USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1558 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 62 SER OG : rot -174:sc= 0.583 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0.513 USER MOD Set 2.1: B 51 ASN : amide:sc= -0.0025 K(o=-0.55,f=-3.4!) USER MOD Set 2.2: B 52 SER OG : rot -150:sc= -0.547 USER MOD Set 3.1: A 125 ASN : amide:sc= -0.133 K(o=0.68,f=-1.1) USER MOD Set 3.2: A 129 ASN : amide:sc= 0.812 K(o=0.68,f=-0.055) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 2.45 (180deg=1.89) USER MOD Single : A 31 MET CE :methyl -160:sc= 0 (180deg=-0.208) 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 -26:sc= 0.434 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 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=-0.72) USER MOD Single : A 51 GLN : amide:sc= 0.507 K(o=0.51,f=-0.37) USER MOD Single : A 52 THR OG1 : rot 113:sc= 1.27 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.897 K(o=0.9,f=-6.2!) USER MOD Single : A 60 CYS SG : rot -76:sc= 0.948 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -77:sc= 1.14 USER MOD Single : A 68 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.2!) USER MOD Single : A 80 CYS SG : rot 92:sc= -1.56! USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 1.33 (180deg=0.0145) USER MOD Single : A 87 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.18) USER MOD Single : A 88 CYS SG : rot -140:sc= -0.37 USER MOD Single : A 90 SER OG : rot -140:sc= -0.195 USER MOD Single : A 94 TYR OH : rot -135:sc= 1.27 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= 1.34 (180deg=0.971) USER MOD Single : A 102 SER OG : rot 42:sc= 0.328 USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0513 (180deg=-0.309) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.628 K(o=-0.63,f=-3.4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 116 GLN : amide:sc= -0.897 K(o=-0.9,f=-0.32) USER MOD Single : A 120 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.16) USER MOD Single : A 121 CYS SG : rot 51:sc= 0.864 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 163:sc= -0.0541 (180deg=-0.36) USER MOD Single : B 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0243) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 154:sc= 2.37 (180deg=0.753) USER MOD Single : B 39 THR OG1 : rot -168:sc= 0.568 USER MOD Single : B 41 LYS NZ :NH3+ -162:sc= -0.0356 (180deg=-0.283) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 SER OG : rot 180:sc= 0.144 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ -155:sc= 1.19 (180deg=1.11) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc=0.000577 USER MOD Single : B 68 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.84) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0049) USER MOD Single : B 82 LYS NZ :NH3+ -150:sc= 1.31 (180deg=0.111) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.21) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 97 THR OG1 : rot 40:sc= -0.27 USER MOD Single : B 99 HIS : no HE2:sc= -1.49 K(o=0.36,f=-8.3!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.592 21.490 7.425 1.00 0.79 N ATOM 2 CA LYS A 21 -12.785 20.624 7.291 1.00 0.63 C ATOM 3 C LYS A 21 -12.411 19.308 6.625 1.00 0.53 C ATOM 4 O LYS A 21 -11.374 19.209 5.971 1.00 0.61 O ATOM 5 CB LYS A 21 -13.868 21.329 6.465 1.00 0.62 C ATOM 6 CG LYS A 21 -13.459 21.604 5.026 1.00 0.66 C ATOM 7 CD LYS A 21 -14.617 22.145 4.205 1.00 0.77 C ATOM 8 CE LYS A 21 -14.966 23.570 4.597 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.110 24.097 3.808 1.00 1.10 N ATOM 0 HA LYS A 21 -13.174 20.421 8.289 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.769 20.716 6.466 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.123 22.273 6.947 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.637 22.320 5.012 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.089 20.685 4.571 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.359 22.111 3.146 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.489 21.506 4.341 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.210 23.605 5.659 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.097 24.211 4.449 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.317 25.072 4.105 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.868 24.088 2.797 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.947 23.501 3.969 1.00 1.10 H new ATOM 23 N TYR A 22 -13.252 18.300 6.795 1.00 0.49 N ATOM 24 CA TYR A 22 -13.002 17.000 6.194 1.00 0.49 C ATOM 25 C TYR A 22 -13.678 16.931 4.833 1.00 0.47 C ATOM 26 O TYR A 22 -14.792 17.429 4.663 1.00 0.57 O ATOM 27 CB TYR A 22 -13.527 15.859 7.079 1.00 0.56 C ATOM 28 CG TYR A 22 -13.441 16.114 8.567 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.254 16.520 9.167 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.556 15.936 9.374 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.187 16.740 10.532 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.496 16.154 10.732 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.313 16.554 11.309 1.00 0.65 C ATOM 34 OH TYR A 22 -13.258 16.769 12.669 1.00 0.75 O ATOM 0 H TYR A 22 -14.111 18.357 7.342 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.924 16.880 6.087 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.568 15.666 6.818 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.967 14.953 6.848 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.373 16.666 8.560 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.488 15.621 8.928 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.259 17.055 10.987 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.375 16.011 11.343 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.138 16.594 13.064 1.00 0.75 H new ATOM 44 N LEU A 23 -13.008 16.319 3.868 1.00 0.41 N ATOM 45 CA LEU A 23 -13.552 16.188 2.524 1.00 0.43 C ATOM 46 C LEU A 23 -14.734 15.226 2.537 1.00 0.43 C ATOM 47 O LEU A 23 -15.807 15.527 2.011 1.00 0.52 O ATOM 48 CB LEU A 23 -12.472 15.688 1.560 1.00 0.45 C ATOM 49 CG LEU A 23 -11.280 16.630 1.383 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.141 15.919 0.672 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.694 17.873 0.610 1.00 0.70 C ATOM 0 H LEU A 23 -12.084 15.904 3.991 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.894 17.165 2.183 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.106 14.725 1.916 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.928 15.515 0.585 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.934 16.936 2.370 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.301 16.604 0.555 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.826 15.057 1.260 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.477 15.585 -0.310 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.834 18.532 0.493 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.065 17.583 -0.373 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.480 18.395 1.155 1.00 0.70 H new ATOM 63 N VAL A 24 -14.521 14.072 3.155 1.00 0.42 N ATOM 64 CA VAL A 24 -15.550 13.045 3.270 1.00 0.46 C ATOM 65 C VAL A 24 -15.594 12.534 4.707 1.00 0.43 C ATOM 66 O VAL A 24 -14.547 12.269 5.296 1.00 0.44 O ATOM 67 CB VAL A 24 -15.278 11.853 2.317 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.323 10.761 2.488 1.00 0.70 C ATOM 69 CG2 VAL A 24 -15.232 12.313 0.870 1.00 0.76 C ATOM 0 H VAL A 24 -13.633 13.821 3.590 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.504 13.492 2.992 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.305 11.439 2.581 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.105 9.939 1.806 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.303 10.396 3.515 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.311 11.165 2.266 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -15.040 11.458 0.222 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -16.187 12.764 0.601 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.436 13.047 0.747 1.00 0.76 H new ATOM 79 N GLU A 25 -16.792 12.423 5.270 1.00 0.45 N ATOM 80 CA GLU A 25 -16.954 11.940 6.638 1.00 0.45 C ATOM 81 C GLU A 25 -18.276 11.188 6.791 1.00 0.47 C ATOM 82 O GLU A 25 -19.341 11.703 6.440 1.00 0.55 O ATOM 83 CB GLU A 25 -16.882 13.104 7.637 1.00 0.49 C ATOM 84 CG GLU A 25 -17.862 14.235 7.354 1.00 0.56 C ATOM 85 CD GLU A 25 -17.813 15.336 8.397 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.062 15.047 9.589 1.00 0.96 O ATOM 87 OE2 GLU A 25 -17.538 16.502 8.030 1.00 0.95 O ATOM 0 H GLU A 25 -17.666 12.661 4.801 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.138 11.251 6.853 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.069 12.719 8.639 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -15.869 13.507 7.635 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.645 14.660 6.374 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.873 13.830 7.308 1.00 0.56 H new ATOM 94 N PHE A 26 -18.201 9.966 7.302 1.00 0.43 N ATOM 95 CA PHE A 26 -19.390 9.146 7.511 1.00 0.46 C ATOM 96 C PHE A 26 -19.192 8.221 8.708 1.00 0.45 C ATOM 97 O PHE A 26 -18.069 8.033 9.173 1.00 0.44 O ATOM 98 CB PHE A 26 -19.733 8.331 6.253 1.00 0.47 C ATOM 99 CG PHE A 26 -18.605 7.486 5.728 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.416 6.189 6.185 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.737 7.986 4.773 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.384 5.411 5.696 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.703 7.212 4.283 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.526 5.924 4.746 1.00 0.51 C ATOM 0 H PHE A 26 -17.328 9.519 7.580 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.227 9.813 7.716 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.581 7.684 6.475 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.052 9.016 5.468 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -19.083 5.783 6.931 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.870 8.993 4.407 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -17.249 4.402 6.057 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -16.033 7.615 3.538 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.717 5.319 4.365 1.00 0.51 H new ATOM 114 N ARG A 27 -20.278 7.655 9.207 1.00 0.47 N ATOM 115 CA ARG A 27 -20.208 6.760 10.351 1.00 0.47 C ATOM 116 C ARG A 27 -19.894 5.337 9.906 1.00 0.45 C ATOM 117 O ARG A 27 -20.580 4.773 9.048 1.00 0.46 O ATOM 118 CB ARG A 27 -21.526 6.790 11.123 1.00 0.51 C ATOM 119 CG ARG A 27 -21.785 8.111 11.833 1.00 0.55 C ATOM 120 CD ARG A 27 -23.256 8.282 12.168 1.00 0.61 C ATOM 121 NE ARG A 27 -24.075 8.446 10.968 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.302 8.962 10.969 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.850 9.378 12.105 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.983 9.056 9.836 1.00 0.77 N ATOM 0 H ARG A 27 -21.218 7.799 8.839 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.405 7.101 11.004 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.346 6.591 10.433 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.525 5.986 11.859 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.195 8.156 12.748 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.456 8.936 11.201 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.604 7.414 12.728 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.382 9.150 12.815 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.682 8.147 10.076 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.330 9.302 12.980 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.790 9.773 12.103 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.567 8.733 8.963 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.923 9.451 9.837 1.00 0.77 H new ATOM 138 N ALA A 28 -18.850 4.766 10.486 1.00 0.44 N ATOM 139 CA ALA A 28 -18.435 3.414 10.159 1.00 0.43 C ATOM 140 C ALA A 28 -17.638 2.808 11.302 1.00 0.42 C ATOM 141 O ALA A 28 -16.868 3.502 11.975 1.00 0.44 O ATOM 142 CB ALA A 28 -17.612 3.399 8.879 1.00 0.42 C ATOM 0 H ALA A 28 -18.272 5.223 11.191 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.331 2.813 10.002 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.311 2.376 8.652 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.210 3.792 8.057 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.724 4.018 9.010 1.00 0.42 H new ATOM 148 N GLY A 29 -17.832 1.520 11.522 1.00 0.43 N ATOM 149 CA GLY A 29 -17.126 0.837 12.581 1.00 0.43 C ATOM 150 C GLY A 29 -15.792 0.310 12.111 1.00 0.41 C ATOM 151 O GLY A 29 -15.594 0.091 10.916 1.00 0.46 O ATOM 0 H GLY A 29 -18.469 0.933 10.983 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.974 1.520 13.417 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.734 0.011 12.951 1.00 0.43 H new ATOM 155 N LYS A 30 -14.878 0.098 13.043 1.00 0.42 N ATOM 156 CA LYS A 30 -13.553 -0.396 12.704 1.00 0.42 C ATOM 157 C LYS A 30 -13.405 -1.870 13.063 1.00 0.41 C ATOM 158 O LYS A 30 -14.283 -2.460 13.702 1.00 0.45 O ATOM 159 CB LYS A 30 -12.480 0.429 13.423 1.00 0.48 C ATOM 160 CG LYS A 30 -12.535 0.322 14.941 1.00 0.54 C ATOM 161 CD LYS A 30 -11.552 1.273 15.605 1.00 0.67 C ATOM 162 CE LYS A 30 -10.116 0.786 15.475 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.146 1.816 15.923 1.00 0.60 N ATOM 0 H LYS A 30 -15.028 0.260 14.039 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.422 -0.294 11.627 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.497 0.106 13.081 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.588 1.475 13.138 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.545 0.543 15.286 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.312 -0.701 15.243 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.642 2.261 15.155 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.805 1.379 16.660 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -9.984 -0.120 16.066 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.914 0.522 14.437 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.222 1.371 16.096 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -9.047 2.544 15.187 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.488 2.256 16.801 1.00 0.60 H new ATOM 177 N MET A 31 -12.295 -2.455 12.635 1.00 0.43 N ATOM 178 CA MET A 31 -11.990 -3.853 12.909 1.00 0.44 C ATOM 179 C MET A 31 -10.632 -3.958 13.590 1.00 0.46 C ATOM 180 O MET A 31 -9.710 -3.212 13.262 1.00 0.55 O ATOM 181 CB MET A 31 -11.989 -4.669 11.616 1.00 0.46 C ATOM 182 CG MET A 31 -13.372 -5.108 11.161 1.00 0.47 C ATOM 183 SD MET A 31 -13.578 -6.900 11.205 1.00 0.54 S ATOM 184 CE MET A 31 -15.072 -7.091 10.235 1.00 0.61 C ATOM 0 H MET A 31 -11.581 -1.974 12.088 1.00 0.43 H new ATOM 0 HA MET A 31 -12.759 -4.255 13.569 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.528 -4.077 10.825 1.00 0.46 H new ATOM 0 HB3 MET A 31 -11.366 -5.553 11.756 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.125 -4.643 11.798 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.548 -4.750 10.146 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.527 -8.057 10.454 1.00 0.61 H new ATOM 0 HE2 MET A 31 -15.773 -6.295 10.486 1.00 0.61 H new ATOM 0 HE3 MET A 31 -14.826 -7.038 9.174 1.00 0.61 H new ATOM 194 N SER A 32 -10.513 -4.869 14.540 1.00 0.49 N ATOM 195 CA SER A 32 -9.265 -5.055 15.262 1.00 0.52 C ATOM 196 C SER A 32 -8.754 -6.485 15.112 1.00 0.52 C ATOM 197 O SER A 32 -9.508 -7.451 15.268 1.00 0.54 O ATOM 198 CB SER A 32 -9.468 -4.710 16.738 1.00 0.59 C ATOM 199 OG SER A 32 -10.072 -3.435 16.872 1.00 0.93 O ATOM 0 H SER A 32 -11.266 -5.493 14.830 1.00 0.49 H new ATOM 0 HA SER A 32 -8.514 -4.388 14.839 1.00 0.52 H new ATOM 0 HB2 SER A 32 -10.094 -5.467 17.212 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.509 -4.720 17.255 1.00 0.59 H new ATOM 0 HG SER A 32 -10.196 -3.230 17.822 1.00 0.93 H new ATOM 205 N LEU A 33 -7.473 -6.612 14.792 1.00 0.54 N ATOM 206 CA LEU A 33 -6.850 -7.913 14.622 1.00 0.56 C ATOM 207 C LEU A 33 -6.395 -8.467 15.970 1.00 0.58 C ATOM 208 O LEU A 33 -5.387 -8.030 16.530 1.00 0.63 O ATOM 209 CB LEU A 33 -5.659 -7.808 13.669 1.00 0.58 C ATOM 210 CG LEU A 33 -4.884 -9.108 13.447 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.709 -10.095 12.639 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.565 -8.822 12.754 1.00 0.67 C ATOM 0 H LEU A 33 -6.844 -5.823 14.645 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.585 -8.595 14.195 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.017 -7.448 12.704 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.971 -7.055 14.055 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.676 -9.556 14.419 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.139 -11.012 12.493 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.631 -10.322 13.174 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -5.950 -9.660 11.669 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.024 -9.756 12.602 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.755 -8.352 11.789 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.967 -8.152 13.372 1.00 0.67 H new ATOM 224 N LYS A 34 -7.146 -9.423 16.487 1.00 0.59 N ATOM 225 CA LYS A 34 -6.824 -10.038 17.765 1.00 0.63 C ATOM 226 C LYS A 34 -6.187 -11.395 17.533 1.00 0.65 C ATOM 227 O LYS A 34 -6.847 -12.328 17.073 1.00 0.68 O ATOM 228 CB LYS A 34 -8.079 -10.181 18.626 1.00 0.66 C ATOM 229 CG LYS A 34 -8.787 -8.861 18.887 1.00 0.68 C ATOM 230 CD LYS A 34 -9.936 -9.030 19.866 1.00 0.76 C ATOM 231 CE LYS A 34 -10.779 -7.771 19.964 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.909 -7.930 20.915 1.00 1.01 N ATOM 0 H LYS A 34 -7.986 -9.792 16.041 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.119 -9.398 18.295 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.771 -10.865 18.135 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.807 -10.633 19.580 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.075 -8.137 19.282 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.164 -8.457 17.947 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.563 -9.864 19.551 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.541 -9.282 20.850 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.152 -6.939 20.283 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.168 -7.518 18.978 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.459 -7.048 20.952 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.523 -8.707 20.598 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.538 -8.146 21.862 1.00 1.01 H new ATOM 246 N GLY A 35 -4.898 -11.498 17.837 1.00 0.66 N ATOM 247 CA GLY A 35 -4.178 -12.740 17.635 1.00 0.70 C ATOM 248 C GLY A 35 -3.957 -13.015 16.160 1.00 0.70 C ATOM 249 O GLY A 35 -2.892 -12.729 15.615 1.00 0.75 O ATOM 0 H GLY A 35 -4.337 -10.738 18.222 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.217 -12.693 18.146 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.736 -13.563 18.081 1.00 0.70 H new ATOM 253 N THR A 36 -4.980 -13.558 15.516 1.00 0.68 N ATOM 254 CA THR A 36 -4.928 -13.860 14.097 1.00 0.70 C ATOM 255 C THR A 36 -6.321 -13.720 13.480 1.00 0.68 C ATOM 256 O THR A 36 -6.499 -13.886 12.272 1.00 0.72 O ATOM 257 CB THR A 36 -4.379 -15.282 13.837 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.171 -15.485 12.429 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.330 -16.343 14.373 1.00 0.77 C ATOM 0 H THR A 36 -5.865 -13.800 15.962 1.00 0.68 H new ATOM 0 HA THR A 36 -4.248 -13.147 13.630 1.00 0.70 H new ATOM 0 HB THR A 36 -3.427 -15.375 14.360 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.771 -14.899 11.922 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.919 -17.333 14.176 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.456 -16.209 15.447 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.297 -16.247 13.880 1.00 0.77 H new ATOM 267 N THR A 37 -7.301 -13.394 14.311 1.00 0.66 N ATOM 268 CA THR A 37 -8.669 -13.242 13.850 1.00 0.66 C ATOM 269 C THR A 37 -9.081 -11.775 13.850 1.00 0.61 C ATOM 270 O THR A 37 -8.858 -11.058 14.828 1.00 0.61 O ATOM 271 CB THR A 37 -9.642 -14.041 14.735 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.062 -15.309 15.071 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.970 -14.262 14.025 1.00 0.81 C ATOM 0 H THR A 37 -7.171 -13.230 15.309 1.00 0.66 H new ATOM 0 HA THR A 37 -8.714 -13.628 12.832 1.00 0.66 H new ATOM 0 HB THR A 37 -9.827 -13.467 15.643 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.684 -15.814 15.636 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.639 -14.829 14.673 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.422 -13.298 13.791 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.801 -14.817 13.102 1.00 0.81 H new ATOM 281 N VAL A 38 -9.663 -11.333 12.746 1.00 0.60 N ATOM 282 CA VAL A 38 -10.119 -9.960 12.624 1.00 0.57 C ATOM 283 C VAL A 38 -11.514 -9.833 13.218 1.00 0.57 C ATOM 284 O VAL A 38 -12.474 -10.409 12.701 1.00 0.64 O ATOM 285 CB VAL A 38 -10.141 -9.488 11.155 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.248 -7.976 11.086 1.00 0.59 C ATOM 287 CG2 VAL A 38 -8.904 -9.967 10.411 1.00 0.61 C ATOM 0 H VAL A 38 -9.830 -11.908 11.920 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.417 -9.327 13.167 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.016 -9.922 10.672 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.262 -7.659 10.043 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.167 -7.654 11.576 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -9.392 -7.527 11.590 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -8.944 -9.621 9.378 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.012 -9.567 10.893 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.868 -11.056 10.428 1.00 0.61 H new ATOM 297 N THR A 39 -11.616 -9.110 14.319 1.00 0.56 N ATOM 298 CA THR A 39 -12.889 -8.921 14.990 1.00 0.58 C ATOM 299 C THR A 39 -13.303 -7.452 14.971 1.00 0.55 C ATOM 300 O THR A 39 -12.512 -6.570 15.315 1.00 0.55 O ATOM 301 CB THR A 39 -12.820 -9.419 16.449 1.00 0.64 C ATOM 302 OG1 THR A 39 -12.280 -10.749 16.484 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.197 -9.412 17.099 1.00 0.74 C ATOM 0 H THR A 39 -10.829 -8.642 14.769 1.00 0.56 H new ATOM 0 HA THR A 39 -13.635 -9.505 14.451 1.00 0.58 H new ATOM 0 HB THR A 39 -12.173 -8.742 17.007 1.00 0.64 H new ATOM 0 HG1 THR A 39 -12.237 -11.060 17.412 1.00 0.67 H new ATOM 0 HG21 THR A 39 -14.116 -9.768 18.126 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.595 -8.397 17.097 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.867 -10.066 16.540 1.00 0.74 H new ATOM 311 N PRO A 40 -14.540 -7.167 14.541 1.00 0.55 N ATOM 312 CA PRO A 40 -15.057 -5.801 14.489 1.00 0.54 C ATOM 313 C PRO A 40 -15.281 -5.211 15.878 1.00 0.56 C ATOM 314 O PRO A 40 -15.473 -5.941 16.854 1.00 0.63 O ATOM 315 CB PRO A 40 -16.388 -5.947 13.748 1.00 0.56 C ATOM 316 CG PRO A 40 -16.798 -7.365 13.947 1.00 0.65 C ATOM 317 CD PRO A 40 -15.524 -8.156 14.055 1.00 0.58 C ATOM 0 HA PRO A 40 -14.357 -5.122 14.002 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.137 -5.262 14.146 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.275 -5.715 12.689 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.402 -7.473 14.848 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -17.405 -7.716 13.113 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.628 -8.991 14.748 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.229 -8.575 13.093 1.00 0.58 H new ATOM 325 N ASP A 41 -15.234 -3.891 15.966 1.00 0.53 N ATOM 326 CA ASP A 41 -15.448 -3.200 17.229 1.00 0.56 C ATOM 327 C ASP A 41 -16.949 -3.065 17.473 1.00 0.58 C ATOM 328 O ASP A 41 -17.752 -3.391 16.602 1.00 0.66 O ATOM 329 CB ASP A 41 -14.796 -1.815 17.199 1.00 0.57 C ATOM 330 CG ASP A 41 -14.394 -1.318 18.573 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.288 -1.010 19.391 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.177 -1.220 18.841 1.00 0.68 O ATOM 0 H ASP A 41 -15.049 -3.274 15.175 1.00 0.53 H new ATOM 0 HA ASP A 41 -14.993 -3.775 18.036 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.914 -1.849 16.559 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.489 -1.103 16.750 1.00 0.57 H new ATOM 337 N LYS A 42 -17.328 -2.586 18.645 1.00 0.61 N ATOM 338 CA LYS A 42 -18.736 -2.406 18.980 1.00 0.64 C ATOM 339 C LYS A 42 -19.040 -0.926 19.173 1.00 0.64 C ATOM 340 O LYS A 42 -20.187 -0.535 19.399 1.00 0.76 O ATOM 341 CB LYS A 42 -19.100 -3.188 20.243 1.00 0.71 C ATOM 342 CG LYS A 42 -19.203 -4.687 20.020 1.00 0.72 C ATOM 343 CD LYS A 42 -19.773 -5.389 21.241 1.00 0.84 C ATOM 344 CE LYS A 42 -20.093 -6.849 20.956 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.868 -7.687 20.867 1.00 1.08 N ATOM 0 H LYS A 42 -16.681 -2.313 19.385 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.338 -2.790 18.156 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.350 -2.994 21.010 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.051 -2.820 20.627 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.836 -4.885 19.155 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.217 -5.092 19.793 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.059 -5.327 22.062 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.678 -4.875 21.566 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.740 -7.237 21.743 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -20.649 -6.921 20.021 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -19.135 -8.673 20.672 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.261 -7.334 20.100 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.350 -7.641 21.767 1.00 1.08 H new ATOM 359 N ARG A 43 -18.001 -0.110 19.071 1.00 0.58 N ATOM 360 CA ARG A 43 -18.132 1.329 19.236 1.00 0.58 C ATOM 361 C ARG A 43 -18.602 1.997 17.956 1.00 0.55 C ATOM 362 O ARG A 43 -18.729 1.357 16.910 1.00 0.55 O ATOM 363 CB ARG A 43 -16.796 1.931 19.653 1.00 0.58 C ATOM 364 CG ARG A 43 -16.491 1.772 21.127 1.00 0.60 C ATOM 365 CD ARG A 43 -15.063 2.161 21.425 1.00 0.60 C ATOM 366 NE ARG A 43 -14.117 1.464 20.557 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.067 2.047 19.992 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.831 3.334 20.196 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.252 1.341 19.220 1.00 0.57 N ATOM 0 H ARG A 43 -17.051 -0.424 18.873 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.878 1.504 20.011 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.000 1.463 19.074 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.791 2.992 19.402 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.171 2.391 21.712 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.661 0.739 21.429 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.946 3.237 21.299 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.835 1.935 22.467 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.272 0.473 20.375 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.457 3.880 20.789 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.023 3.780 19.761 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.432 0.350 19.060 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.445 1.789 18.786 1.00 0.57 H new ATOM 383 N LYS A 44 -18.851 3.286 18.051 1.00 0.57 N ATOM 384 CA LYS A 44 -19.293 4.071 16.916 1.00 0.56 C ATOM 385 C LYS A 44 -18.198 5.055 16.541 1.00 0.53 C ATOM 386 O LYS A 44 -17.741 5.828 17.380 1.00 0.59 O ATOM 387 CB LYS A 44 -20.588 4.808 17.252 1.00 0.62 C ATOM 388 CG LYS A 44 -21.726 3.883 17.645 1.00 0.70 C ATOM 389 CD LYS A 44 -22.978 4.664 18.007 1.00 0.79 C ATOM 390 CE LYS A 44 -24.086 3.743 18.484 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.359 4.476 18.721 1.00 1.07 N ATOM 0 H LYS A 44 -18.753 3.819 18.915 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.492 3.413 16.070 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.399 5.505 18.068 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -20.893 5.401 16.390 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -21.945 3.204 16.821 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.421 3.269 18.492 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.744 5.389 18.787 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.320 5.229 17.140 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.251 2.961 17.743 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.775 3.249 19.405 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.088 3.809 19.045 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.209 5.206 19.447 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.670 4.926 17.837 1.00 1.07 H new ATOM 405 N GLY A 45 -17.775 5.029 15.292 1.00 0.52 N ATOM 406 CA GLY A 45 -16.717 5.917 14.874 1.00 0.51 C ATOM 407 C GLY A 45 -17.047 6.679 13.619 1.00 0.48 C ATOM 408 O GLY A 45 -17.989 6.340 12.897 1.00 0.50 O ATOM 0 H GLY A 45 -18.141 4.415 14.565 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.506 6.624 15.676 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -15.808 5.338 14.712 1.00 0.51 H new ATOM 412 N LEU A 46 -16.267 7.713 13.363 1.00 0.46 N ATOM 413 CA LEU A 46 -16.453 8.540 12.193 1.00 0.45 C ATOM 414 C LEU A 46 -15.240 8.431 11.279 1.00 0.41 C ATOM 415 O LEU A 46 -14.121 8.767 11.674 1.00 0.42 O ATOM 416 CB LEU A 46 -16.672 10.003 12.593 1.00 0.47 C ATOM 417 CG LEU A 46 -16.962 10.954 11.430 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.424 10.855 11.002 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.598 12.386 11.810 1.00 0.59 C ATOM 0 H LEU A 46 -15.491 7.999 13.960 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.337 8.189 11.661 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.502 10.051 13.298 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.786 10.357 13.120 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.345 10.660 10.581 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.608 11.540 10.174 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.642 9.835 10.685 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.067 11.119 11.841 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.810 13.050 10.972 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.186 12.694 12.675 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.537 12.439 12.055 1.00 0.59 H new ATOM 431 N VAL A 47 -15.461 7.925 10.076 1.00 0.40 N ATOM 432 CA VAL A 47 -14.402 7.797 9.093 1.00 0.39 C ATOM 433 C VAL A 47 -14.360 9.068 8.265 1.00 0.37 C ATOM 434 O VAL A 47 -15.305 9.368 7.530 1.00 0.40 O ATOM 435 CB VAL A 47 -14.622 6.577 8.171 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.620 6.575 7.026 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.522 5.283 8.966 1.00 0.43 C ATOM 0 H VAL A 47 -16.372 7.595 9.757 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.456 7.645 9.613 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.624 6.648 7.747 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.795 5.707 6.391 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.738 7.485 6.437 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.608 6.532 7.428 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.680 4.434 8.301 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.533 5.210 9.419 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.281 5.277 9.748 1.00 0.43 H new ATOM 447 N TYR A 48 -13.291 9.829 8.404 1.00 0.37 N ATOM 448 CA TYR A 48 -13.174 11.074 7.676 1.00 0.37 C ATOM 449 C TYR A 48 -11.799 11.233 7.049 1.00 0.34 C ATOM 450 O TYR A 48 -10.797 10.728 7.558 1.00 0.36 O ATOM 451 CB TYR A 48 -13.476 12.264 8.594 1.00 0.43 C ATOM 452 CG TYR A 48 -12.539 12.395 9.777 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.812 11.752 10.977 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.385 13.168 9.695 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.965 11.875 12.058 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.534 13.293 10.774 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.829 12.645 11.952 1.00 0.64 C ATOM 458 OH TYR A 48 -9.985 12.769 13.030 1.00 0.78 O ATOM 0 H TYR A 48 -12.500 9.609 9.008 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.907 11.050 6.870 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.431 13.181 8.007 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.497 12.172 8.963 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -13.702 11.146 11.065 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.152 13.678 8.772 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -12.192 11.369 12.985 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.641 13.896 10.695 1.00 0.54 H new ATOM 0 HH TYR A 48 -9.230 13.345 12.790 1.00 0.78 H new ATOM 468 N ILE A 49 -11.780 11.935 5.929 1.00 0.33 N ATOM 469 CA ILE A 49 -10.560 12.218 5.198 1.00 0.32 C ATOM 470 C ILE A 49 -10.297 13.718 5.249 1.00 0.30 C ATOM 471 O ILE A 49 -11.134 14.516 4.819 1.00 0.35 O ATOM 472 CB ILE A 49 -10.652 11.738 3.729 1.00 0.37 C ATOM 473 CG1 ILE A 49 -10.666 10.207 3.671 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.493 12.286 2.906 1.00 0.41 C ATOM 475 CD1 ILE A 49 -12.053 9.601 3.751 1.00 0.69 C ATOM 0 H ILE A 49 -12.618 12.327 5.499 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.737 11.676 5.663 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.582 12.116 3.304 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.192 9.884 2.744 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -10.062 9.817 4.490 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.579 11.935 1.878 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.519 13.376 2.921 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.550 11.940 3.330 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.979 8.515 3.704 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.524 9.892 4.690 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -12.656 9.960 2.917 1.00 0.69 H new ATOM 487 N GLN A 50 -9.153 14.096 5.791 1.00 0.30 N ATOM 488 CA GLN A 50 -8.800 15.501 5.930 1.00 0.33 C ATOM 489 C GLN A 50 -7.468 15.803 5.250 1.00 0.30 C ATOM 490 O GLN A 50 -6.611 14.929 5.137 1.00 0.36 O ATOM 491 CB GLN A 50 -8.733 15.842 7.418 1.00 0.42 C ATOM 492 CG GLN A 50 -8.413 17.295 7.717 1.00 0.51 C ATOM 493 CD GLN A 50 -8.436 17.586 9.203 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.216 16.698 10.024 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.701 18.829 9.556 1.00 0.86 N ATOM 0 H GLN A 50 -8.449 13.448 6.144 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.559 16.114 5.443 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.689 15.591 7.879 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.978 15.213 7.888 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.430 17.540 7.315 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.134 17.937 7.211 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.878 19.535 8.842 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.729 19.084 10.543 1.00 0.86 H new ATOM 504 N GLN A 51 -7.303 17.036 4.789 1.00 0.37 N ATOM 505 CA GLN A 51 -6.073 17.449 4.136 1.00 0.37 C ATOM 506 C GLN A 51 -5.378 18.520 4.972 1.00 0.39 C ATOM 507 O GLN A 51 -5.974 19.549 5.299 1.00 0.51 O ATOM 508 CB GLN A 51 -6.366 17.982 2.733 1.00 0.44 C ATOM 509 CG GLN A 51 -5.133 18.074 1.853 1.00 0.52 C ATOM 510 CD GLN A 51 -5.453 18.501 0.437 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.379 19.275 0.199 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.690 17.994 -0.517 1.00 0.93 N ATOM 0 H GLN A 51 -8.010 17.768 4.857 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.415 16.585 4.046 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.099 17.334 2.252 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.819 18.970 2.815 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.431 18.784 2.292 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.635 17.105 1.831 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.932 17.355 -0.278 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.860 18.242 -1.492 1.00 0.93 H new ATOM 521 N THR A 52 -4.126 18.276 5.324 1.00 0.38 N ATOM 522 CA THR A 52 -3.359 19.212 6.132 1.00 0.45 C ATOM 523 C THR A 52 -2.778 20.345 5.284 1.00 0.36 C ATOM 524 O THR A 52 -3.019 20.418 4.077 1.00 0.33 O ATOM 525 CB THR A 52 -2.235 18.473 6.874 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.846 17.315 6.121 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.693 18.044 8.259 1.00 0.80 C ATOM 0 H THR A 52 -3.616 17.432 5.061 1.00 0.38 H new ATOM 0 HA THR A 52 -4.037 19.658 6.860 1.00 0.45 H new ATOM 0 HB THR A 52 -1.387 19.150 6.982 1.00 0.59 H new ATOM 0 HG1 THR A 52 -0.932 17.434 5.787 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.881 17.523 8.766 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.976 18.924 8.837 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.551 17.378 8.168 1.00 0.80 H new ATOM 535 N ASP A 53 -2.009 21.226 5.922 1.00 0.40 N ATOM 536 CA ASP A 53 -1.406 22.374 5.240 1.00 0.41 C ATOM 537 C ASP A 53 -0.329 21.948 4.249 1.00 0.39 C ATOM 538 O ASP A 53 0.026 22.706 3.351 1.00 0.52 O ATOM 539 CB ASP A 53 -0.811 23.356 6.256 1.00 0.52 C ATOM 540 CG ASP A 53 0.388 22.791 6.996 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.187 22.086 8.012 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.534 23.060 6.580 1.00 0.74 O ATOM 0 H ASP A 53 -1.787 21.167 6.916 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.203 22.867 4.683 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.515 24.269 5.740 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.579 23.633 6.978 1.00 0.52 H new ATOM 547 N ASP A 54 0.185 20.737 4.407 1.00 0.42 N ATOM 548 CA ASP A 54 1.220 20.224 3.515 1.00 0.55 C ATOM 549 C ASP A 54 0.593 19.539 2.306 1.00 0.45 C ATOM 550 O ASP A 54 1.293 18.936 1.490 1.00 0.52 O ATOM 551 CB ASP A 54 2.150 19.258 4.256 1.00 0.73 C ATOM 552 CG ASP A 54 1.408 18.133 4.955 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.189 17.970 4.722 1.00 0.65 O ATOM 554 OD2 ASP A 54 2.040 17.414 5.760 1.00 1.10 O ATOM 0 H ASP A 54 -0.096 20.090 5.144 1.00 0.42 H new ATOM 0 HA ASP A 54 1.815 21.068 3.165 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.860 18.831 3.547 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.730 19.815 4.992 1.00 0.73 H new ATOM 559 N SER A 55 -0.735 19.628 2.223 1.00 0.36 N ATOM 560 CA SER A 55 -1.512 19.054 1.124 1.00 0.40 C ATOM 561 C SER A 55 -1.570 17.527 1.189 1.00 0.37 C ATOM 562 O SER A 55 -2.049 16.880 0.252 1.00 0.52 O ATOM 563 CB SER A 55 -0.955 19.514 -0.227 1.00 0.57 C ATOM 564 OG SER A 55 -0.842 20.927 -0.273 1.00 0.66 O ATOM 0 H SER A 55 -1.306 20.104 2.922 1.00 0.36 H new ATOM 0 HA SER A 55 -2.534 19.419 1.229 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.022 19.061 -0.395 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.608 19.171 -1.030 1.00 0.57 H new ATOM 0 HG SER A 55 -0.483 21.198 -1.144 1.00 0.66 H new ATOM 570 N LEU A 56 -1.107 16.951 2.292 1.00 0.28 N ATOM 571 CA LEU A 56 -1.130 15.506 2.445 1.00 0.31 C ATOM 572 C LEU A 56 -2.497 15.040 2.931 1.00 0.27 C ATOM 573 O LEU A 56 -3.092 15.650 3.824 1.00 0.30 O ATOM 574 CB LEU A 56 -0.040 15.034 3.413 1.00 0.38 C ATOM 575 CG LEU A 56 1.393 15.123 2.882 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.368 14.515 3.877 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.514 14.430 1.535 1.00 0.48 C ATOM 0 H LEU A 56 -0.715 17.459 3.085 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.934 15.066 1.467 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.108 15.625 4.326 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.244 13.999 3.687 1.00 0.38 H new ATOM 0 HG LEU A 56 1.641 16.176 2.749 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.382 14.587 3.483 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.307 15.054 4.822 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.116 13.467 4.040 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.541 14.506 1.178 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.244 13.379 1.641 1.00 0.48 H new ATOM 0 HD23 LEU A 56 0.844 14.907 0.819 1.00 0.48 H new ATOM 589 N ILE A 57 -2.995 13.971 2.324 1.00 0.27 N ATOM 590 CA ILE A 57 -4.289 13.414 2.684 1.00 0.26 C ATOM 591 C ILE A 57 -4.165 12.548 3.932 1.00 0.24 C ATOM 592 O ILE A 57 -3.287 11.693 4.021 1.00 0.29 O ATOM 593 CB ILE A 57 -4.875 12.571 1.528 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.144 13.458 0.304 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.149 11.866 1.964 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.204 14.523 0.525 1.00 0.57 C ATOM 0 H ILE A 57 -2.517 13.470 1.575 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.964 14.246 2.885 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.143 11.811 1.254 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.213 13.944 0.010 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.450 12.825 -0.529 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.543 11.279 1.134 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.931 11.206 2.803 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.889 12.607 2.268 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.332 15.104 -0.388 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.149 14.047 0.787 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.893 15.183 1.335 1.00 0.57 H new ATOM 608 N HIS A 58 -5.038 12.780 4.895 1.00 0.25 N ATOM 609 CA HIS A 58 -5.017 12.027 6.137 1.00 0.27 C ATOM 610 C HIS A 58 -6.307 11.250 6.340 1.00 0.27 C ATOM 611 O HIS A 58 -7.401 11.808 6.272 1.00 0.33 O ATOM 612 CB HIS A 58 -4.791 12.965 7.322 1.00 0.32 C ATOM 613 CG HIS A 58 -3.351 13.117 7.699 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.801 12.529 8.817 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.343 13.800 7.103 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.522 12.843 8.895 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.220 13.611 7.867 1.00 0.59 N ATOM 0 H HIS A 58 -5.773 13.486 4.841 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.195 11.314 6.075 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.201 13.946 7.081 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.346 12.590 8.182 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.305 11.942 9.482 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.412 14.383 6.197 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.839 12.525 9.669 1.00 0.61 H new ATOM 626 N PHE A 59 -6.160 9.957 6.574 1.00 0.27 N ATOM 627 CA PHE A 59 -7.285 9.074 6.826 1.00 0.28 C ATOM 628 C PHE A 59 -7.316 8.776 8.317 1.00 0.31 C ATOM 629 O PHE A 59 -6.456 8.051 8.823 1.00 0.36 O ATOM 630 CB PHE A 59 -7.131 7.781 6.019 1.00 0.31 C ATOM 631 CG PHE A 59 -8.278 6.818 6.147 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.392 6.937 5.336 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.234 5.786 7.074 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.444 6.048 5.446 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.283 4.895 7.188 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.390 5.027 6.374 1.00 0.94 C ATOM 0 H PHE A 59 -5.254 9.489 6.595 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.219 9.546 6.520 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -7.007 8.038 4.967 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.216 7.279 6.335 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.440 7.734 4.609 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -7.370 5.679 7.713 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.308 6.152 4.806 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -9.237 4.096 7.913 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.213 4.333 6.463 1.00 0.94 H new ATOM 646 N CYS A 60 -8.282 9.343 9.020 1.00 0.33 N ATOM 647 CA CYS A 60 -8.357 9.158 10.459 1.00 0.38 C ATOM 648 C CYS A 60 -9.706 8.607 10.910 1.00 0.38 C ATOM 649 O CYS A 60 -10.736 8.823 10.263 1.00 0.40 O ATOM 650 CB CYS A 60 -8.083 10.490 11.167 1.00 0.43 C ATOM 651 SG CYS A 60 -6.993 11.611 10.255 1.00 0.46 S ATOM 0 H CYS A 60 -9.017 9.929 8.624 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.599 8.422 10.729 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.033 10.993 11.348 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.640 10.285 12.142 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.765 11.196 10.352 1.00 0.46 H new ATOM 657 N TRP A 61 -9.675 7.887 12.025 1.00 0.39 N ATOM 658 CA TRP A 61 -10.867 7.307 12.627 1.00 0.39 C ATOM 659 C TRP A 61 -11.024 7.872 14.031 1.00 0.42 C ATOM 660 O TRP A 61 -10.160 7.666 14.894 1.00 0.45 O ATOM 661 CB TRP A 61 -10.757 5.778 12.677 1.00 0.40 C ATOM 662 CG TRP A 61 -12.034 5.094 13.093 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.026 4.635 12.270 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.458 4.797 14.432 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.033 4.067 13.012 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.710 4.155 14.344 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.903 5.006 15.697 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.409 3.724 15.471 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.600 4.582 16.812 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.842 3.945 16.693 1.00 0.52 C ATOM 0 H TRP A 61 -8.817 7.689 12.539 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.741 7.559 12.026 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.462 5.411 11.694 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -9.964 5.502 13.372 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.018 4.709 11.193 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.883 3.648 12.635 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.944 5.491 15.802 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.366 3.232 15.380 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.180 4.745 17.793 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.360 3.623 17.584 1.00 0.52 H new ATOM 681 N LYS A 62 -12.112 8.585 14.261 1.00 0.46 N ATOM 682 CA LYS A 62 -12.356 9.202 15.554 1.00 0.50 C ATOM 683 C LYS A 62 -13.499 8.517 16.294 1.00 0.51 C ATOM 684 O LYS A 62 -14.560 8.257 15.720 1.00 0.51 O ATOM 685 CB LYS A 62 -12.664 10.691 15.360 1.00 0.57 C ATOM 686 CG LYS A 62 -12.950 11.447 16.647 1.00 0.63 C ATOM 687 CD LYS A 62 -13.138 12.934 16.380 1.00 0.75 C ATOM 688 CE LYS A 62 -13.471 13.690 17.653 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.353 15.158 17.469 1.00 1.04 N ATOM 0 H LYS A 62 -12.842 8.752 13.569 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.459 9.090 16.162 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.819 11.161 14.857 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.524 10.788 14.697 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.846 11.043 17.118 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.128 11.301 17.348 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.229 13.343 15.940 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -13.937 13.076 15.652 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.485 13.443 17.967 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.803 13.369 18.452 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.588 15.640 18.360 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.379 15.396 17.193 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.009 15.468 16.724 1.00 1.04 H new ATOM 703 N ASP A 63 -13.261 8.212 17.568 1.00 0.53 N ATOM 704 CA ASP A 63 -14.267 7.579 18.415 1.00 0.55 C ATOM 705 C ASP A 63 -15.337 8.608 18.769 1.00 0.57 C ATOM 706 O ASP A 63 -15.017 9.718 19.196 1.00 0.62 O ATOM 707 CB ASP A 63 -13.609 7.026 19.684 1.00 0.61 C ATOM 708 CG ASP A 63 -14.591 6.349 20.621 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.051 5.235 20.310 1.00 1.09 O ATOM 710 OD2 ASP A 63 -14.883 6.918 21.693 1.00 0.92 O ATOM 0 H ASP A 63 -12.374 8.395 18.038 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.731 6.749 17.882 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.835 6.312 19.402 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.114 7.840 20.213 1.00 0.61 H new ATOM 715 N ARG A 64 -16.601 8.247 18.589 1.00 0.58 N ATOM 716 CA ARG A 64 -17.706 9.169 18.850 1.00 0.61 C ATOM 717 C ARG A 64 -17.948 9.401 20.341 1.00 0.66 C ATOM 718 O ARG A 64 -18.479 10.443 20.726 1.00 0.75 O ATOM 719 CB ARG A 64 -18.992 8.660 18.196 1.00 0.63 C ATOM 720 CG ARG A 64 -19.030 8.845 16.688 1.00 0.63 C ATOM 721 CD ARG A 64 -20.355 8.377 16.106 1.00 0.65 C ATOM 722 NE ARG A 64 -21.490 9.146 16.622 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.770 8.809 16.445 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.093 7.716 15.763 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.731 9.573 16.944 1.00 1.14 N ATOM 0 H ARG A 64 -16.889 7.324 18.264 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.419 10.126 18.414 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.110 7.601 18.426 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.843 9.179 18.638 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.875 9.896 16.445 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.213 8.288 16.231 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.323 8.464 15.020 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.499 7.322 16.337 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.289 9.995 17.151 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.360 7.126 15.369 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.074 7.467 15.633 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.493 10.418 17.463 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.709 9.316 16.809 1.00 1.14 H new ATOM 739 N THR A 65 -17.556 8.449 21.176 1.00 0.68 N ATOM 740 CA THR A 65 -17.772 8.576 22.612 1.00 0.74 C ATOM 741 C THR A 65 -16.701 9.438 23.284 1.00 0.75 C ATOM 742 O THR A 65 -17.010 10.469 23.882 1.00 0.83 O ATOM 743 CB THR A 65 -17.809 7.192 23.289 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.582 6.281 22.496 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.413 7.287 24.680 1.00 0.93 C ATOM 0 H THR A 65 -17.091 7.588 20.889 1.00 0.68 H new ATOM 0 HA THR A 65 -18.736 9.069 22.737 1.00 0.74 H new ATOM 0 HB THR A 65 -16.785 6.827 23.375 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.600 5.403 22.931 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.429 6.298 25.138 1.00 0.93 H new ATOM 0 HG22 THR A 65 -17.813 7.961 25.292 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.431 7.670 24.609 1.00 0.93 H new ATOM 753 N SER A 66 -15.448 9.020 23.178 1.00 0.71 N ATOM 754 CA SER A 66 -14.345 9.743 23.798 1.00 0.75 C ATOM 755 C SER A 66 -13.968 10.982 22.992 1.00 0.73 C ATOM 756 O SER A 66 -13.682 12.040 23.553 1.00 0.79 O ATOM 757 CB SER A 66 -13.129 8.820 23.943 1.00 0.75 C ATOM 758 OG SER A 66 -12.810 8.194 22.709 1.00 0.75 O ATOM 0 H SER A 66 -15.169 8.182 22.668 1.00 0.71 H new ATOM 0 HA SER A 66 -14.670 10.071 24.785 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.272 9.395 24.294 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.334 8.060 24.697 1.00 0.75 H new ATOM 0 HG SER A 66 -13.444 7.467 22.537 1.00 0.75 H new ATOM 764 N GLY A 67 -13.986 10.850 21.677 1.00 0.67 N ATOM 765 CA GLY A 67 -13.619 11.956 20.823 1.00 0.67 C ATOM 766 C GLY A 67 -12.140 11.933 20.516 1.00 0.65 C ATOM 767 O GLY A 67 -11.555 12.946 20.137 1.00 0.70 O ATOM 0 H GLY A 67 -14.249 9.996 21.185 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.188 11.908 19.894 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -13.879 12.897 21.308 1.00 0.67 H new ATOM 771 N ASN A 68 -11.533 10.767 20.689 1.00 0.63 N ATOM 772 CA ASN A 68 -10.109 10.605 20.429 1.00 0.63 C ATOM 773 C ASN A 68 -9.883 9.924 19.089 1.00 0.58 C ATOM 774 O ASN A 68 -10.657 9.052 18.688 1.00 0.58 O ATOM 775 CB ASN A 68 -9.444 9.791 21.541 1.00 0.68 C ATOM 776 CG ASN A 68 -8.702 10.660 22.534 1.00 0.85 C ATOM 777 OD1 ASN A 68 -8.318 11.791 22.231 1.00 1.01 O ATOM 778 ND2 ASN A 68 -8.485 10.136 23.728 1.00 1.01 N ATOM 0 H ASN A 68 -12.004 9.920 21.008 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.659 11.597 20.402 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.204 9.212 22.067 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.749 9.077 21.098 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -7.984 10.672 24.437 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -8.819 9.196 23.941 1.00 1.01 H new ATOM 785 N VAL A 69 -8.837 10.339 18.395 1.00 0.56 N ATOM 786 CA VAL A 69 -8.489 9.764 17.106 1.00 0.53 C ATOM 787 C VAL A 69 -7.563 8.568 17.312 1.00 0.51 C ATOM 788 O VAL A 69 -6.433 8.716 17.784 1.00 0.59 O ATOM 789 CB VAL A 69 -7.804 10.802 16.195 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.470 10.200 14.843 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.686 12.031 16.028 1.00 0.63 C ATOM 0 H VAL A 69 -8.208 11.079 18.706 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.408 9.441 16.618 1.00 0.53 H new ATOM 0 HB VAL A 69 -6.872 11.107 16.671 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -6.988 10.952 14.219 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.796 9.354 14.978 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.386 9.861 14.360 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.186 12.753 15.382 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.636 11.739 15.579 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.869 12.483 17.003 1.00 0.63 H new ATOM 801 N GLU A 70 -8.052 7.385 16.971 1.00 0.49 N ATOM 802 CA GLU A 70 -7.272 6.168 17.139 1.00 0.51 C ATOM 803 C GLU A 70 -6.406 5.886 15.923 1.00 0.50 C ATOM 804 O GLU A 70 -5.238 5.519 16.048 1.00 0.62 O ATOM 805 CB GLU A 70 -8.190 4.973 17.391 1.00 0.55 C ATOM 806 CG GLU A 70 -9.229 5.212 18.467 1.00 0.81 C ATOM 807 CD GLU A 70 -9.868 3.927 18.954 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.138 3.029 18.124 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.107 3.811 20.174 1.00 0.71 O ATOM 0 H GLU A 70 -8.982 7.242 16.578 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.622 6.319 18.001 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.697 4.715 16.461 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.582 4.113 17.672 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.764 5.724 19.309 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.003 5.874 18.079 1.00 0.81 H new ATOM 816 N ASP A 71 -6.982 6.055 14.746 1.00 0.47 N ATOM 817 CA ASP A 71 -6.262 5.792 13.512 1.00 0.46 C ATOM 818 C ASP A 71 -6.003 7.080 12.757 1.00 0.43 C ATOM 819 O ASP A 71 -6.859 7.959 12.721 1.00 0.46 O ATOM 820 CB ASP A 71 -7.048 4.817 12.635 1.00 0.51 C ATOM 821 CG ASP A 71 -7.270 3.481 13.313 1.00 0.57 C ATOM 822 OD1 ASP A 71 -6.311 2.684 13.399 1.00 0.73 O ATOM 823 OD2 ASP A 71 -8.406 3.216 13.766 1.00 0.61 O ATOM 0 H ASP A 71 -7.943 6.372 14.618 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.302 5.342 13.766 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.012 5.257 12.381 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.512 4.662 11.699 1.00 0.51 H new ATOM 828 N ASP A 72 -4.824 7.181 12.162 1.00 0.43 N ATOM 829 CA ASP A 72 -4.430 8.359 11.397 1.00 0.42 C ATOM 830 C ASP A 72 -3.265 8.008 10.482 1.00 0.42 C ATOM 831 O ASP A 72 -2.122 7.884 10.932 1.00 0.52 O ATOM 832 CB ASP A 72 -4.039 9.510 12.332 1.00 0.48 C ATOM 833 CG ASP A 72 -3.580 10.748 11.581 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.172 11.068 10.530 1.00 1.05 O ATOM 835 OD2 ASP A 72 -2.624 11.411 12.044 1.00 0.99 O ATOM 0 H ASP A 72 -4.113 6.451 12.195 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.278 8.684 10.794 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.892 9.767 12.961 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.242 9.177 12.997 1.00 0.48 H new ATOM 840 N LEU A 73 -3.562 7.833 9.205 1.00 0.36 N ATOM 841 CA LEU A 73 -2.547 7.475 8.223 1.00 0.38 C ATOM 842 C LEU A 73 -2.555 8.455 7.058 1.00 0.34 C ATOM 843 O LEU A 73 -3.578 9.075 6.769 1.00 0.42 O ATOM 844 CB LEU A 73 -2.795 6.056 7.705 1.00 0.44 C ATOM 845 CG LEU A 73 -2.744 4.955 8.763 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.362 3.677 8.225 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.310 4.705 9.205 1.00 0.92 C ATOM 0 H LEU A 73 -4.502 7.933 8.821 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.572 7.517 8.708 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.772 6.029 7.223 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.055 5.833 6.937 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.319 5.282 9.629 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.318 2.902 8.990 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.402 3.862 7.954 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.810 3.349 7.344 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.294 3.918 9.959 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.713 4.398 8.346 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.895 5.620 9.627 1.00 0.92 H new ATOM 859 N ILE A 74 -1.414 8.592 6.399 1.00 0.29 N ATOM 860 CA ILE A 74 -1.294 9.492 5.257 1.00 0.28 C ATOM 861 C ILE A 74 -1.555 8.722 3.964 1.00 0.30 C ATOM 862 O ILE A 74 -0.894 7.727 3.680 1.00 0.51 O ATOM 863 CB ILE A 74 0.099 10.148 5.201 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.516 10.621 6.595 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.092 11.314 4.226 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.963 11.053 6.686 1.00 0.59 C ATOM 0 H ILE A 74 -0.557 8.092 6.634 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.035 10.283 5.371 1.00 0.28 H new ATOM 0 HB ILE A 74 0.821 9.409 4.854 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.121 11.454 6.892 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.341 9.816 7.309 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.082 11.769 4.196 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.173 10.955 3.231 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.638 12.055 4.551 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.183 11.375 7.704 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.610 10.216 6.422 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.140 11.880 5.998 1.00 0.59 H new ATOM 878 N ILE A 75 -2.508 9.186 3.180 1.00 0.24 N ATOM 879 CA ILE A 75 -2.871 8.499 1.950 1.00 0.23 C ATOM 880 C ILE A 75 -2.157 9.072 0.727 1.00 0.24 C ATOM 881 O ILE A 75 -1.965 10.283 0.612 1.00 0.26 O ATOM 882 CB ILE A 75 -4.395 8.553 1.720 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.149 8.128 2.986 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.783 7.661 0.554 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.819 6.726 3.456 1.00 0.31 C ATOM 0 H ILE A 75 -3.045 10.032 3.369 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.553 7.464 2.072 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.670 9.581 1.484 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.921 8.832 3.786 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.221 8.195 2.798 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.861 7.709 0.403 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.275 8.000 -0.349 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.492 6.633 0.770 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.392 6.500 4.355 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.074 6.011 2.674 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.754 6.658 3.677 1.00 0.31 H new ATOM 897 N PHE A 76 -1.764 8.174 -0.174 1.00 0.27 N ATOM 898 CA PHE A 76 -1.080 8.536 -1.408 1.00 0.31 C ATOM 899 C PHE A 76 -1.674 7.725 -2.562 1.00 0.32 C ATOM 900 O PHE A 76 -2.217 6.638 -2.335 1.00 0.35 O ATOM 901 CB PHE A 76 0.423 8.258 -1.296 1.00 0.34 C ATOM 902 CG PHE A 76 1.080 8.929 -0.125 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.545 10.229 -0.223 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.235 8.254 1.075 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.153 10.844 0.855 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.840 8.862 2.156 1.00 0.50 C ATOM 907 CZ PHE A 76 2.301 10.160 2.045 1.00 0.58 C ATOM 0 H PHE A 76 -1.913 7.171 -0.066 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.217 9.602 -1.593 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.579 7.182 -1.220 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.913 8.587 -2.213 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.431 10.768 -1.152 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.878 7.239 1.166 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.512 11.859 0.767 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.953 8.325 3.086 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.777 10.639 2.888 1.00 0.58 H new ATOM 917 N PRO A 77 -1.589 8.233 -3.803 1.00 0.36 N ATOM 918 CA PRO A 77 -2.128 7.534 -4.975 1.00 0.38 C ATOM 919 C PRO A 77 -1.236 6.381 -5.438 1.00 0.33 C ATOM 920 O PRO A 77 -0.204 6.097 -4.826 1.00 0.33 O ATOM 921 CB PRO A 77 -2.185 8.636 -6.032 1.00 0.45 C ATOM 922 CG PRO A 77 -1.100 9.586 -5.663 1.00 0.55 C ATOM 923 CD PRO A 77 -0.969 9.525 -4.164 1.00 0.44 C ATOM 0 HA PRO A 77 -3.091 7.066 -4.769 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -2.031 8.231 -7.032 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.157 9.130 -6.034 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -0.162 9.310 -6.146 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -1.342 10.597 -5.990 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.075 9.568 -3.853 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.479 10.360 -3.684 1.00 0.44 H new ATOM 931 N ASP A 78 -1.656 5.725 -6.527 1.00 0.40 N ATOM 932 CA ASP A 78 -0.945 4.584 -7.127 1.00 0.46 C ATOM 933 C ASP A 78 -0.604 3.518 -6.087 1.00 0.45 C ATOM 934 O ASP A 78 0.464 2.907 -6.149 1.00 0.60 O ATOM 935 CB ASP A 78 0.348 4.997 -7.877 1.00 0.53 C ATOM 936 CG ASP A 78 0.551 6.495 -8.019 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.163 7.128 -8.830 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.448 7.042 -7.339 1.00 1.36 O ATOM 0 H ASP A 78 -2.511 5.974 -7.025 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.639 4.169 -7.858 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.206 4.576 -7.352 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.333 4.551 -8.871 1.00 0.53 H new ATOM 943 N ASP A 79 -1.519 3.273 -5.150 1.00 0.53 N ATOM 944 CA ASP A 79 -1.290 2.274 -4.104 1.00 0.61 C ATOM 945 C ASP A 79 -2.581 1.917 -3.376 1.00 0.59 C ATOM 946 O ASP A 79 -2.822 0.754 -3.054 1.00 1.11 O ATOM 947 CB ASP A 79 -0.263 2.779 -3.086 1.00 0.80 C ATOM 948 CG ASP A 79 1.021 1.973 -3.099 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.032 0.859 -3.664 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.033 2.458 -2.555 1.00 1.74 O ATOM 0 H ASP A 79 -2.420 3.748 -5.092 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.907 1.380 -4.596 1.00 0.61 H new ATOM 0 HB2 ASP A 79 -0.033 3.824 -3.296 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.699 2.743 -2.088 1.00 0.80 H new ATOM 955 N CYS A 80 -3.393 2.924 -3.097 1.00 0.50 N ATOM 956 CA CYS A 80 -4.658 2.722 -2.396 1.00 0.46 C ATOM 957 C CYS A 80 -5.733 2.189 -3.336 1.00 0.43 C ATOM 958 O CYS A 80 -5.781 2.555 -4.516 1.00 0.60 O ATOM 959 CB CYS A 80 -5.112 4.035 -1.770 1.00 0.63 C ATOM 960 SG CYS A 80 -3.868 4.790 -0.698 1.00 0.90 S ATOM 0 H CYS A 80 -3.201 3.894 -3.345 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.502 1.980 -1.613 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.371 4.736 -2.563 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -6.019 3.858 -1.192 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.144 5.619 -1.390 1.00 0.90 H new ATOM 966 N GLU A 81 -6.602 1.335 -2.809 1.00 0.34 N ATOM 967 CA GLU A 81 -7.669 0.741 -3.600 1.00 0.39 C ATOM 968 C GLU A 81 -8.836 0.319 -2.708 1.00 0.36 C ATOM 969 O GLU A 81 -9.113 -0.878 -2.551 1.00 0.45 O ATOM 970 CB GLU A 81 -7.135 -0.466 -4.370 1.00 0.49 C ATOM 971 CG GLU A 81 -7.608 -0.532 -5.813 1.00 0.74 C ATOM 972 CD GLU A 81 -7.223 -1.835 -6.477 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.483 -2.900 -5.882 1.00 1.15 O ATOM 974 OE2 GLU A 81 -6.655 -1.804 -7.591 1.00 1.32 O ATOM 0 H GLU A 81 -6.587 1.038 -1.833 1.00 0.34 H new ATOM 0 HA GLU A 81 -8.031 1.487 -4.307 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.045 -0.441 -4.355 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.440 -1.377 -3.856 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.691 -0.415 -5.845 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -7.181 0.300 -6.373 1.00 0.74 H new ATOM 981 N PHE A 82 -9.506 1.303 -2.116 1.00 0.34 N ATOM 982 CA PHE A 82 -10.653 1.052 -1.243 1.00 0.32 C ATOM 983 C PHE A 82 -11.767 0.350 -2.019 1.00 0.33 C ATOM 984 O PHE A 82 -12.219 0.847 -3.051 1.00 0.42 O ATOM 985 CB PHE A 82 -11.160 2.374 -0.661 1.00 0.35 C ATOM 986 CG PHE A 82 -12.297 2.226 0.312 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.155 1.460 1.457 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.503 2.866 0.087 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.195 1.334 2.356 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.548 2.742 0.984 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.393 1.976 2.119 1.00 0.43 C ATOM 0 H PHE A 82 -9.273 2.290 -2.225 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.341 0.402 -0.425 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.333 2.878 -0.161 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.479 3.019 -1.479 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.220 0.955 1.649 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.630 3.469 -0.800 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -13.071 0.733 3.245 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.485 3.245 0.795 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.208 1.878 2.821 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.203 -0.806 -1.531 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.247 -1.569 -2.209 1.00 0.38 C ATOM 1003 C LYS A 83 -14.187 -2.246 -1.209 1.00 0.37 C ATOM 1004 O LYS A 83 -14.000 -2.146 0.004 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.616 -2.621 -3.128 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.814 -3.680 -2.385 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.157 -4.663 -3.342 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.743 -4.236 -3.709 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.714 -2.936 -4.438 1.00 1.44 N ATOM 0 H LYS A 83 -11.853 -1.234 -0.674 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.836 -0.872 -2.805 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.404 -3.110 -3.701 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -11.965 -2.121 -3.845 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.049 -3.197 -1.777 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.470 -4.220 -1.702 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.131 -5.652 -2.885 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.758 -4.746 -4.247 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.144 -4.154 -2.802 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.282 -5.007 -4.327 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.846 -2.877 -5.008 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -10.543 -2.869 -5.062 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.732 -2.153 -3.753 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.191 -2.937 -1.738 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.169 -3.639 -0.920 1.00 0.43 C ATOM 1025 C ARG A 84 -16.008 -5.145 -1.092 1.00 0.44 C ATOM 1026 O ARG A 84 -15.633 -5.613 -2.169 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.588 -3.220 -1.326 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.671 -3.727 -0.388 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.062 -3.512 -0.962 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.415 -4.524 -1.957 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.637 -5.043 -2.090 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.626 -4.649 -1.298 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.872 -5.962 -3.017 1.00 0.96 N ATOM 0 H ARG A 84 -15.348 -3.025 -2.742 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.005 -3.380 0.126 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.637 -2.132 -1.368 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.791 -3.587 -2.332 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.517 -4.789 -0.196 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.590 -3.215 0.571 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.793 -3.530 -0.154 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.116 -2.523 -1.418 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.683 -4.853 -2.587 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.455 -3.944 -0.581 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.557 -5.051 -1.406 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.118 -6.273 -3.630 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.807 -6.358 -3.117 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.277 -5.898 -0.035 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.174 -7.350 -0.091 1.00 0.49 C ATOM 1049 C VAL A 85 -17.516 -7.954 -0.503 1.00 0.55 C ATOM 1050 O VAL A 85 -18.489 -7.892 0.247 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.747 -7.945 1.267 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.340 -9.402 1.108 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.611 -7.138 1.878 1.00 0.50 C ATOM 0 H VAL A 85 -16.568 -5.529 0.870 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.410 -7.595 -0.829 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.601 -7.897 1.942 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.042 -9.804 2.076 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.183 -9.975 0.721 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.503 -9.472 0.413 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.327 -7.576 2.835 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.754 -7.149 1.205 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.937 -6.110 2.033 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.585 -8.560 -1.697 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.823 -9.156 -2.213 1.00 0.69 C ATOM 1065 C PRO A 86 -19.115 -10.537 -1.633 1.00 0.68 C ATOM 1066 O PRO A 86 -20.081 -11.189 -2.019 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.544 -9.253 -3.711 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.070 -9.439 -3.818 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.459 -8.719 -2.645 1.00 0.64 C ATOM 0 HA PRO A 86 -19.700 -8.565 -1.951 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.081 -10.089 -4.159 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.867 -8.351 -4.232 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.811 -10.498 -3.801 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.696 -9.035 -4.759 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.644 -9.293 -2.204 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.046 -7.754 -2.940 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.289 -10.968 -0.690 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.454 -12.279 -0.075 1.00 0.70 C ATOM 1079 C GLN A 87 -19.229 -12.191 1.232 1.00 0.70 C ATOM 1080 O GLN A 87 -19.629 -13.209 1.794 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.091 -12.918 0.179 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.294 -13.162 -1.090 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.063 -13.967 -2.119 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -17.739 -13.412 -2.984 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -16.973 -15.286 -2.027 1.00 1.21 N ATOM 0 H GLN A 87 -17.499 -10.430 -0.334 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.025 -12.898 -0.768 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.514 -12.274 0.843 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.233 -13.866 0.698 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.008 -12.204 -1.524 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -15.372 -13.687 -0.840 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -16.402 -15.708 -1.295 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -17.475 -15.879 -2.688 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.440 -10.978 1.711 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.159 -10.772 2.956 1.00 0.71 C ATOM 1096 C CYS A 88 -21.658 -10.634 2.700 1.00 0.71 C ATOM 1097 O CYS A 88 -22.079 -9.804 1.891 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.627 -9.531 3.667 1.00 0.73 C ATOM 1099 SG CYS A 88 -17.832 -9.520 3.866 1.00 1.44 S ATOM 0 H CYS A 88 -19.124 -10.121 1.257 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.001 -11.642 3.594 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.927 -8.646 3.106 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.093 -9.459 4.650 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.528 -9.049 5.039 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.483 -11.455 3.384 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.946 -11.426 3.236 1.00 0.79 C ATOM 1107 C PRO A 89 -24.546 -10.074 3.604 1.00 0.74 C ATOM 1108 O PRO A 89 -25.629 -9.725 3.143 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.439 -12.503 4.207 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.259 -13.375 4.462 1.00 0.92 C ATOM 1111 CD PRO A 89 -22.052 -12.489 4.341 1.00 0.81 C ATOM 0 HA PRO A 89 -24.242 -11.600 2.201 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.807 -12.059 5.132 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.263 -13.073 3.777 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.314 -13.825 5.453 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.216 -14.193 3.742 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.773 -12.056 5.302 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.185 -13.039 3.975 1.00 0.81 H new ATOM 1119 N SER A 90 -23.839 -9.321 4.441 1.00 0.71 N ATOM 1120 CA SER A 90 -24.300 -8.004 4.863 1.00 0.71 C ATOM 1121 C SER A 90 -24.237 -7.025 3.695 1.00 0.65 C ATOM 1122 O SER A 90 -25.138 -6.206 3.501 1.00 0.72 O ATOM 1123 CB SER A 90 -23.439 -7.499 6.018 1.00 0.75 C ATOM 1124 OG SER A 90 -22.063 -7.601 5.696 1.00 0.85 O ATOM 0 H SER A 90 -22.943 -9.601 4.841 1.00 0.71 H new ATOM 0 HA SER A 90 -25.334 -8.082 5.198 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.690 -6.462 6.240 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.651 -8.077 6.917 1.00 0.75 H new ATOM 0 HG SER A 90 -21.564 -7.901 6.484 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.161 -7.119 2.924 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.982 -6.252 1.776 1.00 0.60 C ATOM 1132 C GLY A 91 -22.615 -4.835 2.163 1.00 0.57 C ATOM 1133 O GLY A 91 -22.722 -3.920 1.351 1.00 0.64 O ATOM 0 H GLY A 91 -22.404 -7.786 3.075 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.202 -6.662 1.135 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.901 -6.237 1.190 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.179 -4.649 3.400 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.801 -3.324 3.876 1.00 0.51 C ATOM 1139 C ARG A 92 -20.399 -3.343 4.464 1.00 0.48 C ATOM 1140 O ARG A 92 -19.972 -2.390 5.119 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.807 -2.815 4.908 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.236 -2.790 4.394 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.124 -1.897 5.238 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.928 -0.482 4.932 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.351 0.505 5.712 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.991 0.235 6.840 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.147 1.763 5.359 1.00 0.60 N ATOM 0 H ARG A 92 -22.078 -5.393 4.090 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.806 -2.643 3.025 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.758 -3.447 5.795 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.522 -1.809 5.217 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.245 -2.440 3.362 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.638 -3.803 4.390 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.168 -2.163 5.071 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.915 -2.072 6.293 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.439 -0.239 4.071 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.160 -0.734 7.111 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.315 0.996 7.437 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.664 1.976 4.486 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.473 2.520 5.960 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.689 -4.434 4.218 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.328 -4.592 4.702 1.00 0.45 C ATOM 1163 C VAL A 93 -17.342 -4.138 3.631 1.00 0.41 C ATOM 1164 O VAL A 93 -17.237 -4.753 2.563 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.031 -6.058 5.099 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.564 -6.242 5.460 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.924 -6.488 6.255 1.00 0.56 C ATOM 0 H VAL A 93 -20.038 -5.228 3.681 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.216 -3.974 5.593 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.247 -6.691 4.238 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.385 -7.281 5.735 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.943 -5.981 4.603 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.312 -5.596 6.301 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.702 -7.521 6.521 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.741 -5.844 7.115 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.969 -6.407 5.957 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.651 -3.049 3.912 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.675 -2.495 2.989 1.00 0.37 C ATOM 1179 C TYR A 94 -14.271 -2.741 3.517 1.00 0.35 C ATOM 1180 O TYR A 94 -14.089 -3.003 4.707 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.912 -0.995 2.803 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.158 -0.660 2.004 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.421 -0.740 2.579 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.070 -0.262 0.675 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.558 -0.434 1.853 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.204 0.045 -0.056 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.444 -0.044 0.538 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.577 0.260 -0.185 1.00 0.53 O ATOM 0 H TYR A 94 -16.749 -2.525 4.782 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.784 -2.986 2.022 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.985 -0.525 3.784 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.046 -0.560 2.305 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.516 -1.046 3.610 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.100 -0.191 0.205 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.531 -0.501 2.316 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.118 0.353 -1.088 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.526 -0.164 -1.067 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.281 -2.659 2.644 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.908 -2.892 3.051 1.00 0.33 C ATOM 1200 C VAL A 95 -10.950 -1.878 2.426 1.00 0.31 C ATOM 1201 O VAL A 95 -10.950 -1.659 1.212 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.452 -4.335 2.710 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.655 -4.652 1.233 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.002 -4.559 3.118 1.00 0.38 C ATOM 0 H VAL A 95 -13.402 -2.434 1.656 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.877 -2.766 4.133 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.077 -5.020 3.283 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.325 -5.671 1.031 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.711 -4.557 0.982 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.074 -3.956 0.628 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.707 -5.578 2.868 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.362 -3.855 2.586 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.898 -4.404 4.192 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.163 -1.243 3.282 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.167 -0.277 2.854 1.00 0.30 C ATOM 1216 C LEU A 96 -7.863 -1.023 2.615 1.00 0.30 C ATOM 1217 O LEU A 96 -7.189 -1.425 3.567 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.982 0.798 3.931 1.00 0.34 C ATOM 1219 CG LEU A 96 -8.200 2.038 3.502 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -9.124 3.053 2.843 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.484 2.655 4.696 1.00 0.44 C ATOM 0 H LEU A 96 -10.198 -1.384 4.292 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.486 0.219 1.937 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.967 1.113 4.276 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.474 0.348 4.784 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.450 1.737 2.771 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -8.548 3.929 2.544 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -9.587 2.606 1.963 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.899 3.351 3.549 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.932 3.537 4.373 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.216 2.942 5.451 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.791 1.928 5.120 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.521 -1.232 1.356 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.319 -1.976 1.013 1.00 0.33 C ATOM 1235 C LYS A 97 -5.181 -1.071 0.562 1.00 0.26 C ATOM 1236 O LYS A 97 -5.390 -0.090 -0.153 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.620 -2.991 -0.092 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.455 -3.920 -0.396 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.711 -4.761 -1.636 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.523 -5.660 -1.937 1.00 0.80 C ATOM 1241 NZ LYS A 97 -4.747 -6.503 -3.139 1.00 0.89 N ATOM 0 H LYS A 97 -8.057 -0.898 0.555 1.00 0.29 H new ATOM 0 HA LYS A 97 -6.000 -2.489 1.920 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.484 -3.588 0.200 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.894 -2.456 -1.001 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.548 -3.332 -0.537 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.280 -4.575 0.458 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.604 -5.369 -1.490 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.904 -4.110 -2.488 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.634 -5.047 -2.086 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.328 -6.301 -1.077 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -3.911 -7.099 -3.306 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -5.579 -7.108 -2.988 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -4.907 -5.893 -3.966 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.980 -1.421 0.990 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.779 -0.700 0.621 1.00 0.30 C ATOM 1257 C PHE A 98 -1.852 -1.646 -0.128 1.00 0.33 C ATOM 1258 O PHE A 98 -1.377 -2.629 0.441 1.00 0.45 O ATOM 1259 CB PHE A 98 -2.075 -0.156 1.867 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.141 1.336 2.004 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -1.277 2.151 1.289 1.00 0.57 C ATOM 1262 CD2 PHE A 98 -3.060 1.924 2.854 1.00 0.61 C ATOM 1263 CE1 PHE A 98 -1.331 3.525 1.420 1.00 0.72 C ATOM 1264 CE2 PHE A 98 -3.118 3.299 2.990 1.00 0.76 C ATOM 1265 CZ PHE A 98 -2.252 4.101 2.272 1.00 0.77 C ATOM 0 H PHE A 98 -3.812 -2.217 1.606 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.044 0.144 -0.016 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -2.521 -0.612 2.751 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -1.029 -0.462 1.843 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -0.553 1.706 0.622 1.00 0.57 H new ATOM 0 HD2 PHE A 98 -3.740 1.302 3.418 1.00 0.61 H new ATOM 0 HE1 PHE A 98 -0.653 4.148 0.856 1.00 0.72 H new ATOM 0 HE2 PHE A 98 -3.840 3.746 3.657 1.00 0.76 H new ATOM 0 HZ PHE A 98 -2.295 5.175 2.377 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.614 -1.367 -1.403 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.747 -2.213 -2.219 1.00 0.48 C ATOM 1277 C LYS A 99 0.700 -2.163 -1.733 1.00 0.54 C ATOM 1278 O LYS A 99 1.519 -3.003 -2.107 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.835 -1.813 -3.694 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.101 -2.311 -4.373 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.309 -1.667 -5.735 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.553 -2.211 -6.415 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.024 -1.325 -7.512 1.00 1.11 N ATOM 0 H LYS A 99 -2.007 -0.565 -1.895 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.096 -3.241 -2.117 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.791 -0.727 -3.773 1.00 0.54 H new ATOM 0 HB3 LYS A 99 0.033 -2.207 -4.223 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.049 -3.394 -4.488 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.961 -2.099 -3.737 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.397 -0.587 -5.620 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.438 -1.850 -6.364 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.342 -3.203 -6.816 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.347 -2.327 -5.677 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.061 -1.368 -7.572 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.729 -0.347 -7.319 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.611 -1.639 -8.413 1.00 1.11 H new ATOM 1297 N ALA A 100 1.009 -1.176 -0.902 1.00 0.55 N ATOM 1298 CA ALA A 100 2.346 -1.029 -0.354 1.00 0.63 C ATOM 1299 C ALA A 100 2.537 -1.960 0.837 1.00 0.62 C ATOM 1300 O ALA A 100 2.321 -1.570 1.985 1.00 1.36 O ATOM 1301 CB ALA A 100 2.605 0.417 0.053 1.00 0.89 C ATOM 0 H ALA A 100 0.347 -0.464 -0.593 1.00 0.55 H new ATOM 0 HA ALA A 100 3.065 -1.301 -1.126 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.612 0.505 0.461 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.509 1.063 -0.819 1.00 0.89 H new ATOM 0 HB3 ALA A 100 1.880 0.718 0.809 1.00 0.89 H new ATOM 1307 N GLY A 101 2.927 -3.195 0.558 1.00 0.78 N ATOM 1308 CA GLY A 101 3.137 -4.162 1.613 1.00 0.83 C ATOM 1309 C GLY A 101 1.910 -5.011 1.865 1.00 0.73 C ATOM 1310 O GLY A 101 1.376 -5.629 0.942 1.00 1.06 O ATOM 0 H GLY A 101 3.102 -3.545 -0.384 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.975 -4.807 1.350 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.411 -3.642 2.531 1.00 0.83 H new ATOM 1314 N SER A 102 1.458 -5.039 3.107 1.00 0.51 N ATOM 1315 CA SER A 102 0.291 -5.822 3.478 1.00 0.48 C ATOM 1316 C SER A 102 -0.487 -5.132 4.593 1.00 0.52 C ATOM 1317 O SER A 102 -0.102 -5.194 5.763 1.00 1.13 O ATOM 1318 CB SER A 102 0.725 -7.218 3.924 1.00 0.60 C ATOM 1319 OG SER A 102 1.768 -7.139 4.884 1.00 1.00 O ATOM 0 H SER A 102 1.884 -4.526 3.879 1.00 0.51 H new ATOM 0 HA SER A 102 -0.361 -5.910 2.609 1.00 0.48 H new ATOM 0 HB2 SER A 102 -0.126 -7.750 4.348 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.062 -7.792 3.061 1.00 0.60 H new ATOM 0 HG SER A 102 1.571 -6.423 5.523 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.566 -4.460 4.224 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.397 -3.757 5.188 1.00 0.42 C ATOM 1327 C LYS A 103 -3.837 -3.698 4.700 1.00 0.39 C ATOM 1328 O LYS A 103 -4.151 -2.980 3.745 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.861 -2.343 5.419 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.243 -1.759 6.768 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.681 -0.359 6.954 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.864 0.130 8.383 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.068 -0.668 9.356 1.00 1.17 N ATOM 0 H LYS A 103 -1.888 -4.387 3.259 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.369 -4.301 6.132 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.774 -2.357 5.334 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.234 -1.689 4.631 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.329 -1.730 6.858 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.875 -2.408 7.563 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.621 -0.355 6.700 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -2.176 0.327 6.267 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.569 1.177 8.447 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.919 0.079 8.651 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.973 -0.137 10.245 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.550 -1.571 9.541 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.124 -0.855 8.962 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.700 -4.468 5.343 1.00 0.37 N ATOM 1348 CA ARG A 104 -6.110 -4.508 4.988 1.00 0.38 C ATOM 1349 C ARG A 104 -6.972 -4.108 6.178 1.00 0.37 C ATOM 1350 O ARG A 104 -7.143 -4.883 7.117 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.518 -5.908 4.513 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.958 -6.291 3.153 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.797 -7.263 3.275 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.469 -7.875 1.994 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.522 -8.797 1.822 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.794 -9.218 2.853 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -3.304 -9.295 0.617 1.00 1.70 N ATOM 0 H ARG A 104 -4.446 -5.078 6.120 1.00 0.37 H new ATOM 0 HA ARG A 104 -6.266 -3.800 4.174 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -6.187 -6.640 5.249 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.606 -5.964 4.475 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.746 -6.740 2.549 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -5.627 -5.394 2.630 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -3.923 -6.739 3.662 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.048 -8.041 3.996 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.999 -7.578 1.175 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.959 -8.835 3.784 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -2.071 -9.924 2.713 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -3.859 -8.973 -0.176 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -2.580 -10.001 0.480 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.503 -2.897 6.145 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.351 -2.415 7.223 1.00 0.34 C ATOM 1373 C LEU A 105 -9.817 -2.554 6.839 1.00 0.33 C ATOM 1374 O LEU A 105 -10.287 -1.912 5.901 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.021 -0.957 7.554 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.656 -0.731 8.214 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.325 0.754 8.255 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.633 -1.314 9.619 1.00 0.82 C ATOM 0 H LEU A 105 -7.362 -2.231 5.385 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.163 -3.019 8.111 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.063 -0.374 6.634 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.795 -0.567 8.215 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.901 -1.242 7.617 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.353 0.897 8.727 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.297 1.149 7.239 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.088 1.281 8.828 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.655 -1.142 10.068 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.400 -0.833 10.225 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.827 -2.386 9.572 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.528 -3.411 7.552 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.937 -3.648 7.278 1.00 0.34 C ATOM 1392 C PHE A 106 -12.812 -2.662 8.040 1.00 0.35 C ATOM 1393 O PHE A 106 -12.573 -2.385 9.217 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.317 -5.081 7.652 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.593 -6.129 6.857 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -12.111 -6.590 5.659 1.00 0.44 C ATOM 1397 CD2 PHE A 106 -10.393 -6.657 7.313 1.00 0.46 C ATOM 1398 CE1 PHE A 106 -11.448 -7.560 4.930 1.00 0.50 C ATOM 1399 CE2 PHE A 106 -9.726 -7.625 6.588 1.00 0.52 C ATOM 1400 CZ PHE A 106 -10.254 -8.078 5.396 1.00 0.52 C ATOM 0 H PHE A 106 -10.152 -3.956 8.328 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.103 -3.503 6.211 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -12.112 -5.236 8.711 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.390 -5.210 7.513 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -13.043 -6.188 5.290 1.00 0.44 H new ATOM 0 HD2 PHE A 106 -9.976 -6.307 8.246 1.00 0.46 H new ATOM 0 HE1 PHE A 106 -11.863 -7.913 3.997 1.00 0.50 H new ATOM 0 HE2 PHE A 106 -8.793 -8.027 6.953 1.00 0.52 H new ATOM 0 HZ PHE A 106 -9.735 -8.836 4.828 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.811 -2.125 7.352 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.738 -1.173 7.945 1.00 0.37 C ATOM 1412 C PHE A 107 -16.170 -1.548 7.583 1.00 0.39 C ATOM 1413 O PHE A 107 -16.418 -2.138 6.531 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.441 0.249 7.461 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.133 0.800 7.948 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -13.004 1.269 9.246 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.031 0.850 7.110 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.800 1.775 9.701 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.825 1.354 7.559 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.709 1.816 8.855 1.00 0.46 C ATOM 0 H PHE A 107 -14.000 -2.336 6.372 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.616 -1.205 9.028 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.444 0.259 6.371 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.245 0.908 7.788 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.855 1.239 9.911 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.115 0.491 6.095 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.713 2.137 10.715 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.973 1.386 6.896 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.766 2.209 9.207 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.102 -1.230 8.465 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.505 -1.529 8.222 1.00 0.43 C ATOM 1432 C TRP A 108 -19.349 -0.272 8.381 1.00 0.45 C ATOM 1433 O TRP A 108 -19.295 0.401 9.412 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.012 -2.661 9.134 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.550 -2.592 10.563 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.293 -2.843 11.035 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.351 -2.282 11.708 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.261 -2.688 12.398 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -18.514 -2.346 12.833 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -20.696 -1.944 11.888 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -18.973 -2.094 14.119 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.151 -1.695 13.169 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -20.292 -1.768 14.269 1.00 0.74 C ATOM 0 H TRP A 108 -16.915 -0.766 9.354 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.601 -1.881 7.195 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.102 -2.655 9.121 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.694 -3.615 8.712 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.447 -3.123 10.424 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -16.439 -2.808 12.990 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.366 -1.879 11.043 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -18.311 -2.153 14.971 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -22.189 -1.439 13.323 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -20.678 -1.563 15.257 1.00 0.74 H new ATOM 1454 N MET A 109 -20.107 0.042 7.335 1.00 0.46 N ATOM 1455 CA MET A 109 -20.966 1.223 7.308 1.00 0.48 C ATOM 1456 C MET A 109 -21.957 1.226 8.464 1.00 0.50 C ATOM 1457 O MET A 109 -22.740 0.288 8.635 1.00 0.51 O ATOM 1458 CB MET A 109 -21.729 1.291 5.982 1.00 0.50 C ATOM 1459 CG MET A 109 -20.846 1.566 4.778 1.00 0.50 C ATOM 1460 SD MET A 109 -20.235 3.261 4.733 1.00 0.58 S ATOM 1461 CE MET A 109 -19.301 3.227 3.203 1.00 0.60 C ATOM 0 H MET A 109 -20.144 -0.515 6.481 1.00 0.46 H new ATOM 0 HA MET A 109 -20.323 2.097 7.409 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.254 0.348 5.827 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.487 2.071 6.050 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.999 0.880 4.790 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.408 1.363 3.867 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.855 4.206 3.027 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.513 2.477 3.274 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.966 2.977 2.376 1.00 0.60 H new ATOM 1471 N GLN A 110 -21.925 2.290 9.253 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.824 2.427 10.387 1.00 0.53 C ATOM 1473 C GLN A 110 -23.989 3.341 10.027 1.00 0.56 C ATOM 1474 O GLN A 110 -24.841 3.641 10.863 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.085 2.962 11.615 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.327 1.887 12.381 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.656 2.409 13.639 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.206 3.556 13.699 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.594 1.568 14.658 1.00 0.53 N ATOM 0 H GLN A 110 -21.283 3.073 9.127 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.213 1.439 10.634 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.384 3.735 11.300 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.803 3.436 12.284 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -22.017 1.087 12.650 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.571 1.450 11.729 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.978 0.628 14.567 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.162 1.860 15.535 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.011 3.783 8.774 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.072 4.647 8.281 1.00 0.60 C ATOM 1490 C GLU A 111 -26.381 3.860 8.217 1.00 0.63 C ATOM 1491 O GLU A 111 -26.385 2.686 7.857 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.710 5.199 6.900 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.550 6.185 6.918 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.848 7.432 7.729 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.984 7.945 7.645 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.946 7.913 8.451 1.00 0.67 O ATOM 0 H GLU A 111 -23.300 3.554 8.079 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.195 5.489 8.962 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.458 4.368 6.241 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.585 5.690 6.474 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.668 5.693 7.328 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.308 6.472 5.895 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.506 4.498 8.560 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.825 3.841 8.580 1.00 0.71 C ATOM 1505 C PRO A 112 -29.382 3.462 7.203 1.00 0.71 C ATOM 1506 O PRO A 112 -30.338 2.690 7.119 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.723 4.891 9.241 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.060 6.194 8.975 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.585 5.911 8.976 1.00 0.71 C ATOM 0 HA PRO A 112 -28.766 2.885 9.100 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.729 4.868 8.822 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -29.819 4.709 10.311 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.378 6.606 8.017 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.318 6.927 9.739 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.051 6.563 8.285 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.147 6.064 9.962 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.809 3.993 6.130 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.309 3.688 4.792 1.00 0.75 C ATOM 1519 C LYS A 113 -28.189 3.301 3.832 1.00 0.69 C ATOM 1520 O LYS A 113 -27.108 3.892 3.848 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.083 4.885 4.228 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.360 5.193 4.994 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.021 6.470 4.504 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.175 6.872 5.408 1.00 1.11 C ATOM 1525 NZ LYS A 113 -33.747 8.194 5.036 1.00 1.51 N ATOM 0 H LYS A 113 -28.010 4.627 6.156 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.975 2.831 4.887 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.439 5.764 4.242 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.332 4.689 3.185 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.056 4.361 4.889 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.133 5.286 6.056 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.285 7.274 4.470 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.385 6.327 3.487 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.956 6.113 5.357 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -32.830 6.905 6.441 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -34.530 8.427 5.679 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.010 8.924 5.110 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.101 8.157 4.059 1.00 1.51 H new ATOM 1539 N THR A 114 -28.467 2.300 3.001 1.00 0.69 N ATOM 1540 CA THR A 114 -27.521 1.816 1.998 1.00 0.66 C ATOM 1541 C THR A 114 -27.595 2.672 0.735 1.00 0.67 C ATOM 1542 O THR A 114 -26.819 2.495 -0.203 1.00 0.69 O ATOM 1543 CB THR A 114 -27.837 0.358 1.614 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.238 0.106 1.803 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.021 -0.623 2.441 1.00 0.86 C ATOM 0 H THR A 114 -29.356 1.800 3.004 1.00 0.69 H new ATOM 0 HA THR A 114 -26.522 1.877 2.430 1.00 0.66 H new ATOM 0 HB THR A 114 -27.572 0.215 0.566 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.440 -0.821 1.557 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.268 -1.642 2.145 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.959 -0.444 2.274 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.250 -0.487 3.498 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.541 3.601 0.740 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.786 4.504 -0.382 1.00 0.72 C ATOM 1555 C ASP A 115 -27.514 5.203 -0.838 1.00 0.68 C ATOM 1556 O ASP A 115 -27.213 5.242 -2.031 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.842 5.544 0.007 1.00 0.79 C ATOM 1558 CG ASP A 115 -31.194 4.925 0.314 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.249 3.960 1.110 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -32.211 5.406 -0.232 1.00 1.19 O ATOM 0 H ASP A 115 -29.168 3.753 1.530 1.00 0.69 H new ATOM 0 HA ASP A 115 -29.149 3.903 -1.216 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.495 6.098 0.879 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.953 6.263 -0.804 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.752 5.738 0.107 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.515 6.435 -0.226 1.00 0.64 C ATOM 1567 C GLN A 116 -24.287 5.604 0.141 1.00 0.60 C ATOM 1568 O GLN A 116 -23.196 6.149 0.322 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.454 7.788 0.488 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.559 8.754 0.090 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.623 8.998 -1.401 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -27.432 8.400 -2.107 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.758 9.868 -1.889 1.00 0.92 N ATOM 0 H GLN A 116 -26.966 5.704 1.104 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.510 6.594 -1.304 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.503 7.621 1.564 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.490 8.252 0.281 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.517 8.361 0.430 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.405 9.704 0.602 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.104 10.342 -1.266 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.744 10.067 -2.889 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.458 4.291 0.245 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.351 3.401 0.606 1.00 0.58 C ATOM 1584 C ASP A 117 -22.232 3.465 -0.427 1.00 0.55 C ATOM 1585 O ASP A 117 -21.095 3.827 -0.105 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.839 1.958 0.762 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.855 1.501 2.209 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.824 2.367 3.108 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.916 0.277 2.457 1.00 0.64 O ATOM 0 H ASP A 117 -25.347 3.817 0.086 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.955 3.742 1.563 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.843 1.871 0.346 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -23.195 1.296 0.183 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.560 3.130 -1.669 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.583 3.153 -2.750 1.00 0.56 C ATOM 1596 C GLU A 118 -21.105 4.576 -3.015 1.00 0.55 C ATOM 1597 O GLU A 118 -19.943 4.792 -3.356 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.169 2.550 -4.023 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.179 1.031 -4.024 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.793 0.432 -3.869 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.969 0.576 -4.800 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.524 -0.199 -2.821 1.00 0.70 O ATOM 0 H GLU A 118 -23.496 2.839 -1.952 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.728 2.550 -2.443 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.189 2.912 -4.151 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.595 2.902 -4.880 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.816 0.676 -3.213 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.621 0.676 -4.955 1.00 0.62 H new ATOM 1609 N GLU A 119 -22.004 5.541 -2.845 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.667 6.945 -3.046 1.00 0.59 C ATOM 1611 C GLU A 119 -20.526 7.352 -2.120 1.00 0.56 C ATOM 1612 O GLU A 119 -19.575 8.013 -2.540 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.890 7.829 -2.786 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.625 9.317 -2.967 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.611 9.735 -4.422 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.719 9.291 -5.171 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -23.498 10.513 -4.825 1.00 1.25 O ATOM 0 H GLU A 119 -22.972 5.375 -2.568 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.349 7.079 -4.080 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.693 7.528 -3.459 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.243 7.654 -1.770 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.390 9.885 -2.437 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.667 9.569 -2.511 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.616 6.930 -0.861 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.588 7.244 0.122 1.00 0.54 C ATOM 1626 C HIS A 120 -18.273 6.588 -0.276 1.00 0.51 C ATOM 1627 O HIS A 120 -17.215 7.208 -0.206 1.00 0.52 O ATOM 1628 CB HIS A 120 -20.015 6.777 1.518 1.00 0.55 C ATOM 1629 CG HIS A 120 -21.053 7.650 2.157 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -22.099 7.150 2.904 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -21.202 8.998 2.164 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.842 8.146 3.345 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -22.319 9.276 2.912 1.00 0.74 N ATOM 0 H HIS A 120 -21.389 6.371 -0.500 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.451 8.325 0.151 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.402 5.760 1.448 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -19.137 6.741 2.163 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.563 9.717 1.674 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.727 8.052 3.956 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.686 10.208 3.102 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.357 5.340 -0.722 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.183 4.588 -1.144 1.00 0.48 C ATOM 1644 C CYS A 121 -16.528 5.255 -2.350 1.00 0.48 C ATOM 1645 O CYS A 121 -15.301 5.382 -2.419 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.576 3.146 -1.489 1.00 0.49 C ATOM 1647 SG CYS A 121 -16.219 2.141 -2.140 1.00 0.48 S ATOM 0 H CYS A 121 -19.234 4.825 -0.801 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.467 4.573 -0.323 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.972 2.666 -0.594 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.382 3.167 -2.223 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.191 2.236 -1.350 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.358 5.690 -3.287 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.890 6.350 -4.495 1.00 0.54 C ATOM 1655 C ARG A 122 -16.151 7.640 -4.162 1.00 0.53 C ATOM 1656 O ARG A 122 -15.037 7.861 -4.633 1.00 0.54 O ATOM 1657 CB ARG A 122 -18.074 6.636 -5.421 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.707 7.377 -6.696 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.855 7.355 -7.692 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.150 7.556 -7.046 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.175 6.712 -7.141 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.071 5.596 -7.857 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.306 6.987 -6.514 1.00 1.52 N ATOM 0 H ARG A 122 -18.372 5.595 -3.231 1.00 0.51 H new ATOM 0 HA ARG A 122 -16.191 5.686 -5.004 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.548 5.691 -5.687 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.814 7.221 -4.875 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.447 8.409 -6.459 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.824 6.921 -7.144 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.700 8.132 -8.440 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.858 6.401 -8.219 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.277 8.399 -6.485 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.199 5.380 -8.340 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.863 4.957 -7.923 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.389 7.841 -5.962 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.096 6.345 -6.582 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.768 8.474 -3.329 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.162 9.740 -2.931 1.00 0.53 C ATOM 1679 C LYS A 123 -14.815 9.512 -2.252 1.00 0.51 C ATOM 1680 O LYS A 123 -13.851 10.243 -2.492 1.00 0.53 O ATOM 1681 CB LYS A 123 -17.088 10.510 -1.996 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.259 11.160 -2.704 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.918 12.210 -1.830 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.977 12.982 -2.597 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.065 14.399 -2.155 1.00 1.12 N ATOM 0 H LYS A 123 -17.684 8.296 -2.918 1.00 0.53 H new ATOM 0 HA LYS A 123 -16.001 10.329 -3.834 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.467 9.831 -1.233 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.513 11.279 -1.481 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.917 11.619 -3.632 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.990 10.399 -2.976 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.371 11.731 -0.962 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.162 12.900 -1.455 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.749 12.948 -3.662 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.945 12.500 -2.463 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -20.800 14.889 -2.704 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.308 14.433 -1.144 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.149 14.868 -2.307 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.751 8.490 -1.409 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.522 8.163 -0.707 1.00 0.46 C ATOM 1701 C VAL A 124 -12.425 7.785 -1.697 1.00 0.45 C ATOM 1702 O VAL A 124 -11.333 8.350 -1.670 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.729 7.005 0.298 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.397 6.477 0.816 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.595 7.457 1.461 1.00 0.50 C ATOM 0 H VAL A 124 -15.536 7.875 -1.196 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.222 9.051 -0.151 1.00 0.46 H new ATOM 0 HB VAL A 124 -14.235 6.196 -0.229 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.577 5.664 1.520 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.802 6.108 -0.020 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.858 7.280 1.319 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.730 6.629 2.157 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -14.111 8.288 1.974 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.567 7.779 1.087 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.748 6.859 -2.590 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.795 6.379 -3.585 1.00 0.48 C ATOM 1717 C ASN A 125 -11.318 7.512 -4.494 1.00 0.49 C ATOM 1718 O ASN A 125 -10.147 7.553 -4.878 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.424 5.268 -4.432 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.432 4.177 -4.791 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.220 4.374 -4.729 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -11.940 3.017 -5.170 1.00 0.77 N ATOM 0 H ASN A 125 -13.668 6.422 -2.646 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.932 5.983 -3.050 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.260 4.829 -3.887 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -12.831 5.699 -5.346 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -11.320 2.247 -5.423 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -12.952 2.892 -5.209 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.224 8.434 -4.819 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.909 9.564 -5.690 1.00 0.56 C ATOM 1731 C GLU A 126 -10.805 10.446 -5.108 1.00 0.55 C ATOM 1732 O GLU A 126 -9.753 10.635 -5.726 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.155 10.419 -5.931 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.077 9.875 -7.006 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.268 10.774 -7.248 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.066 11.986 -7.470 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -16.411 10.278 -7.222 1.00 1.27 O ATOM 0 H GLU A 126 -13.189 8.419 -4.489 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.555 9.147 -6.633 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.712 10.503 -4.998 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.844 11.426 -6.209 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.519 9.757 -7.935 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.426 8.884 -6.715 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.041 10.971 -3.914 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.082 11.862 -3.265 1.00 0.55 C ATOM 1746 C TYR A 127 -8.808 11.135 -2.831 1.00 0.52 C ATOM 1747 O TYR A 127 -7.763 11.758 -2.664 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.725 12.553 -2.063 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.797 13.555 -2.436 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.502 14.654 -3.232 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.103 13.401 -1.991 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.479 15.570 -3.575 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.085 14.312 -2.329 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.767 15.392 -3.120 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.743 16.298 -3.463 1.00 0.84 O ATOM 0 H TYR A 127 -11.888 10.797 -3.373 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.794 12.609 -4.004 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.160 11.796 -1.410 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.949 13.061 -1.490 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.493 14.795 -3.589 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.356 12.554 -1.370 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.234 16.419 -4.195 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.096 14.177 -1.974 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.596 16.028 -3.063 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.888 9.821 -2.663 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.722 9.042 -2.250 1.00 0.49 C ATOM 1767 C LEU A 128 -6.860 8.669 -3.451 1.00 0.53 C ATOM 1768 O LEU A 128 -5.856 7.968 -3.309 1.00 0.69 O ATOM 1769 CB LEU A 128 -8.140 7.771 -1.497 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.794 7.989 -0.127 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.750 6.706 0.688 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.124 9.125 0.630 1.00 0.44 C ATOM 0 H LEU A 128 -9.738 9.275 -2.804 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.136 9.668 -1.577 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.834 7.212 -2.125 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -7.258 7.145 -1.362 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.835 8.267 -0.290 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.218 6.875 1.658 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.288 5.920 0.158 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.713 6.402 0.833 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.610 9.255 1.597 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.071 8.889 0.782 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.210 10.047 0.054 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.251 9.131 -4.632 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.500 8.834 -5.846 1.00 0.59 C ATOM 1786 C ASN A 129 -6.165 10.106 -6.612 1.00 0.65 C ATOM 1787 O ASN A 129 -5.103 10.207 -7.232 1.00 0.78 O ATOM 1788 CB ASN A 129 -7.285 7.884 -6.752 1.00 0.64 C ATOM 1789 CG ASN A 129 -7.042 6.428 -6.413 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -6.064 5.831 -6.857 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.935 5.847 -5.633 1.00 0.89 N ATOM 0 H ASN A 129 -8.079 9.710 -4.775 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.570 8.353 -5.543 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -8.350 8.101 -6.666 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -7.006 8.064 -7.790 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -7.827 4.865 -5.377 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.733 6.380 -5.286 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.065 11.079 -6.575 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.858 12.335 -7.285 1.00 0.74 C ATOM 1800 C ASN A 130 -6.621 13.474 -6.305 1.00 0.80 C ATOM 1801 O ASN A 130 -7.469 14.389 -6.233 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.062 12.653 -8.177 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.368 11.546 -9.167 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.794 11.491 -10.253 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -9.274 10.654 -8.795 1.00 1.09 N ATOM 0 H ASN A 130 -7.945 11.024 -6.062 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.974 12.227 -7.913 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.937 12.826 -7.550 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.871 13.578 -8.721 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -9.519 9.885 -9.419 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.727 10.736 -7.885 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.704 -7.686 6.495 1.00 1.24 N ATOM 1814 CA ALA B 26 36.784 -7.548 7.645 1.00 1.15 C ATOM 1815 C ALA B 26 35.336 -7.644 7.181 1.00 1.06 C ATOM 1816 O ALA B 26 34.931 -6.930 6.260 1.00 1.08 O ATOM 1817 CB ALA B 26 37.028 -6.226 8.354 1.00 1.27 C ATOM 0 HA ALA B 26 36.975 -8.361 8.346 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.345 -6.135 9.199 1.00 1.27 H new ATOM 0 HB2 ALA B 26 38.057 -6.190 8.713 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.857 -5.404 7.659 1.00 1.27 H new ATOM 1825 N PRO B 27 34.538 -8.538 7.794 1.00 1.03 N ATOM 1826 CA PRO B 27 33.128 -8.714 7.433 1.00 0.98 C ATOM 1827 C PRO B 27 32.282 -7.504 7.823 1.00 0.96 C ATOM 1828 O PRO B 27 32.328 -7.045 8.964 1.00 1.05 O ATOM 1829 CB PRO B 27 32.691 -9.952 8.229 1.00 1.03 C ATOM 1830 CG PRO B 27 33.945 -10.572 8.744 1.00 1.15 C ATOM 1831 CD PRO B 27 34.938 -9.456 8.876 1.00 1.12 C ATOM 0 HA PRO B 27 32.998 -8.826 6.357 1.00 0.98 H new ATOM 0 HB2 PRO B 27 32.027 -9.675 9.048 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.142 -10.649 7.596 1.00 1.03 H new ATOM 0 HG2 PRO B 27 33.774 -11.057 9.705 1.00 1.15 H new ATOM 0 HG3 PRO B 27 34.310 -11.339 8.061 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.883 -8.978 9.854 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.962 -9.808 8.751 1.00 1.12 H new ATOM 1839 N ALA B 28 31.516 -6.986 6.874 1.00 0.95 N ATOM 1840 CA ALA B 28 30.672 -5.830 7.128 1.00 0.96 C ATOM 1841 C ALA B 28 29.197 -6.193 7.005 1.00 0.90 C ATOM 1842 O ALA B 28 28.351 -5.318 6.816 1.00 0.88 O ATOM 1843 CB ALA B 28 31.020 -4.699 6.168 1.00 1.04 C ATOM 0 H ALA B 28 31.462 -7.348 5.922 1.00 0.95 H new ATOM 0 HA ALA B 28 30.855 -5.494 8.149 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.380 -3.840 6.370 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.063 -4.414 6.304 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.866 -5.033 5.142 1.00 1.04 H new ATOM 1849 N GLU B 29 28.906 -7.485 7.150 1.00 0.93 N ATOM 1850 CA GLU B 29 27.544 -8.005 7.044 1.00 0.90 C ATOM 1851 C GLU B 29 26.999 -7.794 5.634 1.00 0.85 C ATOM 1852 O GLU B 29 26.341 -6.791 5.352 1.00 0.82 O ATOM 1853 CB GLU B 29 26.608 -7.359 8.073 1.00 0.91 C ATOM 1854 CG GLU B 29 26.890 -7.776 9.502 1.00 1.14 C ATOM 1855 CD GLU B 29 25.713 -7.517 10.417 1.00 1.10 C ATOM 1856 OE1 GLU B 29 25.562 -6.372 10.891 1.00 1.30 O ATOM 1857 OE2 GLU B 29 24.930 -8.456 10.659 1.00 1.29 O ATOM 0 H GLU B 29 29.607 -8.200 7.344 1.00 0.93 H new ATOM 0 HA GLU B 29 27.586 -9.074 7.255 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.693 -6.275 7.997 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.578 -7.616 7.826 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.140 -8.837 9.526 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.761 -7.235 9.871 1.00 1.14 H new ATOM 1864 N PRO B 30 27.273 -8.742 4.720 1.00 0.88 N ATOM 1865 CA PRO B 30 26.821 -8.671 3.329 1.00 0.88 C ATOM 1866 C PRO B 30 25.334 -8.986 3.169 1.00 0.82 C ATOM 1867 O PRO B 30 24.901 -9.461 2.117 1.00 0.85 O ATOM 1868 CB PRO B 30 27.669 -9.733 2.606 1.00 1.00 C ATOM 1869 CG PRO B 30 28.648 -10.243 3.612 1.00 1.07 C ATOM 1870 CD PRO B 30 28.062 -9.952 4.964 1.00 0.98 C ATOM 0 HA PRO B 30 26.942 -7.664 2.929 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.042 -10.541 2.229 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.183 -9.302 1.747 1.00 1.00 H new ATOM 0 HG2 PRO B 30 28.814 -11.313 3.484 1.00 1.07 H new ATOM 0 HG3 PRO B 30 29.615 -9.754 3.495 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.442 -10.774 5.322 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.836 -9.786 5.714 1.00 0.98 H new ATOM 1878 N LYS B 31 24.555 -8.721 4.207 1.00 0.78 N ATOM 1879 CA LYS B 31 23.125 -8.970 4.165 1.00 0.74 C ATOM 1880 C LYS B 31 22.432 -7.825 3.445 1.00 0.69 C ATOM 1881 O LYS B 31 21.988 -6.857 4.064 1.00 0.73 O ATOM 1882 CB LYS B 31 22.549 -9.142 5.572 1.00 0.76 C ATOM 1883 CG LYS B 31 22.925 -10.462 6.224 1.00 0.92 C ATOM 1884 CD LYS B 31 21.967 -10.832 7.344 1.00 1.11 C ATOM 1885 CE LYS B 31 20.635 -11.341 6.810 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.784 -12.631 6.084 1.00 1.45 N ATOM 0 H LYS B 31 24.891 -8.333 5.089 1.00 0.78 H new ATOM 0 HA LYS B 31 22.951 -9.899 3.622 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.897 -8.323 6.201 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.463 -9.067 5.523 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.927 -11.251 5.472 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.939 -10.396 6.620 1.00 0.92 H new ATOM 0 HD2 LYS B 31 22.422 -11.598 7.972 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.795 -9.961 7.977 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.937 -11.469 7.638 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.204 -10.596 6.141 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 19.853 -13.085 5.989 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.181 -12.454 5.139 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 21.422 -13.257 6.616 1.00 1.45 H new ATOM 1900 N ILE B 32 22.376 -7.936 2.130 1.00 0.68 N ATOM 1901 CA ILE B 32 21.759 -6.921 1.299 1.00 0.66 C ATOM 1902 C ILE B 32 20.289 -7.237 1.058 1.00 0.62 C ATOM 1903 O ILE B 32 19.952 -8.241 0.428 1.00 0.67 O ATOM 1904 CB ILE B 32 22.503 -6.794 -0.048 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.964 -6.408 0.199 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.824 -5.771 -0.944 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.845 -6.523 -1.027 1.00 1.20 C ATOM 0 H ILE B 32 22.755 -8.728 1.611 1.00 0.68 H new ATOM 0 HA ILE B 32 21.826 -5.969 1.826 1.00 0.66 H new ATOM 0 HB ILE B 32 22.474 -7.758 -0.556 1.00 0.71 H new ATOM 0 HG12 ILE B 32 24.001 -5.382 0.566 1.00 0.88 H new ATOM 0 HG13 ILE B 32 24.369 -7.043 0.986 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.365 -5.698 -1.888 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.797 -6.081 -1.137 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.822 -4.799 -0.450 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.864 -6.233 -0.771 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.840 -7.553 -1.383 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.466 -5.866 -1.810 1.00 1.20 H new ATOM 1919 N ILE B 33 19.421 -6.379 1.575 1.00 0.58 N ATOM 1920 CA ILE B 33 17.986 -6.557 1.422 1.00 0.56 C ATOM 1921 C ILE B 33 17.512 -5.936 0.114 1.00 0.54 C ATOM 1922 O ILE B 33 18.297 -5.309 -0.604 1.00 0.60 O ATOM 1923 CB ILE B 33 17.200 -5.941 2.601 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.649 -4.495 2.862 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.374 -6.795 3.849 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.855 -3.795 3.944 1.00 0.67 C ATOM 0 H ILE B 33 19.688 -5.550 2.106 1.00 0.58 H new ATOM 0 HA ILE B 33 17.793 -7.630 1.411 1.00 0.56 H new ATOM 0 HB ILE B 33 16.142 -5.920 2.339 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.703 -4.496 3.141 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.565 -3.926 1.936 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.816 -6.352 4.674 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.000 -7.801 3.657 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.431 -6.845 4.111 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.230 -2.779 4.071 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.803 -3.761 3.659 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.959 -4.340 4.882 1.00 0.67 H new ATOM 1938 N LYS B 34 16.237 -6.109 -0.191 1.00 0.53 N ATOM 1939 CA LYS B 34 15.674 -5.571 -1.416 1.00 0.53 C ATOM 1940 C LYS B 34 14.563 -4.576 -1.109 1.00 0.48 C ATOM 1941 O LYS B 34 13.696 -4.830 -0.275 1.00 0.57 O ATOM 1942 CB LYS B 34 15.139 -6.704 -2.292 1.00 0.58 C ATOM 1943 CG LYS B 34 16.230 -7.558 -2.919 1.00 0.76 C ATOM 1944 CD LYS B 34 15.654 -8.786 -3.603 1.00 0.87 C ATOM 1945 CE LYS B 34 16.633 -9.383 -4.601 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.918 -9.765 -3.960 1.00 1.31 N ATOM 0 H LYS B 34 15.573 -6.618 0.393 1.00 0.53 H new ATOM 0 HA LYS B 34 16.464 -5.048 -1.955 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.491 -7.342 -1.691 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.522 -6.279 -3.084 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.786 -6.964 -3.644 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.938 -7.867 -2.150 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.397 -9.534 -2.853 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.730 -8.518 -4.115 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.185 -10.261 -5.067 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.825 -8.663 -5.396 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.510 -10.274 -4.646 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.415 -8.909 -3.642 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.729 -10.380 -3.143 1.00 1.31 H new ATOM 1960 N VAL B 35 14.601 -3.442 -1.784 1.00 0.44 N ATOM 1961 CA VAL B 35 13.600 -2.407 -1.586 1.00 0.41 C ATOM 1962 C VAL B 35 13.028 -1.953 -2.927 1.00 0.42 C ATOM 1963 O VAL B 35 13.740 -1.411 -3.774 1.00 0.45 O ATOM 1964 CB VAL B 35 14.180 -1.200 -0.799 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.546 -0.796 -1.335 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.219 -0.019 -0.827 1.00 0.40 C ATOM 0 H VAL B 35 15.315 -3.213 -2.476 1.00 0.44 H new ATOM 0 HA VAL B 35 12.793 -2.832 -0.990 1.00 0.41 H new ATOM 0 HB VAL B 35 14.306 -1.512 0.238 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.925 0.051 -0.763 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.236 -1.635 -1.242 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.457 -0.515 -2.384 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.649 0.813 -0.269 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.048 0.286 -1.859 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.272 -0.310 -0.373 1.00 0.40 H new ATOM 1976 N THR B 36 11.744 -2.211 -3.125 1.00 0.41 N ATOM 1977 CA THR B 36 11.072 -1.828 -4.354 1.00 0.43 C ATOM 1978 C THR B 36 10.538 -0.401 -4.231 1.00 0.39 C ATOM 1979 O THR B 36 9.660 -0.127 -3.414 1.00 0.40 O ATOM 1980 CB THR B 36 9.915 -2.792 -4.672 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.324 -4.149 -4.437 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.468 -2.635 -6.116 1.00 0.57 C ATOM 0 H THR B 36 11.147 -2.685 -2.448 1.00 0.41 H new ATOM 0 HA THR B 36 11.794 -1.877 -5.169 1.00 0.43 H new ATOM 0 HB THR B 36 9.078 -2.550 -4.018 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.581 -4.755 -4.640 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.650 -3.325 -6.321 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.131 -1.612 -6.283 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.303 -2.855 -6.781 1.00 0.57 H new ATOM 1990 N VAL B 37 11.070 0.504 -5.042 1.00 0.41 N ATOM 1991 CA VAL B 37 10.666 1.902 -4.993 1.00 0.40 C ATOM 1992 C VAL B 37 9.718 2.259 -6.134 1.00 0.43 C ATOM 1993 O VAL B 37 10.070 2.165 -7.312 1.00 0.51 O ATOM 1994 CB VAL B 37 11.893 2.839 -5.040 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.466 4.292 -4.921 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.889 2.478 -3.947 1.00 0.46 C ATOM 0 H VAL B 37 11.782 0.295 -5.741 1.00 0.41 H new ATOM 0 HA VAL B 37 10.141 2.041 -4.048 1.00 0.40 H new ATOM 0 HB VAL B 37 12.384 2.708 -6.004 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.346 4.934 -4.956 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.800 4.544 -5.746 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.945 4.442 -3.975 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.745 3.150 -3.999 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.410 2.574 -2.972 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.226 1.451 -4.086 1.00 0.46 H new ATOM 2006 N LYS B 38 8.508 2.660 -5.768 1.00 0.41 N ATOM 2007 CA LYS B 38 7.505 3.064 -6.738 1.00 0.46 C ATOM 2008 C LYS B 38 7.606 4.566 -6.978 1.00 0.50 C ATOM 2009 O LYS B 38 7.348 5.371 -6.080 1.00 0.63 O ATOM 2010 CB LYS B 38 6.104 2.679 -6.249 1.00 0.51 C ATOM 2011 CG LYS B 38 5.843 1.181 -6.291 1.00 0.65 C ATOM 2012 CD LYS B 38 4.492 0.820 -5.696 1.00 0.80 C ATOM 2013 CE LYS B 38 3.340 1.335 -6.548 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.039 0.736 -6.145 1.00 1.38 N ATOM 0 H LYS B 38 8.198 2.714 -4.798 1.00 0.41 H new ATOM 0 HA LYS B 38 7.684 2.546 -7.680 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.973 3.035 -5.227 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.360 3.188 -6.862 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.888 0.834 -7.323 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.630 0.661 -5.745 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.416 -0.263 -5.599 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.415 1.236 -4.692 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.282 2.420 -6.462 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.535 1.108 -7.596 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.265 1.382 -6.401 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.908 -0.172 -6.635 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.033 0.578 -5.117 1.00 1.38 H new ATOM 2028 N THR B 39 7.975 4.935 -8.193 1.00 0.55 N ATOM 2029 CA THR B 39 8.156 6.331 -8.552 1.00 0.60 C ATOM 2030 C THR B 39 7.123 6.761 -9.589 1.00 0.65 C ATOM 2031 O THR B 39 6.450 5.913 -10.177 1.00 0.67 O ATOM 2032 CB THR B 39 9.573 6.552 -9.118 1.00 0.64 C ATOM 2033 OG1 THR B 39 10.046 5.347 -9.735 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.540 6.979 -8.023 1.00 0.68 C ATOM 0 H THR B 39 8.156 4.280 -8.954 1.00 0.55 H new ATOM 0 HA THR B 39 8.024 6.933 -7.653 1.00 0.60 H new ATOM 0 HB THR B 39 9.521 7.348 -9.861 1.00 0.64 H new ATOM 0 HG1 THR B 39 11.003 5.432 -9.929 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.531 7.128 -8.451 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.194 7.911 -7.575 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.588 6.205 -7.257 1.00 0.68 H new ATOM 2042 N PRO B 40 6.963 8.080 -9.814 1.00 0.71 N ATOM 2043 CA PRO B 40 6.016 8.606 -10.807 1.00 0.78 C ATOM 2044 C PRO B 40 6.511 8.384 -12.238 1.00 0.81 C ATOM 2045 O PRO B 40 6.567 9.314 -13.048 1.00 0.87 O ATOM 2046 CB PRO B 40 5.964 10.100 -10.484 1.00 0.83 C ATOM 2047 CG PRO B 40 7.276 10.403 -9.851 1.00 0.85 C ATOM 2048 CD PRO B 40 7.673 9.166 -9.101 1.00 0.73 C ATOM 0 HA PRO B 40 5.045 8.113 -10.757 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.814 10.694 -11.386 1.00 0.83 H new ATOM 0 HB3 PRO B 40 5.138 10.330 -9.810 1.00 0.83 H new ATOM 0 HG2 PRO B 40 8.022 10.658 -10.604 1.00 0.85 H new ATOM 0 HG3 PRO B 40 7.196 11.257 -9.179 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.753 9.017 -9.118 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.375 9.219 -8.054 1.00 0.73 H new ATOM 2056 N LYS B 41 6.856 7.141 -12.537 1.00 0.82 N ATOM 2057 CA LYS B 41 7.363 6.757 -13.841 1.00 0.87 C ATOM 2058 C LYS B 41 7.334 5.241 -13.966 1.00 0.84 C ATOM 2059 O LYS B 41 6.509 4.678 -14.684 1.00 0.92 O ATOM 2060 CB LYS B 41 8.799 7.258 -14.021 1.00 0.93 C ATOM 2061 CG LYS B 41 9.167 7.600 -15.455 1.00 1.13 C ATOM 2062 CD LYS B 41 8.816 9.041 -15.794 1.00 1.21 C ATOM 2063 CE LYS B 41 9.536 9.521 -17.044 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.003 9.647 -16.832 1.00 1.37 N ATOM 0 H LYS B 41 6.791 6.367 -11.876 1.00 0.82 H new ATOM 0 HA LYS B 41 6.735 7.203 -14.612 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.943 8.142 -13.400 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.486 6.496 -13.654 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.235 7.440 -15.606 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.645 6.928 -16.136 1.00 1.13 H new ATOM 0 HD2 LYS B 41 7.739 9.128 -15.939 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.077 9.685 -14.955 1.00 1.21 H new ATOM 0 HE2 LYS B 41 9.347 8.824 -17.861 1.00 1.44 H new ATOM 0 HE3 LYS B 41 9.130 10.486 -17.348 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.411 10.249 -17.575 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 11.184 10.075 -15.902 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.442 8.705 -16.871 1.00 1.37 H new ATOM 2078 N GLU B 42 8.224 4.591 -13.224 1.00 0.77 N ATOM 2079 CA GLU B 42 8.328 3.140 -13.234 1.00 0.75 C ATOM 2080 C GLU B 42 8.501 2.619 -11.809 1.00 0.70 C ATOM 2081 O GLU B 42 8.258 3.343 -10.840 1.00 0.73 O ATOM 2082 CB GLU B 42 9.505 2.701 -14.110 1.00 0.83 C ATOM 2083 CG GLU B 42 9.199 2.735 -15.599 1.00 1.03 C ATOM 2084 CD GLU B 42 10.413 2.430 -16.451 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.984 1.327 -16.307 1.00 1.28 O ATOM 2086 OE2 GLU B 42 10.806 3.292 -17.267 1.00 1.41 O ATOM 0 H GLU B 42 8.889 5.053 -12.603 1.00 0.77 H new ATOM 0 HA GLU B 42 7.411 2.722 -13.650 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.359 3.348 -13.908 1.00 0.83 H new ATOM 0 HB3 GLU B 42 9.798 1.689 -13.830 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.413 2.013 -15.821 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.812 3.719 -15.864 1.00 1.03 H new ATOM 2093 N LYS B 43 8.918 1.368 -11.684 1.00 0.68 N ATOM 2094 CA LYS B 43 9.119 0.755 -10.383 1.00 0.64 C ATOM 2095 C LYS B 43 10.398 -0.073 -10.393 1.00 0.63 C ATOM 2096 O LYS B 43 10.428 -1.185 -10.924 1.00 0.74 O ATOM 2097 CB LYS B 43 7.912 -0.115 -10.030 1.00 0.67 C ATOM 2098 CG LYS B 43 8.013 -0.788 -8.672 1.00 0.67 C ATOM 2099 CD LYS B 43 6.861 -1.757 -8.439 1.00 0.74 C ATOM 2100 CE LYS B 43 6.803 -2.829 -9.519 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.840 -3.907 -9.183 1.00 0.98 N ATOM 0 H LYS B 43 9.124 0.756 -12.473 1.00 0.68 H new ATOM 0 HA LYS B 43 9.219 1.533 -9.626 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.013 0.501 -10.053 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.793 -0.881 -10.796 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.960 -1.323 -8.600 1.00 0.67 H new ATOM 0 HG3 LYS B 43 8.015 -0.030 -7.889 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.973 -2.229 -7.463 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.920 -1.207 -8.421 1.00 0.74 H new ATOM 0 HE2 LYS B 43 6.520 -2.373 -10.467 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.795 -3.259 -9.656 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 5.832 -4.615 -9.945 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.124 -4.361 -8.291 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.888 -3.502 -9.077 1.00 0.98 H new ATOM 2115 N GLU B 44 11.450 0.476 -9.811 1.00 0.59 N ATOM 2116 CA GLU B 44 12.735 -0.204 -9.766 1.00 0.60 C ATOM 2117 C GLU B 44 13.028 -0.699 -8.358 1.00 0.56 C ATOM 2118 O GLU B 44 12.486 -0.177 -7.382 1.00 0.60 O ATOM 2119 CB GLU B 44 13.855 0.732 -10.238 1.00 0.64 C ATOM 2120 CG GLU B 44 14.629 0.204 -11.435 1.00 0.81 C ATOM 2121 CD GLU B 44 13.745 -0.031 -12.645 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.426 0.951 -13.350 1.00 1.21 O ATOM 2123 OE2 GLU B 44 13.365 -1.193 -12.896 1.00 1.24 O ATOM 0 H GLU B 44 11.441 1.392 -9.362 1.00 0.59 H new ATOM 0 HA GLU B 44 12.690 -1.063 -10.436 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.424 1.700 -10.494 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.548 0.899 -9.414 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.415 0.913 -11.696 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.120 -0.730 -11.162 1.00 0.81 H new ATOM 2130 N GLU B 45 13.878 -1.706 -8.258 1.00 0.56 N ATOM 2131 CA GLU B 45 14.241 -2.270 -6.970 1.00 0.53 C ATOM 2132 C GLU B 45 15.705 -1.979 -6.651 1.00 0.55 C ATOM 2133 O GLU B 45 16.593 -2.255 -7.457 1.00 0.64 O ATOM 2134 CB GLU B 45 13.986 -3.775 -6.980 1.00 0.57 C ATOM 2135 CG GLU B 45 14.288 -4.465 -5.661 1.00 0.58 C ATOM 2136 CD GLU B 45 14.291 -5.970 -5.795 1.00 0.76 C ATOM 2137 OE1 GLU B 45 15.318 -6.527 -6.240 1.00 0.99 O ATOM 2138 OE2 GLU B 45 13.259 -6.600 -5.474 1.00 0.94 O ATOM 0 H GLU B 45 14.331 -2.151 -9.056 1.00 0.56 H new ATOM 0 HA GLU B 45 13.628 -1.810 -6.195 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.943 -3.954 -7.241 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.593 -4.230 -7.763 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.258 -4.132 -5.292 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.546 -4.169 -4.919 1.00 0.58 H new ATOM 2145 N PHE B 46 15.943 -1.408 -5.481 1.00 0.51 N ATOM 2146 CA PHE B 46 17.296 -1.081 -5.052 1.00 0.54 C ATOM 2147 C PHE B 46 17.803 -2.132 -4.076 1.00 0.54 C ATOM 2148 O PHE B 46 17.022 -2.934 -3.560 1.00 0.54 O ATOM 2149 CB PHE B 46 17.341 0.301 -4.403 1.00 0.53 C ATOM 2150 CG PHE B 46 17.264 1.437 -5.384 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.040 1.868 -5.869 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.416 2.072 -5.819 1.00 0.78 C ATOM 2153 CE1 PHE B 46 15.967 2.913 -6.770 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.349 3.117 -6.720 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.123 3.538 -7.196 1.00 0.87 C ATOM 0 H PHE B 46 15.216 -1.160 -4.809 1.00 0.51 H new ATOM 0 HA PHE B 46 17.941 -1.069 -5.931 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.515 0.387 -3.697 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.263 0.392 -3.828 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.133 1.382 -5.539 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.377 1.746 -5.450 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.007 3.241 -7.141 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.254 3.604 -7.052 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.068 4.355 -7.900 1.00 0.87 H new ATOM 2165 N ALA B 47 19.102 -2.120 -3.819 1.00 0.57 N ATOM 2166 CA ALA B 47 19.704 -3.083 -2.911 1.00 0.60 C ATOM 2167 C ALA B 47 20.653 -2.397 -1.938 1.00 0.60 C ATOM 2168 O ALA B 47 21.608 -1.733 -2.348 1.00 0.66 O ATOM 2169 CB ALA B 47 20.433 -4.155 -3.704 1.00 0.69 C ATOM 0 H ALA B 47 19.759 -1.454 -4.226 1.00 0.57 H new ATOM 0 HA ALA B 47 18.911 -3.552 -2.328 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.882 -4.873 -3.018 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.727 -4.669 -4.356 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.214 -3.693 -4.308 1.00 0.69 H new ATOM 2175 N VAL B 48 20.378 -2.557 -0.651 1.00 0.57 N ATOM 2176 CA VAL B 48 21.198 -1.961 0.396 1.00 0.59 C ATOM 2177 C VAL B 48 21.394 -2.946 1.544 1.00 0.58 C ATOM 2178 O VAL B 48 20.520 -3.771 1.812 1.00 0.57 O ATOM 2179 CB VAL B 48 20.566 -0.663 0.956 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.724 0.487 -0.030 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.094 -0.876 1.299 1.00 0.56 C ATOM 0 H VAL B 48 19.587 -3.099 -0.304 1.00 0.57 H new ATOM 0 HA VAL B 48 22.159 -1.714 -0.056 1.00 0.59 H new ATOM 0 HB VAL B 48 21.095 -0.403 1.873 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.272 1.388 0.386 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.783 0.665 -0.215 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.230 0.233 -0.968 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.674 0.051 1.690 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.550 -1.171 0.401 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.005 -1.660 2.051 1.00 0.56 H new ATOM 2191 N PRO B 49 22.551 -2.897 2.222 1.00 0.62 N ATOM 2192 CA PRO B 49 22.834 -3.784 3.352 1.00 0.63 C ATOM 2193 C PRO B 49 22.051 -3.386 4.603 1.00 0.60 C ATOM 2194 O PRO B 49 21.612 -2.241 4.738 1.00 0.61 O ATOM 2195 CB PRO B 49 24.336 -3.611 3.571 1.00 0.69 C ATOM 2196 CG PRO B 49 24.662 -2.260 3.035 1.00 0.79 C ATOM 2197 CD PRO B 49 23.676 -1.988 1.927 1.00 0.67 C ATOM 0 HA PRO B 49 22.542 -4.815 3.152 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.590 -3.686 4.628 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.900 -4.386 3.052 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.585 -1.504 3.816 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.685 -2.228 2.660 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.357 -0.946 1.923 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.109 -2.193 0.948 1.00 0.67 H new ATOM 2205 N GLU B 50 21.880 -4.338 5.517 1.00 0.61 N ATOM 2206 CA GLU B 50 21.144 -4.099 6.757 1.00 0.61 C ATOM 2207 C GLU B 50 21.961 -3.282 7.762 1.00 0.67 C ATOM 2208 O GLU B 50 22.102 -3.665 8.925 1.00 1.01 O ATOM 2209 CB GLU B 50 20.721 -5.426 7.391 1.00 0.68 C ATOM 2210 CG GLU B 50 19.614 -6.143 6.638 1.00 0.86 C ATOM 2211 CD GLU B 50 18.838 -7.088 7.530 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.274 -8.248 7.700 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.799 -6.670 8.083 1.00 1.08 O ATOM 0 H GLU B 50 22.243 -5.287 5.422 1.00 0.61 H new ATOM 0 HA GLU B 50 20.258 -3.520 6.498 1.00 0.61 H new ATOM 0 HB2 GLU B 50 21.590 -6.082 7.451 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.390 -5.240 8.413 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.933 -5.408 6.210 1.00 0.86 H new ATOM 0 HG3 GLU B 50 20.044 -6.701 5.807 1.00 0.86 H new ATOM 2220 N ASN B 51 22.488 -2.155 7.305 1.00 0.67 N ATOM 2221 CA ASN B 51 23.278 -1.266 8.152 1.00 0.69 C ATOM 2222 C ASN B 51 23.483 0.080 7.472 1.00 0.71 C ATOM 2223 O ASN B 51 24.487 0.757 7.686 1.00 0.96 O ATOM 2224 CB ASN B 51 24.632 -1.894 8.519 1.00 0.76 C ATOM 2225 CG ASN B 51 25.407 -2.421 7.322 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.353 -1.867 6.223 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.143 -3.503 7.534 1.00 1.20 N ATOM 0 H ASN B 51 22.383 -1.831 6.344 1.00 0.67 H new ATOM 0 HA ASN B 51 22.722 -1.110 9.076 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.239 -1.150 9.035 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.465 -2.711 9.221 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.690 -3.905 6.773 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.162 -3.934 8.458 1.00 1.20 H new ATOM 2234 N SER B 52 22.517 0.473 6.658 1.00 0.65 N ATOM 2235 CA SER B 52 22.588 1.739 5.951 1.00 0.67 C ATOM 2236 C SER B 52 21.410 2.633 6.325 1.00 0.63 C ATOM 2237 O SER B 52 20.252 2.225 6.226 1.00 0.68 O ATOM 2238 CB SER B 52 22.622 1.493 4.443 1.00 0.71 C ATOM 2239 OG SER B 52 23.680 0.614 4.102 1.00 0.86 O ATOM 0 H SER B 52 21.673 -0.069 6.471 1.00 0.65 H new ATOM 0 HA SER B 52 23.505 2.252 6.243 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.672 1.070 4.117 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.746 2.440 3.918 1.00 0.71 H new ATOM 0 HG SER B 52 23.999 0.821 3.199 1.00 0.86 H new ATOM 2245 N SER B 53 21.713 3.847 6.765 1.00 0.65 N ATOM 2246 CA SER B 53 20.691 4.800 7.166 1.00 0.64 C ATOM 2247 C SER B 53 19.964 5.374 5.952 1.00 0.57 C ATOM 2248 O SER B 53 20.489 5.357 4.834 1.00 0.58 O ATOM 2249 CB SER B 53 21.339 5.921 7.977 1.00 0.75 C ATOM 2250 OG SER B 53 22.756 5.830 7.907 1.00 0.89 O ATOM 0 H SER B 53 22.668 4.196 6.853 1.00 0.65 H new ATOM 0 HA SER B 53 19.952 4.284 7.779 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.011 6.889 7.597 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.015 5.860 9.016 1.00 0.75 H new ATOM 0 HG SER B 53 23.157 6.556 8.430 1.00 0.89 H new ATOM 2256 N VAL B 54 18.764 5.895 6.181 1.00 0.54 N ATOM 2257 CA VAL B 54 17.957 6.475 5.116 1.00 0.49 C ATOM 2258 C VAL B 54 18.687 7.639 4.449 1.00 0.48 C ATOM 2259 O VAL B 54 18.594 7.821 3.239 1.00 0.47 O ATOM 2260 CB VAL B 54 16.595 6.971 5.641 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.717 7.469 4.502 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.883 5.872 6.401 1.00 0.58 C ATOM 0 H VAL B 54 18.327 5.927 7.102 1.00 0.54 H new ATOM 0 HA VAL B 54 17.786 5.685 4.385 1.00 0.49 H new ATOM 0 HB VAL B 54 16.784 7.803 6.319 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.763 7.813 4.902 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.215 8.294 3.992 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.543 6.658 3.795 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.924 6.242 6.763 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.717 5.021 5.740 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.495 5.560 7.248 1.00 0.58 H new ATOM 2272 N GLN B 55 19.429 8.409 5.244 1.00 0.53 N ATOM 2273 CA GLN B 55 20.183 9.555 4.732 1.00 0.58 C ATOM 2274 C GLN B 55 21.141 9.126 3.615 1.00 0.58 C ATOM 2275 O GLN B 55 21.395 9.876 2.670 1.00 0.64 O ATOM 2276 CB GLN B 55 20.964 10.212 5.868 1.00 0.67 C ATOM 2277 CG GLN B 55 21.407 11.629 5.556 1.00 0.88 C ATOM 2278 CD GLN B 55 21.988 12.332 6.764 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.608 11.706 7.625 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.792 13.638 6.835 1.00 1.23 N ATOM 0 H GLN B 55 19.525 8.260 6.249 1.00 0.53 H new ATOM 0 HA GLN B 55 19.476 10.274 4.317 1.00 0.58 H new ATOM 0 HB2 GLN B 55 20.345 10.222 6.765 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.842 9.606 6.093 1.00 0.67 H new ATOM 0 HG2 GLN B 55 22.151 11.607 4.759 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.556 12.199 5.182 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.272 14.116 6.099 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.160 14.167 7.626 1.00 1.23 H new ATOM 2289 N GLN B 56 21.652 7.908 3.731 1.00 0.56 N ATOM 2290 CA GLN B 56 22.575 7.353 2.749 1.00 0.60 C ATOM 2291 C GLN B 56 21.809 6.912 1.508 1.00 0.55 C ATOM 2292 O GLN B 56 22.233 7.160 0.376 1.00 0.62 O ATOM 2293 CB GLN B 56 23.318 6.159 3.357 1.00 0.65 C ATOM 2294 CG GLN B 56 24.403 5.579 2.467 1.00 0.80 C ATOM 2295 CD GLN B 56 25.792 5.978 2.917 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.369 5.354 3.809 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.346 7.010 2.299 1.00 1.27 N ATOM 0 H GLN B 56 21.440 7.278 4.505 1.00 0.56 H new ATOM 0 HA GLN B 56 23.298 8.117 2.465 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.766 6.467 4.302 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.596 5.376 3.587 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.323 4.492 2.463 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.246 5.914 1.442 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.834 7.500 1.565 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.285 7.315 2.557 1.00 1.27 H new ATOM 2306 N PHE B 57 20.664 6.281 1.737 1.00 0.50 N ATOM 2307 CA PHE B 57 19.816 5.784 0.661 1.00 0.49 C ATOM 2308 C PHE B 57 19.220 6.934 -0.152 1.00 0.47 C ATOM 2309 O PHE B 57 19.150 6.858 -1.379 1.00 0.49 O ATOM 2310 CB PHE B 57 18.702 4.912 1.246 1.00 0.48 C ATOM 2311 CG PHE B 57 17.880 4.187 0.216 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.490 3.441 -0.783 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.495 4.244 0.251 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.734 2.770 -1.725 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.735 3.575 -0.689 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.357 2.838 -1.678 1.00 0.64 C ATOM 0 H PHE B 57 20.298 6.100 2.672 1.00 0.50 H new ATOM 0 HA PHE B 57 20.429 5.185 -0.013 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.146 4.180 1.921 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.042 5.539 1.845 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.568 3.384 -0.824 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.004 4.819 1.023 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.221 2.193 -2.497 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.657 3.628 -0.651 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.765 2.315 -2.415 1.00 0.64 H new ATOM 2326 N LYS B 58 18.805 7.994 0.536 1.00 0.47 N ATOM 2327 CA LYS B 58 18.220 9.166 -0.117 1.00 0.48 C ATOM 2328 C LYS B 58 19.169 9.746 -1.161 1.00 0.49 C ATOM 2329 O LYS B 58 18.761 10.045 -2.282 1.00 0.53 O ATOM 2330 CB LYS B 58 17.891 10.249 0.917 1.00 0.53 C ATOM 2331 CG LYS B 58 16.703 9.921 1.810 1.00 0.62 C ATOM 2332 CD LYS B 58 16.608 10.888 2.987 1.00 0.70 C ATOM 2333 CE LYS B 58 15.855 12.156 2.615 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.127 13.271 3.565 1.00 1.01 N ATOM 0 H LYS B 58 18.863 8.067 1.552 1.00 0.47 H new ATOM 0 HA LYS B 58 17.304 8.842 -0.612 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.767 10.415 1.544 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.691 11.185 0.395 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.784 9.965 1.226 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.796 8.901 2.182 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.105 10.398 3.821 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.611 11.147 3.327 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.138 12.462 1.608 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.785 11.949 2.597 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.329 13.938 3.555 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.246 12.888 4.525 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 16.996 13.766 3.280 1.00 1.01 H new ATOM 2348 N GLU B 59 20.439 9.874 -0.789 1.00 0.51 N ATOM 2349 CA GLU B 59 21.448 10.431 -1.686 1.00 0.56 C ATOM 2350 C GLU B 59 21.716 9.504 -2.871 1.00 0.57 C ATOM 2351 O GLU B 59 22.144 9.954 -3.936 1.00 0.65 O ATOM 2352 CB GLU B 59 22.747 10.689 -0.924 1.00 0.63 C ATOM 2353 CG GLU B 59 23.434 11.984 -1.327 1.00 1.06 C ATOM 2354 CD GLU B 59 24.908 11.998 -0.985 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.705 11.406 -1.743 1.00 1.30 O ATOM 2356 OE2 GLU B 59 25.280 12.603 0.043 1.00 1.14 O ATOM 0 H GLU B 59 20.795 9.600 0.127 1.00 0.51 H new ATOM 0 HA GLU B 59 21.063 11.374 -2.074 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.534 10.716 0.145 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.430 9.856 -1.092 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.313 12.135 -2.400 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.943 12.820 -0.830 1.00 1.06 H new ATOM 2363 N ALA B 60 21.464 8.215 -2.682 1.00 0.55 N ATOM 2364 CA ALA B 60 21.679 7.236 -3.737 1.00 0.57 C ATOM 2365 C ALA B 60 20.576 7.330 -4.787 1.00 0.56 C ATOM 2366 O ALA B 60 20.823 7.184 -5.985 1.00 0.59 O ATOM 2367 CB ALA B 60 21.741 5.833 -3.153 1.00 0.59 C ATOM 0 H ALA B 60 21.111 7.824 -1.808 1.00 0.55 H new ATOM 0 HA ALA B 60 22.632 7.452 -4.220 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.902 5.112 -3.954 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.563 5.772 -2.439 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.803 5.608 -2.646 1.00 0.59 H new ATOM 2373 N ILE B 61 19.358 7.597 -4.330 1.00 0.52 N ATOM 2374 CA ILE B 61 18.219 7.710 -5.226 1.00 0.52 C ATOM 2375 C ILE B 61 18.327 8.959 -6.096 1.00 0.55 C ATOM 2376 O ILE B 61 18.090 8.902 -7.303 1.00 0.59 O ATOM 2377 CB ILE B 61 16.880 7.739 -4.458 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.747 6.497 -3.572 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.708 7.826 -5.430 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.514 6.507 -2.693 1.00 0.56 C ATOM 0 H ILE B 61 19.136 7.739 -3.345 1.00 0.52 H new ATOM 0 HA ILE B 61 18.234 6.824 -5.860 1.00 0.52 H new ATOM 0 HB ILE B 61 16.866 8.624 -3.821 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.724 5.610 -4.205 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.632 6.415 -2.941 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.772 7.845 -4.871 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.795 8.736 -6.024 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.718 6.959 -6.091 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.487 5.597 -2.094 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.544 7.374 -2.034 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.622 6.557 -3.318 1.00 0.56 H new ATOM 2392 N SER B 62 18.716 10.075 -5.493 1.00 0.55 N ATOM 2393 CA SER B 62 18.846 11.330 -6.225 1.00 0.59 C ATOM 2394 C SER B 62 19.992 11.278 -7.234 1.00 0.63 C ATOM 2395 O SER B 62 20.030 12.061 -8.185 1.00 0.70 O ATOM 2396 CB SER B 62 19.047 12.490 -5.250 1.00 0.61 C ATOM 2397 OG SER B 62 19.893 12.118 -4.177 1.00 0.70 O ATOM 0 H SER B 62 18.947 10.138 -4.501 1.00 0.55 H new ATOM 0 HA SER B 62 17.923 11.488 -6.783 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.478 13.341 -5.778 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.081 12.812 -4.860 1.00 0.61 H new ATOM 0 HG SER B 62 19.925 12.843 -3.519 1.00 0.70 H new ATOM 2403 N LYS B 63 20.915 10.346 -7.040 1.00 0.63 N ATOM 2404 CA LYS B 63 22.048 10.206 -7.940 1.00 0.69 C ATOM 2405 C LYS B 63 21.675 9.379 -9.168 1.00 0.71 C ATOM 2406 O LYS B 63 22.113 9.671 -10.281 1.00 0.82 O ATOM 2407 CB LYS B 63 23.222 9.557 -7.210 1.00 0.72 C ATOM 2408 CG LYS B 63 24.585 9.971 -7.741 1.00 0.84 C ATOM 2409 CD LYS B 63 24.811 11.468 -7.584 1.00 1.00 C ATOM 2410 CE LYS B 63 26.265 11.783 -7.271 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.150 11.589 -8.448 1.00 1.28 N ATOM 0 H LYS B 63 20.901 9.678 -6.269 1.00 0.63 H new ATOM 0 HA LYS B 63 22.340 11.201 -8.275 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.163 9.811 -6.152 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.128 8.474 -7.284 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.365 9.426 -7.209 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.666 9.698 -8.793 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.516 11.979 -8.500 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.175 11.851 -6.786 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.345 12.814 -6.925 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.605 11.146 -6.455 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.131 11.816 -8.186 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.096 10.600 -8.764 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.844 12.216 -9.219 1.00 1.28 H new ATOM 2425 N ARG B 64 20.854 8.358 -8.958 1.00 0.67 N ATOM 2426 CA ARG B 64 20.436 7.475 -10.044 1.00 0.70 C ATOM 2427 C ARG B 64 19.189 7.997 -10.757 1.00 0.70 C ATOM 2428 O ARG B 64 19.136 8.029 -11.985 1.00 0.75 O ATOM 2429 CB ARG B 64 20.169 6.065 -9.507 1.00 0.70 C ATOM 2430 CG ARG B 64 21.383 5.405 -8.867 1.00 0.72 C ATOM 2431 CD ARG B 64 22.357 4.876 -9.914 1.00 0.81 C ATOM 2432 NE ARG B 64 23.288 5.901 -10.383 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.446 6.185 -9.787 1.00 0.95 C ATOM 2434 NH1 ARG B 64 24.818 5.526 -8.696 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.238 7.122 -10.291 1.00 1.07 N ATOM 0 H ARG B 64 20.463 8.119 -8.047 1.00 0.67 H new ATOM 0 HA ARG B 64 21.249 7.445 -10.769 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.365 6.113 -8.772 1.00 0.70 H new ATOM 0 HB3 ARG B 64 19.816 5.437 -10.325 1.00 0.70 H new ATOM 0 HG2 ARG B 64 21.893 6.125 -8.227 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.056 4.585 -8.227 1.00 0.72 H new ATOM 0 HD2 ARG B 64 22.921 4.043 -9.493 1.00 0.81 H new ATOM 0 HD3 ARG B 64 21.796 4.484 -10.762 1.00 0.81 H new ATOM 0 HE ARG B 64 23.036 6.431 -11.217 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.217 4.798 -8.310 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.705 5.747 -8.244 1.00 1.05 H new ATOM 0 HH21 ARG B 64 24.961 7.625 -11.134 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.124 7.340 -9.835 1.00 1.07 H new ATOM 2449 N PHE B 65 18.191 8.412 -9.987 1.00 0.67 N ATOM 2450 CA PHE B 65 16.941 8.908 -10.554 1.00 0.68 C ATOM 2451 C PHE B 65 17.047 10.367 -10.964 1.00 0.70 C ATOM 2452 O PHE B 65 16.319 10.815 -11.850 1.00 0.75 O ATOM 2453 CB PHE B 65 15.794 8.740 -9.556 1.00 0.66 C ATOM 2454 CG PHE B 65 15.015 7.472 -9.748 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.484 6.273 -9.240 1.00 0.88 C ATOM 2456 CD2 PHE B 65 13.813 7.483 -10.437 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.769 5.104 -9.418 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.095 6.319 -10.617 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.572 5.127 -10.108 1.00 1.00 C ATOM 0 H PHE B 65 18.222 8.415 -8.967 1.00 0.67 H new ATOM 0 HA PHE B 65 16.737 8.317 -11.447 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.198 8.759 -8.544 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.117 9.590 -9.646 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.418 6.251 -8.699 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.434 8.412 -10.837 1.00 0.82 H new ATOM 0 HE1 PHE B 65 15.145 4.174 -9.018 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.159 6.340 -11.156 1.00 0.97 H new ATOM 0 HZ PHE B 65 13.011 4.215 -10.249 1.00 1.00 H new ATOM 2469 N LYS B 66 17.953 11.100 -10.318 1.00 0.68 N ATOM 2470 CA LYS B 66 18.155 12.525 -10.597 1.00 0.71 C ATOM 2471 C LYS B 66 16.889 13.322 -10.284 1.00 0.70 C ATOM 2472 O LYS B 66 16.364 14.042 -11.137 1.00 0.83 O ATOM 2473 CB LYS B 66 18.573 12.745 -12.057 1.00 0.79 C ATOM 2474 CG LYS B 66 19.924 12.145 -12.403 1.00 0.93 C ATOM 2475 CD LYS B 66 19.899 11.440 -13.750 1.00 1.05 C ATOM 2476 CE LYS B 66 19.806 12.421 -14.908 1.00 1.07 C ATOM 2477 NZ LYS B 66 19.603 11.721 -16.209 1.00 1.27 N ATOM 0 H LYS B 66 18.565 10.728 -9.591 1.00 0.68 H new ATOM 0 HA LYS B 66 18.959 12.881 -9.952 1.00 0.71 H new ATOM 0 HB2 LYS B 66 17.816 12.313 -12.711 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.598 13.815 -12.261 1.00 0.79 H new ATOM 0 HG2 LYS B 66 20.678 12.932 -12.418 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.217 11.437 -11.627 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.800 10.836 -13.859 1.00 1.05 H new ATOM 0 HD3 LYS B 66 19.050 10.757 -13.785 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.981 13.112 -14.734 1.00 1.07 H new ATOM 0 HE3 LYS B 66 20.717 13.017 -14.954 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.544 12.422 -16.975 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.402 11.080 -16.387 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 18.720 11.172 -16.174 1.00 1.27 H new ATOM 2491 N SER B 67 16.404 13.190 -9.056 1.00 0.66 N ATOM 2492 CA SER B 67 15.203 13.894 -8.633 1.00 0.68 C ATOM 2493 C SER B 67 15.520 14.913 -7.541 1.00 0.69 C ATOM 2494 O SER B 67 15.827 16.072 -7.828 1.00 0.90 O ATOM 2495 CB SER B 67 14.162 12.889 -8.140 1.00 0.68 C ATOM 2496 OG SER B 67 14.788 11.716 -7.633 1.00 1.34 O ATOM 0 H SER B 67 16.825 12.602 -8.337 1.00 0.66 H new ATOM 0 HA SER B 67 14.800 14.437 -9.488 1.00 0.68 H new ATOM 0 HB2 SER B 67 13.551 13.345 -7.361 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.491 12.624 -8.957 1.00 0.68 H new ATOM 0 HG SER B 67 14.103 11.088 -7.322 1.00 1.34 H new ATOM 2502 N GLN B 68 15.460 14.472 -6.291 1.00 0.59 N ATOM 2503 CA GLN B 68 15.734 15.330 -5.144 1.00 0.59 C ATOM 2504 C GLN B 68 16.259 14.490 -3.988 1.00 0.54 C ATOM 2505 O GLN B 68 16.263 13.264 -4.068 1.00 0.52 O ATOM 2506 CB GLN B 68 14.465 16.078 -4.716 1.00 0.64 C ATOM 2507 CG GLN B 68 14.299 17.435 -5.382 1.00 0.79 C ATOM 2508 CD GLN B 68 12.929 18.043 -5.150 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.923 17.334 -5.085 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.882 19.357 -5.013 1.00 1.09 N ATOM 0 H GLN B 68 15.221 13.512 -6.043 1.00 0.59 H new ATOM 0 HA GLN B 68 16.488 16.064 -5.427 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.596 15.462 -4.946 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.482 16.214 -3.635 1.00 0.64 H new ATOM 0 HG2 GLN B 68 15.062 18.116 -5.003 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.468 17.331 -6.454 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.739 19.907 -5.074 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.989 19.821 -4.847 1.00 1.09 H new ATOM 2519 N THR B 69 16.712 15.144 -2.926 1.00 0.56 N ATOM 2520 CA THR B 69 17.234 14.431 -1.768 1.00 0.56 C ATOM 2521 C THR B 69 16.535 14.861 -0.482 1.00 0.54 C ATOM 2522 O THR B 69 16.091 14.026 0.299 1.00 0.55 O ATOM 2523 CB THR B 69 18.750 14.652 -1.605 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.383 14.650 -2.885 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.363 13.562 -0.743 1.00 0.70 C ATOM 0 H THR B 69 16.729 16.160 -2.843 1.00 0.56 H new ATOM 0 HA THR B 69 17.040 13.373 -1.946 1.00 0.56 H new ATOM 0 HB THR B 69 18.903 15.616 -1.119 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.346 14.793 -2.774 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.434 13.738 -0.641 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.898 13.573 0.243 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.198 12.592 -1.211 1.00 0.70 H new ATOM 2533 N ASP B 70 16.425 16.166 -0.275 1.00 0.56 N ATOM 2534 CA ASP B 70 15.798 16.698 0.927 1.00 0.58 C ATOM 2535 C ASP B 70 14.301 16.403 0.955 1.00 0.55 C ATOM 2536 O ASP B 70 13.796 15.827 1.915 1.00 0.57 O ATOM 2537 CB ASP B 70 16.040 18.206 1.033 1.00 0.66 C ATOM 2538 CG ASP B 70 15.441 18.811 2.290 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.014 18.610 3.385 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.400 19.498 2.189 1.00 0.95 O ATOM 0 H ASP B 70 16.762 16.876 -0.925 1.00 0.56 H new ATOM 0 HA ASP B 70 16.254 16.203 1.784 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.113 18.399 1.018 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.615 18.700 0.159 1.00 0.66 H new ATOM 2545 N GLN B 71 13.602 16.767 -0.115 1.00 0.56 N ATOM 2546 CA GLN B 71 12.161 16.545 -0.199 1.00 0.58 C ATOM 2547 C GLN B 71 11.832 15.112 -0.615 1.00 0.54 C ATOM 2548 O GLN B 71 10.677 14.787 -0.876 1.00 0.66 O ATOM 2549 CB GLN B 71 11.527 17.527 -1.185 1.00 0.65 C ATOM 2550 CG GLN B 71 11.317 18.915 -0.604 1.00 0.83 C ATOM 2551 CD GLN B 71 10.861 19.921 -1.641 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.664 20.096 -1.869 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.810 20.596 -2.267 1.00 1.18 N ATOM 0 H GLN B 71 14.008 17.216 -0.936 1.00 0.56 H new ATOM 0 HA GLN B 71 11.748 16.711 0.796 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.161 17.603 -2.069 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.567 17.130 -1.515 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.577 18.862 0.194 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.248 19.260 -0.154 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.790 20.420 -2.048 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.562 21.293 -2.969 1.00 1.18 H new ATOM 2562 N LEU B 72 12.843 14.259 -0.660 1.00 0.51 N ATOM 2563 CA LEU B 72 12.648 12.866 -1.043 1.00 0.49 C ATOM 2564 C LEU B 72 12.096 12.071 0.137 1.00 0.43 C ATOM 2565 O LEU B 72 12.741 11.975 1.186 1.00 0.51 O ATOM 2566 CB LEU B 72 13.967 12.253 -1.521 1.00 0.57 C ATOM 2567 CG LEU B 72 13.823 11.090 -2.499 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.472 11.606 -3.886 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.099 10.263 -2.531 1.00 1.00 C ATOM 0 H LEU B 72 13.807 14.505 -0.436 1.00 0.51 H new ATOM 0 HA LEU B 72 11.930 12.827 -1.863 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.562 13.034 -1.994 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.526 11.909 -0.651 1.00 0.57 H new ATOM 0 HG LEU B 72 13.011 10.446 -2.161 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.373 10.765 -4.573 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.530 12.153 -3.843 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.261 12.270 -4.238 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.980 9.438 -3.233 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.932 10.891 -2.847 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.301 9.867 -1.536 1.00 1.00 H new ATOM 2581 N VAL B 73 10.901 11.519 -0.023 1.00 0.37 N ATOM 2582 CA VAL B 73 10.273 10.752 1.045 1.00 0.35 C ATOM 2583 C VAL B 73 9.810 9.390 0.553 1.00 0.30 C ATOM 2584 O VAL B 73 9.276 9.264 -0.552 1.00 0.31 O ATOM 2585 CB VAL B 73 9.041 11.475 1.637 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.981 11.302 3.149 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.027 12.946 1.257 1.00 0.55 C ATOM 0 H VAL B 73 10.349 11.587 -0.878 1.00 0.37 H new ATOM 0 HA VAL B 73 11.038 10.640 1.814 1.00 0.35 H new ATOM 0 HB VAL B 73 8.151 11.014 1.209 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.105 11.820 3.540 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.914 10.241 3.391 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.881 11.720 3.599 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.148 13.425 1.689 1.00 0.55 H new ATOM 0 HG22 VAL B 73 9.927 13.429 1.637 1.00 0.55 H new ATOM 0 HG23 VAL B 73 8.995 13.041 0.172 1.00 0.55 H new ATOM 2597 N LEU B 74 10.023 8.376 1.377 1.00 0.30 N ATOM 2598 CA LEU B 74 9.589 7.028 1.064 1.00 0.29 C ATOM 2599 C LEU B 74 8.296 6.769 1.824 1.00 0.28 C ATOM 2600 O LEU B 74 8.084 7.344 2.883 1.00 0.36 O ATOM 2601 CB LEU B 74 10.656 5.993 1.452 1.00 0.33 C ATOM 2602 CG LEU B 74 11.885 5.925 0.531 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.474 6.002 -0.932 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.875 7.032 0.867 1.00 0.64 C ATOM 0 H LEU B 74 10.498 8.465 2.275 1.00 0.30 H new ATOM 0 HA LEU B 74 9.429 6.933 -0.010 1.00 0.29 H new ATOM 0 HB2 LEU B 74 10.995 6.211 2.465 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.189 5.009 1.477 1.00 0.33 H new ATOM 0 HG LEU B 74 12.375 4.965 0.696 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.362 5.952 -1.562 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.813 5.168 -1.169 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.952 6.941 -1.114 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.736 6.964 0.203 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.394 8.002 0.739 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.205 6.924 1.900 1.00 0.64 H new ATOM 2616 N ILE B 75 7.422 5.936 1.294 1.00 0.29 N ATOM 2617 CA ILE B 75 6.154 5.670 1.957 1.00 0.33 C ATOM 2618 C ILE B 75 5.971 4.191 2.258 1.00 0.31 C ATOM 2619 O ILE B 75 6.066 3.350 1.367 1.00 0.36 O ATOM 2620 CB ILE B 75 4.962 6.153 1.104 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.103 7.643 0.768 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.645 5.887 1.819 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.273 8.540 1.978 1.00 0.74 C ATOM 0 H ILE B 75 7.561 5.435 0.416 1.00 0.29 H new ATOM 0 HA ILE B 75 6.179 6.223 2.896 1.00 0.33 H new ATOM 0 HB ILE B 75 4.963 5.591 0.170 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.961 7.775 0.108 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.221 7.964 0.213 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.818 6.235 1.200 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.538 4.817 1.999 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.634 6.418 2.771 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.366 9.576 1.653 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.405 8.440 2.630 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.171 8.249 2.523 1.00 0.74 H new ATOM 2635 N PHE B 76 5.691 3.886 3.518 1.00 0.31 N ATOM 2636 CA PHE B 76 5.466 2.513 3.942 1.00 0.35 C ATOM 2637 C PHE B 76 3.989 2.315 4.289 1.00 0.31 C ATOM 2638 O PHE B 76 3.640 1.917 5.402 1.00 0.40 O ATOM 2639 CB PHE B 76 6.368 2.163 5.133 1.00 0.48 C ATOM 2640 CG PHE B 76 6.304 0.719 5.546 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.359 -0.293 4.602 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.177 0.375 6.883 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.291 -1.621 4.984 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.109 -0.949 7.269 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.165 -1.948 6.322 1.00 0.78 C ATOM 0 H PHE B 76 5.614 4.575 4.266 1.00 0.31 H new ATOM 0 HA PHE B 76 5.722 1.839 3.124 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.399 2.413 4.881 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.088 2.786 5.983 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.456 -0.043 3.556 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.131 1.152 7.632 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.336 -2.401 4.239 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.012 -1.202 8.315 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.111 -2.984 6.624 1.00 0.78 H new ATOM 2655 N ALA B 77 3.132 2.631 3.319 1.00 0.40 N ATOM 2656 CA ALA B 77 1.679 2.496 3.457 1.00 0.48 C ATOM 2657 C ALA B 77 1.121 3.383 4.564 1.00 0.41 C ATOM 2658 O ALA B 77 1.021 2.969 5.718 1.00 0.44 O ATOM 2659 CB ALA B 77 1.290 1.045 3.698 1.00 0.62 C ATOM 0 H ALA B 77 3.426 2.990 2.410 1.00 0.40 H new ATOM 0 HA ALA B 77 1.239 2.829 2.517 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.207 0.970 3.797 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.620 0.435 2.857 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.764 0.688 4.613 1.00 0.62 H new ATOM 2665 N GLY B 78 0.754 4.608 4.201 1.00 0.46 N ATOM 2666 CA GLY B 78 0.193 5.531 5.168 1.00 0.54 C ATOM 2667 C GLY B 78 1.213 6.065 6.155 1.00 0.50 C ATOM 2668 O GLY B 78 0.847 6.637 7.179 1.00 0.63 O ATOM 0 H GLY B 78 0.836 4.977 3.254 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.262 6.368 4.638 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.605 5.030 5.717 1.00 0.54 H new ATOM 2672 N LYS B 79 2.488 5.913 5.838 1.00 0.42 N ATOM 2673 CA LYS B 79 3.547 6.369 6.726 1.00 0.43 C ATOM 2674 C LYS B 79 4.708 6.948 5.933 1.00 0.39 C ATOM 2675 O LYS B 79 5.159 6.350 4.951 1.00 0.43 O ATOM 2676 CB LYS B 79 4.041 5.207 7.597 1.00 0.50 C ATOM 2677 CG LYS B 79 3.900 5.461 9.088 1.00 0.72 C ATOM 2678 CD LYS B 79 2.481 5.870 9.447 1.00 1.16 C ATOM 2679 CE LYS B 79 2.449 6.764 10.672 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.106 7.364 10.882 1.00 2.02 N ATOM 0 H LYS B 79 2.815 5.479 4.975 1.00 0.42 H new ATOM 0 HA LYS B 79 3.141 7.152 7.366 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.485 4.307 7.336 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.089 5.012 7.368 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.172 4.561 9.640 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.595 6.244 9.393 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.028 6.391 8.604 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.881 4.979 9.631 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.730 6.185 11.552 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.188 7.557 10.563 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.129 7.982 11.718 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.841 7.923 10.046 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.407 6.608 11.029 1.00 2.02 H new ATOM 2694 N ILE B 80 5.179 8.114 6.358 1.00 0.37 N ATOM 2695 CA ILE B 80 6.293 8.778 5.696 1.00 0.39 C ATOM 2696 C ILE B 80 7.624 8.296 6.260 1.00 0.39 C ATOM 2697 O ILE B 80 7.827 8.271 7.473 1.00 0.61 O ATOM 2698 CB ILE B 80 6.217 10.312 5.831 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.934 10.717 7.279 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.157 10.870 4.900 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.244 12.170 7.570 1.00 1.18 C ATOM 0 H ILE B 80 4.805 8.620 7.161 1.00 0.37 H new ATOM 0 HA ILE B 80 6.225 8.520 4.639 1.00 0.39 H new ATOM 0 HB ILE B 80 7.182 10.731 5.547 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.885 10.525 7.503 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.523 10.087 7.946 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.114 11.954 5.006 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.407 10.615 3.870 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.187 10.442 5.155 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.020 12.388 8.614 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.299 12.362 7.377 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.636 12.807 6.928 1.00 1.18 H new ATOM 2713 N LEU B 81 8.512 7.897 5.373 1.00 0.30 N ATOM 2714 CA LEU B 81 9.828 7.412 5.751 1.00 0.34 C ATOM 2715 C LEU B 81 10.890 8.412 5.314 1.00 0.36 C ATOM 2716 O LEU B 81 10.962 8.788 4.141 1.00 0.46 O ATOM 2717 CB LEU B 81 10.101 6.047 5.112 1.00 0.44 C ATOM 2718 CG LEU B 81 9.675 4.824 5.926 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.189 4.871 6.241 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.025 3.549 5.173 1.00 0.78 C ATOM 0 H LEU B 81 8.343 7.899 4.367 1.00 0.30 H new ATOM 0 HA LEU B 81 9.862 7.300 6.835 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.592 6.012 4.149 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.170 5.970 4.911 1.00 0.44 H new ATOM 0 HG LEU B 81 10.216 4.833 6.872 1.00 0.57 H new ATOM 0 HD11 LEU B 81 7.912 3.990 6.820 1.00 1.01 H new ATOM 0 HD12 LEU B 81 7.968 5.769 6.818 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.620 4.887 5.311 1.00 1.01 H new ATOM 0 HD21 LEU B 81 9.718 2.684 5.760 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.507 3.539 4.214 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.101 3.510 5.004 1.00 0.78 H new ATOM 2732 N LYS B 82 11.710 8.835 6.257 1.00 0.39 N ATOM 2733 CA LYS B 82 12.764 9.796 5.979 1.00 0.47 C ATOM 2734 C LYS B 82 13.938 9.546 6.908 1.00 0.49 C ATOM 2735 O LYS B 82 14.054 8.472 7.491 1.00 0.63 O ATOM 2736 CB LYS B 82 12.241 11.226 6.164 1.00 0.54 C ATOM 2737 CG LYS B 82 12.367 12.098 4.923 1.00 0.94 C ATOM 2738 CD LYS B 82 11.736 13.466 5.145 1.00 1.01 C ATOM 2739 CE LYS B 82 11.400 14.152 3.831 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.498 15.314 4.033 1.00 1.35 N ATOM 0 H LYS B 82 11.667 8.527 7.228 1.00 0.39 H new ATOM 0 HA LYS B 82 13.091 9.677 4.946 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.193 11.183 6.460 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.784 11.697 6.983 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.419 12.218 4.665 1.00 0.94 H new ATOM 0 HG3 LYS B 82 11.885 11.605 4.079 1.00 0.94 H new ATOM 0 HD2 LYS B 82 10.829 13.356 5.740 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.419 14.093 5.718 1.00 1.01 H new ATOM 0 HE2 LYS B 82 12.319 14.484 3.349 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.927 13.437 3.158 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.901 15.441 3.191 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 9.895 15.145 4.863 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 11.066 16.172 4.187 1.00 1.35 H new ATOM 2754 N ASP B 83 14.790 10.545 7.066 1.00 0.60 N ATOM 2755 CA ASP B 83 15.957 10.441 7.935 1.00 0.68 C ATOM 2756 C ASP B 83 15.556 10.606 9.397 1.00 0.68 C ATOM 2757 O ASP B 83 16.398 10.818 10.269 1.00 0.89 O ATOM 2758 CB ASP B 83 17.003 11.494 7.545 1.00 0.88 C ATOM 2759 CG ASP B 83 16.384 12.823 7.167 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.697 12.888 6.120 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.581 13.812 7.904 1.00 1.52 O ATOM 0 H ASP B 83 14.696 11.447 6.600 1.00 0.60 H new ATOM 0 HA ASP B 83 16.394 9.450 7.810 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.691 11.642 8.378 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.592 11.121 6.707 1.00 0.88 H new ATOM 2766 N GLN B 84 14.256 10.509 9.652 1.00 0.60 N ATOM 2767 CA GLN B 84 13.724 10.623 11.003 1.00 0.67 C ATOM 2768 C GLN B 84 13.730 9.252 11.668 1.00 0.61 C ATOM 2769 O GLN B 84 13.844 9.139 12.889 1.00 0.81 O ATOM 2770 CB GLN B 84 12.300 11.190 10.984 1.00 0.77 C ATOM 2771 CG GLN B 84 12.156 12.467 10.170 1.00 0.93 C ATOM 2772 CD GLN B 84 10.779 13.096 10.293 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.793 12.413 10.578 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.701 14.398 10.060 1.00 1.28 N ATOM 0 H GLN B 84 13.548 10.351 8.935 1.00 0.60 H new ATOM 0 HA GLN B 84 14.354 11.308 11.570 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.624 10.436 10.581 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.984 11.386 12.009 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.908 13.186 10.495 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.357 12.248 9.121 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.542 14.926 9.827 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.800 14.873 10.113 1.00 1.28 H new ATOM 2783 N ASP B 85 13.610 8.217 10.846 1.00 0.52 N ATOM 2784 CA ASP B 85 13.606 6.839 11.316 1.00 0.51 C ATOM 2785 C ASP B 85 14.619 6.022 10.516 1.00 0.44 C ATOM 2786 O ASP B 85 15.371 6.580 9.715 1.00 0.48 O ATOM 2787 CB ASP B 85 12.204 6.227 11.197 1.00 0.61 C ATOM 2788 CG ASP B 85 11.788 5.941 9.766 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.548 6.905 9.002 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.671 4.748 9.406 1.00 0.86 O ATOM 0 H ASP B 85 13.513 8.310 9.835 1.00 0.52 H new ATOM 0 HA ASP B 85 13.888 6.824 12.369 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.171 5.300 11.769 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.480 6.906 11.649 1.00 0.61 H new ATOM 2795 N THR B 86 14.654 4.715 10.734 1.00 0.49 N ATOM 2796 CA THR B 86 15.592 3.860 10.027 1.00 0.47 C ATOM 2797 C THR B 86 14.869 2.878 9.103 1.00 0.42 C ATOM 2798 O THR B 86 13.966 2.153 9.525 1.00 0.41 O ATOM 2799 CB THR B 86 16.485 3.082 11.010 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.632 3.824 12.231 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.854 2.816 10.403 1.00 0.67 C ATOM 0 H THR B 86 14.046 4.227 11.392 1.00 0.49 H new ATOM 0 HA THR B 86 16.219 4.512 9.419 1.00 0.47 H new ATOM 0 HB THR B 86 16.008 2.125 11.222 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.200 3.322 12.852 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.467 2.265 11.116 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.740 2.228 9.492 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.337 3.764 10.165 1.00 0.67 H new ATOM 2809 N LEU B 87 15.288 2.860 7.840 1.00 0.43 N ATOM 2810 CA LEU B 87 14.696 1.986 6.829 1.00 0.42 C ATOM 2811 C LEU B 87 14.824 0.518 7.222 1.00 0.42 C ATOM 2812 O LEU B 87 13.878 -0.255 7.088 1.00 0.44 O ATOM 2813 CB LEU B 87 15.376 2.221 5.477 1.00 0.51 C ATOM 2814 CG LEU B 87 14.761 1.470 4.292 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.433 2.099 3.889 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.725 1.453 3.112 1.00 0.66 C ATOM 0 H LEU B 87 16.044 3.448 7.489 1.00 0.43 H new ATOM 0 HA LEU B 87 13.635 2.226 6.753 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.354 3.289 5.259 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.424 1.935 5.562 1.00 0.51 H new ATOM 0 HG LEU B 87 14.573 0.441 4.598 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.012 1.551 3.046 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.741 2.058 4.730 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.595 3.138 3.602 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.271 0.915 2.279 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.945 2.476 2.807 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.650 0.955 3.405 1.00 0.66 H new ATOM 2828 N ILE B 88 15.988 0.150 7.737 1.00 0.47 N ATOM 2829 CA ILE B 88 16.255 -1.225 8.143 1.00 0.53 C ATOM 2830 C ILE B 88 15.714 -1.522 9.542 1.00 0.54 C ATOM 2831 O ILE B 88 16.135 -2.482 10.187 1.00 0.66 O ATOM 2832 CB ILE B 88 17.768 -1.519 8.124 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.510 -0.544 9.045 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.308 -1.428 6.702 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.869 -1.041 9.486 1.00 0.91 C ATOM 0 H ILE B 88 16.769 0.789 7.885 1.00 0.47 H new ATOM 0 HA ILE B 88 15.744 -1.866 7.425 1.00 0.53 H new ATOM 0 HB ILE B 88 17.932 -2.533 8.490 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.631 0.409 8.529 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.898 -0.354 9.927 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.378 -1.638 6.705 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.797 -2.156 6.071 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.136 -0.425 6.311 1.00 0.67 H new ATOM 0 HD11 ILE B 88 20.335 -0.299 10.135 1.00 0.91 H new ATOM 0 HD12 ILE B 88 19.755 -1.978 10.030 1.00 0.91 H new ATOM 0 HD13 ILE B 88 20.498 -1.204 8.611 1.00 0.91 H new ATOM 2847 N GLN B 89 14.783 -0.702 10.012 1.00 0.48 N ATOM 2848 CA GLN B 89 14.212 -0.894 11.337 1.00 0.53 C ATOM 2849 C GLN B 89 12.706 -1.148 11.268 1.00 0.52 C ATOM 2850 O GLN B 89 12.167 -1.943 12.039 1.00 0.71 O ATOM 2851 CB GLN B 89 14.509 0.320 12.220 1.00 0.57 C ATOM 2852 CG GLN B 89 14.237 0.096 13.697 1.00 0.69 C ATOM 2853 CD GLN B 89 15.049 -1.052 14.262 1.00 0.82 C ATOM 2854 OE1 GLN B 89 16.201 -0.876 14.660 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.452 -2.229 14.309 1.00 0.89 N ATOM 0 H GLN B 89 14.410 0.097 9.499 1.00 0.48 H new ATOM 0 HA GLN B 89 14.676 -1.777 11.777 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.555 0.601 12.093 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.909 1.162 11.875 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.467 1.007 14.249 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.176 -0.106 13.843 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.496 -2.330 13.968 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.947 -3.037 14.686 1.00 0.89 H new ATOM 2864 N HIS B 90 12.027 -0.484 10.341 1.00 0.49 N ATOM 2865 CA HIS B 90 10.584 -0.649 10.206 1.00 0.51 C ATOM 2866 C HIS B 90 10.151 -0.588 8.745 1.00 0.50 C ATOM 2867 O HIS B 90 9.151 -1.198 8.365 1.00 0.75 O ATOM 2868 CB HIS B 90 9.855 0.426 11.020 1.00 0.59 C ATOM 2869 CG HIS B 90 8.357 0.327 10.973 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.561 1.253 10.333 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.512 -0.599 11.486 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.292 0.905 10.461 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.237 -0.215 11.152 1.00 1.10 N ATOM 0 H HIS B 90 12.446 0.168 9.677 1.00 0.49 H new ATOM 0 HA HIS B 90 10.319 -1.634 10.591 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.179 0.361 12.059 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.154 1.408 10.653 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.790 -1.476 12.052 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.445 1.447 10.066 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.384 -0.717 11.399 1.00 1.10 H new ATOM 2882 N GLY B 91 10.901 0.150 7.932 1.00 0.45 N ATOM 2883 CA GLY B 91 10.564 0.292 6.528 1.00 0.46 C ATOM 2884 C GLY B 91 10.686 -1.002 5.744 1.00 0.45 C ATOM 2885 O GLY B 91 9.687 -1.543 5.276 1.00 0.64 O ATOM 0 H GLY B 91 11.739 0.654 8.223 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.543 0.665 6.443 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.215 1.042 6.080 1.00 0.46 H new ATOM 2889 N ILE B 92 11.903 -1.498 5.602 1.00 0.38 N ATOM 2890 CA ILE B 92 12.136 -2.725 4.856 1.00 0.39 C ATOM 2891 C ILE B 92 12.665 -3.817 5.769 1.00 0.41 C ATOM 2892 O ILE B 92 13.765 -3.709 6.314 1.00 0.46 O ATOM 2893 CB ILE B 92 13.130 -2.505 3.695 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.687 -1.334 2.813 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.265 -3.777 2.864 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.368 -1.564 2.103 1.00 0.43 C ATOM 0 H ILE B 92 12.744 -1.072 5.992 1.00 0.38 H new ATOM 0 HA ILE B 92 11.177 -3.032 4.439 1.00 0.39 H new ATOM 0 HB ILE B 92 14.104 -2.261 4.120 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.605 -0.439 3.429 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.460 -1.140 2.069 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.969 -3.606 2.049 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.630 -4.587 3.495 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.293 -4.048 2.453 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.123 -0.691 1.499 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.449 -2.440 1.459 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.582 -1.728 2.840 1.00 0.43 H new ATOM 2908 N HIS B 93 11.872 -4.863 5.947 1.00 0.46 N ATOM 2909 CA HIS B 93 12.263 -5.983 6.793 1.00 0.52 C ATOM 2910 C HIS B 93 13.140 -6.959 6.014 1.00 0.54 C ATOM 2911 O HIS B 93 14.012 -7.618 6.583 1.00 0.66 O ATOM 2912 CB HIS B 93 11.025 -6.700 7.346 1.00 0.58 C ATOM 2913 CG HIS B 93 10.346 -5.957 8.460 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.024 -5.558 8.410 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.813 -5.542 9.663 1.00 1.25 C ATOM 2916 CE1 HIS B 93 8.716 -4.928 9.527 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.781 -4.905 10.301 1.00 1.10 N ATOM 0 H HIS B 93 10.952 -4.961 5.517 1.00 0.46 H new ATOM 0 HA HIS B 93 12.839 -5.594 7.633 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.312 -6.853 6.536 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.317 -7.687 7.704 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.812 -5.686 10.047 1.00 1.25 H new ATOM 0 HE1 HIS B 93 7.753 -4.503 9.766 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.830 -4.481 11.227 1.00 1.10 H new ATOM 2926 N ASP B 94 12.902 -7.034 4.710 1.00 0.58 N ATOM 2927 CA ASP B 94 13.656 -7.920 3.824 1.00 0.63 C ATOM 2928 C ASP B 94 13.407 -7.534 2.371 1.00 0.78 C ATOM 2929 O ASP B 94 14.341 -7.360 1.589 1.00 1.65 O ATOM 2930 CB ASP B 94 13.254 -9.380 4.052 1.00 0.67 C ATOM 2931 CG ASP B 94 14.120 -10.359 3.282 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.772 -10.688 2.129 1.00 1.08 O ATOM 2933 OD2 ASP B 94 15.137 -10.825 3.838 1.00 0.92 O ATOM 0 H ASP B 94 12.184 -6.486 4.236 1.00 0.58 H new ATOM 0 HA ASP B 94 14.717 -7.814 4.048 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.317 -9.607 5.116 1.00 0.67 H new ATOM 0 HB3 ASP B 94 12.213 -9.515 3.758 1.00 0.67 H new ATOM 2938 N GLY B 95 12.133 -7.387 2.029 1.00 0.57 N ATOM 2939 CA GLY B 95 11.751 -7.014 0.682 1.00 0.52 C ATOM 2940 C GLY B 95 10.338 -6.479 0.648 1.00 0.46 C ATOM 2941 O GLY B 95 9.375 -7.252 0.701 1.00 0.53 O ATOM 0 H GLY B 95 11.350 -7.521 2.669 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.439 -6.259 0.301 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.832 -7.880 0.024 1.00 0.52 H new ATOM 2945 N LEU B 96 10.208 -5.164 0.571 1.00 0.41 N ATOM 2946 CA LEU B 96 8.897 -4.533 0.560 1.00 0.40 C ATOM 2947 C LEU B 96 8.825 -3.428 -0.490 1.00 0.37 C ATOM 2948 O LEU B 96 9.803 -3.164 -1.196 1.00 0.41 O ATOM 2949 CB LEU B 96 8.570 -3.977 1.948 1.00 0.44 C ATOM 2950 CG LEU B 96 8.250 -5.034 3.011 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.486 -4.479 4.407 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.816 -5.522 2.864 1.00 0.70 C ATOM 0 H LEU B 96 10.992 -4.514 0.515 1.00 0.41 H new ATOM 0 HA LEU B 96 8.157 -5.289 0.298 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.415 -3.381 2.293 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.719 -3.302 1.861 1.00 0.44 H new ATOM 0 HG LEU B 96 8.918 -5.882 2.863 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.253 -5.245 5.147 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.530 -4.182 4.509 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.845 -3.612 4.567 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.607 -6.272 3.627 1.00 0.70 H new ATOM 0 HD22 LEU B 96 6.132 -4.682 2.984 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.681 -5.962 1.876 1.00 0.70 H new ATOM 2964 N THR B 97 7.668 -2.782 -0.578 1.00 0.39 N ATOM 2965 CA THR B 97 7.443 -1.722 -1.551 1.00 0.39 C ATOM 2966 C THR B 97 7.286 -0.363 -0.872 1.00 0.37 C ATOM 2967 O THR B 97 6.544 -0.231 0.103 1.00 0.46 O ATOM 2968 CB THR B 97 6.173 -2.016 -2.377 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.121 -2.469 -1.508 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.443 -3.069 -3.443 1.00 0.78 C ATOM 0 H THR B 97 6.865 -2.977 0.019 1.00 0.39 H new ATOM 0 HA THR B 97 8.315 -1.690 -2.204 1.00 0.39 H new ATOM 0 HB THR B 97 5.870 -1.094 -2.873 1.00 0.46 H new ATOM 0 HG1 THR B 97 5.136 -1.949 -0.677 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.531 -3.256 -4.009 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.222 -2.713 -4.117 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.770 -3.993 -2.967 1.00 0.78 H new ATOM 2978 N VAL B 98 7.983 0.642 -1.383 1.00 0.33 N ATOM 2979 CA VAL B 98 7.898 1.988 -0.833 1.00 0.31 C ATOM 2980 C VAL B 98 7.568 2.994 -1.928 1.00 0.30 C ATOM 2981 O VAL B 98 8.061 2.891 -3.052 1.00 0.36 O ATOM 2982 CB VAL B 98 9.199 2.419 -0.120 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.362 1.671 1.192 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.409 2.200 -1.013 1.00 0.34 C ATOM 0 H VAL B 98 8.615 0.551 -2.179 1.00 0.33 H new ATOM 0 HA VAL B 98 7.099 1.970 -0.091 1.00 0.31 H new ATOM 0 HB VAL B 98 9.128 3.485 0.096 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.284 1.988 1.679 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.515 1.888 1.842 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.405 0.599 0.997 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.311 2.512 -0.486 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.485 1.143 -1.270 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.300 2.788 -1.924 1.00 0.34 H new ATOM 2994 N HIS B 99 6.716 3.952 -1.601 1.00 0.29 N ATOM 2995 CA HIS B 99 6.315 4.983 -2.551 1.00 0.31 C ATOM 2996 C HIS B 99 7.239 6.185 -2.438 1.00 0.30 C ATOM 2997 O HIS B 99 7.669 6.536 -1.346 1.00 0.47 O ATOM 2998 CB HIS B 99 4.874 5.416 -2.287 1.00 0.38 C ATOM 2999 CG HIS B 99 4.028 5.499 -3.520 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.108 4.536 -3.863 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.962 6.441 -4.494 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.513 4.880 -4.987 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.010 6.029 -5.389 1.00 0.81 N ATOM 0 H HIS B 99 6.285 4.039 -0.680 1.00 0.29 H new ATOM 0 HA HIS B 99 6.383 4.572 -3.558 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.416 4.713 -1.591 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.882 6.390 -1.798 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.916 3.688 -3.330 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.549 7.345 -4.553 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.746 4.313 -5.493 1.00 0.81 H new ATOM 3012 N LEU B 100 7.552 6.809 -3.556 1.00 0.31 N ATOM 3013 CA LEU B 100 8.419 7.974 -3.544 1.00 0.32 C ATOM 3014 C LEU B 100 7.615 9.247 -3.776 1.00 0.32 C ATOM 3015 O LEU B 100 7.024 9.439 -4.841 1.00 0.40 O ATOM 3016 CB LEU B 100 9.510 7.834 -4.602 1.00 0.37 C ATOM 3017 CG LEU B 100 10.674 8.822 -4.469 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.998 8.129 -4.745 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.487 10.003 -5.411 1.00 0.91 C ATOM 0 H LEU B 100 7.222 6.532 -4.481 1.00 0.31 H new ATOM 0 HA LEU B 100 8.890 8.041 -2.563 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.908 6.820 -4.560 1.00 0.37 H new ATOM 0 HB3 LEU B 100 9.058 7.959 -5.586 1.00 0.37 H new ATOM 0 HG LEU B 100 10.687 9.197 -3.446 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.812 8.847 -4.646 1.00 0.85 H new ATOM 0 HD12 LEU B 100 12.140 7.318 -4.031 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.993 7.724 -5.757 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.324 10.692 -5.301 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.445 9.645 -6.440 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.558 10.519 -5.168 1.00 0.91 H new ATOM 3031 N VAL B 101 7.583 10.102 -2.767 1.00 0.30 N ATOM 3032 CA VAL B 101 6.873 11.371 -2.852 1.00 0.32 C ATOM 3033 C VAL B 101 7.846 12.520 -2.600 1.00 0.33 C ATOM 3034 O VAL B 101 9.022 12.284 -2.311 1.00 0.38 O ATOM 3035 CB VAL B 101 5.697 11.450 -1.857 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.608 10.459 -2.232 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.177 11.206 -0.435 1.00 0.52 C ATOM 0 H VAL B 101 8.044 9.940 -1.872 1.00 0.30 H new ATOM 0 HA VAL B 101 6.454 11.449 -3.855 1.00 0.32 H new ATOM 0 HB VAL B 101 5.277 12.454 -1.907 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.788 10.531 -1.517 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.238 10.686 -3.232 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.015 9.448 -2.216 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.331 11.266 0.250 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.628 10.216 -0.368 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.916 11.960 -0.166 1.00 0.52 H new ATOM 3047 N ILE B 102 7.364 13.751 -2.699 1.00 0.36 N ATOM 3048 CA ILE B 102 8.221 14.915 -2.499 1.00 0.41 C ATOM 3049 C ILE B 102 7.563 15.958 -1.603 1.00 0.51 C ATOM 3050 O ILE B 102 7.065 16.983 -2.078 1.00 0.79 O ATOM 3051 CB ILE B 102 8.627 15.581 -3.838 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.444 15.614 -4.821 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.829 14.865 -4.442 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.401 14.461 -5.805 1.00 1.32 C ATOM 0 H ILE B 102 6.392 13.971 -2.915 1.00 0.36 H new ATOM 0 HA ILE B 102 9.119 14.540 -2.009 1.00 0.41 H new ATOM 0 HB ILE B 102 8.912 16.614 -3.637 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.516 15.620 -4.250 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.481 16.549 -5.380 1.00 0.71 H new ATOM 0 HG21 ILE B 102 10.103 15.344 -5.382 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.669 14.917 -3.750 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.576 13.821 -4.627 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.534 14.570 -6.456 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.309 14.463 -6.408 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.329 13.520 -5.260 1.00 1.32 H new ATOM 3066 N LYS B 103 7.566 15.698 -0.305 1.00 0.59 N ATOM 3067 CA LYS B 103 6.979 16.618 0.657 1.00 0.76 C ATOM 3068 C LYS B 103 7.856 16.728 1.897 1.00 0.91 C ATOM 3069 O LYS B 103 8.417 15.700 2.325 1.00 1.07 O ATOM 3070 CB LYS B 103 5.565 16.177 1.045 1.00 0.86 C ATOM 3071 CG LYS B 103 4.484 16.738 0.137 1.00 1.00 C ATOM 3072 CD LYS B 103 4.335 18.239 0.321 1.00 1.15 C ATOM 3073 CE LYS B 103 3.641 18.880 -0.870 1.00 1.32 C ATOM 3074 NZ LYS B 103 3.927 20.336 -0.952 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.967 17.841 2.450 1.00 1.20 O ATOM 0 H LYS B 103 7.969 14.856 0.107 1.00 0.59 H new ATOM 0 HA LYS B 103 6.914 17.599 0.187 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.515 15.088 1.027 1.00 0.86 H new ATOM 0 HB3 LYS B 103 5.365 16.488 2.070 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.729 16.519 -0.902 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.535 16.247 0.351 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.765 18.441 1.228 1.00 1.15 H new ATOM 0 HD3 LYS B 103 5.318 18.689 0.456 1.00 1.15 H new ATOM 0 HE2 LYS B 103 3.968 18.392 -1.788 1.00 1.32 H new ATOM 0 HE3 LYS B 103 2.565 18.724 -0.792 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 3.438 20.740 -1.776 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 3.592 20.805 -0.086 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 4.952 20.483 -1.051 1.00 1.74 H new TER 3089 LYS B 103