USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 965 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 55 THR OG1 : rot -59:sc= 0.875 USER MOD Set 1.2: B 57 SER OG : rot -70:sc= 1.38 USER MOD Set 2.1: A 79 GLN :FLIP amide:sc=-0.00749 X(o=-0.068,f=-0.0075) USER MOD Set 2.2: B 49 GLN :FLIP amide:sc= 0 X(o=-0.47,f=-0.0075) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.86) USER MOD Single : A 69 GLN : amide:sc= -2.52! C(o=-2.5!,f=-10!) USER MOD Single : A 71 GLN : amide:sc= 0.261 K(o=0.26,f=-5.7!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.451 F(o=-0.96,f=-0.45) USER MOD Single : A 76 MET CE :methyl -172:sc= 0 (180deg=-0.0889) USER MOD Single : A 84 SER OG : rot 20:sc= -2! USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -81:sc= 0.792 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.098 F(o=-1,f=-0.098) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 154:sc= 1.12 (180deg=0.784) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot -74:sc= -0.197 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.112 USER MOD Single : B 11 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.01) USER MOD Single : B 12 THR OG1 : rot 51:sc= 0.261 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.034 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0697 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : B 25 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : B 27 LYS NZ :NH3+ -150:sc= 1.16 (180deg=-0.256!) USER MOD Single : B 29 LYS NZ :NH3+ 163:sc= 0.916 (180deg=0.729) USER MOD Single : B 31 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.3) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : B 40 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.0058) USER MOD Single : B 41 GLN : amide:sc= 0.867 K(o=0.87,f=-6.2!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 TYR OH : rot -39:sc= 1.11 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 150:sc= 0.966 (180deg=-0.142!) USER MOD Single : B 65 SER OG : rot 114:sc= 1.25 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 0.917 K(o=0.92,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 63 -23.503 12.226 -5.594 1.00 14.11 N ATOM 2 CA GLY A 63 -22.804 11.733 -4.384 1.00 13.39 C ATOM 3 C GLY A 63 -22.839 10.226 -4.286 1.00 12.08 C ATOM 4 O GLY A 63 -23.235 9.544 -5.237 1.00 11.75 O ATOM 0 HA2 GLY A 63 -21.768 12.071 -4.400 1.00 13.39 H new ATOM 0 HA3 GLY A 63 -23.266 12.165 -3.497 1.00 13.39 H new ATOM 8 N SER A 64 -22.424 9.703 -3.143 1.00 11.42 N ATOM 9 CA SER A 64 -22.405 8.268 -2.916 1.00 10.21 C ATOM 10 C SER A 64 -22.534 7.979 -1.425 1.00 9.88 C ATOM 11 O SER A 64 -22.188 8.820 -0.592 1.00 10.50 O ATOM 12 CB SER A 64 -21.111 7.660 -3.471 1.00 9.77 C ATOM 13 OG SER A 64 -21.071 6.256 -3.277 1.00 9.97 O ATOM 0 H SER A 64 -22.093 10.257 -2.353 1.00 11.42 H new ATOM 0 HA SER A 64 -23.248 7.814 -3.436 1.00 10.21 H new ATOM 0 HB2 SER A 64 -21.030 7.884 -4.535 1.00 9.77 H new ATOM 0 HB3 SER A 64 -20.253 8.120 -2.982 1.00 9.77 H new ATOM 0 HG SER A 64 -20.235 5.899 -3.643 1.00 9.97 H new ATOM 19 N GLN A 65 -23.037 6.798 -1.095 1.00 9.07 N ATOM 20 CA GLN A 65 -23.207 6.400 0.297 1.00 8.94 C ATOM 21 C GLN A 65 -21.855 6.134 0.941 1.00 8.54 C ATOM 22 O GLN A 65 -21.684 6.295 2.147 1.00 9.04 O ATOM 23 CB GLN A 65 -24.075 5.146 0.388 1.00 8.41 C ATOM 24 CG GLN A 65 -25.457 5.323 -0.212 1.00 8.81 C ATOM 25 CD GLN A 65 -26.138 4.002 -0.498 1.00 8.35 C ATOM 26 OE1 GLN A 65 -25.971 3.425 -1.573 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.918 3.514 0.451 1.00 8.68 N ATOM 0 H GLN A 65 -23.335 6.097 -1.773 1.00 9.07 H new ATOM 0 HA GLN A 65 -23.700 7.214 0.829 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.569 4.326 -0.121 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -24.176 4.858 1.435 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -26.074 5.906 0.471 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -25.378 5.895 -1.137 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -27.032 4.021 1.329 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -27.406 2.630 0.306 1.00 8.68 H new ATOM 36 N TRP A 66 -20.895 5.729 0.123 1.00 7.75 N ATOM 37 CA TRP A 66 -19.557 5.433 0.610 1.00 7.29 C ATOM 38 C TRP A 66 -18.575 6.515 0.176 1.00 7.94 C ATOM 39 O TRP A 66 -17.367 6.289 0.122 1.00 7.67 O ATOM 40 CB TRP A 66 -19.102 4.060 0.108 1.00 5.95 C ATOM 41 CG TRP A 66 -19.899 2.923 0.675 1.00 5.44 C ATOM 42 CD1 TRP A 66 -19.964 2.539 1.984 1.00 5.69 C ATOM 43 CD2 TRP A 66 -20.741 2.016 -0.048 1.00 4.95 C ATOM 44 NE1 TRP A 66 -20.796 1.453 2.119 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.283 1.114 0.887 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.090 1.880 -1.395 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.151 0.092 0.519 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -21.955 0.864 -1.758 1.00 4.46 C ATOM 49 CH2 TRP A 66 -22.476 -0.018 -0.805 1.00 4.35 C ATOM 0 H TRP A 66 -21.018 5.598 -0.881 1.00 7.75 H new ATOM 0 HA TRP A 66 -19.582 5.414 1.700 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -19.174 4.037 -0.979 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.051 3.919 0.361 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.438 3.019 2.796 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.014 0.978 2.995 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -20.692 2.555 -2.138 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -22.554 -0.591 1.252 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.233 0.749 -2.795 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.148 -0.802 -1.121 1.00 4.35 H new ATOM 60 N GLN A 67 -19.106 7.697 -0.118 1.00 8.91 N ATOM 61 CA GLN A 67 -18.282 8.824 -0.545 1.00 9.79 C ATOM 62 C GLN A 67 -17.287 9.244 0.549 1.00 10.34 C ATOM 63 O GLN A 67 -16.095 9.383 0.264 1.00 10.35 O ATOM 64 CB GLN A 67 -19.150 10.015 -0.960 1.00 10.87 C ATOM 65 CG GLN A 67 -18.463 10.954 -1.941 1.00 11.49 C ATOM 66 CD GLN A 67 -18.520 10.448 -3.368 1.00 12.17 C ATOM 67 OE1 GLN A 67 -19.457 10.750 -4.109 1.00 12.51 O ATOM 68 NE2 GLN A 67 -17.518 9.685 -3.769 1.00 12.54 N ATOM 0 H GLN A 67 -20.104 7.900 -0.069 1.00 8.91 H new ATOM 0 HA GLN A 67 -17.710 8.494 -1.412 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -20.071 9.644 -1.409 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -19.433 10.576 -0.069 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -18.933 11.936 -1.888 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -17.422 11.083 -1.646 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -16.761 9.458 -3.125 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -17.502 9.324 -4.723 1.00 12.54 H new ATOM 77 N PRO A 68 -17.733 9.453 1.816 1.00 10.91 N ATOM 78 CA PRO A 68 -16.824 9.844 2.901 1.00 11.55 C ATOM 79 C PRO A 68 -15.791 8.761 3.161 1.00 10.63 C ATOM 80 O PRO A 68 -14.637 9.041 3.493 1.00 10.96 O ATOM 81 CB PRO A 68 -17.738 10.009 4.121 1.00 12.27 C ATOM 82 CG PRO A 68 -19.112 10.139 3.565 1.00 12.32 C ATOM 83 CD PRO A 68 -19.123 9.332 2.300 1.00 11.14 C ATOM 0 HA PRO A 68 -16.267 10.751 2.664 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -17.663 9.150 4.788 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -17.464 10.889 4.702 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -19.855 9.769 4.271 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -19.355 11.183 3.365 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -19.396 8.293 2.486 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -19.838 9.725 1.577 1.00 11.14 H new ATOM 91 N GLN A 69 -16.222 7.517 2.989 1.00 9.49 N ATOM 92 CA GLN A 69 -15.358 6.365 3.181 1.00 8.55 C ATOM 93 C GLN A 69 -14.232 6.389 2.156 1.00 8.02 C ATOM 94 O GLN A 69 -13.079 6.099 2.478 1.00 7.78 O ATOM 95 CB GLN A 69 -16.164 5.067 3.060 1.00 7.60 C ATOM 96 CG GLN A 69 -17.047 4.770 4.268 1.00 8.24 C ATOM 97 CD GLN A 69 -18.219 5.724 4.399 1.00 9.20 C ATOM 98 OE1 GLN A 69 -18.739 6.232 3.408 1.00 9.45 O ATOM 99 NE2 GLN A 69 -18.645 5.972 5.626 1.00 9.96 N ATOM 0 H GLN A 69 -17.176 7.282 2.714 1.00 9.49 H new ATOM 0 HA GLN A 69 -14.927 6.408 4.181 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -16.790 5.122 2.170 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -15.475 4.236 2.914 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -17.424 3.750 4.193 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -16.442 4.821 5.173 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -18.187 5.531 6.424 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -19.431 6.604 5.775 1.00 9.96 H new ATOM 108 N LEU A 70 -14.575 6.750 0.921 1.00 8.02 N ATOM 109 CA LEU A 70 -13.597 6.841 -0.154 1.00 7.89 C ATOM 110 C LEU A 70 -12.542 7.885 0.187 1.00 8.90 C ATOM 111 O LEU A 70 -11.349 7.651 0.022 1.00 8.74 O ATOM 112 CB LEU A 70 -14.274 7.214 -1.477 1.00 8.18 C ATOM 113 CG LEU A 70 -15.134 6.119 -2.112 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.844 6.651 -3.345 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.285 4.909 -2.467 1.00 6.12 C ATOM 0 H LEU A 70 -15.528 6.985 0.642 1.00 8.02 H new ATOM 0 HA LEU A 70 -13.123 5.866 -0.265 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -14.899 8.091 -1.310 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -13.502 7.504 -2.190 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.886 5.808 -1.386 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -16.451 5.860 -3.785 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -16.485 7.487 -3.064 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -15.106 6.989 -4.073 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -14.915 4.142 -2.917 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.510 5.203 -3.175 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -13.820 4.513 -1.564 1.00 6.12 H new ATOM 127 N GLN A 71 -12.997 9.032 0.678 1.00 9.99 N ATOM 128 CA GLN A 71 -12.101 10.125 1.044 1.00 11.06 C ATOM 129 C GLN A 71 -11.175 9.714 2.184 1.00 10.72 C ATOM 130 O GLN A 71 -9.983 10.022 2.166 1.00 11.09 O ATOM 131 CB GLN A 71 -12.903 11.368 1.441 1.00 12.24 C ATOM 132 CG GLN A 71 -13.682 11.983 0.290 1.00 13.13 C ATOM 133 CD GLN A 71 -12.810 12.258 -0.921 1.00 13.82 C ATOM 134 OE1 GLN A 71 -12.670 11.412 -1.804 1.00 14.10 O ATOM 135 NE2 GLN A 71 -12.218 13.440 -0.971 1.00 14.24 N ATOM 0 H GLN A 71 -13.985 9.231 0.833 1.00 9.99 H new ATOM 0 HA GLN A 71 -11.490 10.363 0.173 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -13.598 11.103 2.238 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -12.222 12.115 1.848 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -14.493 11.312 0.005 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -14.140 12.914 0.622 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -12.360 14.114 -0.218 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -11.620 13.678 -1.762 1.00 14.24 H new ATOM 144 N GLN A 72 -11.727 9.008 3.166 1.00 10.10 N ATOM 145 CA GLN A 72 -10.950 8.550 4.314 1.00 9.84 C ATOM 146 C GLN A 72 -9.812 7.638 3.875 1.00 8.80 C ATOM 147 O GLN A 72 -8.698 7.720 4.397 1.00 8.95 O ATOM 148 CB GLN A 72 -11.847 7.822 5.313 1.00 9.58 C ATOM 149 CG GLN A 72 -12.500 8.745 6.327 1.00 10.51 C ATOM 150 CD GLN A 72 -11.484 9.477 7.180 1.00 11.48 C ATOM 151 OE1 GLN A 72 -11.093 10.667 6.752 1.00 11.74 O flip ATOM 152 NE2 GLN A 72 -11.050 8.978 8.217 1.00 12.15 N flip ATOM 0 H GLN A 72 -12.711 8.740 3.190 1.00 10.10 H new ATOM 0 HA GLN A 72 -10.521 9.427 4.798 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -12.624 7.286 4.768 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -11.256 7.074 5.842 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -13.123 9.471 5.805 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -13.160 8.164 6.971 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -11.375 8.058 8.515 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -10.365 9.484 8.779 1.00 12.15 H new ATOM 161 N LEU A 73 -10.095 6.771 2.915 1.00 7.83 N ATOM 162 CA LEU A 73 -9.090 5.854 2.406 1.00 6.88 C ATOM 163 C LEU A 73 -8.149 6.572 1.444 1.00 7.64 C ATOM 164 O LEU A 73 -6.958 6.266 1.379 1.00 7.45 O ATOM 165 CB LEU A 73 -9.755 4.652 1.734 1.00 5.88 C ATOM 166 CG LEU A 73 -10.489 3.707 2.691 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.045 2.509 1.944 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.564 3.245 3.809 1.00 4.47 C ATOM 0 H LEU A 73 -11.011 6.684 2.474 1.00 7.83 H new ATOM 0 HA LEU A 73 -8.497 5.486 3.243 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.464 5.015 0.990 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -8.993 4.085 1.199 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.320 4.257 3.133 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -11.562 1.852 2.643 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -11.745 2.849 1.181 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -10.228 1.964 1.471 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.106 2.575 4.476 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -8.711 2.719 3.381 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -9.212 4.110 4.371 1.00 4.47 H new ATOM 180 N ARG A 74 -8.681 7.539 0.704 1.00 8.61 N ATOM 181 CA ARG A 74 -7.873 8.319 -0.229 1.00 9.59 C ATOM 182 C ARG A 74 -6.820 9.112 0.539 1.00 10.26 C ATOM 183 O ARG A 74 -5.693 9.272 0.080 1.00 10.62 O ATOM 184 CB ARG A 74 -8.750 9.273 -1.047 1.00 10.58 C ATOM 185 CG ARG A 74 -9.329 8.652 -2.308 1.00 10.33 C ATOM 186 CD ARG A 74 -10.356 9.571 -2.950 1.00 11.09 C ATOM 187 NE ARG A 74 -10.771 9.103 -4.272 1.00 11.57 N ATOM 188 CZ ARG A 74 -11.924 9.435 -4.856 1.00 12.12 C ATOM 189 NH1 ARG A 74 -12.804 10.204 -4.230 1.00 12.26 N ATOM 190 NH2 ARG A 74 -12.206 8.986 -6.071 1.00 12.66 N ATOM 0 H ARG A 74 -9.666 7.802 0.731 1.00 8.61 H new ATOM 0 HA ARG A 74 -7.381 7.632 -0.917 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -9.568 9.626 -0.419 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -8.160 10.147 -1.323 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -8.527 8.447 -3.017 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.793 7.696 -2.066 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -11.230 9.644 -2.302 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -9.939 10.574 -3.037 1.00 11.09 H new ATOM 0 HE ARG A 74 -10.139 8.484 -4.780 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -12.603 10.549 -3.291 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -13.682 10.451 -4.687 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -11.541 8.386 -6.560 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -13.088 9.240 -6.517 1.00 12.66 H new ATOM 204 N ASP A 75 -7.205 9.574 1.728 1.00 10.54 N ATOM 205 CA ASP A 75 -6.319 10.350 2.595 1.00 11.27 C ATOM 206 C ASP A 75 -5.091 9.543 2.998 1.00 10.44 C ATOM 207 O ASP A 75 -3.986 10.077 3.066 1.00 10.88 O ATOM 208 CB ASP A 75 -7.069 10.807 3.850 1.00 11.97 C ATOM 209 CG ASP A 75 -6.182 11.572 4.813 1.00 12.96 C ATOM 210 OD1 ASP A 75 -5.961 12.783 4.589 1.00 13.34 O ATOM 211 OD2 ASP A 75 -5.708 10.975 5.807 1.00 13.39 O ATOM 0 H ASP A 75 -8.136 9.422 2.116 1.00 10.54 H new ATOM 0 HA ASP A 75 -5.987 11.223 2.033 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -7.909 11.437 3.558 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -7.484 9.937 4.358 1.00 11.97 H new ATOM 216 N MET A 76 -5.284 8.257 3.266 1.00 9.25 N ATOM 217 CA MET A 76 -4.172 7.403 3.663 1.00 8.38 C ATOM 218 C MET A 76 -3.314 7.041 2.455 1.00 8.05 C ATOM 219 O MET A 76 -2.107 6.833 2.580 1.00 7.84 O ATOM 220 CB MET A 76 -4.666 6.135 4.376 1.00 7.29 C ATOM 221 CG MET A 76 -5.175 5.044 3.447 1.00 7.05 C ATOM 222 SD MET A 76 -5.853 3.627 4.331 1.00 6.11 S ATOM 223 CE MET A 76 -4.363 2.879 4.989 1.00 6.19 C ATOM 0 H MET A 76 -6.188 7.787 3.217 1.00 9.25 H new ATOM 0 HA MET A 76 -3.558 7.963 4.369 1.00 8.38 H new ATOM 0 HB2 MET A 76 -3.851 5.731 4.977 1.00 7.29 H new ATOM 0 HB3 MET A 76 -5.465 6.409 5.065 1.00 7.29 H new ATOM 0 HG2 MET A 76 -5.943 5.459 2.794 1.00 7.05 H new ATOM 0 HG3 MET A 76 -4.359 4.709 2.807 1.00 7.05 H new ATOM 0 HE1 MET A 76 -4.607 1.917 5.439 1.00 6.19 H new ATOM 0 HE2 MET A 76 -3.644 2.731 4.183 1.00 6.19 H new ATOM 0 HE3 MET A 76 -3.931 3.534 5.746 1.00 6.19 H new ATOM 233 N GLY A 77 -3.933 6.976 1.284 1.00 8.19 N ATOM 234 CA GLY A 77 -3.189 6.647 0.090 1.00 8.26 C ATOM 235 C GLY A 77 -3.879 5.632 -0.802 1.00 7.78 C ATOM 236 O GLY A 77 -3.261 5.091 -1.719 1.00 8.03 O ATOM 0 H GLY A 77 -4.929 7.144 1.142 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -3.015 7.559 -0.481 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -2.212 6.259 0.378 1.00 8.26 H new ATOM 240 N ILE A 78 -5.150 5.348 -0.544 1.00 7.25 N ATOM 241 CA ILE A 78 -5.880 4.400 -1.371 1.00 6.87 C ATOM 242 C ILE A 78 -6.413 5.108 -2.614 1.00 7.92 C ATOM 243 O ILE A 78 -7.554 5.563 -2.649 1.00 8.11 O ATOM 244 CB ILE A 78 -7.045 3.719 -0.610 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.545 3.083 0.694 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.717 2.666 -1.484 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.496 2.008 0.495 1.00 4.22 C ATOM 0 H ILE A 78 -5.689 5.755 0.221 1.00 7.25 H new ATOM 0 HA ILE A 78 -5.182 3.613 -1.657 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.779 4.486 -0.363 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.132 3.865 1.332 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.394 2.653 1.225 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.532 2.200 -0.930 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -8.112 3.138 -2.383 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.988 1.906 -1.764 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -5.195 1.609 1.464 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -5.909 1.205 -0.116 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.628 2.435 -0.007 1.00 4.22 H new ATOM 259 N GLN A 79 -5.549 5.232 -3.616 1.00 8.74 N ATOM 260 CA GLN A 79 -5.905 5.875 -4.874 1.00 9.84 C ATOM 261 C GLN A 79 -6.995 5.083 -5.593 1.00 9.63 C ATOM 262 O GLN A 79 -7.866 5.654 -6.249 1.00 10.41 O ATOM 263 CB GLN A 79 -4.660 5.990 -5.759 1.00 10.93 C ATOM 264 CG GLN A 79 -4.960 6.132 -7.243 1.00 11.98 C ATOM 265 CD GLN A 79 -3.925 5.450 -8.115 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.667 5.507 -7.705 1.00 12.98 O flip ATOM 267 NE2 GLN A 79 -4.254 4.880 -9.155 1.00 12.99 N flip ATOM 0 H GLN A 79 -4.588 4.892 -3.579 1.00 8.74 H new ATOM 0 HA GLN A 79 -6.292 6.872 -4.665 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -4.076 6.851 -5.434 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.038 5.107 -5.608 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -5.942 5.709 -7.453 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -5.007 7.190 -7.501 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -5.234 4.858 -9.436 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -3.547 4.429 -9.735 1.00 12.99 H new ATOM 276 N ASP A 80 -6.938 3.764 -5.454 1.00 8.64 N ATOM 277 CA ASP A 80 -7.907 2.878 -6.089 1.00 8.48 C ATOM 278 C ASP A 80 -9.257 2.954 -5.391 1.00 7.69 C ATOM 279 O ASP A 80 -9.564 2.141 -4.516 1.00 6.59 O ATOM 280 CB ASP A 80 -7.411 1.430 -6.077 1.00 8.02 C ATOM 281 CG ASP A 80 -6.219 1.209 -6.982 1.00 9.04 C ATOM 282 OD1 ASP A 80 -6.416 1.002 -8.192 1.00 9.63 O ATOM 283 OD2 ASP A 80 -5.075 1.232 -6.481 1.00 9.40 O ATOM 0 H ASP A 80 -6.227 3.282 -4.904 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.023 3.208 -7.121 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.144 1.151 -5.058 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -8.222 0.771 -6.385 1.00 8.02 H new ATOM 288 N ASP A 81 -10.059 3.933 -5.779 1.00 8.34 N ATOM 289 CA ASP A 81 -11.383 4.109 -5.204 1.00 7.85 C ATOM 290 C ASP A 81 -12.319 3.027 -5.720 1.00 7.35 C ATOM 291 O ASP A 81 -13.336 2.718 -5.100 1.00 6.42 O ATOM 292 CB ASP A 81 -11.944 5.501 -5.525 1.00 8.97 C ATOM 293 CG ASP A 81 -12.286 5.689 -6.992 1.00 9.79 C ATOM 294 OD1 ASP A 81 -11.393 6.094 -7.768 1.00 10.41 O ATOM 295 OD2 ASP A 81 -13.452 5.448 -7.372 1.00 9.98 O ATOM 0 H ASP A 81 -9.815 4.620 -6.492 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.302 4.023 -4.120 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.839 5.671 -4.926 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -11.215 6.256 -5.230 1.00 8.97 H new ATOM 300 N GLU A 82 -11.956 2.447 -6.860 1.00 8.08 N ATOM 301 CA GLU A 82 -12.740 1.382 -7.467 1.00 7.93 C ATOM 302 C GLU A 82 -12.765 0.162 -6.550 1.00 6.97 C ATOM 303 O GLU A 82 -13.829 -0.363 -6.220 1.00 6.36 O ATOM 304 CB GLU A 82 -12.149 1.011 -8.829 1.00 9.21 C ATOM 305 CG GLU A 82 -12.988 0.018 -9.615 1.00 9.80 C ATOM 306 CD GLU A 82 -12.300 -1.320 -9.788 1.00 10.67 C ATOM 307 OE1 GLU A 82 -11.106 -1.337 -10.153 1.00 11.24 O ATOM 308 OE2 GLU A 82 -12.953 -2.359 -9.576 1.00 10.93 O ATOM 0 H GLU A 82 -11.118 2.700 -7.383 1.00 8.08 H new ATOM 0 HA GLU A 82 -13.763 1.731 -7.611 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -12.028 1.918 -9.421 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -11.153 0.593 -8.680 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -13.940 -0.131 -9.105 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -13.214 0.436 -10.596 1.00 9.80 H new ATOM 315 N LEU A 83 -11.584 -0.268 -6.126 1.00 6.96 N ATOM 316 CA LEU A 83 -11.462 -1.415 -5.237 1.00 6.31 C ATOM 317 C LEU A 83 -12.019 -1.061 -3.862 1.00 4.93 C ATOM 318 O LEU A 83 -12.601 -1.901 -3.180 1.00 4.43 O ATOM 319 CB LEU A 83 -9.994 -1.845 -5.132 1.00 6.75 C ATOM 320 CG LEU A 83 -9.737 -3.359 -5.187 1.00 7.08 C ATOM 321 CD1 LEU A 83 -10.105 -4.018 -3.868 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.507 -4.002 -6.334 1.00 7.88 C ATOM 0 H LEU A 83 -10.696 0.161 -6.384 1.00 6.96 H new ATOM 0 HA LEU A 83 -12.035 -2.249 -5.642 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.437 -1.371 -5.940 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.588 -1.460 -4.197 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.672 -3.510 -5.363 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -9.915 -5.089 -3.931 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -9.503 -3.589 -3.067 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -11.161 -3.849 -3.659 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -10.308 -5.073 -6.351 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.575 -3.834 -6.195 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -10.190 -3.559 -7.278 1.00 7.88 H new ATOM 334 N SER A 84 -11.855 0.199 -3.481 1.00 4.61 N ATOM 335 CA SER A 84 -12.344 0.681 -2.200 1.00 3.54 C ATOM 336 C SER A 84 -13.863 0.554 -2.127 1.00 3.20 C ATOM 337 O SER A 84 -14.399 0.014 -1.163 1.00 2.40 O ATOM 338 CB SER A 84 -11.922 2.138 -1.991 1.00 4.04 C ATOM 339 OG SER A 84 -12.487 2.677 -0.808 1.00 4.41 O ATOM 0 H SER A 84 -11.385 0.907 -4.045 1.00 4.61 H new ATOM 0 HA SER A 84 -11.909 0.071 -1.408 1.00 3.54 H new ATOM 0 HB2 SER A 84 -10.835 2.199 -1.937 1.00 4.04 H new ATOM 0 HB3 SER A 84 -12.233 2.735 -2.849 1.00 4.04 H new ATOM 0 HG SER A 84 -12.760 1.947 -0.214 1.00 4.41 H new ATOM 345 N LEU A 85 -14.547 1.037 -3.157 1.00 4.01 N ATOM 346 CA LEU A 85 -16.003 0.979 -3.208 1.00 3.84 C ATOM 347 C LEU A 85 -16.483 -0.469 -3.114 1.00 3.28 C ATOM 348 O LEU A 85 -17.419 -0.777 -2.377 1.00 2.78 O ATOM 349 CB LEU A 85 -16.506 1.627 -4.503 1.00 4.96 C ATOM 350 CG LEU A 85 -17.846 2.369 -4.414 1.00 5.14 C ATOM 351 CD1 LEU A 85 -19.005 1.391 -4.336 1.00 4.60 C ATOM 352 CD2 LEU A 85 -17.866 3.313 -3.222 1.00 5.12 C ATOM 0 H LEU A 85 -14.115 1.475 -3.971 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.408 1.529 -2.359 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.748 2.329 -4.851 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.594 0.850 -5.263 1.00 4.96 H new ATOM 0 HG LEU A 85 -17.959 2.961 -5.322 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.943 1.943 -4.274 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -19.012 0.763 -5.227 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.893 0.764 -3.451 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -18.826 3.827 -3.181 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.720 2.743 -2.304 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.066 4.046 -3.325 1.00 5.12 H new ATOM 364 N ARG A 86 -15.817 -1.356 -3.844 1.00 3.88 N ATOM 365 CA ARG A 86 -16.169 -2.772 -3.845 1.00 4.19 C ATOM 366 C ARG A 86 -15.966 -3.385 -2.461 1.00 3.70 C ATOM 367 O ARG A 86 -16.769 -4.204 -2.009 1.00 3.99 O ATOM 368 CB ARG A 86 -15.342 -3.517 -4.889 1.00 5.40 C ATOM 369 CG ARG A 86 -15.715 -3.154 -6.314 1.00 6.27 C ATOM 370 CD ARG A 86 -14.660 -3.612 -7.305 1.00 7.50 C ATOM 371 NE ARG A 86 -14.592 -5.069 -7.414 1.00 8.08 N ATOM 372 CZ ARG A 86 -13.798 -5.710 -8.273 1.00 9.13 C ATOM 373 NH1 ARG A 86 -13.028 -5.024 -9.109 1.00 9.71 N ATOM 374 NH2 ARG A 86 -13.786 -7.036 -8.306 1.00 9.73 N ATOM 0 H ARG A 86 -15.028 -1.119 -4.445 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.224 -2.865 -4.102 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.286 -3.300 -4.730 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.471 -4.590 -4.748 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.673 -3.609 -6.566 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -15.844 -2.075 -6.393 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -14.877 -3.187 -8.285 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.687 -3.228 -6.999 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.185 -5.626 -6.799 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -13.043 -4.004 -9.095 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -12.422 -5.517 -9.765 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -14.385 -7.567 -7.674 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -13.178 -7.524 -8.964 1.00 9.73 H new ATOM 388 N ALA A 87 -14.895 -2.976 -1.788 1.00 3.29 N ATOM 389 CA ALA A 87 -14.597 -3.467 -0.449 1.00 3.24 C ATOM 390 C ALA A 87 -15.640 -2.955 0.538 1.00 2.92 C ATOM 391 O ALA A 87 -16.088 -3.685 1.426 1.00 3.77 O ATOM 392 CB ALA A 87 -13.201 -3.040 -0.019 1.00 2.94 C ATOM 0 H ALA A 87 -14.218 -2.304 -2.150 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.630 -4.556 -0.462 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -12.998 -3.417 0.984 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.466 -3.445 -0.715 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -13.138 -1.952 -0.018 1.00 2.94 H new ATOM 398 N LEU A 88 -16.028 -1.695 0.368 1.00 2.29 N ATOM 399 CA LEU A 88 -17.035 -1.079 1.222 1.00 2.80 C ATOM 400 C LEU A 88 -18.384 -1.753 1.001 1.00 3.31 C ATOM 401 O LEU A 88 -19.156 -1.948 1.934 1.00 4.23 O ATOM 402 CB LEU A 88 -17.144 0.422 0.932 1.00 2.96 C ATOM 403 CG LEU A 88 -16.362 1.346 1.877 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.851 1.198 3.309 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.869 1.068 1.795 1.00 3.12 C ATOM 0 H LEU A 88 -15.658 -1.080 -0.356 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.735 -1.208 2.262 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.801 0.601 -0.087 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -18.196 0.704 0.968 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.538 2.374 1.559 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.281 1.863 3.959 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.908 1.458 3.361 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.714 0.167 3.635 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.337 1.735 2.473 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.676 0.033 2.078 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.523 1.236 0.775 1.00 3.12 H new ATOM 417 N GLN A 89 -18.650 -2.107 -0.249 1.00 2.99 N ATOM 418 CA GLN A 89 -19.886 -2.779 -0.621 1.00 3.54 C ATOM 419 C GLN A 89 -19.940 -4.173 0.000 1.00 4.52 C ATOM 420 O GLN A 89 -20.981 -4.601 0.501 1.00 5.29 O ATOM 421 CB GLN A 89 -19.985 -2.861 -2.152 1.00 3.40 C ATOM 422 CG GLN A 89 -20.640 -4.131 -2.678 1.00 3.28 C ATOM 423 CD GLN A 89 -20.230 -4.441 -4.105 1.00 3.90 C ATOM 424 OE1 GLN A 89 -20.900 -4.036 -5.054 1.00 4.41 O ATOM 425 NE2 GLN A 89 -19.127 -5.161 -4.265 1.00 4.33 N ATOM 0 H GLN A 89 -18.017 -1.937 -1.031 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.734 -2.208 -0.243 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.549 -2.001 -2.513 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -18.982 -2.784 -2.572 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -20.371 -4.969 -2.035 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -21.724 -4.026 -2.628 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -18.601 -5.477 -3.450 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -18.805 -5.399 -5.203 1.00 4.33 H new ATOM 434 N ALA A 90 -18.805 -4.864 -0.020 1.00 4.72 N ATOM 435 CA ALA A 90 -18.708 -6.211 0.532 1.00 5.90 C ATOM 436 C ALA A 90 -18.895 -6.208 2.047 1.00 6.49 C ATOM 437 O ALA A 90 -19.547 -7.092 2.605 1.00 7.58 O ATOM 438 CB ALA A 90 -17.366 -6.830 0.168 1.00 6.16 C ATOM 0 H ALA A 90 -17.934 -4.510 -0.415 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.509 -6.810 0.099 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.304 -7.835 0.585 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.271 -6.880 -0.917 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.561 -6.218 0.575 1.00 6.16 H new ATOM 444 N THR A 91 -18.326 -5.210 2.702 1.00 5.96 N ATOM 445 CA THR A 91 -18.424 -5.096 4.149 1.00 6.79 C ATOM 446 C THR A 91 -19.769 -4.511 4.569 1.00 7.26 C ATOM 447 O THR A 91 -20.253 -4.761 5.671 1.00 8.28 O ATOM 448 CB THR A 91 -17.288 -4.224 4.713 1.00 6.34 C ATOM 449 OG1 THR A 91 -17.196 -2.999 3.968 1.00 5.23 O ATOM 450 CG2 THR A 91 -15.960 -4.959 4.644 1.00 6.30 C ATOM 0 H THR A 91 -17.791 -4.466 2.255 1.00 5.96 H new ATOM 0 HA THR A 91 -18.336 -6.103 4.557 1.00 6.79 H new ATOM 0 HB THR A 91 -17.512 -4.002 5.756 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.689 -3.155 3.144 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.171 -4.324 5.048 1.00 6.30 H new ATOM 0 HG22 THR A 91 -16.022 -5.877 5.228 1.00 6.30 H new ATOM 0 HG23 THR A 91 -15.733 -5.204 3.606 1.00 6.30 H new ATOM 458 N GLY A 92 -20.367 -3.728 3.681 1.00 6.62 N ATOM 459 CA GLY A 92 -21.643 -3.108 3.973 1.00 7.16 C ATOM 460 C GLY A 92 -21.478 -1.650 4.349 1.00 7.11 C ATOM 461 O GLY A 92 -22.420 -0.862 4.269 1.00 7.79 O ATOM 0 H GLY A 92 -19.988 -3.511 2.759 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.296 -3.189 3.104 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -22.130 -3.642 4.789 1.00 7.16 H new ATOM 465 N GLY A 93 -20.261 -1.291 4.738 1.00 6.52 N ATOM 466 CA GLY A 93 -19.971 0.073 5.128 1.00 6.76 C ATOM 467 C GLY A 93 -18.990 0.137 6.277 1.00 7.35 C ATOM 468 O GLY A 93 -19.212 0.849 7.254 1.00 8.35 O ATOM 0 H GLY A 93 -19.465 -1.927 4.790 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.565 0.616 4.274 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.897 0.573 5.413 1.00 6.76 H new ATOM 472 N ASP A 94 -17.897 -0.605 6.160 1.00 6.83 N ATOM 473 CA ASP A 94 -16.883 -0.634 7.207 1.00 7.34 C ATOM 474 C ASP A 94 -15.516 -0.301 6.627 1.00 6.34 C ATOM 475 O ASP A 94 -15.122 -0.851 5.604 1.00 5.39 O ATOM 476 CB ASP A 94 -16.850 -2.010 7.873 1.00 8.06 C ATOM 477 CG ASP A 94 -16.228 -1.979 9.254 1.00 8.93 C ATOM 478 OD1 ASP A 94 -14.981 -1.963 9.361 1.00 9.06 O ATOM 479 OD2 ASP A 94 -16.984 -1.978 10.248 1.00 9.60 O ATOM 0 H ASP A 94 -17.690 -1.194 5.353 1.00 6.83 H new ATOM 0 HA ASP A 94 -17.137 0.114 7.958 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.866 -2.398 7.946 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -16.290 -2.700 7.243 1.00 8.06 H new ATOM 484 N ILE A 95 -14.799 0.604 7.280 1.00 6.69 N ATOM 485 CA ILE A 95 -13.480 1.022 6.815 1.00 5.90 C ATOM 486 C ILE A 95 -12.394 0.043 7.256 1.00 5.73 C ATOM 487 O ILE A 95 -11.565 -0.383 6.450 1.00 4.72 O ATOM 488 CB ILE A 95 -13.140 2.446 7.320 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.920 3.496 6.520 1.00 7.07 C ATOM 490 CG2 ILE A 95 -11.641 2.726 7.239 1.00 6.13 C ATOM 491 CD1 ILE A 95 -13.559 3.530 5.047 1.00 6.13 C ATOM 0 H ILE A 95 -15.108 1.065 8.136 1.00 6.69 H new ATOM 0 HA ILE A 95 -13.512 1.031 5.725 1.00 5.90 H new ATOM 0 HB ILE A 95 -13.435 2.506 8.368 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.987 3.297 6.619 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -13.737 4.480 6.953 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -11.439 3.734 7.601 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -11.102 2.005 7.854 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -11.310 2.639 6.204 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -14.150 4.296 4.545 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -12.499 3.760 4.937 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -13.768 2.559 4.599 1.00 6.13 H new ATOM 503 N GLN A 96 -12.412 -0.325 8.529 1.00 6.84 N ATOM 504 CA GLN A 96 -11.419 -1.244 9.068 1.00 7.04 C ATOM 505 C GLN A 96 -11.510 -2.608 8.397 1.00 6.72 C ATOM 506 O GLN A 96 -10.494 -3.181 8.002 1.00 6.21 O ATOM 507 CB GLN A 96 -11.589 -1.381 10.578 1.00 8.47 C ATOM 508 CG GLN A 96 -10.556 -0.600 11.370 1.00 8.96 C ATOM 509 CD GLN A 96 -9.152 -1.161 11.219 1.00 9.42 C ATOM 510 OE1 GLN A 96 -9.036 -2.479 11.132 1.00 9.63 O flip ATOM 511 NE2 GLN A 96 -8.175 -0.413 11.194 1.00 9.81 N flip ATOM 0 H GLN A 96 -13.102 -0.002 9.207 1.00 6.84 H new ATOM 0 HA GLN A 96 -10.431 -0.833 8.861 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -12.586 -1.039 10.857 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -11.525 -2.435 10.850 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -10.564 0.440 11.043 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -10.833 -0.605 12.424 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -8.304 0.596 11.263 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -7.237 -0.803 11.104 1.00 9.81 H new ATOM 520 N ALA A 97 -12.727 -3.118 8.253 1.00 7.19 N ATOM 521 CA ALA A 97 -12.929 -4.412 7.618 1.00 7.30 C ATOM 522 C ALA A 97 -12.599 -4.337 6.132 1.00 6.10 C ATOM 523 O ALA A 97 -12.209 -5.333 5.529 1.00 6.26 O ATOM 524 CB ALA A 97 -14.353 -4.902 7.827 1.00 8.11 C ATOM 0 H ALA A 97 -13.582 -2.659 8.565 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.253 -5.128 8.085 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.479 -5.871 7.343 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.551 -5.001 8.894 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -15.051 -4.186 7.393 1.00 8.11 H new ATOM 530 N ALA A 98 -12.752 -3.149 5.546 1.00 5.11 N ATOM 531 CA ALA A 98 -12.451 -2.950 4.132 1.00 3.96 C ATOM 532 C ALA A 98 -10.973 -3.199 3.878 1.00 3.50 C ATOM 533 O ALA A 98 -10.598 -3.801 2.872 1.00 3.58 O ATOM 534 CB ALA A 98 -12.835 -1.547 3.685 1.00 3.13 C ATOM 0 H ALA A 98 -13.082 -2.313 6.029 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.038 -3.661 3.551 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -12.600 -1.425 2.628 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -13.903 -1.396 3.839 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.277 -0.814 4.267 1.00 3.13 H new ATOM 540 N LEU A 99 -10.142 -2.749 4.811 1.00 3.43 N ATOM 541 CA LEU A 99 -8.701 -2.932 4.707 1.00 3.02 C ATOM 542 C LEU A 99 -8.375 -4.419 4.710 1.00 3.99 C ATOM 543 O LEU A 99 -7.537 -4.890 3.942 1.00 3.99 O ATOM 544 CB LEU A 99 -7.990 -2.235 5.871 1.00 3.22 C ATOM 545 CG LEU A 99 -8.197 -0.720 5.950 1.00 2.80 C ATOM 546 CD1 LEU A 99 -7.669 -0.178 7.269 1.00 3.12 C ATOM 547 CD2 LEU A 99 -7.517 -0.025 4.782 1.00 2.72 C ATOM 0 H LEU A 99 -10.444 -2.253 5.650 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.353 -2.489 3.774 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.333 -2.681 6.804 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -6.921 -2.436 5.795 1.00 3.22 H new ATOM 0 HG LEU A 99 -9.267 -0.518 5.896 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.824 0.900 7.308 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -8.200 -0.651 8.095 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.604 -0.394 7.351 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -7.676 1.051 4.856 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -6.448 -0.237 4.805 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -7.939 -0.390 3.846 1.00 2.72 H new ATOM 559 N GLU A 100 -9.067 -5.154 5.569 1.00 5.11 N ATOM 560 CA GLU A 100 -8.872 -6.589 5.677 1.00 6.25 C ATOM 561 C GLU A 100 -9.421 -7.292 4.438 1.00 6.58 C ATOM 562 O GLU A 100 -8.870 -8.294 3.984 1.00 7.26 O ATOM 563 CB GLU A 100 -9.556 -7.116 6.935 1.00 7.44 C ATOM 564 CG GLU A 100 -9.129 -6.392 8.201 1.00 7.73 C ATOM 565 CD GLU A 100 -9.658 -7.053 9.452 1.00 8.52 C ATOM 566 OE1 GLU A 100 -9.503 -8.283 9.587 1.00 8.97 O ATOM 567 OE2 GLU A 100 -10.223 -6.345 10.311 1.00 8.88 O ATOM 0 H GLU A 100 -9.771 -4.776 6.203 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.804 -6.796 5.747 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -10.636 -7.023 6.819 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.337 -8.178 7.041 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -8.041 -6.356 8.246 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -9.481 -5.361 8.162 1.00 7.73 H new ATOM 574 N LEU A 101 -10.505 -6.752 3.895 1.00 6.27 N ATOM 575 CA LEU A 101 -11.132 -7.307 2.700 1.00 6.77 C ATOM 576 C LEU A 101 -10.198 -7.192 1.501 1.00 6.45 C ATOM 577 O LEU A 101 -10.093 -8.118 0.696 1.00 7.40 O ATOM 578 CB LEU A 101 -12.456 -6.591 2.411 1.00 6.50 C ATOM 579 CG LEU A 101 -13.724 -7.370 2.775 1.00 7.42 C ATOM 580 CD1 LEU A 101 -13.955 -8.499 1.787 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.641 -7.916 4.195 1.00 8.03 C ATOM 0 H LEU A 101 -10.972 -5.924 4.266 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.336 -8.363 2.879 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.463 -5.646 2.954 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -12.493 -6.348 1.349 1.00 6.50 H new ATOM 0 HG LEU A 101 -14.569 -6.683 2.725 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -14.860 -9.042 2.060 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -14.068 -8.087 0.784 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -13.104 -9.179 1.806 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.554 -8.465 4.428 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -12.784 -8.585 4.278 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -13.526 -7.090 4.896 1.00 8.03 H new ATOM 593 N ILE A 102 -9.517 -6.053 1.390 1.00 5.30 N ATOM 594 CA ILE A 102 -8.575 -5.828 0.300 1.00 5.26 C ATOM 595 C ILE A 102 -7.342 -6.706 0.493 1.00 5.93 C ATOM 596 O ILE A 102 -6.815 -7.272 -0.464 1.00 6.78 O ATOM 597 CB ILE A 102 -8.154 -4.342 0.206 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.381 -3.461 -0.049 1.00 3.48 C ATOM 599 CG2 ILE A 102 -7.121 -4.145 -0.896 1.00 4.62 C ATOM 600 CD1 ILE A 102 -9.077 -1.978 -0.055 1.00 2.57 C ATOM 0 H ILE A 102 -9.601 -5.273 2.042 1.00 5.30 H new ATOM 0 HA ILE A 102 -9.073 -6.093 -0.633 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.703 -4.049 1.154 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -9.821 -3.736 -1.007 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -10.129 -3.666 0.716 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -6.838 -3.094 -0.946 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.239 -4.748 -0.680 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -7.546 -4.452 -1.852 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -9.994 -1.419 -0.242 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -8.665 -1.687 0.911 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.352 -1.758 -0.839 1.00 2.57 H new ATOM 612 N PHE A 103 -6.911 -6.835 1.746 1.00 5.72 N ATOM 613 CA PHE A 103 -5.751 -7.656 2.088 1.00 6.33 C ATOM 614 C PHE A 103 -6.024 -9.126 1.766 1.00 7.75 C ATOM 615 O PHE A 103 -5.107 -9.892 1.469 1.00 8.49 O ATOM 616 CB PHE A 103 -5.407 -7.489 3.572 1.00 5.96 C ATOM 617 CG PHE A 103 -4.077 -8.072 3.958 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.906 -7.605 3.384 1.00 6.20 C ATOM 619 CD2 PHE A 103 -3.998 -9.089 4.896 1.00 6.17 C ATOM 620 CE1 PHE A 103 -1.682 -8.139 3.737 1.00 6.41 C ATOM 621 CE2 PHE A 103 -2.776 -9.627 5.254 1.00 6.39 C ATOM 622 CZ PHE A 103 -1.617 -9.152 4.673 1.00 6.50 C ATOM 0 H PHE A 103 -7.350 -6.379 2.545 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.900 -7.325 1.492 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -5.413 -6.427 3.819 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -6.187 -7.960 4.171 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -2.951 -6.813 2.651 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -4.901 -9.466 5.353 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.777 -7.765 3.282 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -2.728 -10.418 5.988 1.00 6.39 H new ATOM 0 HZ PHE A 103 -0.661 -9.572 4.950 1.00 6.50 H new ATOM 632 N ALA A 104 -7.292 -9.510 1.845 1.00 8.21 N ATOM 633 CA ALA A 104 -7.700 -10.873 1.541 1.00 9.59 C ATOM 634 C ALA A 104 -7.934 -11.029 0.044 1.00 10.06 C ATOM 635 O ALA A 104 -7.572 -12.039 -0.556 1.00 10.71 O ATOM 636 CB ALA A 104 -8.957 -11.236 2.319 1.00 10.13 C ATOM 0 H ALA A 104 -8.057 -8.893 2.118 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.903 -11.553 1.841 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -9.250 -12.259 2.081 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -8.760 -11.155 3.388 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.763 -10.555 2.046 1.00 10.13 H new ATOM 642 N GLY A 105 -8.535 -10.012 -0.552 1.00 9.88 N ATOM 643 CA GLY A 105 -8.811 -10.036 -1.971 1.00 10.43 C ATOM 644 C GLY A 105 -10.270 -10.301 -2.261 1.00 10.44 C ATOM 645 O GLY A 105 -10.601 -10.991 -3.222 1.00 11.29 O ATOM 0 H GLY A 105 -8.839 -9.164 -0.073 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -8.521 -9.082 -2.413 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -8.202 -10.805 -2.446 1.00 10.43 H new ATOM 649 N GLY A 106 -11.143 -9.757 -1.427 1.00 9.61 N ATOM 650 CA GLY A 106 -12.566 -9.951 -1.616 1.00 9.65 C ATOM 651 C GLY A 106 -13.052 -11.225 -0.964 1.00 9.16 C ATOM 652 O GLY A 106 -13.470 -11.220 0.196 1.00 8.46 O ATOM 0 H GLY A 106 -10.892 -9.184 -0.622 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -13.107 -9.101 -1.200 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -12.790 -9.980 -2.682 1.00 9.65 H new ATOM 656 N ALA A 107 -12.995 -12.323 -1.699 1.00 9.69 N ATOM 657 CA ALA A 107 -13.426 -13.610 -1.180 1.00 9.44 C ATOM 658 C ALA A 107 -12.492 -14.720 -1.650 1.00 10.28 C ATOM 659 O ALA A 107 -12.745 -15.365 -2.668 1.00 11.13 O ATOM 660 CB ALA A 107 -14.859 -13.899 -1.602 1.00 9.49 C ATOM 0 H ALA A 107 -12.653 -12.349 -2.660 1.00 9.69 H new ATOM 0 HA ALA A 107 -13.388 -13.573 -0.091 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -15.167 -14.866 -1.205 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -15.517 -13.121 -1.213 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -14.921 -13.916 -2.690 1.00 9.49 H new ATOM 666 N PRO A 108 -11.379 -14.931 -0.930 1.00 10.24 N ATOM 667 CA PRO A 108 -10.404 -15.974 -1.265 1.00 11.19 C ATOM 668 C PRO A 108 -11.011 -17.366 -1.149 1.00 11.68 C ATOM 669 O PRO A 108 -11.537 -17.688 -0.060 1.00 12.15 O ATOM 670 CB PRO A 108 -9.292 -15.798 -0.222 1.00 11.08 C ATOM 671 CG PRO A 108 -9.507 -14.444 0.366 1.00 10.16 C ATOM 672 CD PRO A 108 -10.978 -14.169 0.264 1.00 9.48 C ATOM 673 OXT PRO A 108 -10.970 -18.129 -2.136 1.00 11.71 O ATOM 0 HA PRO A 108 -10.050 -15.882 -2.292 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -9.347 -16.572 0.544 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -8.307 -15.874 -0.682 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -9.177 -14.414 1.404 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -8.932 -13.691 -0.173 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -11.513 -14.502 1.153 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -11.182 -13.104 0.150 1.00 9.48 H new TER 681 PRO A 108 ATOM 682 N MET B 1 19.549 0.877 4.896 1.00 3.94 N ATOM 683 CA MET B 1 18.699 1.285 6.034 1.00 3.71 C ATOM 684 C MET B 1 17.524 0.328 6.198 1.00 3.30 C ATOM 685 O MET B 1 16.948 -0.140 5.214 1.00 3.21 O ATOM 686 CB MET B 1 18.188 2.718 5.832 1.00 3.98 C ATOM 687 CG MET B 1 17.286 2.891 4.618 1.00 3.93 C ATOM 688 SD MET B 1 17.304 4.576 3.976 1.00 4.45 S ATOM 689 CE MET B 1 16.070 4.454 2.683 1.00 4.38 C ATOM 0 H1 MET B 1 20.048 1.708 4.520 1.00 3.94 H new ATOM 0 H2 MET B 1 20.243 0.172 5.217 1.00 3.94 H new ATOM 0 H3 MET B 1 18.955 0.463 4.150 1.00 3.94 H new ATOM 0 HA MET B 1 19.303 1.251 6.941 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.642 3.027 6.724 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.043 3.387 5.734 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.603 2.204 3.834 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.265 2.619 4.887 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.964 5.420 2.189 1.00 4.38 H new ATOM 0 HE2 MET B 1 16.380 3.705 1.954 1.00 4.38 H new ATOM 0 HE3 MET B 1 15.114 4.163 3.119 1.00 4.38 H new ATOM 701 N GLN B 2 17.193 0.019 7.442 1.00 3.23 N ATOM 702 CA GLN B 2 16.080 -0.867 7.745 1.00 3.03 C ATOM 703 C GLN B 2 14.787 -0.060 7.824 1.00 2.89 C ATOM 704 O GLN B 2 14.567 0.687 8.781 1.00 3.18 O ATOM 705 CB GLN B 2 16.335 -1.605 9.065 1.00 3.32 C ATOM 706 CG GLN B 2 15.096 -2.255 9.659 1.00 3.40 C ATOM 707 CD GLN B 2 15.195 -2.428 11.161 1.00 3.92 C ATOM 708 OE1 GLN B 2 15.606 -3.478 11.653 1.00 4.23 O ATOM 709 NE2 GLN B 2 14.818 -1.400 11.902 1.00 4.19 N ATOM 0 H GLN B 2 17.684 0.372 8.264 1.00 3.23 H new ATOM 0 HA GLN B 2 15.985 -1.608 6.951 1.00 3.03 H new ATOM 0 HB2 GLN B 2 17.092 -2.372 8.900 1.00 3.32 H new ATOM 0 HB3 GLN B 2 16.746 -0.902 9.789 1.00 3.32 H new ATOM 0 HG2 GLN B 2 14.222 -1.647 9.423 1.00 3.40 H new ATOM 0 HG3 GLN B 2 14.942 -3.229 9.194 1.00 3.40 H new ATOM 0 HE21 GLN B 2 14.483 -0.546 11.456 1.00 4.19 H new ATOM 0 HE22 GLN B 2 14.862 -1.461 12.919 1.00 4.19 H new ATOM 718 N ILE B 3 13.946 -0.195 6.811 1.00 2.59 N ATOM 719 CA ILE B 3 12.685 0.528 6.771 1.00 2.46 C ATOM 720 C ILE B 3 11.545 -0.359 7.247 1.00 2.37 C ATOM 721 O ILE B 3 11.703 -1.578 7.381 1.00 2.51 O ATOM 722 CB ILE B 3 12.359 1.062 5.358 1.00 2.36 C ATOM 723 CG1 ILE B 3 12.167 -0.094 4.373 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.460 1.996 4.879 1.00 2.82 C ATOM 725 CD1 ILE B 3 11.537 0.324 3.063 1.00 2.38 C ATOM 0 H ILE B 3 14.114 -0.798 6.006 1.00 2.59 H new ATOM 0 HA ILE B 3 12.794 1.383 7.439 1.00 2.46 H new ATOM 0 HB ILE B 3 11.426 1.623 5.409 1.00 2.36 H new ATOM 0 HG12 ILE B 3 13.135 -0.552 4.171 1.00 2.27 H new ATOM 0 HG13 ILE B 3 11.544 -0.857 4.839 1.00 2.27 H new ATOM 0 HG21 ILE B 3 13.217 2.364 3.882 1.00 2.82 H new ATOM 0 HG22 ILE B 3 13.547 2.838 5.566 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.406 1.456 4.845 1.00 2.82 H new ATOM 0 HD11 ILE B 3 11.432 -0.547 2.416 1.00 2.38 H new ATOM 0 HD12 ILE B 3 10.554 0.755 3.253 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.170 1.065 2.575 1.00 2.38 H new ATOM 737 N PHE B 4 10.403 0.257 7.497 1.00 2.37 N ATOM 738 CA PHE B 4 9.231 -0.463 7.961 1.00 2.50 C ATOM 739 C PHE B 4 8.131 -0.390 6.917 1.00 2.11 C ATOM 740 O PHE B 4 7.703 0.696 6.528 1.00 1.98 O ATOM 741 CB PHE B 4 8.740 0.125 9.289 1.00 3.07 C ATOM 742 CG PHE B 4 9.820 0.242 10.326 1.00 3.52 C ATOM 743 CD1 PHE B 4 10.234 -0.870 11.042 1.00 3.82 C ATOM 744 CD2 PHE B 4 10.427 1.462 10.582 1.00 3.79 C ATOM 745 CE1 PHE B 4 11.233 -0.769 11.990 1.00 4.25 C ATOM 746 CE2 PHE B 4 11.428 1.569 11.529 1.00 4.21 C ATOM 747 CZ PHE B 4 11.831 0.452 12.235 1.00 4.39 C ATOM 0 H PHE B 4 10.263 1.261 7.385 1.00 2.37 H new ATOM 0 HA PHE B 4 9.498 -1.508 8.120 1.00 2.50 H new ATOM 0 HB2 PHE B 4 8.315 1.112 9.106 1.00 3.07 H new ATOM 0 HB3 PHE B 4 7.938 -0.501 9.680 1.00 3.07 H new ATOM 0 HD1 PHE B 4 9.770 -1.827 10.856 1.00 3.82 H new ATOM 0 HD2 PHE B 4 10.114 2.339 10.035 1.00 3.79 H new ATOM 0 HE1 PHE B 4 11.547 -1.644 12.540 1.00 4.25 H new ATOM 0 HE2 PHE B 4 11.895 2.525 11.717 1.00 4.21 H new ATOM 0 HZ PHE B 4 12.612 0.533 12.977 1.00 4.39 H new ATOM 757 N VAL B 5 7.694 -1.540 6.443 1.00 2.12 N ATOM 758 CA VAL B 5 6.642 -1.589 5.442 1.00 1.86 C ATOM 759 C VAL B 5 5.383 -2.210 6.033 1.00 2.31 C ATOM 760 O VAL B 5 5.309 -3.420 6.251 1.00 2.88 O ATOM 761 CB VAL B 5 7.074 -2.381 4.189 1.00 1.97 C ATOM 762 CG1 VAL B 5 6.147 -2.081 3.022 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.518 -2.071 3.819 1.00 1.92 C ATOM 0 H VAL B 5 8.049 -2.452 6.733 1.00 2.12 H new ATOM 0 HA VAL B 5 6.437 -0.563 5.135 1.00 1.86 H new ATOM 0 HB VAL B 5 7.006 -3.444 4.421 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.467 -2.648 2.148 1.00 1.84 H new ATOM 0 HG12 VAL B 5 5.128 -2.364 3.285 1.00 1.84 H new ATOM 0 HG13 VAL B 5 6.181 -1.015 2.795 1.00 1.84 H new ATOM 0 HG21 VAL B 5 8.797 -2.642 2.933 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.620 -1.006 3.611 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.172 -2.343 4.647 1.00 1.92 H new ATOM 773 N LYS B 6 4.401 -1.369 6.307 1.00 2.22 N ATOM 774 CA LYS B 6 3.144 -1.819 6.876 1.00 2.75 C ATOM 775 C LYS B 6 2.143 -2.078 5.762 1.00 2.53 C ATOM 776 O LYS B 6 1.933 -1.227 4.902 1.00 2.01 O ATOM 777 CB LYS B 6 2.595 -0.771 7.845 1.00 3.10 C ATOM 778 CG LYS B 6 1.407 -1.247 8.667 1.00 3.77 C ATOM 779 CD LYS B 6 0.850 -0.126 9.530 1.00 4.23 C ATOM 780 CE LYS B 6 -0.300 -0.605 10.399 1.00 4.92 C ATOM 781 NZ LYS B 6 -0.876 0.497 11.212 1.00 5.45 N ATOM 0 H LYS B 6 4.452 -0.364 6.143 1.00 2.22 H new ATOM 0 HA LYS B 6 3.314 -2.744 7.427 1.00 2.75 H new ATOM 0 HB2 LYS B 6 3.392 -0.465 8.522 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.301 0.113 7.279 1.00 3.10 H new ATOM 0 HG2 LYS B 6 0.627 -1.619 8.002 1.00 3.77 H new ATOM 0 HG3 LYS B 6 1.710 -2.080 9.300 1.00 3.77 H new ATOM 0 HD2 LYS B 6 1.642 0.274 10.163 1.00 4.23 H new ATOM 0 HD3 LYS B 6 0.509 0.689 8.892 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -1.078 -1.035 9.768 1.00 4.92 H new ATOM 0 HE3 LYS B 6 0.050 -1.399 11.059 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 -1.658 0.129 11.791 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 -0.141 0.891 11.833 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 -1.233 1.243 10.582 1.00 5.45 H new ATOM 795 N THR B 7 1.536 -3.253 5.779 1.00 3.04 N ATOM 796 CA THR B 7 0.563 -3.627 4.763 1.00 3.03 C ATOM 797 C THR B 7 -0.678 -2.738 4.819 1.00 3.25 C ATOM 798 O THR B 7 -0.738 -1.700 4.159 1.00 3.60 O ATOM 799 CB THR B 7 0.144 -5.098 4.919 1.00 3.68 C ATOM 800 OG1 THR B 7 -0.110 -5.380 6.301 1.00 4.31 O ATOM 801 CG2 THR B 7 1.226 -6.031 4.398 1.00 3.69 C ATOM 0 H THR B 7 1.700 -3.968 6.488 1.00 3.04 H new ATOM 0 HA THR B 7 1.045 -3.491 3.795 1.00 3.03 H new ATOM 0 HB THR B 7 -0.762 -5.262 4.335 1.00 3.68 H new ATOM 0 HG1 THR B 7 0.741 -5.442 6.784 1.00 4.31 H new ATOM 0 HG21 THR B 7 0.904 -7.065 4.520 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.403 -5.828 3.342 1.00 3.69 H new ATOM 0 HG23 THR B 7 2.147 -5.869 4.958 1.00 3.69 H new ATOM 809 N LEU B 8 -1.655 -3.142 5.618 1.00 3.25 N ATOM 810 CA LEU B 8 -2.887 -2.384 5.758 1.00 3.52 C ATOM 811 C LEU B 8 -3.358 -2.398 7.202 1.00 4.35 C ATOM 812 O LEU B 8 -3.352 -1.368 7.874 1.00 4.72 O ATOM 813 CB LEU B 8 -3.975 -2.957 4.845 1.00 3.31 C ATOM 814 CG LEU B 8 -3.760 -2.720 3.347 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.717 -3.572 2.528 1.00 2.63 C ATOM 816 CD2 LEU B 8 -3.943 -1.248 3.007 1.00 2.72 C ATOM 0 H LEU B 8 -1.617 -3.993 6.180 1.00 3.25 H new ATOM 0 HA LEU B 8 -2.690 -1.353 5.464 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -4.046 -4.030 5.020 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -4.933 -2.523 5.131 1.00 3.31 H new ATOM 0 HG LEU B 8 -2.739 -3.010 3.099 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.549 -3.390 1.467 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -4.544 -4.626 2.747 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -5.744 -3.312 2.783 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -3.786 -1.099 1.939 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -4.953 -0.936 3.273 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.221 -0.653 3.566 1.00 2.72 H new ATOM 828 N THR B 9 -3.747 -3.571 7.678 1.00 4.73 N ATOM 829 CA THR B 9 -4.235 -3.726 9.038 1.00 5.55 C ATOM 830 C THR B 9 -3.126 -3.529 10.075 1.00 5.75 C ATOM 831 O THR B 9 -3.118 -2.531 10.798 1.00 6.45 O ATOM 832 CB THR B 9 -4.874 -5.111 9.220 1.00 5.98 C ATOM 833 OG1 THR B 9 -5.142 -5.682 7.931 1.00 5.57 O ATOM 834 CG2 THR B 9 -6.166 -5.012 10.013 1.00 6.63 C ATOM 0 H THR B 9 -3.733 -4.435 7.137 1.00 4.73 H new ATOM 0 HA THR B 9 -4.984 -2.951 9.201 1.00 5.55 H new ATOM 0 HB THR B 9 -4.181 -5.746 9.772 1.00 5.98 H new ATOM 0 HG1 THR B 9 -5.548 -6.567 8.043 1.00 5.57 H new ATOM 0 HG21 THR B 9 -6.599 -6.006 10.128 1.00 6.63 H new ATOM 0 HG22 THR B 9 -5.958 -4.590 10.996 1.00 6.63 H new ATOM 0 HG23 THR B 9 -6.869 -4.369 9.484 1.00 6.63 H new ATOM 842 N GLY B 10 -2.186 -4.467 10.147 1.00 5.22 N ATOM 843 CA GLY B 10 -1.118 -4.345 11.122 1.00 5.46 C ATOM 844 C GLY B 10 0.158 -5.074 10.740 1.00 5.45 C ATOM 845 O GLY B 10 1.210 -4.820 11.329 1.00 5.66 O ATOM 0 H GLY B 10 -2.144 -5.298 9.557 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -0.891 -3.289 11.266 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -1.470 -4.728 12.080 1.00 5.46 H new ATOM 849 N LYS B 11 0.078 -5.976 9.766 1.00 5.32 N ATOM 850 CA LYS B 11 1.248 -6.732 9.332 1.00 5.39 C ATOM 851 C LYS B 11 2.332 -5.790 8.820 1.00 4.77 C ATOM 852 O LYS B 11 2.185 -5.168 7.765 1.00 4.21 O ATOM 853 CB LYS B 11 0.867 -7.740 8.245 1.00 5.58 C ATOM 854 CG LYS B 11 1.987 -8.708 7.898 1.00 5.83 C ATOM 855 CD LYS B 11 1.627 -9.590 6.717 1.00 6.11 C ATOM 856 CE LYS B 11 2.360 -10.923 6.776 1.00 6.82 C ATOM 857 NZ LYS B 11 3.840 -10.758 6.748 1.00 6.90 N ATOM 0 H LYS B 11 -0.781 -6.200 9.264 1.00 5.32 H new ATOM 0 HA LYS B 11 1.638 -7.279 10.190 1.00 5.39 H new ATOM 0 HB2 LYS B 11 -0.004 -8.307 8.575 1.00 5.58 H new ATOM 0 HB3 LYS B 11 0.573 -7.199 7.346 1.00 5.58 H new ATOM 0 HG2 LYS B 11 2.893 -8.147 7.669 1.00 5.83 H new ATOM 0 HG3 LYS B 11 2.208 -9.333 8.763 1.00 5.83 H new ATOM 0 HD2 LYS B 11 0.551 -9.765 6.706 1.00 6.11 H new ATOM 0 HD3 LYS B 11 1.876 -9.077 5.788 1.00 6.11 H new ATOM 0 HE2 LYS B 11 2.073 -11.453 7.685 1.00 6.82 H new ATOM 0 HE3 LYS B 11 2.050 -11.543 5.935 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 4.295 -11.684 6.875 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 4.127 -10.354 5.834 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 4.133 -10.120 7.515 1.00 6.90 H new ATOM 871 N THR B 12 3.403 -5.674 9.586 1.00 4.90 N ATOM 872 CA THR B 12 4.512 -4.808 9.231 1.00 4.39 C ATOM 873 C THR B 12 5.770 -5.627 8.976 1.00 4.49 C ATOM 874 O THR B 12 6.199 -6.405 9.831 1.00 5.01 O ATOM 875 CB THR B 12 4.781 -3.789 10.350 1.00 4.56 C ATOM 876 OG1 THR B 12 3.536 -3.289 10.854 1.00 4.81 O ATOM 877 CG2 THR B 12 5.632 -2.631 9.848 1.00 4.02 C ATOM 0 H THR B 12 3.527 -6.174 10.466 1.00 4.90 H new ATOM 0 HA THR B 12 4.244 -4.274 8.319 1.00 4.39 H new ATOM 0 HB THR B 12 5.328 -4.293 11.147 1.00 4.56 H new ATOM 0 HG1 THR B 12 2.947 -4.040 11.075 1.00 4.81 H new ATOM 0 HG21 THR B 12 5.805 -1.927 10.662 1.00 4.02 H new ATOM 0 HG22 THR B 12 6.588 -3.011 9.488 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.113 -2.124 9.034 1.00 4.02 H new ATOM 885 N ILE B 13 6.352 -5.458 7.803 1.00 4.04 N ATOM 886 CA ILE B 13 7.557 -6.185 7.448 1.00 4.20 C ATOM 887 C ILE B 13 8.762 -5.256 7.454 1.00 3.72 C ATOM 888 O ILE B 13 8.637 -4.062 7.176 1.00 3.18 O ATOM 889 CB ILE B 13 7.430 -6.857 6.062 1.00 4.30 C ATOM 890 CG1 ILE B 13 7.323 -5.808 4.951 1.00 3.68 C ATOM 891 CG2 ILE B 13 6.219 -7.774 6.038 1.00 4.88 C ATOM 892 CD1 ILE B 13 7.522 -6.365 3.559 1.00 3.94 C ATOM 0 H ILE B 13 6.010 -4.824 7.080 1.00 4.04 H new ATOM 0 HA ILE B 13 7.696 -6.966 8.196 1.00 4.20 H new ATOM 0 HB ILE B 13 8.329 -7.448 5.884 1.00 4.30 H new ATOM 0 HG12 ILE B 13 6.343 -5.335 5.005 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.064 -5.028 5.129 1.00 3.68 H new ATOM 0 HG21 ILE B 13 6.137 -8.243 5.058 1.00 4.88 H new ATOM 0 HG22 ILE B 13 6.331 -8.544 6.801 1.00 4.88 H new ATOM 0 HG23 ILE B 13 5.319 -7.193 6.238 1.00 4.88 H new ATOM 0 HD11 ILE B 13 7.431 -5.561 2.829 1.00 3.94 H new ATOM 0 HD12 ILE B 13 8.513 -6.813 3.484 1.00 3.94 H new ATOM 0 HD13 ILE B 13 6.765 -7.124 3.359 1.00 3.94 H new ATOM 904 N THR B 14 9.916 -5.796 7.796 1.00 3.98 N ATOM 905 CA THR B 14 11.137 -5.017 7.824 1.00 3.64 C ATOM 906 C THR B 14 11.928 -5.262 6.546 1.00 3.52 C ATOM 907 O THR B 14 12.070 -6.406 6.106 1.00 3.96 O ATOM 908 CB THR B 14 11.989 -5.378 9.052 1.00 4.07 C ATOM 909 OG1 THR B 14 11.416 -6.511 9.721 1.00 4.66 O ATOM 910 CG2 THR B 14 12.065 -4.206 10.015 1.00 4.07 C ATOM 0 H THR B 14 10.033 -6.775 8.059 1.00 3.98 H new ATOM 0 HA THR B 14 10.876 -3.961 7.892 1.00 3.64 H new ATOM 0 HB THR B 14 12.997 -5.620 8.715 1.00 4.07 H new ATOM 0 HG1 THR B 14 11.962 -6.740 10.502 1.00 4.66 H new ATOM 0 HG21 THR B 14 12.672 -4.482 10.877 1.00 4.07 H new ATOM 0 HG22 THR B 14 12.516 -3.351 9.512 1.00 4.07 H new ATOM 0 HG23 THR B 14 11.061 -3.943 10.348 1.00 4.07 H new ATOM 918 N LEU B 15 12.423 -4.197 5.936 1.00 3.09 N ATOM 919 CA LEU B 15 13.172 -4.331 4.698 1.00 3.19 C ATOM 920 C LEU B 15 14.434 -3.482 4.720 1.00 3.10 C ATOM 921 O LEU B 15 14.394 -2.299 5.055 1.00 2.80 O ATOM 922 CB LEU B 15 12.295 -3.929 3.512 1.00 3.02 C ATOM 923 CG LEU B 15 12.613 -4.638 2.200 1.00 3.52 C ATOM 924 CD1 LEU B 15 12.288 -6.118 2.301 1.00 4.02 C ATOM 925 CD2 LEU B 15 11.841 -3.997 1.059 1.00 3.47 C ATOM 0 H LEU B 15 12.321 -3.240 6.274 1.00 3.09 H new ATOM 0 HA LEU B 15 13.469 -5.375 4.594 1.00 3.19 H new ATOM 0 HB2 LEU B 15 11.254 -4.123 3.768 1.00 3.02 H new ATOM 0 HB3 LEU B 15 12.390 -2.854 3.358 1.00 3.02 H new ATOM 0 HG LEU B 15 13.679 -4.537 1.998 1.00 3.52 H new ATOM 0 HD11 LEU B 15 12.521 -6.607 1.355 1.00 4.02 H new ATOM 0 HD12 LEU B 15 12.881 -6.567 3.098 1.00 4.02 H new ATOM 0 HD13 LEU B 15 11.228 -6.243 2.522 1.00 4.02 H new ATOM 0 HD21 LEU B 15 12.076 -4.511 0.127 1.00 3.47 H new ATOM 0 HD22 LEU B 15 10.772 -4.072 1.256 1.00 3.47 H new ATOM 0 HD23 LEU B 15 12.121 -2.947 0.975 1.00 3.47 H new ATOM 937 N GLU B 16 15.553 -4.099 4.376 1.00 3.49 N ATOM 938 CA GLU B 16 16.824 -3.400 4.334 1.00 3.55 C ATOM 939 C GLU B 16 17.097 -2.927 2.913 1.00 3.81 C ATOM 940 O GLU B 16 17.443 -3.719 2.032 1.00 4.27 O ATOM 941 CB GLU B 16 17.953 -4.301 4.829 1.00 3.90 C ATOM 942 CG GLU B 16 17.756 -4.783 6.256 1.00 3.90 C ATOM 943 CD GLU B 16 19.015 -5.378 6.846 1.00 4.28 C ATOM 944 OE1 GLU B 16 19.354 -6.530 6.503 1.00 4.63 O ATOM 945 OE2 GLU B 16 19.671 -4.697 7.659 1.00 4.35 O ATOM 0 H GLU B 16 15.605 -5.085 4.121 1.00 3.49 H new ATOM 0 HA GLU B 16 16.775 -2.534 4.994 1.00 3.55 H new ATOM 0 HB2 GLU B 16 18.035 -5.165 4.169 1.00 3.90 H new ATOM 0 HB3 GLU B 16 18.896 -3.759 4.763 1.00 3.90 H new ATOM 0 HG2 GLU B 16 17.428 -3.949 6.876 1.00 3.90 H new ATOM 0 HG3 GLU B 16 16.961 -5.528 6.278 1.00 3.90 H new ATOM 952 N VAL B 17 16.910 -1.636 2.695 1.00 3.69 N ATOM 953 CA VAL B 17 17.113 -1.037 1.387 1.00 4.13 C ATOM 954 C VAL B 17 18.023 0.176 1.485 1.00 4.32 C ATOM 955 O VAL B 17 18.199 0.745 2.561 1.00 4.09 O ATOM 956 CB VAL B 17 15.775 -0.597 0.749 1.00 4.08 C ATOM 957 CG1 VAL B 17 14.952 -1.800 0.323 1.00 4.20 C ATOM 958 CG2 VAL B 17 14.983 0.279 1.710 1.00 3.58 C ATOM 0 H VAL B 17 16.615 -0.977 3.415 1.00 3.69 H new ATOM 0 HA VAL B 17 17.575 -1.799 0.759 1.00 4.13 H new ATOM 0 HB VAL B 17 16.005 -0.012 -0.142 1.00 4.08 H new ATOM 0 HG11 VAL B 17 14.016 -1.462 -0.122 1.00 4.20 H new ATOM 0 HG12 VAL B 17 15.512 -2.383 -0.408 1.00 4.20 H new ATOM 0 HG13 VAL B 17 14.736 -2.420 1.193 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.045 0.578 1.241 1.00 3.58 H new ATOM 0 HG22 VAL B 17 14.771 -0.280 2.622 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.565 1.167 1.956 1.00 3.58 H new ATOM 968 N GLU B 18 18.601 0.560 0.362 1.00 4.88 N ATOM 969 CA GLU B 18 19.470 1.717 0.310 1.00 5.24 C ATOM 970 C GLU B 18 18.736 2.852 -0.393 1.00 5.46 C ATOM 971 O GLU B 18 17.892 2.601 -1.250 1.00 5.46 O ATOM 972 CB GLU B 18 20.772 1.374 -0.418 1.00 5.81 C ATOM 973 CG GLU B 18 21.693 0.468 0.386 1.00 5.71 C ATOM 974 CD GLU B 18 22.192 1.124 1.658 1.00 5.42 C ATOM 975 OE1 GLU B 18 23.236 1.810 1.608 1.00 5.63 O ATOM 976 OE2 GLU B 18 21.548 0.954 2.715 1.00 5.09 O ATOM 0 H GLU B 18 18.482 0.082 -0.531 1.00 4.88 H new ATOM 0 HA GLU B 18 19.730 2.029 1.322 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.533 0.889 -1.365 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.300 2.297 -0.657 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.163 -0.450 0.639 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.546 0.184 -0.231 1.00 5.71 H new ATOM 983 N PRO B 19 19.043 4.113 -0.053 1.00 5.75 N ATOM 984 CA PRO B 19 18.378 5.280 -0.654 1.00 6.08 C ATOM 985 C PRO B 19 18.503 5.331 -2.181 1.00 6.61 C ATOM 986 O PRO B 19 17.732 6.021 -2.851 1.00 6.79 O ATOM 987 CB PRO B 19 19.105 6.472 -0.026 1.00 6.47 C ATOM 988 CG PRO B 19 19.709 5.944 1.226 1.00 6.13 C ATOM 989 CD PRO B 19 20.053 4.512 0.944 1.00 5.84 C ATOM 0 HA PRO B 19 17.305 5.260 -0.465 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.869 6.865 -0.697 1.00 6.47 H new ATOM 0 HB3 PRO B 19 18.414 7.289 0.184 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.598 6.512 1.501 1.00 6.13 H new ATOM 0 HG3 PRO B 19 19.011 6.021 2.059 1.00 6.13 H new ATOM 0 HD2 PRO B 19 21.066 4.410 0.554 1.00 5.84 H new ATOM 0 HD3 PRO B 19 19.995 3.899 1.844 1.00 5.84 H new ATOM 997 N SER B 20 19.470 4.602 -2.724 1.00 6.88 N ATOM 998 CA SER B 20 19.698 4.575 -4.162 1.00 7.46 C ATOM 999 C SER B 20 18.952 3.416 -4.835 1.00 7.30 C ATOM 1000 O SER B 20 19.008 3.258 -6.057 1.00 7.78 O ATOM 1001 CB SER B 20 21.198 4.463 -4.429 1.00 7.90 C ATOM 1002 OG SER B 20 21.908 4.239 -3.218 1.00 7.58 O ATOM 0 H SER B 20 20.112 4.019 -2.186 1.00 6.88 H new ATOM 0 HA SER B 20 19.311 5.500 -4.589 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.389 3.646 -5.125 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.557 5.376 -4.904 1.00 7.90 H new ATOM 0 HG SER B 20 22.867 4.168 -3.409 1.00 7.58 H new ATOM 1008 N ASP B 21 18.248 2.617 -4.040 1.00 6.67 N ATOM 1009 CA ASP B 21 17.503 1.474 -4.566 1.00 6.54 C ATOM 1010 C ASP B 21 16.239 1.931 -5.286 1.00 6.58 C ATOM 1011 O ASP B 21 15.638 2.950 -4.931 1.00 6.35 O ATOM 1012 CB ASP B 21 17.129 0.496 -3.442 1.00 5.90 C ATOM 1013 CG ASP B 21 18.263 -0.444 -3.072 1.00 6.06 C ATOM 1014 OD1 ASP B 21 19.104 -0.748 -3.945 1.00 6.52 O ATOM 1015 OD2 ASP B 21 18.318 -0.889 -1.903 1.00 5.79 O ATOM 0 H ASP B 21 18.176 2.738 -3.030 1.00 6.67 H new ATOM 0 HA ASP B 21 18.150 0.962 -5.278 1.00 6.54 H new ATOM 0 HB2 ASP B 21 16.831 1.062 -2.559 1.00 5.90 H new ATOM 0 HB3 ASP B 21 16.264 -0.091 -3.751 1.00 5.90 H new ATOM 1020 N THR B 22 15.849 1.177 -6.307 1.00 6.93 N ATOM 1021 CA THR B 22 14.659 1.480 -7.082 1.00 7.01 C ATOM 1022 C THR B 22 13.434 0.808 -6.470 1.00 6.40 C ATOM 1023 O THR B 22 13.558 -0.224 -5.806 1.00 6.11 O ATOM 1024 CB THR B 22 14.825 1.006 -8.540 1.00 7.68 C ATOM 1025 OG1 THR B 22 15.676 -0.147 -8.587 1.00 7.91 O ATOM 1026 CG2 THR B 22 15.416 2.107 -9.407 1.00 8.28 C ATOM 0 H THR B 22 16.348 0.343 -6.617 1.00 6.93 H new ATOM 0 HA THR B 22 14.519 2.561 -7.070 1.00 7.01 H new ATOM 0 HB THR B 22 13.839 0.750 -8.927 1.00 7.68 H new ATOM 0 HG1 THR B 22 15.775 -0.443 -9.516 1.00 7.91 H new ATOM 0 HG21 THR B 22 15.523 1.747 -10.430 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.755 2.974 -9.395 1.00 8.28 H new ATOM 0 HG23 THR B 22 16.394 2.391 -9.018 1.00 8.28 H new ATOM 1034 N ILE B 23 12.256 1.383 -6.698 1.00 6.25 N ATOM 1035 CA ILE B 23 11.014 0.827 -6.163 1.00 5.69 C ATOM 1036 C ILE B 23 10.799 -0.594 -6.683 1.00 5.85 C ATOM 1037 O ILE B 23 10.295 -1.458 -5.966 1.00 5.45 O ATOM 1038 CB ILE B 23 9.798 1.709 -6.523 1.00 5.64 C ATOM 1039 CG1 ILE B 23 9.990 3.131 -5.979 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.507 1.101 -5.987 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.223 3.192 -4.482 1.00 5.05 C ATOM 0 H ILE B 23 12.134 2.233 -7.249 1.00 6.25 H new ATOM 0 HA ILE B 23 11.105 0.802 -5.077 1.00 5.69 H new ATOM 0 HB ILE B 23 9.722 1.759 -7.609 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.837 3.592 -6.487 1.00 5.64 H new ATOM 0 HG13 ILE B 23 9.109 3.725 -6.224 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.666 1.741 -6.253 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.363 0.112 -6.422 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.568 1.015 -4.902 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.349 4.230 -4.175 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.367 2.762 -3.963 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.121 2.628 -4.230 1.00 5.05 H new ATOM 1053 N GLU B 24 11.207 -0.830 -7.927 1.00 6.53 N ATOM 1054 CA GLU B 24 11.082 -2.151 -8.533 1.00 6.87 C ATOM 1055 C GLU B 24 11.927 -3.160 -7.755 1.00 6.77 C ATOM 1056 O GLU B 24 11.504 -4.292 -7.515 1.00 6.75 O ATOM 1057 CB GLU B 24 11.517 -2.109 -10.000 1.00 7.65 C ATOM 1058 CG GLU B 24 11.391 -3.444 -10.718 1.00 8.08 C ATOM 1059 CD GLU B 24 11.885 -3.384 -12.146 1.00 8.84 C ATOM 1060 OE1 GLU B 24 12.972 -2.814 -12.376 1.00 9.13 O ATOM 1061 OE2 GLU B 24 11.190 -3.897 -13.046 1.00 9.18 O ATOM 0 H GLU B 24 11.626 -0.125 -8.533 1.00 6.53 H new ATOM 0 HA GLU B 24 10.037 -2.460 -8.494 1.00 6.87 H new ATOM 0 HB2 GLU B 24 10.917 -1.367 -10.526 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.554 -1.776 -10.052 1.00 7.65 H new ATOM 0 HG2 GLU B 24 11.956 -4.200 -10.173 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.348 -3.759 -10.711 1.00 8.08 H new ATOM 1068 N ASN B 25 13.117 -2.729 -7.344 1.00 6.77 N ATOM 1069 CA ASN B 25 14.020 -3.576 -6.573 1.00 6.71 C ATOM 1070 C ASN B 25 13.429 -3.832 -5.191 1.00 6.02 C ATOM 1071 O ASN B 25 13.568 -4.919 -4.631 1.00 6.03 O ATOM 1072 CB ASN B 25 15.398 -2.913 -6.451 1.00 6.89 C ATOM 1073 CG ASN B 25 16.444 -3.832 -5.846 1.00 7.03 C ATOM 1074 OD1 ASN B 25 17.002 -4.693 -6.528 1.00 7.36 O ATOM 1075 ND2 ASN B 25 16.737 -3.644 -4.568 1.00 6.86 N ATOM 0 H ASN B 25 13.478 -1.794 -7.534 1.00 6.77 H new ATOM 0 HA ASN B 25 14.142 -4.529 -7.089 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.730 -2.593 -7.439 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.311 -2.016 -5.838 1.00 6.89 H new ATOM 0 HD21 ASN B 25 17.446 -4.222 -4.117 1.00 6.86 H new ATOM 0 HD22 ASN B 25 16.254 -2.921 -4.035 1.00 6.86 H new ATOM 1082 N VAL B 26 12.761 -2.817 -4.651 1.00 5.50 N ATOM 1083 CA VAL B 26 12.118 -2.919 -3.348 1.00 4.81 C ATOM 1084 C VAL B 26 11.023 -3.980 -3.401 1.00 4.82 C ATOM 1085 O VAL B 26 10.909 -4.820 -2.507 1.00 4.68 O ATOM 1086 CB VAL B 26 11.508 -1.566 -2.914 1.00 4.33 C ATOM 1087 CG1 VAL B 26 10.719 -1.709 -1.621 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.598 -0.514 -2.758 1.00 4.48 C ATOM 0 H VAL B 26 12.651 -1.908 -5.101 1.00 5.50 H new ATOM 0 HA VAL B 26 12.875 -3.201 -2.616 1.00 4.81 H new ATOM 0 HB VAL B 26 10.820 -1.242 -3.695 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.302 -0.742 -1.340 1.00 3.62 H new ATOM 0 HG12 VAL B 26 9.910 -2.425 -1.766 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.379 -2.063 -0.829 1.00 3.62 H new ATOM 0 HG21 VAL B 26 12.150 0.431 -2.452 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.312 -0.839 -2.001 1.00 4.48 H new ATOM 0 HG23 VAL B 26 13.114 -0.380 -3.709 1.00 4.48 H new ATOM 1098 N LYS B 27 10.235 -3.941 -4.471 1.00 5.10 N ATOM 1099 CA LYS B 27 9.156 -4.899 -4.676 1.00 5.22 C ATOM 1100 C LYS B 27 9.706 -6.321 -4.727 1.00 5.78 C ATOM 1101 O LYS B 27 9.115 -7.250 -4.171 1.00 5.83 O ATOM 1102 CB LYS B 27 8.417 -4.601 -5.980 1.00 5.53 C ATOM 1103 CG LYS B 27 7.492 -3.398 -5.921 1.00 5.06 C ATOM 1104 CD LYS B 27 6.729 -3.245 -7.226 1.00 5.45 C ATOM 1105 CE LYS B 27 5.665 -2.165 -7.143 1.00 5.06 C ATOM 1106 NZ LYS B 27 4.953 -1.995 -8.439 1.00 5.50 N ATOM 0 H LYS B 27 10.326 -3.249 -5.215 1.00 5.10 H new ATOM 0 HA LYS B 27 8.463 -4.809 -3.839 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.151 -4.440 -6.770 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.834 -5.478 -6.261 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.790 -3.512 -5.095 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.072 -2.496 -5.725 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.427 -3.004 -8.028 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.261 -4.195 -7.485 1.00 5.45 H new ATOM 0 HE2 LYS B 27 4.947 -2.420 -6.364 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.126 -1.221 -6.854 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 4.638 -1.009 -8.535 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.596 -2.231 -9.222 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.127 -2.626 -8.467 1.00 5.50 H new ATOM 1120 N ALA B 28 10.845 -6.473 -5.398 1.00 6.27 N ATOM 1121 CA ALA B 28 11.495 -7.767 -5.530 1.00 6.84 C ATOM 1122 C ALA B 28 11.880 -8.317 -4.162 1.00 6.63 C ATOM 1123 O ALA B 28 11.665 -9.498 -3.878 1.00 6.99 O ATOM 1124 CB ALA B 28 12.715 -7.657 -6.429 1.00 7.35 C ATOM 0 H ALA B 28 11.337 -5.708 -5.860 1.00 6.27 H new ATOM 0 HA ALA B 28 10.792 -8.462 -5.989 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.191 -8.634 -6.518 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.409 -7.311 -7.416 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.421 -6.947 -5.998 1.00 7.35 H new ATOM 1130 N LYS B 29 12.435 -7.450 -3.318 1.00 6.10 N ATOM 1131 CA LYS B 29 12.835 -7.834 -1.967 1.00 5.90 C ATOM 1132 C LYS B 29 11.623 -8.316 -1.177 1.00 5.68 C ATOM 1133 O LYS B 29 11.692 -9.307 -0.445 1.00 5.96 O ATOM 1134 CB LYS B 29 13.482 -6.652 -1.240 1.00 5.38 C ATOM 1135 CG LYS B 29 14.880 -6.309 -1.729 1.00 5.69 C ATOM 1136 CD LYS B 29 15.370 -5.006 -1.125 1.00 5.31 C ATOM 1137 CE LYS B 29 16.867 -4.814 -1.337 1.00 5.69 C ATOM 1138 NZ LYS B 29 17.675 -5.468 -0.273 1.00 5.63 N ATOM 0 H LYS B 29 12.618 -6.473 -3.548 1.00 6.10 H new ATOM 0 HA LYS B 29 13.562 -8.643 -2.043 1.00 5.90 H new ATOM 0 HB2 LYS B 29 12.844 -5.776 -1.355 1.00 5.38 H new ATOM 0 HB3 LYS B 29 13.527 -6.876 -0.174 1.00 5.38 H new ATOM 0 HG2 LYS B 29 15.567 -7.114 -1.468 1.00 5.69 H new ATOM 0 HG3 LYS B 29 14.879 -6.231 -2.816 1.00 5.69 H new ATOM 0 HD2 LYS B 29 14.829 -4.172 -1.572 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.149 -4.994 -0.058 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.150 -5.222 -2.308 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.095 -3.748 -1.360 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 18.659 -5.565 -0.595 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 17.649 -4.887 0.589 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.283 -6.409 -0.069 1.00 5.63 H new ATOM 1152 N ILE B 30 10.508 -7.614 -1.341 1.00 5.27 N ATOM 1153 CA ILE B 30 9.275 -7.972 -0.658 1.00 5.11 C ATOM 1154 C ILE B 30 8.773 -9.323 -1.152 1.00 5.80 C ATOM 1155 O ILE B 30 8.376 -10.172 -0.363 1.00 6.03 O ATOM 1156 CB ILE B 30 8.183 -6.899 -0.862 1.00 4.53 C ATOM 1157 CG1 ILE B 30 8.642 -5.568 -0.263 1.00 3.87 C ATOM 1158 CG2 ILE B 30 6.862 -7.342 -0.243 1.00 4.48 C ATOM 1159 CD1 ILE B 30 7.691 -4.420 -0.518 1.00 3.34 C ATOM 0 H ILE B 30 10.434 -6.793 -1.942 1.00 5.27 H new ATOM 0 HA ILE B 30 9.492 -8.034 0.408 1.00 5.11 H new ATOM 0 HB ILE B 30 8.021 -6.766 -1.932 1.00 4.53 H new ATOM 0 HG12 ILE B 30 8.769 -5.690 0.813 1.00 3.87 H new ATOM 0 HG13 ILE B 30 9.620 -5.315 -0.673 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.109 -6.569 -0.400 1.00 4.48 H new ATOM 0 HG22 ILE B 30 6.533 -8.269 -0.712 1.00 4.48 H new ATOM 0 HG23 ILE B 30 6.998 -7.504 0.826 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.086 -3.512 -0.062 1.00 3.34 H new ATOM 0 HD12 ILE B 30 7.582 -4.269 -1.592 1.00 3.34 H new ATOM 0 HD13 ILE B 30 6.718 -4.650 -0.084 1.00 3.34 H new ATOM 1171 N GLN B 31 8.825 -9.530 -2.460 1.00 6.20 N ATOM 1172 CA GLN B 31 8.376 -10.786 -3.054 1.00 6.89 C ATOM 1173 C GLN B 31 9.240 -11.956 -2.590 1.00 7.42 C ATOM 1174 O GLN B 31 8.776 -13.090 -2.505 1.00 7.92 O ATOM 1175 CB GLN B 31 8.410 -10.698 -4.581 1.00 7.24 C ATOM 1176 CG GLN B 31 7.912 -11.959 -5.269 1.00 7.96 C ATOM 1177 CD GLN B 31 8.264 -12.007 -6.741 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.284 -11.461 -7.168 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.423 -12.659 -7.525 1.00 8.89 N ATOM 0 H GLN B 31 9.173 -8.846 -3.132 1.00 6.20 H new ATOM 0 HA GLN B 31 7.351 -10.959 -2.725 1.00 6.89 H new ATOM 0 HB2 GLN B 31 7.801 -9.853 -4.903 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.431 -10.496 -4.903 1.00 7.24 H new ATOM 0 HG2 GLN B 31 8.337 -12.830 -4.771 1.00 7.96 H new ATOM 0 HG3 GLN B 31 6.830 -12.024 -5.157 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.591 -13.096 -7.129 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.606 -12.725 -8.526 1.00 8.89 H new ATOM 1188 N ASP B 32 10.495 -11.671 -2.280 1.00 7.32 N ATOM 1189 CA ASP B 32 11.430 -12.702 -1.845 1.00 7.80 C ATOM 1190 C ASP B 32 11.067 -13.255 -0.466 1.00 7.78 C ATOM 1191 O ASP B 32 11.043 -14.467 -0.265 1.00 8.36 O ATOM 1192 CB ASP B 32 12.854 -12.143 -1.820 1.00 7.68 C ATOM 1193 CG ASP B 32 13.912 -13.231 -1.807 1.00 8.20 C ATOM 1194 OD1 ASP B 32 14.210 -13.773 -0.720 1.00 8.05 O ATOM 1195 OD2 ASP B 32 14.465 -13.534 -2.883 1.00 8.79 O ATOM 0 H ASP B 32 10.892 -10.732 -2.321 1.00 7.32 H new ATOM 0 HA ASP B 32 11.370 -13.522 -2.560 1.00 7.80 H new ATOM 0 HB2 ASP B 32 13.005 -11.506 -2.692 1.00 7.68 H new ATOM 0 HB3 ASP B 32 12.977 -11.513 -0.939 1.00 7.68 H new ATOM 1200 N LYS B 33 10.758 -12.370 0.474 1.00 7.19 N ATOM 1201 CA LYS B 33 10.442 -12.799 1.837 1.00 7.24 C ATOM 1202 C LYS B 33 8.940 -12.912 2.112 1.00 7.31 C ATOM 1203 O LYS B 33 8.533 -13.620 3.031 1.00 7.78 O ATOM 1204 CB LYS B 33 11.081 -11.848 2.855 1.00 6.67 C ATOM 1205 CG LYS B 33 10.806 -10.375 2.587 1.00 5.91 C ATOM 1206 CD LYS B 33 11.089 -9.516 3.812 1.00 5.41 C ATOM 1207 CE LYS B 33 12.552 -9.581 4.228 1.00 5.44 C ATOM 1208 NZ LYS B 33 12.772 -9.014 5.584 1.00 5.21 N ATOM 0 H LYS B 33 10.719 -11.362 0.324 1.00 7.19 H new ATOM 0 HA LYS B 33 10.857 -13.801 1.941 1.00 7.24 H new ATOM 0 HB2 LYS B 33 10.715 -12.100 3.851 1.00 6.67 H new ATOM 0 HB3 LYS B 33 12.159 -12.010 2.861 1.00 6.67 H new ATOM 0 HG2 LYS B 33 11.422 -10.036 1.755 1.00 5.91 H new ATOM 0 HG3 LYS B 33 9.766 -10.248 2.286 1.00 5.91 H new ATOM 0 HD2 LYS B 33 10.818 -8.482 3.600 1.00 5.41 H new ATOM 0 HD3 LYS B 33 10.462 -9.847 4.640 1.00 5.41 H new ATOM 0 HE2 LYS B 33 12.888 -10.618 4.210 1.00 5.44 H new ATOM 0 HE3 LYS B 33 13.159 -9.036 3.505 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 13.781 -9.078 5.828 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 12.476 -8.017 5.596 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 12.213 -9.549 6.279 1.00 5.21 H new ATOM 1222 N GLU B 34 8.120 -12.222 1.335 1.00 6.89 N ATOM 1223 CA GLU B 34 6.674 -12.258 1.550 1.00 6.93 C ATOM 1224 C GLU B 34 5.956 -13.079 0.483 1.00 7.47 C ATOM 1225 O GLU B 34 4.834 -13.535 0.698 1.00 7.85 O ATOM 1226 CB GLU B 34 6.111 -10.839 1.584 1.00 6.19 C ATOM 1227 CG GLU B 34 6.542 -10.048 2.806 1.00 5.76 C ATOM 1228 CD GLU B 34 5.974 -10.610 4.091 1.00 6.20 C ATOM 1229 OE1 GLU B 34 4.755 -10.467 4.316 1.00 6.35 O ATOM 1230 OE2 GLU B 34 6.739 -11.197 4.884 1.00 6.48 O ATOM 0 H GLU B 34 8.422 -11.635 0.557 1.00 6.89 H new ATOM 0 HA GLU B 34 6.500 -12.743 2.511 1.00 6.93 H new ATOM 0 HB2 GLU B 34 6.429 -10.308 0.686 1.00 6.19 H new ATOM 0 HB3 GLU B 34 5.022 -10.887 1.557 1.00 6.19 H new ATOM 0 HG2 GLU B 34 7.630 -10.042 2.866 1.00 5.76 H new ATOM 0 HG3 GLU B 34 6.224 -9.012 2.695 1.00 5.76 H new ATOM 1237 N GLY B 35 6.588 -13.248 -0.672 1.00 7.55 N ATOM 1238 CA GLY B 35 5.984 -14.025 -1.744 1.00 8.09 C ATOM 1239 C GLY B 35 4.934 -13.256 -2.527 1.00 7.80 C ATOM 1240 O GLY B 35 4.366 -13.777 -3.485 1.00 8.21 O ATOM 0 H GLY B 35 7.507 -12.862 -0.888 1.00 7.55 H new ATOM 0 HA2 GLY B 35 6.766 -14.357 -2.427 1.00 8.09 H new ATOM 0 HA3 GLY B 35 5.528 -14.921 -1.322 1.00 8.09 H new ATOM 1244 N ILE B 36 4.681 -12.017 -2.127 1.00 7.10 N ATOM 1245 CA ILE B 36 3.686 -11.183 -2.790 1.00 6.77 C ATOM 1246 C ILE B 36 4.198 -10.705 -4.148 1.00 6.83 C ATOM 1247 O ILE B 36 5.231 -10.042 -4.225 1.00 6.60 O ATOM 1248 CB ILE B 36 3.320 -9.953 -1.928 1.00 5.99 C ATOM 1249 CG1 ILE B 36 2.917 -10.392 -0.516 1.00 6.04 C ATOM 1250 CG2 ILE B 36 2.196 -9.152 -2.581 1.00 5.67 C ATOM 1251 CD1 ILE B 36 2.883 -9.261 0.490 1.00 5.35 C ATOM 0 H ILE B 36 5.153 -11.565 -1.344 1.00 7.10 H new ATOM 0 HA ILE B 36 2.795 -11.795 -2.931 1.00 6.77 H new ATOM 0 HB ILE B 36 4.198 -9.311 -1.854 1.00 5.99 H new ATOM 0 HG12 ILE B 36 1.933 -10.858 -0.558 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.616 -11.153 -0.169 1.00 6.04 H new ATOM 0 HG21 ILE B 36 1.954 -8.291 -1.958 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.517 -8.810 -3.565 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.314 -9.783 -2.687 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.590 -9.650 1.465 1.00 5.35 H new ATOM 0 HD12 ILE B 36 3.872 -8.809 0.562 1.00 5.35 H new ATOM 0 HD13 ILE B 36 2.163 -8.509 0.168 1.00 5.35 H new ATOM 1263 N PRO B 37 3.488 -11.048 -5.238 1.00 7.22 N ATOM 1264 CA PRO B 37 3.874 -10.639 -6.593 1.00 7.44 C ATOM 1265 C PRO B 37 3.934 -9.119 -6.731 1.00 6.84 C ATOM 1266 O PRO B 37 3.021 -8.419 -6.292 1.00 6.32 O ATOM 1267 CB PRO B 37 2.760 -11.206 -7.482 1.00 7.86 C ATOM 1268 CG PRO B 37 2.122 -12.283 -6.673 1.00 8.10 C ATOM 1269 CD PRO B 37 2.261 -11.864 -5.236 1.00 7.57 C ATOM 0 HA PRO B 37 4.867 -11.001 -6.858 1.00 7.44 H new ATOM 0 HB2 PRO B 37 2.038 -10.434 -7.749 1.00 7.86 H new ATOM 0 HB3 PRO B 37 3.163 -11.601 -8.414 1.00 7.86 H new ATOM 0 HG2 PRO B 37 1.073 -12.404 -6.944 1.00 8.10 H new ATOM 0 HG3 PRO B 37 2.609 -13.242 -6.848 1.00 8.10 H new ATOM 0 HD2 PRO B 37 1.397 -11.291 -4.899 1.00 7.57 H new ATOM 0 HD3 PRO B 37 2.351 -12.724 -4.573 1.00 7.57 H new ATOM 1277 N PRO B 38 5.007 -8.589 -7.349 1.00 6.95 N ATOM 1278 CA PRO B 38 5.188 -7.142 -7.539 1.00 6.54 C ATOM 1279 C PRO B 38 4.039 -6.507 -8.323 1.00 6.45 C ATOM 1280 O PRO B 38 3.785 -5.305 -8.208 1.00 5.97 O ATOM 1281 CB PRO B 38 6.502 -7.032 -8.321 1.00 7.04 C ATOM 1282 CG PRO B 38 6.751 -8.393 -8.875 1.00 7.43 C ATOM 1283 CD PRO B 38 6.132 -9.356 -7.905 1.00 7.57 C ATOM 0 HA PRO B 38 5.207 -6.612 -6.587 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.424 -6.292 -9.118 1.00 7.04 H new ATOM 0 HB3 PRO B 38 7.319 -6.717 -7.672 1.00 7.04 H new ATOM 0 HG2 PRO B 38 6.308 -8.498 -9.865 1.00 7.43 H new ATOM 0 HG3 PRO B 38 7.819 -8.581 -8.983 1.00 7.43 H new ATOM 0 HD2 PRO B 38 5.794 -10.266 -8.400 1.00 7.57 H new ATOM 0 HD3 PRO B 38 6.837 -9.657 -7.130 1.00 7.57 H new ATOM 1291 N ASP B 39 3.349 -7.325 -9.110 1.00 6.95 N ATOM 1292 CA ASP B 39 2.208 -6.874 -9.904 1.00 6.96 C ATOM 1293 C ASP B 39 1.045 -6.466 -8.997 1.00 6.32 C ATOM 1294 O ASP B 39 0.282 -5.551 -9.311 1.00 6.07 O ATOM 1295 CB ASP B 39 1.766 -7.994 -10.853 1.00 7.65 C ATOM 1296 CG ASP B 39 0.398 -7.756 -11.462 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.316 -7.069 -12.500 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.597 -8.275 -10.914 1.00 7.79 O ATOM 0 H ASP B 39 3.563 -8.317 -9.217 1.00 6.95 H new ATOM 0 HA ASP B 39 2.509 -6.003 -10.487 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.500 -8.095 -11.653 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.755 -8.939 -10.309 1.00 7.65 H new ATOM 1303 N GLN B 40 0.937 -7.137 -7.858 1.00 6.12 N ATOM 1304 CA GLN B 40 -0.126 -6.867 -6.898 1.00 5.59 C ATOM 1305 C GLN B 40 0.363 -5.929 -5.800 1.00 4.88 C ATOM 1306 O GLN B 40 -0.378 -5.596 -4.876 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.620 -8.178 -6.286 1.00 5.92 C ATOM 1308 CG GLN B 40 -1.323 -9.083 -7.285 1.00 6.60 C ATOM 1309 CD GLN B 40 -1.321 -10.542 -6.867 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -1.325 -11.439 -7.711 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -1.313 -10.790 -5.567 1.00 6.80 N ATOM 0 H GLN B 40 1.578 -7.878 -7.575 1.00 6.12 H new ATOM 0 HA GLN B 40 -0.950 -6.382 -7.422 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.228 -8.712 -5.857 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -1.303 -7.953 -5.467 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -2.353 -8.748 -7.409 1.00 6.60 H new ATOM 0 HG3 GLN B 40 -0.838 -8.988 -8.257 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.310 -10.018 -4.901 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -1.310 -11.753 -5.232 1.00 6.80 H new ATOM 1320 N GLN B 41 1.612 -5.504 -5.910 1.00 4.86 N ATOM 1321 CA GLN B 41 2.200 -4.606 -4.928 1.00 4.24 C ATOM 1322 C GLN B 41 1.976 -3.152 -5.319 1.00 3.92 C ATOM 1323 O GLN B 41 2.430 -2.708 -6.374 1.00 4.35 O ATOM 1324 CB GLN B 41 3.702 -4.857 -4.793 1.00 4.48 C ATOM 1325 CG GLN B 41 4.068 -6.181 -4.140 1.00 4.79 C ATOM 1326 CD GLN B 41 5.546 -6.259 -3.814 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.174 -5.250 -3.502 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.118 -7.447 -3.901 1.00 5.46 N ATOM 0 H GLN B 41 2.239 -5.767 -6.670 1.00 4.86 H new ATOM 0 HA GLN B 41 1.712 -4.803 -3.973 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.154 -4.819 -5.784 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.141 -4.047 -4.211 1.00 4.48 H new ATOM 0 HG2 GLN B 41 3.487 -6.308 -3.226 1.00 4.79 H new ATOM 0 HG3 GLN B 41 3.799 -7.001 -4.806 1.00 4.79 H new ATOM 0 HE21 GLN B 41 5.564 -8.262 -4.163 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.114 -7.549 -3.706 1.00 5.46 H new ATOM 1337 N ARG B 42 1.265 -2.420 -4.480 1.00 3.29 N ATOM 1338 CA ARG B 42 1.010 -1.010 -4.724 1.00 3.09 C ATOM 1339 C ARG B 42 1.428 -0.206 -3.499 1.00 2.49 C ATOM 1340 O ARG B 42 0.590 0.209 -2.695 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.467 -0.766 -5.048 1.00 2.97 C ATOM 1342 CG ARG B 42 -0.715 0.539 -5.790 1.00 3.22 C ATOM 1343 CD ARG B 42 -2.066 1.134 -5.435 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.146 1.494 -4.021 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.283 1.720 -3.362 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.454 1.613 -3.984 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.247 2.054 -2.080 1.00 3.59 N ATOM 0 H ARG B 42 0.852 -2.780 -3.620 1.00 3.29 H new ATOM 0 HA ARG B 42 1.594 -0.689 -5.587 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -0.841 -1.594 -5.650 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -1.039 -0.762 -4.120 1.00 2.97 H new ATOM 0 HG2 ARG B 42 0.073 1.252 -5.547 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.665 0.363 -6.865 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.245 2.019 -6.046 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -2.852 0.418 -5.673 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.272 1.578 -3.502 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.486 1.357 -4.971 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.320 1.787 -3.474 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.351 2.138 -1.600 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.115 2.227 -1.574 1.00 3.59 H new ATOM 1361 N LEU B 43 2.734 -0.016 -3.353 1.00 2.72 N ATOM 1362 CA LEU B 43 3.286 0.721 -2.222 1.00 2.34 C ATOM 1363 C LEU B 43 2.945 2.202 -2.318 1.00 2.51 C ATOM 1364 O LEU B 43 3.147 2.834 -3.360 1.00 3.16 O ATOM 1365 CB LEU B 43 4.806 0.546 -2.143 1.00 2.69 C ATOM 1366 CG LEU B 43 5.283 -0.857 -1.766 1.00 2.62 C ATOM 1367 CD1 LEU B 43 5.668 -1.647 -3.005 1.00 3.19 C ATOM 1368 CD2 LEU B 43 6.452 -0.771 -0.798 1.00 2.03 C ATOM 0 H LEU B 43 3.434 -0.364 -4.008 1.00 2.72 H new ATOM 0 HA LEU B 43 2.837 0.314 -1.316 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.236 0.811 -3.109 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.199 1.254 -1.414 1.00 2.69 H new ATOM 0 HG LEU B 43 4.463 -1.381 -1.275 1.00 2.62 H new ATOM 0 HD11 LEU B 43 6.004 -2.642 -2.712 1.00 3.19 H new ATOM 0 HD12 LEU B 43 4.804 -1.735 -3.663 1.00 3.19 H new ATOM 0 HD13 LEU B 43 6.473 -1.132 -3.530 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.783 -1.776 -0.537 1.00 2.03 H new ATOM 0 HD22 LEU B 43 7.273 -0.229 -1.267 1.00 2.03 H new ATOM 0 HD23 LEU B 43 6.139 -0.246 0.105 1.00 2.03 H new ATOM 1380 N ILE B 44 2.426 2.745 -1.229 1.00 2.10 N ATOM 1381 CA ILE B 44 2.045 4.146 -1.177 1.00 2.55 C ATOM 1382 C ILE B 44 2.751 4.856 -0.029 1.00 2.73 C ATOM 1383 O ILE B 44 2.958 4.280 1.042 1.00 2.37 O ATOM 1384 CB ILE B 44 0.516 4.304 -1.003 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.242 3.548 -2.100 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.116 5.772 -1.008 1.00 3.04 C ATOM 1387 CD1 ILE B 44 -0.023 4.105 -3.494 1.00 2.92 C ATOM 0 H ILE B 44 2.258 2.232 -0.363 1.00 2.10 H new ATOM 0 HA ILE B 44 2.344 4.597 -2.123 1.00 2.55 H new ATOM 0 HB ILE B 44 0.248 3.875 -0.038 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.064 2.502 -2.085 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.308 3.571 -1.873 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -0.964 5.855 -0.884 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.616 6.288 -0.189 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.409 6.226 -1.955 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.592 3.517 -4.214 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.357 5.142 -3.528 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.037 4.056 -3.743 1.00 2.92 H new ATOM 1399 N PHE B 45 3.135 6.100 -0.271 1.00 3.41 N ATOM 1400 CA PHE B 45 3.797 6.912 0.732 1.00 3.75 C ATOM 1401 C PHE B 45 2.940 8.145 1.017 1.00 4.37 C ATOM 1402 O PHE B 45 3.231 9.246 0.540 1.00 4.85 O ATOM 1403 CB PHE B 45 5.198 7.313 0.249 1.00 3.98 C ATOM 1404 CG PHE B 45 6.103 7.832 1.335 1.00 4.33 C ATOM 1405 CD1 PHE B 45 6.188 7.182 2.557 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.874 8.964 1.127 1.00 5.00 C ATOM 1407 CE1 PHE B 45 7.024 7.654 3.550 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.711 9.440 2.118 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.786 8.784 3.331 1.00 5.14 C ATOM 0 H PHE B 45 2.996 6.571 -1.165 1.00 3.41 H new ATOM 0 HA PHE B 45 3.915 6.341 1.653 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.670 6.449 -0.219 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.099 8.078 -0.521 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.594 6.297 2.734 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.820 9.480 0.180 1.00 5.00 H new ATOM 0 HE1 PHE B 45 7.082 7.139 4.498 1.00 4.54 H new ATOM 0 HE2 PHE B 45 8.306 10.324 1.944 1.00 5.37 H new ATOM 0 HZ PHE B 45 8.440 9.154 4.107 1.00 5.14 H new ATOM 1419 N ALA B 46 1.859 7.927 1.766 1.00 4.47 N ATOM 1420 CA ALA B 46 0.916 8.984 2.131 1.00 5.11 C ATOM 1421 C ALA B 46 0.349 9.667 0.889 1.00 5.25 C ATOM 1422 O ALA B 46 0.554 10.860 0.662 1.00 5.80 O ATOM 1423 CB ALA B 46 1.569 9.998 3.065 1.00 5.68 C ATOM 0 H ALA B 46 1.612 7.010 2.138 1.00 4.47 H new ATOM 0 HA ALA B 46 0.085 8.523 2.665 1.00 5.11 H new ATOM 0 HB1 ALA B 46 0.847 10.774 3.322 1.00 5.68 H new ATOM 0 HB2 ALA B 46 1.900 9.495 3.974 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.427 10.451 2.568 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.358 8.892 0.082 1.00 4.86 N ATOM 1430 CA GLY B 47 -0.944 9.419 -1.135 1.00 5.04 C ATOM 1431 C GLY B 47 -0.033 9.240 -2.333 1.00 5.20 C ATOM 1432 O GLY B 47 -0.466 8.780 -3.388 1.00 5.50 O ATOM 0 H GLY B 47 -0.538 7.902 0.248 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -1.894 8.919 -1.325 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.162 10.479 -1.002 1.00 5.04 H new ATOM 1436 N LYS B 48 1.235 9.587 -2.155 1.00 5.13 N ATOM 1437 CA LYS B 48 2.224 9.479 -3.219 1.00 5.44 C ATOM 1438 C LYS B 48 2.480 8.021 -3.589 1.00 4.89 C ATOM 1439 O LYS B 48 2.904 7.223 -2.751 1.00 4.41 O ATOM 1440 CB LYS B 48 3.537 10.134 -2.786 1.00 6.05 C ATOM 1441 CG LYS B 48 3.435 11.636 -2.563 1.00 6.75 C ATOM 1442 CD LYS B 48 4.710 12.191 -1.941 1.00 7.32 C ATOM 1443 CE LYS B 48 4.685 12.093 -0.423 1.00 7.40 C ATOM 1444 NZ LYS B 48 4.056 13.288 0.203 1.00 7.95 N ATOM 0 H LYS B 48 1.605 9.949 -1.276 1.00 5.13 H new ATOM 0 HA LYS B 48 1.830 9.994 -4.095 1.00 5.44 H new ATOM 0 HB2 LYS B 48 3.880 9.663 -1.865 1.00 6.05 H new ATOM 0 HB3 LYS B 48 4.295 9.940 -3.545 1.00 6.05 H new ATOM 0 HG2 LYS B 48 3.244 12.135 -3.513 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.587 11.853 -1.914 1.00 6.75 H new ATOM 0 HD2 LYS B 48 5.571 11.645 -2.327 1.00 7.32 H new ATOM 0 HD3 LYS B 48 4.835 13.233 -2.236 1.00 7.32 H new ATOM 0 HE2 LYS B 48 4.138 11.198 -0.127 1.00 7.40 H new ATOM 0 HE3 LYS B 48 5.703 11.982 -0.050 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 4.059 13.180 1.237 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 4.593 14.140 -0.058 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 3.076 13.380 -0.132 1.00 7.95 H new ATOM 1458 N GLN B 49 2.214 7.677 -4.841 1.00 5.05 N ATOM 1459 CA GLN B 49 2.428 6.323 -5.322 1.00 4.73 C ATOM 1460 C GLN B 49 3.891 6.127 -5.688 1.00 5.12 C ATOM 1461 O GLN B 49 4.500 7.000 -6.307 1.00 5.81 O ATOM 1462 CB GLN B 49 1.556 6.035 -6.543 1.00 4.93 C ATOM 1463 CG GLN B 49 1.407 4.551 -6.842 1.00 4.85 C ATOM 1464 CD GLN B 49 0.942 4.272 -8.259 1.00 5.12 C ATOM 1465 OE1 GLN B 49 0.233 5.217 -8.854 1.00 5.27 O flip ATOM 1466 NE2 GLN B 49 1.228 3.216 -8.821 1.00 5.36 N flip ATOM 0 H GLN B 49 1.848 8.321 -5.543 1.00 5.05 H new ATOM 0 HA GLN B 49 2.154 5.632 -4.525 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.568 6.467 -6.385 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.986 6.532 -7.413 1.00 4.93 H new ATOM 0 HG2 GLN B 49 2.363 4.055 -6.676 1.00 4.85 H new ATOM 0 HG3 GLN B 49 0.696 4.115 -6.140 1.00 4.85 H new ATOM 0 HE21 GLN B 49 1.777 2.510 -8.331 1.00 5.36 H new ATOM 0 HE22 GLN B 49 0.916 3.047 -9.777 1.00 5.36 H new ATOM 1475 N LEU B 50 4.449 4.991 -5.299 1.00 4.71 N ATOM 1476 CA LEU B 50 5.840 4.687 -5.595 1.00 5.07 C ATOM 1477 C LEU B 50 5.955 4.021 -6.962 1.00 5.51 C ATOM 1478 O LEU B 50 5.542 2.873 -7.142 1.00 5.29 O ATOM 1479 CB LEU B 50 6.434 3.780 -4.513 1.00 4.53 C ATOM 1480 CG LEU B 50 6.344 4.317 -3.081 1.00 4.10 C ATOM 1481 CD1 LEU B 50 7.097 3.405 -2.128 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.887 5.737 -3.000 1.00 4.69 C ATOM 0 H LEU B 50 3.959 4.264 -4.777 1.00 4.71 H new ATOM 0 HA LEU B 50 6.402 5.621 -5.610 1.00 5.07 H new ATOM 0 HB2 LEU B 50 5.928 2.816 -4.553 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.483 3.600 -4.750 1.00 4.53 H new ATOM 0 HG LEU B 50 5.294 4.338 -2.788 1.00 4.10 H new ATOM 0 HD11 LEU B 50 7.025 3.799 -1.114 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.663 2.406 -2.161 1.00 3.66 H new ATOM 0 HD13 LEU B 50 8.145 3.355 -2.424 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.813 6.097 -1.974 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.931 5.746 -3.313 1.00 4.69 H new ATOM 0 HD23 LEU B 50 6.306 6.386 -3.655 1.00 4.69 H new ATOM 1494 N GLU B 51 6.499 4.753 -7.923 1.00 6.21 N ATOM 1495 CA GLU B 51 6.666 4.245 -9.275 1.00 6.75 C ATOM 1496 C GLU B 51 7.908 3.355 -9.367 1.00 6.81 C ATOM 1497 O GLU B 51 8.980 3.716 -8.884 1.00 6.81 O ATOM 1498 CB GLU B 51 6.761 5.408 -10.260 1.00 7.48 C ATOM 1499 CG GLU B 51 6.683 4.988 -11.717 1.00 8.08 C ATOM 1500 CD GLU B 51 6.752 6.169 -12.658 1.00 8.74 C ATOM 1501 OE1 GLU B 51 5.699 6.775 -12.933 1.00 9.03 O ATOM 1502 OE2 GLU B 51 7.863 6.499 -13.126 1.00 9.08 O ATOM 0 H GLU B 51 6.834 5.707 -7.789 1.00 6.21 H new ATOM 0 HA GLU B 51 5.797 3.639 -9.532 1.00 6.75 H new ATOM 0 HB2 GLU B 51 5.957 6.114 -10.052 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.700 5.936 -10.094 1.00 7.48 H new ATOM 0 HG2 GLU B 51 7.499 4.301 -11.939 1.00 8.08 H new ATOM 0 HG3 GLU B 51 5.754 4.444 -11.887 1.00 8.08 H new ATOM 1509 N ASP B 52 7.742 2.205 -10.009 1.00 6.95 N ATOM 1510 CA ASP B 52 8.805 1.204 -10.173 1.00 7.11 C ATOM 1511 C ASP B 52 10.086 1.775 -10.783 1.00 7.68 C ATOM 1512 O ASP B 52 11.190 1.399 -10.382 1.00 7.65 O ATOM 1513 CB ASP B 52 8.302 0.054 -11.051 1.00 7.41 C ATOM 1514 CG ASP B 52 7.043 -0.592 -10.508 1.00 6.92 C ATOM 1515 OD1 ASP B 52 5.997 0.088 -10.449 1.00 6.71 O ATOM 1516 OD2 ASP B 52 7.086 -1.781 -10.132 1.00 6.84 O ATOM 0 H ASP B 52 6.858 1.932 -10.438 1.00 6.95 H new ATOM 0 HA ASP B 52 9.054 0.851 -9.172 1.00 7.11 H new ATOM 0 HB2 ASP B 52 8.108 0.428 -12.056 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.084 -0.700 -11.137 1.00 7.41 H new ATOM 1521 N GLY B 53 9.941 2.683 -11.742 1.00 8.21 N ATOM 1522 CA GLY B 53 11.100 3.263 -12.401 1.00 8.81 C ATOM 1523 C GLY B 53 11.786 4.354 -11.595 1.00 8.72 C ATOM 1524 O GLY B 53 12.789 4.914 -12.033 1.00 9.22 O ATOM 0 H GLY B 53 9.041 3.029 -12.076 1.00 8.21 H new ATOM 0 HA2 GLY B 53 11.820 2.472 -12.610 1.00 8.81 H new ATOM 0 HA3 GLY B 53 10.791 3.675 -13.362 1.00 8.81 H new ATOM 1528 N ARG B 54 11.267 4.657 -10.417 1.00 8.14 N ATOM 1529 CA ARG B 54 11.856 5.696 -9.585 1.00 8.09 C ATOM 1530 C ARG B 54 12.597 5.083 -8.405 1.00 7.60 C ATOM 1531 O ARG B 54 12.404 3.911 -8.073 1.00 7.21 O ATOM 1532 CB ARG B 54 10.777 6.663 -9.089 1.00 7.88 C ATOM 1533 CG ARG B 54 9.887 7.198 -10.199 1.00 8.41 C ATOM 1534 CD ARG B 54 10.664 8.046 -11.196 1.00 9.15 C ATOM 1535 NE ARG B 54 10.199 7.837 -12.567 1.00 9.64 N ATOM 1536 CZ ARG B 54 10.951 8.030 -13.649 1.00 10.23 C ATOM 1537 NH1 ARG B 54 12.206 8.450 -13.528 1.00 10.39 N ATOM 1538 NH2 ARG B 54 10.447 7.799 -14.853 1.00 10.70 N ATOM 0 H ARG B 54 10.446 4.203 -10.016 1.00 8.14 H new ATOM 0 HA ARG B 54 12.571 6.253 -10.191 1.00 8.09 H new ATOM 0 HB2 ARG B 54 10.157 6.155 -8.350 1.00 7.88 H new ATOM 0 HB3 ARG B 54 11.256 7.501 -8.582 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.418 6.364 -10.721 1.00 8.41 H new ATOM 0 HG3 ARG B 54 9.084 7.794 -9.764 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.562 9.099 -10.934 1.00 9.15 H new ATOM 0 HD3 ARG B 54 11.725 7.803 -11.131 1.00 9.15 H new ATOM 0 HE ARG B 54 9.238 7.524 -12.703 1.00 9.64 H new ATOM 0 HH11 ARG B 54 12.598 8.626 -12.603 1.00 10.39 H new ATOM 0 HH12 ARG B 54 12.777 8.596 -14.360 1.00 10.39 H new ATOM 0 HH21 ARG B 54 9.485 7.474 -14.949 1.00 10.70 H new ATOM 0 HH22 ARG B 54 11.021 7.946 -15.683 1.00 10.70 H new ATOM 1552 N THR B 55 13.454 5.876 -7.786 1.00 7.68 N ATOM 1553 CA THR B 55 14.225 5.423 -6.643 1.00 7.27 C ATOM 1554 C THR B 55 13.653 5.991 -5.354 1.00 6.76 C ATOM 1555 O THR B 55 12.748 6.827 -5.382 1.00 6.83 O ATOM 1556 CB THR B 55 15.705 5.840 -6.761 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.806 7.250 -7.008 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.398 5.082 -7.880 1.00 8.15 C ATOM 0 H THR B 55 13.634 6.842 -8.058 1.00 7.68 H new ATOM 0 HA THR B 55 14.166 4.335 -6.624 1.00 7.27 H new ATOM 0 HB THR B 55 16.196 5.599 -5.818 1.00 7.75 H new ATOM 0 HG1 THR B 55 15.336 7.471 -7.839 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.440 5.396 -7.941 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.352 4.012 -7.677 1.00 8.15 H new ATOM 0 HG23 THR B 55 15.900 5.294 -8.826 1.00 8.15 H new ATOM 1566 N LEU B 56 14.183 5.538 -4.225 1.00 6.30 N ATOM 1567 CA LEU B 56 13.733 6.021 -2.929 1.00 5.87 C ATOM 1568 C LEU B 56 14.054 7.507 -2.782 1.00 6.39 C ATOM 1569 O LEU B 56 13.331 8.252 -2.120 1.00 6.35 O ATOM 1570 CB LEU B 56 14.396 5.223 -1.803 1.00 5.35 C ATOM 1571 CG LEU B 56 14.021 3.740 -1.752 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.793 3.037 -0.650 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.525 3.571 -1.538 1.00 4.34 C ATOM 0 H LEU B 56 14.924 4.838 -4.182 1.00 6.30 H new ATOM 0 HA LEU B 56 12.654 5.885 -2.862 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.478 5.305 -1.908 1.00 5.35 H new ATOM 0 HB3 LEU B 56 14.133 5.682 -0.850 1.00 5.35 H new ATOM 0 HG LEU B 56 14.285 3.287 -2.708 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.515 1.983 -0.626 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.862 3.126 -0.841 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.556 3.496 0.310 1.00 4.55 H new ATOM 0 HD21 LEU B 56 12.280 2.509 -1.505 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.237 4.040 -0.597 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.984 4.043 -2.359 1.00 4.34 H new ATOM 1585 N SER B 57 15.123 7.937 -3.440 1.00 6.96 N ATOM 1586 CA SER B 57 15.552 9.326 -3.389 1.00 7.54 C ATOM 1587 C SER B 57 14.620 10.217 -4.208 1.00 7.98 C ATOM 1588 O SER B 57 14.574 11.429 -4.010 1.00 8.39 O ATOM 1589 CB SER B 57 16.990 9.439 -3.896 1.00 8.01 C ATOM 1590 OG SER B 57 17.447 8.187 -4.389 1.00 7.91 O ATOM 0 H SER B 57 15.712 7.338 -4.019 1.00 6.96 H new ATOM 0 HA SER B 57 15.511 9.667 -2.355 1.00 7.54 H new ATOM 0 HB2 SER B 57 17.045 10.189 -4.685 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.640 9.777 -3.089 1.00 8.01 H new ATOM 0 HG SER B 57 17.568 7.565 -3.641 1.00 7.91 H new ATOM 1596 N ASP B 58 13.855 9.603 -5.109 1.00 7.94 N ATOM 1597 CA ASP B 58 12.922 10.343 -5.957 1.00 8.36 C ATOM 1598 C ASP B 58 11.754 10.872 -5.139 1.00 8.11 C ATOM 1599 O ASP B 58 11.105 11.846 -5.519 1.00 8.57 O ATOM 1600 CB ASP B 58 12.397 9.463 -7.093 1.00 8.35 C ATOM 1601 CG ASP B 58 13.328 9.438 -8.284 1.00 8.93 C ATOM 1602 OD1 ASP B 58 13.377 10.438 -9.025 1.00 9.53 O ATOM 1603 OD2 ASP B 58 14.017 8.418 -8.483 1.00 8.85 O ATOM 0 H ASP B 58 13.863 8.596 -5.271 1.00 7.94 H new ATOM 0 HA ASP B 58 13.465 11.185 -6.388 1.00 8.36 H new ATOM 0 HB2 ASP B 58 12.255 8.447 -6.725 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.419 9.827 -7.408 1.00 8.35 H new ATOM 1608 N TYR B 59 11.485 10.219 -4.017 1.00 7.43 N ATOM 1609 CA TYR B 59 10.399 10.628 -3.139 1.00 7.20 C ATOM 1610 C TYR B 59 10.964 11.131 -1.819 1.00 7.19 C ATOM 1611 O TYR B 59 10.237 11.306 -0.842 1.00 6.99 O ATOM 1612 CB TYR B 59 9.433 9.465 -2.898 1.00 6.47 C ATOM 1613 CG TYR B 59 8.833 8.906 -4.167 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.723 9.501 -4.754 1.00 6.55 C ATOM 1615 CD2 TYR B 59 9.386 7.793 -4.786 1.00 6.66 C ATOM 1616 CE1 TYR B 59 7.179 8.997 -5.919 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.850 7.285 -5.951 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.747 7.892 -6.515 1.00 6.77 C ATOM 1619 OH TYR B 59 7.212 7.391 -7.678 1.00 6.97 O ATOM 0 H TYR B 59 12.005 9.403 -3.694 1.00 7.43 H new ATOM 0 HA TYR B 59 9.846 11.435 -3.618 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.960 8.668 -2.373 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.629 9.801 -2.243 1.00 6.47 H new ATOM 0 HD1 TYR B 59 7.279 10.371 -4.292 1.00 6.55 H new ATOM 0 HD2 TYR B 59 10.251 7.317 -4.348 1.00 6.66 H new ATOM 0 HE1 TYR B 59 6.313 9.467 -6.361 1.00 6.65 H new ATOM 0 HE2 TYR B 59 9.291 6.417 -6.419 1.00 6.81 H new ATOM 0 HH TYR B 59 6.234 7.438 -7.635 1.00 6.97 H new ATOM 1629 N ASN B 60 12.279 11.358 -1.817 1.00 7.47 N ATOM 1630 CA ASN B 60 13.000 11.842 -0.642 1.00 7.55 C ATOM 1631 C ASN B 60 12.814 10.899 0.543 1.00 6.85 C ATOM 1632 O ASN B 60 12.726 11.330 1.693 1.00 6.88 O ATOM 1633 CB ASN B 60 12.550 13.263 -0.278 1.00 8.14 C ATOM 1634 CG ASN B 60 13.647 14.067 0.399 1.00 8.48 C ATOM 1635 OD1 ASN B 60 13.842 13.986 1.613 1.00 8.51 O ATOM 1636 ND2 ASN B 60 14.365 14.859 -0.379 1.00 8.82 N ATOM 0 H ASN B 60 12.874 11.211 -2.633 1.00 7.47 H new ATOM 0 HA ASN B 60 14.062 11.869 -0.887 1.00 7.55 H new ATOM 0 HB2 ASN B 60 12.229 13.781 -1.182 1.00 8.14 H new ATOM 0 HB3 ASN B 60 11.684 13.208 0.382 1.00 8.14 H new ATOM 0 HD21 ASN B 60 15.110 15.429 0.022 1.00 8.82 H new ATOM 0 HD22 ASN B 60 14.174 14.900 -1.380 1.00 8.82 H new ATOM 1643 N ILE B 61 12.759 9.607 0.257 1.00 6.28 N ATOM 1644 CA ILE B 61 12.592 8.608 1.299 1.00 5.59 C ATOM 1645 C ILE B 61 13.925 8.340 1.980 1.00 5.56 C ATOM 1646 O ILE B 61 14.832 7.754 1.387 1.00 5.56 O ATOM 1647 CB ILE B 61 12.018 7.288 0.741 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.671 7.547 0.063 1.00 5.03 C ATOM 1649 CG2 ILE B 61 11.867 6.254 1.851 1.00 4.29 C ATOM 1650 CD1 ILE B 61 10.158 6.375 -0.746 1.00 4.62 C ATOM 0 H ILE B 61 12.828 9.227 -0.687 1.00 6.28 H new ATOM 0 HA ILE B 61 11.880 9.003 2.024 1.00 5.59 H new ATOM 0 HB ILE B 61 12.713 6.892 0.001 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.934 7.800 0.825 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.765 8.414 -0.591 1.00 5.03 H new ATOM 0 HG21 ILE B 61 11.461 5.331 1.436 1.00 4.29 H new ATOM 0 HG22 ILE B 61 12.841 6.054 2.297 1.00 4.29 H new ATOM 0 HG23 ILE B 61 11.190 6.637 2.615 1.00 4.29 H new ATOM 0 HD11 ILE B 61 9.200 6.635 -1.196 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.874 6.134 -1.532 1.00 4.62 H new ATOM 0 HD13 ILE B 61 10.030 5.511 -0.094 1.00 4.62 H new ATOM 1662 N GLN B 62 14.047 8.802 3.211 1.00 5.63 N ATOM 1663 CA GLN B 62 15.265 8.616 3.979 1.00 5.66 C ATOM 1664 C GLN B 62 15.117 7.420 4.909 1.00 5.00 C ATOM 1665 O GLN B 62 14.193 6.616 4.761 1.00 4.51 O ATOM 1666 CB GLN B 62 15.575 9.880 4.784 1.00 6.23 C ATOM 1667 CG GLN B 62 15.886 11.087 3.918 1.00 6.94 C ATOM 1668 CD GLN B 62 15.933 12.376 4.709 1.00 7.54 C ATOM 1669 OE1 GLN B 62 14.928 13.076 4.840 1.00 8.05 O ATOM 1670 NE2 GLN B 62 17.099 12.693 5.249 1.00 7.56 N ATOM 0 H GLN B 62 13.313 9.312 3.703 1.00 5.63 H new ATOM 0 HA GLN B 62 16.091 8.426 3.294 1.00 5.66 H new ATOM 0 HB2 GLN B 62 14.724 10.112 5.424 1.00 6.23 H new ATOM 0 HB3 GLN B 62 16.423 9.685 5.440 1.00 6.23 H new ATOM 0 HG2 GLN B 62 16.844 10.935 3.421 1.00 6.94 H new ATOM 0 HG3 GLN B 62 15.131 11.172 3.136 1.00 6.94 H new ATOM 0 HE21 GLN B 62 17.906 12.084 5.115 1.00 7.56 H new ATOM 0 HE22 GLN B 62 17.191 13.547 5.799 1.00 7.56 H new ATOM 1679 N LYS B 63 16.023 7.295 5.863 1.00 5.05 N ATOM 1680 CA LYS B 63 15.974 6.201 6.818 1.00 4.56 C ATOM 1681 C LYS B 63 14.839 6.425 7.814 1.00 4.55 C ATOM 1682 O LYS B 63 14.369 7.554 7.981 1.00 5.02 O ATOM 1683 CB LYS B 63 17.313 6.075 7.546 1.00 4.73 C ATOM 1684 CG LYS B 63 17.789 7.378 8.163 1.00 5.32 C ATOM 1685 CD LYS B 63 19.001 7.168 9.049 1.00 5.47 C ATOM 1686 CE LYS B 63 19.166 8.318 10.029 1.00 6.08 C ATOM 1687 NZ LYS B 63 17.890 8.626 10.732 1.00 6.18 N ATOM 0 H LYS B 63 16.803 7.939 5.997 1.00 5.05 H new ATOM 0 HA LYS B 63 15.785 5.271 6.282 1.00 4.56 H new ATOM 0 HB2 LYS B 63 17.223 5.322 8.329 1.00 4.73 H new ATOM 0 HB3 LYS B 63 18.067 5.717 6.845 1.00 4.73 H new ATOM 0 HG2 LYS B 63 18.035 8.087 7.372 1.00 5.32 H new ATOM 0 HG3 LYS B 63 16.982 7.820 8.748 1.00 5.32 H new ATOM 0 HD2 LYS B 63 18.898 6.231 9.596 1.00 5.47 H new ATOM 0 HD3 LYS B 63 19.896 7.080 8.432 1.00 5.47 H new ATOM 0 HE2 LYS B 63 19.934 8.066 10.761 1.00 6.08 H new ATOM 0 HE3 LYS B 63 19.512 9.204 9.496 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 18.097 9.001 11.680 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 17.356 9.334 10.189 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 17.324 7.758 10.819 1.00 6.18 H new ATOM 1701 N GLU B 64 14.404 5.346 8.461 1.00 4.12 N ATOM 1702 CA GLU B 64 13.319 5.398 9.442 1.00 4.23 C ATOM 1703 C GLU B 64 12.012 5.844 8.788 1.00 4.21 C ATOM 1704 O GLU B 64 11.289 6.683 9.323 1.00 4.54 O ATOM 1705 CB GLU B 64 13.672 6.328 10.613 1.00 4.87 C ATOM 1706 CG GLU B 64 14.497 5.665 11.709 1.00 4.93 C ATOM 1707 CD GLU B 64 15.920 5.375 11.283 1.00 5.11 C ATOM 1708 OE1 GLU B 64 16.761 6.295 11.345 1.00 5.47 O ATOM 1709 OE2 GLU B 64 16.204 4.223 10.889 1.00 5.06 O ATOM 0 H GLU B 64 14.792 4.413 8.322 1.00 4.12 H new ATOM 0 HA GLU B 64 13.184 4.390 9.835 1.00 4.23 H new ATOM 0 HB2 GLU B 64 14.223 7.186 10.228 1.00 4.87 H new ATOM 0 HB3 GLU B 64 12.749 6.711 11.049 1.00 4.87 H new ATOM 0 HG2 GLU B 64 14.511 6.311 12.587 1.00 4.93 H new ATOM 0 HG3 GLU B 64 14.015 4.733 12.006 1.00 4.93 H new ATOM 1716 N SER B 65 11.708 5.271 7.633 1.00 3.91 N ATOM 1717 CA SER B 65 10.488 5.607 6.916 1.00 3.90 C ATOM 1718 C SER B 65 9.544 4.413 6.874 1.00 3.33 C ATOM 1719 O SER B 65 9.984 3.260 6.844 1.00 2.87 O ATOM 1720 CB SER B 65 10.816 6.071 5.496 1.00 4.00 C ATOM 1721 OG SER B 65 11.726 7.157 5.512 1.00 4.61 O ATOM 0 H SER B 65 12.290 4.571 7.173 1.00 3.91 H new ATOM 0 HA SER B 65 9.993 6.421 7.445 1.00 3.90 H new ATOM 0 HB2 SER B 65 11.242 5.243 4.929 1.00 4.00 H new ATOM 0 HB3 SER B 65 9.899 6.368 4.986 1.00 4.00 H new ATOM 0 HG SER B 65 12.577 6.877 5.115 1.00 4.61 H new ATOM 1727 N THR B 66 8.249 4.695 6.886 1.00 3.44 N ATOM 1728 CA THR B 66 7.238 3.656 6.845 1.00 3.03 C ATOM 1729 C THR B 66 6.453 3.710 5.536 1.00 2.64 C ATOM 1730 O THR B 66 5.796 4.708 5.231 1.00 2.95 O ATOM 1731 CB THR B 66 6.268 3.782 8.037 1.00 3.54 C ATOM 1732 OG1 THR B 66 7.018 3.959 9.246 1.00 4.12 O ATOM 1733 CG2 THR B 66 5.383 2.549 8.162 1.00 3.37 C ATOM 0 H THR B 66 7.875 5.643 6.924 1.00 3.44 H new ATOM 0 HA THR B 66 7.751 2.697 6.909 1.00 3.03 H new ATOM 0 HB THR B 66 5.626 4.646 7.866 1.00 3.54 H new ATOM 0 HG1 THR B 66 6.402 4.041 10.004 1.00 4.12 H new ATOM 0 HG21 THR B 66 4.710 2.668 9.011 1.00 3.37 H new ATOM 0 HG22 THR B 66 4.798 2.427 7.250 1.00 3.37 H new ATOM 0 HG23 THR B 66 6.006 1.668 8.314 1.00 3.37 H new ATOM 1741 N LEU B 67 6.540 2.638 4.766 1.00 2.05 N ATOM 1742 CA LEU B 67 5.841 2.544 3.495 1.00 1.73 C ATOM 1743 C LEU B 67 4.614 1.662 3.653 1.00 1.35 C ATOM 1744 O LEU B 67 4.634 0.701 4.420 1.00 1.37 O ATOM 1745 CB LEU B 67 6.761 1.961 2.417 1.00 1.57 C ATOM 1746 CG LEU B 67 8.046 2.752 2.145 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.897 2.047 1.101 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.721 4.167 1.693 1.00 2.73 C ATOM 0 H LEU B 67 7.093 1.814 5.002 1.00 2.05 H new ATOM 0 HA LEU B 67 5.536 3.544 3.188 1.00 1.73 H new ATOM 0 HB2 LEU B 67 7.035 0.947 2.708 1.00 1.57 H new ATOM 0 HB3 LEU B 67 6.198 1.885 1.487 1.00 1.57 H new ATOM 0 HG LEU B 67 8.613 2.809 3.074 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.804 2.624 0.922 1.00 2.27 H new ATOM 0 HD12 LEU B 67 9.164 1.053 1.460 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.334 1.958 0.172 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.647 4.711 1.505 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.130 4.130 0.778 1.00 2.73 H new ATOM 0 HD23 LEU B 67 7.153 4.676 2.471 1.00 2.73 H new ATOM 1760 N HIS B 68 3.547 1.988 2.944 1.00 1.33 N ATOM 1761 CA HIS B 68 2.328 1.202 3.026 1.00 1.10 C ATOM 1762 C HIS B 68 2.249 0.208 1.874 1.00 0.56 C ATOM 1763 O HIS B 68 2.040 0.590 0.722 1.00 0.78 O ATOM 1764 CB HIS B 68 1.093 2.103 3.020 1.00 1.57 C ATOM 1765 CG HIS B 68 0.302 2.050 4.296 1.00 2.36 C ATOM 1766 ND1 HIS B 68 -0.055 0.872 4.921 1.00 2.80 N ATOM 1767 CD2 HIS B 68 -0.196 3.042 5.070 1.00 3.18 C ATOM 1768 CE1 HIS B 68 -0.737 1.146 6.017 1.00 3.58 C ATOM 1769 NE2 HIS B 68 -0.835 2.454 6.130 1.00 3.83 N ATOM 0 H HIS B 68 3.499 2.785 2.310 1.00 1.33 H new ATOM 0 HA HIS B 68 2.352 0.651 3.966 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.405 3.131 2.839 1.00 1.57 H new ATOM 0 HB3 HIS B 68 0.448 1.815 2.190 1.00 1.57 H new ATOM 0 HD1 HIS B 68 0.173 -0.065 4.587 1.00 2.80 H new ATOM 0 HD2 HIS B 68 -0.106 4.102 4.886 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -1.145 0.420 6.705 1.00 3.58 H new ATOM 1778 N LEU B 69 2.437 -1.064 2.194 1.00 0.85 N ATOM 1779 CA LEU B 69 2.381 -2.121 1.197 1.00 1.28 C ATOM 1780 C LEU B 69 0.933 -2.536 0.969 1.00 1.50 C ATOM 1781 O LEU B 69 0.419 -3.444 1.625 1.00 1.96 O ATOM 1782 CB LEU B 69 3.219 -3.325 1.640 1.00 1.92 C ATOM 1783 CG LEU B 69 3.175 -4.539 0.709 1.00 2.60 C ATOM 1784 CD1 LEU B 69 3.780 -4.202 -0.645 1.00 2.68 C ATOM 1785 CD2 LEU B 69 3.903 -5.715 1.341 1.00 3.24 C ATOM 0 H LEU B 69 2.630 -1.389 3.141 1.00 0.85 H new ATOM 0 HA LEU B 69 2.795 -1.745 0.261 1.00 1.28 H new ATOM 0 HB2 LEU B 69 4.256 -3.005 1.742 1.00 1.92 H new ATOM 0 HB3 LEU B 69 2.882 -3.636 2.629 1.00 1.92 H new ATOM 0 HG LEU B 69 2.132 -4.817 0.555 1.00 2.60 H new ATOM 0 HD11 LEU B 69 3.738 -5.079 -1.291 1.00 2.68 H new ATOM 0 HD12 LEU B 69 3.218 -3.388 -1.102 1.00 2.68 H new ATOM 0 HD13 LEU B 69 4.818 -3.897 -0.514 1.00 2.68 H new ATOM 0 HD21 LEU B 69 3.864 -6.571 0.668 1.00 3.24 H new ATOM 0 HD22 LEU B 69 4.943 -5.444 1.523 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.425 -5.974 2.286 1.00 3.24 H new ATOM 1797 N VAL B 70 0.274 -1.842 0.060 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.112 -2.128 -0.253 1.00 1.60 C ATOM 1799 C VAL B 70 -1.210 -3.240 -1.288 1.00 2.32 C ATOM 1800 O VAL B 70 -0.783 -3.080 -2.434 1.00 2.64 O ATOM 1801 CB VAL B 70 -1.843 -0.871 -0.768 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.318 -1.162 -1.012 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -1.677 0.281 0.215 1.00 0.88 C ATOM 0 H VAL B 70 0.678 -1.074 -0.476 1.00 1.39 H new ATOM 0 HA VAL B 70 -1.595 -2.453 0.668 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.395 -0.581 -1.719 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -3.812 -0.260 -1.375 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.415 -1.953 -1.756 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -3.785 -1.481 -0.080 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.199 1.160 -0.163 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.096 -0.002 1.181 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -0.618 0.510 0.332 1.00 0.88 H new ATOM 1813 N LEU B 71 -1.741 -4.378 -0.864 1.00 2.72 N ATOM 1814 CA LEU B 71 -1.919 -5.517 -1.747 1.00 3.42 C ATOM 1815 C LEU B 71 -3.149 -5.297 -2.615 1.00 3.52 C ATOM 1816 O LEU B 71 -4.279 -5.478 -2.164 1.00 3.46 O ATOM 1817 CB LEU B 71 -2.067 -6.818 -0.945 1.00 3.93 C ATOM 1818 CG LEU B 71 -0.758 -7.468 -0.486 1.00 4.27 C ATOM 1819 CD1 LEU B 71 -0.114 -6.660 0.628 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -1.011 -8.895 -0.031 1.00 4.99 C ATOM 0 H LEU B 71 -2.057 -4.535 0.093 1.00 2.72 H new ATOM 0 HA LEU B 71 -1.036 -5.609 -2.379 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -2.678 -6.614 -0.066 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -2.615 -7.538 -1.553 1.00 3.93 H new ATOM 0 HG LEU B 71 -0.070 -7.487 -1.331 1.00 4.27 H new ATOM 0 HD11 LEU B 71 0.814 -7.141 0.937 1.00 4.40 H new ATOM 0 HD12 LEU B 71 0.101 -5.653 0.270 1.00 4.40 H new ATOM 0 HD13 LEU B 71 -0.795 -6.605 1.478 1.00 4.40 H new ATOM 0 HD21 LEU B 71 -0.073 -9.345 0.293 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -1.718 -8.892 0.799 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -1.425 -9.473 -0.858 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.928 -4.888 -3.851 1.00 3.80 N ATOM 1833 CA ARG B 72 -4.024 -4.631 -4.766 1.00 4.03 C ATOM 1834 C ARG B 72 -4.519 -5.930 -5.387 1.00 4.67 C ATOM 1835 O ARG B 72 -4.183 -6.265 -6.523 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.598 -3.643 -5.849 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.765 -3.056 -6.625 1.00 4.52 C ATOM 1838 CD ARG B 72 -4.427 -1.688 -7.178 1.00 4.87 C ATOM 1839 NE ARG B 72 -3.329 -1.730 -8.138 1.00 5.41 N ATOM 1840 CZ ARG B 72 -2.892 -0.670 -8.814 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -3.457 0.518 -8.632 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -1.889 -0.798 -9.672 1.00 6.44 N ATOM 0 H ARG B 72 -2.000 -4.727 -4.244 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.845 -4.188 -4.203 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -3.033 -2.832 -5.389 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.925 -4.145 -6.544 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -5.033 -3.725 -7.443 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.636 -2.982 -5.974 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -5.310 -1.265 -7.658 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.162 -1.023 -6.356 1.00 4.87 H new ATOM 0 HE ARG B 72 -2.869 -2.626 -8.301 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -4.228 0.620 -7.972 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -3.120 1.328 -9.152 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -1.452 -1.709 -9.814 1.00 6.44 H new ATOM 0 HH22 ARG B 72 -1.554 0.014 -10.190 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.302 -6.663 -4.617 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.856 -7.923 -5.070 1.00 5.30 C ATOM 1858 C LEU B 73 -7.147 -7.687 -5.847 1.00 5.53 C ATOM 1859 O LEU B 73 -7.954 -6.828 -5.486 1.00 5.25 O ATOM 1860 CB LEU B 73 -6.100 -8.845 -3.874 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.828 -9.313 -3.161 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -5.156 -9.894 -1.800 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -4.099 -10.341 -4.005 1.00 6.22 C ATOM 0 H LEU B 73 -5.570 -6.403 -3.668 1.00 4.67 H new ATOM 0 HA LEU B 73 -5.143 -8.405 -5.739 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -6.734 -8.326 -3.155 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.654 -9.720 -4.214 1.00 5.36 H new ATOM 0 HG LEU B 73 -4.180 -8.448 -3.019 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -4.237 -10.220 -1.312 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -5.642 -9.135 -1.188 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -5.825 -10.746 -1.920 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -3.197 -10.665 -3.486 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -4.748 -11.200 -4.174 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -3.827 -9.898 -4.963 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.323 -8.439 -6.924 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.501 -8.310 -7.776 1.00 6.46 C ATOM 1877 C ARG B 74 -9.718 -8.999 -7.156 1.00 6.87 C ATOM 1878 O ARG B 74 -10.045 -10.138 -7.496 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.206 -8.895 -9.162 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.051 -8.203 -9.874 1.00 7.09 C ATOM 1881 CD ARG B 74 -6.394 -9.106 -10.906 1.00 7.58 C ATOM 1882 NE ARG B 74 -7.206 -9.256 -12.113 1.00 8.13 N ATOM 1883 CZ ARG B 74 -6.784 -9.866 -13.220 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -5.556 -10.360 -13.285 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -7.593 -9.974 -14.264 1.00 9.16 N ATOM 0 H ARG B 74 -6.660 -9.151 -7.232 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.736 -7.250 -7.874 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.978 -9.956 -9.060 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -9.102 -8.820 -9.779 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.416 -7.300 -10.363 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -6.308 -7.891 -9.140 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -5.420 -8.697 -11.175 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -6.217 -10.087 -10.466 1.00 7.58 H new ATOM 0 HE ARG B 74 -8.151 -8.871 -12.107 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -4.929 -10.274 -12.485 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -5.238 -10.826 -14.135 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -8.537 -9.590 -14.219 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -7.272 -10.441 -15.112 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.378 -8.308 -6.238 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.552 -8.858 -5.589 1.00 7.22 C ATOM 1901 C GLY B 75 -12.433 -7.773 -5.003 1.00 7.03 C ATOM 1902 O GLY B 75 -11.973 -6.655 -4.780 1.00 7.21 O ATOM 0 H GLY B 75 -10.120 -7.371 -5.929 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -12.125 -9.442 -6.309 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.243 -9.542 -4.798 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.696 -8.094 -4.765 1.00 6.90 N ATOM 1907 CA GLY B 76 -14.610 -7.121 -4.205 1.00 6.84 C ATOM 1908 C GLY B 76 -15.998 -7.236 -4.795 1.00 7.02 C ATOM 1909 O GLY B 76 -16.839 -7.947 -4.209 1.00 7.18 O ATOM 1910 OXT GLY B 76 -16.247 -6.636 -5.863 1.00 7.20 O ATOM 0 H GLY B 76 -14.104 -9.010 -4.950 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -14.664 -7.255 -3.125 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -14.223 -6.117 -4.383 1.00 6.84 H new TER 1914 GLY B 76