257 -1.265 1.00 9.00 C ATOM 2523 O ALA B 46 -5.304 2.875 -2.328 1.00 11.15 O ATOM 2524 CB ALA B 46 -7.127 3.103 -0.307 1.00 8.99 C ATOM 0 H ALA B 46 -5.220 5.063 1.298 1.00 6.53 H new ATOM 0 HA ALA B 46 -5.295 2.924 0.776 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -7.150 2.057 -0.613 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -7.714 3.227 0.603 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -7.550 3.722 -1.098 1.00 8.99 H new ATOM 2530 N GLY B 47 -3.504 3.455 -1.097 1.00 9.35 N ATOM 2531 CA GLY B 47 -2.568 3.227 -2.184 1.00 11.68 C ATOM 2532 C GLY B 47 -2.804 4.145 -3.368 1.00 11.14 C ATOM 2533 O GLY B 47 -2.486 3.800 -4.507 1.00 13.93 O ATOM 0 H GLY B 47 -3.078 3.770 -0.225 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -1.551 3.369 -1.817 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -2.646 2.191 -2.513 1.00 11.68 H new ATOM 2537 N LYS B 48 -3.366 5.314 -3.100 1.00 10.47 N ATOM 2538 CA LYS B 48 -3.652 6.283 -4.144 1.00 8.82 C ATOM 2539 C LYS B 48 -3.164 7.663 -3.734 1.00 7.68 C ATOM 2540 O LYS B 48 -3.533 8.173 -2.674 1.00 6.47 O ATOM 2541 CB LYS B 48 -5.154 6.317 -4.435 1.00 9.74 C ATOM 2542 CG LYS B 48 -5.543 7.252 -5.573 1.00 14.14 C ATOM 2543 CD LYS B 48 -6.996 7.064 -5.977 1.00 16.32 C ATOM 2544 CE LYS B 48 -7.229 5.683 -6.571 1.00 20.04 C ATOM 2545 NZ LYS B 48 -8.593 5.537 -7.139 1.00 23.92 N ATOM 0 H LYS B 48 -3.634 5.614 -2.163 1.00 10.47 H new ATOM 0 HA LYS B 48 -3.126 5.984 -5.050 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -5.490 5.308 -4.676 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -5.682 6.622 -3.531 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -5.380 8.286 -5.268 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -4.899 7.068 -6.433 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -7.638 7.201 -5.107 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -7.276 7.827 -6.704 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -6.491 5.496 -7.351 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -7.076 4.928 -5.800 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -8.705 4.581 -7.532 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -9.299 5.689 -6.390 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -8.732 6.239 -7.893 1.00 23.92 H new ATOM 2559 N GLN B 49 -2.331 8.257 -4.571 1.00 8.89 N ATOM 2560 CA GLN B 49 -1.787 9.579 -4.302 1.00 7.18 C ATOM 2561 C GLN B 49 -2.795 10.650 -4.702 1.00 8.23 C ATOM 2562 O GLN B 49 -3.245 10.696 -5.848 1.00 9.70 O ATOM 2563 CB GLN B 49 -0.470 9.773 -5.057 1.00 11.67 C ATOM 2564 CG GLN B 49 0.665 10.302 -4.192 1.00 15.82 C ATOM 2565 CD GLN B 49 0.684 11.815 -4.103 1.00 20.21 C ATOM 2566 OE1 GLN B 49 1.289 12.490 -4.938 1.00 23.23 O ATOM 2567 NE2 GLN B 49 0.031 12.359 -3.089 1.00 20.67 N ATOM 0 H GLN B 49 -2.015 7.843 -5.448 1.00 8.89 H new ATOM 0 HA GLN B 49 -1.589 9.669 -3.234 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -0.168 8.820 -5.492 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -0.635 10.463 -5.884 1.00 11.67 H new ATOM 0 HG2 GLN B 49 0.575 9.885 -3.189 1.00 15.82 H new ATOM 0 HG3 GLN B 49 1.616 9.955 -4.597 1.00 15.82 H new ATOM 0 HE21 GLN B 49 -0.457 11.765 -2.419 1.00 20.67 H new ATOM 0 HE22 GLN B 49 0.016 13.373 -2.977 1.00 20.67 H new ATOM 2576 N LEU B 50 -3.148 11.500 -3.752 1.00 6.51 N ATOM 2577 CA LEU B 50 -4.113 12.561 -4.001 1.00 7.41 C ATOM 2578 C LEU B 50 -3.424 13.808 -4.539 1.00 8.27 C ATOM 2579 O LEU B 50 -2.433 14.272 -3.966 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.870 12.909 -2.714 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.393 11.716 -1.910 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -6.203 12.201 -0.717 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.230 10.800 -2.790 1.00 9.11 C ATOM 0 H LEU B 50 -2.781 11.477 -2.800 1.00 6.51 H new ATOM 0 HA LEU B 50 -4.820 12.201 -4.748 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -4.211 13.495 -2.073 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -5.714 13.548 -2.972 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.540 11.145 -1.542 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.570 11.343 -0.153 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -5.572 12.815 -0.074 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -7.049 12.793 -1.068 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -6.592 9.959 -2.199 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -7.079 11.355 -3.189 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -5.620 10.429 -3.613 1.00 9.11 H new ATOM 2595 N GLU B 51 -3.941 14.342 -5.640 1.00 9.43 N ATOM 2596 CA GLU B 51 -3.384 15.550 -6.237 1.00 11.90 C ATOM 2597 C GLU B 51 -3.754 16.765 -5.394 1.00 11.49 C ATOM 2598 O GLU B 51 -4.706 16.719 -4.617 1.00 9.88 O ATOM 2599 CB GLU B 51 -3.901 15.736 -7.659 1.00 16.56 C ATOM 2600 CG GLU B 51 -3.430 14.675 -8.637 1.00 26.06 C ATOM 2601 CD GLU B 51 -3.933 14.928 -10.041 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -5.120 14.647 -10.312 1.00 32.13 O ATOM 2603 OE2 GLU B 51 -3.147 15.420 -10.879 1.00 33.44 O ATOM 0 H GLU B 51 -4.745 13.958 -6.137 1.00 9.43 H new ATOM 0 HA GLU B 51 -2.299 15.448 -6.270 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -4.991 15.738 -7.640 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -3.587 16.714 -8.023 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -2.340 14.647 -8.643 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -3.772 13.696 -8.301 1.00 26.06 H new ATOM 2610 N ASP B 52 -3.019 17.852 -5.564 1.00 12.71 N ATOM 2611 CA ASP B 52 -3.260 19.071 -4.794 1.00 16.56 C ATOM 2612 C ASP B 52 -4.473 19.842 -5.303 1.00 15.83 C ATOM 2613 O ASP B 52 -5.302 20.302 -4.514 1.00 17.21 O ATOM 2614 CB ASP B 52 -2.031 19.982 -4.831 1.00 21.05 C ATOM 2615 CG ASP B 52 -0.997 19.615 -3.792 1.00 25.12 C ATOM 2616 OD1 ASP B 52 -0.174 18.714 -4.058 1.00 25.82 O ATOM 2617 OD2 ASP B 52 -0.993 20.229 -2.704 1.00 28.37 O ATOM 0 H ASP B 52 -2.248 17.919 -6.229 1.00 12.71 H new ATOM 0 HA ASP B 52 -3.460 18.761 -3.768 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -1.578 19.932 -5.821 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -2.345 21.014 -4.675 1.00 21.05 H new ATOM 2622 N GLY B 53 -4.584 19.970 -6.618 1.00 15.00 N ATOM 2623 CA GLY B 53 -5.687 20.712 -7.205 1.00 11.77 C ATOM 2624 C GLY B 53 -6.964 19.900 -7.343 1.00 11.10 C ATOM 2625 O GLY B 53 -7.694 20.048 -8.325 1.00 11.25 O ATOM 0 H GLY B 53 -3.929 19.573 -7.292 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.890 21.590 -6.592 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -5.388 21.073 -8.189 1.00 11.77 H new ATOM 2629 N ARG B 54 -7.243 19.050 -6.367 1.00 8.53 N ATOM 2630 CA ARG B 54 -8.446 18.228 -6.389 1.00 9.05 C ATOM 2631 C ARG B 54 -9.203 18.394 -5.083 1.00 8.96 C ATOM 2632 O ARG B 54 -8.674 18.954 -4.123 1.00 11.60 O ATOM 2633 CB ARG B 54 -8.103 16.750 -6.596 1.00 7.97 C ATOM 2634 CG ARG B 54 -7.212 16.477 -7.797 1.00 9.62 C ATOM 2635 CD ARG B 54 -7.900 16.814 -9.108 1.00 12.20 C ATOM 2636 NE ARG B 54 -6.979 16.720 -10.240 1.00 18.23 N ATOM 2637 CZ ARG B 54 -6.736 17.719 -11.091 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -7.317 18.901 -10.925 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -5.895 17.537 -12.102 1.00 23.38 N ATOM 0 H ARG B 54 -6.652 18.910 -5.547 1.00 8.53 H new ATOM 0 HA ARG B 54 -9.067 18.557 -7.222 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -7.610 16.375 -5.699 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -9.029 16.187 -6.710 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -6.296 17.061 -7.708 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -6.921 15.427 -7.800 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -8.739 16.136 -9.264 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -8.311 17.822 -9.055 1.00 12.20 H new ATOM 0 HE ARG B 54 -6.492 15.836 -10.388 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -7.954 19.051 -10.143 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -7.126 19.660 -11.580 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -5.436 16.635 -12.227 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -5.708 18.299 -12.753 1.00 23.38 H new ATOM 2653 N THR B 55 -10.432 17.917 -5.045 1.00 9.05 N ATOM 2654 CA THR B 55 -11.240 18.007 -3.845 1.00 9.03 C ATOM 2655 C THR B 55 -11.456 16.620 -3.251 1.00 8.15 C ATOM 2656 O THR B 55 -11.156 15.609 -3.893 1.00 5.91 O ATOM 2657 CB THR B 55 -12.605 18.670 -4.128 1.00 11.15 C ATOM 2658 OG1 THR B 55 -13.269 18.008 -5.214 1.00 11.95 O ATOM 2659 CG2 THR B 55 -12.430 20.146 -4.458 1.00 11.71 C ATOM 0 H THR B 55 -10.893 17.462 -5.833 1.00 9.05 H new ATOM 0 HA THR B 55 -10.702 18.630 -3.131 1.00 9.03 H new ATOM 0 HB THR B 55 -13.215 18.581 -3.229 1.00 11.15 H new ATOM 0 HG1 THR B 55 -12.665 17.956 -5.984 1.00 11.95 H new ATOM 0 HG21 THR B 55 -13.405 20.593 -4.654 1.00 11.71 H new ATOM 0 HG22 THR B 55 -11.960 20.654 -3.616 1.00 11.71 H new ATOM 0 HG23 THR B 55 -11.799 20.249 -5.341 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.971 16.575 -2.029 1.00 6.91 N ATOM 2668 CA LEU B 56 -12.230 15.309 -1.354 1.00 8.29 C ATOM 2669 C LEU B 56 -13.262 14.490 -2.124 1.00 8.05 C ATOM 2670 O LEU B 56 -13.143 13.268 -2.246 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.724 15.562 0.072 1.00 6.60 C ATOM 2672 CG LEU B 56 -11.731 16.278 0.990 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -12.329 16.471 2.371 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -10.428 15.502 1.084 1.00 8.64 C ATOM 0 H LEU B 56 -12.218 17.401 -1.484 1.00 6.91 H new ATOM 0 HA LEU B 56 -11.298 14.745 -1.314 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.639 16.152 0.023 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.986 14.605 0.523 1.00 6.60 H new ATOM 0 HG LEU B 56 -11.518 17.257 0.562 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -11.609 16.982 3.011 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -13.236 17.071 2.294 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -12.572 15.499 2.801 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -9.737 16.029 1.742 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -10.625 14.508 1.486 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.986 15.411 0.092 1.00 8.64 H new ATOM 2686 N SER B 57 -14.257 15.181 -2.663 1.00 8.92 N ATOM 2687 CA SER B 57 -15.324 14.544 -3.419 1.00 9.00 C ATOM 2688 C SER B 57 -14.799 13.871 -4.688 1.00 9.44 C ATOM 2689 O SER B 57 -15.357 12.868 -5.137 1.00 10.91 O ATOM 2690 CB SER B 57 -16.378 15.586 -3.770 1.00 10.32 C ATOM 2691 OG SER B 57 -16.673 16.396 -2.646 1.00 13.59 O ATOM 0 H SER B 57 -14.346 16.194 -2.589 1.00 8.92 H new ATOM 0 HA SER B 57 -15.765 13.763 -2.800 1.00 9.00 H new ATOM 0 HB2 SER B 57 -16.022 16.209 -4.590 1.00 10.32 H new ATOM 0 HB3 SER B 57 -17.285 15.091 -4.116 1.00 10.32 H new ATOM 0 HG SER B 57 -17.351 17.061 -2.890 1.00 13.59 H new ATOM 2697 N ASP B 58 -13.712 14.404 -5.245 1.00 9.11 N ATOM 2698 CA ASP B 58 -13.123 13.847 -6.466 1.00 7.91 C ATOM 2699 C ASP B 58 -12.699 12.400 -6.252 1.00 9.12 C ATOM 2700 O ASP B 58 -12.836 11.558 -7.141 1.00 8.61 O ATOM 2701 CB ASP B 58 -11.914 14.671 -6.920 1.00 8.41 C ATOM 2702 CG ASP B 58 -12.302 15.962 -7.614 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -13.032 15.909 -8.627 1.00 10.05 O ATOM 2704 OD2 ASP B 58 -11.866 17.037 -7.157 1.00 11.70 O ATOM 0 H ASP B 58 -13.222 15.218 -4.873 1.00 9.11 H new ATOM 0 HA ASP B 58 -13.887 13.884 -7.243 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -11.294 14.903 -6.054 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -11.306 14.070 -7.596 1.00 8.41 H new ATOM 2709 N TYR B 59 -12.206 12.109 -5.055 1.00 7.97 N ATOM 2710 CA TYR B 59 -11.756 10.764 -4.721 1.00 8.45 C ATOM 2711 C TYR B 59 -12.815 10.020 -3.910 1.00 10.98 C ATOM 2712 O TYR B 59 -12.544 8.958 -3.352 1.00 12.95 O ATOM 2713 CB TYR B 59 -10.439 10.821 -3.945 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.296 11.422 -4.731 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -8.555 10.649 -5.615 1.00 4.59 C ATOM 2716 CD2 TYR B 59 -8.953 12.761 -4.584 1.00 6.98 C ATOM 2717 CE1 TYR B 59 -7.507 11.191 -6.333 1.00 5.39 C ATOM 2718 CE2 TYR B 59 -7.907 13.310 -5.301 1.00 6.52 C ATOM 2719 CZ TYR B 59 -7.189 12.521 -6.171 1.00 6.76 C ATOM 2720 OH TYR B 59 -6.144 13.065 -6.882 1.00 7.63 O ATOM 0 H TYR B 59 -12.108 12.787 -4.299 1.00 7.97 H new ATOM 0 HA TYR B 59 -11.594 10.220 -5.651 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -10.588 11.403 -3.035 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -10.165 9.812 -3.637 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -8.802 9.606 -5.743 1.00 4.59 H new ATOM 0 HD2 TYR B 59 -9.512 13.381 -3.899 1.00 6.98 H new ATOM 0 HE1 TYR B 59 -6.941 10.576 -7.017 1.00 5.39 H new ATOM 0 HE2 TYR B 59 -7.654 14.353 -5.179 1.00 6.52 H new ATOM 0 HH TYR B 59 -6.051 12.595 -7.737 1.00 7.63 H new ATOM 2730 N ASN B 60 -14.016 10.595 -3.855 1.00 12.38 N ATOM 2731 CA ASN B 60 -15.146 10.007 -3.127 1.00 13.94 C ATOM 2732 C ASN B 60 -14.863 9.894 -1.633 1.00 14.16 C ATOM 2733 O ASN B 60 -15.370 8.992 -0.963 1.00 14.26 O ATOM 2734 CB ASN B 60 -15.514 8.629 -3.690 1.00 19.23 C ATOM 2735 CG ASN B 60 -16.254 8.716 -5.007 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -16.842 9.748 -5.338 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -16.238 7.634 -5.768 1.00 24.09 N ATOM 0 H ASN B 60 -14.235 11.480 -4.312 1.00 12.38 H new ATOM 0 HA ASN B 60 -15.991 10.682 -3.264 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -14.606 8.042 -3.826 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -16.131 8.098 -2.965 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -16.724 7.634 -6.665 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.740 6.800 -5.458 1.00 24.09 H new ATOM 2744 N ILE B 61 -14.070 10.818 -1.109 1.00 11.08 N ATOM 2745 CA ILE B 61 -13.740 10.816 0.307 1.00 11.78 C ATOM 2746 C ILE B 61 -14.930 11.321 1.115 1.00 13.74 C ATOM 2747 O ILE B 61 -15.252 12.510 1.094 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.493 11.679 0.601 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -11.297 11.162 -0.202 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -12.178 11.678 2.093 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -10.052 12.008 -0.055 1.00 11.42 C ATOM 0 H ILE B 61 -13.645 11.576 -1.642 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.510 9.791 0.599 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.700 12.706 0.299 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -11.072 10.143 0.114 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.571 11.116 -1.256 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -11.296 12.291 2.279 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -13.026 12.085 2.644 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -11.986 10.657 2.424 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -9.248 11.579 -0.653 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -10.258 13.022 -0.398 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.751 12.034 0.992 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.597 10.401 1.798 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.764 10.737 2.601 1.00 15.52 C ATOM 2765 C GLN B 62 -16.369 11.034 4.046 1.00 13.94 C ATOM 2766 O GLN B 62 -15.186 11.188 4.359 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.771 9.585 2.554 1.00 19.53 C ATOM 2768 CG GLN B 62 -18.331 9.323 1.164 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.388 7.845 0.825 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -19.352 7.153 1.158 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -17.363 7.353 0.147 1.00 32.71 N ATOM 0 H GLN B 62 -15.348 9.412 1.812 1.00 13.97 H new ATOM 0 HA GLN B 62 -17.222 11.635 2.187 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -17.290 8.678 2.920 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -18.595 9.805 3.233 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -19.333 9.746 1.095 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -17.716 9.837 0.426 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -16.584 7.959 -0.110 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -17.353 6.368 -0.118 1.00 32.71 H new ATOM 2780 N LYS B 63 -17.362 11.110 4.920 1.00 11.73 N ATOM 2781 CA LYS B 63 -17.136 11.392 6.332 1.00 11.97 C ATOM 2782 C LYS B 63 -16.436 10.227 7.031 1.00 10.41 C ATOM 2783 O LYS B 63 -16.545 9.075 6.603 1.00 9.59 O ATOM 2784 CB LYS B 63 -18.469 11.682 7.025 1.00 13.73 C ATOM 2785 CG LYS B 63 -19.401 10.482 7.069 1.00 16.98 C ATOM 2786 CD LYS B 63 -20.755 10.843 7.650 1.00 20.19 C ATOM 2787 CE LYS B 63 -21.560 9.597 7.988 1.00 23.42 C ATOM 2788 NZ LYS B 63 -22.933 9.930 8.440 1.00 25.97 N ATOM 0 H LYS B 63 -18.343 10.979 4.673 1.00 11.73 H new ATOM 0 HA LYS B 63 -16.488 12.266 6.399 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -18.275 12.019 8.043 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -18.968 12.501 6.508 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -19.531 10.086 6.062 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.948 9.691 7.667 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -20.619 11.446 8.548 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -21.308 11.454 6.937 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.613 8.951 7.112 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -21.047 9.035 8.768 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -23.448 9.054 8.660 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -22.883 10.526 9.291 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -23.432 10.444 7.686 1.00 25.97 H new ATOM 2802 N GLU B 64 -15.707 10.550 8.098 1.00 10.04 N ATOM 2803 CA GLU B 64 -14.987 9.565 8.905 1.00 10.94 C ATOM 2804 C GLU B 64 -13.951 8.789 8.089 1.00 9.74 C ATOM 2805 O GLU B 64 -13.591 7.665 8.438 1.00 9.42 O ATOM 2806 CB GLU B 64 -15.968 8.596 9.570 1.00 18.31 C ATOM 2807 CG GLU B 64 -16.709 9.195 10.754 1.00 24.16 C ATOM 2808 CD GLU B 64 -17.597 8.187 11.452 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -17.125 7.068 11.740 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -18.773 8.508 11.719 1.00 32.61 O ATOM 0 H GLU B 64 -15.598 11.509 8.429 1.00 10.04 H new ATOM 0 HA GLU B 64 -14.448 10.117 9.675 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -16.694 8.262 8.829 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -15.423 7.712 9.903 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -15.987 9.593 11.467 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -17.316 10.034 10.412 1.00 24.16 H new ATOM 2817 N SER B 65 -13.461 9.388 7.016 1.00 6.85 N ATOM 2818 CA SER B 65 -12.466 8.731 6.185 1.00 6.90 C ATOM 2819 C SER B 65 -11.068 8.920 6.761 1.00 4.72 C ATOM 2820 O SER B 65 -10.637 10.046 7.025 1.00 3.91 O ATOM 2821 CB SER B 65 -12.520 9.263 4.755 1.00 7.28 C ATOM 2822 OG SER B 65 -13.771 8.980 4.155 1.00 10.56 O ATOM 0 H SER B 65 -13.733 10.320 6.702 1.00 6.85 H new ATOM 0 HA SER B 65 -12.694 7.665 6.170 1.00 6.90 H new ATOM 0 HB2 SER B 65 -12.349 10.339 4.757 1.00 7.28 H new ATOM 0 HB3 SER B 65 -11.720 8.814 4.166 1.00 7.28 H new ATOM 0 HG SER B 65 -14.216 9.819 3.914 1.00 10.56 H new ATOM 2828 N THR B 66 -10.378 7.813 6.975 1.00 4.48 N ATOM 2829 CA THR B 66 -9.030 7.840 7.506 1.00 3.80 C ATOM 2830 C THR B 66 -8.016 8.030 6.383 1.00 4.60 C ATOM 2831 O THR B 66 -8.004 7.271 5.413 1.00 5.33 O ATOM 2832 CB THR B 66 -8.723 6.539 8.261 1.00 2.85 C ATOM 2833 OG1 THR B 66 -9.779 5.590 8.034 1.00 2.15 O ATOM 2834 CG2 THR B 66 -8.579 6.806 9.750 1.00 3.40 C ATOM 0 H THR B 66 -10.735 6.876 6.786 1.00 4.48 H new ATOM 0 HA THR B 66 -8.956 8.679 8.198 1.00 3.80 H new ATOM 0 HB THR B 66 -7.782 6.132 7.891 1.00 2.85 H new ATOM 0 HG1 THR B 66 -9.581 4.759 8.515 1.00 2.15 H new ATOM 0 HG21 THR B 66 -8.362 5.872 10.268 1.00 3.40 H new ATOM 0 HG22 THR B 66 -7.764 7.511 9.916 1.00 3.40 H new ATOM 0 HG23 THR B 66 -9.508 7.227 10.136 1.00 3.40 H new ATOM 2842 N LEU B 67 -7.186 9.052 6.507 1.00 4.17 N ATOM 2843 CA LEU B 67 -6.170 9.335 5.502 1.00 3.85 C ATOM 2844 C LEU B 67 -4.784 9.016 6.045 1.00 3.80 C ATOM 2845 O LEU B 67 -4.606 8.834 7.250 1.00 5.54 O ATOM 2846 CB LEU B 67 -6.234 10.803 5.063 1.00 7.18 C ATOM 2847 CG LEU B 67 -7.240 11.116 3.948 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.651 11.203 4.507 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -6.865 12.408 3.239 1.00 11.66 C ATOM 0 H LEU B 67 -7.194 9.701 7.294 1.00 4.17 H new ATOM 0 HA LEU B 67 -6.365 8.704 4.635 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -6.480 11.413 5.932 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -5.242 11.108 4.729 1.00 7.18 H new ATOM 0 HG LEU B 67 -7.210 10.304 3.222 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.349 11.426 3.700 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -8.919 10.252 4.967 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -8.698 11.994 5.256 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -7.590 12.614 2.451 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.864 13.229 3.956 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -5.872 12.308 2.801 1.00 11.66 H new ATOM 2861 N HIS B 68 -3.809 8.943 5.154 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.436 8.651 5.537 1.00 4.17 C ATOM 2863 C HIS B 68 -1.512 9.748 5.024 1.00 5.32 C ATOM 2864 O HIS B 68 -1.623 10.172 3.873 1.00 7.70 O ATOM 2865 CB HIS B 68 -2.014 7.282 4.990 1.00 5.57 C ATOM 2866 CG HIS B 68 -0.637 6.841 5.396 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -0.121 7.023 6.664 1.00 13.74 N ATOM 2868 CD2 HIS B 68 0.331 6.211 4.691 1.00 12.79 C ATOM 2869 CE1 HIS B 68 1.100 6.523 6.717 1.00 14.75 C ATOM 2870 NE2 HIS B 68 1.399 6.023 5.536 1.00 16.30 N ATOM 0 H HIS B 68 -3.944 9.083 4.153 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.366 8.619 6.624 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -2.733 6.535 5.325 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -2.066 7.309 3.902 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -0.607 7.474 7.439 1.00 13.74 H new ATOM 0 HD2 HIS B 68 0.275 5.911 3.655 1.00 12.79 H new ATOM 0 HE1 HIS B 68 1.745 6.524 7.583 1.00 14.75 H new ATOM 0 HE2 HIS B 68 2.279 5.570 5.289 1.00 16.30 H new ATOM 2879 N LEU B 69 -0.621 10.219 5.885 1.00 5.29 N ATOM 2880 CA LEU B 69 0.315 11.270 5.519 1.00 3.97 C ATOM 2881 C LEU B 69 1.752 10.766 5.598 1.00 5.07 C ATOM 2882 O LEU B 69 2.154 10.164 6.596 1.00 4.34 O ATOM 2883 CB LEU B 69 0.130 12.479 6.442 1.00 6.08 C ATOM 2884 CG LEU B 69 1.105 13.635 6.217 1.00 7.37 C ATOM 2885 CD1 LEU B 69 0.858 14.292 4.868 1.00 6.87 C ATOM 2886 CD2 LEU B 69 0.986 14.655 7.340 1.00 9.96 C ATOM 0 H LEU B 69 -0.527 9.888 6.845 1.00 5.29 H new ATOM 0 HA LEU B 69 0.113 11.570 4.491 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -0.886 12.855 6.320 1.00 6.08 H new ATOM 0 HB3 LEU B 69 0.224 12.143 7.475 1.00 6.08 H new ATOM 0 HG LEU B 69 2.119 13.235 6.219 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.562 15.112 4.728 1.00 6.87 H new ATOM 0 HD12 LEU B 69 0.995 13.557 4.075 1.00 6.87 H new ATOM 0 HD13 LEU B 69 -0.160 14.679 4.833 1.00 6.87 H new ATOM 0 HD21 LEU B 69 1.686 15.472 7.165 1.00 9.96 H new ATOM 0 HD22 LEU B 69 -0.030 15.048 7.368 1.00 9.96 H new ATOM 0 HD23 LEU B 69 1.216 14.177 8.292 1.00 9.96 H new ATOM 2898 N VAL B 70 2.508 10.997 4.532 1.00 4.29 N ATOM 2899 CA VAL B 70 3.907 10.591 4.460 1.00 6.26 C ATOM 2900 C VAL B 70 4.749 11.764 3.968 1.00 9.22 C ATOM 2901 O VAL B 70 4.273 12.575 3.179 1.00 9.36 O ATOM 2902 CB VAL B 70 4.099 9.378 3.512 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.572 9.079 3.273 1.00 9.76 C ATOM 2904 CG2 VAL B 70 3.403 8.151 4.069 1.00 8.54 C ATOM 0 H VAL B 70 2.170 11.470 3.694 1.00 4.29 H new ATOM 0 HA VAL B 70 4.227 10.291 5.458 1.00 6.26 H new ATOM 0 HB VAL B 70 3.650 9.639 2.554 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.666 8.223 2.604 1.00 9.76 H new ATOM 0 HG12 VAL B 70 6.051 9.947 2.820 1.00 9.76 H new ATOM 0 HG13 VAL B 70 6.056 8.852 4.223 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.549 7.311 3.390 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.822 7.906 5.045 1.00 8.54 H new ATOM 0 HG23 VAL B 70 2.337 8.353 4.173 1.00 8.54 H new ATOM 2914 N LEU B 71 5.978 11.874 4.449 1.00 12.71 N ATOM 2915 CA LEU B 71 6.858 12.956 4.033 1.00 16.06 C ATOM 2916 C LEU B 71 7.988 12.416 3.166 1.00 18.09 C ATOM 2917 O LEU B 71 7.988 11.239 2.795 1.00 19.26 O ATOM 2918 CB LEU B 71 7.434 13.683 5.249 1.00 17.10 C ATOM 2919 CG LEU B 71 6.412 14.117 6.301 1.00 19.37 C ATOM 2920 CD1 LEU B 71 7.107 14.813 7.461 1.00 17.51 C ATOM 2921 CD2 LEU B 71 5.357 15.029 5.689 1.00 19.57 C ATOM 0 H LEU B 71 6.388 11.230 5.125 1.00 12.71 H new ATOM 0 HA LEU B 71 6.272 13.666 3.449 1.00 16.06 H new ATOM 0 HB2 LEU B 71 8.167 13.032 5.726 1.00 17.10 H new ATOM 0 HB3 LEU B 71 7.970 14.566 4.902 1.00 17.10 H new ATOM 0 HG LEU B 71 5.913 13.225 6.679 1.00 19.37 H new ATOM 0 HD11 LEU B 71 6.366 15.115 8.201 1.00 17.51 H new ATOM 0 HD12 LEU B 71 7.820 14.129 7.921 1.00 17.51 H new ATOM 0 HD13 LEU B 71 7.634 15.694 7.094 1.00 17.51 H new ATOM 0 HD21 LEU B 71 4.642 15.324 6.457 1.00 19.57 H new ATOM 0 HD22 LEU B 71 5.837 15.918 5.280 1.00 19.57 H new ATOM 0 HD23 LEU B 71 4.836 14.499 4.892 1.00 19.57 H new ATOM 2933 N ARG B 72 8.939 13.274 2.832 1.00 21.47 N ATOM 2934 CA ARG B 72 10.078 12.879 2.016 1.00 25.83 C ATOM 2935 C ARG B 72 11.243 13.822 2.272 1.00 27.74 C ATOM 2936 O ARG B 72 11.040 14.999 2.565 1.00 30.65 O ATOM 2937 CB ARG B 72 9.702 12.890 0.531 1.00 28.49 C ATOM 2938 CG ARG B 72 10.674 12.125 -0.352 1.00 31.79 C ATOM 2939 CD ARG B 72 10.196 12.079 -1.794 1.00 34.05 C ATOM 2940 NE ARG B 72 11.100 11.318 -2.653 1.00 35.08 N ATOM 2941 CZ ARG B 72 10.906 11.132 -3.957 1.00 34.67 C ATOM 2942 NH1 ARG B 72 9.829 11.631 -4.552 1.00 34.97 N ATOM 2943 NH2 ARG B 72 11.788 10.440 -4.665 1.00 35.02 N ATOM 0 H ARG B 72 8.945 14.254 3.115 1.00 21.47 H new ATOM 0 HA ARG B 72 10.373 11.865 2.287 1.00 25.83 H new ATOM 0 HB2 ARG B 72 8.706 12.463 0.415 1.00 28.49 H new ATOM 0 HB3 ARG B 72 9.648 13.923 0.187 1.00 28.49 H new ATOM 0 HG2 ARG B 72 11.656 12.596 -0.308 1.00 31.79 H new ATOM 0 HG3 ARG B 72 10.790 11.110 0.027 1.00 31.79 H new ATOM 0 HD2 ARG B 72 9.202 11.633 -1.831 1.00 34.05 H new ATOM 0 HD3 ARG B 72 10.104 13.095 -2.177 1.00 34.05 H new ATOM 0 HE ARG B 72 11.930 10.904 -2.228 1.00 35.08 H new ATOM 0 HH11 ARG B 72 9.146 12.160 -4.010 1.00 34.97 H new ATOM 0 HH12 ARG B 72 9.685 11.486 -5.551 1.00 34.97 H new ATOM 0 HH21 ARG B 72 12.614 10.051 -4.211 1.00 35.02 H new ATOM 0 HH22 ARG B 72 11.640 10.297 -5.664 1.00 35.02 H new ATOM 2957 N LEU B 73 12.458 13.299 2.187 1.00 28.93 N ATOM 2958 CA LEU B 73 13.650 14.105 2.402 1.00 30.76 C ATOM 2959 C LEU B 73 14.141 14.682 1.082 1.00 32.18 C ATOM 2960 O LEU B 73 14.116 14.007 0.052 1.00 32.31 O ATOM 2961 CB LEU B 73 14.761 13.265 3.040 1.00 30.53 C ATOM 2962 CG LEU B 73 14.422 12.653 4.402 1.00 30.16 C ATOM 2963 CD1 LEU B 73 15.527 11.710 4.851 1.00 29.57 C ATOM 2964 CD2 LEU B 73 14.205 13.743 5.444 1.00 29.11 C ATOM 0 H LEU B 73 12.644 12.320 1.971 1.00 28.93 H new ATOM 0 HA LEU B 73 13.392 14.921 3.077 1.00 30.76 H new ATOM 0 HB2 LEU B 73 15.024 12.460 2.354 1.00 30.53 H new ATOM 0 HB3 LEU B 73 15.647 13.890 3.152 1.00 30.53 H new ATOM 0 HG LEU B 73 13.497 12.085 4.299 1.00 30.16 H new ATOM 0 HD11 LEU B 73 15.270 11.284 5.821 1.00 29.57 H new ATOM 0 HD12 LEU B 73 15.640 10.909 4.121 1.00 29.57 H new ATOM 0 HD13 LEU B 73 16.464 12.261 4.934 1.00 29.57 H new ATOM 0 HD21 LEU B 73 13.965 13.286 6.404 1.00 29.11 H new ATOM 0 HD22 LEU B 73 15.113 14.338 5.542 1.00 29.11 H new ATOM 0 HD23 LEU B 73 13.381 14.386 5.132 1.00 29.11 H new ATOM 2976 N ARG B 74 14.572 15.932 1.110 1.00 33.82 N ATOM 2977 CA ARG B 74 15.075 16.591 -0.088 1.00 35.33 C ATOM 2978 C ARG B 74 16.555 16.288 -0.280 1.00 36.22 C ATOM 2979 O ARG B 74 17.154 16.655 -1.290 1.00 36.70 O ATOM 2980 CB ARG B 74 14.847 18.099 -0.007 1.00 36.91 C ATOM 2981 CG ARG B 74 13.491 18.533 -0.534 1.00 38.62 C ATOM 2982 CD ARG B 74 13.442 18.457 -2.051 1.00 39.75 C ATOM 2983 NE ARG B 74 12.076 18.323 -2.554 1.00 41.13 N ATOM 2984 CZ ARG B 74 11.732 18.503 -3.829 1.00 41.91 C ATOM 2985 NH1 ARG B 74 12.654 18.828 -4.730 1.00 41.93 N ATOM 2986 NH2 ARG B 74 10.466 18.356 -4.204 1.00 42.75 N ATOM 0 H ARG B 74 14.584 16.513 1.949 1.00 33.82 H new ATOM 0 HA ARG B 74 14.527 16.205 -0.948 1.00 35.33 H new ATOM 0 HB2 ARG B 74 14.944 18.418 1.031 1.00 36.91 H new ATOM 0 HB3 ARG B 74 15.628 18.608 -0.572 1.00 36.91 H new ATOM 0 HG2 ARG B 74 12.713 17.898 -0.110 1.00 38.62 H new ATOM 0 HG3 ARG B 74 13.282 19.553 -0.211 1.00 38.62 H new ATOM 0 HD2 ARG B 74 13.896 19.354 -2.473 1.00 39.75 H new ATOM 0 HD3 ARG B 74 14.037 17.609 -2.390 1.00 39.75 H new ATOM 0 HE ARG B 74 11.342 18.077 -1.889 1.00 41.13 H new ATOM 0 HH11 ARG B 74 13.627 18.940 -4.446 1.00 41.93 H new ATOM 0 HH12 ARG B 74 12.388 18.965 -5.705 1.00 41.93 H new ATOM 0 HH21 ARG B 74 9.756 18.105 -3.516 1.00 42.75 H new ATOM 0 HH22 ARG B 74 10.204 18.494 -5.180 1.00 42.75 H new ATOM 3000 N GLY B 75 17.135 15.615 0.703 1.00 36.31 N ATOM 3001 CA GLY B 75 18.530 15.244 0.642 1.00 36.07 C ATOM 3002 C GLY B 75 18.778 13.939 1.365 1.00 36.16 C ATOM 3003 O GLY B 75 17.962 13.527 2.191 1.00 36.26 O ATOM 0 H GLY B 75 16.655 15.317 1.552 1.00 36.31 H new ATOM 0 HA2 GLY B 75 18.840 15.151 -0.399 1.00 36.07 H new ATOM 0 HA3 GLY B 75 19.139 16.031 1.087 1.00 36.07 H new ATOM 3007 N GLY B 76 19.886 13.284 1.061 1.00 36.05 N ATOM 3008 CA GLY B 76 20.198 12.029 1.709 1.00 36.19 C ATOM 3009 C GLY B 76 21.489 12.102 2.490 1.00 36.20 C ATOM 3010 O GLY B 76 22.527 11.642 1.970 1.00 0.00 O ATOM 3011 OXT GLY B 76 21.478 12.630 3.620 1.00 0.00 O ATOM 0 H GLY B 76 20.575 13.598 0.378 1.00 36.05 H new ATOM 0 HA2 GLY B 76 19.384 11.755 2.379 1.00 36.19 H new ATOM 0 HA3 GLY B 76 20.272 11.242 0.959 1.00 36.19 H new TER 3015 GLY B 76