USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=22 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 -50:sc= 0.467 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.153 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.383 K(o=0.79,f=-1.1) USER MOD Set 2.2: B 49 GLN : amide:sc= 0.41 K(o=0.79,f=-1.1) USER MOD Set 3.1: A 64 SER OG : rot 153:sc= 1.35 USER MOD Set 3.2: A 67 GLN : amide:sc= 1.01 K(o=2.4,f=-2.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.601 K(o=-0.6,f=-5!) USER MOD Single : A 71 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0817 K(o=-0.082,f=-0.66) USER MOD Single : A 76 MET CE :methyl 178:sc= 0 (180deg=-0.00543) USER MOD Single : A 84 SER OG : rot 71:sc= 0.386 USER MOD Single : A 89 GLN : amide:sc= -0.706 K(o=-0.71,f=-0.17) USER MOD Single : A 91 THR OG1 : rot -76:sc= 0.707 USER MOD Single : A 96 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.8!) USER MOD Single : B 1 MET CE :methyl 168:sc= -0.807 (180deg=-0.845) USER MOD Single : B 1 MET N :NH3+ 158:sc= 1.28 (180deg=1.08) 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 -69:sc= -1.08 USER MOD Single : B 9 THR OG1 : rot -95:sc= 1.26 USER MOD Single : B 11 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.08) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0861 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : B 25 ASN : amide:sc= 1.18 K(o=1.2,f=-1.1) USER MOD Single : B 27 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.1) USER MOD Single : B 29 LYS NZ :NH3+ 157:sc= 1 (180deg=0.639) USER MOD Single : B 31 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2.4!) USER MOD Single : B 33 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.08) USER MOD Single : B 40 GLN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : B 41 GLN : amide:sc= 0.934 K(o=0.93,f=-4.8!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 TYR OH : rot 60:sc= 0.831 USER MOD Single : B 60 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.21) USER MOD Single : B 62 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.056) USER MOD Single : B 63 LYS NZ :NH3+ -125:sc= 1.29 (180deg=0.256) USER MOD Single : B 65 SER OG : rot 126:sc= 1.27 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 63 -26.731 12.506 1.083 1.00 14.11 N ATOM 2 CA GLY A 63 -25.438 11.931 0.638 1.00 13.39 C ATOM 3 C GLY A 63 -25.592 10.519 0.109 1.00 12.08 C ATOM 4 O GLY A 63 -26.672 9.933 0.188 1.00 11.75 O ATOM 0 HA2 GLY A 63 -25.009 12.564 -0.139 1.00 13.39 H new ATOM 0 HA3 GLY A 63 -24.736 11.930 1.472 1.00 13.39 H new ATOM 8 N SER A 64 -24.517 9.968 -0.435 1.00 11.42 N ATOM 9 CA SER A 64 -24.546 8.619 -0.979 1.00 10.21 C ATOM 10 C SER A 64 -24.294 7.589 0.127 1.00 9.88 C ATOM 11 O SER A 64 -24.310 7.929 1.312 1.00 10.50 O ATOM 12 CB SER A 64 -23.513 8.494 -2.093 1.00 9.77 C ATOM 13 OG SER A 64 -23.586 9.604 -2.974 1.00 9.97 O ATOM 0 H SER A 64 -23.613 10.435 -0.511 1.00 11.42 H new ATOM 0 HA SER A 64 -25.533 8.421 -1.397 1.00 10.21 H new ATOM 0 HB2 SER A 64 -22.513 8.430 -1.663 1.00 9.77 H new ATOM 0 HB3 SER A 64 -23.680 7.571 -2.649 1.00 9.77 H new ATOM 0 HG SER A 64 -22.710 9.752 -3.388 1.00 9.97 H new ATOM 19 N GLN A 65 -24.062 6.338 -0.256 1.00 9.07 N ATOM 20 CA GLN A 65 -23.828 5.276 0.715 1.00 8.94 C ATOM 21 C GLN A 65 -22.345 5.124 1.050 1.00 8.54 C ATOM 22 O GLN A 65 -21.920 5.393 2.173 1.00 9.04 O ATOM 23 CB GLN A 65 -24.371 3.950 0.184 1.00 8.41 C ATOM 24 CG GLN A 65 -25.888 3.889 0.133 1.00 8.81 C ATOM 25 CD GLN A 65 -26.393 2.701 -0.660 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.609 2.793 -1.868 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.585 1.576 0.007 1.00 8.68 N ATOM 0 H GLN A 65 -24.031 6.035 -1.230 1.00 9.07 H new ATOM 0 HA GLN A 65 -24.352 5.551 1.630 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.975 3.780 -0.817 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -24.004 3.139 0.813 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -26.281 3.838 1.148 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -26.271 4.808 -0.311 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.395 1.538 1.008 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -26.923 0.746 -0.480 1.00 8.68 H new ATOM 36 N TRP A 66 -21.557 4.703 0.070 1.00 7.75 N ATOM 37 CA TRP A 66 -20.131 4.484 0.286 1.00 7.29 C ATOM 38 C TRP A 66 -19.285 5.663 -0.177 1.00 7.94 C ATOM 39 O TRP A 66 -18.085 5.703 0.085 1.00 7.67 O ATOM 40 CB TRP A 66 -19.679 3.211 -0.427 1.00 5.95 C ATOM 41 CG TRP A 66 -20.427 1.990 0.009 1.00 5.44 C ATOM 42 CD1 TRP A 66 -20.542 1.505 1.281 1.00 5.69 C ATOM 43 CD2 TRP A 66 -21.163 1.095 -0.830 1.00 4.95 C ATOM 44 NE1 TRP A 66 -21.304 0.364 1.281 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.697 0.093 -0.004 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.421 1.047 -2.203 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.470 -0.952 -0.505 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.191 0.014 -2.699 1.00 4.46 C ATOM 49 CH2 TRP A 66 -22.708 -0.973 -1.851 1.00 4.35 C ATOM 0 H TRP A 66 -21.878 4.507 -0.878 1.00 7.75 H new ATOM 0 HA TRP A 66 -19.983 4.378 1.361 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -19.805 3.341 -1.502 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.615 3.060 -0.246 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -20.098 1.954 2.158 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.540 -0.192 2.103 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -21.025 1.804 -2.864 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -22.867 -1.717 0.146 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.398 -0.034 -3.758 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.308 -1.768 -2.269 1.00 4.35 H new ATOM 60 N GLN A 67 -19.904 6.622 -0.855 1.00 8.91 N ATOM 61 CA GLN A 67 -19.176 7.795 -1.340 1.00 9.79 C ATOM 62 C GLN A 67 -18.477 8.551 -0.196 1.00 10.34 C ATOM 63 O GLN A 67 -17.298 8.884 -0.320 1.00 10.35 O ATOM 64 CB GLN A 67 -20.085 8.744 -2.125 1.00 10.87 C ATOM 65 CG GLN A 67 -19.312 9.768 -2.941 1.00 11.49 C ATOM 66 CD GLN A 67 -20.214 10.662 -3.764 1.00 12.17 C ATOM 67 OE1 GLN A 67 -21.278 10.245 -4.219 1.00 12.51 O ATOM 68 NE2 GLN A 67 -19.795 11.900 -3.961 1.00 12.54 N ATOM 0 H GLN A 67 -20.899 6.614 -1.081 1.00 8.91 H new ATOM 0 HA GLN A 67 -18.408 7.422 -2.017 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -20.720 8.161 -2.792 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -20.744 9.264 -1.430 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -18.712 10.383 -2.270 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -18.619 9.250 -3.604 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -18.906 12.206 -3.566 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -20.361 12.549 -4.508 1.00 12.54 H new ATOM 77 N PRO A 68 -19.167 8.839 0.940 1.00 10.91 N ATOM 78 CA PRO A 68 -18.538 9.540 2.071 1.00 11.55 C ATOM 79 C PRO A 68 -17.400 8.720 2.680 1.00 10.63 C ATOM 80 O PRO A 68 -16.539 9.248 3.386 1.00 10.96 O ATOM 81 CB PRO A 68 -19.676 9.706 3.086 1.00 12.27 C ATOM 82 CG PRO A 68 -20.925 9.527 2.300 1.00 12.32 C ATOM 83 CD PRO A 68 -20.585 8.545 1.218 1.00 11.14 C ATOM 0 HA PRO A 68 -18.093 10.487 1.766 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -19.603 8.967 3.884 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -19.644 10.688 3.557 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -21.733 9.153 2.929 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -21.261 10.474 1.878 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -20.727 7.516 1.547 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -21.208 8.686 0.334 1.00 11.14 H new ATOM 91 N GLN A 69 -17.404 7.423 2.391 1.00 9.49 N ATOM 92 CA GLN A 69 -16.383 6.515 2.892 1.00 8.55 C ATOM 93 C GLN A 69 -15.147 6.570 1.999 1.00 8.02 C ATOM 94 O GLN A 69 -14.020 6.394 2.465 1.00 7.78 O ATOM 95 CB GLN A 69 -16.927 5.084 2.954 1.00 7.60 C ATOM 96 CG GLN A 69 -18.262 4.967 3.680 1.00 8.24 C ATOM 97 CD GLN A 69 -18.139 5.159 5.180 1.00 9.20 C ATOM 98 OE1 GLN A 69 -17.253 5.866 5.663 1.00 9.45 O ATOM 99 NE2 GLN A 69 -19.034 4.534 5.930 1.00 9.96 N ATOM 0 H GLN A 69 -18.111 6.976 1.807 1.00 9.49 H new ATOM 0 HA GLN A 69 -16.104 6.825 3.899 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -17.041 4.704 1.939 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -16.195 4.448 3.452 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -18.953 5.709 3.280 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -18.694 3.987 3.479 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -19.753 3.957 5.492 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -19.005 4.629 6.945 1.00 9.96 H new ATOM 108 N LEU A 70 -15.375 6.835 0.713 1.00 8.02 N ATOM 109 CA LEU A 70 -14.293 6.929 -0.268 1.00 7.89 C ATOM 110 C LEU A 70 -13.325 8.040 0.114 1.00 8.90 C ATOM 111 O LEU A 70 -12.125 7.956 -0.150 1.00 8.74 O ATOM 112 CB LEU A 70 -14.860 7.193 -1.668 1.00 8.18 C ATOM 113 CG LEU A 70 -15.759 6.091 -2.235 1.00 7.26 C ATOM 114 CD1 LEU A 70 -16.377 6.535 -3.553 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.969 4.807 -2.429 1.00 6.12 C ATOM 0 H LEU A 70 -16.305 6.989 0.324 1.00 8.02 H new ATOM 0 HA LEU A 70 -13.757 5.980 -0.277 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -15.428 8.123 -1.641 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -14.028 7.348 -2.355 1.00 8.18 H new ATOM 0 HG LEU A 70 -16.561 5.900 -1.522 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -17.013 5.740 -3.943 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -16.975 7.432 -3.391 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -15.586 6.752 -4.271 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -15.624 4.035 -2.833 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -14.148 4.986 -3.123 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -14.568 4.478 -1.470 1.00 6.12 H new ATOM 127 N GLN A 71 -13.863 9.075 0.750 1.00 9.99 N ATOM 128 CA GLN A 71 -13.071 10.215 1.190 1.00 11.06 C ATOM 129 C GLN A 71 -11.951 9.763 2.124 1.00 10.72 C ATOM 130 O GLN A 71 -10.806 10.194 1.993 1.00 11.09 O ATOM 131 CB GLN A 71 -13.969 11.227 1.902 1.00 12.24 C ATOM 132 CG GLN A 71 -13.266 12.521 2.281 1.00 13.13 C ATOM 133 CD GLN A 71 -14.096 13.385 3.211 1.00 13.82 C ATOM 134 OE1 GLN A 71 -13.558 14.107 4.050 1.00 14.10 O ATOM 135 NE2 GLN A 71 -15.413 13.331 3.065 1.00 14.24 N ATOM 0 H GLN A 71 -14.856 9.146 0.974 1.00 9.99 H new ATOM 0 HA GLN A 71 -12.622 10.686 0.315 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -14.816 11.461 1.258 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -14.372 10.767 2.804 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -12.316 12.287 2.760 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -13.037 13.084 1.376 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -15.823 12.720 2.358 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -16.016 13.900 3.659 1.00 14.24 H new ATOM 144 N GLN A 72 -12.292 8.872 3.050 1.00 10.10 N ATOM 145 CA GLN A 72 -11.325 8.355 4.010 1.00 9.84 C ATOM 146 C GLN A 72 -10.296 7.478 3.314 1.00 8.80 C ATOM 147 O GLN A 72 -9.102 7.571 3.585 1.00 8.95 O ATOM 148 CB GLN A 72 -12.034 7.554 5.104 1.00 9.58 C ATOM 149 CG GLN A 72 -13.025 8.376 5.911 1.00 10.51 C ATOM 150 CD GLN A 72 -12.371 9.538 6.637 1.00 11.48 C ATOM 151 OE1 GLN A 72 -11.202 9.473 7.022 1.00 11.74 O ATOM 152 NE2 GLN A 72 -13.125 10.608 6.833 1.00 12.15 N ATOM 0 H GLN A 72 -13.233 8.493 3.155 1.00 10.10 H new ATOM 0 HA GLN A 72 -10.813 9.202 4.466 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -12.558 6.714 4.647 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -11.287 7.135 5.778 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -13.800 8.758 5.246 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -13.519 7.731 6.638 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -14.088 10.621 6.498 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -12.743 11.419 7.319 1.00 12.15 H new ATOM 161 N LEU A 73 -10.773 6.631 2.408 1.00 7.83 N ATOM 162 CA LEU A 73 -9.906 5.731 1.656 1.00 6.88 C ATOM 163 C LEU A 73 -8.865 6.515 0.864 1.00 7.64 C ATOM 164 O LEU A 73 -7.664 6.254 0.961 1.00 7.45 O ATOM 165 CB LEU A 73 -10.741 4.870 0.704 1.00 5.88 C ATOM 166 CG LEU A 73 -11.668 3.864 1.384 1.00 5.07 C ATOM 167 CD1 LEU A 73 -12.725 3.371 0.412 1.00 4.30 C ATOM 168 CD2 LEU A 73 -10.872 2.694 1.938 1.00 4.47 C ATOM 0 H LEU A 73 -11.763 6.549 2.176 1.00 7.83 H new ATOM 0 HA LEU A 73 -9.388 5.086 2.365 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -11.342 5.528 0.077 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -10.065 4.328 0.042 1.00 5.88 H new ATOM 0 HG LEU A 73 -12.168 4.365 2.213 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -13.376 2.655 0.914 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -13.318 4.215 0.060 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -12.241 2.888 -0.437 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -11.549 1.988 2.419 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -10.345 2.195 1.125 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -10.150 3.059 2.669 1.00 4.47 H new ATOM 180 N ARG A 74 -9.334 7.490 0.101 1.00 8.61 N ATOM 181 CA ARG A 74 -8.455 8.317 -0.715 1.00 9.59 C ATOM 182 C ARG A 74 -7.481 9.097 0.158 1.00 10.26 C ATOM 183 O ARG A 74 -6.339 9.333 -0.232 1.00 10.62 O ATOM 184 CB ARG A 74 -9.280 9.275 -1.574 1.00 10.58 C ATOM 185 CG ARG A 74 -10.140 8.566 -2.603 1.00 10.33 C ATOM 186 CD ARG A 74 -11.106 9.520 -3.284 1.00 11.09 C ATOM 187 NE ARG A 74 -12.028 8.813 -4.172 1.00 11.57 N ATOM 188 CZ ARG A 74 -13.117 9.359 -4.706 1.00 12.12 C ATOM 189 NH1 ARG A 74 -13.420 10.628 -4.464 1.00 12.26 N ATOM 190 NH2 ARG A 74 -13.899 8.632 -5.494 1.00 12.66 N ATOM 0 H ARG A 74 -10.323 7.730 0.029 1.00 8.61 H new ATOM 0 HA ARG A 74 -7.878 7.663 -1.369 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -9.920 9.874 -0.926 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -8.608 9.965 -2.085 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -9.500 8.100 -3.352 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -10.700 7.765 -2.119 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -11.673 10.064 -2.529 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -10.545 10.259 -3.856 1.00 11.09 H new ATOM 0 HE ARG A 74 -11.823 7.839 -4.396 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -12.816 11.191 -3.865 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -14.257 11.040 -4.877 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -13.664 7.659 -5.688 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -14.735 9.047 -5.906 1.00 12.66 H new ATOM 204 N ASP A 75 -7.929 9.470 1.349 1.00 10.54 N ATOM 205 CA ASP A 75 -7.093 10.220 2.279 1.00 11.27 C ATOM 206 C ASP A 75 -5.988 9.335 2.843 1.00 10.44 C ATOM 207 O ASP A 75 -4.851 9.774 3.007 1.00 10.88 O ATOM 208 CB ASP A 75 -7.935 10.793 3.419 1.00 11.97 C ATOM 209 CG ASP A 75 -7.154 11.758 4.285 1.00 12.96 C ATOM 210 OD1 ASP A 75 -7.084 12.955 3.936 1.00 13.34 O ATOM 211 OD2 ASP A 75 -6.616 11.329 5.323 1.00 13.39 O ATOM 0 H ASP A 75 -8.867 9.266 1.695 1.00 10.54 H new ATOM 0 HA ASP A 75 -6.636 11.045 1.732 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -8.804 11.303 3.004 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -8.309 9.976 4.036 1.00 11.97 H new ATOM 216 N MET A 76 -6.333 8.082 3.126 1.00 9.25 N ATOM 217 CA MET A 76 -5.381 7.112 3.665 1.00 8.38 C ATOM 218 C MET A 76 -4.318 6.761 2.628 1.00 8.05 C ATOM 219 O MET A 76 -3.260 6.224 2.960 1.00 7.84 O ATOM 220 CB MET A 76 -6.111 5.838 4.109 1.00 7.29 C ATOM 221 CG MET A 76 -6.941 6.023 5.368 1.00 7.05 C ATOM 222 SD MET A 76 -8.139 4.698 5.624 1.00 6.11 S ATOM 223 CE MET A 76 -7.051 3.318 5.980 1.00 6.19 C ATOM 0 H MET A 76 -7.273 7.711 2.990 1.00 9.25 H new ATOM 0 HA MET A 76 -4.892 7.564 4.528 1.00 8.38 H new ATOM 0 HB2 MET A 76 -6.761 5.501 3.301 1.00 7.29 H new ATOM 0 HB3 MET A 76 -5.378 5.049 4.279 1.00 7.29 H new ATOM 0 HG2 MET A 76 -6.276 6.076 6.230 1.00 7.05 H new ATOM 0 HG3 MET A 76 -7.468 6.976 5.313 1.00 7.05 H new ATOM 0 HE1 MET A 76 -7.647 2.431 6.196 1.00 6.19 H new ATOM 0 HE2 MET A 76 -6.413 3.125 5.117 1.00 6.19 H new ATOM 0 HE3 MET A 76 -6.430 3.557 6.844 1.00 6.19 H new ATOM 233 N GLY A 77 -4.607 7.070 1.371 1.00 8.19 N ATOM 234 CA GLY A 77 -3.673 6.785 0.306 1.00 8.26 C ATOM 235 C GLY A 77 -4.136 5.651 -0.582 1.00 7.78 C ATOM 236 O GLY A 77 -3.366 5.128 -1.390 1.00 8.03 O ATOM 0 H GLY A 77 -5.475 7.514 1.072 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -3.531 7.681 -0.298 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -2.703 6.534 0.735 1.00 8.26 H new ATOM 240 N ILE A 78 -5.390 5.256 -0.435 1.00 7.25 N ATOM 241 CA ILE A 78 -5.932 4.184 -1.248 1.00 6.87 C ATOM 242 C ILE A 78 -6.312 4.725 -2.622 1.00 7.92 C ATOM 243 O ILE A 78 -7.439 5.170 -2.843 1.00 8.11 O ATOM 244 CB ILE A 78 -7.155 3.508 -0.591 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.895 3.229 0.897 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.495 2.218 -1.322 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.730 2.299 1.158 1.00 4.22 C ATOM 0 H ILE A 78 -6.046 5.659 0.234 1.00 7.25 H new ATOM 0 HA ILE A 78 -5.158 3.423 -1.346 1.00 6.87 H new ATOM 0 HB ILE A 78 -8.003 4.189 -0.663 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.712 4.175 1.406 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.795 2.799 1.337 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.359 1.749 -0.850 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -7.726 2.440 -2.364 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.644 1.539 -1.276 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -5.614 2.154 2.232 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -5.918 1.338 0.680 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.818 2.735 0.750 1.00 4.22 H new ATOM 259 N GLN A 79 -5.337 4.703 -3.525 1.00 8.74 N ATOM 260 CA GLN A 79 -5.511 5.189 -4.890 1.00 9.84 C ATOM 261 C GLN A 79 -6.677 4.494 -5.582 1.00 9.63 C ATOM 262 O GLN A 79 -7.504 5.142 -6.221 1.00 10.41 O ATOM 263 CB GLN A 79 -4.219 4.972 -5.683 1.00 10.93 C ATOM 264 CG GLN A 79 -4.257 5.519 -7.101 1.00 11.98 C ATOM 265 CD GLN A 79 -2.886 5.546 -7.746 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.448 4.564 -8.346 1.00 12.98 O ATOM 267 NE2 GLN A 79 -2.193 6.668 -7.617 1.00 12.99 N ATOM 0 H GLN A 79 -4.401 4.347 -3.331 1.00 8.74 H new ATOM 0 HA GLN A 79 -5.737 6.254 -4.848 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -3.394 5.441 -5.147 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.006 3.904 -5.724 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -4.928 4.908 -7.705 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -4.669 6.528 -7.088 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -2.593 7.459 -7.112 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -1.260 6.741 -8.023 1.00 12.99 H new ATOM 276 N ASP A 80 -6.740 3.178 -5.453 1.00 8.64 N ATOM 277 CA ASP A 80 -7.811 2.404 -6.068 1.00 8.48 C ATOM 278 C ASP A 80 -9.060 2.451 -5.198 1.00 7.69 C ATOM 279 O ASP A 80 -9.396 1.484 -4.503 1.00 6.59 O ATOM 280 CB ASP A 80 -7.379 0.954 -6.290 1.00 8.02 C ATOM 281 CG ASP A 80 -5.941 0.838 -6.748 1.00 9.04 C ATOM 282 OD1 ASP A 80 -5.048 0.792 -5.882 1.00 9.40 O ATOM 283 OD2 ASP A 80 -5.696 0.788 -7.970 1.00 9.63 O ATOM 0 H ASP A 80 -6.064 2.623 -4.929 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.037 2.846 -7.038 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.507 0.395 -5.363 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -8.031 0.494 -7.033 1.00 8.02 H new ATOM 288 N ASP A 81 -9.740 3.586 -5.235 1.00 8.34 N ATOM 289 CA ASP A 81 -10.954 3.788 -4.451 1.00 7.85 C ATOM 290 C ASP A 81 -12.094 2.941 -5.000 1.00 7.35 C ATOM 291 O ASP A 81 -12.941 2.466 -4.247 1.00 6.42 O ATOM 292 CB ASP A 81 -11.348 5.272 -4.431 1.00 8.97 C ATOM 293 CG ASP A 81 -11.785 5.799 -5.786 1.00 9.79 C ATOM 294 OD1 ASP A 81 -10.943 5.861 -6.708 1.00 10.41 O ATOM 295 OD2 ASP A 81 -12.964 6.176 -5.930 1.00 9.98 O ATOM 0 H ASP A 81 -9.471 4.389 -5.804 1.00 8.34 H new ATOM 0 HA ASP A 81 -10.753 3.473 -3.427 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.158 5.416 -3.715 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -10.501 5.860 -4.077 1.00 8.97 H new ATOM 300 N GLU A 82 -12.095 2.726 -6.311 1.00 8.08 N ATOM 301 CA GLU A 82 -13.125 1.922 -6.951 1.00 7.93 C ATOM 302 C GLU A 82 -12.938 0.453 -6.593 1.00 6.97 C ATOM 303 O GLU A 82 -13.905 -0.289 -6.438 1.00 6.36 O ATOM 304 CB GLU A 82 -13.088 2.121 -8.462 1.00 9.21 C ATOM 305 CG GLU A 82 -13.459 3.529 -8.885 1.00 9.80 C ATOM 306 CD GLU A 82 -13.236 3.760 -10.358 1.00 10.67 C ATOM 307 OE1 GLU A 82 -12.114 4.150 -10.739 1.00 11.24 O ATOM 308 OE2 GLU A 82 -14.179 3.543 -11.144 1.00 10.93 O ATOM 0 H GLU A 82 -11.393 3.098 -6.950 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.102 2.243 -6.590 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -12.088 1.889 -8.829 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -13.772 1.414 -8.933 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.506 3.715 -8.645 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -12.869 4.245 -8.313 1.00 9.80 H new ATOM 315 N LEU A 83 -11.681 0.045 -6.447 1.00 6.96 N ATOM 316 CA LEU A 83 -11.363 -1.326 -6.068 1.00 6.31 C ATOM 317 C LEU A 83 -11.845 -1.546 -4.639 1.00 4.93 C ATOM 318 O LEU A 83 -12.354 -2.611 -4.287 1.00 4.43 O ATOM 319 CB LEU A 83 -9.847 -1.576 -6.181 1.00 6.75 C ATOM 320 CG LEU A 83 -9.410 -3.028 -6.428 1.00 7.08 C ATOM 321 CD1 LEU A 83 -9.470 -3.847 -5.145 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.264 -3.670 -7.512 1.00 7.88 C ATOM 0 H LEU A 83 -10.867 0.644 -6.585 1.00 6.96 H new ATOM 0 HA LEU A 83 -11.861 -2.028 -6.737 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.459 -0.960 -6.992 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.374 -1.229 -5.262 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.375 -3.011 -6.768 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -9.155 -4.870 -5.351 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -8.807 -3.406 -4.401 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -10.491 -3.852 -4.764 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -9.938 -4.698 -7.671 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.309 -3.665 -7.203 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -10.158 -3.108 -8.440 1.00 7.88 H new ATOM 334 N SER A 84 -11.717 -0.498 -3.838 1.00 4.61 N ATOM 335 CA SER A 84 -12.144 -0.529 -2.452 1.00 3.54 C ATOM 336 C SER A 84 -13.668 -0.526 -2.368 1.00 3.20 C ATOM 337 O SER A 84 -14.242 -1.027 -1.409 1.00 2.40 O ATOM 338 CB SER A 84 -11.565 0.669 -1.703 1.00 4.04 C ATOM 339 OG SER A 84 -10.163 0.745 -1.886 1.00 4.41 O ATOM 0 H SER A 84 -11.316 0.393 -4.131 1.00 4.61 H new ATOM 0 HA SER A 84 -11.776 -1.444 -1.988 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.033 1.587 -2.058 1.00 4.04 H new ATOM 0 HB3 SER A 84 -11.794 0.585 -0.641 1.00 4.04 H new ATOM 0 HG SER A 84 -9.968 1.018 -2.807 1.00 4.41 H new ATOM 345 N LEU A 85 -14.317 0.027 -3.391 1.00 4.01 N ATOM 346 CA LEU A 85 -15.774 0.077 -3.446 1.00 3.84 C ATOM 347 C LEU A 85 -16.324 -1.345 -3.423 1.00 3.28 C ATOM 348 O LEU A 85 -17.357 -1.620 -2.815 1.00 2.78 O ATOM 349 CB LEU A 85 -16.238 0.822 -4.709 1.00 4.96 C ATOM 350 CG LEU A 85 -17.625 1.482 -4.639 1.00 5.14 C ATOM 351 CD1 LEU A 85 -18.729 0.470 -4.919 1.00 4.60 C ATOM 352 CD2 LEU A 85 -17.838 2.144 -3.286 1.00 5.12 C ATOM 0 H LEU A 85 -13.853 0.448 -4.196 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.153 0.620 -2.580 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.503 1.593 -4.941 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.235 0.119 -5.542 1.00 4.96 H new ATOM 0 HG LEU A 85 -17.669 2.251 -5.410 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.699 0.965 -4.863 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -18.593 0.050 -5.916 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.686 -0.329 -4.179 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -18.825 2.605 -3.258 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.765 1.394 -2.498 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.076 2.908 -3.131 1.00 5.12 H new ATOM 364 N ARG A 86 -15.602 -2.252 -4.074 1.00 3.88 N ATOM 365 CA ARG A 86 -15.990 -3.653 -4.116 1.00 4.19 C ATOM 366 C ARG A 86 -15.897 -4.243 -2.712 1.00 3.70 C ATOM 367 O ARG A 86 -16.776 -4.982 -2.272 1.00 3.99 O ATOM 368 CB ARG A 86 -15.095 -4.433 -5.083 1.00 5.40 C ATOM 369 CG ARG A 86 -15.063 -3.851 -6.489 1.00 6.27 C ATOM 370 CD ARG A 86 -14.120 -4.625 -7.397 1.00 7.50 C ATOM 371 NE ARG A 86 -14.568 -5.999 -7.627 1.00 8.08 N ATOM 372 CZ ARG A 86 -14.046 -6.814 -8.547 1.00 9.13 C ATOM 373 NH1 ARG A 86 -13.069 -6.394 -9.341 1.00 9.71 N ATOM 374 NH2 ARG A 86 -14.502 -8.053 -8.669 1.00 9.73 N ATOM 0 H ARG A 86 -14.743 -2.038 -4.580 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.017 -3.729 -4.473 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.080 -4.457 -4.686 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.442 -5.465 -5.134 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.068 -3.865 -6.911 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -14.750 -2.808 -6.444 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -14.036 -4.109 -8.353 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.124 -4.640 -6.954 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.327 -6.357 -7.048 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -12.712 -5.443 -9.251 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -12.675 -7.022 -10.041 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -15.251 -8.383 -8.060 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -14.104 -8.676 -9.372 1.00 9.73 H new ATOM 388 N ALA A 87 -14.832 -3.883 -2.004 1.00 3.29 N ATOM 389 CA ALA A 87 -14.619 -4.353 -0.643 1.00 3.24 C ATOM 390 C ALA A 87 -15.634 -3.708 0.298 1.00 2.92 C ATOM 391 O ALA A 87 -16.050 -4.309 1.291 1.00 3.77 O ATOM 392 CB ALA A 87 -13.197 -4.053 -0.199 1.00 2.94 C ATOM 0 H ALA A 87 -14.100 -3.264 -2.354 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.762 -5.433 -0.612 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -13.051 -4.410 0.821 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.495 -4.556 -0.863 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -13.024 -2.977 -0.235 1.00 2.94 H new ATOM 398 N LEU A 88 -16.023 -2.476 -0.021 1.00 2.29 N ATOM 399 CA LEU A 88 -17.010 -1.750 0.764 1.00 2.80 C ATOM 400 C LEU A 88 -18.361 -2.442 0.638 1.00 3.31 C ATOM 401 O LEU A 88 -19.120 -2.529 1.598 1.00 4.23 O ATOM 402 CB LEU A 88 -17.120 -0.299 0.285 1.00 2.96 C ATOM 403 CG LEU A 88 -16.442 0.754 1.172 1.00 3.67 C ATOM 404 CD1 LEU A 88 -17.165 0.885 2.501 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.978 0.415 1.396 1.00 3.12 C ATOM 0 H LEU A 88 -15.665 -1.959 -0.824 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.697 -1.743 1.808 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.691 -0.234 -0.715 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -18.176 -0.045 0.196 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.495 1.712 0.655 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.667 1.637 3.113 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -18.198 1.186 2.325 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -17.150 -0.074 3.020 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.521 1.177 2.028 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.900 -0.556 1.885 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.461 0.381 0.437 1.00 3.12 H new ATOM 417 N GLN A 89 -18.640 -2.931 -0.566 1.00 2.99 N ATOM 418 CA GLN A 89 -19.875 -3.649 -0.848 1.00 3.54 C ATOM 419 C GLN A 89 -19.891 -4.967 -0.077 1.00 4.52 C ATOM 420 O GLN A 89 -20.917 -5.373 0.471 1.00 5.29 O ATOM 421 CB GLN A 89 -19.999 -3.900 -2.362 1.00 3.40 C ATOM 422 CG GLN A 89 -20.715 -5.193 -2.725 1.00 3.28 C ATOM 423 CD GLN A 89 -19.800 -6.210 -3.389 1.00 3.90 C ATOM 424 OE1 GLN A 89 -19.908 -7.411 -3.142 1.00 4.41 O ATOM 425 NE2 GLN A 89 -18.911 -5.743 -4.253 1.00 4.33 N ATOM 0 H GLN A 89 -18.018 -2.841 -1.370 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.727 -3.049 -0.528 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.532 -3.064 -2.815 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -19.001 -3.916 -2.799 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.143 -5.631 -1.823 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -21.545 -4.967 -3.394 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -18.851 -4.741 -4.432 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -18.286 -6.386 -4.740 1.00 4.33 H new ATOM 434 N ALA A 90 -18.733 -5.616 -0.031 1.00 4.72 N ATOM 435 CA ALA A 90 -18.584 -6.885 0.668 1.00 5.90 C ATOM 436 C ALA A 90 -18.842 -6.722 2.159 1.00 6.49 C ATOM 437 O ALA A 90 -19.699 -7.398 2.731 1.00 7.58 O ATOM 438 CB ALA A 90 -17.193 -7.452 0.434 1.00 6.16 C ATOM 0 H ALA A 90 -17.878 -5.280 -0.474 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.323 -7.581 0.271 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.093 -8.401 0.961 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.040 -7.612 -0.633 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.447 -6.750 0.806 1.00 6.16 H new ATOM 444 N THR A 91 -18.115 -5.802 2.776 1.00 5.96 N ATOM 445 CA THR A 91 -18.253 -5.549 4.203 1.00 6.79 C ATOM 446 C THR A 91 -19.598 -4.909 4.527 1.00 7.26 C ATOM 447 O THR A 91 -20.132 -5.074 5.624 1.00 8.28 O ATOM 448 CB THR A 91 -17.128 -4.637 4.713 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.996 -3.496 3.852 1.00 5.23 O ATOM 450 CG2 THR A 91 -15.810 -5.388 4.773 1.00 6.30 C ATOM 0 H THR A 91 -17.422 -5.217 2.310 1.00 5.96 H new ATOM 0 HA THR A 91 -18.190 -6.515 4.704 1.00 6.79 H new ATOM 0 HB THR A 91 -17.384 -4.306 5.719 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.536 -3.760 3.028 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.028 -4.722 5.137 1.00 6.30 H new ATOM 0 HG22 THR A 91 -15.906 -6.238 5.448 1.00 6.30 H new ATOM 0 HG23 THR A 91 -15.548 -5.744 3.777 1.00 6.30 H new ATOM 458 N GLY A 92 -20.135 -4.171 3.569 1.00 6.62 N ATOM 459 CA GLY A 92 -21.408 -3.512 3.757 1.00 7.16 C ATOM 460 C GLY A 92 -21.243 -2.016 3.905 1.00 7.11 C ATOM 461 O GLY A 92 -22.075 -1.237 3.438 1.00 7.79 O ATOM 0 H GLY A 92 -19.707 -4.016 2.656 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.058 -3.725 2.908 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.899 -3.914 4.643 1.00 7.16 H new ATOM 465 N GLY A 93 -20.157 -1.614 4.545 1.00 6.52 N ATOM 466 CA GLY A 93 -19.888 -0.208 4.743 1.00 6.76 C ATOM 467 C GLY A 93 -18.802 0.026 5.770 1.00 7.35 C ATOM 468 O GLY A 93 -18.968 0.830 6.683 1.00 8.35 O ATOM 0 H GLY A 93 -19.453 -2.242 4.933 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.592 0.241 3.795 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.802 0.294 5.062 1.00 6.76 H new ATOM 472 N ASP A 94 -17.690 -0.683 5.625 1.00 6.83 N ATOM 473 CA ASP A 94 -16.574 -0.542 6.553 1.00 7.34 C ATOM 474 C ASP A 94 -15.297 -0.225 5.787 1.00 6.34 C ATOM 475 O ASP A 94 -15.107 -0.700 4.670 1.00 5.39 O ATOM 476 CB ASP A 94 -16.389 -1.817 7.377 1.00 8.06 C ATOM 477 CG ASP A 94 -15.682 -1.554 8.692 1.00 8.93 C ATOM 478 OD1 ASP A 94 -14.432 -1.558 8.720 1.00 9.06 O ATOM 479 OD2 ASP A 94 -16.374 -1.331 9.708 1.00 9.60 O ATOM 0 H ASP A 94 -17.536 -1.359 4.877 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.795 0.279 7.236 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.363 -2.264 7.574 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -15.817 -2.542 6.798 1.00 8.06 H new ATOM 484 N ILE A 95 -14.426 0.572 6.386 1.00 6.69 N ATOM 485 CA ILE A 95 -13.177 0.961 5.742 1.00 5.90 C ATOM 486 C ILE A 95 -12.046 -0.016 6.058 1.00 5.73 C ATOM 487 O ILE A 95 -11.515 -0.678 5.165 1.00 4.72 O ATOM 488 CB ILE A 95 -12.744 2.382 6.174 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.785 3.416 5.739 1.00 7.07 C ATOM 490 CG2 ILE A 95 -11.374 2.734 5.600 1.00 6.13 C ATOM 491 CD1 ILE A 95 -14.007 3.461 4.241 1.00 6.13 C ATOM 0 H ILE A 95 -14.559 0.964 7.318 1.00 6.69 H new ATOM 0 HA ILE A 95 -13.366 0.947 4.669 1.00 5.90 H new ATOM 0 HB ILE A 95 -12.671 2.396 7.261 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.732 3.195 6.232 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -13.470 4.402 6.081 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -11.093 3.738 5.919 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.634 2.019 5.960 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -11.415 2.697 4.511 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -14.757 4.216 4.007 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -13.071 3.712 3.742 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -14.352 2.487 3.895 1.00 6.13 H new ATOM 503 N GLN A 96 -11.696 -0.112 7.336 1.00 6.84 N ATOM 504 CA GLN A 96 -10.606 -0.976 7.776 1.00 7.04 C ATOM 505 C GLN A 96 -10.858 -2.438 7.412 1.00 6.72 C ATOM 506 O GLN A 96 -9.960 -3.121 6.918 1.00 6.21 O ATOM 507 CB GLN A 96 -10.403 -0.837 9.284 1.00 8.47 C ATOM 508 CG GLN A 96 -8.984 -1.141 9.738 1.00 8.96 C ATOM 509 CD GLN A 96 -7.976 -0.116 9.250 1.00 9.42 C ATOM 510 OE1 GLN A 96 -7.362 -0.282 8.196 1.00 9.63 O ATOM 511 NE2 GLN A 96 -7.797 0.949 10.015 1.00 9.81 N ATOM 0 H GLN A 96 -12.154 0.401 8.089 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.702 -0.658 7.257 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -10.662 0.178 9.585 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -11.092 -1.508 9.798 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -8.957 -1.180 10.827 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -8.696 -2.128 9.376 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -8.326 1.049 10.881 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -7.130 1.670 9.738 1.00 9.81 H new ATOM 520 N ALA A 97 -12.077 -2.913 7.646 1.00 7.19 N ATOM 521 CA ALA A 97 -12.417 -4.296 7.337 1.00 7.30 C ATOM 522 C ALA A 97 -12.296 -4.563 5.844 1.00 6.10 C ATOM 523 O ALA A 97 -11.845 -5.631 5.427 1.00 6.26 O ATOM 524 CB ALA A 97 -13.819 -4.624 7.815 1.00 8.11 C ATOM 0 H ALA A 97 -12.840 -2.366 8.045 1.00 7.19 H new ATOM 0 HA ALA A 97 -11.711 -4.940 7.862 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.052 -5.661 7.574 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -13.879 -4.480 8.894 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -14.535 -3.967 7.321 1.00 8.11 H new ATOM 530 N ALA A 98 -12.685 -3.576 5.042 1.00 5.11 N ATOM 531 CA ALA A 98 -12.629 -3.694 3.591 1.00 3.96 C ATOM 532 C ALA A 98 -11.199 -3.910 3.116 1.00 3.50 C ATOM 533 O ALA A 98 -10.937 -4.776 2.279 1.00 3.58 O ATOM 534 CB ALA A 98 -13.216 -2.451 2.943 1.00 3.13 C ATOM 0 H ALA A 98 -13.044 -2.682 5.376 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.219 -4.562 3.296 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -13.169 -2.549 1.858 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -14.255 -2.335 3.252 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.646 -1.575 3.253 1.00 3.13 H new ATOM 540 N LEU A 99 -10.277 -3.136 3.673 1.00 3.43 N ATOM 541 CA LEU A 99 -8.868 -3.232 3.312 1.00 3.02 C ATOM 542 C LEU A 99 -8.303 -4.606 3.649 1.00 3.99 C ATOM 543 O LEU A 99 -7.443 -5.123 2.934 1.00 3.99 O ATOM 544 CB LEU A 99 -8.060 -2.144 4.021 1.00 3.22 C ATOM 545 CG LEU A 99 -7.746 -0.906 3.174 1.00 2.80 C ATOM 546 CD1 LEU A 99 -6.841 -1.273 2.006 1.00 3.12 C ATOM 547 CD2 LEU A 99 -9.027 -0.258 2.672 1.00 2.72 C ATOM 0 H LEU A 99 -10.481 -2.431 4.381 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.790 -3.088 2.234 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.608 -1.827 4.909 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.120 -2.577 4.364 1.00 3.22 H new ATOM 0 HG LEU A 99 -7.223 -0.186 3.803 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -6.629 -0.381 1.416 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -5.907 -1.688 2.386 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -7.338 -2.013 1.379 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.781 0.619 2.073 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -9.580 -0.971 2.061 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -9.639 0.043 3.522 1.00 2.72 H new ATOM 559 N GLU A 100 -8.793 -5.195 4.732 1.00 5.11 N ATOM 560 CA GLU A 100 -8.347 -6.517 5.154 1.00 6.25 C ATOM 561 C GLU A 100 -8.706 -7.568 4.105 1.00 6.58 C ATOM 562 O GLU A 100 -7.914 -8.471 3.823 1.00 7.26 O ATOM 563 CB GLU A 100 -8.962 -6.882 6.506 1.00 7.44 C ATOM 564 CG GLU A 100 -7.996 -6.740 7.670 1.00 7.73 C ATOM 565 CD GLU A 100 -6.934 -7.818 7.669 1.00 8.52 C ATOM 566 OE1 GLU A 100 -5.953 -7.695 6.908 1.00 8.88 O ATOM 567 OE2 GLU A 100 -7.085 -8.804 8.426 1.00 8.97 O ATOM 0 H GLU A 100 -9.501 -4.777 5.336 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.262 -6.494 5.260 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -9.830 -6.247 6.685 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.322 -7.910 6.467 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -7.518 -5.762 7.625 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -8.551 -6.781 8.607 1.00 7.73 H new ATOM 574 N LEU A 101 -9.893 -7.435 3.519 1.00 6.27 N ATOM 575 CA LEU A 101 -10.346 -8.372 2.492 1.00 6.77 C ATOM 576 C LEU A 101 -9.504 -8.226 1.228 1.00 6.45 C ATOM 577 O LEU A 101 -9.189 -9.216 0.561 1.00 7.40 O ATOM 578 CB LEU A 101 -11.829 -8.155 2.159 1.00 6.50 C ATOM 579 CG LEU A 101 -12.838 -8.905 3.044 1.00 7.42 C ATOM 580 CD1 LEU A 101 -12.242 -10.192 3.596 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.326 -8.019 4.175 1.00 8.03 C ATOM 0 H LEU A 101 -10.557 -6.691 3.736 1.00 6.27 H new ATOM 0 HA LEU A 101 -10.226 -9.381 2.886 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.043 -7.088 2.224 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -11.995 -8.451 1.123 1.00 6.50 H new ATOM 0 HG LEU A 101 -13.691 -9.170 2.419 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -12.981 -10.698 4.217 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -11.955 -10.843 2.771 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -11.363 -9.958 4.196 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.039 -8.571 4.788 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -12.479 -7.714 4.790 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -13.811 -7.135 3.761 1.00 8.03 H new ATOM 593 N ILE A 102 -9.136 -6.990 0.910 1.00 5.30 N ATOM 594 CA ILE A 102 -8.317 -6.713 -0.265 1.00 5.26 C ATOM 595 C ILE A 102 -6.931 -7.322 -0.083 1.00 5.93 C ATOM 596 O ILE A 102 -6.384 -7.936 -0.995 1.00 6.78 O ATOM 597 CB ILE A 102 -8.182 -5.196 -0.531 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.564 -4.551 -0.665 1.00 3.48 C ATOM 599 CG2 ILE A 102 -7.358 -4.945 -1.788 1.00 4.62 C ATOM 600 CD1 ILE A 102 -9.523 -3.041 -0.785 1.00 2.57 C ATOM 0 H ILE A 102 -9.392 -6.163 1.450 1.00 5.30 H new ATOM 0 HA ILE A 102 -8.814 -7.161 -1.125 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.668 -4.743 0.317 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -10.064 -4.963 -1.542 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -10.167 -4.821 0.202 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -7.274 -3.872 -1.959 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.363 -5.372 -1.662 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -7.847 -5.412 -2.643 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -10.538 -2.656 -0.876 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -9.053 -2.618 0.103 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.948 -2.762 -1.668 1.00 2.57 H new ATOM 612 N PHE A 103 -6.386 -7.168 1.119 1.00 5.72 N ATOM 613 CA PHE A 103 -5.072 -7.702 1.444 1.00 6.33 C ATOM 614 C PHE A 103 -5.083 -9.230 1.401 1.00 7.75 C ATOM 615 O PHE A 103 -4.073 -9.863 1.092 1.00 8.49 O ATOM 616 CB PHE A 103 -4.638 -7.213 2.830 1.00 5.96 C ATOM 617 CG PHE A 103 -3.176 -7.411 3.110 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.256 -6.441 2.756 1.00 6.20 C ATOM 619 CD2 PHE A 103 -2.722 -8.567 3.727 1.00 6.17 C ATOM 620 CE1 PHE A 103 -0.910 -6.618 3.007 1.00 6.41 C ATOM 621 CE2 PHE A 103 -1.376 -8.751 3.982 1.00 6.39 C ATOM 622 CZ PHE A 103 -0.470 -7.775 3.621 1.00 6.50 C ATOM 0 H PHE A 103 -6.839 -6.674 1.888 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.359 -7.345 0.701 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -4.876 -6.153 2.923 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -5.218 -7.738 3.589 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -2.595 -5.534 2.277 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -3.429 -9.333 4.012 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.202 -5.853 2.724 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -1.035 -9.656 4.462 1.00 6.39 H new ATOM 0 HZ PHE A 103 0.583 -7.915 3.818 1.00 6.50 H new ATOM 632 N ALA A 104 -6.230 -9.817 1.713 1.00 8.21 N ATOM 633 CA ALA A 104 -6.374 -11.264 1.711 1.00 9.59 C ATOM 634 C ALA A 104 -6.540 -11.795 0.292 1.00 10.06 C ATOM 635 O ALA A 104 -6.080 -12.890 -0.030 1.00 10.71 O ATOM 636 CB ALA A 104 -7.556 -11.676 2.574 1.00 10.13 C ATOM 0 H ALA A 104 -7.077 -9.310 1.971 1.00 8.21 H new ATOM 0 HA ALA A 104 -5.465 -11.698 2.129 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -7.653 -12.762 2.564 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -7.396 -11.335 3.597 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -8.468 -11.227 2.181 1.00 10.13 H new ATOM 642 N GLY A 105 -7.194 -11.012 -0.553 1.00 9.88 N ATOM 643 CA GLY A 105 -7.414 -11.424 -1.923 1.00 10.43 C ATOM 644 C GLY A 105 -8.754 -12.096 -2.100 1.00 10.44 C ATOM 645 O GLY A 105 -8.896 -13.027 -2.895 1.00 11.29 O ATOM 0 H GLY A 105 -7.577 -10.097 -0.314 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -7.355 -10.555 -2.578 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -6.622 -12.108 -2.228 1.00 10.43 H new ATOM 649 N GLY A 106 -9.737 -11.638 -1.341 1.00 9.61 N ATOM 650 CA GLY A 106 -11.067 -12.198 -1.428 1.00 9.65 C ATOM 651 C GLY A 106 -12.069 -11.360 -0.672 1.00 9.16 C ATOM 652 O GLY A 106 -11.878 -11.075 0.506 1.00 8.46 O ATOM 0 H GLY A 106 -9.635 -10.883 -0.662 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -11.366 -12.269 -2.474 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -11.063 -13.212 -1.028 1.00 9.65 H new ATOM 656 N ALA A 107 -13.122 -10.950 -1.351 1.00 9.69 N ATOM 657 CA ALA A 107 -14.154 -10.141 -0.731 1.00 9.44 C ATOM 658 C ALA A 107 -15.517 -10.797 -0.910 1.00 10.28 C ATOM 659 O ALA A 107 -15.977 -10.981 -2.038 1.00 11.13 O ATOM 660 CB ALA A 107 -14.148 -8.737 -1.310 1.00 9.49 C ATOM 0 H ALA A 107 -13.286 -11.164 -2.335 1.00 9.69 H new ATOM 0 HA ALA A 107 -13.947 -10.067 0.337 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -14.928 -8.144 -0.834 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -13.178 -8.273 -1.129 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -14.333 -8.785 -2.383 1.00 9.49 H new ATOM 666 N PRO A 108 -16.157 -11.186 0.204 1.00 10.24 N ATOM 667 CA PRO A 108 -17.477 -11.839 0.191 1.00 11.19 C ATOM 668 C PRO A 108 -18.562 -10.990 -0.470 1.00 11.68 C ATOM 669 O PRO A 108 -19.120 -10.096 0.203 1.00 12.15 O ATOM 670 CB PRO A 108 -17.793 -12.038 1.675 1.00 11.08 C ATOM 671 CG PRO A 108 -16.476 -11.995 2.363 1.00 10.16 C ATOM 672 CD PRO A 108 -15.636 -11.036 1.575 1.00 9.48 C ATOM 673 OXT PRO A 108 -18.871 -11.236 -1.656 1.00 11.71 O ATOM 0 HA PRO A 108 -17.455 -12.762 -0.389 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -18.456 -11.256 2.045 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -18.296 -12.990 1.846 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -16.585 -11.663 3.395 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -16.018 -12.984 2.393 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -15.743 -10.014 1.938 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -14.577 -11.286 1.633 1.00 9.48 H new TER 681 PRO A 108 ATOM 682 N MET B 1 20.216 2.234 3.955 1.00 3.94 N ATOM 683 CA MET B 1 19.432 2.765 5.093 1.00 3.71 C ATOM 684 C MET B 1 18.347 1.780 5.499 1.00 3.30 C ATOM 685 O MET B 1 17.959 0.912 4.718 1.00 3.21 O ATOM 686 CB MET B 1 18.808 4.119 4.740 1.00 3.98 C ATOM 687 CG MET B 1 17.809 4.068 3.592 1.00 3.93 C ATOM 688 SD MET B 1 17.108 5.688 3.222 1.00 4.45 S ATOM 689 CE MET B 1 15.933 5.268 1.937 1.00 4.38 C ATOM 0 H1 MET B 1 20.679 3.020 3.456 1.00 3.94 H new ATOM 0 H2 MET B 1 20.938 1.575 4.309 1.00 3.94 H new ATOM 0 H3 MET B 1 19.582 1.734 3.300 1.00 3.94 H new ATOM 0 HA MET B 1 20.111 2.906 5.934 1.00 3.71 H new ATOM 0 HB2 MET B 1 18.309 4.517 5.623 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.605 4.817 4.482 1.00 3.98 H new ATOM 0 HG2 MET B 1 18.301 3.676 2.702 1.00 3.93 H new ATOM 0 HG3 MET B 1 17.005 3.376 3.843 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.274 6.117 1.755 1.00 4.38 H new ATOM 0 HE2 MET B 1 16.469 5.021 1.021 1.00 4.38 H new ATOM 0 HE3 MET B 1 15.340 4.410 2.253 1.00 4.38 H new ATOM 701 N GLN B 2 17.858 1.922 6.720 1.00 3.23 N ATOM 702 CA GLN B 2 16.821 1.048 7.242 1.00 3.03 C ATOM 703 C GLN B 2 15.442 1.665 7.043 1.00 2.89 C ATOM 704 O GLN B 2 15.215 2.829 7.382 1.00 3.18 O ATOM 705 CB GLN B 2 17.064 0.775 8.729 1.00 3.32 C ATOM 706 CG GLN B 2 16.038 -0.150 9.363 1.00 3.40 C ATOM 707 CD GLN B 2 16.342 -0.440 10.818 1.00 3.92 C ATOM 708 OE1 GLN B 2 17.017 -1.416 11.146 1.00 4.23 O ATOM 709 NE2 GLN B 2 15.854 0.412 11.704 1.00 4.19 N ATOM 0 H GLN B 2 18.167 2.642 7.374 1.00 3.23 H new ATOM 0 HA GLN B 2 16.858 0.106 6.695 1.00 3.03 H new ATOM 0 HB2 GLN B 2 18.056 0.339 8.851 1.00 3.32 H new ATOM 0 HB3 GLN B 2 17.065 1.723 9.267 1.00 3.32 H new ATOM 0 HG2 GLN B 2 15.049 0.301 9.284 1.00 3.40 H new ATOM 0 HG3 GLN B 2 16.006 -1.087 8.808 1.00 3.40 H new ATOM 0 HE21 GLN B 2 15.299 1.209 11.393 1.00 4.19 H new ATOM 0 HE22 GLN B 2 16.033 0.272 12.698 1.00 4.19 H new ATOM 718 N ILE B 3 14.535 0.889 6.469 1.00 2.59 N ATOM 719 CA ILE B 3 13.174 1.346 6.232 1.00 2.46 C ATOM 720 C ILE B 3 12.188 0.393 6.888 1.00 2.37 C ATOM 721 O ILE B 3 12.521 -0.764 7.159 1.00 2.51 O ATOM 722 CB ILE B 3 12.846 1.456 4.726 1.00 2.36 C ATOM 723 CG1 ILE B 3 13.072 0.110 4.030 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.684 2.550 4.077 1.00 2.82 C ATOM 725 CD1 ILE B 3 12.360 -0.013 2.703 1.00 2.38 C ATOM 0 H ILE B 3 14.718 -0.065 6.157 1.00 2.59 H new ATOM 0 HA ILE B 3 13.089 2.342 6.667 1.00 2.46 H new ATOM 0 HB ILE B 3 11.795 1.723 4.617 1.00 2.36 H new ATOM 0 HG12 ILE B 3 14.141 -0.033 3.874 1.00 2.27 H new ATOM 0 HG13 ILE B 3 12.736 -0.691 4.689 1.00 2.27 H new ATOM 0 HG21 ILE B 3 13.440 2.614 3.016 1.00 2.82 H new ATOM 0 HG22 ILE B 3 13.470 3.505 4.557 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.742 2.315 4.193 1.00 2.82 H new ATOM 0 HD11 ILE B 3 12.566 -0.991 2.269 1.00 2.38 H new ATOM 0 HD12 ILE B 3 11.286 0.098 2.855 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.713 0.766 2.027 1.00 2.38 H new ATOM 737 N PHE B 4 10.987 0.876 7.153 1.00 2.37 N ATOM 738 CA PHE B 4 9.964 0.057 7.780 1.00 2.50 C ATOM 739 C PHE B 4 8.771 -0.107 6.850 1.00 2.11 C ATOM 740 O PHE B 4 8.029 0.844 6.609 1.00 1.98 O ATOM 741 CB PHE B 4 9.512 0.681 9.102 1.00 3.07 C ATOM 742 CG PHE B 4 10.606 0.797 10.128 1.00 3.52 C ATOM 743 CD1 PHE B 4 10.926 -0.278 10.943 1.00 3.82 C ATOM 744 CD2 PHE B 4 11.313 1.980 10.278 1.00 3.79 C ATOM 745 CE1 PHE B 4 11.931 -0.175 11.886 1.00 4.25 C ATOM 746 CE2 PHE B 4 12.320 2.088 11.218 1.00 4.21 C ATOM 747 CZ PHE B 4 12.627 1.010 12.024 1.00 4.39 C ATOM 0 H PHE B 4 10.696 1.831 6.944 1.00 2.37 H new ATOM 0 HA PHE B 4 10.391 -0.925 7.983 1.00 2.50 H new ATOM 0 HB2 PHE B 4 9.107 1.673 8.904 1.00 3.07 H new ATOM 0 HB3 PHE B 4 8.701 0.082 9.516 1.00 3.07 H new ATOM 0 HD1 PHE B 4 10.384 -1.206 10.840 1.00 3.82 H new ATOM 0 HD2 PHE B 4 11.074 2.827 9.653 1.00 3.79 H new ATOM 0 HE1 PHE B 4 12.172 -1.020 12.514 1.00 4.25 H new ATOM 0 HE2 PHE B 4 12.866 3.014 11.322 1.00 4.21 H new ATOM 0 HZ PHE B 4 13.411 1.093 12.762 1.00 4.39 H new ATOM 757 N VAL B 5 8.594 -1.304 6.319 1.00 2.12 N ATOM 758 CA VAL B 5 7.480 -1.573 5.424 1.00 1.86 C ATOM 759 C VAL B 5 6.309 -2.122 6.225 1.00 2.31 C ATOM 760 O VAL B 5 6.307 -3.288 6.628 1.00 2.88 O ATOM 761 CB VAL B 5 7.861 -2.570 4.308 1.00 1.97 C ATOM 762 CG1 VAL B 5 6.731 -2.707 3.298 1.00 1.84 C ATOM 763 CG2 VAL B 5 9.150 -2.140 3.620 1.00 1.92 C ATOM 0 H VAL B 5 9.204 -2.103 6.490 1.00 2.12 H new ATOM 0 HA VAL B 5 7.202 -0.634 4.945 1.00 1.86 H new ATOM 0 HB VAL B 5 8.027 -3.545 4.765 1.00 1.97 H new ATOM 0 HG11 VAL B 5 7.021 -3.414 2.521 1.00 1.84 H new ATOM 0 HG12 VAL B 5 5.835 -3.069 3.802 1.00 1.84 H new ATOM 0 HG13 VAL B 5 6.526 -1.736 2.847 1.00 1.84 H new ATOM 0 HG21 VAL B 5 9.401 -2.856 2.837 1.00 1.92 H new ATOM 0 HG22 VAL B 5 9.015 -1.152 3.179 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.958 -2.104 4.351 1.00 1.92 H new ATOM 773 N LYS B 6 5.324 -1.272 6.467 1.00 2.22 N ATOM 774 CA LYS B 6 4.160 -1.660 7.238 1.00 2.75 C ATOM 775 C LYS B 6 2.919 -1.750 6.364 1.00 2.53 C ATOM 776 O LYS B 6 2.648 -0.875 5.543 1.00 2.01 O ATOM 777 CB LYS B 6 3.917 -0.670 8.381 1.00 3.10 C ATOM 778 CG LYS B 6 2.745 -1.051 9.269 1.00 3.77 C ATOM 779 CD LYS B 6 2.495 -0.017 10.353 1.00 4.23 C ATOM 780 CE LYS B 6 1.267 -0.377 11.168 1.00 4.92 C ATOM 781 NZ LYS B 6 1.139 0.450 12.397 1.00 5.45 N ATOM 0 H LYS B 6 5.310 -0.307 6.138 1.00 2.22 H new ATOM 0 HA LYS B 6 4.358 -2.648 7.654 1.00 2.75 H new ATOM 0 HB2 LYS B 6 4.818 -0.602 8.990 1.00 3.10 H new ATOM 0 HB3 LYS B 6 3.739 0.321 7.962 1.00 3.10 H new ATOM 0 HG2 LYS B 6 1.848 -1.161 8.659 1.00 3.77 H new ATOM 0 HG3 LYS B 6 2.938 -2.020 9.729 1.00 3.77 H new ATOM 0 HD2 LYS B 6 3.365 0.048 11.007 1.00 4.23 H new ATOM 0 HD3 LYS B 6 2.362 0.966 9.901 1.00 4.23 H new ATOM 0 HE2 LYS B 6 0.376 -0.249 10.553 1.00 4.92 H new ATOM 0 HE3 LYS B 6 1.314 -1.430 11.445 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 0.285 0.166 12.919 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 1.976 0.310 12.999 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 1.066 1.454 12.134 1.00 5.45 H new ATOM 795 N THR B 7 2.178 -2.823 6.545 1.00 3.04 N ATOM 796 CA THR B 7 0.949 -3.041 5.808 1.00 3.03 C ATOM 797 C THR B 7 -0.228 -2.513 6.621 1.00 3.25 C ATOM 798 O THR B 7 -0.053 -2.126 7.778 1.00 3.60 O ATOM 799 CB THR B 7 0.748 -4.537 5.517 1.00 3.68 C ATOM 800 OG1 THR B 7 0.798 -5.275 6.741 1.00 4.31 O ATOM 801 CG2 THR B 7 1.822 -5.054 4.574 1.00 3.69 C ATOM 0 H THR B 7 2.408 -3.566 7.204 1.00 3.04 H new ATOM 0 HA THR B 7 1.010 -2.510 4.858 1.00 3.03 H new ATOM 0 HB THR B 7 -0.225 -4.667 5.043 1.00 3.68 H new ATOM 0 HG1 THR B 7 1.712 -5.262 7.094 1.00 4.31 H new ATOM 0 HG21 THR B 7 1.659 -6.115 4.383 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.776 -4.505 3.634 1.00 3.69 H new ATOM 0 HG23 THR B 7 2.803 -4.914 5.028 1.00 3.69 H new ATOM 809 N LEU B 8 -1.418 -2.496 6.038 1.00 3.25 N ATOM 810 CA LEU B 8 -2.594 -2.004 6.750 1.00 3.52 C ATOM 811 C LEU B 8 -3.146 -3.071 7.693 1.00 4.35 C ATOM 812 O LEU B 8 -4.059 -2.815 8.478 1.00 4.72 O ATOM 813 CB LEU B 8 -3.666 -1.533 5.765 1.00 3.31 C ATOM 814 CG LEU B 8 -3.673 -0.024 5.509 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.386 0.298 4.210 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.332 0.706 6.672 1.00 2.72 C ATOM 0 H LEU B 8 -1.597 -2.813 5.085 1.00 3.25 H new ATOM 0 HA LEU B 8 -2.292 -1.148 7.354 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -3.521 -2.049 4.816 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -4.644 -1.829 6.143 1.00 3.31 H new ATOM 0 HG LEU B 8 -2.640 0.314 5.424 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.379 1.376 4.049 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -3.876 -0.196 3.383 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -5.416 -0.054 4.263 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -4.330 1.778 6.477 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -5.359 0.359 6.784 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.779 0.503 7.589 1.00 2.72 H new ATOM 828 N THR B 9 -2.588 -4.269 7.607 1.00 4.73 N ATOM 829 CA THR B 9 -2.995 -5.366 8.465 1.00 5.55 C ATOM 830 C THR B 9 -2.210 -5.318 9.775 1.00 5.75 C ATOM 831 O THR B 9 -2.698 -5.730 10.828 1.00 6.45 O ATOM 832 CB THR B 9 -2.770 -6.721 7.765 1.00 5.98 C ATOM 833 OG1 THR B 9 -3.435 -6.717 6.495 1.00 5.57 O ATOM 834 CG2 THR B 9 -3.291 -7.871 8.614 1.00 6.63 C ATOM 0 H THR B 9 -1.847 -4.505 6.946 1.00 4.73 H new ATOM 0 HA THR B 9 -4.059 -5.263 8.678 1.00 5.55 H new ATOM 0 HB THR B 9 -1.699 -6.863 7.623 1.00 5.98 H new ATOM 0 HG1 THR B 9 -4.322 -7.123 6.589 1.00 5.57 H new ATOM 0 HG21 THR B 9 -3.119 -8.814 8.095 1.00 6.63 H new ATOM 0 HG22 THR B 9 -2.769 -7.883 9.571 1.00 6.63 H new ATOM 0 HG23 THR B 9 -4.360 -7.741 8.786 1.00 6.63 H new ATOM 842 N GLY B 10 -1.000 -4.777 9.700 1.00 5.22 N ATOM 843 CA GLY B 10 -0.152 -4.681 10.869 1.00 5.46 C ATOM 844 C GLY B 10 1.230 -5.233 10.603 1.00 5.45 C ATOM 845 O GLY B 10 2.195 -4.860 11.269 1.00 5.66 O ATOM 0 H GLY B 10 -0.591 -4.402 8.844 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -0.074 -3.639 11.178 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -0.609 -5.225 11.696 1.00 5.46 H new ATOM 849 N LYS B 11 1.320 -6.115 9.610 1.00 5.32 N ATOM 850 CA LYS B 11 2.587 -6.733 9.236 1.00 5.39 C ATOM 851 C LYS B 11 3.629 -5.670 8.902 1.00 4.77 C ATOM 852 O LYS B 11 3.430 -4.857 7.998 1.00 4.21 O ATOM 853 CB LYS B 11 2.395 -7.666 8.033 1.00 5.58 C ATOM 854 CG LYS B 11 3.693 -8.251 7.494 1.00 5.83 C ATOM 855 CD LYS B 11 3.678 -8.348 5.973 1.00 6.11 C ATOM 856 CE LYS B 11 2.777 -9.472 5.486 1.00 6.82 C ATOM 857 NZ LYS B 11 3.376 -10.806 5.733 1.00 6.90 N ATOM 0 H LYS B 11 0.525 -6.418 9.048 1.00 5.32 H new ATOM 0 HA LYS B 11 2.941 -7.317 10.086 1.00 5.39 H new ATOM 0 HB2 LYS B 11 1.732 -8.482 8.320 1.00 5.58 H new ATOM 0 HB3 LYS B 11 1.896 -7.116 7.235 1.00 5.58 H new ATOM 0 HG2 LYS B 11 4.531 -7.631 7.811 1.00 5.83 H new ATOM 0 HG3 LYS B 11 3.851 -9.242 7.920 1.00 5.83 H new ATOM 0 HD2 LYS B 11 3.338 -7.402 5.552 1.00 6.11 H new ATOM 0 HD3 LYS B 11 4.692 -8.512 5.610 1.00 6.11 H new ATOM 0 HE2 LYS B 11 1.812 -9.408 5.989 1.00 6.82 H new ATOM 0 HE3 LYS B 11 2.589 -9.350 4.419 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 2.849 -11.527 5.200 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 4.369 -10.803 5.424 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 3.330 -11.024 6.749 1.00 6.90 H new ATOM 871 N THR B 12 4.718 -5.677 9.650 1.00 4.90 N ATOM 872 CA THR B 12 5.804 -4.735 9.447 1.00 4.39 C ATOM 873 C THR B 12 7.097 -5.498 9.193 1.00 4.49 C ATOM 874 O THR B 12 7.576 -6.221 10.065 1.00 5.01 O ATOM 875 CB THR B 12 5.976 -3.817 10.673 1.00 4.56 C ATOM 876 OG1 THR B 12 4.689 -3.384 11.136 1.00 4.81 O ATOM 877 CG2 THR B 12 6.834 -2.603 10.340 1.00 4.02 C ATOM 0 H THR B 12 4.874 -6.335 10.414 1.00 4.90 H new ATOM 0 HA THR B 12 5.565 -4.113 8.584 1.00 4.39 H new ATOM 0 HB THR B 12 6.480 -4.386 11.455 1.00 4.56 H new ATOM 0 HG1 THR B 12 4.801 -2.802 11.916 1.00 4.81 H new ATOM 0 HG21 THR B 12 6.936 -1.976 11.226 1.00 4.02 H new ATOM 0 HG22 THR B 12 7.820 -2.933 10.013 1.00 4.02 H new ATOM 0 HG23 THR B 12 6.360 -2.030 9.542 1.00 4.02 H new ATOM 885 N ILE B 13 7.653 -5.353 8.002 1.00 4.04 N ATOM 886 CA ILE B 13 8.878 -6.058 7.655 1.00 4.20 C ATOM 887 C ILE B 13 10.033 -5.092 7.453 1.00 3.72 C ATOM 888 O ILE B 13 9.828 -3.908 7.174 1.00 3.18 O ATOM 889 CB ILE B 13 8.700 -6.918 6.385 1.00 4.30 C ATOM 890 CG1 ILE B 13 8.330 -6.038 5.188 1.00 3.68 C ATOM 891 CG2 ILE B 13 7.643 -7.986 6.621 1.00 4.88 C ATOM 892 CD1 ILE B 13 8.325 -6.777 3.867 1.00 3.94 C ATOM 0 H ILE B 13 7.280 -4.758 7.263 1.00 4.04 H new ATOM 0 HA ILE B 13 9.108 -6.716 8.493 1.00 4.20 H new ATOM 0 HB ILE B 13 9.645 -7.412 6.160 1.00 4.30 H new ATOM 0 HG12 ILE B 13 7.343 -5.607 5.357 1.00 3.68 H new ATOM 0 HG13 ILE B 13 9.034 -5.208 5.127 1.00 3.68 H new ATOM 0 HG21 ILE B 13 7.525 -8.587 5.719 1.00 4.88 H new ATOM 0 HG22 ILE B 13 7.952 -8.627 7.447 1.00 4.88 H new ATOM 0 HG23 ILE B 13 6.694 -7.510 6.867 1.00 4.88 H new ATOM 0 HD11 ILE B 13 8.054 -6.089 3.066 1.00 3.94 H new ATOM 0 HD12 ILE B 13 9.317 -7.185 3.675 1.00 3.94 H new ATOM 0 HD13 ILE B 13 7.600 -7.590 3.908 1.00 3.94 H new ATOM 904 N THR B 14 11.240 -5.606 7.613 1.00 3.98 N ATOM 905 CA THR B 14 12.443 -4.816 7.448 1.00 3.64 C ATOM 906 C THR B 14 13.058 -5.058 6.076 1.00 3.52 C ATOM 907 O THR B 14 12.916 -6.146 5.506 1.00 3.96 O ATOM 908 CB THR B 14 13.472 -5.161 8.538 1.00 4.07 C ATOM 909 OG1 THR B 14 13.250 -6.499 9.009 1.00 4.66 O ATOM 910 CG2 THR B 14 13.377 -4.186 9.700 1.00 4.07 C ATOM 0 H THR B 14 11.411 -6.581 7.860 1.00 3.98 H new ATOM 0 HA THR B 14 12.169 -3.765 7.537 1.00 3.64 H new ATOM 0 HB THR B 14 14.470 -5.087 8.106 1.00 4.07 H new ATOM 0 HG1 THR B 14 13.908 -6.715 9.702 1.00 4.66 H new ATOM 0 HG21 THR B 14 14.114 -4.450 10.458 1.00 4.07 H new ATOM 0 HG22 THR B 14 13.570 -3.174 9.343 1.00 4.07 H new ATOM 0 HG23 THR B 14 12.378 -4.233 10.134 1.00 4.07 H new ATOM 918 N LEU B 15 13.731 -4.047 5.546 1.00 3.09 N ATOM 919 CA LEU B 15 14.364 -4.153 4.244 1.00 3.19 C ATOM 920 C LEU B 15 15.577 -3.233 4.168 1.00 3.10 C ATOM 921 O LEU B 15 15.489 -2.046 4.493 1.00 2.80 O ATOM 922 CB LEU B 15 13.367 -3.795 3.141 1.00 3.02 C ATOM 923 CG LEU B 15 13.553 -4.551 1.824 1.00 3.52 C ATOM 924 CD1 LEU B 15 13.158 -6.012 1.982 1.00 4.02 C ATOM 925 CD2 LEU B 15 12.746 -3.890 0.719 1.00 3.47 C ATOM 0 H LEU B 15 13.852 -3.142 6.001 1.00 3.09 H new ATOM 0 HA LEU B 15 14.694 -5.182 4.102 1.00 3.19 H new ATOM 0 HB2 LEU B 15 12.359 -3.983 3.510 1.00 3.02 H new ATOM 0 HB3 LEU B 15 13.439 -2.726 2.941 1.00 3.02 H new ATOM 0 HG LEU B 15 14.607 -4.515 1.550 1.00 3.52 H new ATOM 0 HD11 LEU B 15 13.298 -6.531 1.034 1.00 4.02 H new ATOM 0 HD12 LEU B 15 13.781 -6.477 2.746 1.00 4.02 H new ATOM 0 HD13 LEU B 15 12.111 -6.076 2.280 1.00 4.02 H new ATOM 0 HD21 LEU B 15 12.887 -4.438 -0.213 1.00 3.47 H new ATOM 0 HD22 LEU B 15 11.689 -3.896 0.987 1.00 3.47 H new ATOM 0 HD23 LEU B 15 13.081 -2.861 0.589 1.00 3.47 H new ATOM 937 N GLU B 16 16.709 -3.783 3.759 1.00 3.49 N ATOM 938 CA GLU B 16 17.926 -2.999 3.633 1.00 3.55 C ATOM 939 C GLU B 16 18.048 -2.449 2.216 1.00 3.81 C ATOM 940 O GLU B 16 18.393 -3.175 1.277 1.00 4.27 O ATOM 941 CB GLU B 16 19.154 -3.838 3.989 1.00 3.90 C ATOM 942 CG GLU B 16 19.167 -4.306 5.435 1.00 3.90 C ATOM 943 CD GLU B 16 20.507 -4.875 5.855 1.00 4.28 C ATOM 944 OE1 GLU B 16 20.778 -6.059 5.563 1.00 4.63 O ATOM 945 OE2 GLU B 16 21.293 -4.141 6.490 1.00 4.35 O ATOM 0 H GLU B 16 16.810 -4.767 3.509 1.00 3.49 H new ATOM 0 HA GLU B 16 17.874 -2.165 4.332 1.00 3.55 H new ATOM 0 HB2 GLU B 16 19.193 -4.708 3.333 1.00 3.90 H new ATOM 0 HB3 GLU B 16 20.053 -3.253 3.796 1.00 3.90 H new ATOM 0 HG2 GLU B 16 18.913 -3.469 6.085 1.00 3.90 H new ATOM 0 HG3 GLU B 16 18.396 -5.064 5.574 1.00 3.90 H new ATOM 952 N VAL B 17 17.722 -1.175 2.062 1.00 3.69 N ATOM 953 CA VAL B 17 17.784 -0.513 0.766 1.00 4.13 C ATOM 954 C VAL B 17 18.516 0.817 0.882 1.00 4.32 C ATOM 955 O VAL B 17 18.635 1.374 1.973 1.00 4.09 O ATOM 956 CB VAL B 17 16.376 -0.255 0.185 1.00 4.08 C ATOM 957 CG1 VAL B 17 15.650 -1.562 -0.081 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.559 0.626 1.118 1.00 3.58 C ATOM 0 H VAL B 17 17.409 -0.574 2.824 1.00 3.69 H new ATOM 0 HA VAL B 17 18.323 -1.181 0.094 1.00 4.13 H new ATOM 0 HB VAL B 17 16.497 0.268 -0.764 1.00 4.08 H new ATOM 0 HG11 VAL B 17 14.661 -1.352 -0.490 1.00 4.20 H new ATOM 0 HG12 VAL B 17 16.220 -2.156 -0.796 1.00 4.20 H new ATOM 0 HG13 VAL B 17 15.547 -2.117 0.851 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.572 0.794 0.688 1.00 3.58 H new ATOM 0 HG22 VAL B 17 15.455 0.134 2.085 1.00 3.58 H new ATOM 0 HG23 VAL B 17 16.064 1.583 1.251 1.00 3.58 H new ATOM 968 N GLU B 18 19.000 1.325 -0.237 1.00 4.88 N ATOM 969 CA GLU B 18 19.705 2.596 -0.256 1.00 5.24 C ATOM 970 C GLU B 18 18.873 3.630 -1.008 1.00 5.46 C ATOM 971 O GLU B 18 17.969 3.266 -1.753 1.00 5.46 O ATOM 972 CB GLU B 18 21.077 2.433 -0.913 1.00 5.81 C ATOM 973 CG GLU B 18 21.972 1.418 -0.218 1.00 5.71 C ATOM 974 CD GLU B 18 22.147 1.701 1.259 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.144 2.886 1.646 1.00 5.63 O ATOM 976 OE2 GLU B 18 22.295 0.740 2.041 1.00 5.09 O ATOM 0 H GLU B 18 18.918 0.875 -1.149 1.00 4.88 H new ATOM 0 HA GLU B 18 19.856 2.937 0.768 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.939 2.131 -1.951 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.581 3.400 -0.926 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.549 0.421 -0.344 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.950 1.413 -0.700 1.00 5.71 H new ATOM 983 N PRO B 19 19.148 4.933 -0.822 1.00 5.75 N ATOM 984 CA PRO B 19 18.403 6.001 -1.507 1.00 6.08 C ATOM 985 C PRO B 19 18.510 5.903 -3.031 1.00 6.61 C ATOM 986 O PRO B 19 17.680 6.445 -3.760 1.00 6.79 O ATOM 987 CB PRO B 19 19.066 7.288 -1.005 1.00 6.47 C ATOM 988 CG PRO B 19 19.752 6.901 0.263 1.00 6.13 C ATOM 989 CD PRO B 19 20.180 5.476 0.081 1.00 5.84 C ATOM 0 HA PRO B 19 17.336 5.948 -1.293 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.776 7.677 -1.735 1.00 6.47 H new ATOM 0 HB3 PRO B 19 18.327 8.070 -0.831 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.610 7.545 0.455 1.00 6.13 H new ATOM 0 HG3 PRO B 19 19.081 7.001 1.116 1.00 6.13 H new ATOM 0 HD2 PRO B 19 21.176 5.406 -0.356 1.00 5.84 H new ATOM 0 HD3 PRO B 19 20.210 4.939 1.029 1.00 5.84 H new ATOM 997 N SER B 20 19.537 5.203 -3.497 1.00 6.88 N ATOM 998 CA SER B 20 19.773 5.019 -4.924 1.00 7.46 C ATOM 999 C SER B 20 18.954 3.856 -5.486 1.00 7.30 C ATOM 1000 O SER B 20 18.987 3.588 -6.689 1.00 7.78 O ATOM 1001 CB SER B 20 21.261 4.760 -5.151 1.00 7.90 C ATOM 1002 OG SER B 20 21.967 4.803 -3.921 1.00 7.58 O ATOM 0 H SER B 20 20.227 4.748 -2.899 1.00 6.88 H new ATOM 0 HA SER B 20 19.461 5.924 -5.445 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.399 3.787 -5.622 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.666 5.506 -5.835 1.00 7.90 H new ATOM 0 HG SER B 20 22.918 4.633 -4.084 1.00 7.58 H new ATOM 1008 N ASP B 21 18.218 3.176 -4.620 1.00 6.67 N ATOM 1009 CA ASP B 21 17.406 2.042 -5.035 1.00 6.54 C ATOM 1010 C ASP B 21 16.084 2.499 -5.625 1.00 6.58 C ATOM 1011 O ASP B 21 15.435 3.410 -5.104 1.00 6.35 O ATOM 1012 CB ASP B 21 17.143 1.102 -3.856 1.00 5.90 C ATOM 1013 CG ASP B 21 18.209 0.038 -3.713 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.205 -0.923 -4.513 1.00 6.52 O ATOM 1015 OD2 ASP B 21 19.064 0.157 -2.806 1.00 5.79 O ATOM 0 H ASP B 21 18.166 3.390 -3.624 1.00 6.67 H new ATOM 0 HA ASP B 21 17.964 1.505 -5.802 1.00 6.54 H new ATOM 0 HB2 ASP B 21 17.090 1.684 -2.936 1.00 5.90 H new ATOM 0 HB3 ASP B 21 16.172 0.624 -3.987 1.00 5.90 H new ATOM 1020 N THR B 22 15.705 1.874 -6.727 1.00 6.93 N ATOM 1021 CA THR B 22 14.456 2.179 -7.391 1.00 7.01 C ATOM 1022 C THR B 22 13.317 1.432 -6.711 1.00 6.40 C ATOM 1023 O THR B 22 13.535 0.381 -6.097 1.00 6.11 O ATOM 1024 CB THR B 22 14.518 1.782 -8.876 1.00 7.68 C ATOM 1025 OG1 THR B 22 15.482 0.737 -9.054 1.00 7.91 O ATOM 1026 CG2 THR B 22 14.890 2.972 -9.746 1.00 8.28 C ATOM 0 H THR B 22 16.254 1.145 -7.182 1.00 6.93 H new ATOM 0 HA THR B 22 14.282 3.253 -7.324 1.00 7.01 H new ATOM 0 HB THR B 22 13.531 1.432 -9.178 1.00 7.68 H new ATOM 0 HG1 THR B 22 15.519 0.484 -10.000 1.00 7.91 H new ATOM 0 HG21 THR B 22 14.926 2.662 -10.790 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.144 3.758 -9.626 1.00 8.28 H new ATOM 0 HG23 THR B 22 15.867 3.351 -9.446 1.00 8.28 H new ATOM 1034 N ILE B 23 12.107 1.967 -6.817 1.00 6.25 N ATOM 1035 CA ILE B 23 10.938 1.338 -6.208 1.00 5.69 C ATOM 1036 C ILE B 23 10.755 -0.084 -6.739 1.00 5.85 C ATOM 1037 O ILE B 23 10.303 -0.977 -6.020 1.00 5.45 O ATOM 1038 CB ILE B 23 9.660 2.167 -6.464 1.00 5.64 C ATOM 1039 CG1 ILE B 23 9.837 3.596 -5.934 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.441 1.506 -5.828 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.127 3.670 -4.449 1.00 5.05 C ATOM 0 H ILE B 23 11.908 2.833 -7.318 1.00 6.25 H new ATOM 0 HA ILE B 23 11.108 1.295 -5.132 1.00 5.69 H new ATOM 0 HB ILE B 23 9.493 2.212 -7.540 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.651 4.076 -6.477 1.00 5.64 H new ATOM 0 HG13 ILE B 23 8.932 4.166 -6.146 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.556 2.111 -6.024 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.303 0.512 -6.253 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.593 1.422 -4.752 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.239 4.713 -4.152 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.303 3.221 -3.895 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.048 3.130 -4.231 1.00 5.05 H new ATOM 1053 N GLU B 24 11.135 -0.283 -7.995 1.00 6.53 N ATOM 1054 CA GLU B 24 11.039 -1.587 -8.633 1.00 6.87 C ATOM 1055 C GLU B 24 11.906 -2.611 -7.901 1.00 6.77 C ATOM 1056 O GLU B 24 11.463 -3.725 -7.619 1.00 6.75 O ATOM 1057 CB GLU B 24 11.469 -1.486 -10.095 1.00 7.65 C ATOM 1058 CG GLU B 24 11.390 -2.799 -10.854 1.00 8.08 C ATOM 1059 CD GLU B 24 11.783 -2.647 -12.305 1.00 8.84 C ATOM 1060 OE1 GLU B 24 12.918 -2.204 -12.574 1.00 9.13 O ATOM 1061 OE2 GLU B 24 10.962 -2.970 -13.182 1.00 9.18 O ATOM 0 H GLU B 24 11.515 0.449 -8.595 1.00 6.53 H new ATOM 0 HA GLU B 24 10.002 -1.919 -8.588 1.00 6.87 H new ATOM 0 HB2 GLU B 24 10.842 -0.749 -10.597 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.493 -1.115 -10.137 1.00 7.65 H new ATOM 0 HG2 GLU B 24 12.042 -3.531 -10.378 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.374 -3.190 -10.794 1.00 8.08 H new ATOM 1068 N ASN B 25 13.137 -2.217 -7.574 1.00 6.77 N ATOM 1069 CA ASN B 25 14.062 -3.107 -6.877 1.00 6.71 C ATOM 1070 C ASN B 25 13.568 -3.390 -5.465 1.00 6.02 C ATOM 1071 O ASN B 25 13.752 -4.490 -4.943 1.00 6.03 O ATOM 1072 CB ASN B 25 15.470 -2.509 -6.817 1.00 6.89 C ATOM 1073 CG ASN B 25 16.526 -3.565 -6.544 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.436 -4.691 -7.031 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.525 -3.214 -5.754 1.00 6.86 N ATOM 0 H ASN B 25 13.514 -1.292 -7.780 1.00 6.77 H new ATOM 0 HA ASN B 25 14.106 -4.040 -7.438 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.692 -2.010 -7.760 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.508 -1.749 -6.037 1.00 6.89 H new ATOM 0 HD21 ASN B 25 18.257 -3.887 -5.528 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.564 -2.270 -5.370 1.00 6.86 H new ATOM 1082 N VAL B 26 12.938 -2.390 -4.853 1.00 5.50 N ATOM 1083 CA VAL B 26 12.402 -2.530 -3.507 1.00 4.81 C ATOM 1084 C VAL B 26 11.341 -3.626 -3.481 1.00 4.82 C ATOM 1085 O VAL B 26 11.317 -4.468 -2.581 1.00 4.68 O ATOM 1086 CB VAL B 26 11.794 -1.200 -3.001 1.00 4.33 C ATOM 1087 CG1 VAL B 26 11.196 -1.370 -1.612 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.845 -0.098 -3.000 1.00 4.48 C ATOM 0 H VAL B 26 12.787 -1.472 -5.272 1.00 5.50 H new ATOM 0 HA VAL B 26 13.224 -2.801 -2.844 1.00 4.81 H new ATOM 0 HB VAL B 26 10.993 -0.913 -3.682 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.775 -0.421 -1.278 1.00 3.62 H new ATOM 0 HG12 VAL B 26 10.410 -2.124 -1.644 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.974 -1.686 -0.917 1.00 3.62 H new ATOM 0 HG21 VAL B 26 12.399 0.830 -2.641 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.669 -0.382 -2.345 1.00 4.48 H new ATOM 0 HG23 VAL B 26 13.220 0.048 -4.013 1.00 4.48 H new ATOM 1098 N LYS B 27 10.483 -3.621 -4.499 1.00 5.10 N ATOM 1099 CA LYS B 27 9.421 -4.613 -4.617 1.00 5.22 C ATOM 1100 C LYS B 27 10.004 -6.013 -4.770 1.00 5.78 C ATOM 1101 O LYS B 27 9.515 -6.972 -4.166 1.00 5.83 O ATOM 1102 CB LYS B 27 8.518 -4.292 -5.809 1.00 5.53 C ATOM 1103 CG LYS B 27 7.671 -3.047 -5.611 1.00 5.06 C ATOM 1104 CD LYS B 27 6.816 -2.768 -6.834 1.00 5.45 C ATOM 1105 CE LYS B 27 5.859 -1.615 -6.594 1.00 5.06 C ATOM 1106 NZ LYS B 27 5.013 -1.348 -7.781 1.00 5.50 N ATOM 0 H LYS B 27 10.504 -2.937 -5.256 1.00 5.10 H new ATOM 0 HA LYS B 27 8.826 -4.581 -3.704 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.136 -4.164 -6.698 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.862 -5.142 -5.997 1.00 5.53 H new ATOM 0 HG2 LYS B 27 7.031 -3.174 -4.737 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.317 -2.192 -5.412 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.459 -2.537 -7.683 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.251 -3.663 -7.096 1.00 5.45 H new ATOM 0 HE2 LYS B 27 5.224 -1.842 -5.738 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.425 -0.719 -6.342 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 4.130 -0.888 -7.481 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.523 -0.723 -8.438 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.792 -2.245 -8.258 1.00 5.50 H new ATOM 1120 N ALA B 28 11.048 -6.125 -5.580 1.00 6.27 N ATOM 1121 CA ALA B 28 11.709 -7.403 -5.802 1.00 6.84 C ATOM 1122 C ALA B 28 12.297 -7.924 -4.495 1.00 6.63 C ATOM 1123 O ALA B 28 12.206 -9.112 -4.184 1.00 6.99 O ATOM 1124 CB ALA B 28 12.792 -7.264 -6.861 1.00 7.35 C ATOM 0 H ALA B 28 11.456 -5.345 -6.095 1.00 6.27 H new ATOM 0 HA ALA B 28 10.972 -8.122 -6.161 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.276 -8.228 -7.015 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.345 -6.929 -7.797 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.532 -6.535 -6.531 1.00 7.35 H new ATOM 1130 N LYS B 29 12.880 -7.011 -3.725 1.00 6.10 N ATOM 1131 CA LYS B 29 13.472 -7.353 -2.439 1.00 5.90 C ATOM 1132 C LYS B 29 12.401 -7.876 -1.486 1.00 5.68 C ATOM 1133 O LYS B 29 12.623 -8.842 -0.755 1.00 5.96 O ATOM 1134 CB LYS B 29 14.171 -6.132 -1.839 1.00 5.38 C ATOM 1135 CG LYS B 29 15.553 -5.869 -2.417 1.00 5.69 C ATOM 1136 CD LYS B 29 16.081 -4.505 -2.004 1.00 5.31 C ATOM 1137 CE LYS B 29 17.599 -4.435 -2.091 1.00 5.69 C ATOM 1138 NZ LYS B 29 18.254 -5.053 -0.905 1.00 5.63 N ATOM 0 H LYS B 29 12.955 -6.024 -3.972 1.00 6.10 H new ATOM 0 HA LYS B 29 14.213 -8.138 -2.591 1.00 5.90 H new ATOM 0 HB2 LYS B 29 13.547 -5.253 -2.000 1.00 5.38 H new ATOM 0 HB3 LYS B 29 14.258 -6.268 -0.761 1.00 5.38 H new ATOM 0 HG2 LYS B 29 16.242 -6.644 -2.081 1.00 5.69 H new ATOM 0 HG3 LYS B 29 15.511 -5.930 -3.504 1.00 5.69 H new ATOM 0 HD2 LYS B 29 15.645 -3.738 -2.644 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.765 -4.287 -0.984 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.934 -4.942 -2.996 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.910 -3.394 -2.175 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 19.222 -5.340 -1.153 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 18.286 -4.363 -0.127 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.712 -5.888 -0.605 1.00 5.63 H new ATOM 1152 N ILE B 30 11.237 -7.236 -1.504 1.00 5.27 N ATOM 1153 CA ILE B 30 10.123 -7.643 -0.659 1.00 5.11 C ATOM 1154 C ILE B 30 9.588 -9.003 -1.106 1.00 5.80 C ATOM 1155 O ILE B 30 9.336 -9.883 -0.283 1.00 6.03 O ATOM 1156 CB ILE B 30 8.979 -6.601 -0.681 1.00 4.53 C ATOM 1157 CG1 ILE B 30 9.455 -5.282 -0.069 1.00 3.87 C ATOM 1158 CG2 ILE B 30 7.755 -7.121 0.066 1.00 4.48 C ATOM 1159 CD1 ILE B 30 8.461 -4.151 -0.212 1.00 3.34 C ATOM 0 H ILE B 30 11.041 -6.430 -2.098 1.00 5.27 H new ATOM 0 HA ILE B 30 10.496 -7.715 0.362 1.00 5.11 H new ATOM 0 HB ILE B 30 8.694 -6.426 -1.719 1.00 4.53 H new ATOM 0 HG12 ILE B 30 9.665 -5.438 0.989 1.00 3.87 H new ATOM 0 HG13 ILE B 30 10.394 -4.991 -0.541 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.965 -6.371 0.036 1.00 4.48 H new ATOM 0 HG22 ILE B 30 7.403 -8.038 -0.407 1.00 4.48 H new ATOM 0 HG23 ILE B 30 8.022 -7.326 1.103 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.868 -3.249 0.245 1.00 3.34 H new ATOM 0 HD12 ILE B 30 8.269 -3.967 -1.269 1.00 3.34 H new ATOM 0 HD13 ILE B 30 7.529 -4.421 0.285 1.00 3.34 H new ATOM 1171 N GLN B 31 9.455 -9.180 -2.416 1.00 6.20 N ATOM 1172 CA GLN B 31 8.945 -10.427 -2.981 1.00 6.89 C ATOM 1173 C GLN B 31 9.812 -11.618 -2.587 1.00 7.42 C ATOM 1174 O GLN B 31 9.299 -12.692 -2.283 1.00 7.92 O ATOM 1175 CB GLN B 31 8.867 -10.340 -4.507 1.00 7.24 C ATOM 1176 CG GLN B 31 8.405 -11.635 -5.158 1.00 7.96 C ATOM 1177 CD GLN B 31 8.411 -11.577 -6.670 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.191 -10.841 -7.276 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.552 -12.368 -7.286 1.00 8.89 N ATOM 0 H GLN B 31 9.694 -8.473 -3.111 1.00 6.20 H new ATOM 0 HA GLN B 31 7.945 -10.576 -2.575 1.00 6.89 H new ATOM 0 HB2 GLN B 31 8.184 -9.537 -4.784 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.848 -10.073 -4.900 1.00 7.24 H new ATOM 0 HG2 GLN B 31 9.050 -12.450 -4.829 1.00 7.96 H new ATOM 0 HG3 GLN B 31 7.397 -11.868 -4.814 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.925 -12.961 -6.743 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.516 -12.386 -8.305 1.00 8.89 H new ATOM 1188 N ASP B 32 11.119 -11.414 -2.573 1.00 7.32 N ATOM 1189 CA ASP B 32 12.060 -12.479 -2.236 1.00 7.80 C ATOM 1190 C ASP B 32 11.822 -13.044 -0.836 1.00 7.78 C ATOM 1191 O ASP B 32 12.019 -14.235 -0.602 1.00 8.36 O ATOM 1192 CB ASP B 32 13.501 -11.967 -2.345 1.00 7.68 C ATOM 1193 CG ASP B 32 14.529 -13.070 -2.167 1.00 8.20 C ATOM 1194 OD1 ASP B 32 14.759 -13.838 -3.124 1.00 8.79 O ATOM 1195 OD2 ASP B 32 15.125 -13.167 -1.074 1.00 8.05 O ATOM 0 H ASP B 32 11.557 -10.519 -2.791 1.00 7.32 H new ATOM 0 HA ASP B 32 11.897 -13.286 -2.951 1.00 7.80 H new ATOM 0 HB2 ASP B 32 13.643 -11.497 -3.318 1.00 7.68 H new ATOM 0 HB3 ASP B 32 13.667 -11.196 -1.592 1.00 7.68 H new ATOM 1200 N LYS B 33 11.374 -12.203 0.090 1.00 7.19 N ATOM 1201 CA LYS B 33 11.157 -12.655 1.465 1.00 7.24 C ATOM 1202 C LYS B 33 9.676 -12.825 1.824 1.00 7.31 C ATOM 1203 O LYS B 33 9.348 -13.571 2.748 1.00 7.78 O ATOM 1204 CB LYS B 33 11.815 -11.690 2.453 1.00 6.67 C ATOM 1205 CG LYS B 33 11.545 -10.220 2.160 1.00 5.91 C ATOM 1206 CD LYS B 33 11.806 -9.353 3.382 1.00 5.41 C ATOM 1207 CE LYS B 33 13.246 -9.472 3.861 1.00 5.44 C ATOM 1208 NZ LYS B 33 13.419 -8.947 5.240 1.00 5.21 N ATOM 0 H LYS B 33 11.156 -11.221 -0.079 1.00 7.19 H new ATOM 0 HA LYS B 33 11.618 -13.640 1.536 1.00 7.24 H new ATOM 0 HB2 LYS B 33 11.462 -11.920 3.458 1.00 6.67 H new ATOM 0 HB3 LYS B 33 12.892 -11.859 2.447 1.00 6.67 H new ATOM 0 HG2 LYS B 33 12.177 -9.890 1.336 1.00 5.91 H new ATOM 0 HG3 LYS B 33 10.511 -10.096 1.838 1.00 5.91 H new ATOM 0 HD2 LYS B 33 11.587 -8.312 3.143 1.00 5.41 H new ATOM 0 HD3 LYS B 33 11.130 -9.645 4.186 1.00 5.41 H new ATOM 0 HE2 LYS B 33 13.553 -10.517 3.830 1.00 5.44 H new ATOM 0 HE3 LYS B 33 13.901 -8.927 3.181 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 14.398 -9.108 5.553 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 13.216 -7.927 5.251 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 12.765 -9.437 5.883 1.00 5.21 H new ATOM 1222 N GLU B 34 8.784 -12.154 1.111 1.00 6.89 N ATOM 1223 CA GLU B 34 7.354 -12.248 1.416 1.00 6.93 C ATOM 1224 C GLU B 34 6.606 -13.162 0.447 1.00 7.47 C ATOM 1225 O GLU B 34 5.530 -13.665 0.770 1.00 7.85 O ATOM 1226 CB GLU B 34 6.715 -10.860 1.409 1.00 6.19 C ATOM 1227 CG GLU B 34 7.046 -10.033 2.641 1.00 5.76 C ATOM 1228 CD GLU B 34 6.635 -10.717 3.929 1.00 6.20 C ATOM 1229 OE1 GLU B 34 5.446 -11.065 4.071 1.00 6.35 O ATOM 1230 OE2 GLU B 34 7.500 -10.908 4.810 1.00 6.48 O ATOM 0 H GLU B 34 9.015 -11.545 0.326 1.00 6.89 H new ATOM 0 HA GLU B 34 7.274 -12.687 2.410 1.00 6.93 H new ATOM 0 HB2 GLU B 34 7.045 -10.322 0.521 1.00 6.19 H new ATOM 0 HB3 GLU B 34 5.633 -10.967 1.333 1.00 6.19 H new ATOM 0 HG2 GLU B 34 8.118 -9.836 2.665 1.00 5.76 H new ATOM 0 HG3 GLU B 34 6.546 -9.067 2.571 1.00 5.76 H new ATOM 1237 N GLY B 35 7.161 -13.364 -0.738 1.00 7.55 N ATOM 1238 CA GLY B 35 6.511 -14.208 -1.726 1.00 8.09 C ATOM 1239 C GLY B 35 5.368 -13.492 -2.425 1.00 7.80 C ATOM 1240 O GLY B 35 4.585 -14.103 -3.152 1.00 8.21 O ATOM 0 H GLY B 35 8.049 -12.960 -1.036 1.00 7.55 H new ATOM 0 HA2 GLY B 35 7.244 -14.529 -2.466 1.00 8.09 H new ATOM 0 HA3 GLY B 35 6.132 -15.108 -1.241 1.00 8.09 H new ATOM 1244 N ILE B 36 5.275 -12.190 -2.205 1.00 7.10 N ATOM 1245 CA ILE B 36 4.225 -11.385 -2.808 1.00 6.77 C ATOM 1246 C ILE B 36 4.727 -10.729 -4.088 1.00 6.83 C ATOM 1247 O ILE B 36 5.659 -9.927 -4.051 1.00 6.60 O ATOM 1248 CB ILE B 36 3.718 -10.297 -1.835 1.00 5.99 C ATOM 1249 CG1 ILE B 36 3.218 -10.943 -0.537 1.00 6.04 C ATOM 1250 CG2 ILE B 36 2.613 -9.476 -2.486 1.00 5.67 C ATOM 1251 CD1 ILE B 36 3.020 -9.961 0.599 1.00 5.35 C ATOM 0 H ILE B 36 5.917 -11.666 -1.610 1.00 7.10 H new ATOM 0 HA ILE B 36 3.395 -12.052 -3.042 1.00 6.77 H new ATOM 0 HB ILE B 36 4.544 -9.628 -1.594 1.00 5.99 H new ATOM 0 HG12 ILE B 36 2.274 -11.450 -0.735 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.930 -11.707 -0.225 1.00 6.04 H new ATOM 0 HG21 ILE B 36 2.267 -8.714 -1.788 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.998 -8.996 -3.386 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.782 -10.130 -2.751 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.666 -10.493 1.482 1.00 5.35 H new ATOM 0 HD12 ILE B 36 3.967 -9.471 0.826 1.00 5.35 H new ATOM 0 HD13 ILE B 36 2.285 -9.211 0.308 1.00 5.35 H new ATOM 1263 N PRO B 37 4.124 -11.073 -5.235 1.00 7.22 N ATOM 1264 CA PRO B 37 4.515 -10.510 -6.529 1.00 7.44 C ATOM 1265 C PRO B 37 4.376 -8.988 -6.561 1.00 6.84 C ATOM 1266 O PRO B 37 3.409 -8.437 -6.032 1.00 6.32 O ATOM 1267 CB PRO B 37 3.531 -11.144 -7.518 1.00 7.86 C ATOM 1268 CG PRO B 37 3.025 -12.363 -6.833 1.00 8.10 C ATOM 1269 CD PRO B 37 3.022 -12.042 -5.366 1.00 7.57 C ATOM 0 HA PRO B 37 5.561 -10.716 -6.756 1.00 7.44 H new ATOM 0 HB2 PRO B 37 2.717 -10.460 -7.758 1.00 7.86 H new ATOM 0 HB3 PRO B 37 4.023 -11.395 -8.458 1.00 7.86 H new ATOM 0 HG2 PRO B 37 2.023 -12.617 -7.179 1.00 8.10 H new ATOM 0 HG3 PRO B 37 3.662 -13.222 -7.043 1.00 8.10 H new ATOM 0 HD2 PRO B 37 2.070 -11.616 -5.048 1.00 7.57 H new ATOM 0 HD3 PRO B 37 3.192 -12.931 -4.758 1.00 7.57 H new ATOM 1277 N PRO B 38 5.345 -8.292 -7.189 1.00 6.95 N ATOM 1278 CA PRO B 38 5.341 -6.824 -7.303 1.00 6.54 C ATOM 1279 C PRO B 38 4.036 -6.276 -7.878 1.00 6.45 C ATOM 1280 O PRO B 38 3.652 -5.144 -7.592 1.00 5.97 O ATOM 1281 CB PRO B 38 6.502 -6.539 -8.256 1.00 7.04 C ATOM 1282 CG PRO B 38 7.418 -7.699 -8.085 1.00 7.43 C ATOM 1283 CD PRO B 38 6.532 -8.884 -7.827 1.00 7.57 C ATOM 0 HA PRO B 38 5.438 -6.346 -6.328 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.158 -6.454 -9.287 1.00 7.04 H new ATOM 0 HB3 PRO B 38 6.999 -5.601 -8.007 1.00 7.04 H new ATOM 0 HG2 PRO B 38 8.026 -7.852 -8.977 1.00 7.43 H new ATOM 0 HG3 PRO B 38 8.105 -7.536 -7.255 1.00 7.43 H new ATOM 0 HD2 PRO B 38 6.275 -9.402 -8.751 1.00 7.57 H new ATOM 0 HD3 PRO B 38 7.016 -9.613 -7.177 1.00 7.57 H new ATOM 1291 N ASP B 39 3.359 -7.092 -8.681 1.00 6.95 N ATOM 1292 CA ASP B 39 2.087 -6.702 -9.293 1.00 6.96 C ATOM 1293 C ASP B 39 1.041 -6.376 -8.227 1.00 6.32 C ATOM 1294 O ASP B 39 0.196 -5.499 -8.412 1.00 6.07 O ATOM 1295 CB ASP B 39 1.573 -7.829 -10.195 1.00 7.65 C ATOM 1296 CG ASP B 39 0.178 -7.566 -10.729 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.051 -6.809 -11.713 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.794 -8.120 -10.174 1.00 7.79 O ATOM 0 H ASP B 39 3.670 -8.032 -8.925 1.00 6.95 H new ATOM 0 HA ASP B 39 2.259 -5.807 -9.891 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.259 -7.959 -11.032 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.572 -8.764 -9.635 1.00 7.65 H new ATOM 1303 N GLN B 40 1.122 -7.071 -7.103 1.00 6.12 N ATOM 1304 CA GLN B 40 0.186 -6.872 -6.006 1.00 5.59 C ATOM 1305 C GLN B 40 0.739 -5.879 -4.987 1.00 4.88 C ATOM 1306 O GLN B 40 0.029 -5.451 -4.080 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.109 -8.204 -5.311 1.00 5.92 C ATOM 1308 CG GLN B 40 -0.608 -9.293 -6.251 1.00 6.60 C ATOM 1309 CD GLN B 40 -0.593 -10.672 -5.614 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -0.430 -11.684 -6.296 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -0.759 -10.724 -4.302 1.00 6.80 N ATOM 0 H GLN B 40 1.831 -7.782 -6.926 1.00 6.12 H new ATOM 0 HA GLN B 40 -0.736 -6.468 -6.423 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.797 -8.553 -4.815 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -0.855 -8.039 -4.533 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -1.623 -9.055 -6.569 1.00 6.60 H new ATOM 0 HG3 GLN B 40 0.012 -9.305 -7.148 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -0.891 -9.864 -3.770 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -0.755 -11.624 -3.823 1.00 6.80 H new ATOM 1320 N GLN B 41 2.001 -5.508 -5.146 1.00 4.86 N ATOM 1321 CA GLN B 41 2.645 -4.585 -4.223 1.00 4.24 C ATOM 1322 C GLN B 41 2.361 -3.136 -4.591 1.00 3.92 C ATOM 1323 O GLN B 41 3.060 -2.550 -5.417 1.00 4.35 O ATOM 1324 CB GLN B 41 4.157 -4.810 -4.207 1.00 4.48 C ATOM 1325 CG GLN B 41 4.583 -6.155 -3.655 1.00 4.79 C ATOM 1326 CD GLN B 41 6.083 -6.227 -3.449 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.717 -5.235 -3.097 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.665 -7.392 -3.682 1.00 5.46 N ATOM 0 H GLN B 41 2.600 -5.832 -5.906 1.00 4.86 H new ATOM 0 HA GLN B 41 2.233 -4.780 -3.233 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.538 -4.711 -5.224 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.623 -4.023 -3.614 1.00 4.48 H new ATOM 0 HG2 GLN B 41 4.076 -6.336 -2.707 1.00 4.79 H new ATOM 0 HG3 GLN B 41 4.271 -6.944 -4.339 1.00 4.79 H new ATOM 0 HE21 GLN B 41 6.104 -8.193 -3.973 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.674 -7.489 -3.571 1.00 5.46 H new ATOM 1337 N ARG B 42 1.338 -2.560 -3.985 1.00 3.29 N ATOM 1338 CA ARG B 42 1.000 -1.172 -4.243 1.00 3.09 C ATOM 1339 C ARG B 42 1.497 -0.306 -3.090 1.00 2.49 C ATOM 1340 O ARG B 42 0.737 0.052 -2.185 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.506 -0.998 -4.431 1.00 2.97 C ATOM 1342 CG ARG B 42 -0.880 0.301 -5.123 1.00 3.22 C ATOM 1343 CD ARG B 42 -2.286 0.738 -4.756 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.396 1.082 -3.337 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.552 1.254 -2.697 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.707 1.098 -3.340 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.552 1.581 -1.411 1.00 3.59 N ATOM 0 H ARG B 42 0.730 -3.029 -3.314 1.00 3.29 H new ATOM 0 HA ARG B 42 1.487 -0.859 -5.167 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -0.891 -1.835 -5.013 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -0.993 -1.036 -3.457 1.00 2.97 H new ATOM 0 HG2 ARG B 42 -0.171 1.081 -4.845 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.807 0.174 -6.203 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.569 1.599 -5.362 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -2.988 -0.062 -4.992 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.533 1.197 -2.805 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.710 0.845 -4.328 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.589 1.231 -2.844 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.669 1.700 -0.915 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.435 1.713 -0.918 1.00 3.59 H new ATOM 1361 N LEU B 43 2.789 -0.004 -3.116 1.00 2.72 N ATOM 1362 CA LEU B 43 3.414 0.811 -2.082 1.00 2.34 C ATOM 1363 C LEU B 43 2.928 2.252 -2.173 1.00 2.51 C ATOM 1364 O LEU B 43 3.157 2.936 -3.172 1.00 3.16 O ATOM 1365 CB LEU B 43 4.937 0.759 -2.215 1.00 2.69 C ATOM 1366 CG LEU B 43 5.584 -0.565 -1.802 1.00 2.62 C ATOM 1367 CD1 LEU B 43 6.933 -0.736 -2.487 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.746 -0.629 -0.291 1.00 2.03 C ATOM 0 H LEU B 43 3.428 -0.314 -3.848 1.00 2.72 H new ATOM 0 HA LEU B 43 3.132 0.410 -1.108 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.202 0.966 -3.252 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.366 1.558 -1.610 1.00 2.69 H new ATOM 0 HG LEU B 43 4.931 -1.380 -2.116 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.379 -1.683 -2.182 1.00 3.19 H new ATOM 0 HD12 LEU B 43 6.795 -0.732 -3.568 1.00 3.19 H new ATOM 0 HD13 LEU B 43 7.592 0.084 -2.202 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.208 -1.577 -0.014 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.379 0.194 0.042 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.768 -0.550 0.183 1.00 2.03 H new ATOM 1380 N ILE B 44 2.253 2.701 -1.128 1.00 2.10 N ATOM 1381 CA ILE B 44 1.718 4.049 -1.089 1.00 2.55 C ATOM 1382 C ILE B 44 2.348 4.858 0.040 1.00 2.73 C ATOM 1383 O ILE B 44 2.494 4.375 1.164 1.00 2.37 O ATOM 1384 CB ILE B 44 0.181 4.022 -0.915 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.494 3.512 -2.191 1.00 2.20 C ATOM 1386 CG2 ILE B 44 -0.354 5.398 -0.538 1.00 3.04 C ATOM 1387 CD1 ILE B 44 -0.291 4.404 -3.398 1.00 2.92 C ATOM 0 H ILE B 44 2.063 2.148 -0.292 1.00 2.10 H new ATOM 0 HA ILE B 44 1.961 4.527 -2.038 1.00 2.55 H new ATOM 0 HB ILE B 44 -0.054 3.337 -0.100 1.00 2.35 H new ATOM 0 HG12 ILE B 44 -0.111 2.518 -2.419 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.563 3.407 -2.006 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -1.437 5.348 -0.422 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.097 5.719 0.401 1.00 3.04 H new ATOM 0 HG23 ILE B 44 -0.105 6.113 -1.323 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.800 3.972 -4.259 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.701 5.393 -3.193 1.00 2.92 H new ATOM 0 HD13 ILE B 44 0.774 4.490 -3.612 1.00 2.92 H new ATOM 1399 N PHE B 45 2.724 6.089 -0.269 1.00 3.41 N ATOM 1400 CA PHE B 45 3.326 6.969 0.718 1.00 3.75 C ATOM 1401 C PHE B 45 2.321 8.033 1.151 1.00 4.37 C ATOM 1402 O PHE B 45 2.447 9.207 0.792 1.00 4.85 O ATOM 1403 CB PHE B 45 4.591 7.620 0.149 1.00 3.98 C ATOM 1404 CG PHE B 45 5.656 7.888 1.177 1.00 4.33 C ATOM 1405 CD1 PHE B 45 6.010 6.916 2.100 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.309 9.109 1.214 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.994 7.159 3.041 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.292 9.358 2.153 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.636 8.381 3.066 1.00 5.14 C ATOM 0 H PHE B 45 2.622 6.501 -1.197 1.00 3.41 H new ATOM 0 HA PHE B 45 3.608 6.381 1.592 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.003 6.974 -0.626 1.00 3.98 H new ATOM 0 HB3 PHE B 45 4.319 8.560 -0.331 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.512 5.958 2.084 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.047 9.876 0.500 1.00 5.00 H new ATOM 0 HE1 PHE B 45 7.260 6.394 3.755 1.00 4.54 H new ATOM 0 HE2 PHE B 45 7.791 10.316 2.173 1.00 5.37 H new ATOM 0 HZ PHE B 45 8.406 8.572 3.799 1.00 5.14 H new ATOM 1419 N ALA B 46 1.298 7.591 1.888 1.00 4.47 N ATOM 1420 CA ALA B 46 0.242 8.468 2.407 1.00 5.11 C ATOM 1421 C ALA B 46 -0.496 9.219 1.298 1.00 5.25 C ATOM 1422 O ALA B 46 -1.039 10.301 1.522 1.00 5.80 O ATOM 1423 CB ALA B 46 0.822 9.445 3.421 1.00 5.68 C ATOM 0 H ALA B 46 1.178 6.611 2.143 1.00 4.47 H new ATOM 0 HA ALA B 46 -0.493 7.831 2.899 1.00 5.11 H new ATOM 0 HB1 ALA B 46 0.029 10.090 3.799 1.00 5.68 H new ATOM 0 HB2 ALA B 46 1.264 8.891 4.249 1.00 5.68 H new ATOM 0 HB3 ALA B 46 1.588 10.054 2.942 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.532 8.634 0.111 1.00 4.86 N ATOM 1430 CA GLY B 47 -1.209 9.263 -1.005 1.00 5.04 C ATOM 1431 C GLY B 47 -0.397 9.189 -2.277 1.00 5.20 C ATOM 1432 O GLY B 47 -0.913 8.822 -3.333 1.00 5.50 O ATOM 0 H GLY B 47 -0.104 7.733 -0.101 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -2.173 8.780 -1.162 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.411 10.307 -0.764 1.00 5.04 H new ATOM 1436 N LYS B 48 0.880 9.527 -2.169 1.00 5.13 N ATOM 1437 CA LYS B 48 1.777 9.502 -3.315 1.00 5.44 C ATOM 1438 C LYS B 48 2.055 8.067 -3.750 1.00 4.89 C ATOM 1439 O LYS B 48 2.402 7.215 -2.929 1.00 4.41 O ATOM 1440 CB LYS B 48 3.092 10.213 -2.984 1.00 6.05 C ATOM 1441 CG LYS B 48 2.941 11.713 -2.771 1.00 6.75 C ATOM 1442 CD LYS B 48 4.288 12.392 -2.559 1.00 7.32 C ATOM 1443 CE LYS B 48 4.869 12.085 -1.185 1.00 7.40 C ATOM 1444 NZ LYS B 48 4.430 13.066 -0.158 1.00 7.95 N ATOM 0 H LYS B 48 1.319 9.822 -1.297 1.00 5.13 H new ATOM 0 HA LYS B 48 1.291 10.028 -4.137 1.00 5.44 H new ATOM 0 HB2 LYS B 48 3.519 9.769 -2.085 1.00 6.05 H new ATOM 0 HB3 LYS B 48 3.802 10.040 -3.793 1.00 6.05 H new ATOM 0 HG2 LYS B 48 2.443 12.155 -3.634 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.302 11.895 -1.907 1.00 6.75 H new ATOM 0 HD2 LYS B 48 4.985 12.064 -3.330 1.00 7.32 H new ATOM 0 HD3 LYS B 48 4.173 13.470 -2.672 1.00 7.32 H new ATOM 0 HE2 LYS B 48 4.567 11.083 -0.880 1.00 7.40 H new ATOM 0 HE3 LYS B 48 5.957 12.086 -1.244 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 4.849 12.818 0.761 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 4.740 14.020 -0.434 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 3.393 13.048 -0.081 1.00 7.95 H new ATOM 1458 N GLN B 49 1.883 7.815 -5.039 1.00 5.05 N ATOM 1459 CA GLN B 49 2.117 6.497 -5.610 1.00 4.73 C ATOM 1460 C GLN B 49 3.587 6.352 -5.986 1.00 5.12 C ATOM 1461 O GLN B 49 4.137 7.192 -6.699 1.00 5.81 O ATOM 1462 CB GLN B 49 1.229 6.294 -6.844 1.00 4.93 C ATOM 1463 CG GLN B 49 1.508 5.008 -7.613 1.00 4.85 C ATOM 1464 CD GLN B 49 1.148 3.758 -6.833 1.00 5.12 C ATOM 1465 OE1 GLN B 49 1.977 3.194 -6.119 1.00 5.27 O ATOM 1466 NE2 GLN B 49 -0.090 3.312 -6.972 1.00 5.36 N ATOM 0 H GLN B 49 1.579 8.515 -5.716 1.00 5.05 H new ATOM 0 HA GLN B 49 1.865 5.736 -4.871 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.185 6.297 -6.530 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.362 7.142 -7.516 1.00 4.93 H new ATOM 0 HG2 GLN B 49 0.946 5.021 -8.547 1.00 4.85 H new ATOM 0 HG3 GLN B 49 2.565 4.972 -7.878 1.00 4.85 H new ATOM 0 HE21 GLN B 49 -0.747 3.809 -7.574 1.00 5.36 H new ATOM 0 HE22 GLN B 49 -0.388 2.471 -6.477 1.00 5.36 H new ATOM 1475 N LEU B 50 4.219 5.297 -5.496 1.00 4.71 N ATOM 1476 CA LEU B 50 5.624 5.057 -5.779 1.00 5.07 C ATOM 1477 C LEU B 50 5.799 4.394 -7.143 1.00 5.51 C ATOM 1478 O LEU B 50 5.467 3.220 -7.324 1.00 5.29 O ATOM 1479 CB LEU B 50 6.250 4.191 -4.680 1.00 4.53 C ATOM 1480 CG LEU B 50 6.085 4.722 -3.250 1.00 4.10 C ATOM 1481 CD1 LEU B 50 6.869 3.862 -2.270 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.531 6.174 -3.153 1.00 4.69 C ATOM 0 H LEU B 50 3.781 4.594 -4.901 1.00 4.71 H new ATOM 0 HA LEU B 50 6.136 6.019 -5.800 1.00 5.07 H new ATOM 0 HB2 LEU B 50 5.812 3.194 -4.732 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.314 4.082 -4.889 1.00 4.53 H new ATOM 0 HG LEU B 50 5.027 4.673 -2.991 1.00 4.10 H new ATOM 0 HD11 LEU B 50 6.741 4.252 -1.260 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.502 2.836 -2.312 1.00 3.66 H new ATOM 0 HD13 LEU B 50 7.926 3.880 -2.535 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.404 6.526 -2.129 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.581 6.252 -3.436 1.00 4.69 H new ATOM 0 HD23 LEU B 50 5.928 6.785 -3.824 1.00 4.69 H new ATOM 1494 N GLU B 51 6.299 5.163 -8.105 1.00 6.21 N ATOM 1495 CA GLU B 51 6.530 4.665 -9.453 1.00 6.75 C ATOM 1496 C GLU B 51 7.744 3.739 -9.477 1.00 6.81 C ATOM 1497 O GLU B 51 8.782 4.050 -8.897 1.00 6.81 O ATOM 1498 CB GLU B 51 6.734 5.838 -10.416 1.00 7.48 C ATOM 1499 CG GLU B 51 6.985 5.427 -11.857 1.00 8.08 C ATOM 1500 CD GLU B 51 7.542 6.559 -12.697 1.00 8.74 C ATOM 1501 OE1 GLU B 51 6.845 7.582 -12.865 1.00 9.03 O ATOM 1502 OE2 GLU B 51 8.681 6.433 -13.191 1.00 9.08 O ATOM 0 H GLU B 51 6.553 6.142 -7.972 1.00 6.21 H new ATOM 0 HA GLU B 51 5.657 4.096 -9.772 1.00 6.75 H new ATOM 0 HB2 GLU B 51 5.853 6.479 -10.381 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.577 6.436 -10.069 1.00 7.48 H new ATOM 0 HG2 GLU B 51 7.681 4.589 -11.876 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.052 5.076 -12.299 1.00 8.08 H new ATOM 1509 N ASP B 52 7.597 2.609 -10.155 1.00 6.95 N ATOM 1510 CA ASP B 52 8.656 1.598 -10.257 1.00 7.11 C ATOM 1511 C ASP B 52 9.979 2.177 -10.756 1.00 7.68 C ATOM 1512 O ASP B 52 11.042 1.874 -10.208 1.00 7.65 O ATOM 1513 CB ASP B 52 8.220 0.480 -11.206 1.00 7.41 C ATOM 1514 CG ASP B 52 7.565 -0.686 -10.495 1.00 6.92 C ATOM 1515 OD1 ASP B 52 6.658 -0.455 -9.669 1.00 6.71 O ATOM 1516 OD2 ASP B 52 7.945 -1.843 -10.776 1.00 6.84 O ATOM 0 H ASP B 52 6.742 2.361 -10.652 1.00 6.95 H new ATOM 0 HA ASP B 52 8.817 1.211 -9.251 1.00 7.11 H new ATOM 0 HB2 ASP B 52 7.524 0.886 -11.940 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.089 0.120 -11.756 1.00 7.41 H new ATOM 1521 N GLY B 53 9.906 3.008 -11.791 1.00 8.21 N ATOM 1522 CA GLY B 53 11.102 3.592 -12.377 1.00 8.81 C ATOM 1523 C GLY B 53 11.666 4.774 -11.609 1.00 8.72 C ATOM 1524 O GLY B 53 12.606 5.421 -12.074 1.00 9.22 O ATOM 0 H GLY B 53 9.034 3.290 -12.238 1.00 8.21 H new ATOM 0 HA2 GLY B 53 11.870 2.822 -12.449 1.00 8.81 H new ATOM 0 HA3 GLY B 53 10.875 3.911 -13.394 1.00 8.81 H new ATOM 1528 N ARG B 54 11.111 5.069 -10.442 1.00 8.14 N ATOM 1529 CA ARG B 54 11.598 6.187 -9.645 1.00 8.09 C ATOM 1530 C ARG B 54 12.376 5.683 -8.440 1.00 7.60 C ATOM 1531 O ARG B 54 12.240 4.525 -8.041 1.00 7.21 O ATOM 1532 CB ARG B 54 10.448 7.088 -9.180 1.00 7.88 C ATOM 1533 CG ARG B 54 9.727 7.806 -10.309 1.00 8.41 C ATOM 1534 CD ARG B 54 10.680 8.615 -11.175 1.00 9.15 C ATOM 1535 NE ARG B 54 10.714 8.114 -12.549 1.00 9.64 N ATOM 1536 CZ ARG B 54 11.623 8.474 -13.456 1.00 10.23 C ATOM 1537 NH1 ARG B 54 12.573 9.346 -13.146 1.00 10.39 N ATOM 1538 NH2 ARG B 54 11.581 7.957 -14.679 1.00 10.70 N ATOM 0 H ARG B 54 10.332 4.557 -10.029 1.00 8.14 H new ATOM 0 HA ARG B 54 12.259 6.778 -10.279 1.00 8.09 H new ATOM 0 HB2 ARG B 54 9.727 6.484 -8.629 1.00 7.88 H new ATOM 0 HB3 ARG B 54 10.840 7.830 -8.484 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.207 7.075 -10.929 1.00 8.41 H new ATOM 0 HG3 ARG B 54 8.968 8.467 -9.891 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.373 9.661 -11.176 1.00 9.15 H new ATOM 0 HD3 ARG B 54 11.682 8.577 -10.748 1.00 9.15 H new ATOM 0 HE ARG B 54 9.996 7.446 -12.831 1.00 9.64 H new ATOM 0 HH11 ARG B 54 12.612 9.746 -12.209 1.00 10.39 H new ATOM 0 HH12 ARG B 54 13.265 9.616 -13.845 1.00 10.39 H new ATOM 0 HH21 ARG B 54 10.854 7.285 -14.924 1.00 10.70 H new ATOM 0 HH22 ARG B 54 12.276 8.232 -15.373 1.00 10.70 H new ATOM 1552 N THR B 55 13.193 6.555 -7.875 1.00 7.68 N ATOM 1553 CA THR B 55 13.994 6.216 -6.713 1.00 7.27 C ATOM 1554 C THR B 55 13.347 6.764 -5.446 1.00 6.76 C ATOM 1555 O THR B 55 12.394 7.545 -5.514 1.00 6.83 O ATOM 1556 CB THR B 55 15.434 6.764 -6.833 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.423 8.136 -7.262 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.250 5.930 -7.811 1.00 8.15 C ATOM 0 H THR B 55 13.319 7.511 -8.206 1.00 7.68 H new ATOM 0 HA THR B 55 14.045 5.129 -6.659 1.00 7.27 H new ATOM 0 HB THR B 55 15.895 6.705 -5.847 1.00 7.75 H new ATOM 0 HG1 THR B 55 14.856 8.226 -8.057 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.260 6.334 -7.879 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.295 4.899 -7.461 1.00 8.15 H new ATOM 0 HG23 THR B 55 15.780 5.959 -8.794 1.00 8.15 H new ATOM 1566 N LEU B 56 13.868 6.362 -4.294 1.00 6.30 N ATOM 1567 CA LEU B 56 13.337 6.817 -3.014 1.00 5.87 C ATOM 1568 C LEU B 56 13.561 8.317 -2.833 1.00 6.39 C ATOM 1569 O LEU B 56 12.769 9.005 -2.184 1.00 6.35 O ATOM 1570 CB LEU B 56 13.986 6.033 -1.870 1.00 5.35 C ATOM 1571 CG LEU B 56 13.650 4.538 -1.847 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.691 3.761 -1.058 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.265 4.313 -1.258 1.00 4.34 C ATOM 0 H LEU B 56 14.658 5.721 -4.219 1.00 6.30 H new ATOM 0 HA LEU B 56 12.262 6.635 -3.000 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.068 6.147 -1.937 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.677 6.476 -0.923 1.00 5.35 H new ATOM 0 HG LEU B 56 13.657 4.173 -2.874 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.431 2.703 -1.056 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.670 3.893 -1.519 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.720 4.129 -0.033 1.00 4.55 H new ATOM 0 HD21 LEU B 56 12.042 3.246 -1.249 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.236 4.698 -0.239 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.523 4.833 -1.864 1.00 4.34 H new ATOM 1585 N SER B 57 14.625 8.827 -3.439 1.00 6.96 N ATOM 1586 CA SER B 57 14.954 10.239 -3.347 1.00 7.54 C ATOM 1587 C SER B 57 13.994 11.090 -4.182 1.00 7.98 C ATOM 1588 O SER B 57 13.813 12.277 -3.914 1.00 8.39 O ATOM 1589 CB SER B 57 16.394 10.458 -3.804 1.00 8.01 C ATOM 1590 OG SER B 57 16.913 9.282 -4.404 1.00 7.91 O ATOM 0 H SER B 57 15.276 8.279 -4.001 1.00 6.96 H new ATOM 0 HA SER B 57 14.851 10.551 -2.308 1.00 7.54 H new ATOM 0 HB2 SER B 57 16.434 11.283 -4.515 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.012 10.741 -2.952 1.00 8.01 H new ATOM 0 HG SER B 57 17.836 9.442 -4.692 1.00 7.91 H new ATOM 1596 N ASP B 58 13.355 10.472 -5.175 1.00 7.94 N ATOM 1597 CA ASP B 58 12.416 11.183 -6.045 1.00 8.36 C ATOM 1598 C ASP B 58 11.167 11.599 -5.277 1.00 8.11 C ATOM 1599 O ASP B 58 10.477 12.544 -5.659 1.00 8.57 O ATOM 1600 CB ASP B 58 12.002 10.314 -7.238 1.00 8.35 C ATOM 1601 CG ASP B 58 13.082 10.196 -8.292 1.00 8.93 C ATOM 1602 OD1 ASP B 58 13.603 11.237 -8.745 1.00 9.53 O ATOM 1603 OD2 ASP B 58 13.416 9.060 -8.677 1.00 8.85 O ATOM 0 H ASP B 58 13.469 9.483 -5.397 1.00 7.94 H new ATOM 0 HA ASP B 58 12.928 12.073 -6.410 1.00 8.36 H new ATOM 0 HB2 ASP B 58 11.741 9.318 -6.881 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.105 10.735 -7.692 1.00 8.35 H new ATOM 1608 N TYR B 59 10.881 10.889 -4.192 1.00 7.43 N ATOM 1609 CA TYR B 59 9.705 11.180 -3.381 1.00 7.20 C ATOM 1610 C TYR B 59 10.099 11.729 -2.016 1.00 7.19 C ATOM 1611 O TYR B 59 9.269 11.802 -1.109 1.00 6.99 O ATOM 1612 CB TYR B 59 8.853 9.920 -3.223 1.00 6.47 C ATOM 1613 CG TYR B 59 8.317 9.396 -4.533 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.273 10.043 -5.183 1.00 6.55 C ATOM 1615 CD2 TYR B 59 8.857 8.260 -5.121 1.00 6.66 C ATOM 1616 CE1 TYR B 59 6.783 9.572 -6.385 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.374 7.784 -6.323 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.336 8.441 -6.949 1.00 6.77 C ATOM 1619 OH TYR B 59 6.854 7.968 -8.148 1.00 6.97 O ATOM 0 H TYR B 59 11.446 10.110 -3.854 1.00 7.43 H new ATOM 0 HA TYR B 59 9.119 11.944 -3.892 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.450 9.143 -2.745 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.018 10.135 -2.556 1.00 6.47 H new ATOM 0 HD1 TYR B 59 6.838 10.928 -4.741 1.00 6.55 H new ATOM 0 HD2 TYR B 59 9.667 7.741 -4.630 1.00 6.66 H new ATOM 0 HE1 TYR B 59 5.972 10.086 -6.880 1.00 6.65 H new ATOM 0 HE2 TYR B 59 8.807 6.902 -6.771 1.00 6.81 H new ATOM 0 HH TYR B 59 6.962 8.656 -8.838 1.00 6.97 H new ATOM 1629 N ASN B 60 11.366 12.122 -1.889 1.00 7.47 N ATOM 1630 CA ASN B 60 11.899 12.676 -0.641 1.00 7.55 C ATOM 1631 C ASN B 60 11.675 11.709 0.525 1.00 6.85 C ATOM 1632 O ASN B 60 11.220 12.100 1.599 1.00 6.88 O ATOM 1633 CB ASN B 60 11.259 14.038 -0.337 1.00 8.14 C ATOM 1634 CG ASN B 60 11.980 14.814 0.758 1.00 8.48 C ATOM 1635 OD1 ASN B 60 11.350 15.501 1.564 1.00 8.51 O ATOM 1636 ND2 ASN B 60 13.301 14.729 0.791 1.00 8.82 N ATOM 0 H ASN B 60 12.050 12.067 -2.643 1.00 7.47 H new ATOM 0 HA ASN B 60 12.972 12.818 -0.766 1.00 7.55 H new ATOM 0 HB2 ASN B 60 11.246 14.636 -1.248 1.00 8.14 H new ATOM 0 HB3 ASN B 60 10.221 13.886 -0.041 1.00 8.14 H new ATOM 0 HD21 ASN B 60 13.827 15.241 1.499 1.00 8.82 H new ATOM 0 HD22 ASN B 60 13.792 14.151 0.109 1.00 8.82 H new ATOM 1643 N ILE B 61 11.982 10.440 0.298 1.00 6.28 N ATOM 1644 CA ILE B 61 11.822 9.426 1.327 1.00 5.59 C ATOM 1645 C ILE B 61 13.134 9.231 2.071 1.00 5.56 C ATOM 1646 O ILE B 61 14.097 8.691 1.522 1.00 5.56 O ATOM 1647 CB ILE B 61 11.353 8.082 0.732 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.056 8.278 -0.059 1.00 5.03 C ATOM 1649 CG2 ILE B 61 11.161 7.044 1.834 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.563 7.022 -0.746 1.00 4.62 C ATOM 0 H ILE B 61 12.343 10.089 -0.589 1.00 6.28 H new ATOM 0 HA ILE B 61 11.055 9.772 2.020 1.00 5.59 H new ATOM 0 HB ILE B 61 12.122 7.715 0.052 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.281 8.640 0.616 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.212 9.053 -0.809 1.00 5.03 H new ATOM 0 HG21 ILE B 61 10.830 6.103 1.394 1.00 4.29 H new ATOM 0 HG22 ILE B 61 12.105 6.888 2.356 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.410 7.398 2.540 1.00 4.29 H new ATOM 0 HD11 ILE B 61 8.641 7.240 -1.285 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.319 6.670 -1.448 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.373 6.250 -0.000 1.00 4.62 H new ATOM 1662 N GLN B 62 13.170 9.696 3.310 1.00 5.63 N ATOM 1663 CA GLN B 62 14.361 9.586 4.139 1.00 5.66 C ATOM 1664 C GLN B 62 14.435 8.220 4.813 1.00 5.00 C ATOM 1665 O GLN B 62 13.575 7.362 4.600 1.00 4.51 O ATOM 1666 CB GLN B 62 14.365 10.689 5.201 1.00 6.23 C ATOM 1667 CG GLN B 62 14.459 12.091 4.623 1.00 6.94 C ATOM 1668 CD GLN B 62 14.739 13.150 5.675 1.00 7.54 C ATOM 1669 OE1 GLN B 62 14.296 14.291 5.555 1.00 8.05 O ATOM 1670 NE2 GLN B 62 15.492 12.791 6.701 1.00 7.56 N ATOM 0 H GLN B 62 12.382 10.156 3.766 1.00 5.63 H new ATOM 0 HA GLN B 62 15.233 9.699 3.496 1.00 5.66 H new ATOM 0 HB2 GLN B 62 13.456 10.611 5.797 1.00 6.23 H new ATOM 0 HB3 GLN B 62 15.204 10.527 5.878 1.00 6.23 H new ATOM 0 HG2 GLN B 62 15.248 12.116 3.872 1.00 6.94 H new ATOM 0 HG3 GLN B 62 13.526 12.331 4.113 1.00 6.94 H new ATOM 0 HE21 GLN B 62 15.842 11.835 6.767 1.00 7.56 H new ATOM 0 HE22 GLN B 62 15.723 13.470 7.426 1.00 7.56 H new ATOM 1679 N LYS B 63 15.462 8.025 5.626 1.00 5.05 N ATOM 1680 CA LYS B 63 15.638 6.769 6.339 1.00 4.56 C ATOM 1681 C LYS B 63 14.667 6.693 7.514 1.00 4.55 C ATOM 1682 O LYS B 63 14.145 7.719 7.957 1.00 5.02 O ATOM 1683 CB LYS B 63 17.083 6.626 6.826 1.00 4.73 C ATOM 1684 CG LYS B 63 17.554 7.767 7.713 1.00 5.32 C ATOM 1685 CD LYS B 63 19.001 7.577 8.137 1.00 5.47 C ATOM 1686 CE LYS B 63 19.461 8.697 9.055 1.00 6.08 C ATOM 1687 NZ LYS B 63 18.817 8.615 10.391 1.00 6.18 N ATOM 0 H LYS B 63 16.186 8.720 5.808 1.00 5.05 H new ATOM 0 HA LYS B 63 15.425 5.946 5.656 1.00 4.56 H new ATOM 0 HB2 LYS B 63 17.179 5.689 7.375 1.00 4.73 H new ATOM 0 HB3 LYS B 63 17.742 6.557 5.960 1.00 4.73 H new ATOM 0 HG2 LYS B 63 17.450 8.712 7.179 1.00 5.32 H new ATOM 0 HG3 LYS B 63 16.919 7.829 8.597 1.00 5.32 H new ATOM 0 HD2 LYS B 63 19.110 6.619 8.646 1.00 5.47 H new ATOM 0 HD3 LYS B 63 19.639 7.543 7.254 1.00 5.47 H new ATOM 0 HE2 LYS B 63 20.544 8.651 9.170 1.00 6.08 H new ATOM 0 HE3 LYS B 63 19.230 9.659 8.598 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 18.345 9.517 10.605 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 18.115 7.848 10.391 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 19.540 8.423 11.114 1.00 6.18 H new ATOM 1701 N GLU B 64 14.416 5.476 7.992 1.00 4.12 N ATOM 1702 CA GLU B 64 13.504 5.243 9.118 1.00 4.23 C ATOM 1703 C GLU B 64 12.060 5.609 8.763 1.00 4.21 C ATOM 1704 O GLU B 64 11.234 5.840 9.646 1.00 4.54 O ATOM 1705 CB GLU B 64 13.950 6.015 10.369 1.00 4.87 C ATOM 1706 CG GLU B 64 15.131 5.384 11.095 1.00 4.93 C ATOM 1707 CD GLU B 64 16.459 6.005 10.715 1.00 5.11 C ATOM 1708 OE1 GLU B 64 16.571 7.247 10.739 1.00 5.47 O ATOM 1709 OE2 GLU B 64 17.406 5.251 10.405 1.00 5.06 O ATOM 0 H GLU B 64 14.835 4.626 7.615 1.00 4.12 H new ATOM 0 HA GLU B 64 13.541 4.176 9.337 1.00 4.23 H new ATOM 0 HB2 GLU B 64 14.215 7.032 10.081 1.00 4.87 H new ATOM 0 HB3 GLU B 64 13.109 6.087 11.058 1.00 4.87 H new ATOM 0 HG2 GLU B 64 14.984 5.483 12.171 1.00 4.93 H new ATOM 0 HG3 GLU B 64 15.158 4.317 10.874 1.00 4.93 H new ATOM 1716 N SER B 65 11.758 5.662 7.471 1.00 3.91 N ATOM 1717 CA SER B 65 10.413 5.988 7.016 1.00 3.90 C ATOM 1718 C SER B 65 9.552 4.730 6.966 1.00 3.33 C ATOM 1719 O SER B 65 10.062 3.625 6.748 1.00 2.87 O ATOM 1720 CB SER B 65 10.455 6.659 5.641 1.00 4.00 C ATOM 1721 OG SER B 65 11.228 7.848 5.672 1.00 4.61 O ATOM 0 H SER B 65 12.426 5.484 6.721 1.00 3.91 H new ATOM 0 HA SER B 65 9.970 6.687 7.725 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.875 5.969 4.910 1.00 4.00 H new ATOM 0 HB3 SER B 65 9.441 6.890 5.316 1.00 4.00 H new ATOM 0 HG SER B 65 11.923 7.804 4.983 1.00 4.61 H new ATOM 1727 N THR B 66 8.255 4.901 7.168 1.00 3.44 N ATOM 1728 CA THR B 66 7.327 3.786 7.158 1.00 3.03 C ATOM 1729 C THR B 66 6.543 3.730 5.848 1.00 2.64 C ATOM 1730 O THR B 66 5.672 4.563 5.595 1.00 2.95 O ATOM 1731 CB THR B 66 6.343 3.880 8.338 1.00 3.54 C ATOM 1732 OG1 THR B 66 6.968 4.560 9.436 1.00 4.12 O ATOM 1733 CG2 THR B 66 5.891 2.495 8.783 1.00 3.37 C ATOM 0 H THR B 66 7.821 5.808 7.342 1.00 3.44 H new ATOM 0 HA THR B 66 7.917 2.874 7.255 1.00 3.03 H new ATOM 0 HB THR B 66 5.467 4.439 8.010 1.00 3.54 H new ATOM 0 HG1 THR B 66 6.339 4.620 10.185 1.00 4.12 H new ATOM 0 HG21 THR B 66 5.197 2.590 9.618 1.00 3.37 H new ATOM 0 HG22 THR B 66 5.395 1.990 7.954 1.00 3.37 H new ATOM 0 HG23 THR B 66 6.758 1.913 9.096 1.00 3.37 H new ATOM 1741 N LEU B 67 6.867 2.751 5.019 1.00 2.05 N ATOM 1742 CA LEU B 67 6.191 2.572 3.745 1.00 1.73 C ATOM 1743 C LEU B 67 4.909 1.784 3.958 1.00 1.35 C ATOM 1744 O LEU B 67 4.930 0.717 4.569 1.00 1.37 O ATOM 1745 CB LEU B 67 7.093 1.831 2.754 1.00 1.57 C ATOM 1746 CG LEU B 67 8.371 2.565 2.346 1.00 2.08 C ATOM 1747 CD1 LEU B 67 9.235 1.669 1.475 1.00 2.27 C ATOM 1748 CD2 LEU B 67 8.040 3.857 1.611 1.00 2.73 C ATOM 0 H LEU B 67 7.598 2.065 5.207 1.00 2.05 H new ATOM 0 HA LEU B 67 5.956 3.553 3.333 1.00 1.73 H new ATOM 0 HB2 LEU B 67 7.370 0.871 3.190 1.00 1.57 H new ATOM 0 HB3 LEU B 67 6.515 1.617 1.855 1.00 1.57 H new ATOM 0 HG LEU B 67 8.926 2.818 3.250 1.00 2.08 H new ATOM 0 HD11 LEU B 67 10.142 2.203 1.191 1.00 2.27 H new ATOM 0 HD12 LEU B 67 9.502 0.770 2.030 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.682 1.391 0.578 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.964 4.363 1.330 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.464 3.628 0.714 1.00 2.73 H new ATOM 0 HD23 LEU B 67 7.454 4.506 2.262 1.00 2.73 H new ATOM 1760 N HIS B 68 3.793 2.306 3.470 1.00 1.33 N ATOM 1761 CA HIS B 68 2.516 1.628 3.625 1.00 1.10 C ATOM 1762 C HIS B 68 2.286 0.687 2.450 1.00 0.56 C ATOM 1763 O HIS B 68 1.902 1.115 1.359 1.00 0.78 O ATOM 1764 CB HIS B 68 1.368 2.638 3.742 1.00 1.57 C ATOM 1765 CG HIS B 68 1.418 3.466 4.992 1.00 2.36 C ATOM 1766 ND1 HIS B 68 0.819 3.088 6.176 1.00 2.80 N ATOM 1767 CD2 HIS B 68 2.004 4.665 5.238 1.00 3.18 C ATOM 1768 CE1 HIS B 68 1.028 4.020 7.089 1.00 3.58 C ATOM 1769 NE2 HIS B 68 1.748 4.982 6.547 1.00 3.83 N ATOM 0 H HIS B 68 3.746 3.192 2.966 1.00 1.33 H new ATOM 0 HA HIS B 68 2.541 1.046 4.546 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.389 3.301 2.877 1.00 1.57 H new ATOM 0 HB3 HIS B 68 0.420 2.102 3.710 1.00 1.57 H new ATOM 0 HD2 HIS B 68 2.567 5.259 4.534 1.00 3.18 H new ATOM 0 HE1 HIS B 68 0.669 3.997 8.107 1.00 3.58 H new ATOM 0 HE2 HIS B 68 2.064 5.826 7.025 1.00 3.83 H new ATOM 1778 N LEU B 69 2.550 -0.590 2.674 1.00 0.85 N ATOM 1779 CA LEU B 69 2.385 -1.599 1.639 1.00 1.28 C ATOM 1780 C LEU B 69 0.957 -2.127 1.617 1.00 1.50 C ATOM 1781 O LEU B 69 0.513 -2.806 2.546 1.00 1.96 O ATOM 1782 CB LEU B 69 3.369 -2.753 1.852 1.00 1.92 C ATOM 1783 CG LEU B 69 3.209 -3.944 0.899 1.00 2.60 C ATOM 1784 CD1 LEU B 69 3.383 -3.510 -0.551 1.00 2.68 C ATOM 1785 CD2 LEU B 69 4.204 -5.042 1.248 1.00 3.24 C ATOM 0 H LEU B 69 2.881 -0.954 3.567 1.00 0.85 H new ATOM 0 HA LEU B 69 2.594 -1.131 0.677 1.00 1.28 H new ATOM 0 HB2 LEU B 69 4.383 -2.365 1.753 1.00 1.92 H new ATOM 0 HB3 LEU B 69 3.263 -3.113 2.875 1.00 1.92 H new ATOM 0 HG LEU B 69 2.199 -4.338 1.016 1.00 2.60 H new ATOM 0 HD11 LEU B 69 3.265 -4.373 -1.206 1.00 2.68 H new ATOM 0 HD12 LEU B 69 2.631 -2.761 -0.799 1.00 2.68 H new ATOM 0 HD13 LEU B 69 4.378 -3.085 -0.687 1.00 2.68 H new ATOM 0 HD21 LEU B 69 4.077 -5.880 0.562 1.00 3.24 H new ATOM 0 HD22 LEU B 69 5.219 -4.654 1.163 1.00 3.24 H new ATOM 0 HD23 LEU B 69 4.030 -5.380 2.270 1.00 3.24 H new ATOM 1797 N VAL B 70 0.236 -1.798 0.559 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.133 -2.246 0.400 1.00 1.60 C ATOM 1799 C VAL B 70 -1.211 -3.235 -0.752 1.00 2.32 C ATOM 1800 O VAL B 70 -0.895 -2.895 -1.890 1.00 2.64 O ATOM 1801 CB VAL B 70 -2.092 -1.069 0.135 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.539 -1.534 0.181 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -1.854 0.057 1.134 1.00 0.88 C ATOM 0 H VAL B 70 0.581 -1.218 -0.206 1.00 1.39 H new ATOM 0 HA VAL B 70 -1.440 -2.725 1.330 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.890 -0.684 -0.864 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.199 -0.688 -0.009 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.700 -2.298 -0.580 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -3.756 -1.950 1.165 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.542 0.877 0.928 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.022 -0.313 2.146 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -0.828 0.413 1.044 1.00 0.88 H new ATOM 1813 N LEU B 71 -1.602 -4.462 -0.450 1.00 2.72 N ATOM 1814 CA LEU B 71 -1.708 -5.489 -1.473 1.00 3.42 C ATOM 1815 C LEU B 71 -2.923 -5.238 -2.349 1.00 3.52 C ATOM 1816 O LEU B 71 -4.062 -5.305 -1.890 1.00 3.46 O ATOM 1817 CB LEU B 71 -1.784 -6.882 -0.843 1.00 3.93 C ATOM 1818 CG LEU B 71 -0.493 -7.697 -0.925 1.00 4.27 C ATOM 1819 CD1 LEU B 71 0.628 -6.999 -0.170 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -0.715 -9.101 -0.382 1.00 4.99 C ATOM 0 H LEU B 71 -1.850 -4.770 0.490 1.00 2.72 H new ATOM 0 HA LEU B 71 -0.813 -5.445 -2.094 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -2.064 -6.776 0.205 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -2.582 -7.442 -1.331 1.00 3.93 H new ATOM 0 HG LEU B 71 -0.201 -7.777 -1.972 1.00 4.27 H new ATOM 0 HD11 LEU B 71 1.539 -7.594 -0.239 1.00 4.40 H new ATOM 0 HD12 LEU B 71 0.803 -6.015 -0.606 1.00 4.40 H new ATOM 0 HD13 LEU B 71 0.347 -6.887 0.877 1.00 4.40 H new ATOM 0 HD21 LEU B 71 0.214 -9.668 -0.448 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -1.031 -9.043 0.659 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -1.487 -9.600 -0.968 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.668 -4.948 -3.614 1.00 3.80 N ATOM 1833 CA ARG B 72 -3.731 -4.673 -4.564 1.00 4.03 C ATOM 1834 C ARG B 72 -4.260 -5.967 -5.173 1.00 4.67 C ATOM 1835 O ARG B 72 -4.143 -6.203 -6.378 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.236 -3.721 -5.657 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.328 -3.269 -6.617 1.00 4.52 C ATOM 1838 CD ARG B 72 -4.031 -1.902 -7.206 1.00 4.87 C ATOM 1839 NE ARG B 72 -2.717 -1.832 -7.840 1.00 5.41 N ATOM 1840 CZ ARG B 72 -2.341 -0.851 -8.656 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -3.167 0.153 -8.924 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -1.132 -0.863 -9.192 1.00 6.44 N ATOM 0 H ARG B 72 -1.728 -4.897 -4.008 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.551 -4.191 -4.033 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -2.791 -2.843 -5.188 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.447 -4.213 -6.225 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -4.429 -3.997 -7.422 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.283 -3.239 -6.093 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -4.797 -1.654 -7.940 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.089 -1.151 -6.418 1.00 4.87 H new ATOM 0 HE ARG B 72 -2.049 -2.578 -7.646 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -4.096 0.175 -8.503 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -2.873 0.902 -9.550 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -0.488 -1.625 -8.980 1.00 6.44 H new ATOM 0 HH22 ARG B 72 -0.844 -0.111 -9.818 1.00 6.44 H new ATOM 1856 N LEU B 73 -4.819 -6.817 -4.326 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.391 -8.071 -4.781 1.00 5.30 C ATOM 1858 C LEU B 73 -6.803 -7.811 -5.285 1.00 5.53 C ATOM 1859 O LEU B 73 -7.672 -7.386 -4.528 1.00 5.25 O ATOM 1860 CB LEU B 73 -5.400 -9.110 -3.662 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.109 -9.918 -3.518 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -3.963 -10.447 -2.100 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -4.094 -11.065 -4.516 1.00 6.22 C ATOM 0 H LEU B 73 -4.888 -6.660 -3.321 1.00 4.67 H new ATOM 0 HA LEU B 73 -4.780 -8.472 -5.590 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -5.601 -8.603 -2.718 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.225 -9.801 -3.835 1.00 5.36 H new ATOM 0 HG LEU B 73 -3.265 -9.261 -3.726 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -3.039 -11.019 -2.018 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -3.936 -9.611 -1.401 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -4.810 -11.091 -1.863 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -3.170 -11.633 -4.404 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -4.946 -11.719 -4.332 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -4.154 -10.667 -5.529 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.017 -8.046 -6.567 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.316 -7.807 -7.178 1.00 6.46 C ATOM 1877 C ARG B 74 -9.353 -8.823 -6.704 1.00 6.87 C ATOM 1878 O ARG B 74 -9.151 -10.034 -6.822 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.194 -7.835 -8.705 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.604 -6.558 -9.296 1.00 7.09 C ATOM 1881 CD ARG B 74 -6.102 -6.447 -9.047 1.00 7.58 C ATOM 1882 NE ARG B 74 -5.324 -7.207 -10.024 1.00 8.13 N ATOM 1883 CZ ARG B 74 -4.002 -7.385 -9.962 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -3.300 -6.926 -8.931 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -3.379 -8.048 -10.923 1.00 9.16 N ATOM 0 H ARG B 74 -6.308 -8.403 -7.208 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.658 -6.820 -6.868 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.571 -8.681 -8.996 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -9.181 -8.003 -9.137 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.795 -6.534 -10.369 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -8.107 -5.693 -8.863 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -5.805 -5.399 -9.085 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -5.874 -6.807 -8.044 1.00 7.58 H new ATOM 0 HE ARG B 74 -5.825 -7.630 -10.806 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -3.771 -6.430 -8.174 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -2.291 -7.069 -8.897 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -3.909 -8.423 -11.710 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -2.369 -8.184 -10.877 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.454 -8.320 -6.157 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.518 -9.181 -5.672 1.00 7.22 C ATOM 1901 C GLY B 75 -12.769 -8.394 -5.338 1.00 7.03 C ATOM 1902 O GLY B 75 -12.759 -7.165 -5.393 1.00 7.21 O ATOM 0 H GLY B 75 -10.630 -7.322 -6.040 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -11.751 -9.932 -6.427 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.177 -9.716 -4.786 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.843 -9.096 -4.998 1.00 6.90 N ATOM 1907 CA GLY B 76 -15.088 -8.429 -4.661 1.00 6.84 C ATOM 1908 C GLY B 76 -15.987 -8.257 -5.865 1.00 7.02 C ATOM 1909 O GLY B 76 -16.687 -7.228 -5.950 1.00 7.18 O ATOM 1910 OXT GLY B 76 -15.988 -9.149 -6.741 1.00 7.20 O ATOM 0 H GLY B 76 -13.875 -10.114 -4.949 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -15.612 -9.005 -3.898 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -14.870 -7.452 -4.230 1.00 6.84 H new TER 1914 GLY B 76