USER MOD reduce.3.24.130724 H: found=0, std=0, add=1174, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1175 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 119 LYS NZ :NH3+ 150:sc= 1.75 (180deg=-0.212) USER MOD Set 1.2: B 121 GLN : amide:sc= 1.03 K(o=2.8,f=-13!) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -0.436 K(o=-1.2,f=-13!) USER MOD Set 2.2: B 109 GLN : amide:sc= -0.736! X(o=-1.2!,f=-1.5) USER MOD Set 3.1: B 99 LYS NZ :NH3+ 149:sc= 2.21 (180deg=0.0762) USER MOD Set 3.2: B 100 ASN : amide:sc= 0.764 K(o=3,f=-5.8) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -114:sc= 1.81 (180deg=-3.2!) USER MOD Set 4.2: A 66 THR OG1 : rot 55:sc= 1.9 USER MOD Single : A 1 MET CE :methyl 143:sc= 0 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ 138:sc= 1.51 (180deg=0.47) USER MOD Single : A 2 GLN : amide:sc= 0.257 K(o=0.26,f=-0.41) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.644 USER MOD Single : A 11 LYS NZ :NH3+ 134:sc= -0.123 (180deg=-0.532) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.232 USER MOD Single : A 20 SER OG : rot 180:sc= 0.104 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 25 ASN : amide:sc= 0.707 K(o=0.71,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 1.29 (180deg=0.448) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= 1.14 (180deg=-1.24!) USER MOD Single : A 40 GLN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.1! C(o=-2.1!,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.667 K(o=0.67,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -58:sc= 0.881 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.703 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 62 GLN : amide:sc= -0.0983 K(o=-0.098,f=-3.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.32 USER MOD Single : B 56 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.07) USER MOD Single : B 59 TYR OH : rot 180:sc= -0.151 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 0.459 K(o=0.46,f=-5.1!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ -160:sc= 0.935 (180deg=0.691) USER MOD Single : B 83 TYR OH : rot -22:sc= 0.387 USER MOD Single : B 84 ASN : amide:sc= 0.729 K(o=0.73,f=-0.95) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.185 USER MOD Single : B 86 SER OG : rot 180:sc= 0.0111 USER MOD Single : B 92 THR OG1 : rot -74:sc= 1.22 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 98 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.77) USER MOD Single : B 103 ASN : amide:sc= 0.422 K(o=0.42,f=-4.9!) USER MOD Single : B 105 MET CE :methyl -148:sc= -0.126 (180deg=-0.739) USER MOD Single : B 112 LYS NZ :NH3+ -144:sc= 0.887 (180deg=-0.863!) USER MOD Single : B 117 ASN : amide:sc=-0.000855 X(o=-0.00086,f=0) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0.00853 USER MOD Single : B 122 MET CE :methyl 161:sc= -0.19 (180deg=-0.814) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.120 6.314 -8.476 1.00 1.33 N ATOM 2 CA MET A 1 -18.810 6.839 -8.918 1.00 1.28 C ATOM 3 C MET A 1 -17.832 5.696 -9.150 1.00 1.15 C ATOM 4 O MET A 1 -17.854 4.692 -8.441 1.00 1.19 O ATOM 5 CB MET A 1 -18.231 7.817 -7.887 1.00 1.53 C ATOM 6 CG MET A 1 -17.958 7.196 -6.525 1.00 1.58 C ATOM 7 SD MET A 1 -16.754 8.132 -5.563 1.00 1.88 S ATOM 8 CE MET A 1 -17.603 9.696 -5.371 1.00 1.44 C ATOM 0 H1 MET A 1 -20.492 6.910 -7.710 1.00 1.33 H new ATOM 0 H2 MET A 1 -20.785 6.323 -9.276 1.00 1.33 H new ATOM 0 H3 MET A 1 -20.005 5.339 -8.132 1.00 1.33 H new ATOM 0 HA MET A 1 -18.963 7.375 -9.854 1.00 1.28 H new ATOM 0 HB2 MET A 1 -17.302 8.232 -8.278 1.00 1.53 H new ATOM 0 HB3 MET A 1 -18.924 8.649 -7.762 1.00 1.53 H new ATOM 0 HG2 MET A 1 -18.892 7.130 -5.966 1.00 1.58 H new ATOM 0 HG3 MET A 1 -17.596 6.177 -6.661 1.00 1.58 H new ATOM 0 HE1 MET A 1 -17.399 10.102 -4.380 1.00 1.44 H new ATOM 0 HE2 MET A 1 -17.252 10.396 -6.129 1.00 1.44 H new ATOM 0 HE3 MET A 1 -18.676 9.544 -5.487 1.00 1.44 H new ATOM 20 N GLN A 2 -16.982 5.853 -10.148 1.00 1.16 N ATOM 21 CA GLN A 2 -15.994 4.841 -10.473 1.00 1.06 C ATOM 22 C GLN A 2 -14.695 5.126 -9.730 1.00 1.00 C ATOM 23 O GLN A 2 -14.168 6.236 -9.790 1.00 1.13 O ATOM 24 CB GLN A 2 -15.744 4.819 -11.983 1.00 1.18 C ATOM 25 CG GLN A 2 -14.801 3.715 -12.430 1.00 1.27 C ATOM 26 CD GLN A 2 -15.519 2.582 -13.136 1.00 1.41 C ATOM 27 OE1 GLN A 2 -15.720 2.622 -14.347 1.00 1.59 O ATOM 28 NE2 GLN A 2 -15.905 1.563 -12.387 1.00 1.75 N ATOM 0 H GLN A 2 -16.956 6.676 -10.750 1.00 1.16 H new ATOM 0 HA GLN A 2 -16.370 3.865 -10.165 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -16.697 4.701 -12.498 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -15.333 5.781 -12.288 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -14.048 4.134 -13.097 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -14.273 3.320 -11.562 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -15.719 1.568 -11.384 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -16.389 0.772 -12.812 1.00 1.75 H new ATOM 37 N ILE A 3 -14.193 4.133 -9.013 1.00 0.88 N ATOM 38 CA ILE A 3 -12.950 4.290 -8.269 1.00 0.82 C ATOM 39 C ILE A 3 -11.939 3.233 -8.685 1.00 0.81 C ATOM 40 O ILE A 3 -12.308 2.179 -9.216 1.00 0.85 O ATOM 41 CB ILE A 3 -13.158 4.224 -6.735 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.748 2.870 -6.307 1.00 0.68 C ATOM 43 CG2 ILE A 3 -14.032 5.382 -6.261 1.00 0.82 C ATOM 44 CD1 ILE A 3 -15.261 2.786 -6.386 1.00 1.10 C ATOM 0 H ILE A 3 -14.624 3.212 -8.930 1.00 0.88 H new ATOM 0 HA ILE A 3 -12.571 5.283 -8.511 1.00 0.82 H new ATOM 0 HB ILE A 3 -12.182 4.318 -6.259 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -13.321 2.088 -6.935 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -13.439 2.661 -5.283 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -14.166 5.318 -5.181 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -13.551 6.327 -6.511 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -15.004 5.329 -6.751 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -15.588 1.797 -6.066 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -15.702 3.542 -5.736 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.582 2.959 -7.413 1.00 1.10 H new ATOM 56 N PHE A 4 -10.670 3.523 -8.452 1.00 0.80 N ATOM 57 CA PHE A 4 -9.600 2.606 -8.799 1.00 0.81 C ATOM 58 C PHE A 4 -8.868 2.163 -7.541 1.00 0.75 C ATOM 59 O PHE A 4 -8.274 2.980 -6.833 1.00 0.82 O ATOM 60 CB PHE A 4 -8.619 3.266 -9.776 1.00 0.87 C ATOM 61 CG PHE A 4 -9.126 3.338 -11.191 1.00 0.99 C ATOM 62 CD1 PHE A 4 -9.953 4.373 -11.597 1.00 1.00 C ATOM 63 CD2 PHE A 4 -8.771 2.369 -12.116 1.00 1.30 C ATOM 64 CE1 PHE A 4 -10.419 4.438 -12.897 1.00 1.14 C ATOM 65 CE2 PHE A 4 -9.232 2.430 -13.415 1.00 1.45 C ATOM 66 CZ PHE A 4 -10.058 3.465 -13.806 1.00 1.30 C ATOM 0 H PHE A 4 -10.355 4.392 -8.021 1.00 0.80 H new ATOM 0 HA PHE A 4 -10.034 1.732 -9.285 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -8.398 4.275 -9.428 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -7.681 2.711 -9.764 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -10.237 5.138 -10.890 1.00 1.00 H new ATOM 0 HD2 PHE A 4 -8.126 1.556 -11.816 1.00 1.30 H new ATOM 0 HE1 PHE A 4 -11.064 5.249 -13.200 1.00 1.14 H new ATOM 0 HE2 PHE A 4 -8.947 1.668 -14.126 1.00 1.45 H new ATOM 0 HZ PHE A 4 -10.421 3.513 -14.822 1.00 1.30 H new ATOM 76 N VAL A 5 -8.917 0.872 -7.258 1.00 0.66 N ATOM 77 CA VAL A 5 -8.261 0.331 -6.079 1.00 0.60 C ATOM 78 C VAL A 5 -6.965 -0.386 -6.457 1.00 0.60 C ATOM 79 O VAL A 5 -6.943 -1.253 -7.333 1.00 0.67 O ATOM 80 CB VAL A 5 -9.201 -0.616 -5.291 1.00 0.60 C ATOM 81 CG1 VAL A 5 -9.772 -1.707 -6.183 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.479 -1.223 -4.099 1.00 0.56 C ATOM 0 H VAL A 5 -9.403 0.180 -7.828 1.00 0.66 H new ATOM 0 HA VAL A 5 -8.012 1.169 -5.428 1.00 0.60 H new ATOM 0 HB VAL A 5 -10.035 -0.018 -4.924 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.426 -2.352 -5.596 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.342 -1.253 -6.994 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -8.958 -2.300 -6.600 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -9.158 -1.884 -3.560 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.617 -1.793 -4.447 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -8.143 -0.428 -3.433 1.00 0.56 H new ATOM 92 N LYS A 6 -5.884 0.006 -5.804 1.00 0.58 N ATOM 93 CA LYS A 6 -4.581 -0.575 -6.048 1.00 0.63 C ATOM 94 C LYS A 6 -4.274 -1.631 -4.994 1.00 0.62 C ATOM 95 O LYS A 6 -4.333 -1.361 -3.790 1.00 0.59 O ATOM 96 CB LYS A 6 -3.501 0.508 -6.028 1.00 0.69 C ATOM 97 CG LYS A 6 -3.725 1.618 -7.043 1.00 1.21 C ATOM 98 CD LYS A 6 -2.775 2.784 -6.810 1.00 1.24 C ATOM 99 CE LYS A 6 -3.058 3.936 -7.763 1.00 1.27 C ATOM 100 NZ LYS A 6 -2.315 5.171 -7.390 1.00 1.38 N ATOM 0 H LYS A 6 -5.888 0.735 -5.091 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.589 -1.044 -7.032 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -3.456 0.945 -5.030 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -2.532 0.045 -6.217 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -3.582 1.226 -8.050 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.755 1.968 -6.980 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.869 3.131 -5.781 1.00 1.24 H new ATOM 0 HD3 LYS A 6 -1.746 2.448 -6.940 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -2.785 3.642 -8.776 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -4.128 4.146 -7.769 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -2.989 5.907 -7.099 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -1.668 4.963 -6.603 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -1.767 5.507 -8.208 1.00 1.38 H new ATOM 114 N THR A 7 -3.960 -2.829 -5.447 1.00 0.66 N ATOM 115 CA THR A 7 -3.643 -3.930 -4.558 1.00 0.67 C ATOM 116 C THR A 7 -2.198 -3.826 -4.074 1.00 0.73 C ATOM 117 O THR A 7 -1.397 -3.081 -4.645 1.00 0.74 O ATOM 118 CB THR A 7 -3.854 -5.277 -5.270 1.00 0.71 C ATOM 119 OG1 THR A 7 -4.731 -5.095 -6.390 1.00 0.96 O ATOM 120 CG2 THR A 7 -4.445 -6.309 -4.323 1.00 0.94 C ATOM 0 H THR A 7 -3.917 -3.066 -6.438 1.00 0.66 H new ATOM 0 HA THR A 7 -4.311 -3.875 -3.699 1.00 0.67 H new ATOM 0 HB THR A 7 -2.885 -5.641 -5.612 1.00 0.71 H new ATOM 0 HG1 THR A 7 -4.864 -5.953 -6.844 1.00 0.96 H new ATOM 0 HG21 THR A 7 -4.584 -7.252 -4.853 1.00 0.94 H new ATOM 0 HG22 THR A 7 -3.768 -6.461 -3.482 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.408 -5.955 -3.954 1.00 0.94 H new ATOM 128 N LEU A 8 -1.874 -4.579 -3.030 1.00 0.81 N ATOM 129 CA LEU A 8 -0.532 -4.582 -2.448 1.00 0.90 C ATOM 130 C LEU A 8 0.547 -4.934 -3.476 1.00 0.96 C ATOM 131 O LEU A 8 1.686 -4.493 -3.364 1.00 1.02 O ATOM 132 CB LEU A 8 -0.480 -5.574 -1.284 1.00 0.98 C ATOM 133 CG LEU A 8 0.857 -5.646 -0.543 1.00 1.11 C ATOM 134 CD1 LEU A 8 1.097 -4.369 0.252 1.00 1.20 C ATOM 135 CD2 LEU A 8 0.897 -6.861 0.372 1.00 1.24 C ATOM 0 H LEU A 8 -2.530 -5.204 -2.562 1.00 0.81 H new ATOM 0 HA LEU A 8 -0.326 -3.572 -2.092 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -1.259 -5.310 -0.569 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.720 -6.567 -1.664 1.00 0.98 H new ATOM 0 HG LEU A 8 1.653 -5.746 -1.281 1.00 1.11 H new ATOM 0 HD11 LEU A 8 2.052 -4.438 0.772 1.00 1.20 H new ATOM 0 HD12 LEU A 8 1.114 -3.516 -0.426 1.00 1.20 H new ATOM 0 HD13 LEU A 8 0.296 -4.238 0.980 1.00 1.20 H new ATOM 0 HD21 LEU A 8 1.855 -6.895 0.890 1.00 1.24 H new ATOM 0 HD22 LEU A 8 0.091 -6.793 1.103 1.00 1.24 H new ATOM 0 HD23 LEU A 8 0.773 -7.767 -0.221 1.00 1.24 H new ATOM 147 N THR A 9 0.179 -5.705 -4.491 1.00 0.98 N ATOM 148 CA THR A 9 1.133 -6.113 -5.516 1.00 1.08 C ATOM 149 C THR A 9 1.328 -5.027 -6.584 1.00 1.09 C ATOM 150 O THR A 9 2.099 -5.210 -7.525 1.00 1.26 O ATOM 151 CB THR A 9 0.706 -7.438 -6.186 1.00 1.14 C ATOM 152 OG1 THR A 9 1.730 -7.899 -7.077 1.00 1.25 O ATOM 153 CG2 THR A 9 -0.604 -7.272 -6.945 1.00 1.12 C ATOM 0 H THR A 9 -0.768 -6.059 -4.627 1.00 0.98 H new ATOM 0 HA THR A 9 2.086 -6.266 -5.010 1.00 1.08 H new ATOM 0 HB THR A 9 0.556 -8.177 -5.399 1.00 1.14 H new ATOM 0 HG1 THR A 9 2.176 -7.130 -7.489 1.00 1.25 H new ATOM 0 HG21 THR A 9 -0.880 -8.220 -7.406 1.00 1.12 H new ATOM 0 HG22 THR A 9 -1.388 -6.963 -6.254 1.00 1.12 H new ATOM 0 HG23 THR A 9 -0.483 -6.514 -7.719 1.00 1.12 H new ATOM 161 N GLY A 10 0.632 -3.902 -6.437 1.00 0.96 N ATOM 162 CA GLY A 10 0.765 -2.818 -7.397 1.00 1.01 C ATOM 163 C GLY A 10 -0.177 -2.945 -8.581 1.00 0.98 C ATOM 164 O GLY A 10 0.004 -2.283 -9.605 1.00 1.12 O ATOM 0 H GLY A 10 -0.020 -3.722 -5.673 1.00 0.96 H new ATOM 0 HA2 GLY A 10 0.577 -1.870 -6.892 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.792 -2.788 -7.760 1.00 1.01 H new ATOM 168 N LYS A 11 -1.184 -3.793 -8.444 1.00 0.97 N ATOM 169 CA LYS A 11 -2.161 -4.001 -9.506 1.00 0.94 C ATOM 170 C LYS A 11 -3.387 -3.137 -9.246 1.00 0.88 C ATOM 171 O LYS A 11 -3.772 -2.938 -8.096 1.00 0.93 O ATOM 172 CB LYS A 11 -2.557 -5.477 -9.570 1.00 0.93 C ATOM 173 CG LYS A 11 -3.091 -5.911 -10.922 1.00 1.18 C ATOM 174 CD LYS A 11 -3.324 -7.411 -10.975 1.00 1.26 C ATOM 175 CE LYS A 11 -3.602 -7.885 -12.393 1.00 1.59 C ATOM 176 NZ LYS A 11 -2.478 -7.575 -13.317 1.00 2.04 N ATOM 0 H LYS A 11 -1.348 -4.351 -7.606 1.00 0.97 H new ATOM 0 HA LYS A 11 -1.721 -3.717 -10.462 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -1.689 -6.087 -9.320 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -3.314 -5.673 -8.811 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -4.025 -5.389 -11.129 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -2.386 -5.624 -11.702 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -2.449 -7.930 -10.582 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -4.165 -7.672 -10.332 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -3.780 -8.960 -12.387 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -4.513 -7.413 -12.760 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -2.264 -8.412 -13.896 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -2.746 -6.784 -13.937 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -1.637 -7.312 -12.765 1.00 2.04 H new ATOM 190 N THR A 12 -3.995 -2.613 -10.298 1.00 0.85 N ATOM 191 CA THR A 12 -5.169 -1.767 -10.139 1.00 0.84 C ATOM 192 C THR A 12 -6.441 -2.472 -10.614 1.00 0.83 C ATOM 193 O THR A 12 -6.453 -3.126 -11.658 1.00 0.94 O ATOM 194 CB THR A 12 -5.001 -0.438 -10.899 1.00 0.94 C ATOM 195 OG1 THR A 12 -3.669 0.060 -10.708 1.00 1.01 O ATOM 196 CG2 THR A 12 -6.003 0.597 -10.408 1.00 0.92 C ATOM 0 H THR A 12 -3.699 -2.756 -11.264 1.00 0.85 H new ATOM 0 HA THR A 12 -5.267 -1.558 -9.074 1.00 0.84 H new ATOM 0 HB THR A 12 -5.181 -0.621 -11.958 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.563 0.905 -11.193 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.865 1.527 -10.959 1.00 0.92 H new ATOM 0 HG22 THR A 12 -7.016 0.227 -10.568 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.847 0.779 -9.345 1.00 0.92 H new ATOM 204 N ILE A 13 -7.497 -2.362 -9.816 1.00 0.75 N ATOM 205 CA ILE A 13 -8.785 -2.958 -10.138 1.00 0.76 C ATOM 206 C ILE A 13 -9.849 -1.864 -10.179 1.00 0.76 C ATOM 207 O ILE A 13 -9.839 -0.949 -9.355 1.00 0.75 O ATOM 208 CB ILE A 13 -9.188 -4.038 -9.105 1.00 0.75 C ATOM 209 CG1 ILE A 13 -8.021 -5.000 -8.851 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.413 -4.807 -9.586 1.00 0.82 C ATOM 211 CD1 ILE A 13 -8.276 -5.992 -7.734 1.00 0.85 C ATOM 0 H ILE A 13 -7.483 -1.858 -8.929 1.00 0.75 H new ATOM 0 HA ILE A 13 -8.703 -3.442 -11.111 1.00 0.76 H new ATOM 0 HB ILE A 13 -9.438 -3.540 -8.168 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -7.808 -5.548 -9.769 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -7.130 -4.420 -8.612 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -10.682 -5.562 -8.847 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.246 -4.117 -9.720 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.188 -5.293 -10.536 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -7.406 -6.637 -7.615 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.459 -5.454 -6.804 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -9.147 -6.599 -7.979 1.00 0.85 H new ATOM 223 N THR A 14 -10.751 -1.944 -11.145 1.00 0.83 N ATOM 224 CA THR A 14 -11.806 -0.948 -11.289 1.00 0.86 C ATOM 225 C THR A 14 -13.116 -1.430 -10.669 1.00 0.83 C ATOM 226 O THR A 14 -13.608 -2.510 -11.002 1.00 0.89 O ATOM 227 CB THR A 14 -12.036 -0.621 -12.775 1.00 1.01 C ATOM 228 OG1 THR A 14 -10.790 -0.681 -13.482 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.645 0.761 -12.938 1.00 1.39 C ATOM 0 H THR A 14 -10.775 -2.688 -11.842 1.00 0.83 H new ATOM 0 HA THR A 14 -11.482 -0.050 -10.763 1.00 0.86 H new ATOM 0 HB THR A 14 -12.729 -1.356 -13.185 1.00 1.01 H new ATOM 0 HG1 THR A 14 -10.351 0.194 -13.446 1.00 1.16 H new ATOM 0 HG21 THR A 14 -12.798 0.969 -13.997 1.00 1.39 H new ATOM 0 HG22 THR A 14 -13.602 0.800 -12.419 1.00 1.39 H new ATOM 0 HG23 THR A 14 -11.972 1.507 -12.515 1.00 1.39 H new ATOM 237 N LEU A 15 -13.671 -0.632 -9.762 1.00 0.81 N ATOM 238 CA LEU A 15 -14.925 -0.978 -9.101 1.00 0.81 C ATOM 239 C LEU A 15 -16.008 0.034 -9.451 1.00 0.88 C ATOM 240 O LEU A 15 -15.722 1.222 -9.641 1.00 0.89 O ATOM 241 CB LEU A 15 -14.733 -1.040 -7.582 1.00 0.76 C ATOM 242 CG LEU A 15 -14.752 -2.446 -6.974 1.00 0.80 C ATOM 243 CD1 LEU A 15 -16.100 -3.117 -7.198 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.635 -3.299 -7.555 1.00 0.85 C ATOM 0 H LEU A 15 -13.272 0.259 -9.468 1.00 0.81 H new ATOM 0 HA LEU A 15 -15.237 -1.961 -9.453 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -13.782 -0.568 -7.333 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.516 -0.448 -7.109 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.591 -2.349 -5.900 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -16.088 -4.114 -6.757 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -16.885 -2.523 -6.730 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -16.294 -3.196 -8.268 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -13.667 -4.293 -7.109 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -13.763 -3.381 -8.634 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.673 -2.835 -7.338 1.00 0.85 H new ATOM 256 N GLU A 16 -17.246 -0.438 -9.547 1.00 0.98 N ATOM 257 CA GLU A 16 -18.375 0.415 -9.888 1.00 1.07 C ATOM 258 C GLU A 16 -19.430 0.409 -8.779 1.00 1.06 C ATOM 259 O GLU A 16 -20.147 -0.574 -8.586 1.00 1.07 O ATOM 260 CB GLU A 16 -18.990 -0.015 -11.237 1.00 1.19 C ATOM 261 CG GLU A 16 -19.528 -1.449 -11.286 1.00 1.26 C ATOM 262 CD GLU A 16 -18.446 -2.505 -11.196 1.00 1.29 C ATOM 263 OE1 GLU A 16 -17.801 -2.795 -12.223 1.00 1.35 O ATOM 264 OE2 GLU A 16 -18.235 -3.056 -10.093 1.00 1.32 O ATOM 0 H GLU A 16 -17.493 -1.415 -9.392 1.00 0.98 H new ATOM 0 HA GLU A 16 -18.008 1.437 -9.988 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.803 0.669 -11.481 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -18.234 0.098 -12.014 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -20.233 -1.592 -10.467 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -20.084 -1.588 -12.213 1.00 1.26 H new ATOM 271 N VAL A 17 -19.499 1.506 -8.033 1.00 1.05 N ATOM 272 CA VAL A 17 -20.463 1.651 -6.944 1.00 1.06 C ATOM 273 C VAL A 17 -20.922 3.100 -6.849 1.00 1.12 C ATOM 274 O VAL A 17 -20.157 4.016 -7.148 1.00 1.18 O ATOM 275 CB VAL A 17 -19.878 1.214 -5.580 1.00 0.99 C ATOM 276 CG1 VAL A 17 -19.852 -0.301 -5.460 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.483 1.788 -5.375 1.00 0.92 C ATOM 0 H VAL A 17 -18.893 2.316 -8.163 1.00 1.05 H new ATOM 0 HA VAL A 17 -21.306 0.999 -7.172 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.528 1.608 -4.799 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -19.436 -0.582 -4.492 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -20.866 -0.690 -5.546 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -19.234 -0.718 -6.255 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -18.095 1.465 -4.409 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -17.824 1.434 -6.167 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.530 2.877 -5.402 1.00 0.92 H new ATOM 287 N GLU A 18 -22.158 3.314 -6.437 1.00 1.15 N ATOM 288 CA GLU A 18 -22.699 4.662 -6.327 1.00 1.20 C ATOM 289 C GLU A 18 -22.440 5.240 -4.933 1.00 1.10 C ATOM 290 O GLU A 18 -22.130 4.500 -4.006 1.00 1.08 O ATOM 291 CB GLU A 18 -24.194 4.645 -6.654 1.00 1.39 C ATOM 292 CG GLU A 18 -24.478 4.467 -8.138 1.00 1.59 C ATOM 293 CD GLU A 18 -23.936 5.611 -8.975 1.00 1.73 C ATOM 294 OE1 GLU A 18 -22.700 5.762 -9.075 1.00 1.92 O ATOM 295 OE2 GLU A 18 -24.744 6.374 -9.534 1.00 1.86 O ATOM 0 H GLU A 18 -22.808 2.574 -6.172 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.195 5.308 -7.045 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.672 3.838 -6.099 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.645 5.577 -6.313 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.037 3.531 -8.479 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -25.554 4.387 -8.292 1.00 1.59 H new ATOM 302 N PRO A 19 -22.533 6.575 -4.771 1.00 1.10 N ATOM 303 CA PRO A 19 -22.298 7.249 -3.479 1.00 1.06 C ATOM 304 C PRO A 19 -23.181 6.715 -2.348 1.00 1.10 C ATOM 305 O PRO A 19 -22.819 6.805 -1.174 1.00 1.13 O ATOM 306 CB PRO A 19 -22.627 8.724 -3.771 1.00 1.13 C ATOM 307 CG PRO A 19 -23.382 8.712 -5.055 1.00 1.32 C ATOM 308 CD PRO A 19 -22.848 7.546 -5.829 1.00 1.21 C ATOM 0 HA PRO A 19 -21.279 7.085 -3.129 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -23.222 9.160 -2.969 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -21.719 9.320 -3.855 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -24.453 8.607 -4.879 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -23.239 9.644 -5.602 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -23.584 7.155 -6.532 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -21.965 7.815 -6.409 1.00 1.21 H new ATOM 316 N SER A 20 -24.329 6.157 -2.703 1.00 1.16 N ATOM 317 CA SER A 20 -25.251 5.615 -1.719 1.00 1.26 C ATOM 318 C SER A 20 -24.796 4.239 -1.241 1.00 1.22 C ATOM 319 O SER A 20 -25.272 3.734 -0.219 1.00 1.29 O ATOM 320 CB SER A 20 -26.650 5.534 -2.326 1.00 1.42 C ATOM 321 OG SER A 20 -26.598 5.706 -3.736 1.00 1.50 O ATOM 0 H SER A 20 -24.644 6.068 -3.669 1.00 1.16 H new ATOM 0 HA SER A 20 -25.270 6.277 -0.853 1.00 1.26 H new ATOM 0 HB2 SER A 20 -27.099 4.570 -2.089 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.288 6.300 -1.885 1.00 1.42 H new ATOM 0 HG SER A 20 -27.504 5.649 -4.106 1.00 1.50 H new ATOM 327 N ASP A 21 -23.874 3.641 -1.980 1.00 1.13 N ATOM 328 CA ASP A 21 -23.348 2.328 -1.641 1.00 1.09 C ATOM 329 C ASP A 21 -22.351 2.441 -0.499 1.00 1.02 C ATOM 330 O ASP A 21 -21.286 3.043 -0.647 1.00 1.03 O ATOM 331 CB ASP A 21 -22.670 1.680 -2.853 1.00 1.08 C ATOM 332 CG ASP A 21 -23.655 1.152 -3.880 1.00 1.32 C ATOM 333 OD1 ASP A 21 -24.252 1.963 -4.623 1.00 1.65 O ATOM 334 OD2 ASP A 21 -23.830 -0.081 -3.966 1.00 1.46 O ATOM 0 H ASP A 21 -23.472 4.048 -2.825 1.00 1.13 H new ATOM 0 HA ASP A 21 -24.183 1.700 -1.332 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.016 2.411 -3.329 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -22.037 0.861 -2.512 1.00 1.08 H new ATOM 339 N THR A 22 -22.709 1.887 0.647 1.00 0.97 N ATOM 340 CA THR A 22 -21.843 1.914 1.807 1.00 0.92 C ATOM 341 C THR A 22 -20.597 1.069 1.542 1.00 0.81 C ATOM 342 O THR A 22 -20.640 0.136 0.735 1.00 0.79 O ATOM 343 CB THR A 22 -22.583 1.382 3.048 1.00 0.96 C ATOM 344 OG1 THR A 22 -23.995 1.327 2.787 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.322 2.272 4.255 1.00 1.03 C ATOM 0 H THR A 22 -23.599 1.411 0.796 1.00 0.97 H new ATOM 0 HA THR A 22 -21.546 2.946 1.997 1.00 0.92 H new ATOM 0 HB THR A 22 -22.212 0.381 3.267 1.00 0.96 H new ATOM 0 HG1 THR A 22 -24.461 0.986 3.579 1.00 1.12 H new ATOM 0 HG21 THR A 22 -22.855 1.877 5.120 1.00 1.03 H new ATOM 0 HG22 THR A 22 -21.253 2.294 4.466 1.00 1.03 H new ATOM 0 HG23 THR A 22 -22.671 3.283 4.044 1.00 1.03 H new ATOM 353 N ILE A 23 -19.494 1.390 2.217 1.00 0.76 N ATOM 354 CA ILE A 23 -18.239 0.658 2.041 1.00 0.66 C ATOM 355 C ILE A 23 -18.442 -0.854 2.206 1.00 0.64 C ATOM 356 O ILE A 23 -17.783 -1.652 1.538 1.00 0.58 O ATOM 357 CB ILE A 23 -17.159 1.158 3.032 1.00 0.63 C ATOM 358 CG1 ILE A 23 -16.751 2.599 2.701 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.940 0.245 3.026 1.00 0.57 C ATOM 360 CD1 ILE A 23 -16.234 2.786 1.291 1.00 0.66 C ATOM 0 H ILE A 23 -19.443 2.153 2.892 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.896 0.848 1.024 1.00 0.66 H new ATOM 0 HB ILE A 23 -17.589 1.138 4.033 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -17.611 3.252 2.851 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.982 2.918 3.404 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -15.200 0.622 3.731 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -16.238 -0.762 3.317 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -15.508 0.221 2.025 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -15.967 3.832 1.137 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -15.354 2.161 1.140 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -17.008 2.500 0.579 1.00 0.66 H new ATOM 372 N GLU A 24 -19.370 -1.240 3.078 1.00 0.72 N ATOM 373 CA GLU A 24 -19.658 -2.650 3.316 1.00 0.74 C ATOM 374 C GLU A 24 -20.141 -3.352 2.041 1.00 0.74 C ATOM 375 O GLU A 24 -19.787 -4.505 1.794 1.00 0.74 O ATOM 376 CB GLU A 24 -20.695 -2.815 4.433 1.00 0.85 C ATOM 377 CG GLU A 24 -21.991 -2.059 4.187 1.00 0.98 C ATOM 378 CD GLU A 24 -23.183 -2.756 4.802 1.00 1.04 C ATOM 379 OE1 GLU A 24 -23.740 -3.665 4.156 1.00 1.16 O ATOM 380 OE2 GLU A 24 -23.569 -2.398 5.932 1.00 1.71 O ATOM 0 H GLU A 24 -19.935 -0.595 3.631 1.00 0.72 H new ATOM 0 HA GLU A 24 -18.726 -3.121 3.628 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -20.921 -3.875 4.552 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -20.260 -2.474 5.373 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -21.907 -1.054 4.600 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -22.149 -1.951 3.114 1.00 0.98 H new ATOM 387 N ASN A 25 -20.937 -2.656 1.229 1.00 0.79 N ATOM 388 CA ASN A 25 -21.443 -3.235 -0.014 1.00 0.82 C ATOM 389 C ASN A 25 -20.336 -3.269 -1.053 1.00 0.74 C ATOM 390 O ASN A 25 -20.225 -4.213 -1.831 1.00 0.75 O ATOM 391 CB ASN A 25 -22.643 -2.444 -0.555 1.00 0.92 C ATOM 392 CG ASN A 25 -23.390 -3.204 -1.642 1.00 1.03 C ATOM 393 OD1 ASN A 25 -23.523 -4.427 -1.579 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.873 -2.498 -2.654 1.00 1.11 N ATOM 0 H ASN A 25 -21.243 -1.699 1.408 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.778 -4.250 0.198 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -23.326 -2.219 0.264 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -22.297 -1.490 -0.953 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -24.372 -2.966 -3.410 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.746 -1.486 -2.677 1.00 1.11 H new ATOM 401 N VAL A 26 -19.508 -2.234 -1.049 1.00 0.69 N ATOM 402 CA VAL A 26 -18.390 -2.144 -1.977 1.00 0.63 C ATOM 403 C VAL A 26 -17.395 -3.265 -1.698 1.00 0.57 C ATOM 404 O VAL A 26 -16.911 -3.932 -2.615 1.00 0.57 O ATOM 405 CB VAL A 26 -17.665 -0.786 -1.862 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.624 -0.630 -2.965 1.00 0.58 C ATOM 407 CG2 VAL A 26 -18.658 0.366 -1.887 1.00 0.69 C ATOM 0 H VAL A 26 -19.590 -1.442 -0.411 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.790 -2.237 -2.987 1.00 0.63 H new ATOM 0 HB VAL A 26 -17.147 -0.762 -0.903 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -16.127 0.335 -2.862 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.886 -1.429 -2.885 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -17.113 -0.684 -3.937 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -18.121 1.311 -1.804 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -19.215 0.346 -2.824 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -19.350 0.268 -1.051 1.00 0.69 H new ATOM 417 N LYS A 27 -17.115 -3.473 -0.418 1.00 0.55 N ATOM 418 CA LYS A 27 -16.190 -4.511 0.018 1.00 0.53 C ATOM 419 C LYS A 27 -16.712 -5.894 -0.367 1.00 0.57 C ATOM 420 O LYS A 27 -15.942 -6.769 -0.767 1.00 0.57 O ATOM 421 CB LYS A 27 -15.986 -4.423 1.532 1.00 0.56 C ATOM 422 CG LYS A 27 -14.534 -4.546 1.958 1.00 0.57 C ATOM 423 CD LYS A 27 -14.295 -3.966 3.342 1.00 0.60 C ATOM 424 CE LYS A 27 -14.930 -4.818 4.430 1.00 0.89 C ATOM 425 NZ LYS A 27 -14.336 -4.541 5.764 1.00 1.00 N ATOM 0 H LYS A 27 -17.521 -2.930 0.344 1.00 0.55 H new ATOM 0 HA LYS A 27 -15.232 -4.357 -0.480 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.381 -3.472 1.889 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -16.565 -5.210 2.015 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -14.242 -5.596 1.950 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -13.900 -4.033 1.235 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -13.223 -3.886 3.522 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -14.702 -2.956 3.388 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -16.002 -4.626 4.463 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -14.802 -5.873 4.187 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -13.885 -5.404 6.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.624 -3.788 5.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -15.083 -4.237 6.420 1.00 1.00 H new ATOM 439 N ALA A 28 -18.021 -6.084 -0.250 1.00 0.64 N ATOM 440 CA ALA A 28 -18.642 -7.355 -0.596 1.00 0.71 C ATOM 441 C ALA A 28 -18.612 -7.570 -2.105 1.00 0.73 C ATOM 442 O ALA A 28 -18.460 -8.695 -2.586 1.00 0.78 O ATOM 443 CB ALA A 28 -20.073 -7.401 -0.086 1.00 0.77 C ATOM 0 H ALA A 28 -18.673 -5.373 0.082 1.00 0.64 H new ATOM 0 HA ALA A 28 -18.076 -8.156 -0.120 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -20.524 -8.357 -0.352 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -20.077 -7.288 0.998 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.646 -6.591 -0.537 1.00 0.77 H new ATOM 449 N LYS A 29 -18.747 -6.474 -2.842 1.00 0.72 N ATOM 450 CA LYS A 29 -18.726 -6.518 -4.296 1.00 0.76 C ATOM 451 C LYS A 29 -17.375 -7.019 -4.785 1.00 0.72 C ATOM 452 O LYS A 29 -17.302 -7.851 -5.689 1.00 0.76 O ATOM 453 CB LYS A 29 -19.018 -5.132 -4.872 1.00 0.79 C ATOM 454 CG LYS A 29 -19.516 -5.161 -6.306 1.00 1.12 C ATOM 455 CD LYS A 29 -20.190 -3.853 -6.677 1.00 1.05 C ATOM 456 CE LYS A 29 -20.848 -3.931 -8.044 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.713 -2.751 -8.304 1.00 1.56 N ATOM 0 H LYS A 29 -18.873 -5.540 -2.452 1.00 0.72 H new ATOM 0 HA LYS A 29 -19.499 -7.206 -4.637 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -19.763 -4.638 -4.248 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -18.111 -4.529 -4.824 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -18.680 -5.347 -6.981 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -20.218 -5.985 -6.434 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -20.939 -3.603 -5.926 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.454 -3.049 -6.672 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -20.080 -3.996 -8.815 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -21.444 -4.841 -8.110 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -22.250 -2.901 -9.182 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -22.374 -2.624 -7.512 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -21.121 -1.901 -8.400 1.00 1.56 H new ATOM 471 N ILE A 30 -16.305 -6.521 -4.175 1.00 0.67 N ATOM 472 CA ILE A 30 -14.955 -6.936 -4.543 1.00 0.63 C ATOM 473 C ILE A 30 -14.749 -8.415 -4.208 1.00 0.64 C ATOM 474 O ILE A 30 -13.979 -9.118 -4.869 1.00 0.66 O ATOM 475 CB ILE A 30 -13.877 -6.079 -3.838 1.00 0.59 C ATOM 476 CG1 ILE A 30 -14.149 -4.591 -4.081 1.00 0.65 C ATOM 477 CG2 ILE A 30 -12.483 -6.455 -4.332 1.00 0.56 C ATOM 478 CD1 ILE A 30 -13.109 -3.664 -3.486 1.00 0.68 C ATOM 0 H ILE A 30 -16.345 -5.831 -3.425 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.847 -6.787 -5.617 1.00 0.63 H new ATOM 0 HB ILE A 30 -13.922 -6.274 -2.767 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -14.205 -4.414 -5.155 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -15.125 -4.339 -3.665 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.739 -5.841 -3.824 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -12.293 -7.507 -4.118 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -12.420 -6.286 -5.407 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -13.376 -2.630 -3.703 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -13.067 -3.809 -2.406 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -12.134 -3.885 -3.920 1.00 0.68 H new ATOM 490 N GLN A 31 -15.462 -8.888 -3.191 1.00 0.64 N ATOM 491 CA GLN A 31 -15.379 -10.281 -2.777 1.00 0.67 C ATOM 492 C GLN A 31 -15.989 -11.184 -3.843 1.00 0.74 C ATOM 493 O GLN A 31 -15.460 -12.253 -4.147 1.00 0.83 O ATOM 494 CB GLN A 31 -16.103 -10.488 -1.443 1.00 0.69 C ATOM 495 CG GLN A 31 -16.293 -11.952 -1.075 1.00 0.77 C ATOM 496 CD GLN A 31 -17.253 -12.155 0.081 1.00 0.88 C ATOM 497 OE1 GLN A 31 -18.144 -11.340 0.320 1.00 0.90 O ATOM 498 NE2 GLN A 31 -17.084 -13.251 0.801 1.00 1.10 N ATOM 0 H GLN A 31 -16.106 -8.323 -2.637 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.328 -10.540 -2.649 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.539 -9.993 -0.652 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -17.079 -10.004 -1.489 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -16.662 -12.494 -1.946 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -15.326 -12.384 -0.817 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -16.333 -13.902 0.570 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -17.704 -13.446 1.587 1.00 1.10 H new ATOM 507 N ASP A 32 -17.099 -10.743 -4.412 1.00 0.76 N ATOM 508 CA ASP A 32 -17.785 -11.516 -5.440 1.00 0.87 C ATOM 509 C ASP A 32 -17.079 -11.383 -6.787 1.00 0.88 C ATOM 510 O ASP A 32 -17.027 -12.329 -7.570 1.00 0.97 O ATOM 511 CB ASP A 32 -19.242 -11.067 -5.559 1.00 0.95 C ATOM 512 CG ASP A 32 -20.014 -11.890 -6.567 1.00 1.15 C ATOM 513 OD1 ASP A 32 -20.175 -13.110 -6.351 1.00 1.45 O ATOM 514 OD2 ASP A 32 -20.471 -11.316 -7.580 1.00 1.37 O ATOM 0 H ASP A 32 -17.545 -9.855 -4.181 1.00 0.76 H new ATOM 0 HA ASP A 32 -17.762 -12.565 -5.146 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.724 -11.143 -4.585 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -19.274 -10.017 -5.849 1.00 0.95 H new ATOM 519 N LYS A 33 -16.535 -10.202 -7.051 1.00 0.82 N ATOM 520 CA LYS A 33 -15.826 -9.950 -8.302 1.00 0.87 C ATOM 521 C LYS A 33 -14.506 -10.713 -8.345 1.00 0.84 C ATOM 522 O LYS A 33 -14.217 -11.424 -9.310 1.00 0.92 O ATOM 523 CB LYS A 33 -15.550 -8.455 -8.476 1.00 0.85 C ATOM 524 CG LYS A 33 -16.793 -7.611 -8.721 1.00 1.06 C ATOM 525 CD LYS A 33 -17.320 -7.771 -10.139 1.00 1.25 C ATOM 526 CE LYS A 33 -18.046 -6.518 -10.605 1.00 1.51 C ATOM 527 NZ LYS A 33 -17.110 -5.379 -10.818 1.00 1.50 N ATOM 0 H LYS A 33 -16.570 -9.403 -6.417 1.00 0.82 H new ATOM 0 HA LYS A 33 -16.463 -10.296 -9.116 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -15.044 -8.085 -7.584 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -14.863 -8.319 -9.311 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -17.570 -7.895 -8.011 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -16.561 -6.562 -8.537 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -16.492 -7.986 -10.815 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -17.997 -8.624 -10.183 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -18.576 -6.730 -11.533 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -18.797 -6.238 -9.866 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -17.395 -4.579 -10.218 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -16.144 -5.672 -10.568 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -17.137 -5.090 -11.817 1.00 1.50 H new ATOM 541 N GLU A 34 -13.709 -10.568 -7.295 1.00 0.80 N ATOM 542 CA GLU A 34 -12.417 -11.229 -7.222 1.00 0.81 C ATOM 543 C GLU A 34 -12.495 -12.495 -6.382 1.00 0.83 C ATOM 544 O GLU A 34 -12.483 -13.607 -6.911 1.00 1.03 O ATOM 545 CB GLU A 34 -11.373 -10.280 -6.630 1.00 0.76 C ATOM 546 CG GLU A 34 -10.565 -9.538 -7.679 1.00 0.83 C ATOM 547 CD GLU A 34 -9.833 -10.483 -8.608 1.00 0.95 C ATOM 548 OE1 GLU A 34 -9.287 -11.495 -8.124 1.00 1.33 O ATOM 549 OE2 GLU A 34 -9.799 -10.217 -9.827 1.00 1.47 O ATOM 0 H GLU A 34 -13.937 -9.997 -6.481 1.00 0.80 H new ATOM 0 HA GLU A 34 -12.123 -11.506 -8.234 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -11.875 -9.555 -5.989 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -10.694 -10.850 -5.996 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -11.228 -8.899 -8.262 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -9.845 -8.885 -7.186 1.00 0.83 H new ATOM 556 N GLY A 35 -12.587 -12.320 -5.073 1.00 0.73 N ATOM 557 CA GLY A 35 -12.658 -13.456 -4.174 1.00 0.76 C ATOM 558 C GLY A 35 -11.958 -13.187 -2.862 1.00 0.75 C ATOM 559 O GLY A 35 -11.419 -14.097 -2.239 1.00 0.93 O ATOM 0 H GLY A 35 -12.614 -11.409 -4.614 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -13.703 -13.702 -3.983 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -12.208 -14.326 -4.653 1.00 0.76 H new ATOM 563 N ILE A 36 -11.971 -11.932 -2.439 1.00 0.64 N ATOM 564 CA ILE A 36 -11.332 -11.539 -1.195 1.00 0.63 C ATOM 565 C ILE A 36 -12.390 -11.270 -0.130 1.00 0.62 C ATOM 566 O ILE A 36 -13.183 -10.339 -0.267 1.00 0.62 O ATOM 567 CB ILE A 36 -10.458 -10.277 -1.376 1.00 0.63 C ATOM 568 CG1 ILE A 36 -9.466 -10.476 -2.522 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.721 -9.948 -0.085 1.00 0.68 C ATOM 570 CD1 ILE A 36 -8.793 -9.198 -2.980 1.00 0.76 C ATOM 0 H ILE A 36 -12.419 -11.166 -2.942 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.686 -12.360 -0.882 1.00 0.63 H new ATOM 0 HB ILE A 36 -11.109 -9.439 -1.623 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.701 -11.186 -2.208 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -9.988 -10.924 -3.368 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -9.111 -9.057 -0.231 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -10.444 -9.766 0.710 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -9.080 -10.785 0.192 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -8.104 -9.421 -3.795 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -9.549 -8.493 -3.326 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -8.241 -8.759 -2.149 1.00 0.76 H new ATOM 582 N PRO A 37 -12.420 -12.083 0.938 1.00 0.68 N ATOM 583 CA PRO A 37 -13.396 -11.930 2.024 1.00 0.72 C ATOM 584 C PRO A 37 -13.330 -10.545 2.672 1.00 0.66 C ATOM 585 O PRO A 37 -12.248 -9.982 2.845 1.00 0.64 O ATOM 586 CB PRO A 37 -13.012 -13.026 3.026 1.00 0.86 C ATOM 587 CG PRO A 37 -11.624 -13.430 2.660 1.00 0.91 C ATOM 588 CD PRO A 37 -11.502 -13.208 1.181 1.00 0.75 C ATOM 0 HA PRO A 37 -14.421 -12.022 1.664 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -13.056 -12.655 4.050 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -13.696 -13.872 2.964 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -10.889 -12.837 3.205 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -11.442 -14.474 2.914 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -10.480 -12.964 0.893 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.790 -14.094 0.615 1.00 0.75 H new ATOM 596 N PRO A 38 -14.495 -9.991 3.054 1.00 0.68 N ATOM 597 CA PRO A 38 -14.591 -8.653 3.660 1.00 0.65 C ATOM 598 C PRO A 38 -13.855 -8.531 4.995 1.00 0.65 C ATOM 599 O PRO A 38 -13.477 -7.432 5.399 1.00 0.70 O ATOM 600 CB PRO A 38 -16.099 -8.459 3.867 1.00 0.71 C ATOM 601 CG PRO A 38 -16.663 -9.836 3.885 1.00 0.79 C ATOM 602 CD PRO A 38 -15.817 -10.629 2.932 1.00 0.78 C ATOM 0 HA PRO A 38 -14.125 -7.902 3.023 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -16.306 -7.935 4.800 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -16.535 -7.864 3.064 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.628 -10.261 4.888 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.708 -9.836 3.575 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.783 -11.684 3.204 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -16.199 -10.575 1.912 1.00 0.78 H new ATOM 610 N ASP A 39 -13.639 -9.655 5.667 1.00 0.68 N ATOM 611 CA ASP A 39 -12.958 -9.653 6.960 1.00 0.74 C ATOM 612 C ASP A 39 -11.453 -9.454 6.791 1.00 0.82 C ATOM 613 O ASP A 39 -10.789 -8.919 7.678 1.00 0.99 O ATOM 614 CB ASP A 39 -13.224 -10.959 7.719 1.00 0.80 C ATOM 615 CG ASP A 39 -12.497 -12.144 7.114 1.00 1.51 C ATOM 616 OD1 ASP A 39 -12.923 -12.618 6.045 1.00 1.85 O ATOM 617 OD2 ASP A 39 -11.496 -12.602 7.703 1.00 2.52 O ATOM 0 H ASP A 39 -13.924 -10.579 5.341 1.00 0.68 H new ATOM 0 HA ASP A 39 -13.357 -8.819 7.538 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -12.916 -10.840 8.758 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -14.295 -11.159 7.725 1.00 0.80 H new ATOM 622 N GLN A 40 -10.927 -9.874 5.648 1.00 0.87 N ATOM 623 CA GLN A 40 -9.503 -9.749 5.372 1.00 1.00 C ATOM 624 C GLN A 40 -9.233 -8.623 4.384 1.00 0.98 C ATOM 625 O GLN A 40 -8.083 -8.331 4.053 1.00 1.24 O ATOM 626 CB GLN A 40 -8.960 -11.073 4.833 1.00 1.14 C ATOM 627 CG GLN A 40 -8.625 -12.082 5.920 1.00 1.29 C ATOM 628 CD GLN A 40 -8.846 -13.516 5.479 1.00 1.35 C ATOM 629 OE1 GLN A 40 -7.981 -14.124 4.845 1.00 1.73 O ATOM 630 NE2 GLN A 40 -9.997 -14.071 5.827 1.00 1.64 N ATOM 0 H GLN A 40 -11.466 -10.305 4.897 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.992 -9.506 6.303 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -9.696 -11.510 4.158 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -8.064 -10.876 4.244 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.585 -11.955 6.219 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -9.237 -11.879 6.799 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -10.685 -13.531 6.352 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -10.195 -15.038 5.570 1.00 1.64 H new ATOM 639 N GLN A 41 -10.301 -7.979 3.937 1.00 0.78 N ATOM 640 CA GLN A 41 -10.201 -6.889 2.978 1.00 0.81 C ATOM 641 C GLN A 41 -10.211 -5.540 3.696 1.00 0.67 C ATOM 642 O GLN A 41 -11.216 -5.156 4.301 1.00 0.78 O ATOM 643 CB GLN A 41 -11.363 -6.970 1.985 1.00 0.89 C ATOM 644 CG GLN A 41 -11.196 -6.075 0.772 1.00 0.95 C ATOM 645 CD GLN A 41 -12.415 -6.080 -0.127 1.00 0.83 C ATOM 646 OE1 GLN A 41 -12.761 -5.065 -0.718 1.00 1.44 O ATOM 647 NE2 GLN A 41 -13.073 -7.225 -0.241 1.00 0.79 N ATOM 0 H GLN A 41 -11.255 -8.195 4.226 1.00 0.78 H new ATOM 0 HA GLN A 41 -9.260 -6.980 2.436 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -11.472 -8.002 1.651 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -12.286 -6.702 2.498 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -10.996 -5.055 1.102 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -10.327 -6.401 0.201 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -12.754 -8.050 0.268 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -13.899 -7.282 -0.837 1.00 0.79 H new ATOM 656 N ARG A 42 -9.093 -4.827 3.634 1.00 0.56 N ATOM 657 CA ARG A 42 -8.982 -3.531 4.284 1.00 0.56 C ATOM 658 C ARG A 42 -8.613 -2.444 3.273 1.00 0.50 C ATOM 659 O ARG A 42 -7.489 -2.405 2.771 1.00 0.52 O ATOM 660 CB ARG A 42 -7.937 -3.592 5.401 1.00 0.77 C ATOM 661 CG ARG A 42 -8.091 -2.497 6.441 1.00 0.95 C ATOM 662 CD ARG A 42 -7.034 -2.615 7.527 1.00 1.24 C ATOM 663 NE ARG A 42 -7.424 -1.922 8.754 1.00 1.62 N ATOM 664 CZ ARG A 42 -6.803 -2.071 9.925 1.00 2.19 C ATOM 665 NH1 ARG A 42 -5.750 -2.877 10.031 1.00 2.48 N ATOM 666 NH2 ARG A 42 -7.238 -1.411 10.989 1.00 2.87 N ATOM 0 H ARG A 42 -8.252 -5.126 3.140 1.00 0.56 H new ATOM 0 HA ARG A 42 -9.950 -3.279 4.716 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -8.002 -4.562 5.895 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -6.942 -3.525 4.960 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -8.014 -1.522 5.960 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -9.083 -2.554 6.888 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -6.857 -3.668 7.747 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -6.093 -2.203 7.162 1.00 1.24 H new ATOM 0 HE ARG A 42 -8.220 -1.285 8.712 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -5.413 -3.386 9.214 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -5.280 -2.986 10.930 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -8.045 -0.792 10.910 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -6.766 -1.522 11.886 1.00 2.87 H new ATOM 680 N LEU A 43 -9.568 -1.575 2.971 1.00 0.50 N ATOM 681 CA LEU A 43 -9.347 -0.485 2.029 1.00 0.46 C ATOM 682 C LEU A 43 -8.859 0.756 2.767 1.00 0.49 C ATOM 683 O LEU A 43 -9.506 1.224 3.704 1.00 0.51 O ATOM 684 CB LEU A 43 -10.633 -0.166 1.267 1.00 0.43 C ATOM 685 CG LEU A 43 -11.140 -1.284 0.354 1.00 0.45 C ATOM 686 CD1 LEU A 43 -12.568 -1.007 -0.079 1.00 0.46 C ATOM 687 CD2 LEU A 43 -10.237 -1.423 -0.862 1.00 0.50 C ATOM 0 H LEU A 43 -10.508 -1.604 3.367 1.00 0.50 H new ATOM 0 HA LEU A 43 -8.586 -0.796 1.314 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -11.414 0.075 1.988 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -10.468 0.727 0.665 1.00 0.43 H new ATOM 0 HG LEU A 43 -11.122 -2.221 0.910 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.914 -1.811 -0.728 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -13.210 -0.948 0.800 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -12.607 -0.062 -0.620 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.610 -2.222 -1.503 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -10.229 -0.486 -1.418 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -9.224 -1.661 -0.538 1.00 0.50 H new ATOM 699 N ILE A 44 -7.713 1.276 2.357 1.00 0.52 N ATOM 700 CA ILE A 44 -7.143 2.458 2.989 1.00 0.57 C ATOM 701 C ILE A 44 -6.980 3.595 1.983 1.00 0.53 C ATOM 702 O ILE A 44 -6.515 3.384 0.859 1.00 0.52 O ATOM 703 CB ILE A 44 -5.771 2.143 3.629 1.00 0.65 C ATOM 704 CG1 ILE A 44 -5.876 0.916 4.540 1.00 0.78 C ATOM 705 CG2 ILE A 44 -5.260 3.346 4.412 1.00 0.73 C ATOM 706 CD1 ILE A 44 -4.542 0.422 5.056 1.00 0.92 C ATOM 0 H ILE A 44 -7.158 0.899 1.589 1.00 0.52 H new ATOM 0 HA ILE A 44 -7.836 2.769 3.770 1.00 0.57 H new ATOM 0 HB ILE A 44 -5.060 1.923 2.833 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -6.516 1.159 5.388 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -6.364 0.110 3.993 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -4.294 3.107 4.856 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -5.150 4.197 3.740 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -5.970 3.595 5.201 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -4.698 -0.448 5.693 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -3.906 0.146 4.215 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -4.060 1.212 5.632 1.00 0.92 H new ATOM 718 N PHE A 45 -7.382 4.791 2.389 1.00 0.55 N ATOM 719 CA PHE A 45 -7.273 5.970 1.544 1.00 0.57 C ATOM 720 C PHE A 45 -6.334 6.978 2.195 1.00 0.61 C ATOM 721 O PHE A 45 -6.643 7.513 3.263 1.00 0.67 O ATOM 722 CB PHE A 45 -8.656 6.594 1.321 1.00 0.61 C ATOM 723 CG PHE A 45 -8.644 7.806 0.432 1.00 0.68 C ATOM 724 CD1 PHE A 45 -8.485 7.673 -0.937 1.00 0.76 C ATOM 725 CD2 PHE A 45 -8.796 9.076 0.965 1.00 0.83 C ATOM 726 CE1 PHE A 45 -8.473 8.783 -1.758 1.00 0.87 C ATOM 727 CE2 PHE A 45 -8.783 10.191 0.149 1.00 0.93 C ATOM 728 CZ PHE A 45 -8.624 10.044 -1.215 1.00 0.90 C ATOM 0 H PHE A 45 -7.790 4.970 3.307 1.00 0.55 H new ATOM 0 HA PHE A 45 -6.868 5.680 0.574 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -9.316 5.844 0.886 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.079 6.869 2.287 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -8.369 6.689 -1.368 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -8.926 9.196 2.030 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -8.346 8.665 -2.824 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -8.897 11.176 0.577 1.00 0.93 H new ATOM 0 HZ PHE A 45 -8.618 10.913 -1.856 1.00 0.90 H new ATOM 738 N ALA A 46 -5.188 7.215 1.550 1.00 0.68 N ATOM 739 CA ALA A 46 -4.168 8.148 2.042 1.00 0.81 C ATOM 740 C ALA A 46 -3.610 7.698 3.394 1.00 0.80 C ATOM 741 O ALA A 46 -2.570 7.047 3.459 1.00 1.25 O ATOM 742 CB ALA A 46 -4.719 9.568 2.125 1.00 0.91 C ATOM 0 H ALA A 46 -4.940 6.764 0.669 1.00 0.68 H new ATOM 0 HA ALA A 46 -3.346 8.147 1.326 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -3.942 10.239 2.492 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -5.040 9.892 1.135 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -5.569 9.589 2.807 1.00 0.91 H new ATOM 748 N GLY A 47 -4.309 8.042 4.466 1.00 0.91 N ATOM 749 CA GLY A 47 -3.880 7.667 5.798 1.00 0.94 C ATOM 750 C GLY A 47 -5.062 7.351 6.688 1.00 0.96 C ATOM 751 O GLY A 47 -4.967 7.411 7.913 1.00 1.23 O ATOM 0 H GLY A 47 -5.175 8.580 4.436 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -3.224 6.799 5.740 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -3.298 8.478 6.237 1.00 0.94 H new ATOM 755 N LYS A 48 -6.182 7.025 6.058 1.00 0.77 N ATOM 756 CA LYS A 48 -7.406 6.707 6.771 1.00 0.83 C ATOM 757 C LYS A 48 -8.048 5.452 6.187 1.00 0.71 C ATOM 758 O LYS A 48 -8.289 5.378 4.983 1.00 0.65 O ATOM 759 CB LYS A 48 -8.377 7.889 6.674 1.00 0.96 C ATOM 760 CG LYS A 48 -9.644 7.718 7.497 1.00 1.43 C ATOM 761 CD LYS A 48 -9.364 7.814 8.989 1.00 1.89 C ATOM 762 CE LYS A 48 -10.639 8.080 9.775 1.00 2.45 C ATOM 763 NZ LYS A 48 -10.389 8.148 11.238 1.00 3.10 N ATOM 0 H LYS A 48 -6.265 6.974 5.043 1.00 0.77 H new ATOM 0 HA LYS A 48 -7.170 6.520 7.819 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.865 8.794 6.999 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.652 8.036 5.629 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -10.368 8.482 7.213 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -10.096 6.752 7.273 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -8.907 6.887 9.336 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -8.646 8.612 9.176 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -11.082 9.017 9.439 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -11.363 7.292 9.568 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -11.284 8.331 11.735 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -9.990 7.245 11.564 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -9.718 8.916 11.440 1.00 3.10 H new ATOM 777 N GLN A 49 -8.299 4.463 7.035 1.00 0.76 N ATOM 778 CA GLN A 49 -8.928 3.231 6.587 1.00 0.69 C ATOM 779 C GLN A 49 -10.430 3.444 6.440 1.00 0.66 C ATOM 780 O GLN A 49 -11.075 4.010 7.324 1.00 0.79 O ATOM 781 CB GLN A 49 -8.635 2.079 7.556 1.00 0.81 C ATOM 782 CG GLN A 49 -8.976 2.380 9.007 1.00 1.02 C ATOM 783 CD GLN A 49 -9.790 1.274 9.650 1.00 1.26 C ATOM 784 OE1 GLN A 49 -9.242 0.300 10.166 1.00 1.53 O ATOM 785 NE2 GLN A 49 -11.104 1.416 9.613 1.00 1.76 N ATOM 0 H GLN A 49 -8.078 4.491 8.030 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.512 2.960 5.617 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -9.196 1.200 7.238 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.578 1.823 7.489 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.055 2.525 9.571 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -9.533 3.315 9.060 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -11.516 2.240 9.175 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -11.706 0.702 10.023 1.00 1.76 H new ATOM 794 N LEU A 50 -10.978 2.996 5.322 1.00 0.54 N ATOM 795 CA LEU A 50 -12.397 3.153 5.051 1.00 0.55 C ATOM 796 C LEU A 50 -13.207 2.164 5.875 1.00 0.60 C ATOM 797 O LEU A 50 -13.015 0.950 5.775 1.00 0.60 O ATOM 798 CB LEU A 50 -12.685 2.956 3.560 1.00 0.50 C ATOM 799 CG LEU A 50 -11.793 3.757 2.608 1.00 0.47 C ATOM 800 CD1 LEU A 50 -12.159 3.459 1.165 1.00 0.46 C ATOM 801 CD2 LEU A 50 -11.909 5.249 2.889 1.00 0.51 C ATOM 0 H LEU A 50 -10.459 2.519 4.585 1.00 0.54 H new ATOM 0 HA LEU A 50 -12.689 4.165 5.331 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.581 1.897 3.324 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.724 3.224 3.369 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.758 3.458 2.774 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.516 4.036 0.500 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -12.024 2.396 0.968 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -13.200 3.731 0.990 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -11.267 5.800 2.201 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -12.943 5.566 2.753 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -11.600 5.451 3.915 1.00 0.51 H new ATOM 813 N GLU A 51 -14.094 2.693 6.700 1.00 0.70 N ATOM 814 CA GLU A 51 -14.935 1.866 7.548 1.00 0.78 C ATOM 815 C GLU A 51 -16.189 1.445 6.801 1.00 0.76 C ATOM 816 O GLU A 51 -16.747 2.225 6.027 1.00 0.77 O ATOM 817 CB GLU A 51 -15.314 2.624 8.818 1.00 0.91 C ATOM 818 CG GLU A 51 -14.117 3.064 9.645 1.00 0.97 C ATOM 819 CD GLU A 51 -14.520 3.776 10.916 1.00 1.13 C ATOM 820 OE1 GLU A 51 -14.913 3.090 11.884 1.00 1.41 O ATOM 821 OE2 GLU A 51 -14.446 5.021 10.954 1.00 1.68 O ATOM 0 H GLU A 51 -14.251 3.696 6.801 1.00 0.70 H new ATOM 0 HA GLU A 51 -14.375 0.973 7.824 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -15.899 3.502 8.546 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -15.955 1.991 9.431 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.514 2.192 9.897 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -13.489 3.724 9.046 1.00 0.97 H new ATOM 828 N ASP A 52 -16.646 0.221 7.055 1.00 0.79 N ATOM 829 CA ASP A 52 -17.841 -0.312 6.398 1.00 0.81 C ATOM 830 C ASP A 52 -19.080 0.486 6.787 1.00 0.89 C ATOM 831 O ASP A 52 -20.094 0.450 6.088 1.00 0.95 O ATOM 832 CB ASP A 52 -18.063 -1.795 6.741 1.00 0.90 C ATOM 833 CG ASP A 52 -16.925 -2.415 7.524 1.00 1.29 C ATOM 834 OD1 ASP A 52 -15.905 -2.786 6.908 1.00 1.69 O ATOM 835 OD2 ASP A 52 -17.053 -2.541 8.758 1.00 1.74 O ATOM 0 H ASP A 52 -16.207 -0.423 7.713 1.00 0.79 H new ATOM 0 HA ASP A 52 -17.678 -0.223 5.324 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -18.984 -1.892 7.317 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -18.204 -2.355 5.817 1.00 0.90 H new ATOM 840 N GLY A 53 -18.990 1.211 7.897 1.00 0.95 N ATOM 841 CA GLY A 53 -20.112 2.008 8.363 1.00 1.05 C ATOM 842 C GLY A 53 -20.100 3.425 7.817 1.00 1.07 C ATOM 843 O GLY A 53 -20.750 4.315 8.367 1.00 1.28 O ATOM 0 H GLY A 53 -18.158 1.261 8.484 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -21.043 1.520 8.073 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -20.098 2.044 9.452 1.00 1.05 H new ATOM 847 N ARG A 54 -19.353 3.637 6.740 1.00 0.96 N ATOM 848 CA ARG A 54 -19.256 4.949 6.113 1.00 0.99 C ATOM 849 C ARG A 54 -19.497 4.829 4.612 1.00 0.95 C ATOM 850 O ARG A 54 -19.410 3.736 4.045 1.00 0.90 O ATOM 851 CB ARG A 54 -17.876 5.569 6.369 1.00 0.99 C ATOM 852 CG ARG A 54 -17.604 5.917 7.828 1.00 1.14 C ATOM 853 CD ARG A 54 -18.455 7.088 8.292 1.00 1.26 C ATOM 854 NE ARG A 54 -18.041 7.571 9.606 1.00 1.42 N ATOM 855 CZ ARG A 54 -18.336 8.778 10.090 1.00 1.73 C ATOM 856 NH1 ARG A 54 -19.018 9.649 9.357 1.00 1.94 N ATOM 857 NH2 ARG A 54 -17.941 9.117 11.309 1.00 1.92 N ATOM 0 H ARG A 54 -18.802 2.912 6.280 1.00 0.96 H new ATOM 0 HA ARG A 54 -20.016 5.597 6.549 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -17.109 4.875 6.025 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -17.780 6.473 5.768 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -17.807 5.048 8.454 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -16.549 6.161 7.954 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -18.384 7.899 7.567 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -19.501 6.785 8.329 1.00 1.26 H new ATOM 0 HE ARG A 54 -17.490 6.944 10.192 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -19.321 9.397 8.416 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -19.240 10.570 9.735 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -17.412 8.455 11.876 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -18.166 10.040 11.680 1.00 1.92 H new ATOM 871 N THR A 55 -19.815 5.946 3.979 1.00 0.99 N ATOM 872 CA THR A 55 -20.064 5.977 2.547 1.00 1.00 C ATOM 873 C THR A 55 -18.887 6.605 1.806 1.00 0.95 C ATOM 874 O THR A 55 -17.872 6.951 2.414 1.00 0.93 O ATOM 875 CB THR A 55 -21.340 6.779 2.231 1.00 1.11 C ATOM 876 OG1 THR A 55 -21.251 8.085 2.816 1.00 1.31 O ATOM 877 CG2 THR A 55 -22.577 6.061 2.748 1.00 1.07 C ATOM 0 H THR A 55 -19.907 6.851 4.439 1.00 0.99 H new ATOM 0 HA THR A 55 -20.193 4.947 2.214 1.00 1.00 H new ATOM 0 HB THR A 55 -21.428 6.872 1.149 1.00 1.11 H new ATOM 0 HG1 THR A 55 -21.122 8.002 3.784 1.00 1.31 H new ATOM 0 HG21 THR A 55 -23.464 6.649 2.512 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.654 5.082 2.275 1.00 1.07 H new ATOM 0 HG23 THR A 55 -22.501 5.937 3.828 1.00 1.07 H new ATOM 885 N LEU A 56 -19.026 6.756 0.496 1.00 0.98 N ATOM 886 CA LEU A 56 -17.976 7.355 -0.316 1.00 0.95 C ATOM 887 C LEU A 56 -17.969 8.869 -0.127 1.00 0.96 C ATOM 888 O LEU A 56 -16.913 9.510 -0.121 1.00 0.95 O ATOM 889 CB LEU A 56 -18.176 6.995 -1.790 1.00 1.02 C ATOM 890 CG LEU A 56 -18.158 5.492 -2.095 1.00 1.06 C ATOM 891 CD1 LEU A 56 -18.599 5.228 -3.522 1.00 1.39 C ATOM 892 CD2 LEU A 56 -16.772 4.909 -1.851 1.00 0.84 C ATOM 0 H LEU A 56 -19.855 6.472 -0.027 1.00 0.98 H new ATOM 0 HA LEU A 56 -17.011 6.961 0.005 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -19.128 7.407 -2.124 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -17.395 7.480 -2.377 1.00 1.02 H new ATOM 0 HG LEU A 56 -18.861 5.002 -1.421 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.579 4.156 -3.717 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -19.612 5.604 -3.665 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -17.923 5.735 -4.211 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -16.782 3.842 -2.073 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -16.049 5.408 -2.496 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -16.492 5.060 -0.808 1.00 0.84 H new ATOM 904 N SER A 57 -19.158 9.433 0.047 1.00 1.01 N ATOM 905 CA SER A 57 -19.311 10.863 0.254 1.00 1.06 C ATOM 906 C SER A 57 -18.862 11.246 1.664 1.00 1.03 C ATOM 907 O SER A 57 -18.509 12.396 1.927 1.00 1.06 O ATOM 908 CB SER A 57 -20.771 11.250 0.033 1.00 1.15 C ATOM 909 OG SER A 57 -21.417 10.300 -0.802 1.00 1.11 O ATOM 0 H SER A 57 -20.036 8.914 0.048 1.00 1.01 H new ATOM 0 HA SER A 57 -18.686 11.401 -0.458 1.00 1.06 H new ATOM 0 HB2 SER A 57 -21.286 11.310 0.992 1.00 1.15 H new ATOM 0 HB3 SER A 57 -20.826 12.239 -0.421 1.00 1.15 H new ATOM 0 HG SER A 57 -22.352 10.562 -0.932 1.00 1.11 H new ATOM 915 N ASP A 58 -18.867 10.257 2.554 1.00 1.00 N ATOM 916 CA ASP A 58 -18.465 10.441 3.949 1.00 0.99 C ATOM 917 C ASP A 58 -17.074 11.042 4.055 1.00 0.96 C ATOM 918 O ASP A 58 -16.862 12.021 4.767 1.00 1.03 O ATOM 919 CB ASP A 58 -18.469 9.100 4.678 1.00 1.03 C ATOM 920 CG ASP A 58 -19.588 8.979 5.684 1.00 1.13 C ATOM 921 OD1 ASP A 58 -19.543 9.680 6.713 1.00 1.23 O ATOM 922 OD2 ASP A 58 -20.501 8.157 5.463 1.00 1.81 O ATOM 0 H ASP A 58 -19.150 9.303 2.329 1.00 1.00 H new ATOM 0 HA ASP A 58 -19.182 11.124 4.405 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -18.556 8.296 3.947 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -17.514 8.966 5.187 1.00 1.03 H new ATOM 927 N TYR A 59 -16.127 10.442 3.344 1.00 0.88 N ATOM 928 CA TYR A 59 -14.746 10.905 3.363 1.00 0.87 C ATOM 929 C TYR A 59 -14.505 11.937 2.268 1.00 0.91 C ATOM 930 O TYR A 59 -13.421 12.511 2.178 1.00 0.95 O ATOM 931 CB TYR A 59 -13.784 9.728 3.168 1.00 0.83 C ATOM 932 CG TYR A 59 -13.915 8.633 4.202 1.00 0.82 C ATOM 933 CD1 TYR A 59 -13.233 8.704 5.411 1.00 0.94 C ATOM 934 CD2 TYR A 59 -14.709 7.518 3.962 1.00 0.90 C ATOM 935 CE1 TYR A 59 -13.341 7.696 6.352 1.00 1.07 C ATOM 936 CE2 TYR A 59 -14.824 6.510 4.898 1.00 1.03 C ATOM 937 CZ TYR A 59 -14.138 6.601 6.091 1.00 1.09 C ATOM 938 OH TYR A 59 -14.247 5.591 7.021 1.00 1.31 O ATOM 0 H TYR A 59 -16.291 9.632 2.746 1.00 0.88 H new ATOM 0 HA TYR A 59 -14.563 11.367 4.333 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -13.951 9.299 2.180 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -12.761 10.105 3.184 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -12.609 9.560 5.619 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -15.245 7.439 3.028 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -12.804 7.766 7.286 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -15.449 5.653 4.697 1.00 1.03 H new ATOM 0 HH TYR A 59 -14.135 5.962 7.921 1.00 1.31 H new ATOM 948 N ASN A 60 -15.532 12.171 1.449 1.00 0.95 N ATOM 949 CA ASN A 60 -15.452 13.114 0.332 1.00 1.02 C ATOM 950 C ASN A 60 -14.407 12.636 -0.667 1.00 0.96 C ATOM 951 O ASN A 60 -13.510 13.381 -1.074 1.00 1.00 O ATOM 952 CB ASN A 60 -15.122 14.530 0.816 1.00 1.15 C ATOM 953 CG ASN A 60 -15.660 15.596 -0.121 1.00 1.19 C ATOM 954 OD1 ASN A 60 -15.060 15.899 -1.153 1.00 1.24 O ATOM 955 ND2 ASN A 60 -16.794 16.180 0.237 1.00 1.44 N ATOM 0 H ASN A 60 -16.439 11.714 1.541 1.00 0.95 H new ATOM 0 HA ASN A 60 -16.427 13.153 -0.154 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -15.541 14.679 1.811 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -14.041 14.639 0.905 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -17.200 16.909 -0.350 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -17.261 15.901 1.100 1.00 1.44 H new ATOM 962 N ILE A 61 -14.528 11.377 -1.049 1.00 0.88 N ATOM 963 CA ILE A 61 -13.599 10.777 -1.991 1.00 0.85 C ATOM 964 C ILE A 61 -13.937 11.193 -3.417 1.00 0.99 C ATOM 965 O ILE A 61 -15.091 11.116 -3.841 1.00 1.14 O ATOM 966 CB ILE A 61 -13.612 9.233 -1.884 1.00 0.77 C ATOM 967 CG1 ILE A 61 -13.510 8.800 -0.420 1.00 0.75 C ATOM 968 CG2 ILE A 61 -12.477 8.630 -2.695 1.00 0.81 C ATOM 969 CD1 ILE A 61 -13.677 7.310 -0.211 1.00 0.75 C ATOM 0 H ILE A 61 -15.262 10.749 -0.721 1.00 0.88 H new ATOM 0 HA ILE A 61 -12.600 11.135 -1.740 1.00 0.85 H new ATOM 0 HB ILE A 61 -14.555 8.868 -2.290 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -12.541 9.106 -0.027 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -14.269 9.326 0.159 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -12.504 7.544 -2.607 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -12.588 8.912 -3.742 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -11.524 9.001 -2.319 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -13.592 7.080 0.851 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -14.657 6.999 -0.573 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -12.902 6.776 -0.761 1.00 0.75 H new ATOM 981 N GLN A 62 -12.936 11.669 -4.144 1.00 1.02 N ATOM 982 CA GLN A 62 -13.129 12.084 -5.523 1.00 1.19 C ATOM 983 C GLN A 62 -13.190 10.854 -6.416 1.00 0.99 C ATOM 984 O GLN A 62 -12.660 9.802 -6.060 1.00 0.93 O ATOM 985 CB GLN A 62 -11.989 13.007 -5.963 1.00 1.46 C ATOM 986 CG GLN A 62 -12.460 14.329 -6.550 1.00 1.94 C ATOM 987 CD GLN A 62 -13.002 14.184 -7.960 1.00 1.99 C ATOM 988 OE1 GLN A 62 -14.183 13.892 -8.159 1.00 2.30 O ATOM 989 NE2 GLN A 62 -12.149 14.397 -8.948 1.00 2.35 N ATOM 0 H GLN A 62 -11.982 11.777 -3.800 1.00 1.02 H new ATOM 0 HA GLN A 62 -14.066 12.634 -5.607 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -11.347 13.209 -5.106 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -11.379 12.488 -6.703 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -13.234 14.751 -5.909 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -11.630 15.036 -6.555 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -11.179 14.637 -8.742 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -12.461 14.322 -9.916 1.00 2.35 H new ATOM 998 N LYS A 63 -13.836 10.975 -7.563 1.00 1.00 N ATOM 999 CA LYS A 63 -13.943 9.851 -8.479 1.00 0.98 C ATOM 1000 C LYS A 63 -12.589 9.564 -9.119 1.00 0.88 C ATOM 1001 O LYS A 63 -11.794 10.486 -9.346 1.00 0.95 O ATOM 1002 CB LYS A 63 -15.009 10.119 -9.548 1.00 1.20 C ATOM 1003 CG LYS A 63 -14.741 11.345 -10.404 1.00 1.20 C ATOM 1004 CD LYS A 63 -15.898 11.619 -11.351 1.00 1.48 C ATOM 1005 CE LYS A 63 -15.570 12.725 -12.335 1.00 1.48 C ATOM 1006 NZ LYS A 63 -16.635 12.883 -13.356 1.00 2.15 N ATOM 0 H LYS A 63 -14.291 11.831 -7.881 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.252 8.971 -7.915 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -15.084 9.246 -10.197 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.976 10.236 -9.059 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -14.580 12.211 -9.762 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -13.826 11.198 -10.977 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -16.145 10.708 -11.897 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -16.782 11.895 -10.775 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -15.439 13.664 -11.797 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -14.623 12.505 -12.828 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -16.377 13.648 -14.012 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -16.743 11.995 -13.886 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -17.533 13.117 -12.887 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.330 8.286 -9.395 1.00 0.94 N ATOM 1021 CA GLU A 64 -11.070 7.856 -9.997 1.00 1.00 C ATOM 1022 C GLU A 64 -9.887 8.266 -9.118 1.00 0.85 C ATOM 1023 O GLU A 64 -8.905 8.840 -9.591 1.00 0.96 O ATOM 1024 CB GLU A 64 -10.928 8.429 -11.412 1.00 1.26 C ATOM 1025 CG GLU A 64 -12.095 8.085 -12.327 1.00 1.51 C ATOM 1026 CD GLU A 64 -12.057 8.851 -13.634 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -11.005 8.835 -14.305 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -13.078 9.472 -13.994 1.00 1.88 O ATOM 0 H GLU A 64 -12.983 7.525 -9.209 1.00 0.94 H new ATOM 0 HA GLU A 64 -11.074 6.769 -10.071 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -10.834 9.513 -11.349 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -10.006 8.054 -11.856 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -12.084 7.015 -12.537 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -13.031 8.299 -11.812 1.00 1.51 H new ATOM 1035 N SER A 65 -9.998 7.971 -7.832 1.00 0.78 N ATOM 1036 CA SER A 65 -8.959 8.304 -6.875 1.00 0.83 C ATOM 1037 C SER A 65 -8.051 7.104 -6.619 1.00 0.73 C ATOM 1038 O SER A 65 -8.183 6.065 -7.272 1.00 0.73 O ATOM 1039 CB SER A 65 -9.607 8.764 -5.577 1.00 1.02 C ATOM 1040 OG SER A 65 -10.818 8.061 -5.350 1.00 1.05 O ATOM 0 H SER A 65 -10.805 7.498 -7.426 1.00 0.78 H new ATOM 0 HA SER A 65 -8.344 9.107 -7.281 1.00 0.83 H new ATOM 0 HB2 SER A 65 -8.923 8.600 -4.744 1.00 1.02 H new ATOM 0 HB3 SER A 65 -9.804 9.835 -5.622 1.00 1.02 H new ATOM 0 HG SER A 65 -11.560 8.541 -5.774 1.00 1.05 H new ATOM 1046 N THR A 66 -7.137 7.254 -5.669 1.00 0.74 N ATOM 1047 CA THR A 66 -6.208 6.195 -5.320 1.00 0.70 C ATOM 1048 C THR A 66 -6.610 5.501 -4.022 1.00 0.61 C ATOM 1049 O THR A 66 -6.462 6.053 -2.931 1.00 0.65 O ATOM 1050 CB THR A 66 -4.771 6.742 -5.179 1.00 0.82 C ATOM 1051 OG1 THR A 66 -4.285 7.163 -6.460 1.00 1.03 O ATOM 1052 CG2 THR A 66 -3.830 5.694 -4.597 1.00 1.01 C ATOM 0 H THR A 66 -7.022 8.108 -5.124 1.00 0.74 H new ATOM 0 HA THR A 66 -6.239 5.468 -6.131 1.00 0.70 H new ATOM 0 HB THR A 66 -4.800 7.590 -4.495 1.00 0.82 H new ATOM 0 HG1 THR A 66 -4.911 7.807 -6.852 1.00 1.03 H new ATOM 0 HG21 THR A 66 -2.827 6.113 -4.512 1.00 1.01 H new ATOM 0 HG22 THR A 66 -4.184 5.395 -3.610 1.00 1.01 H new ATOM 0 HG23 THR A 66 -3.805 4.823 -5.252 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.141 4.298 -4.153 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.529 3.502 -3.000 1.00 0.52 C ATOM 1062 C LEU A 67 -6.523 2.371 -2.849 1.00 0.51 C ATOM 1063 O LEU A 67 -6.150 1.746 -3.837 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.945 2.933 -3.170 1.00 0.51 C ATOM 1065 CG LEU A 67 -10.092 3.888 -2.818 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -10.285 4.935 -3.904 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -11.378 3.107 -2.599 1.00 0.69 C ATOM 0 H LEU A 67 -7.314 3.848 -5.052 1.00 0.56 H new ATOM 0 HA LEU A 67 -7.536 4.130 -2.109 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -9.067 2.614 -4.205 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -9.035 2.042 -2.549 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.832 4.405 -1.894 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -11.105 5.599 -3.628 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -9.370 5.516 -4.016 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.519 4.442 -4.847 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -12.185 3.797 -2.350 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.633 2.564 -3.509 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -11.239 2.400 -1.781 1.00 0.69 H new ATOM 1079 N HIS A 68 -6.056 2.117 -1.639 1.00 0.51 N ATOM 1080 CA HIS A 68 -5.084 1.054 -1.429 1.00 0.57 C ATOM 1081 C HIS A 68 -5.711 -0.120 -0.699 1.00 0.49 C ATOM 1082 O HIS A 68 -6.324 0.049 0.354 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.877 1.576 -0.652 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.607 1.530 -1.442 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.440 0.966 -0.976 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -2.329 1.987 -2.685 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.504 1.075 -1.901 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -1.016 1.692 -2.947 1.00 1.66 N ATOM 0 H HIS A 68 -6.328 2.623 -0.796 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.748 0.709 -2.407 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -4.068 2.603 -0.342 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.754 0.987 0.257 1.00 0.68 H new ATOM 0 HD1 HIS A 68 -1.318 0.533 -0.061 1.00 1.16 H new ATOM 0 HD2 HIS A 68 -3.015 2.492 -3.349 1.00 1.50 H new ATOM 0 HE1 HIS A 68 0.512 0.718 -1.815 1.00 1.40 H new ATOM 1097 N LEU A 69 -5.561 -1.307 -1.268 1.00 0.54 N ATOM 1098 CA LEU A 69 -6.110 -2.513 -0.672 1.00 0.52 C ATOM 1099 C LEU A 69 -5.028 -3.298 0.055 1.00 0.61 C ATOM 1100 O LEU A 69 -4.096 -3.820 -0.562 1.00 0.72 O ATOM 1101 CB LEU A 69 -6.770 -3.386 -1.745 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.284 -4.748 -1.263 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.177 -4.590 -0.043 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -8.029 -5.456 -2.380 1.00 0.84 C ATOM 0 H LEU A 69 -5.062 -1.460 -2.144 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.867 -2.219 0.055 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -7.605 -2.833 -2.175 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -6.051 -3.552 -2.547 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.425 -5.355 -0.977 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.529 -5.570 0.280 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.612 -4.124 0.764 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -9.032 -3.963 -0.297 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -8.388 -6.421 -2.023 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -8.877 -4.847 -2.695 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -7.358 -5.608 -3.225 1.00 0.84 H new ATOM 1116 N VAL A 70 -5.151 -3.359 1.369 1.00 0.64 N ATOM 1117 CA VAL A 70 -4.204 -4.079 2.201 1.00 0.79 C ATOM 1118 C VAL A 70 -4.955 -5.136 3.003 1.00 0.76 C ATOM 1119 O VAL A 70 -6.177 -5.065 3.133 1.00 0.70 O ATOM 1120 CB VAL A 70 -3.446 -3.127 3.161 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -2.205 -3.799 3.733 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -3.067 -1.835 2.451 1.00 1.10 C ATOM 0 H VAL A 70 -5.907 -2.913 1.888 1.00 0.64 H new ATOM 0 HA VAL A 70 -3.463 -4.550 1.555 1.00 0.79 H new ATOM 0 HB VAL A 70 -4.115 -2.886 3.987 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -1.693 -3.108 4.403 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -2.497 -4.692 4.286 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -1.535 -4.079 2.920 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -2.536 -1.182 3.143 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -2.424 -2.062 1.601 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -3.969 -1.335 2.100 1.00 1.10 H new ATOM 1132 N LEU A 71 -4.237 -6.117 3.522 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.856 -7.179 4.300 1.00 0.85 C ATOM 1134 C LEU A 71 -4.633 -6.951 5.790 1.00 0.87 C ATOM 1135 O LEU A 71 -3.692 -6.266 6.188 1.00 1.21 O ATOM 1136 CB LEU A 71 -4.292 -8.547 3.898 1.00 0.95 C ATOM 1137 CG LEU A 71 -4.673 -9.033 2.495 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -3.667 -8.548 1.461 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -4.776 -10.552 2.467 1.00 1.37 C ATOM 0 H LEU A 71 -3.226 -6.201 3.420 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.926 -7.165 4.094 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -3.205 -8.506 3.966 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -4.630 -9.287 4.624 1.00 0.95 H new ATOM 0 HG LEU A 71 -5.647 -8.614 2.243 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -3.959 -8.906 0.474 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.643 -7.458 1.460 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.677 -8.932 1.708 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.047 -10.880 1.463 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -3.816 -10.987 2.744 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -5.539 -10.878 3.174 1.00 1.37 H new ATOM 1151 N ARG A 72 -5.514 -7.507 6.607 1.00 1.17 N ATOM 1152 CA ARG A 72 -5.392 -7.374 8.053 1.00 1.21 C ATOM 1153 C ARG A 72 -4.249 -8.244 8.565 1.00 1.35 C ATOM 1154 O ARG A 72 -4.169 -9.430 8.242 1.00 1.52 O ATOM 1155 CB ARG A 72 -6.702 -7.742 8.766 1.00 1.30 C ATOM 1156 CG ARG A 72 -7.466 -8.889 8.128 1.00 1.46 C ATOM 1157 CD ARG A 72 -7.571 -10.087 9.057 1.00 1.36 C ATOM 1158 NE ARG A 72 -6.281 -10.742 9.252 1.00 1.51 N ATOM 1159 CZ ARG A 72 -6.120 -11.919 9.847 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -7.173 -12.612 10.264 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -4.903 -12.407 10.020 1.00 1.99 N ATOM 0 H ARG A 72 -6.318 -8.052 6.297 1.00 1.17 H new ATOM 0 HA ARG A 72 -5.175 -6.329 8.276 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -6.477 -8.003 9.800 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -7.346 -6.863 8.792 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -8.466 -8.552 7.856 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -6.968 -9.188 7.205 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -7.963 -9.765 10.021 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -8.283 -10.803 8.646 1.00 1.36 H new ATOM 0 HE ARG A 72 -5.448 -10.264 8.909 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -8.114 -12.242 10.128 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -7.041 -13.515 10.720 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -4.092 -11.880 9.697 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.776 -13.310 10.476 1.00 1.99 H new ATOM 1175 N LEU A 73 -3.363 -7.655 9.355 1.00 1.36 N ATOM 1176 CA LEU A 73 -2.221 -8.384 9.889 1.00 1.55 C ATOM 1177 C LEU A 73 -2.643 -9.275 11.052 1.00 1.62 C ATOM 1178 O LEU A 73 -2.169 -10.401 11.189 1.00 1.83 O ATOM 1179 CB LEU A 73 -1.126 -7.414 10.347 1.00 1.60 C ATOM 1180 CG LEU A 73 0.115 -8.078 10.956 1.00 1.89 C ATOM 1181 CD1 LEU A 73 0.867 -8.881 9.908 1.00 2.09 C ATOM 1182 CD2 LEU A 73 1.025 -7.035 11.579 1.00 1.97 C ATOM 0 H LEU A 73 -3.412 -6.677 9.640 1.00 1.36 H new ATOM 0 HA LEU A 73 -1.824 -9.013 9.093 1.00 1.55 H new ATOM 0 HB2 LEU A 73 -0.815 -6.811 9.494 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -1.551 -6.730 11.082 1.00 1.60 H new ATOM 0 HG LEU A 73 -0.215 -8.762 11.738 1.00 1.89 H new ATOM 0 HD11 LEU A 73 1.743 -9.343 10.363 1.00 2.09 H new ATOM 0 HD12 LEU A 73 0.215 -9.657 9.507 1.00 2.09 H new ATOM 0 HD13 LEU A 73 1.183 -8.220 9.101 1.00 2.09 H new ATOM 0 HD21 LEU A 73 1.900 -7.524 12.006 1.00 1.97 H new ATOM 0 HD22 LEU A 73 1.343 -6.326 10.815 1.00 1.97 H new ATOM 0 HD23 LEU A 73 0.486 -6.505 12.364 1.00 1.97 H new ATOM 1194 N ARG A 74 -3.543 -8.769 11.880 1.00 1.51 N ATOM 1195 CA ARG A 74 -4.023 -9.516 13.032 1.00 1.62 C ATOM 1196 C ARG A 74 -5.473 -9.940 12.833 1.00 1.56 C ATOM 1197 O ARG A 74 -6.235 -9.262 12.146 1.00 1.63 O ATOM 1198 CB ARG A 74 -3.897 -8.673 14.301 1.00 1.72 C ATOM 1199 CG ARG A 74 -2.462 -8.445 14.739 1.00 1.87 C ATOM 1200 CD ARG A 74 -2.402 -7.563 15.971 1.00 2.28 C ATOM 1201 NE ARG A 74 -1.048 -7.438 16.498 1.00 2.26 N ATOM 1202 CZ ARG A 74 -0.744 -6.776 17.613 1.00 2.65 C ATOM 1203 NH1 ARG A 74 -1.701 -6.183 18.316 1.00 3.32 N ATOM 1204 NH2 ARG A 74 0.512 -6.716 18.033 1.00 2.70 N ATOM 0 H ARG A 74 -3.957 -7.842 11.776 1.00 1.51 H new ATOM 0 HA ARG A 74 -3.410 -10.411 13.137 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -4.375 -7.708 14.135 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -4.441 -9.163 15.108 1.00 1.72 H new ATOM 0 HG2 ARG A 74 -1.986 -9.403 14.950 1.00 1.87 H new ATOM 0 HG3 ARG A 74 -1.900 -7.981 13.928 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -2.786 -6.573 15.725 1.00 2.28 H new ATOM 0 HD3 ARG A 74 -3.053 -7.975 16.742 1.00 2.28 H new ATOM 0 HE ARG A 74 -0.289 -7.884 15.982 1.00 2.26 H new ATOM 0 HH11 ARG A 74 -2.670 -6.234 18.002 1.00 3.32 H new ATOM 0 HH12 ARG A 74 -1.467 -5.676 19.170 1.00 3.32 H new ATOM 0 HH21 ARG A 74 1.250 -7.178 17.502 1.00 2.70 H new ATOM 0 HH22 ARG A 74 0.740 -6.208 18.887 1.00 2.70 H new ATOM 1218 N GLY A 75 -5.844 -11.058 13.438 1.00 1.69 N ATOM 1219 CA GLY A 75 -7.196 -11.559 13.314 1.00 1.67 C ATOM 1220 C GLY A 75 -8.151 -10.857 14.252 1.00 1.77 C ATOM 1221 O GLY A 75 -9.283 -10.539 13.879 1.00 2.16 O ATOM 0 H GLY A 75 -5.228 -11.630 14.016 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -7.537 -11.430 12.287 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -7.206 -12.629 13.521 1.00 1.67 H new ATOM 1326 N LYS B 56 21.276 1.060 -7.989 1.00 0.94 N ATOM 1327 CA LYS B 56 21.145 2.061 -6.938 1.00 0.68 C ATOM 1328 C LYS B 56 20.015 3.014 -7.298 1.00 0.61 C ATOM 1329 O LYS B 56 19.886 3.412 -8.459 1.00 0.68 O ATOM 1330 CB LYS B 56 22.455 2.842 -6.763 1.00 0.81 C ATOM 1331 CG LYS B 56 23.658 1.970 -6.433 1.00 1.31 C ATOM 1332 CD LYS B 56 23.584 1.421 -5.019 1.00 0.93 C ATOM 1333 CE LYS B 56 24.686 0.407 -4.763 1.00 1.34 C ATOM 1334 NZ LYS B 56 24.798 0.056 -3.327 1.00 1.52 N ATOM 0 HA LYS B 56 20.921 1.561 -5.996 1.00 0.68 H new ATOM 0 HB2 LYS B 56 22.661 3.395 -7.679 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.324 3.577 -5.969 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.714 1.144 -7.142 1.00 1.31 H new ATOM 0 HG3 LYS B 56 24.572 2.552 -6.550 1.00 1.31 H new ATOM 0 HD2 LYS B 56 23.667 2.239 -4.304 1.00 0.93 H new ATOM 0 HD3 LYS B 56 22.612 0.954 -4.858 1.00 0.93 H new ATOM 0 HE2 LYS B 56 24.489 -0.495 -5.342 1.00 1.34 H new ATOM 0 HE3 LYS B 56 25.637 0.809 -5.113 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 25.452 -0.745 -3.215 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 25.159 0.875 -2.797 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 23.861 -0.208 -2.960 1.00 1.52 H new ATOM 1348 N VAL B 57 19.192 3.373 -6.327 1.00 0.56 N ATOM 1349 CA VAL B 57 18.074 4.273 -6.582 1.00 0.53 C ATOM 1350 C VAL B 57 18.203 5.541 -5.740 1.00 0.53 C ATOM 1351 O VAL B 57 18.650 5.489 -4.594 1.00 0.57 O ATOM 1352 CB VAL B 57 16.712 3.605 -6.294 1.00 0.49 C ATOM 1353 CG1 VAL B 57 15.601 4.327 -7.043 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.736 2.129 -6.664 1.00 0.54 C ATOM 0 H VAL B 57 19.274 3.059 -5.360 1.00 0.56 H new ATOM 0 HA VAL B 57 18.110 4.528 -7.641 1.00 0.53 H new ATOM 0 HB VAL B 57 16.517 3.678 -5.224 1.00 0.49 H new ATOM 0 HG11 VAL B 57 14.646 3.845 -6.831 1.00 0.57 H new ATOM 0 HG12 VAL B 57 15.562 5.368 -6.721 1.00 0.57 H new ATOM 0 HG13 VAL B 57 15.798 4.286 -8.114 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.764 1.685 -6.450 1.00 0.54 H new ATOM 0 HG22 VAL B 57 16.958 2.024 -7.726 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.504 1.620 -6.081 1.00 0.54 H new ATOM 1364 N LEU B 58 17.807 6.671 -6.313 1.00 0.64 N ATOM 1365 CA LEU B 58 17.887 7.956 -5.629 1.00 0.67 C ATOM 1366 C LEU B 58 16.565 8.323 -4.953 1.00 0.67 C ATOM 1367 O LEU B 58 15.486 8.148 -5.528 1.00 0.97 O ATOM 1368 CB LEU B 58 18.273 9.050 -6.631 1.00 0.85 C ATOM 1369 CG LEU B 58 18.630 10.402 -6.015 1.00 0.87 C ATOM 1370 CD1 LEU B 58 20.094 10.432 -5.609 1.00 1.04 C ATOM 1371 CD2 LEU B 58 18.328 11.527 -6.990 1.00 1.26 C ATOM 0 H LEU B 58 17.424 6.723 -7.257 1.00 0.64 H new ATOM 0 HA LEU B 58 18.648 7.874 -4.853 1.00 0.67 H new ATOM 0 HB2 LEU B 58 19.123 8.700 -7.217 1.00 0.85 H new ATOM 0 HB3 LEU B 58 17.445 9.193 -7.325 1.00 0.85 H new ATOM 0 HG LEU B 58 18.021 10.545 -5.123 1.00 0.87 H new ATOM 0 HD11 LEU B 58 20.331 11.402 -5.172 1.00 1.04 H new ATOM 0 HD12 LEU B 58 20.284 9.648 -4.876 1.00 1.04 H new ATOM 0 HD13 LEU B 58 20.719 10.267 -6.487 1.00 1.04 H new ATOM 0 HD21 LEU B 58 18.588 12.483 -6.535 1.00 1.26 H new ATOM 0 HD22 LEU B 58 18.912 11.387 -7.899 1.00 1.26 H new ATOM 0 HD23 LEU B 58 17.266 11.520 -7.236 1.00 1.26 H new ATOM 1383 N TYR B 59 16.663 8.813 -3.727 1.00 0.54 N ATOM 1384 CA TYR B 59 15.499 9.239 -2.968 1.00 0.57 C ATOM 1385 C TYR B 59 15.862 10.457 -2.119 1.00 0.58 C ATOM 1386 O TYR B 59 16.863 10.447 -1.400 1.00 0.62 O ATOM 1387 CB TYR B 59 14.955 8.083 -2.100 1.00 0.63 C ATOM 1388 CG TYR B 59 15.375 8.105 -0.647 1.00 0.72 C ATOM 1389 CD1 TYR B 59 16.604 7.599 -0.247 1.00 0.75 C ATOM 1390 CD2 TYR B 59 14.531 8.631 0.323 1.00 0.88 C ATOM 1391 CE1 TYR B 59 16.983 7.618 1.080 1.00 0.97 C ATOM 1392 CE2 TYR B 59 14.902 8.655 1.651 1.00 1.05 C ATOM 1393 CZ TYR B 59 16.130 8.148 2.024 1.00 1.10 C ATOM 1394 OH TYR B 59 16.505 8.171 3.347 1.00 1.35 O ATOM 0 H TYR B 59 17.548 8.926 -3.232 1.00 0.54 H new ATOM 0 HA TYR B 59 14.704 9.522 -3.658 1.00 0.57 H new ATOM 0 HB2 TYR B 59 13.866 8.099 -2.145 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.278 7.139 -2.539 1.00 0.63 H new ATOM 0 HD1 TYR B 59 17.274 7.184 -0.985 1.00 0.75 H new ATOM 0 HD2 TYR B 59 13.569 9.027 0.033 1.00 0.88 H new ATOM 0 HE1 TYR B 59 17.942 7.220 1.377 1.00 0.97 H new ATOM 0 HE2 TYR B 59 14.236 9.068 2.394 1.00 1.05 H new ATOM 0 HH TYR B 59 15.792 8.578 3.882 1.00 1.35 H new ATOM 1404 N GLU B 60 15.083 11.523 -2.262 1.00 0.64 N ATOM 1405 CA GLU B 60 15.294 12.763 -1.511 1.00 0.68 C ATOM 1406 C GLU B 60 16.715 13.310 -1.692 1.00 0.74 C ATOM 1407 O GLU B 60 17.267 13.934 -0.787 1.00 0.82 O ATOM 1408 CB GLU B 60 14.996 12.546 -0.024 1.00 0.75 C ATOM 1409 CG GLU B 60 13.514 12.389 0.280 1.00 0.88 C ATOM 1410 CD GLU B 60 13.225 12.307 1.765 1.00 1.88 C ATOM 1411 OE1 GLU B 60 13.726 13.164 2.528 1.00 2.51 O ATOM 1412 OE2 GLU B 60 12.493 11.389 2.182 1.00 2.64 O ATOM 0 H GLU B 60 14.288 11.556 -2.900 1.00 0.64 H new ATOM 0 HA GLU B 60 14.603 13.505 -1.911 1.00 0.68 H new ATOM 0 HB2 GLU B 60 15.525 11.657 0.319 1.00 0.75 H new ATOM 0 HB3 GLU B 60 15.388 13.390 0.544 1.00 0.75 H new ATOM 0 HG2 GLU B 60 12.969 13.232 -0.146 1.00 0.88 H new ATOM 0 HG3 GLU B 60 13.141 11.489 -0.208 1.00 0.88 H new ATOM 1419 N GLY B 61 17.298 13.073 -2.860 1.00 0.81 N ATOM 1420 CA GLY B 61 18.640 13.556 -3.135 1.00 0.99 C ATOM 1421 C GLY B 61 19.725 12.638 -2.602 1.00 1.03 C ATOM 1422 O GLY B 61 20.910 12.969 -2.664 1.00 1.27 O ATOM 0 H GLY B 61 16.866 12.554 -3.624 1.00 0.81 H new ATOM 0 HA2 GLY B 61 18.765 13.669 -4.212 1.00 0.99 H new ATOM 0 HA3 GLY B 61 18.761 14.546 -2.694 1.00 0.99 H new ATOM 1426 N LYS B 62 19.328 11.495 -2.066 1.00 0.90 N ATOM 1427 CA LYS B 62 20.279 10.527 -1.537 1.00 1.00 C ATOM 1428 C LYS B 62 20.140 9.207 -2.279 1.00 0.88 C ATOM 1429 O LYS B 62 19.029 8.724 -2.485 1.00 0.78 O ATOM 1430 CB LYS B 62 20.053 10.313 -0.038 1.00 1.08 C ATOM 1431 CG LYS B 62 20.891 9.190 0.557 1.00 1.44 C ATOM 1432 CD LYS B 62 20.469 8.868 1.981 1.00 1.44 C ATOM 1433 CE LYS B 62 21.037 9.865 2.976 1.00 1.32 C ATOM 1434 NZ LYS B 62 20.816 9.426 4.378 1.00 1.45 N ATOM 0 H LYS B 62 18.351 11.213 -1.985 1.00 0.90 H new ATOM 0 HA LYS B 62 21.287 10.915 -1.682 1.00 1.00 H new ATOM 0 HB2 LYS B 62 20.278 11.240 0.490 1.00 1.08 H new ATOM 0 HB3 LYS B 62 18.999 10.097 0.133 1.00 1.08 H new ATOM 0 HG2 LYS B 62 20.795 8.298 -0.062 1.00 1.44 H new ATOM 0 HG3 LYS B 62 21.943 9.475 0.545 1.00 1.44 H new ATOM 0 HD2 LYS B 62 19.381 8.868 2.047 1.00 1.44 H new ATOM 0 HD3 LYS B 62 20.804 7.864 2.241 1.00 1.44 H new ATOM 0 HE2 LYS B 62 22.105 9.990 2.797 1.00 1.32 H new ATOM 0 HE3 LYS B 62 20.572 10.839 2.822 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 21.217 10.131 5.030 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 19.796 9.331 4.555 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 21.281 8.508 4.532 1.00 1.45 H new ATOM 1448 N GLU B 63 21.254 8.629 -2.692 1.00 0.95 N ATOM 1449 CA GLU B 63 21.215 7.367 -3.409 1.00 0.88 C ATOM 1450 C GLU B 63 21.382 6.200 -2.448 1.00 0.89 C ATOM 1451 O GLU B 63 22.273 6.196 -1.597 1.00 1.05 O ATOM 1452 CB GLU B 63 22.279 7.322 -4.509 1.00 1.03 C ATOM 1453 CG GLU B 63 23.613 7.931 -4.112 1.00 1.17 C ATOM 1454 CD GLU B 63 24.524 8.126 -5.302 1.00 1.35 C ATOM 1455 OE1 GLU B 63 25.036 7.118 -5.835 1.00 1.35 O ATOM 1456 OE2 GLU B 63 24.718 9.287 -5.726 1.00 1.91 O ATOM 0 H GLU B 63 22.189 9.009 -2.545 1.00 0.95 H new ATOM 0 HA GLU B 63 20.239 7.282 -3.887 1.00 0.88 H new ATOM 0 HB2 GLU B 63 22.439 6.284 -4.802 1.00 1.03 H new ATOM 0 HB3 GLU B 63 21.900 7.846 -5.387 1.00 1.03 H new ATOM 0 HG2 GLU B 63 23.442 8.891 -3.625 1.00 1.17 H new ATOM 0 HG3 GLU B 63 24.103 7.286 -3.382 1.00 1.17 H new ATOM 1463 N PHE B 64 20.507 5.222 -2.584 1.00 0.78 N ATOM 1464 CA PHE B 64 20.518 4.044 -1.735 1.00 0.84 C ATOM 1465 C PHE B 64 20.531 2.790 -2.595 1.00 0.86 C ATOM 1466 O PHE B 64 20.543 2.878 -3.824 1.00 0.97 O ATOM 1467 CB PHE B 64 19.275 4.047 -0.848 1.00 0.78 C ATOM 1468 CG PHE B 64 19.566 4.019 0.623 1.00 0.85 C ATOM 1469 CD1 PHE B 64 20.004 5.156 1.281 1.00 0.98 C ATOM 1470 CD2 PHE B 64 19.387 2.854 1.352 1.00 0.89 C ATOM 1471 CE1 PHE B 64 20.261 5.131 2.639 1.00 1.07 C ATOM 1472 CE2 PHE B 64 19.640 2.825 2.708 1.00 1.01 C ATOM 1473 CZ PHE B 64 20.078 3.964 3.352 1.00 1.06 C ATOM 0 H PHE B 64 19.768 5.221 -3.287 1.00 0.78 H new ATOM 0 HA PHE B 64 21.411 4.057 -1.110 1.00 0.84 H new ATOM 0 HB2 PHE B 64 18.685 4.935 -1.073 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.660 3.183 -1.101 1.00 0.78 H new ATOM 0 HD1 PHE B 64 20.146 6.072 0.727 1.00 0.98 H new ATOM 0 HD2 PHE B 64 19.046 1.959 0.853 1.00 0.89 H new ATOM 0 HE1 PHE B 64 20.604 6.023 3.141 1.00 1.07 H new ATOM 0 HE2 PHE B 64 19.495 1.911 3.265 1.00 1.01 H new ATOM 0 HZ PHE B 64 20.277 3.942 4.413 1.00 1.06 H new ATOM 1483 N ASP B 65 20.525 1.630 -1.950 1.00 0.82 N ATOM 1484 CA ASP B 65 20.512 0.360 -2.664 1.00 0.85 C ATOM 1485 C ASP B 65 19.207 0.214 -3.426 1.00 0.82 C ATOM 1486 O ASP B 65 19.150 0.402 -4.642 1.00 0.92 O ATOM 1487 CB ASP B 65 20.674 -0.814 -1.693 1.00 0.87 C ATOM 1488 CG ASP B 65 22.121 -1.139 -1.402 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.875 -1.407 -2.363 1.00 1.57 O ATOM 1490 OD2 ASP B 65 22.503 -1.135 -0.213 1.00 1.81 O ATOM 0 H ASP B 65 20.529 1.543 -0.934 1.00 0.82 H new ATOM 0 HA ASP B 65 21.349 0.350 -3.363 1.00 0.85 H new ATOM 0 HB2 ASP B 65 20.164 -0.579 -0.759 1.00 0.87 H new ATOM 0 HB3 ASP B 65 20.186 -1.695 -2.110 1.00 0.87 H new ATOM 1495 N TYR B 66 18.151 -0.099 -2.694 1.00 0.72 N ATOM 1496 CA TYR B 66 16.834 -0.256 -3.278 1.00 0.72 C ATOM 1497 C TYR B 66 15.822 0.509 -2.447 1.00 0.59 C ATOM 1498 O TYR B 66 15.737 0.321 -1.232 1.00 0.54 O ATOM 1499 CB TYR B 66 16.448 -1.737 -3.356 1.00 0.83 C ATOM 1500 CG TYR B 66 17.298 -2.532 -4.321 1.00 1.06 C ATOM 1501 CD1 TYR B 66 17.212 -2.317 -5.692 1.00 1.21 C ATOM 1502 CD2 TYR B 66 18.186 -3.497 -3.862 1.00 1.26 C ATOM 1503 CE1 TYR B 66 17.987 -3.039 -6.576 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.964 -4.224 -4.743 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.860 -3.989 -6.097 1.00 1.62 C ATOM 1506 OH TYR B 66 19.629 -4.712 -6.980 1.00 1.92 O ATOM 0 H TYR B 66 18.184 -0.250 -1.686 1.00 0.72 H new ATOM 0 HA TYR B 66 16.846 0.143 -4.292 1.00 0.72 H new ATOM 0 HB2 TYR B 66 16.530 -2.179 -2.363 1.00 0.83 H new ATOM 0 HB3 TYR B 66 15.403 -1.817 -3.654 1.00 0.83 H new ATOM 0 HD1 TYR B 66 16.527 -1.573 -6.071 1.00 1.21 H new ATOM 0 HD2 TYR B 66 18.269 -3.682 -2.801 1.00 1.26 H new ATOM 0 HE1 TYR B 66 17.909 -2.860 -7.638 1.00 1.48 H new ATOM 0 HE2 TYR B 66 19.649 -4.972 -4.373 1.00 1.52 H new ATOM 0 HH TYR B 66 20.193 -5.341 -6.483 1.00 1.92 H new ATOM 1516 N VAL B 67 15.082 1.397 -3.086 1.00 0.71 N ATOM 1517 CA VAL B 67 14.083 2.180 -2.386 1.00 0.61 C ATOM 1518 C VAL B 67 12.686 1.798 -2.860 1.00 0.64 C ATOM 1519 O VAL B 67 12.459 1.573 -4.049 1.00 0.73 O ATOM 1520 CB VAL B 67 14.305 3.706 -2.552 1.00 0.65 C ATOM 1521 CG1 VAL B 67 15.729 4.095 -2.174 1.00 0.70 C ATOM 1522 CG2 VAL B 67 13.984 4.164 -3.968 1.00 0.73 C ATOM 0 H VAL B 67 15.154 1.593 -4.084 1.00 0.71 H new ATOM 0 HA VAL B 67 14.182 1.953 -1.325 1.00 0.61 H new ATOM 0 HB VAL B 67 13.619 4.212 -1.872 1.00 0.65 H new ATOM 0 HG11 VAL B 67 15.858 5.170 -2.299 1.00 0.70 H new ATOM 0 HG12 VAL B 67 15.916 3.826 -1.134 1.00 0.70 H new ATOM 0 HG13 VAL B 67 16.433 3.568 -2.817 1.00 0.70 H new ATOM 0 HG21 VAL B 67 14.150 5.238 -4.049 1.00 0.73 H new ATOM 0 HG22 VAL B 67 14.630 3.642 -4.674 1.00 0.73 H new ATOM 0 HG23 VAL B 67 12.942 3.940 -4.195 1.00 0.73 H new ATOM 1532 N PHE B 68 11.766 1.692 -1.923 1.00 0.64 N ATOM 1533 CA PHE B 68 10.398 1.337 -2.246 1.00 0.73 C ATOM 1534 C PHE B 68 9.527 2.582 -2.315 1.00 0.72 C ATOM 1535 O PHE B 68 9.351 3.288 -1.318 1.00 0.65 O ATOM 1536 CB PHE B 68 9.839 0.354 -1.209 1.00 0.81 C ATOM 1537 CG PHE B 68 8.367 0.075 -1.363 1.00 0.96 C ATOM 1538 CD1 PHE B 68 7.841 -0.303 -2.590 1.00 0.98 C ATOM 1539 CD2 PHE B 68 7.509 0.197 -0.282 1.00 1.19 C ATOM 1540 CE1 PHE B 68 6.490 -0.553 -2.732 1.00 1.18 C ATOM 1541 CE2 PHE B 68 6.157 -0.054 -0.422 1.00 1.37 C ATOM 1542 CZ PHE B 68 5.648 -0.429 -1.647 1.00 1.36 C ATOM 0 H PHE B 68 11.941 1.847 -0.930 1.00 0.64 H new ATOM 0 HA PHE B 68 10.390 0.853 -3.223 1.00 0.73 H new ATOM 0 HB2 PHE B 68 10.386 -0.586 -1.282 1.00 0.81 H new ATOM 0 HB3 PHE B 68 10.021 0.752 -0.211 1.00 0.81 H new ATOM 0 HD1 PHE B 68 8.495 -0.403 -3.444 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.901 0.491 0.680 1.00 1.19 H new ATOM 0 HE1 PHE B 68 6.093 -0.846 -3.693 1.00 1.18 H new ATOM 0 HE2 PHE B 68 5.499 0.044 0.429 1.00 1.37 H new ATOM 0 HZ PHE B 68 4.592 -0.625 -1.757 1.00 1.36 H new ATOM 1552 N SER B 69 9.012 2.864 -3.501 1.00 0.84 N ATOM 1553 CA SER B 69 8.141 4.007 -3.698 1.00 0.90 C ATOM 1554 C SER B 69 6.749 3.678 -3.173 1.00 0.94 C ATOM 1555 O SER B 69 6.087 2.763 -3.666 1.00 1.09 O ATOM 1556 CB SER B 69 8.093 4.365 -5.179 1.00 1.10 C ATOM 1557 OG SER B 69 9.373 4.208 -5.773 1.00 1.04 O ATOM 0 H SER B 69 9.184 2.314 -4.343 1.00 0.84 H new ATOM 0 HA SER B 69 8.526 4.866 -3.149 1.00 0.90 H new ATOM 0 HB2 SER B 69 7.369 3.729 -5.689 1.00 1.10 H new ATOM 0 HB3 SER B 69 7.754 5.394 -5.299 1.00 1.10 H new ATOM 0 HG SER B 69 9.323 4.440 -6.724 1.00 1.04 H new ATOM 1563 N ILE B 70 6.311 4.418 -2.170 1.00 0.84 N ATOM 1564 CA ILE B 70 5.014 4.182 -1.561 1.00 0.91 C ATOM 1565 C ILE B 70 3.964 5.156 -2.082 1.00 1.06 C ATOM 1566 O ILE B 70 4.122 6.374 -1.978 1.00 1.32 O ATOM 1567 CB ILE B 70 5.088 4.301 -0.024 1.00 0.88 C ATOM 1568 CG1 ILE B 70 6.343 3.603 0.507 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.836 3.711 0.619 1.00 1.05 C ATOM 1570 CD1 ILE B 70 6.681 3.966 1.936 1.00 1.25 C ATOM 0 H ILE B 70 6.836 5.190 -1.759 1.00 0.84 H new ATOM 0 HA ILE B 70 4.723 3.167 -1.832 1.00 0.91 H new ATOM 0 HB ILE B 70 5.144 5.358 0.238 1.00 0.88 H new ATOM 0 HG12 ILE B 70 6.205 2.524 0.438 1.00 0.74 H new ATOM 0 HG13 ILE B 70 7.188 3.857 -0.133 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.906 3.804 1.703 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.957 4.249 0.265 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.750 2.658 0.350 1.00 1.05 H new ATOM 0 HD11 ILE B 70 7.581 3.434 2.243 1.00 1.25 H new ATOM 0 HD12 ILE B 70 6.852 5.040 2.008 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.854 3.686 2.588 1.00 1.25 H new ATOM 1582 N ASP B 71 2.900 4.607 -2.652 1.00 0.97 N ATOM 1583 CA ASP B 71 1.798 5.403 -3.173 1.00 1.14 C ATOM 1584 C ASP B 71 0.555 5.131 -2.336 1.00 1.17 C ATOM 1585 O ASP B 71 0.393 4.027 -1.810 1.00 1.23 O ATOM 1586 CB ASP B 71 1.548 5.078 -4.658 1.00 1.26 C ATOM 1587 CG ASP B 71 0.261 4.307 -4.904 1.00 1.04 C ATOM 1588 OD1 ASP B 71 0.255 3.072 -4.716 1.00 1.52 O ATOM 1589 OD2 ASP B 71 -0.748 4.932 -5.295 1.00 1.48 O ATOM 0 H ASP B 71 2.777 3.601 -2.766 1.00 0.97 H new ATOM 0 HA ASP B 71 2.048 6.462 -3.109 1.00 1.14 H new ATOM 0 HB2 ASP B 71 1.518 6.008 -5.225 1.00 1.26 H new ATOM 0 HB3 ASP B 71 2.388 4.498 -5.041 1.00 1.26 H new ATOM 1594 N VAL B 72 -0.301 6.133 -2.191 1.00 1.48 N ATOM 1595 CA VAL B 72 -1.517 5.986 -1.401 1.00 1.59 C ATOM 1596 C VAL B 72 -2.316 7.289 -1.385 1.00 1.63 C ATOM 1597 O VAL B 72 -3.534 7.283 -1.203 1.00 1.86 O ATOM 1598 CB VAL B 72 -1.205 5.537 0.053 1.00 1.61 C ATOM 1599 CG1 VAL B 72 -0.550 6.655 0.859 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -2.464 5.036 0.746 1.00 1.87 C ATOM 0 H VAL B 72 -0.177 7.055 -2.609 1.00 1.48 H new ATOM 0 HA VAL B 72 -2.117 5.209 -1.874 1.00 1.59 H new ATOM 0 HB VAL B 72 -0.493 4.714 -0.003 1.00 1.61 H new ATOM 0 HG11 VAL B 72 -0.347 6.303 1.871 1.00 1.82 H new ATOM 0 HG12 VAL B 72 0.385 6.948 0.382 1.00 1.82 H new ATOM 0 HG13 VAL B 72 -1.220 7.514 0.901 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -2.221 4.727 1.763 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -3.205 5.835 0.777 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -2.869 4.187 0.196 1.00 1.87 H new ATOM 1610 N ASN B 73 -1.620 8.401 -1.581 1.00 1.47 N ATOM 1611 CA ASN B 73 -2.255 9.710 -1.592 1.00 1.57 C ATOM 1612 C ASN B 73 -2.425 10.206 -3.022 1.00 1.59 C ATOM 1613 O ASN B 73 -1.721 9.766 -3.932 1.00 1.71 O ATOM 1614 CB ASN B 73 -1.435 10.724 -0.782 1.00 1.67 C ATOM 1615 CG ASN B 73 -0.019 10.903 -1.305 1.00 1.70 C ATOM 1616 OD1 ASN B 73 0.622 9.950 -1.750 1.00 1.96 O ATOM 1617 ND2 ASN B 73 0.480 12.129 -1.260 1.00 1.91 N ATOM 0 H ASN B 73 -0.612 8.421 -1.735 1.00 1.47 H new ATOM 0 HA ASN B 73 -3.237 9.611 -1.130 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -1.945 11.687 -0.795 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -1.393 10.400 0.258 1.00 1.67 H new ATOM 0 HD21 ASN B 73 1.425 12.308 -1.601 1.00 1.91 H new ATOM 0 HD22 ASN B 73 -0.080 12.894 -0.885 1.00 1.91 H new ATOM 1624 N GLU B 74 -3.365 11.118 -3.215 1.00 1.59 N ATOM 1625 CA GLU B 74 -3.625 11.674 -4.529 1.00 1.64 C ATOM 1626 C GLU B 74 -3.048 13.082 -4.628 1.00 1.66 C ATOM 1627 O GLU B 74 -3.730 14.071 -4.351 1.00 1.76 O ATOM 1628 CB GLU B 74 -5.127 11.688 -4.814 1.00 1.78 C ATOM 1629 CG GLU B 74 -5.465 11.717 -6.294 1.00 2.27 C ATOM 1630 CD GLU B 74 -4.786 10.605 -7.070 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -5.302 9.472 -7.068 1.00 2.14 O ATOM 1632 OE2 GLU B 74 -3.729 10.866 -7.685 1.00 2.62 O ATOM 0 H GLU B 74 -3.961 11.488 -2.475 1.00 1.59 H new ATOM 0 HA GLU B 74 -3.140 11.047 -5.277 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -5.582 10.806 -4.363 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -5.572 12.558 -4.331 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -6.545 11.634 -6.418 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -5.169 12.679 -6.712 1.00 2.27 H new ATOM 1639 N GLY B 75 -1.781 13.161 -5.008 1.00 1.63 N ATOM 1640 CA GLY B 75 -1.116 14.444 -5.128 1.00 1.68 C ATOM 1641 C GLY B 75 -0.549 14.923 -3.804 1.00 1.56 C ATOM 1642 O GLY B 75 -1.298 15.324 -2.909 1.00 1.71 O ATOM 0 H GLY B 75 -1.198 12.356 -5.237 1.00 1.63 H new ATOM 0 HA2 GLY B 75 -0.311 14.367 -5.859 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -1.822 15.183 -5.507 1.00 1.68 H new ATOM 1646 N GLY B 76 0.767 14.883 -3.677 1.00 1.59 N ATOM 1647 CA GLY B 76 1.410 15.309 -2.454 1.00 1.48 C ATOM 1648 C GLY B 76 2.833 14.804 -2.365 1.00 1.42 C ATOM 1649 O GLY B 76 3.429 14.468 -3.384 1.00 1.49 O ATOM 0 H GLY B 76 1.405 14.561 -4.405 1.00 1.59 H new ATOM 0 HA2 GLY B 76 1.406 16.398 -2.401 1.00 1.48 H new ATOM 0 HA3 GLY B 76 0.841 14.946 -1.598 1.00 1.48 H new ATOM 1653 N PRO B 77 3.405 14.733 -1.156 1.00 1.37 N ATOM 1654 CA PRO B 77 4.778 14.262 -0.951 1.00 1.36 C ATOM 1655 C PRO B 77 4.922 12.765 -1.216 1.00 1.22 C ATOM 1656 O PRO B 77 4.218 11.950 -0.618 1.00 1.17 O ATOM 1657 CB PRO B 77 5.058 14.569 0.532 1.00 1.41 C ATOM 1658 CG PRO B 77 3.941 15.454 0.978 1.00 1.47 C ATOM 1659 CD PRO B 77 2.767 15.109 0.111 1.00 1.43 C ATOM 0 HA PRO B 77 5.474 14.746 -1.636 1.00 1.36 H new ATOM 0 HB2 PRO B 77 5.092 13.653 1.122 1.00 1.41 H new ATOM 0 HB3 PRO B 77 6.022 15.063 0.655 1.00 1.41 H new ATOM 0 HG2 PRO B 77 3.710 15.290 2.031 1.00 1.47 H new ATOM 0 HG3 PRO B 77 4.210 16.505 0.871 1.00 1.47 H new ATOM 0 HD2 PRO B 77 2.181 14.290 0.529 1.00 1.43 H new ATOM 0 HD3 PRO B 77 2.091 15.955 -0.011 1.00 1.43 H new ATOM 1667 N SER B 78 5.823 12.410 -2.121 1.00 1.24 N ATOM 1668 CA SER B 78 6.062 11.015 -2.449 1.00 1.16 C ATOM 1669 C SER B 78 6.951 10.372 -1.389 1.00 0.96 C ATOM 1670 O SER B 78 7.971 10.944 -0.989 1.00 0.91 O ATOM 1671 CB SER B 78 6.713 10.898 -3.826 1.00 1.33 C ATOM 1672 OG SER B 78 6.172 11.853 -4.728 1.00 1.66 O ATOM 0 H SER B 78 6.400 13.071 -2.641 1.00 1.24 H new ATOM 0 HA SER B 78 5.106 10.492 -2.471 1.00 1.16 H new ATOM 0 HB2 SER B 78 7.789 11.046 -3.737 1.00 1.33 H new ATOM 0 HB3 SER B 78 6.561 9.893 -4.220 1.00 1.33 H new ATOM 0 HG SER B 78 6.605 11.760 -5.602 1.00 1.66 H new ATOM 1678 N TYR B 79 6.568 9.188 -0.937 1.00 0.93 N ATOM 1679 CA TYR B 79 7.327 8.483 0.084 1.00 0.77 C ATOM 1680 C TYR B 79 8.198 7.393 -0.535 1.00 0.70 C ATOM 1681 O TYR B 79 7.721 6.576 -1.319 1.00 0.70 O ATOM 1682 CB TYR B 79 6.381 7.868 1.119 1.00 0.82 C ATOM 1683 CG TYR B 79 5.519 8.882 1.835 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.040 9.673 2.849 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.183 9.049 1.493 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.253 10.599 3.506 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.390 9.973 2.143 1.00 1.40 C ATOM 1688 CZ TYR B 79 3.930 10.747 3.148 1.00 1.40 C ATOM 1689 OH TYR B 79 3.144 11.667 3.800 1.00 1.64 O ATOM 0 H TYR B 79 5.736 8.695 -1.261 1.00 0.93 H new ATOM 0 HA TYR B 79 7.978 9.205 0.578 1.00 0.77 H new ATOM 0 HB2 TYR B 79 5.736 7.143 0.623 1.00 0.82 H new ATOM 0 HB3 TYR B 79 6.969 7.320 1.855 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.077 9.563 3.129 1.00 1.03 H new ATOM 0 HD2 TYR B 79 3.757 8.445 0.705 1.00 1.22 H new ATOM 0 HE1 TYR B 79 5.672 11.204 4.296 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.353 10.089 1.866 1.00 1.40 H new ATOM 0 HH TYR B 79 2.238 11.646 3.427 1.00 1.64 H new ATOM 1699 N LYS B 80 9.477 7.398 -0.187 1.00 0.71 N ATOM 1700 CA LYS B 80 10.420 6.406 -0.680 1.00 0.68 C ATOM 1701 C LYS B 80 11.136 5.754 0.497 1.00 0.61 C ATOM 1702 O LYS B 80 11.863 6.421 1.232 1.00 0.62 O ATOM 1703 CB LYS B 80 11.448 7.046 -1.620 1.00 0.72 C ATOM 1704 CG LYS B 80 10.929 7.326 -3.023 1.00 0.93 C ATOM 1705 CD LYS B 80 12.061 7.270 -4.037 1.00 1.14 C ATOM 1706 CE LYS B 80 11.669 7.866 -5.375 1.00 1.42 C ATOM 1707 NZ LYS B 80 12.760 7.719 -6.378 1.00 2.09 N ATOM 0 H LYS B 80 9.888 8.087 0.443 1.00 0.71 H new ATOM 0 HA LYS B 80 9.867 5.651 -1.239 1.00 0.68 H new ATOM 0 HB2 LYS B 80 11.792 7.982 -1.179 1.00 0.72 H new ATOM 0 HB3 LYS B 80 12.315 6.390 -1.691 1.00 0.72 H new ATOM 0 HG2 LYS B 80 10.163 6.596 -3.285 1.00 0.93 H new ATOM 0 HG3 LYS B 80 10.457 8.308 -3.052 1.00 0.93 H new ATOM 0 HD2 LYS B 80 12.925 7.805 -3.643 1.00 1.14 H new ATOM 0 HD3 LYS B 80 12.366 6.233 -4.180 1.00 1.14 H new ATOM 0 HE2 LYS B 80 10.767 7.377 -5.742 1.00 1.42 H new ATOM 0 HE3 LYS B 80 11.430 8.922 -5.248 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 12.620 8.405 -7.147 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 13.678 7.894 -5.921 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 12.746 6.755 -6.768 1.00 2.09 H new ATOM 1721 N LEU B 81 10.922 4.462 0.680 1.00 0.59 N ATOM 1722 CA LEU B 81 11.545 3.733 1.777 1.00 0.58 C ATOM 1723 C LEU B 81 12.880 3.141 1.343 1.00 0.52 C ATOM 1724 O LEU B 81 12.928 2.282 0.464 1.00 0.50 O ATOM 1725 CB LEU B 81 10.614 2.620 2.269 1.00 0.65 C ATOM 1726 CG LEU B 81 10.731 2.281 3.755 1.00 0.73 C ATOM 1727 CD1 LEU B 81 9.450 1.639 4.251 1.00 0.81 C ATOM 1728 CD2 LEU B 81 11.915 1.358 4.010 1.00 0.96 C ATOM 0 H LEU B 81 10.321 3.894 0.083 1.00 0.59 H new ATOM 0 HA LEU B 81 11.726 4.433 2.593 1.00 0.58 H new ATOM 0 HB2 LEU B 81 9.585 2.911 2.059 1.00 0.65 H new ATOM 0 HB3 LEU B 81 10.815 1.718 1.690 1.00 0.65 H new ATOM 0 HG LEU B 81 10.896 3.208 4.303 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.548 1.403 5.311 1.00 0.81 H new ATOM 0 HD12 LEU B 81 8.618 2.329 4.108 1.00 0.81 H new ATOM 0 HD13 LEU B 81 9.262 0.723 3.691 1.00 0.81 H new ATOM 0 HD21 LEU B 81 11.977 1.131 5.074 1.00 0.96 H new ATOM 0 HD22 LEU B 81 11.783 0.433 3.449 1.00 0.96 H new ATOM 0 HD23 LEU B 81 12.834 1.848 3.689 1.00 0.96 H new ATOM 1740 N PRO B 82 13.988 3.610 1.936 1.00 0.57 N ATOM 1741 CA PRO B 82 15.325 3.120 1.610 1.00 0.58 C ATOM 1742 C PRO B 82 15.638 1.800 2.313 1.00 0.59 C ATOM 1743 O PRO B 82 15.428 1.666 3.517 1.00 0.67 O ATOM 1744 CB PRO B 82 16.230 4.237 2.123 1.00 0.67 C ATOM 1745 CG PRO B 82 15.489 4.822 3.277 1.00 0.72 C ATOM 1746 CD PRO B 82 14.022 4.664 2.968 1.00 0.67 C ATOM 0 HA PRO B 82 15.447 2.908 0.548 1.00 0.58 H new ATOM 0 HB2 PRO B 82 17.201 3.850 2.431 1.00 0.67 H new ATOM 0 HB3 PRO B 82 16.414 4.984 1.351 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.748 4.310 4.204 1.00 0.72 H new ATOM 0 HG3 PRO B 82 15.746 5.873 3.411 1.00 0.72 H new ATOM 0 HD2 PRO B 82 13.456 4.374 3.853 1.00 0.67 H new ATOM 0 HD3 PRO B 82 13.588 5.595 2.603 1.00 0.67 H new ATOM 1754 N TYR B 83 16.142 0.829 1.561 1.00 0.60 N ATOM 1755 CA TYR B 83 16.470 -0.474 2.119 1.00 0.63 C ATOM 1756 C TYR B 83 17.797 -0.993 1.571 1.00 0.67 C ATOM 1757 O TYR B 83 18.069 -0.894 0.371 1.00 0.66 O ATOM 1758 CB TYR B 83 15.335 -1.462 1.805 1.00 0.63 C ATOM 1759 CG TYR B 83 15.625 -2.902 2.176 1.00 0.69 C ATOM 1760 CD1 TYR B 83 15.732 -3.293 3.504 1.00 0.72 C ATOM 1761 CD2 TYR B 83 15.779 -3.874 1.194 1.00 0.73 C ATOM 1762 CE1 TYR B 83 15.992 -4.608 3.844 1.00 0.79 C ATOM 1763 CE2 TYR B 83 16.039 -5.192 1.524 1.00 0.80 C ATOM 1764 CZ TYR B 83 16.144 -5.554 2.849 1.00 0.83 C ATOM 1765 OH TYR B 83 16.402 -6.867 3.181 1.00 0.91 O ATOM 0 H TYR B 83 16.332 0.921 0.563 1.00 0.60 H new ATOM 0 HA TYR B 83 16.578 -0.375 3.199 1.00 0.63 H new ATOM 0 HB2 TYR B 83 14.436 -1.140 2.331 1.00 0.63 H new ATOM 0 HB3 TYR B 83 15.115 -1.414 0.739 1.00 0.63 H new ATOM 0 HD1 TYR B 83 15.610 -2.557 4.285 1.00 0.72 H new ATOM 0 HD2 TYR B 83 15.694 -3.595 0.154 1.00 0.73 H new ATOM 0 HE1 TYR B 83 16.076 -4.894 4.882 1.00 0.79 H new ATOM 0 HE2 TYR B 83 16.159 -5.933 0.747 1.00 0.80 H new ATOM 0 HH TYR B 83 16.792 -6.907 4.079 1.00 0.91 H new ATOM 1775 N ASN B 84 18.632 -1.524 2.458 1.00 0.77 N ATOM 1776 CA ASN B 84 19.920 -2.085 2.062 1.00 0.84 C ATOM 1777 C ASN B 84 19.792 -3.597 1.983 1.00 0.81 C ATOM 1778 O ASN B 84 18.942 -4.180 2.651 1.00 0.80 O ATOM 1779 CB ASN B 84 21.035 -1.726 3.050 1.00 0.93 C ATOM 1780 CG ASN B 84 21.322 -0.240 3.127 1.00 1.33 C ATOM 1781 OD1 ASN B 84 20.911 0.431 4.073 1.00 2.02 O ATOM 1782 ND2 ASN B 84 22.022 0.284 2.130 1.00 1.93 N ATOM 0 H ASN B 84 18.440 -1.578 3.458 1.00 0.77 H new ATOM 0 HA ASN B 84 20.188 -1.663 1.093 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.760 -2.086 4.041 1.00 0.93 H new ATOM 0 HB3 ASN B 84 21.947 -2.249 2.762 1.00 0.93 H new ATOM 0 HD21 ASN B 84 22.239 1.281 2.128 1.00 1.93 H new ATOM 0 HD22 ASN B 84 22.343 -0.310 1.365 1.00 1.93 H new ATOM 1789 N THR B 85 20.637 -4.235 1.187 1.00 0.83 N ATOM 1790 CA THR B 85 20.591 -5.684 1.037 1.00 0.83 C ATOM 1791 C THR B 85 20.961 -6.402 2.337 1.00 0.83 C ATOM 1792 O THR B 85 20.664 -7.585 2.513 1.00 0.96 O ATOM 1793 CB THR B 85 21.535 -6.145 -0.086 1.00 0.94 C ATOM 1794 OG1 THR B 85 22.182 -5.003 -0.670 1.00 1.11 O ATOM 1795 CG2 THR B 85 20.765 -6.903 -1.156 1.00 1.17 C ATOM 0 H THR B 85 21.361 -3.775 0.636 1.00 0.83 H new ATOM 0 HA THR B 85 19.564 -5.945 0.780 1.00 0.83 H new ATOM 0 HB THR B 85 22.285 -6.812 0.339 1.00 0.94 H new ATOM 0 HG1 THR B 85 22.785 -5.298 -1.384 1.00 1.11 H new ATOM 0 HG21 THR B 85 21.451 -7.221 -1.942 1.00 1.17 H new ATOM 0 HG22 THR B 85 20.291 -7.779 -0.712 1.00 1.17 H new ATOM 0 HG23 THR B 85 20.000 -6.254 -1.583 1.00 1.17 H new ATOM 1803 N SER B 86 21.600 -5.681 3.247 1.00 0.84 N ATOM 1804 CA SER B 86 22.014 -6.244 4.522 1.00 0.88 C ATOM 1805 C SER B 86 21.197 -5.675 5.684 1.00 0.91 C ATOM 1806 O SER B 86 21.672 -5.624 6.819 1.00 1.14 O ATOM 1807 CB SER B 86 23.500 -5.955 4.733 1.00 0.93 C ATOM 1808 OG SER B 86 23.876 -4.747 4.085 1.00 1.23 O ATOM 0 H SER B 86 21.844 -4.698 3.124 1.00 0.84 H new ATOM 0 HA SER B 86 21.840 -7.320 4.499 1.00 0.88 H new ATOM 0 HB2 SER B 86 23.713 -5.883 5.799 1.00 0.93 H new ATOM 0 HB3 SER B 86 24.095 -6.782 4.345 1.00 0.93 H new ATOM 0 HG SER B 86 24.830 -4.579 4.234 1.00 1.23 H new ATOM 1814 N ASP B 87 19.969 -5.252 5.407 1.00 0.85 N ATOM 1815 CA ASP B 87 19.115 -4.686 6.449 1.00 0.88 C ATOM 1816 C ASP B 87 17.916 -5.589 6.719 1.00 0.90 C ATOM 1817 O ASP B 87 17.601 -6.477 5.923 1.00 0.94 O ATOM 1818 CB ASP B 87 18.634 -3.287 6.053 1.00 0.89 C ATOM 1819 CG ASP B 87 18.368 -2.401 7.256 1.00 0.82 C ATOM 1820 OD1 ASP B 87 17.294 -2.532 7.879 1.00 1.09 O ATOM 1821 OD2 ASP B 87 19.240 -1.567 7.588 1.00 1.13 O ATOM 0 H ASP B 87 19.544 -5.289 4.480 1.00 0.85 H new ATOM 0 HA ASP B 87 19.707 -4.610 7.361 1.00 0.88 H new ATOM 0 HB2 ASP B 87 19.383 -2.815 5.417 1.00 0.89 H new ATOM 0 HB3 ASP B 87 17.723 -3.374 5.461 1.00 0.89 H new ATOM 1826 N ASP B 88 17.242 -5.343 7.833 1.00 0.94 N ATOM 1827 CA ASP B 88 16.077 -6.125 8.225 1.00 0.97 C ATOM 1828 C ASP B 88 14.813 -5.314 7.972 1.00 0.93 C ATOM 1829 O ASP B 88 14.678 -4.216 8.506 1.00 0.91 O ATOM 1830 CB ASP B 88 16.170 -6.508 9.705 1.00 1.06 C ATOM 1831 CG ASP B 88 16.245 -8.007 9.917 1.00 1.42 C ATOM 1832 OD1 ASP B 88 16.422 -8.748 8.926 1.00 1.60 O ATOM 1833 OD2 ASP B 88 16.132 -8.451 11.082 1.00 1.90 O ATOM 0 H ASP B 88 17.485 -4.600 8.488 1.00 0.94 H new ATOM 0 HA ASP B 88 16.043 -7.039 7.632 1.00 0.97 H new ATOM 0 HB2 ASP B 88 17.051 -6.039 10.143 1.00 1.06 H new ATOM 0 HB3 ASP B 88 15.302 -6.113 10.234 1.00 1.06 H new ATOM 1838 N PRO B 89 13.865 -5.847 7.178 1.00 0.94 N ATOM 1839 CA PRO B 89 12.614 -5.153 6.818 1.00 0.93 C ATOM 1840 C PRO B 89 11.912 -4.488 8.000 1.00 0.88 C ATOM 1841 O PRO B 89 11.461 -3.349 7.896 1.00 0.82 O ATOM 1842 CB PRO B 89 11.727 -6.264 6.231 1.00 0.99 C ATOM 1843 CG PRO B 89 12.467 -7.545 6.454 1.00 1.06 C ATOM 1844 CD PRO B 89 13.919 -7.183 6.572 1.00 0.99 C ATOM 0 HA PRO B 89 12.818 -4.333 6.129 1.00 0.93 H new ATOM 0 HB2 PRO B 89 10.754 -6.286 6.721 1.00 0.99 H new ATOM 0 HB3 PRO B 89 11.546 -6.098 5.169 1.00 0.99 H new ATOM 0 HG2 PRO B 89 12.117 -8.043 7.358 1.00 1.06 H new ATOM 0 HG3 PRO B 89 12.305 -8.236 5.626 1.00 1.06 H new ATOM 0 HD2 PRO B 89 14.464 -7.890 7.197 1.00 0.99 H new ATOM 0 HD3 PRO B 89 14.414 -7.168 5.601 1.00 0.99 H new ATOM 1852 N TRP B 90 11.831 -5.195 9.117 1.00 0.93 N ATOM 1853 CA TRP B 90 11.170 -4.681 10.315 1.00 0.92 C ATOM 1854 C TRP B 90 11.879 -3.443 10.855 1.00 0.91 C ATOM 1855 O TRP B 90 11.249 -2.549 11.420 1.00 0.92 O ATOM 1856 CB TRP B 90 11.120 -5.765 11.403 1.00 1.02 C ATOM 1857 CG TRP B 90 11.412 -7.147 10.889 1.00 1.06 C ATOM 1858 CD1 TRP B 90 12.629 -7.764 10.854 1.00 1.19 C ATOM 1859 CD2 TRP B 90 10.474 -8.076 10.336 1.00 1.27 C ATOM 1860 NE1 TRP B 90 12.507 -9.014 10.303 1.00 1.42 N ATOM 1861 CE2 TRP B 90 11.196 -9.234 9.980 1.00 1.46 C ATOM 1862 CE3 TRP B 90 9.098 -8.047 10.108 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 10.583 -10.347 9.409 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 8.493 -9.150 9.538 1.00 1.84 C ATOM 1865 CH2 TRP B 90 9.235 -10.288 9.193 1.00 1.97 C ATOM 0 H TRP B 90 12.217 -6.133 9.222 1.00 0.93 H new ATOM 0 HA TRP B 90 10.155 -4.399 10.037 1.00 0.92 H new ATOM 0 HB2 TRP B 90 11.839 -5.517 12.184 1.00 1.02 H new ATOM 0 HB3 TRP B 90 10.133 -5.759 11.865 1.00 1.02 H new ATOM 0 HD1 TRP B 90 13.553 -7.331 11.208 1.00 1.19 H new ATOM 0 HE1 TRP B 90 13.271 -9.674 10.157 1.00 1.42 H new ATOM 0 HE3 TRP B 90 8.516 -7.177 10.373 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 11.153 -11.226 9.146 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 7.429 -9.135 9.355 1.00 1.84 H new ATOM 0 HH2 TRP B 90 8.732 -11.134 8.748 1.00 1.97 H new ATOM 1876 N LEU B 91 13.189 -3.383 10.662 1.00 0.95 N ATOM 1877 CA LEU B 91 13.974 -2.259 11.147 1.00 0.97 C ATOM 1878 C LEU B 91 13.940 -1.101 10.157 1.00 0.88 C ATOM 1879 O LEU B 91 13.716 0.045 10.545 1.00 0.88 O ATOM 1880 CB LEU B 91 15.421 -2.686 11.414 1.00 1.07 C ATOM 1881 CG LEU B 91 15.594 -3.774 12.480 1.00 1.11 C ATOM 1882 CD1 LEU B 91 17.067 -4.085 12.683 1.00 1.24 C ATOM 1883 CD2 LEU B 91 14.956 -3.346 13.794 1.00 1.17 C ATOM 0 H LEU B 91 13.729 -4.098 10.174 1.00 0.95 H new ATOM 0 HA LEU B 91 13.531 -1.921 12.084 1.00 0.97 H new ATOM 0 HB2 LEU B 91 15.856 -3.042 10.480 1.00 1.07 H new ATOM 0 HB3 LEU B 91 15.992 -1.808 11.717 1.00 1.07 H new ATOM 0 HG LEU B 91 15.091 -4.677 12.134 1.00 1.11 H new ATOM 0 HD11 LEU B 91 17.174 -4.859 13.443 1.00 1.24 H new ATOM 0 HD12 LEU B 91 17.498 -4.435 11.745 1.00 1.24 H new ATOM 0 HD13 LEU B 91 17.588 -3.184 13.007 1.00 1.24 H new ATOM 0 HD21 LEU B 91 15.090 -4.132 14.537 1.00 1.17 H new ATOM 0 HD22 LEU B 91 15.429 -2.429 14.147 1.00 1.17 H new ATOM 0 HD23 LEU B 91 13.891 -3.169 13.641 1.00 1.17 H new ATOM 1895 N THR B 92 14.144 -1.399 8.879 1.00 0.81 N ATOM 1896 CA THR B 92 14.144 -0.367 7.850 1.00 0.74 C ATOM 1897 C THR B 92 12.774 0.291 7.726 1.00 0.69 C ATOM 1898 O THR B 92 12.674 1.510 7.558 1.00 0.68 O ATOM 1899 CB THR B 92 14.569 -0.941 6.489 1.00 0.73 C ATOM 1900 OG1 THR B 92 14.876 -2.333 6.620 1.00 0.79 O ATOM 1901 CG2 THR B 92 15.783 -0.201 5.956 1.00 0.84 C ATOM 0 H THR B 92 14.311 -2.343 8.532 1.00 0.81 H new ATOM 0 HA THR B 92 14.868 0.389 8.153 1.00 0.74 H new ATOM 0 HB THR B 92 13.743 -0.816 5.788 1.00 0.73 H new ATOM 0 HG1 THR B 92 15.734 -2.437 7.083 1.00 0.79 H new ATOM 0 HG21 THR B 92 16.070 -0.620 4.992 1.00 0.84 H new ATOM 0 HG22 THR B 92 15.541 0.855 5.835 1.00 0.84 H new ATOM 0 HG23 THR B 92 16.610 -0.306 6.658 1.00 0.84 H new ATOM 1909 N ALA B 93 11.717 -0.509 7.831 1.00 0.72 N ATOM 1910 CA ALA B 93 10.363 0.011 7.742 1.00 0.74 C ATOM 1911 C ALA B 93 10.095 0.983 8.881 1.00 0.78 C ATOM 1912 O ALA B 93 9.565 2.074 8.672 1.00 0.78 O ATOM 1913 CB ALA B 93 9.350 -1.122 7.759 1.00 0.82 C ATOM 0 H ALA B 93 11.775 -1.517 7.977 1.00 0.72 H new ATOM 0 HA ALA B 93 10.261 0.545 6.797 1.00 0.74 H new ATOM 0 HB1 ALA B 93 8.343 -0.711 7.691 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.529 -1.783 6.911 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.450 -1.686 8.686 1.00 0.82 H new ATOM 1919 N TYR B 94 10.493 0.589 10.088 1.00 0.82 N ATOM 1920 CA TYR B 94 10.308 1.419 11.269 1.00 0.90 C ATOM 1921 C TYR B 94 11.172 2.677 11.175 1.00 0.88 C ATOM 1922 O TYR B 94 10.772 3.757 11.617 1.00 0.90 O ATOM 1923 CB TYR B 94 10.652 0.625 12.536 1.00 0.98 C ATOM 1924 CG TYR B 94 10.736 1.477 13.783 1.00 1.23 C ATOM 1925 CD1 TYR B 94 9.591 2.014 14.358 1.00 1.31 C ATOM 1926 CD2 TYR B 94 11.960 1.744 14.382 1.00 1.54 C ATOM 1927 CE1 TYR B 94 9.664 2.799 15.494 1.00 1.60 C ATOM 1928 CE2 TYR B 94 12.043 2.527 15.517 1.00 1.80 C ATOM 1929 CZ TYR B 94 10.894 3.050 16.070 1.00 1.79 C ATOM 1930 OH TYR B 94 10.978 3.832 17.201 1.00 2.10 O ATOM 0 H TYR B 94 10.948 -0.305 10.271 1.00 0.82 H new ATOM 0 HA TYR B 94 9.262 1.722 11.323 1.00 0.90 H new ATOM 0 HB2 TYR B 94 9.899 -0.149 12.685 1.00 0.98 H new ATOM 0 HB3 TYR B 94 11.605 0.117 12.388 1.00 0.98 H new ATOM 0 HD1 TYR B 94 8.628 1.815 13.911 1.00 1.31 H new ATOM 0 HD2 TYR B 94 12.862 1.333 13.953 1.00 1.54 H new ATOM 0 HE1 TYR B 94 8.766 3.213 15.928 1.00 1.60 H new ATOM 0 HE2 TYR B 94 13.003 2.728 15.969 1.00 1.80 H new ATOM 0 HH TYR B 94 11.915 3.908 17.477 1.00 2.10 H new ATOM 1940 N ASN B 95 12.355 2.526 10.591 1.00 0.85 N ATOM 1941 CA ASN B 95 13.280 3.639 10.423 1.00 0.85 C ATOM 1942 C ASN B 95 12.626 4.749 9.602 1.00 0.81 C ATOM 1943 O ASN B 95 12.665 5.919 9.976 1.00 0.83 O ATOM 1944 CB ASN B 95 14.573 3.167 9.745 1.00 0.86 C ATOM 1945 CG ASN B 95 15.783 3.975 10.172 1.00 1.08 C ATOM 1946 OD1 ASN B 95 15.672 5.147 10.528 1.00 1.53 O ATOM 1947 ND2 ASN B 95 16.955 3.354 10.137 1.00 1.29 N ATOM 0 H ASN B 95 12.697 1.638 10.224 1.00 0.85 H new ATOM 0 HA ASN B 95 13.531 4.032 11.408 1.00 0.85 H new ATOM 0 HB2 ASN B 95 14.740 2.116 9.982 1.00 0.86 H new ATOM 0 HB3 ASN B 95 14.458 3.236 8.663 1.00 0.86 H new ATOM 0 HD21 ASN B 95 17.803 3.850 10.411 1.00 1.29 H new ATOM 0 HD22 ASN B 95 17.008 2.381 9.836 1.00 1.29 H new ATOM 1954 N PHE B 96 12.005 4.374 8.491 1.00 0.78 N ATOM 1955 CA PHE B 96 11.336 5.344 7.638 1.00 0.76 C ATOM 1956 C PHE B 96 10.022 5.788 8.272 1.00 0.79 C ATOM 1957 O PHE B 96 9.593 6.933 8.102 1.00 0.79 O ATOM 1958 CB PHE B 96 11.077 4.757 6.251 1.00 0.75 C ATOM 1959 CG PHE B 96 10.478 5.744 5.288 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.233 6.797 4.795 1.00 0.74 C ATOM 1961 CD2 PHE B 96 9.158 5.623 4.881 1.00 0.79 C ATOM 1962 CE1 PHE B 96 10.685 7.710 3.914 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.604 6.533 4.002 1.00 0.79 C ATOM 1964 CZ PHE B 96 9.366 7.577 3.517 1.00 0.77 C ATOM 0 H PHE B 96 11.951 3.410 8.162 1.00 0.78 H new ATOM 0 HA PHE B 96 11.988 6.211 7.530 1.00 0.76 H new ATOM 0 HB2 PHE B 96 12.016 4.384 5.841 1.00 0.75 H new ATOM 0 HB3 PHE B 96 10.409 3.901 6.346 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.262 6.905 5.103 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.556 4.808 5.256 1.00 0.79 H new ATOM 0 HE1 PHE B 96 11.285 8.525 3.536 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.574 6.428 3.694 1.00 0.79 H new ATOM 0 HZ PHE B 96 8.934 8.289 2.829 1.00 0.77 H new ATOM 1974 N LEU B 97 9.394 4.874 9.006 1.00 0.82 N ATOM 1975 CA LEU B 97 8.128 5.152 9.677 1.00 0.87 C ATOM 1976 C LEU B 97 8.259 6.347 10.614 1.00 0.88 C ATOM 1977 O LEU B 97 7.412 7.237 10.619 1.00 0.91 O ATOM 1978 CB LEU B 97 7.669 3.925 10.469 1.00 0.93 C ATOM 1979 CG LEU B 97 6.175 3.877 10.795 1.00 1.18 C ATOM 1980 CD1 LEU B 97 5.413 3.154 9.695 1.00 1.34 C ATOM 1981 CD2 LEU B 97 5.942 3.203 12.138 1.00 1.44 C ATOM 0 H LEU B 97 9.745 3.927 9.152 1.00 0.82 H new ATOM 0 HA LEU B 97 7.386 5.388 8.914 1.00 0.87 H new ATOM 0 HB2 LEU B 97 7.929 3.030 9.904 1.00 0.93 H new ATOM 0 HB3 LEU B 97 8.229 3.886 11.403 1.00 0.93 H new ATOM 0 HG LEU B 97 5.803 4.900 10.856 1.00 1.18 H new ATOM 0 HD11 LEU B 97 4.352 3.129 9.943 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.552 3.679 8.750 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.788 2.135 9.602 1.00 1.34 H new ATOM 0 HD21 LEU B 97 4.874 3.178 12.352 1.00 1.44 H new ATOM 0 HD22 LEU B 97 6.329 2.185 12.106 1.00 1.44 H new ATOM 0 HD23 LEU B 97 6.456 3.762 12.920 1.00 1.44 H new ATOM 1993 N GLN B 98 9.324 6.362 11.407 1.00 0.88 N ATOM 1994 CA GLN B 98 9.557 7.457 12.341 1.00 0.90 C ATOM 1995 C GLN B 98 10.188 8.651 11.624 1.00 0.89 C ATOM 1996 O GLN B 98 10.057 9.795 12.060 1.00 0.99 O ATOM 1997 CB GLN B 98 10.453 6.999 13.496 1.00 0.93 C ATOM 1998 CG GLN B 98 11.876 6.656 13.076 1.00 1.00 C ATOM 1999 CD GLN B 98 12.769 6.309 14.254 1.00 1.16 C ATOM 2000 OE1 GLN B 98 12.566 6.791 15.368 1.00 1.39 O ATOM 2001 NE2 GLN B 98 13.765 5.472 14.012 1.00 1.27 N ATOM 0 H GLN B 98 10.037 5.632 11.422 1.00 0.88 H new ATOM 0 HA GLN B 98 8.595 7.766 12.749 1.00 0.90 H new ATOM 0 HB2 GLN B 98 10.487 7.785 14.250 1.00 0.93 H new ATOM 0 HB3 GLN B 98 10.003 6.125 13.967 1.00 0.93 H new ATOM 0 HG2 GLN B 98 11.853 5.815 12.383 1.00 1.00 H new ATOM 0 HG3 GLN B 98 12.305 7.501 12.537 1.00 1.00 H new ATOM 0 HE21 GLN B 98 13.898 5.095 13.074 1.00 1.27 H new ATOM 0 HE22 GLN B 98 14.400 5.204 14.764 1.00 1.27 H new ATOM 2010 N LYS B 99 10.855 8.369 10.509 1.00 0.82 N ATOM 2011 CA LYS B 99 11.522 9.393 9.713 1.00 0.81 C ATOM 2012 C LYS B 99 10.529 10.415 9.176 1.00 0.84 C ATOM 2013 O LYS B 99 10.712 11.618 9.348 1.00 0.90 O ATOM 2014 CB LYS B 99 12.286 8.738 8.553 1.00 0.75 C ATOM 2015 CG LYS B 99 13.101 9.711 7.711 1.00 0.87 C ATOM 2016 CD LYS B 99 12.341 10.158 6.471 1.00 1.04 C ATOM 2017 CE LYS B 99 13.149 11.147 5.654 1.00 1.21 C ATOM 2018 NZ LYS B 99 12.295 11.952 4.741 1.00 1.69 N ATOM 0 H LYS B 99 10.948 7.426 10.133 1.00 0.82 H new ATOM 0 HA LYS B 99 12.225 9.919 10.359 1.00 0.81 H new ATOM 0 HB2 LYS B 99 12.954 7.977 8.957 1.00 0.75 H new ATOM 0 HB3 LYS B 99 11.573 8.226 7.907 1.00 0.75 H new ATOM 0 HG2 LYS B 99 13.361 10.582 8.312 1.00 0.87 H new ATOM 0 HG3 LYS B 99 14.037 9.238 7.413 1.00 0.87 H new ATOM 0 HD2 LYS B 99 12.099 9.290 5.858 1.00 1.04 H new ATOM 0 HD3 LYS B 99 11.396 10.614 6.766 1.00 1.04 H new ATOM 0 HE2 LYS B 99 13.690 11.814 6.325 1.00 1.21 H new ATOM 0 HE3 LYS B 99 13.896 10.609 5.070 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 12.717 12.894 4.611 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 12.225 11.474 3.820 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 11.345 12.052 5.152 1.00 1.69 H new ATOM 2032 N ASN B 100 9.472 9.938 8.533 1.00 0.85 N ATOM 2033 CA ASN B 100 8.477 10.839 7.961 1.00 0.94 C ATOM 2034 C ASN B 100 7.178 10.804 8.751 1.00 0.99 C ATOM 2035 O ASN B 100 6.149 11.293 8.285 1.00 1.09 O ATOM 2036 CB ASN B 100 8.215 10.488 6.499 1.00 0.97 C ATOM 2037 CG ASN B 100 8.446 11.669 5.581 1.00 1.10 C ATOM 2038 OD1 ASN B 100 9.552 11.874 5.082 1.00 1.14 O ATOM 2039 ND2 ASN B 100 7.405 12.456 5.356 1.00 1.50 N ATOM 0 H ASN B 100 9.281 8.946 8.395 1.00 0.85 H new ATOM 0 HA ASN B 100 8.877 11.852 8.015 1.00 0.94 H new ATOM 0 HB2 ASN B 100 8.865 9.665 6.202 1.00 0.97 H new ATOM 0 HB3 ASN B 100 7.188 10.139 6.389 1.00 0.97 H new ATOM 0 HD21 ASN B 100 7.502 13.269 4.748 1.00 1.50 H new ATOM 0 HD22 ASN B 100 6.506 12.249 5.790 1.00 1.50 H new ATOM 2046 N ASP B 101 7.250 10.222 9.943 1.00 0.96 N ATOM 2047 CA ASP B 101 6.105 10.107 10.853 1.00 1.05 C ATOM 2048 C ASP B 101 4.883 9.484 10.176 1.00 1.06 C ATOM 2049 O ASP B 101 3.861 10.141 9.971 1.00 1.14 O ATOM 2050 CB ASP B 101 5.739 11.470 11.443 1.00 1.15 C ATOM 2051 CG ASP B 101 5.033 11.334 12.777 1.00 1.24 C ATOM 2052 OD1 ASP B 101 5.671 10.862 13.739 1.00 1.97 O ATOM 2053 OD2 ASP B 101 3.843 11.695 12.874 1.00 1.37 O ATOM 0 H ASP B 101 8.108 9.812 10.312 1.00 0.96 H new ATOM 0 HA ASP B 101 6.411 9.439 11.658 1.00 1.05 H new ATOM 0 HB2 ASP B 101 6.643 12.066 11.569 1.00 1.15 H new ATOM 0 HB3 ASP B 101 5.097 12.008 10.745 1.00 1.15 H new ATOM 2058 N LEU B 102 4.993 8.211 9.845 1.00 1.03 N ATOM 2059 CA LEU B 102 3.901 7.491 9.206 1.00 1.06 C ATOM 2060 C LEU B 102 3.033 6.812 10.259 1.00 1.13 C ATOM 2061 O LEU B 102 3.215 7.024 11.460 1.00 1.21 O ATOM 2062 CB LEU B 102 4.441 6.439 8.224 1.00 0.99 C ATOM 2063 CG LEU B 102 4.935 6.965 6.870 1.00 1.12 C ATOM 2064 CD1 LEU B 102 3.973 7.995 6.300 1.00 1.66 C ATOM 2065 CD2 LEU B 102 6.335 7.545 7.000 1.00 1.51 C ATOM 0 H LEU B 102 5.829 7.650 10.008 1.00 1.03 H new ATOM 0 HA LEU B 102 3.299 8.210 8.650 1.00 1.06 H new ATOM 0 HB2 LEU B 102 5.263 5.910 8.707 1.00 0.99 H new ATOM 0 HB3 LEU B 102 3.655 5.706 8.041 1.00 0.99 H new ATOM 0 HG LEU B 102 4.975 6.126 6.175 1.00 1.12 H new ATOM 0 HD11 LEU B 102 4.348 8.351 5.340 1.00 1.66 H new ATOM 0 HD12 LEU B 102 2.993 7.539 6.160 1.00 1.66 H new ATOM 0 HD13 LEU B 102 3.888 8.834 6.990 1.00 1.66 H new ATOM 0 HD21 LEU B 102 6.668 7.913 6.029 1.00 1.51 H new ATOM 0 HD22 LEU B 102 6.323 8.367 7.715 1.00 1.51 H new ATOM 0 HD23 LEU B 102 7.019 6.771 7.349 1.00 1.51 H new ATOM 2077 N ASN B 103 2.093 5.996 9.805 1.00 1.17 N ATOM 2078 CA ASN B 103 1.203 5.279 10.705 1.00 1.23 C ATOM 2079 C ASN B 103 1.648 3.824 10.816 1.00 1.14 C ATOM 2080 O ASN B 103 1.964 3.197 9.804 1.00 1.05 O ATOM 2081 CB ASN B 103 -0.243 5.359 10.201 1.00 1.31 C ATOM 2082 CG ASN B 103 -1.244 4.816 11.207 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -1.444 3.608 11.307 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -1.881 5.704 11.954 1.00 1.75 N ATOM 0 H ASN B 103 1.927 5.814 8.815 1.00 1.17 H new ATOM 0 HA ASN B 103 1.248 5.740 11.692 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -0.488 6.397 9.974 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.330 4.800 9.269 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -2.566 5.393 12.643 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -1.687 6.699 11.841 1.00 1.75 H new ATOM 2091 N PRO B 104 1.688 3.274 12.046 1.00 1.18 N ATOM 2092 CA PRO B 104 2.105 1.881 12.300 1.00 1.12 C ATOM 2093 C PRO B 104 1.382 0.849 11.427 1.00 1.04 C ATOM 2094 O PRO B 104 1.914 -0.228 11.161 1.00 1.02 O ATOM 2095 CB PRO B 104 1.745 1.669 13.772 1.00 1.22 C ATOM 2096 CG PRO B 104 1.797 3.029 14.375 1.00 1.34 C ATOM 2097 CD PRO B 104 1.347 3.978 13.301 1.00 1.30 C ATOM 0 HA PRO B 104 3.160 1.740 12.065 1.00 1.12 H new ATOM 0 HB2 PRO B 104 0.754 1.227 13.877 1.00 1.22 H new ATOM 0 HB3 PRO B 104 2.449 0.993 14.258 1.00 1.22 H new ATOM 0 HG2 PRO B 104 1.148 3.093 15.249 1.00 1.34 H new ATOM 0 HG3 PRO B 104 2.806 3.269 14.709 1.00 1.34 H new ATOM 0 HD2 PRO B 104 0.278 4.181 13.368 1.00 1.30 H new ATOM 0 HD3 PRO B 104 1.859 4.937 13.374 1.00 1.30 H new ATOM 2105 N MET B 105 0.177 1.181 10.977 1.00 1.03 N ATOM 2106 CA MET B 105 -0.607 0.278 10.136 1.00 1.01 C ATOM 2107 C MET B 105 0.093 0.027 8.796 1.00 1.00 C ATOM 2108 O MET B 105 -0.081 -1.025 8.180 1.00 1.03 O ATOM 2109 CB MET B 105 -2.003 0.863 9.891 1.00 1.05 C ATOM 2110 CG MET B 105 -2.956 -0.096 9.191 1.00 1.03 C ATOM 2111 SD MET B 105 -4.489 0.705 8.662 1.00 1.43 S ATOM 2112 CE MET B 105 -5.053 1.415 10.204 1.00 1.60 C ATOM 0 H MET B 105 -0.281 2.070 11.180 1.00 1.03 H new ATOM 0 HA MET B 105 -0.701 -0.674 10.659 1.00 1.01 H new ATOM 0 HB2 MET B 105 -2.436 1.158 10.847 1.00 1.05 H new ATOM 0 HB3 MET B 105 -1.907 1.768 9.291 1.00 1.05 H new ATOM 0 HG2 MET B 105 -2.458 -0.527 8.323 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.195 -0.920 9.864 1.00 1.03 H new ATOM 0 HE1 MET B 105 -6.143 1.429 10.221 1.00 1.60 H new ATOM 0 HE2 MET B 105 -4.685 0.816 11.037 1.00 1.60 H new ATOM 0 HE3 MET B 105 -4.676 2.434 10.295 1.00 1.60 H new ATOM 2122 N PHE B 106 0.904 0.984 8.363 1.00 1.00 N ATOM 2123 CA PHE B 106 1.613 0.869 7.093 1.00 1.03 C ATOM 2124 C PHE B 106 2.930 0.115 7.244 1.00 0.99 C ATOM 2125 O PHE B 106 3.601 -0.165 6.251 1.00 0.98 O ATOM 2126 CB PHE B 106 1.877 2.255 6.499 1.00 1.06 C ATOM 2127 CG PHE B 106 0.628 2.980 6.086 1.00 1.38 C ATOM 2128 CD1 PHE B 106 -0.165 2.493 5.059 1.00 1.92 C ATOM 2129 CD2 PHE B 106 0.247 4.149 6.723 1.00 1.72 C ATOM 2130 CE1 PHE B 106 -1.316 3.156 4.678 1.00 2.44 C ATOM 2131 CE2 PHE B 106 -0.903 4.817 6.348 1.00 2.20 C ATOM 2132 CZ PHE B 106 -1.685 4.320 5.323 1.00 2.46 C ATOM 0 H PHE B 106 1.088 1.849 8.872 1.00 1.00 H new ATOM 0 HA PHE B 106 0.974 0.300 6.418 1.00 1.03 H new ATOM 0 HB2 PHE B 106 2.412 2.859 7.232 1.00 1.06 H new ATOM 0 HB3 PHE B 106 2.530 2.151 5.633 1.00 1.06 H new ATOM 0 HD1 PHE B 106 0.120 1.584 4.550 1.00 1.92 H new ATOM 0 HD2 PHE B 106 0.856 4.544 7.523 1.00 1.72 H new ATOM 0 HE1 PHE B 106 -1.926 2.765 3.877 1.00 2.44 H new ATOM 0 HE2 PHE B 106 -1.190 5.726 6.855 1.00 2.20 H new ATOM 0 HZ PHE B 106 -2.583 4.841 5.027 1.00 2.46 H new ATOM 2142 N LEU B 107 3.285 -0.225 8.482 1.00 1.00 N ATOM 2143 CA LEU B 107 4.531 -0.938 8.760 1.00 0.97 C ATOM 2144 C LEU B 107 4.569 -2.281 8.035 1.00 0.99 C ATOM 2145 O LEU B 107 5.558 -2.614 7.385 1.00 0.90 O ATOM 2146 CB LEU B 107 4.699 -1.153 10.268 1.00 1.00 C ATOM 2147 CG LEU B 107 6.050 -1.723 10.705 1.00 0.99 C ATOM 2148 CD1 LEU B 107 7.126 -0.650 10.659 1.00 0.98 C ATOM 2149 CD2 LEU B 107 5.948 -2.314 12.103 1.00 1.10 C ATOM 0 H LEU B 107 2.726 -0.018 9.310 1.00 1.00 H new ATOM 0 HA LEU B 107 5.355 -0.326 8.393 1.00 0.97 H new ATOM 0 HB2 LEU B 107 4.546 -0.199 10.773 1.00 1.00 H new ATOM 0 HB3 LEU B 107 3.912 -1.825 10.612 1.00 1.00 H new ATOM 0 HG LEU B 107 6.329 -2.516 10.011 1.00 0.99 H new ATOM 0 HD11 LEU B 107 8.079 -1.076 10.973 1.00 0.98 H new ATOM 0 HD12 LEU B 107 7.217 -0.269 9.642 1.00 0.98 H new ATOM 0 HD13 LEU B 107 6.855 0.166 11.329 1.00 0.98 H new ATOM 0 HD21 LEU B 107 6.917 -2.715 12.400 1.00 1.10 H new ATOM 0 HD22 LEU B 107 5.647 -1.537 12.805 1.00 1.10 H new ATOM 0 HD23 LEU B 107 5.207 -3.114 12.107 1.00 1.10 H new ATOM 2161 N ASP B 108 3.483 -3.038 8.135 1.00 1.16 N ATOM 2162 CA ASP B 108 3.403 -4.344 7.486 1.00 1.22 C ATOM 2163 C ASP B 108 3.287 -4.197 5.975 1.00 1.10 C ATOM 2164 O ASP B 108 3.895 -4.954 5.221 1.00 1.08 O ATOM 2165 CB ASP B 108 2.210 -5.137 8.015 1.00 1.48 C ATOM 2166 CG ASP B 108 2.088 -6.494 7.345 1.00 1.75 C ATOM 2167 OD1 ASP B 108 2.903 -7.388 7.653 1.00 2.08 O ATOM 2168 OD2 ASP B 108 1.178 -6.674 6.508 1.00 2.33 O ATOM 0 H ASP B 108 2.648 -2.773 8.657 1.00 1.16 H new ATOM 0 HA ASP B 108 4.322 -4.884 7.717 1.00 1.22 H new ATOM 0 HB2 ASP B 108 2.313 -5.272 9.092 1.00 1.48 H new ATOM 0 HB3 ASP B 108 1.295 -4.568 7.851 1.00 1.48 H new ATOM 2173 N GLN B 109 2.519 -3.202 5.546 1.00 1.14 N ATOM 2174 CA GLN B 109 2.304 -2.947 4.126 1.00 1.10 C ATOM 2175 C GLN B 109 3.629 -2.779 3.383 1.00 0.94 C ATOM 2176 O GLN B 109 3.831 -3.361 2.318 1.00 0.94 O ATOM 2177 CB GLN B 109 1.445 -1.696 3.933 1.00 1.23 C ATOM 2178 CG GLN B 109 0.966 -1.501 2.500 1.00 1.27 C ATOM 2179 CD GLN B 109 0.681 -0.050 2.157 1.00 1.45 C ATOM 2180 OE1 GLN B 109 -0.245 0.249 1.401 1.00 1.58 O ATOM 2181 NE2 GLN B 109 1.483 0.862 2.687 1.00 1.98 N ATOM 0 H GLN B 109 2.032 -2.555 6.166 1.00 1.14 H new ATOM 0 HA GLN B 109 1.784 -3.811 3.712 1.00 1.10 H new ATOM 0 HB2 GLN B 109 0.579 -1.755 4.592 1.00 1.23 H new ATOM 0 HB3 GLN B 109 2.019 -0.821 4.238 1.00 1.23 H new ATOM 0 HG2 GLN B 109 1.721 -1.888 1.816 1.00 1.27 H new ATOM 0 HG3 GLN B 109 0.062 -2.089 2.343 1.00 1.27 H new ATOM 0 HE21 GLN B 109 2.239 0.576 3.309 1.00 1.98 H new ATOM 0 HE22 GLN B 109 1.344 1.850 2.473 1.00 1.98 H new ATOM 2190 N VAL B 110 4.528 -1.987 3.951 1.00 0.88 N ATOM 2191 CA VAL B 110 5.822 -1.752 3.325 1.00 0.78 C ATOM 2192 C VAL B 110 6.770 -2.924 3.566 1.00 0.76 C ATOM 2193 O VAL B 110 7.615 -3.230 2.724 1.00 0.76 O ATOM 2194 CB VAL B 110 6.472 -0.440 3.824 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.598 0.753 3.470 1.00 0.74 C ATOM 2196 CG2 VAL B 110 6.731 -0.487 5.323 1.00 0.79 C ATOM 0 H VAL B 110 4.387 -1.500 4.836 1.00 0.88 H new ATOM 0 HA VAL B 110 5.642 -1.657 2.254 1.00 0.78 H new ATOM 0 HB VAL B 110 7.434 -0.330 3.323 1.00 0.70 H new ATOM 0 HG11 VAL B 110 6.069 1.668 3.828 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.476 0.807 2.388 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.621 0.640 3.940 1.00 0.74 H new ATOM 0 HG21 VAL B 110 7.188 0.449 5.643 1.00 0.79 H new ATOM 0 HG22 VAL B 110 5.788 -0.629 5.851 1.00 0.79 H new ATOM 0 HG23 VAL B 110 7.403 -1.315 5.550 1.00 0.79 H new ATOM 2206 N ALA B 111 6.608 -3.591 4.704 1.00 0.77 N ATOM 2207 CA ALA B 111 7.453 -4.724 5.050 1.00 0.77 C ATOM 2208 C ALA B 111 7.242 -5.882 4.084 1.00 0.82 C ATOM 2209 O ALA B 111 8.198 -6.546 3.694 1.00 0.80 O ATOM 2210 CB ALA B 111 7.188 -5.178 6.478 1.00 0.81 C ATOM 0 H ALA B 111 5.899 -3.365 5.401 1.00 0.77 H new ATOM 0 HA ALA B 111 8.490 -4.399 4.973 1.00 0.77 H new ATOM 0 HB1 ALA B 111 7.830 -6.026 6.715 1.00 0.81 H new ATOM 0 HB2 ALA B 111 7.399 -4.359 7.165 1.00 0.81 H new ATOM 0 HB3 ALA B 111 6.144 -5.475 6.578 1.00 0.81 H new ATOM 2216 N LYS B 112 5.990 -6.110 3.697 1.00 0.89 N ATOM 2217 CA LYS B 112 5.643 -7.189 2.775 1.00 0.96 C ATOM 2218 C LYS B 112 6.456 -7.096 1.485 1.00 0.96 C ATOM 2219 O LYS B 112 7.021 -8.088 1.022 1.00 1.00 O ATOM 2220 CB LYS B 112 4.148 -7.147 2.444 1.00 1.05 C ATOM 2221 CG LYS B 112 3.241 -7.583 3.588 1.00 1.15 C ATOM 2222 CD LYS B 112 3.410 -9.061 3.898 1.00 1.13 C ATOM 2223 CE LYS B 112 2.153 -9.655 4.519 1.00 1.18 C ATOM 2224 NZ LYS B 112 1.914 -9.151 5.897 1.00 1.69 N ATOM 0 H LYS B 112 5.192 -5.557 4.010 1.00 0.89 H new ATOM 0 HA LYS B 112 5.879 -8.133 3.266 1.00 0.96 H new ATOM 0 HB2 LYS B 112 3.881 -6.132 2.151 1.00 1.05 H new ATOM 0 HB3 LYS B 112 3.960 -7.788 1.582 1.00 1.05 H new ATOM 0 HG2 LYS B 112 3.467 -6.995 4.478 1.00 1.15 H new ATOM 0 HG3 LYS B 112 2.202 -7.381 3.328 1.00 1.15 H new ATOM 0 HD2 LYS B 112 3.652 -9.599 2.982 1.00 1.13 H new ATOM 0 HD3 LYS B 112 4.251 -9.196 4.579 1.00 1.13 H new ATOM 0 HE2 LYS B 112 1.293 -9.417 3.893 1.00 1.18 H new ATOM 0 HE3 LYS B 112 2.240 -10.741 4.541 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 1.514 -9.913 6.481 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 2.813 -8.833 6.311 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 1.247 -8.354 5.864 1.00 1.69 H new ATOM 2238 N PHE B 113 6.531 -5.893 0.928 1.00 0.94 N ATOM 2239 CA PHE B 113 7.263 -5.665 -0.311 1.00 0.96 C ATOM 2240 C PHE B 113 8.762 -5.861 -0.104 1.00 0.90 C ATOM 2241 O PHE B 113 9.450 -6.416 -0.962 1.00 0.96 O ATOM 2242 CB PHE B 113 6.981 -4.259 -0.844 1.00 0.96 C ATOM 2243 CG PHE B 113 6.513 -4.243 -2.273 1.00 1.20 C ATOM 2244 CD1 PHE B 113 5.212 -4.590 -2.593 1.00 1.58 C ATOM 2245 CD2 PHE B 113 7.377 -3.879 -3.293 1.00 1.55 C ATOM 2246 CE1 PHE B 113 4.779 -4.575 -3.906 1.00 2.05 C ATOM 2247 CE2 PHE B 113 6.950 -3.863 -4.608 1.00 2.03 C ATOM 2248 CZ PHE B 113 5.650 -4.212 -4.914 1.00 2.21 C ATOM 0 H PHE B 113 6.092 -5.058 1.317 1.00 0.94 H new ATOM 0 HA PHE B 113 6.923 -6.395 -1.045 1.00 0.96 H new ATOM 0 HB2 PHE B 113 6.225 -3.786 -0.217 1.00 0.96 H new ATOM 0 HB3 PHE B 113 7.887 -3.658 -0.760 1.00 0.96 H new ATOM 0 HD1 PHE B 113 4.527 -4.876 -1.808 1.00 1.58 H new ATOM 0 HD2 PHE B 113 8.395 -3.605 -3.058 1.00 1.55 H new ATOM 0 HE1 PHE B 113 3.761 -4.847 -4.143 1.00 2.05 H new ATOM 0 HE2 PHE B 113 7.633 -3.578 -5.395 1.00 2.03 H new ATOM 0 HZ PHE B 113 5.315 -4.201 -5.941 1.00 2.21 H new ATOM 2258 N ILE B 114 9.259 -5.416 1.045 1.00 0.80 N ATOM 2259 CA ILE B 114 10.675 -5.549 1.365 1.00 0.77 C ATOM 2260 C ILE B 114 11.044 -7.015 1.586 1.00 0.82 C ATOM 2261 O ILE B 114 12.109 -7.470 1.164 1.00 0.84 O ATOM 2262 CB ILE B 114 11.050 -4.728 2.619 1.00 0.69 C ATOM 2263 CG1 ILE B 114 10.768 -3.244 2.382 1.00 0.69 C ATOM 2264 CG2 ILE B 114 12.513 -4.938 2.980 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.955 -2.382 3.614 1.00 0.63 C ATOM 0 H ILE B 114 8.703 -4.961 1.769 1.00 0.80 H new ATOM 0 HA ILE B 114 11.237 -5.160 0.515 1.00 0.77 H new ATOM 0 HB ILE B 114 10.439 -5.072 3.453 1.00 0.69 H new ATOM 0 HG12 ILE B 114 11.425 -2.880 1.592 1.00 0.69 H new ATOM 0 HG13 ILE B 114 9.745 -3.131 2.023 1.00 0.69 H new ATOM 0 HG21 ILE B 114 12.757 -4.351 3.866 1.00 0.68 H new ATOM 0 HG22 ILE B 114 12.689 -5.994 3.184 1.00 0.68 H new ATOM 0 HG23 ILE B 114 13.142 -4.619 2.149 1.00 0.68 H new ATOM 0 HD11 ILE B 114 10.737 -1.343 3.368 1.00 0.63 H new ATOM 0 HD12 ILE B 114 10.278 -2.718 4.400 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.985 -2.464 3.962 1.00 0.63 H new ATOM 2277 N ILE B 115 10.148 -7.750 2.236 1.00 0.86 N ATOM 2278 CA ILE B 115 10.367 -9.164 2.515 1.00 0.94 C ATOM 2279 C ILE B 115 10.456 -9.969 1.222 1.00 0.95 C ATOM 2280 O ILE B 115 11.340 -10.817 1.069 1.00 1.00 O ATOM 2281 CB ILE B 115 9.244 -9.748 3.406 1.00 1.00 C ATOM 2282 CG1 ILE B 115 9.345 -9.182 4.825 1.00 1.03 C ATOM 2283 CG2 ILE B 115 9.307 -11.273 3.438 1.00 1.07 C ATOM 2284 CD1 ILE B 115 8.130 -9.469 5.680 1.00 1.10 C ATOM 0 H ILE B 115 9.259 -7.387 2.581 1.00 0.86 H new ATOM 0 HA ILE B 115 11.313 -9.239 3.051 1.00 0.94 H new ATOM 0 HB ILE B 115 8.285 -9.458 2.977 1.00 1.00 H new ATOM 0 HG12 ILE B 115 10.227 -9.598 5.311 1.00 1.03 H new ATOM 0 HG13 ILE B 115 9.492 -8.103 4.767 1.00 1.03 H new ATOM 0 HG21 ILE B 115 8.507 -11.657 4.071 1.00 1.07 H new ATOM 0 HG22 ILE B 115 9.189 -11.663 2.427 1.00 1.07 H new ATOM 0 HG23 ILE B 115 10.270 -11.589 3.839 1.00 1.07 H new ATOM 0 HD11 ILE B 115 8.273 -9.038 6.671 1.00 1.10 H new ATOM 0 HD12 ILE B 115 7.247 -9.029 5.217 1.00 1.10 H new ATOM 0 HD13 ILE B 115 7.994 -10.547 5.769 1.00 1.10 H new ATOM 2296 N ASP B 116 9.556 -9.696 0.281 1.00 0.93 N ATOM 2297 CA ASP B 116 9.561 -10.421 -0.984 1.00 0.97 C ATOM 2298 C ASP B 116 10.739 -10.014 -1.852 1.00 0.95 C ATOM 2299 O ASP B 116 11.192 -10.789 -2.684 1.00 0.96 O ATOM 2300 CB ASP B 116 8.263 -10.232 -1.764 1.00 1.05 C ATOM 2301 CG ASP B 116 8.128 -11.289 -2.843 1.00 1.19 C ATOM 2302 OD1 ASP B 116 7.944 -12.474 -2.494 1.00 1.25 O ATOM 2303 OD2 ASP B 116 8.228 -10.958 -4.037 1.00 1.38 O ATOM 0 H ASP B 116 8.825 -8.990 0.368 1.00 0.93 H new ATOM 0 HA ASP B 116 9.654 -11.477 -0.729 1.00 0.97 H new ATOM 0 HB2 ASP B 116 7.413 -10.288 -1.084 1.00 1.05 H new ATOM 0 HB3 ASP B 116 8.245 -9.240 -2.215 1.00 1.05 H new ATOM 2308 N ASN B 117 11.244 -8.806 -1.642 1.00 0.93 N ATOM 2309 CA ASN B 117 12.384 -8.311 -2.407 1.00 0.92 C ATOM 2310 C ASN B 117 13.589 -9.237 -2.234 1.00 0.91 C ATOM 2311 O ASN B 117 14.394 -9.408 -3.149 1.00 0.93 O ATOM 2312 CB ASN B 117 12.746 -6.882 -1.973 1.00 0.90 C ATOM 2313 CG ASN B 117 14.105 -6.433 -2.483 1.00 0.96 C ATOM 2314 OD1 ASN B 117 14.253 -6.052 -3.641 1.00 1.13 O ATOM 2315 ND2 ASN B 117 15.101 -6.458 -1.609 1.00 0.90 N ATOM 0 H ASN B 117 10.884 -8.150 -0.949 1.00 0.93 H new ATOM 0 HA ASN B 117 12.106 -8.294 -3.461 1.00 0.92 H new ATOM 0 HB2 ASN B 117 11.982 -6.194 -2.335 1.00 0.90 H new ATOM 0 HB3 ASN B 117 12.736 -6.825 -0.885 1.00 0.90 H new ATOM 0 HD21 ASN B 117 16.033 -6.153 -1.889 1.00 0.90 H new ATOM 0 HD22 ASN B 117 14.935 -6.782 -0.656 1.00 0.90 H new ATOM 2322 N THR B 118 13.698 -9.850 -1.059 1.00 0.91 N ATOM 2323 CA THR B 118 14.801 -10.755 -0.773 1.00 0.93 C ATOM 2324 C THR B 118 14.342 -12.218 -0.784 1.00 0.95 C ATOM 2325 O THR B 118 15.112 -13.126 -0.469 1.00 0.99 O ATOM 2326 CB THR B 118 15.435 -10.412 0.588 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.428 -9.912 1.482 1.00 0.98 O ATOM 2328 CG2 THR B 118 16.533 -9.372 0.426 1.00 1.04 C ATOM 0 H THR B 118 13.036 -9.735 -0.292 1.00 0.91 H new ATOM 0 HA THR B 118 15.546 -10.629 -1.558 1.00 0.93 H new ATOM 0 HB THR B 118 15.874 -11.320 1.001 1.00 0.89 H new ATOM 0 HG1 THR B 118 14.836 -9.697 2.347 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.966 -9.145 1.400 1.00 1.04 H new ATOM 0 HG22 THR B 118 17.308 -9.761 -0.234 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.113 -8.463 -0.004 1.00 1.04 H new ATOM 2336 N LYS B 119 13.088 -12.438 -1.165 1.00 1.14 N ATOM 2337 CA LYS B 119 12.520 -13.784 -1.218 1.00 1.18 C ATOM 2338 C LYS B 119 12.222 -14.187 -2.661 1.00 1.25 C ATOM 2339 O LYS B 119 12.451 -15.331 -3.061 1.00 1.18 O ATOM 2340 CB LYS B 119 11.252 -13.853 -0.352 1.00 1.16 C ATOM 2341 CG LYS B 119 10.278 -14.963 -0.731 1.00 1.26 C ATOM 2342 CD LYS B 119 9.262 -15.222 0.375 1.00 1.11 C ATOM 2343 CE LYS B 119 8.431 -13.984 0.694 1.00 1.63 C ATOM 2344 NZ LYS B 119 7.334 -13.772 -0.288 1.00 2.10 N ATOM 0 H LYS B 119 12.442 -11.699 -1.443 1.00 1.14 H new ATOM 0 HA LYS B 119 13.249 -14.490 -0.820 1.00 1.18 H new ATOM 0 HB2 LYS B 119 11.547 -13.987 0.689 1.00 1.16 H new ATOM 0 HB3 LYS B 119 10.733 -12.896 -0.415 1.00 1.16 H new ATOM 0 HG2 LYS B 119 9.756 -14.692 -1.649 1.00 1.26 H new ATOM 0 HG3 LYS B 119 10.832 -15.879 -0.938 1.00 1.26 H new ATOM 0 HD2 LYS B 119 8.600 -16.035 0.075 1.00 1.11 H new ATOM 0 HD3 LYS B 119 9.782 -15.550 1.275 1.00 1.11 H new ATOM 0 HE2 LYS B 119 8.007 -14.081 1.693 1.00 1.63 H new ATOM 0 HE3 LYS B 119 9.079 -13.108 0.706 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 6.535 -13.299 0.181 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 7.678 -13.178 -1.069 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 7.021 -14.690 -0.663 1.00 2.10 H new ATOM 2358 N GLY B 120 11.711 -13.240 -3.432 1.00 1.50 N ATOM 2359 CA GLY B 120 11.401 -13.482 -4.824 1.00 1.61 C ATOM 2360 C GLY B 120 10.265 -14.464 -5.031 1.00 1.60 C ATOM 2361 O GLY B 120 10.434 -15.473 -5.712 1.00 1.81 O ATOM 0 H GLY B 120 11.503 -12.294 -3.111 1.00 1.50 H new ATOM 0 HA2 GLY B 120 11.143 -12.536 -5.300 1.00 1.61 H new ATOM 0 HA3 GLY B 120 12.292 -13.859 -5.326 1.00 1.61 H new ATOM 2365 N GLN B 121 9.107 -14.168 -4.465 1.00 1.41 N ATOM 2366 CA GLN B 121 7.950 -15.039 -4.606 1.00 1.44 C ATOM 2367 C GLN B 121 6.844 -14.335 -5.389 1.00 1.31 C ATOM 2368 O GLN B 121 6.310 -14.878 -6.356 1.00 1.43 O ATOM 2369 CB GLN B 121 7.442 -15.469 -3.227 1.00 1.40 C ATOM 2370 CG GLN B 121 6.225 -16.379 -3.264 1.00 1.46 C ATOM 2371 CD GLN B 121 5.795 -16.811 -1.880 1.00 1.55 C ATOM 2372 OE1 GLN B 121 6.003 -16.095 -0.901 1.00 1.64 O ATOM 2373 NE2 GLN B 121 5.189 -17.982 -1.784 1.00 2.11 N ATOM 0 H GLN B 121 8.942 -13.332 -3.904 1.00 1.41 H new ATOM 0 HA GLN B 121 8.248 -15.929 -5.160 1.00 1.44 H new ATOM 0 HB2 GLN B 121 8.247 -15.980 -2.699 1.00 1.40 H new ATOM 0 HB3 GLN B 121 7.197 -14.578 -2.649 1.00 1.40 H new ATOM 0 HG2 GLN B 121 5.401 -15.861 -3.754 1.00 1.46 H new ATOM 0 HG3 GLN B 121 6.450 -17.260 -3.865 1.00 1.46 H new ATOM 0 HE21 GLN B 121 5.035 -18.547 -2.619 1.00 2.11 H new ATOM 0 HE22 GLN B 121 4.875 -18.321 -0.874 1.00 2.11 H new ATOM 2382 N MET B 122 6.522 -13.119 -4.977 1.00 1.11 N ATOM 2383 CA MET B 122 5.486 -12.336 -5.635 1.00 1.05 C ATOM 2384 C MET B 122 6.086 -11.504 -6.764 1.00 1.07 C ATOM 2385 O MET B 122 5.501 -11.376 -7.838 1.00 1.09 O ATOM 2386 CB MET B 122 4.786 -11.423 -4.621 1.00 1.10 C ATOM 2387 CG MET B 122 3.611 -10.649 -5.202 1.00 0.99 C ATOM 2388 SD MET B 122 2.265 -11.722 -5.751 1.00 1.81 S ATOM 2389 CE MET B 122 1.861 -12.575 -4.227 1.00 1.92 C ATOM 0 H MET B 122 6.965 -12.651 -4.187 1.00 1.11 H new ATOM 0 HA MET B 122 4.750 -13.020 -6.058 1.00 1.05 H new ATOM 0 HB2 MET B 122 4.434 -12.027 -3.785 1.00 1.10 H new ATOM 0 HB3 MET B 122 5.512 -10.716 -4.220 1.00 1.10 H new ATOM 0 HG2 MET B 122 3.233 -9.955 -4.451 1.00 0.99 H new ATOM 0 HG3 MET B 122 3.958 -10.050 -6.044 1.00 0.99 H new ATOM 0 HE1 MET B 122 0.863 -13.006 -4.305 1.00 1.92 H new ATOM 0 HE2 MET B 122 2.587 -13.369 -4.051 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.887 -11.869 -3.397 1.00 1.92 H new ATOM 2399 N LEU B 123 7.255 -10.938 -6.509 1.00 1.19 N ATOM 2400 CA LEU B 123 7.938 -10.110 -7.491 1.00 1.33 C ATOM 2401 C LEU B 123 9.066 -10.875 -8.174 1.00 1.36 C ATOM 2402 O LEU B 123 9.554 -10.473 -9.232 1.00 1.48 O ATOM 2403 CB LEU B 123 8.502 -8.865 -6.808 1.00 1.57 C ATOM 2404 CG LEU B 123 7.535 -8.157 -5.857 1.00 1.57 C ATOM 2405 CD1 LEU B 123 8.292 -7.194 -4.957 1.00 1.82 C ATOM 2406 CD2 LEU B 123 6.454 -7.423 -6.640 1.00 1.59 C ATOM 0 H LEU B 123 7.753 -11.038 -5.625 1.00 1.19 H new ATOM 0 HA LEU B 123 7.215 -9.820 -8.253 1.00 1.33 H new ATOM 0 HB2 LEU B 123 9.395 -9.148 -6.251 1.00 1.57 H new ATOM 0 HB3 LEU B 123 8.816 -8.158 -7.576 1.00 1.57 H new ATOM 0 HG LEU B 123 7.051 -8.908 -5.232 1.00 1.57 H new ATOM 0 HD11 LEU B 123 7.592 -6.697 -4.285 1.00 1.82 H new ATOM 0 HD12 LEU B 123 9.028 -7.745 -4.371 1.00 1.82 H new ATOM 0 HD13 LEU B 123 8.800 -6.448 -5.568 1.00 1.82 H new ATOM 0 HD21 LEU B 123 5.776 -6.926 -5.946 1.00 1.59 H new ATOM 0 HD22 LEU B 123 6.916 -6.680 -7.290 1.00 1.59 H new ATOM 0 HD23 LEU B 123 5.895 -8.137 -7.245 1.00 1.59 H new ATOM 2418 N GLY B 124 9.478 -11.978 -7.571 1.00 1.44 N ATOM 2419 CA GLY B 124 10.558 -12.766 -8.135 1.00 1.48 C ATOM 2420 C GLY B 124 10.072 -13.914 -8.995 1.00 1.77 C ATOM 2421 O GLY B 124 10.422 -13.998 -10.171 1.00 2.49 O ATOM 0 H GLY B 124 9.087 -12.343 -6.703 1.00 1.44 H new ATOM 0 HA2 GLY B 124 11.198 -12.118 -8.733 1.00 1.48 H new ATOM 0 HA3 GLY B 124 11.172 -13.161 -7.326 1.00 1.48 H new ATOM 2425 N LEU B 125 9.273 -14.796 -8.394 1.00 1.39 N ATOM 2426 CA LEU B 125 8.725 -15.969 -9.078 1.00 1.59 C ATOM 2427 C LEU B 125 9.832 -16.949 -9.459 1.00 1.56 C ATOM 2428 O LEU B 125 10.133 -17.875 -8.703 1.00 1.53 O ATOM 2429 CB LEU B 125 7.911 -15.570 -10.318 1.00 1.94 C ATOM 2430 CG LEU B 125 6.535 -14.971 -10.027 1.00 1.48 C ATOM 2431 CD1 LEU B 125 6.550 -13.466 -10.237 1.00 1.69 C ATOM 2432 CD2 LEU B 125 5.474 -15.625 -10.902 1.00 1.63 C ATOM 0 H LEU B 125 8.987 -14.718 -7.418 1.00 1.39 H new ATOM 0 HA LEU B 125 8.051 -16.465 -8.380 1.00 1.59 H new ATOM 0 HB2 LEU B 125 8.489 -14.849 -10.896 1.00 1.94 H new ATOM 0 HB3 LEU B 125 7.781 -16.451 -10.947 1.00 1.94 H new ATOM 0 HG LEU B 125 6.289 -15.166 -8.983 1.00 1.48 H new ATOM 0 HD11 LEU B 125 5.561 -13.059 -10.025 1.00 1.69 H new ATOM 0 HD12 LEU B 125 7.281 -13.012 -9.567 1.00 1.69 H new ATOM 0 HD13 LEU B 125 6.819 -13.245 -11.270 1.00 1.69 H new ATOM 0 HD21 LEU B 125 4.500 -15.187 -10.682 1.00 1.63 H new ATOM 0 HD22 LEU B 125 5.717 -15.461 -11.952 1.00 1.63 H new ATOM 0 HD23 LEU B 125 5.444 -16.696 -10.699 1.00 1.63 H new