USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 68 GLN : amide:sc= -0.0225 K(o=0.012,f=-1.1) USER MOD Set 1.2: B 71 GLN : amide:sc= 0.0345 K(o=0.012,f=-2.1) USER MOD Set 2.1: B 62 SER OG : rot 176:sc= 0.996 USER MOD Set 2.2: B 69 THR OG1 : rot 180:sc= 0.763 USER MOD Set 3.1: A 52 THR OG1 : rot 113:sc= 1.23 USER MOD Set 3.2: A 58 HIS : no HE2:sc= 0.995 K(o=2.2,f=-3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 2.41 (180deg=-0.0338) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -28:sc= 0.553 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -139:sc= -0.594 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 51 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -170:sc= -1.09 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -57:sc= 0.363 USER MOD Single : A 68 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 80 CYS SG : rot 71:sc= -2.43! USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 0.436 (180deg=-0.5!) USER MOD Single : A 87 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.2) USER MOD Single : A 88 CYS SG : rot -140:sc= 0 USER MOD Single : A 90 SER OG : rot -160:sc= -0.19 USER MOD Single : A 94 TYR OH : rot -139:sc= 0.588 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= 0.617 (180deg=0.319) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 1.33 (180deg=1.33) USER MOD Single : A 102 SER OG : rot 180:sc= 0.191 USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0786) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0.861 K(o=0.86,f=-7.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0969 USER MOD Single : A 116 GLN : amide:sc= -0.0215 K(o=-0.022,f=-0.83) USER MOD Single : A 120 HIS : no HD1:sc= -0.577 K(o=-0.58,f=-1.4) USER MOD Single : A 121 CYS SG : rot 58:sc= 0.527 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.6 K(o=1.6,f=-6.1!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.55 K(o=0.55,f=-0.57) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc= 1.17 (180deg=1.07) USER MOD Single : B 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00541) USER MOD Single : B 36 THR OG1 : rot -79:sc= 1.33 USER MOD Single : B 38 LYS NZ :NH3+ -156:sc= 1.19 (180deg=1.15) USER MOD Single : B 39 THR OG1 : rot -55:sc= 1.46 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.987 K(o=0.99,f=-6.2!) USER MOD Single : B 52 SER OG : rot -140:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0.11 USER MOD Single : B 55 GLN : amide:sc= 1.22 K(o=1.2,f=-0.17) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.17) USER MOD Single : B 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0661) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ -150:sc= -7.24! (180deg=-9.16!) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.359 X(o=0.36,f=-0.048) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 93 HIS : no HD1:sc=-0.00186 X(o=-0.0019,f=-0.012) USER MOD Single : B 97 THR OG1 : rot 97:sc= 1.24 USER MOD Single : B 99 HIS : no HD1:sc= -2.19 K(o=-0.72,f=-8.6!) USER MOD Single : B 103 LYS NZ :NH3+ 157:sc= 0.781 (180deg=0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.470 21.831 8.169 1.00 0.79 N ATOM 2 CA LYS A 21 -13.553 20.825 8.141 1.00 0.63 C ATOM 3 C LYS A 21 -13.069 19.545 7.476 1.00 0.53 C ATOM 4 O LYS A 21 -11.948 19.484 6.976 1.00 0.61 O ATOM 5 CB LYS A 21 -14.769 21.375 7.389 1.00 0.62 C ATOM 6 CG LYS A 21 -14.538 21.566 5.895 1.00 0.66 C ATOM 7 CD LYS A 21 -15.767 22.142 5.204 1.00 0.77 C ATOM 8 CE LYS A 21 -15.986 23.599 5.586 1.00 0.90 C ATOM 9 NZ LYS A 21 -17.106 24.220 4.828 1.00 1.10 N ATOM 0 HA LYS A 21 -13.843 20.601 9.168 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.610 20.696 7.533 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -15.053 22.332 7.828 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.688 22.231 5.740 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -14.280 20.609 5.441 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.650 22.061 4.123 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.646 21.557 5.474 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.193 23.665 6.654 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -15.071 24.162 5.403 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.217 25.211 5.122 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.899 24.182 3.810 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.986 23.701 5.022 1.00 1.10 H new ATOM 23 N TYR A 22 -13.913 18.522 7.475 1.00 0.49 N ATOM 24 CA TYR A 22 -13.563 17.253 6.859 1.00 0.49 C ATOM 25 C TYR A 22 -14.080 17.225 5.428 1.00 0.47 C ATOM 26 O TYR A 22 -15.184 17.702 5.157 1.00 0.57 O ATOM 27 CB TYR A 22 -14.155 16.083 7.653 1.00 0.56 C ATOM 28 CG TYR A 22 -14.008 16.215 9.158 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.819 16.649 9.732 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.064 15.900 10.004 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.688 16.769 11.103 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.943 16.015 11.377 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.754 16.449 11.922 1.00 0.65 C ATOM 34 OH TYR A 22 -13.629 16.567 13.290 1.00 0.75 O ATOM 0 H TYR A 22 -14.843 18.548 7.894 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.478 17.150 6.857 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.213 15.992 7.409 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.673 15.160 7.332 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.982 16.897 9.096 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.997 15.559 9.581 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.758 17.111 11.532 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.776 15.766 12.018 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.470 16.304 13.719 1.00 0.75 H new ATOM 44 N LEU A 23 -13.288 16.677 4.518 1.00 0.41 N ATOM 45 CA LEU A 23 -13.672 16.602 3.113 1.00 0.43 C ATOM 46 C LEU A 23 -14.818 15.613 2.934 1.00 0.43 C ATOM 47 O LEU A 23 -15.856 15.935 2.357 1.00 0.52 O ATOM 48 CB LEU A 23 -12.473 16.182 2.254 1.00 0.45 C ATOM 49 CG LEU A 23 -11.164 16.922 2.547 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.029 16.344 1.720 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.317 18.406 2.262 1.00 0.70 C ATOM 0 H LEU A 23 -12.373 16.277 4.726 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.004 17.588 2.789 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.305 15.114 2.392 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.729 16.332 1.205 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.926 16.792 3.603 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.107 16.882 1.941 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.901 15.289 1.964 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.263 16.445 0.660 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.378 18.916 2.476 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.578 18.550 1.214 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.105 18.818 2.892 1.00 0.70 H new ATOM 63 N VAL A 24 -14.616 14.408 3.439 1.00 0.42 N ATOM 64 CA VAL A 24 -15.621 13.357 3.368 1.00 0.46 C ATOM 65 C VAL A 24 -15.738 12.696 4.729 1.00 0.43 C ATOM 66 O VAL A 24 -14.724 12.426 5.372 1.00 0.44 O ATOM 67 CB VAL A 24 -15.268 12.277 2.316 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.417 11.292 2.148 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.906 12.912 0.981 1.00 0.76 C ATOM 0 H VAL A 24 -13.754 14.130 3.909 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.563 13.817 3.070 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.397 11.730 2.676 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.148 10.542 1.404 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.619 10.802 3.101 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.308 11.826 1.819 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.662 12.131 0.261 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.751 13.494 0.614 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.044 13.567 1.111 1.00 0.76 H new ATOM 79 N GLU A 25 -16.961 12.451 5.180 1.00 0.45 N ATOM 80 CA GLU A 25 -17.173 11.814 6.472 1.00 0.45 C ATOM 81 C GLU A 25 -18.439 10.964 6.461 1.00 0.47 C ATOM 82 O GLU A 25 -19.413 11.289 5.781 1.00 0.55 O ATOM 83 CB GLU A 25 -17.256 12.865 7.584 1.00 0.49 C ATOM 84 CG GLU A 25 -18.292 13.950 7.330 1.00 0.56 C ATOM 85 CD GLU A 25 -18.912 14.477 8.607 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.262 15.287 9.300 1.00 0.95 O ATOM 87 OE2 GLU A 25 -20.059 14.085 8.921 1.00 0.96 O ATOM 0 H GLU A 25 -17.816 12.682 4.674 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.322 11.162 6.667 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.489 12.367 8.525 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.278 13.331 7.704 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.824 14.774 6.791 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.077 13.553 6.687 1.00 0.56 H new ATOM 94 N PHE A 26 -18.410 9.868 7.207 1.00 0.43 N ATOM 95 CA PHE A 26 -19.558 8.978 7.315 1.00 0.46 C ATOM 96 C PHE A 26 -19.462 8.146 8.586 1.00 0.45 C ATOM 97 O PHE A 26 -18.382 8.009 9.166 1.00 0.44 O ATOM 98 CB PHE A 26 -19.695 8.075 6.081 1.00 0.47 C ATOM 99 CG PHE A 26 -18.473 7.266 5.736 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.273 6.015 6.294 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.538 7.751 4.836 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.163 5.262 5.962 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.425 7.004 4.503 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.237 5.758 5.066 1.00 0.51 C ATOM 0 H PHE A 26 -17.598 9.573 7.750 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.455 9.595 7.366 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.529 7.392 6.242 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.953 8.696 5.223 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.993 5.623 6.997 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.681 8.724 4.390 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -17.020 4.287 6.403 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -15.702 7.395 3.802 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.368 5.172 4.806 1.00 0.51 H new ATOM 114 N ARG A 27 -20.587 7.596 9.013 1.00 0.47 N ATOM 115 CA ARG A 27 -20.633 6.789 10.221 1.00 0.47 C ATOM 116 C ARG A 27 -20.377 5.320 9.899 1.00 0.45 C ATOM 117 O ARG A 27 -21.172 4.677 9.208 1.00 0.46 O ATOM 118 CB ARG A 27 -21.988 6.967 10.909 1.00 0.51 C ATOM 119 CG ARG A 27 -22.256 8.402 11.344 1.00 0.55 C ATOM 120 CD ARG A 27 -23.739 8.663 11.551 1.00 0.61 C ATOM 121 NE ARG A 27 -24.481 8.661 10.289 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.671 9.238 10.125 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.244 9.884 11.135 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.289 9.156 8.953 1.00 0.77 N ATOM 0 H ARG A 27 -21.484 7.695 8.538 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.848 7.123 10.899 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.778 6.646 10.230 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -22.034 6.315 11.781 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.718 8.607 12.270 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.868 9.088 10.591 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.151 7.903 12.214 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.871 9.624 12.047 1.00 0.61 H new ATOM 0 HE ARG A 27 -24.062 8.190 9.487 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.773 9.939 12.038 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.155 10.325 11.007 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.853 8.652 8.181 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.200 9.597 8.825 1.00 0.77 H new ATOM 138 N ALA A 28 -19.265 4.798 10.394 1.00 0.44 N ATOM 139 CA ALA A 28 -18.895 3.411 10.155 1.00 0.43 C ATOM 140 C ALA A 28 -17.960 2.903 11.243 1.00 0.42 C ATOM 141 O ALA A 28 -17.203 3.673 11.842 1.00 0.44 O ATOM 142 CB ALA A 28 -18.243 3.266 8.788 1.00 0.42 C ATOM 0 H ALA A 28 -18.600 5.317 10.967 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.803 2.808 10.177 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.972 2.223 8.623 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.943 3.585 8.016 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -17.347 3.885 8.745 1.00 0.42 H new ATOM 148 N GLY A 29 -18.015 1.607 11.494 1.00 0.43 N ATOM 149 CA GLY A 29 -17.177 1.011 12.507 1.00 0.43 C ATOM 150 C GLY A 29 -15.993 0.294 11.896 1.00 0.41 C ATOM 151 O GLY A 29 -16.076 -0.197 10.773 1.00 0.46 O ATOM 0 H GLY A 29 -18.630 0.953 11.010 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.823 1.784 13.189 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.764 0.308 13.099 1.00 0.43 H new ATOM 155 N LYS A 30 -14.898 0.237 12.626 1.00 0.42 N ATOM 156 CA LYS A 30 -13.696 -0.425 12.142 1.00 0.42 C ATOM 157 C LYS A 30 -13.644 -1.863 12.639 1.00 0.41 C ATOM 158 O LYS A 30 -14.552 -2.323 13.330 1.00 0.45 O ATOM 159 CB LYS A 30 -12.450 0.335 12.601 1.00 0.48 C ATOM 160 CG LYS A 30 -12.285 0.382 14.112 1.00 0.54 C ATOM 161 CD LYS A 30 -10.995 1.075 14.515 1.00 0.67 C ATOM 162 CE LYS A 30 -10.842 1.108 16.023 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.611 1.823 16.449 1.00 0.60 N ATOM 0 H LYS A 30 -14.812 0.641 13.559 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.722 -0.433 11.052 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.568 -0.132 12.162 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.495 1.354 12.217 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.133 0.905 14.555 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.293 -0.632 14.511 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.146 0.556 14.071 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.987 2.092 14.123 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -11.713 1.594 16.464 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -10.818 0.088 16.406 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -9.769 2.264 17.378 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.823 1.148 16.516 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.378 2.559 15.752 1.00 0.60 H new ATOM 177 N MET A 31 -12.593 -2.576 12.272 1.00 0.43 N ATOM 178 CA MET A 31 -12.419 -3.954 12.702 1.00 0.44 C ATOM 179 C MET A 31 -11.044 -4.121 13.329 1.00 0.46 C ATOM 180 O MET A 31 -10.097 -3.432 12.949 1.00 0.55 O ATOM 181 CB MET A 31 -12.586 -4.920 11.528 1.00 0.46 C ATOM 182 CG MET A 31 -13.941 -4.823 10.844 1.00 0.47 C ATOM 183 SD MET A 31 -14.392 -6.335 9.969 1.00 0.54 S ATOM 184 CE MET A 31 -16.014 -5.894 9.356 1.00 0.61 C ATOM 0 H MET A 31 -11.845 -2.223 11.675 1.00 0.43 H new ATOM 0 HA MET A 31 -13.186 -4.188 13.441 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.804 -4.725 10.794 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.441 -5.940 11.885 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.704 -4.599 11.589 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.929 -3.991 10.140 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.429 -6.729 8.791 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.670 -5.663 10.195 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.933 -5.022 8.708 1.00 0.61 H new ATOM 194 N SER A 32 -10.940 -5.026 14.288 1.00 0.49 N ATOM 195 CA SER A 32 -9.681 -5.271 14.975 1.00 0.52 C ATOM 196 C SER A 32 -9.179 -6.685 14.700 1.00 0.52 C ATOM 197 O SER A 32 -9.938 -7.652 14.798 1.00 0.54 O ATOM 198 CB SER A 32 -9.871 -5.060 16.478 1.00 0.59 C ATOM 199 OG SER A 32 -10.807 -4.021 16.719 1.00 0.93 O ATOM 0 H SER A 32 -11.715 -5.606 14.610 1.00 0.49 H new ATOM 0 HA SER A 32 -8.935 -4.570 14.602 1.00 0.52 H new ATOM 0 HB2 SER A 32 -10.218 -5.984 16.940 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.916 -4.811 16.940 1.00 0.59 H new ATOM 0 HG SER A 32 -10.919 -3.899 17.685 1.00 0.93 H new ATOM 205 N LEU A 33 -7.907 -6.802 14.343 1.00 0.54 N ATOM 206 CA LEU A 33 -7.314 -8.099 14.062 1.00 0.56 C ATOM 207 C LEU A 33 -6.803 -8.733 15.347 1.00 0.58 C ATOM 208 O LEU A 33 -5.657 -8.521 15.752 1.00 0.63 O ATOM 209 CB LEU A 33 -6.172 -7.969 13.048 1.00 0.58 C ATOM 210 CG LEU A 33 -5.501 -9.286 12.640 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.472 -10.178 11.885 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.260 -9.009 11.801 1.00 0.67 C ATOM 0 H LEU A 33 -7.268 -6.014 14.242 1.00 0.54 H new ATOM 0 HA LEU A 33 -8.084 -8.740 13.632 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.559 -7.485 12.151 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.412 -7.308 13.465 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.197 -9.812 13.545 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.972 -11.106 11.607 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.328 -10.404 12.521 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.813 -9.665 10.985 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.794 -9.953 11.518 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.543 -8.461 10.902 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.554 -8.415 12.381 1.00 0.67 H new ATOM 224 N LYS A 34 -7.671 -9.487 16.000 1.00 0.59 N ATOM 225 CA LYS A 34 -7.318 -10.167 17.231 1.00 0.63 C ATOM 226 C LYS A 34 -6.599 -11.464 16.893 1.00 0.65 C ATOM 227 O LYS A 34 -7.228 -12.514 16.737 1.00 0.68 O ATOM 228 CB LYS A 34 -8.572 -10.449 18.066 1.00 0.66 C ATOM 229 CG LYS A 34 -9.281 -9.195 18.550 1.00 0.68 C ATOM 230 CD LYS A 34 -10.546 -9.539 19.317 1.00 0.76 C ATOM 231 CE LYS A 34 -11.063 -8.354 20.115 1.00 0.84 C ATOM 232 NZ LYS A 34 -12.083 -8.764 21.121 1.00 1.01 N ATOM 0 H LYS A 34 -8.631 -9.643 15.694 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.658 -9.531 17.821 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.267 -11.042 17.472 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.294 -11.054 18.929 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.611 -8.619 19.188 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.530 -8.563 17.697 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -11.315 -9.870 18.619 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -10.347 -10.372 19.991 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.230 -7.866 20.621 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.497 -7.621 19.436 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.410 -7.927 21.644 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.890 -9.207 20.637 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.662 -9.444 21.785 1.00 1.01 H new ATOM 246 N GLY A 35 -5.285 -11.377 16.739 1.00 0.66 N ATOM 247 CA GLY A 35 -4.498 -12.540 16.395 1.00 0.70 C ATOM 248 C GLY A 35 -4.651 -12.889 14.932 1.00 0.70 C ATOM 249 O GLY A 35 -3.864 -12.446 14.094 1.00 0.75 O ATOM 0 H GLY A 35 -4.749 -10.516 16.847 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.448 -12.351 16.619 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.808 -13.386 17.008 1.00 0.70 H new ATOM 253 N THR A 36 -5.673 -13.671 14.625 1.00 0.68 N ATOM 254 CA THR A 36 -5.950 -14.065 13.256 1.00 0.70 C ATOM 255 C THR A 36 -7.435 -13.878 12.942 1.00 0.68 C ATOM 256 O THR A 36 -7.883 -14.143 11.825 1.00 0.72 O ATOM 257 CB THR A 36 -5.540 -15.533 12.989 1.00 0.75 C ATOM 258 OG1 THR A 36 -5.719 -15.862 11.604 1.00 0.82 O ATOM 259 CG2 THR A 36 -6.348 -16.498 13.843 1.00 0.77 C ATOM 0 H THR A 36 -6.327 -14.047 15.311 1.00 0.68 H new ATOM 0 HA THR A 36 -5.356 -13.425 12.604 1.00 0.70 H new ATOM 0 HB THR A 36 -4.487 -15.630 13.253 1.00 0.75 H new ATOM 0 HG1 THR A 36 -6.441 -15.316 11.229 1.00 0.82 H new ATOM 0 HG21 THR A 36 -6.035 -17.521 13.631 1.00 0.77 H new ATOM 0 HG22 THR A 36 -6.181 -16.278 14.897 1.00 0.77 H new ATOM 0 HG23 THR A 36 -7.408 -16.388 13.613 1.00 0.77 H new ATOM 267 N THR A 37 -8.192 -13.408 13.929 1.00 0.66 N ATOM 268 CA THR A 37 -9.619 -13.195 13.758 1.00 0.66 C ATOM 269 C THR A 37 -9.939 -11.713 13.616 1.00 0.61 C ATOM 270 O THR A 37 -9.544 -10.898 14.449 1.00 0.61 O ATOM 271 CB THR A 37 -10.416 -13.764 14.949 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.939 -15.078 15.280 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.902 -13.833 14.620 1.00 0.81 C ATOM 0 H THR A 37 -7.837 -13.168 14.855 1.00 0.66 H new ATOM 0 HA THR A 37 -9.911 -13.718 12.847 1.00 0.66 H new ATOM 0 HB THR A 37 -10.274 -13.100 15.801 1.00 0.71 H new ATOM 0 HG1 THR A 37 -10.450 -15.430 16.038 1.00 0.79 H new ATOM 0 HG21 THR A 37 -12.445 -14.237 15.474 1.00 0.81 H new ATOM 0 HG22 THR A 37 -12.272 -12.833 14.395 1.00 0.81 H new ATOM 0 HG23 THR A 37 -12.054 -14.479 13.755 1.00 0.81 H new ATOM 281 N VAL A 38 -10.653 -11.371 12.554 1.00 0.60 N ATOM 282 CA VAL A 38 -11.041 -9.992 12.309 1.00 0.57 C ATOM 283 C VAL A 38 -12.382 -9.708 12.978 1.00 0.57 C ATOM 284 O VAL A 38 -13.444 -9.986 12.415 1.00 0.64 O ATOM 285 CB VAL A 38 -11.139 -9.687 10.798 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.306 -8.194 10.565 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.913 -10.210 10.066 1.00 0.61 C ATOM 0 H VAL A 38 -10.976 -12.032 11.847 1.00 0.60 H new ATOM 0 HA VAL A 38 -10.271 -9.347 12.732 1.00 0.57 H new ATOM 0 HB VAL A 38 -12.017 -10.196 10.401 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.373 -7.998 9.495 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.216 -7.849 11.055 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.448 -7.663 10.978 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -10.001 -9.986 9.003 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -9.019 -9.731 10.465 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.839 -11.289 10.204 1.00 0.61 H new ATOM 297 N THR A 39 -12.325 -9.179 14.192 1.00 0.56 N ATOM 298 CA THR A 39 -13.526 -8.871 14.953 1.00 0.58 C ATOM 299 C THR A 39 -13.937 -7.410 14.758 1.00 0.55 C ATOM 300 O THR A 39 -13.149 -6.499 15.017 1.00 0.55 O ATOM 301 CB THR A 39 -13.293 -9.136 16.454 1.00 0.64 C ATOM 302 OG1 THR A 39 -12.398 -10.248 16.616 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.603 -9.432 17.169 1.00 0.74 C ATOM 0 H THR A 39 -11.454 -8.953 14.673 1.00 0.56 H new ATOM 0 HA THR A 39 -14.325 -9.516 14.588 1.00 0.58 H new ATOM 0 HB THR A 39 -12.855 -8.240 16.894 1.00 0.64 H new ATOM 0 HG1 THR A 39 -12.709 -10.814 17.353 1.00 0.67 H new ATOM 0 HG21 THR A 39 -14.408 -9.615 18.226 1.00 0.74 H new ATOM 0 HG22 THR A 39 -15.274 -8.579 17.066 1.00 0.74 H new ATOM 0 HG23 THR A 39 -15.067 -10.314 16.728 1.00 0.74 H new ATOM 311 N PRO A 40 -15.167 -7.164 14.279 1.00 0.55 N ATOM 312 CA PRO A 40 -15.672 -5.806 14.061 1.00 0.54 C ATOM 313 C PRO A 40 -15.894 -5.060 15.372 1.00 0.56 C ATOM 314 O PRO A 40 -16.272 -5.661 16.381 1.00 0.63 O ATOM 315 CB PRO A 40 -17.013 -6.015 13.346 1.00 0.56 C ATOM 316 CG PRO A 40 -17.044 -7.449 12.940 1.00 0.65 C ATOM 317 CD PRO A 40 -16.159 -8.181 13.906 1.00 0.58 C ATOM 0 HA PRO A 40 -14.964 -5.204 13.492 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.848 -5.778 14.006 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -17.098 -5.362 12.478 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -18.061 -7.840 12.972 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.687 -7.571 11.917 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.716 -8.539 14.772 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.692 -9.051 13.446 1.00 0.58 H new ATOM 325 N ASP A 41 -15.643 -3.756 15.355 1.00 0.53 N ATOM 326 CA ASP A 41 -15.834 -2.922 16.533 1.00 0.56 C ATOM 327 C ASP A 41 -17.310 -2.585 16.673 1.00 0.58 C ATOM 328 O ASP A 41 -17.960 -2.219 15.694 1.00 0.66 O ATOM 329 CB ASP A 41 -15.008 -1.637 16.434 1.00 0.57 C ATOM 330 CG ASP A 41 -14.691 -1.044 17.792 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.626 -0.826 18.589 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.498 -0.805 18.073 1.00 0.68 O ATOM 0 H ASP A 41 -15.305 -3.253 14.534 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.497 -3.471 17.412 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -14.077 -1.847 15.907 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.553 -0.904 15.839 1.00 0.57 H new ATOM 337 N LYS A 42 -17.830 -2.712 17.882 1.00 0.61 N ATOM 338 CA LYS A 42 -19.240 -2.452 18.144 1.00 0.64 C ATOM 339 C LYS A 42 -19.493 -0.981 18.467 1.00 0.64 C ATOM 340 O LYS A 42 -20.641 -0.562 18.646 1.00 0.76 O ATOM 341 CB LYS A 42 -19.723 -3.339 19.293 1.00 0.71 C ATOM 342 CG LYS A 42 -19.607 -4.826 18.993 1.00 0.72 C ATOM 343 CD LYS A 42 -19.866 -5.674 20.228 1.00 0.84 C ATOM 344 CE LYS A 42 -19.742 -7.156 19.909 1.00 0.90 C ATOM 345 NZ LYS A 42 -19.729 -7.991 21.139 1.00 1.08 N ATOM 0 H LYS A 42 -17.296 -2.995 18.703 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.801 -2.689 17.240 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.145 -3.110 20.188 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.763 -3.100 19.515 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -20.318 -5.095 18.212 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.611 -5.042 18.606 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.157 -5.407 21.012 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.863 -5.464 20.615 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.573 -7.461 19.273 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -18.827 -7.330 19.343 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -19.643 -8.994 20.877 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.921 -7.719 21.735 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -20.613 -7.846 21.667 1.00 1.08 H new ATOM 359 N ARG A 43 -18.424 -0.198 18.542 1.00 0.58 N ATOM 360 CA ARG A 43 -18.542 1.224 18.843 1.00 0.58 C ATOM 361 C ARG A 43 -18.916 2.016 17.597 1.00 0.55 C ATOM 362 O ARG A 43 -18.531 1.663 16.482 1.00 0.55 O ATOM 363 CB ARG A 43 -17.234 1.766 19.419 1.00 0.58 C ATOM 364 CG ARG A 43 -16.876 1.187 20.774 1.00 0.60 C ATOM 365 CD ARG A 43 -15.494 1.640 21.212 1.00 0.60 C ATOM 366 NE ARG A 43 -14.463 1.208 20.275 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.319 1.858 20.074 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.055 2.978 20.734 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.435 1.383 19.213 1.00 0.57 N ATOM 0 H ARG A 43 -17.468 -0.522 18.399 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.333 1.339 19.584 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.425 1.556 18.719 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.307 2.850 19.505 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.615 1.497 21.513 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.908 0.098 20.728 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.477 2.727 21.296 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.277 1.240 22.202 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.629 0.355 19.741 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.731 3.348 21.402 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.176 3.469 20.574 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.631 0.521 18.705 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.558 1.879 19.057 1.00 0.57 H new ATOM 383 N LYS A 44 -19.676 3.080 17.795 1.00 0.57 N ATOM 384 CA LYS A 44 -20.093 3.940 16.698 1.00 0.56 C ATOM 385 C LYS A 44 -18.956 4.889 16.338 1.00 0.53 C ATOM 386 O LYS A 44 -18.611 5.781 17.112 1.00 0.59 O ATOM 387 CB LYS A 44 -21.351 4.723 17.088 1.00 0.62 C ATOM 388 CG LYS A 44 -22.579 3.841 17.267 1.00 0.70 C ATOM 389 CD LYS A 44 -23.762 4.621 17.816 1.00 0.79 C ATOM 390 CE LYS A 44 -24.993 3.736 17.944 1.00 0.93 C ATOM 391 NZ LYS A 44 -26.119 4.438 18.611 1.00 1.07 N ATOM 0 H LYS A 44 -20.019 3.371 18.711 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.331 3.329 15.828 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -21.161 5.262 18.016 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.558 5.470 16.322 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.850 3.397 16.309 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -22.341 3.020 17.943 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.506 5.036 18.791 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.983 5.462 17.159 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -25.307 3.407 16.953 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.738 2.841 18.511 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.936 3.798 18.677 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.829 4.729 19.566 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.381 5.278 18.057 1.00 1.07 H new ATOM 405 N GLY A 45 -18.371 4.697 15.169 1.00 0.52 N ATOM 406 CA GLY A 45 -17.257 5.531 14.765 1.00 0.51 C ATOM 407 C GLY A 45 -17.581 6.466 13.622 1.00 0.48 C ATOM 408 O GLY A 45 -18.641 6.366 12.998 1.00 0.50 O ATOM 0 H GLY A 45 -18.644 3.983 14.494 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.926 6.119 15.621 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.423 4.892 14.475 1.00 0.51 H new ATOM 412 N LEU A 46 -16.665 7.386 13.370 1.00 0.46 N ATOM 413 CA LEU A 46 -16.806 8.364 12.309 1.00 0.45 C ATOM 414 C LEU A 46 -15.553 8.371 11.447 1.00 0.41 C ATOM 415 O LEU A 46 -14.462 8.692 11.921 1.00 0.42 O ATOM 416 CB LEU A 46 -17.046 9.756 12.903 1.00 0.47 C ATOM 417 CG LEU A 46 -17.268 10.875 11.884 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.657 10.774 11.269 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.060 12.233 12.539 1.00 0.59 C ATOM 0 H LEU A 46 -15.798 7.474 13.900 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.662 8.097 11.690 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.915 9.708 13.559 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.191 10.019 13.526 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.538 10.766 11.082 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.795 11.579 10.547 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.763 9.813 10.766 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.409 10.858 12.053 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.221 13.021 11.803 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.767 12.353 13.360 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.043 12.299 12.924 1.00 0.59 H new ATOM 431 N VAL A 47 -15.711 7.995 10.191 1.00 0.40 N ATOM 432 CA VAL A 47 -14.597 7.966 9.256 1.00 0.39 C ATOM 433 C VAL A 47 -14.572 9.264 8.467 1.00 0.37 C ATOM 434 O VAL A 47 -15.517 9.567 7.734 1.00 0.40 O ATOM 435 CB VAL A 47 -14.702 6.780 8.274 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.418 6.629 7.472 1.00 0.57 C ATOM 437 CG2 VAL A 47 -15.028 5.492 9.014 1.00 0.43 C ATOM 0 H VAL A 47 -16.603 7.704 9.792 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.679 7.847 9.832 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.516 6.987 7.579 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.514 5.787 6.786 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.235 7.541 6.904 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.584 6.451 8.151 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -15.097 4.670 8.301 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -14.241 5.279 9.738 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.980 5.602 9.534 1.00 0.43 H new ATOM 447 N TYR A 48 -13.506 10.033 8.614 1.00 0.37 N ATOM 448 CA TYR A 48 -13.403 11.303 7.916 1.00 0.37 C ATOM 449 C TYR A 48 -12.040 11.483 7.257 1.00 0.34 C ATOM 450 O TYR A 48 -11.020 10.989 7.746 1.00 0.36 O ATOM 451 CB TYR A 48 -13.675 12.465 8.878 1.00 0.43 C ATOM 452 CG TYR A 48 -12.669 12.590 9.999 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.794 11.837 11.155 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.594 13.462 9.898 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.876 11.949 12.177 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.670 13.580 10.917 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.817 12.821 12.055 1.00 0.64 C ATOM 458 OH TYR A 48 -9.903 12.929 13.074 1.00 0.78 O ATOM 0 H TYR A 48 -12.707 9.803 9.205 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.156 11.301 7.128 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.688 13.396 8.311 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.668 12.340 9.309 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -13.623 11.152 11.257 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.478 14.059 9.006 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -11.987 11.354 13.072 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.839 14.263 10.822 1.00 0.54 H new ATOM 0 HH TYR A 48 -9.218 13.586 12.831 1.00 0.78 H new ATOM 468 N ILE A 49 -12.046 12.195 6.143 1.00 0.33 N ATOM 469 CA ILE A 49 -10.837 12.480 5.394 1.00 0.32 C ATOM 470 C ILE A 49 -10.524 13.971 5.478 1.00 0.30 C ATOM 471 O ILE A 49 -11.357 14.805 5.114 1.00 0.35 O ATOM 472 CB ILE A 49 -10.996 12.074 3.913 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.251 10.567 3.795 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.764 12.472 3.116 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.649 10.123 2.403 1.00 0.69 C ATOM 0 H ILE A 49 -12.891 12.592 5.733 1.00 0.33 H new ATOM 0 HA ILE A 49 -10.021 11.902 5.827 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.856 12.602 3.501 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.350 10.031 4.094 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.037 10.285 4.495 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.894 12.178 2.074 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.626 13.552 3.174 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.887 11.972 3.528 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.813 9.045 2.398 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.567 10.631 2.108 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.854 10.373 1.700 1.00 0.69 H new ATOM 487 N GLN A 50 -9.345 14.302 5.977 1.00 0.30 N ATOM 488 CA GLN A 50 -8.937 15.692 6.110 1.00 0.33 C ATOM 489 C GLN A 50 -7.589 15.916 5.435 1.00 0.30 C ATOM 490 O GLN A 50 -6.827 14.970 5.225 1.00 0.36 O ATOM 491 CB GLN A 50 -8.859 16.077 7.589 1.00 0.42 C ATOM 492 CG GLN A 50 -8.912 17.577 7.838 1.00 0.51 C ATOM 493 CD GLN A 50 -8.915 17.921 9.312 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.343 17.206 10.130 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.554 19.024 9.661 1.00 0.86 N ATOM 0 H GLN A 50 -8.652 13.626 6.298 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.679 16.323 5.620 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.682 15.601 8.122 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.935 15.681 8.009 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -8.056 18.052 7.359 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.807 17.988 7.371 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -10.017 19.591 8.951 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.584 19.308 10.640 1.00 0.86 H new ATOM 504 N GLN A 51 -7.301 17.162 5.095 1.00 0.37 N ATOM 505 CA GLN A 51 -6.047 17.505 4.441 1.00 0.37 C ATOM 506 C GLN A 51 -5.247 18.478 5.306 1.00 0.39 C ATOM 507 O GLN A 51 -5.805 19.425 5.864 1.00 0.51 O ATOM 508 CB GLN A 51 -6.320 18.131 3.073 1.00 0.44 C ATOM 509 CG GLN A 51 -5.085 18.275 2.202 1.00 0.52 C ATOM 510 CD GLN A 51 -5.227 19.388 1.181 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.871 20.408 1.439 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.642 19.197 0.012 1.00 0.93 N ATOM 0 H GLN A 51 -7.920 17.955 5.261 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.466 16.593 4.305 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.054 17.522 2.546 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.767 19.115 3.218 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.219 18.473 2.833 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.895 17.334 1.686 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.118 18.339 -0.162 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.714 19.907 -0.716 1.00 0.93 H new ATOM 521 N THR A 52 -3.950 18.238 5.424 1.00 0.38 N ATOM 522 CA THR A 52 -3.086 19.096 6.219 1.00 0.45 C ATOM 523 C THR A 52 -2.393 20.149 5.347 1.00 0.36 C ATOM 524 O THR A 52 -2.480 20.099 4.117 1.00 0.33 O ATOM 525 CB THR A 52 -2.043 18.246 6.965 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.780 17.052 6.221 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.540 17.877 8.356 1.00 0.80 C ATOM 0 H THR A 52 -3.472 17.455 4.978 1.00 0.38 H new ATOM 0 HA THR A 52 -3.704 19.622 6.947 1.00 0.45 H new ATOM 0 HB THR A 52 -1.128 18.830 7.067 1.00 0.59 H new ATOM 0 HG1 THR A 52 -0.862 17.075 5.880 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.786 17.276 8.864 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.727 18.786 8.929 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.464 17.305 8.272 1.00 0.80 H new ATOM 535 N ASP A 53 -1.707 21.099 5.989 1.00 0.40 N ATOM 536 CA ASP A 53 -1.005 22.180 5.282 1.00 0.41 C ATOM 537 C ASP A 53 0.093 21.655 4.367 1.00 0.39 C ATOM 538 O ASP A 53 0.473 22.317 3.399 1.00 0.52 O ATOM 539 CB ASP A 53 -0.402 23.174 6.274 1.00 0.52 C ATOM 540 CG ASP A 53 0.575 22.532 7.237 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.130 22.025 8.289 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.794 22.537 6.958 1.00 0.74 O ATOM 0 H ASP A 53 -1.621 21.143 7.004 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.750 22.682 4.664 1.00 0.41 H new ATOM 0 HB2 ASP A 53 0.107 23.965 5.723 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.205 23.646 6.841 1.00 0.52 H new ATOM 547 N ASP A 54 0.603 20.471 4.671 1.00 0.42 N ATOM 548 CA ASP A 54 1.652 19.857 3.865 1.00 0.55 C ATOM 549 C ASP A 54 1.049 19.183 2.639 1.00 0.45 C ATOM 550 O ASP A 54 1.748 18.530 1.861 1.00 0.52 O ATOM 551 CB ASP A 54 2.464 18.843 4.683 1.00 0.73 C ATOM 552 CG ASP A 54 1.604 17.946 5.550 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.465 17.638 5.154 1.00 0.65 O ATOM 554 OD2 ASP A 54 2.068 17.549 6.641 1.00 1.10 O ATOM 0 H ASP A 54 0.307 19.913 5.472 1.00 0.42 H new ATOM 0 HA ASP A 54 2.330 20.646 3.540 1.00 0.55 H new ATOM 0 HB2 ASP A 54 3.051 18.225 4.003 1.00 0.73 H new ATOM 0 HB3 ASP A 54 3.170 19.380 5.316 1.00 0.73 H new ATOM 559 N SER A 55 -0.262 19.363 2.482 1.00 0.36 N ATOM 560 CA SER A 55 -1.010 18.805 1.366 1.00 0.40 C ATOM 561 C SER A 55 -0.984 17.282 1.404 1.00 0.37 C ATOM 562 O SER A 55 -0.697 16.623 0.404 1.00 0.52 O ATOM 563 CB SER A 55 -0.461 19.329 0.034 1.00 0.57 C ATOM 564 OG SER A 55 -0.407 20.748 0.028 1.00 0.66 O ATOM 0 H SER A 55 -0.834 19.903 3.131 1.00 0.36 H new ATOM 0 HA SER A 55 -2.048 19.125 1.456 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.536 18.923 -0.137 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.091 18.982 -0.785 1.00 0.57 H new ATOM 0 HG SER A 55 -0.052 21.058 -0.831 1.00 0.66 H new ATOM 570 N LEU A 56 -1.269 16.731 2.574 1.00 0.28 N ATOM 571 CA LEU A 56 -1.310 15.290 2.749 1.00 0.31 C ATOM 572 C LEU A 56 -2.699 14.857 3.185 1.00 0.27 C ATOM 573 O LEU A 56 -3.276 15.427 4.114 1.00 0.30 O ATOM 574 CB LEU A 56 -0.263 14.837 3.769 1.00 0.38 C ATOM 575 CG LEU A 56 1.178 14.849 3.256 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.152 14.530 4.375 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.341 13.856 2.117 1.00 0.48 C ATOM 0 H LEU A 56 -1.476 17.264 3.419 1.00 0.28 H new ATOM 0 HA LEU A 56 -1.078 14.819 1.794 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.327 15.482 4.646 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.509 13.827 4.097 1.00 0.38 H new ATOM 0 HG LEU A 56 1.400 15.850 2.885 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.170 14.544 3.986 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.055 15.274 5.165 1.00 0.49 H new ATOM 0 HD13 LEU A 56 1.932 13.542 4.778 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.371 13.875 1.762 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.098 12.854 2.470 1.00 0.48 H new ATOM 0 HD23 LEU A 56 0.671 14.125 1.301 1.00 0.48 H new ATOM 589 N ILE A 57 -3.240 13.871 2.495 1.00 0.27 N ATOM 590 CA ILE A 57 -4.562 13.352 2.803 1.00 0.26 C ATOM 591 C ILE A 57 -4.492 12.415 4.004 1.00 0.24 C ATOM 592 O ILE A 57 -3.690 11.483 4.029 1.00 0.29 O ATOM 593 CB ILE A 57 -5.160 12.610 1.588 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.325 13.567 0.400 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.493 11.971 1.941 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.257 14.731 0.673 1.00 0.57 C ATOM 0 H ILE A 57 -2.781 13.409 1.710 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.211 14.194 3.044 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.468 11.817 1.304 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.346 13.956 0.121 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.701 13.006 -0.456 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.892 11.455 1.068 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.350 11.256 2.751 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.194 12.743 2.258 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.321 15.361 -0.214 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.248 14.353 0.922 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.872 15.317 1.508 1.00 0.57 H new ATOM 608 N HIS A 58 -5.314 12.672 5.005 1.00 0.25 N ATOM 609 CA HIS A 58 -5.329 11.847 6.202 1.00 0.27 C ATOM 610 C HIS A 58 -6.602 11.020 6.286 1.00 0.27 C ATOM 611 O HIS A 58 -7.692 11.498 5.966 1.00 0.33 O ATOM 612 CB HIS A 58 -5.198 12.710 7.464 1.00 0.32 C ATOM 613 CG HIS A 58 -3.791 13.116 7.785 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.103 12.647 8.886 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.949 13.969 7.154 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.900 13.195 8.915 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.784 13.999 7.877 1.00 0.59 N ATOM 0 H HIS A 58 -5.980 13.445 5.014 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.475 11.172 6.139 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.805 13.607 7.342 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.608 12.160 8.311 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.466 11.982 9.570 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.156 14.522 6.250 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.141 13.014 9.662 1.00 0.61 H new ATOM 626 N PHE A 59 -6.441 9.773 6.692 1.00 0.27 N ATOM 627 CA PHE A 59 -7.556 8.856 6.872 1.00 0.28 C ATOM 628 C PHE A 59 -7.642 8.525 8.354 1.00 0.31 C ATOM 629 O PHE A 59 -6.823 7.760 8.875 1.00 0.36 O ATOM 630 CB PHE A 59 -7.339 7.583 6.048 1.00 0.31 C ATOM 631 CG PHE A 59 -8.599 6.801 5.778 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.478 7.203 4.785 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.896 5.661 6.509 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.631 6.485 4.530 1.00 0.92 C ATOM 635 CE2 PHE A 59 -10.045 4.938 6.257 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.915 5.351 5.267 1.00 0.94 C ATOM 0 H PHE A 59 -5.531 9.365 6.907 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.485 9.312 6.531 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.881 7.853 5.096 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.631 6.941 6.572 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.260 8.087 4.204 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.220 5.334 7.285 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.310 6.810 3.755 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.263 4.051 6.833 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.816 4.789 5.069 1.00 0.94 H new ATOM 646 N CYS A 60 -8.611 9.111 9.039 1.00 0.33 N ATOM 647 CA CYS A 60 -8.731 8.909 10.472 1.00 0.38 C ATOM 648 C CYS A 60 -10.084 8.344 10.891 1.00 0.38 C ATOM 649 O CYS A 60 -11.107 8.574 10.240 1.00 0.40 O ATOM 650 CB CYS A 60 -8.486 10.236 11.191 1.00 0.43 C ATOM 651 SG CYS A 60 -7.170 11.238 10.452 1.00 0.46 S ATOM 0 H CYS A 60 -9.318 9.723 8.631 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.982 8.169 10.753 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.411 10.813 11.194 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -8.234 10.033 12.232 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.889 12.234 11.239 1.00 0.46 H new ATOM 657 N TRP A 61 -10.053 7.600 11.988 1.00 0.39 N ATOM 658 CA TRP A 61 -11.243 7.007 12.577 1.00 0.39 C ATOM 659 C TRP A 61 -11.423 7.597 13.969 1.00 0.42 C ATOM 660 O TRP A 61 -10.596 7.380 14.859 1.00 0.45 O ATOM 661 CB TRP A 61 -11.117 5.479 12.661 1.00 0.40 C ATOM 662 CG TRP A 61 -12.397 4.797 13.054 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.398 4.394 12.220 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.812 4.434 14.380 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.413 3.812 12.942 1.00 0.45 N ATOM 666 CE2 TRP A 61 -14.076 3.824 14.270 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.242 4.575 15.650 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.774 3.349 15.379 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.934 4.100 16.749 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.191 3.497 16.606 1.00 0.52 C ATOM 0 H TRP A 61 -9.194 7.390 12.497 1.00 0.39 H new ATOM 0 HA TRP A 61 -12.109 7.228 11.953 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.791 5.095 11.695 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.341 5.225 13.383 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.394 4.515 11.147 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.276 3.433 12.553 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.278 5.047 15.770 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.741 2.881 15.272 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.499 4.195 17.733 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.710 3.142 17.484 1.00 0.52 H new ATOM 681 N LYS A 62 -12.490 8.351 14.149 1.00 0.46 N ATOM 682 CA LYS A 62 -12.753 9.003 15.420 1.00 0.50 C ATOM 683 C LYS A 62 -13.954 8.386 16.124 1.00 0.51 C ATOM 684 O LYS A 62 -15.001 8.163 15.514 1.00 0.51 O ATOM 685 CB LYS A 62 -12.971 10.500 15.169 1.00 0.57 C ATOM 686 CG LYS A 62 -13.526 11.284 16.345 1.00 0.63 C ATOM 687 CD LYS A 62 -13.675 12.753 15.977 1.00 0.75 C ATOM 688 CE LYS A 62 -14.393 13.540 17.057 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.501 14.981 16.705 1.00 1.04 N ATOM 0 H LYS A 62 -13.191 8.528 13.430 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.896 8.863 16.079 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.020 10.944 14.875 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.651 10.614 14.325 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.493 10.876 16.639 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.863 11.183 17.204 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.689 13.186 15.808 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.225 12.838 15.040 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -15.390 13.126 17.207 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.858 13.435 18.001 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.997 15.488 17.466 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.549 15.382 16.586 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.033 15.083 15.817 1.00 1.04 H new ATOM 703 N ASP A 63 -13.782 8.093 17.408 1.00 0.53 N ATOM 704 CA ASP A 63 -14.850 7.520 18.218 1.00 0.55 C ATOM 705 C ASP A 63 -15.900 8.592 18.491 1.00 0.57 C ATOM 706 O ASP A 63 -15.558 9.726 18.821 1.00 0.62 O ATOM 707 CB ASP A 63 -14.286 6.972 19.531 1.00 0.61 C ATOM 708 CG ASP A 63 -15.366 6.484 20.472 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.939 5.403 20.225 1.00 1.09 O ATOM 710 OD2 ASP A 63 -15.663 7.189 21.457 1.00 0.92 O ATOM 0 H ASP A 63 -12.908 8.244 17.912 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.312 6.693 17.679 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.602 6.152 19.314 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.704 7.750 20.025 1.00 0.61 H new ATOM 715 N ARG A 64 -17.170 8.243 18.360 1.00 0.58 N ATOM 716 CA ARG A 64 -18.243 9.215 18.556 1.00 0.61 C ATOM 717 C ARG A 64 -18.688 9.344 20.014 1.00 0.66 C ATOM 718 O ARG A 64 -19.553 10.162 20.328 1.00 0.75 O ATOM 719 CB ARG A 64 -19.432 8.867 17.663 1.00 0.63 C ATOM 720 CG ARG A 64 -19.249 9.319 16.223 1.00 0.63 C ATOM 721 CD ARG A 64 -20.011 8.437 15.248 1.00 0.65 C ATOM 722 NE ARG A 64 -21.453 8.487 15.462 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.300 7.554 15.041 1.00 0.91 C ATOM 724 NH1 ARG A 64 -21.854 6.490 14.379 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.597 7.680 15.282 1.00 1.14 N ATOM 0 H ARG A 64 -17.485 7.303 18.121 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.840 10.188 18.274 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.589 7.789 17.682 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.332 9.328 18.071 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -19.588 10.350 16.121 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.189 9.306 15.971 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.787 8.750 14.228 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -19.667 7.408 15.349 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.835 9.288 15.966 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -20.857 6.387 14.192 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -22.509 5.777 14.058 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.945 8.493 15.790 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.248 6.964 14.959 1.00 1.14 H new ATOM 739 N THR A 65 -18.112 8.555 20.908 1.00 0.68 N ATOM 740 CA THR A 65 -18.475 8.640 22.317 1.00 0.74 C ATOM 741 C THR A 65 -17.518 9.572 23.053 1.00 0.75 C ATOM 742 O THR A 65 -17.939 10.482 23.769 1.00 0.83 O ATOM 743 CB THR A 65 -18.461 7.259 23.002 1.00 0.76 C ATOM 744 OG1 THR A 65 -19.031 6.270 22.138 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.233 7.292 24.311 1.00 0.93 C ATOM 0 H THR A 65 -17.401 7.857 20.689 1.00 0.68 H new ATOM 0 HA THR A 65 -19.491 9.033 22.363 1.00 0.74 H new ATOM 0 HB THR A 65 -17.423 7.002 23.214 1.00 0.76 H new ATOM 0 HG1 THR A 65 -19.015 5.397 22.584 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.207 6.305 24.774 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.779 8.020 24.983 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.268 7.575 24.116 1.00 0.93 H new ATOM 753 N SER A 66 -16.230 9.344 22.859 1.00 0.71 N ATOM 754 CA SER A 66 -15.200 10.146 23.495 1.00 0.75 C ATOM 755 C SER A 66 -14.753 11.283 22.584 1.00 0.73 C ATOM 756 O SER A 66 -14.317 12.339 23.051 1.00 0.79 O ATOM 757 CB SER A 66 -14.005 9.261 23.840 1.00 0.75 C ATOM 758 OG SER A 66 -13.622 8.475 22.721 1.00 0.75 O ATOM 0 H SER A 66 -15.871 8.601 22.259 1.00 0.71 H new ATOM 0 HA SER A 66 -15.613 10.580 24.406 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.167 9.881 24.159 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.258 8.611 24.678 1.00 0.75 H new ATOM 0 HG SER A 66 -14.386 7.940 22.420 1.00 0.75 H new ATOM 764 N GLY A 67 -14.870 11.065 21.282 1.00 0.67 N ATOM 765 CA GLY A 67 -14.457 12.065 20.323 1.00 0.67 C ATOM 766 C GLY A 67 -12.964 12.013 20.089 1.00 0.65 C ATOM 767 O GLY A 67 -12.362 12.980 19.620 1.00 0.70 O ATOM 0 H GLY A 67 -15.245 10.209 20.873 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.981 11.908 19.380 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.737 13.055 20.682 1.00 0.67 H new ATOM 771 N ASN A 68 -12.371 10.872 20.411 1.00 0.63 N ATOM 772 CA ASN A 68 -10.938 10.681 20.251 1.00 0.63 C ATOM 773 C ASN A 68 -10.616 10.006 18.928 1.00 0.58 C ATOM 774 O ASN A 68 -11.351 9.130 18.466 1.00 0.58 O ATOM 775 CB ASN A 68 -10.378 9.838 21.402 1.00 0.68 C ATOM 776 CG ASN A 68 -10.331 10.593 22.713 1.00 0.85 C ATOM 777 OD1 ASN A 68 -10.181 11.813 22.737 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.447 9.871 23.813 1.00 1.01 N ATOM 0 H ASN A 68 -12.864 10.062 20.786 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.472 11.666 20.262 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.991 8.945 21.524 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.373 9.502 21.145 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.413 10.324 24.726 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.570 8.860 23.749 1.00 1.01 H new ATOM 785 N VAL A 69 -9.521 10.431 18.318 1.00 0.56 N ATOM 786 CA VAL A 69 -9.065 9.863 17.058 1.00 0.53 C ATOM 787 C VAL A 69 -8.121 8.702 17.341 1.00 0.51 C ATOM 788 O VAL A 69 -6.970 8.904 17.728 1.00 0.59 O ATOM 789 CB VAL A 69 -8.344 10.916 16.187 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.979 10.339 14.827 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.206 12.160 16.033 1.00 0.63 C ATOM 0 H VAL A 69 -8.925 11.176 18.680 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.938 9.514 16.507 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.419 11.199 16.690 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.473 11.100 14.233 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.317 9.483 14.961 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.885 10.020 14.312 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.683 12.891 15.417 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.149 11.892 15.557 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.404 12.589 17.015 1.00 0.63 H new ATOM 801 N GLU A 70 -8.614 7.484 17.173 1.00 0.49 N ATOM 802 CA GLU A 70 -7.810 6.300 17.444 1.00 0.51 C ATOM 803 C GLU A 70 -6.880 5.978 16.287 1.00 0.50 C ATOM 804 O GLU A 70 -5.702 5.675 16.486 1.00 0.62 O ATOM 805 CB GLU A 70 -8.711 5.099 17.717 1.00 0.55 C ATOM 806 CG GLU A 70 -9.825 5.378 18.703 1.00 0.81 C ATOM 807 CD GLU A 70 -10.321 4.118 19.369 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.362 3.058 18.701 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.669 4.172 20.565 1.00 0.71 O ATOM 0 H GLU A 70 -9.562 7.289 16.852 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.203 6.513 18.324 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.148 4.764 16.776 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -8.101 4.279 18.096 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.470 6.074 19.463 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.652 5.865 18.187 1.00 0.81 H new ATOM 816 N ASP A 71 -7.411 6.048 15.079 1.00 0.47 N ATOM 817 CA ASP A 71 -6.630 5.735 13.892 1.00 0.46 C ATOM 818 C ASP A 71 -6.405 6.977 13.053 1.00 0.43 C ATOM 819 O ASP A 71 -7.339 7.726 12.788 1.00 0.46 O ATOM 820 CB ASP A 71 -7.333 4.663 13.052 1.00 0.51 C ATOM 821 CG ASP A 71 -7.356 3.309 13.730 1.00 0.57 C ATOM 822 OD1 ASP A 71 -8.220 3.087 14.607 1.00 0.61 O ATOM 823 OD2 ASP A 71 -6.502 2.458 13.395 1.00 0.73 O ATOM 0 H ASP A 71 -8.377 6.318 14.893 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.663 5.352 14.218 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.356 4.980 12.849 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.830 4.574 12.089 1.00 0.51 H new ATOM 828 N ASP A 72 -5.162 7.187 12.649 1.00 0.43 N ATOM 829 CA ASP A 72 -4.788 8.332 11.828 1.00 0.42 C ATOM 830 C ASP A 72 -3.655 7.926 10.902 1.00 0.42 C ATOM 831 O ASP A 72 -2.550 7.637 11.360 1.00 0.52 O ATOM 832 CB ASP A 72 -4.350 9.512 12.703 1.00 0.48 C ATOM 833 CG ASP A 72 -4.255 10.823 11.936 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.538 10.881 10.909 1.00 1.05 O ATOM 835 OD2 ASP A 72 -4.899 11.809 12.362 1.00 0.99 O ATOM 0 H ASP A 72 -4.383 6.570 12.880 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.652 8.648 11.244 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.057 9.629 13.524 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.380 9.287 13.147 1.00 0.48 H new ATOM 840 N LEU A 73 -3.932 7.870 9.611 1.00 0.36 N ATOM 841 CA LEU A 73 -2.917 7.483 8.642 1.00 0.38 C ATOM 842 C LEU A 73 -2.845 8.476 7.495 1.00 0.34 C ATOM 843 O LEU A 73 -3.827 9.150 7.180 1.00 0.42 O ATOM 844 CB LEU A 73 -3.204 6.088 8.084 1.00 0.44 C ATOM 845 CG LEU A 73 -2.977 4.927 9.054 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.425 3.623 8.419 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.513 4.843 9.464 1.00 0.92 C ATOM 0 H LEU A 73 -4.845 8.086 9.209 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.959 7.474 9.162 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.240 6.058 7.746 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.577 5.932 7.206 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.570 5.105 9.951 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.259 2.803 9.117 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.486 3.683 8.174 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.852 3.446 7.509 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.376 4.010 10.154 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.896 4.687 8.579 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.218 5.772 9.953 1.00 0.92 H new ATOM 859 N ILE A 74 -1.674 8.568 6.886 1.00 0.29 N ATOM 860 CA ILE A 74 -1.474 9.453 5.755 1.00 0.28 C ATOM 861 C ILE A 74 -1.643 8.651 4.471 1.00 0.30 C ATOM 862 O ILE A 74 -0.990 7.629 4.284 1.00 0.51 O ATOM 863 CB ILE A 74 -0.079 10.111 5.778 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.290 10.545 7.201 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.054 11.307 4.842 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.727 11.002 7.341 1.00 0.59 C ATOM 0 H ILE A 74 -0.846 8.038 7.159 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.212 10.253 5.809 1.00 0.28 H new ATOM 0 HB ILE A 74 0.656 9.380 5.441 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.372 11.355 7.508 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.114 9.713 7.883 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.934 11.766 4.864 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.279 10.980 3.827 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.799 12.035 5.162 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.917 11.294 8.374 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.396 10.187 7.065 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.903 11.854 6.685 1.00 0.59 H new ATOM 878 N ILE A 75 -2.527 9.095 3.600 1.00 0.24 N ATOM 879 CA ILE A 75 -2.793 8.383 2.363 1.00 0.23 C ATOM 880 C ILE A 75 -2.006 8.964 1.190 1.00 0.24 C ATOM 881 O ILE A 75 -1.765 10.170 1.124 1.00 0.26 O ATOM 882 CB ILE A 75 -4.301 8.399 2.042 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.107 7.859 3.231 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.591 7.590 0.789 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.783 6.422 3.588 1.00 0.31 C ATOM 0 H ILE A 75 -3.075 9.946 3.725 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.466 7.353 2.508 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.603 9.430 1.860 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.922 8.490 4.100 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.170 7.936 3.002 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.660 7.614 0.580 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.047 8.017 -0.054 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.274 6.558 0.941 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.392 6.112 4.437 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.996 5.778 2.734 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.728 6.341 3.850 1.00 0.31 H new ATOM 897 N PHE A 76 -1.595 8.086 0.279 1.00 0.27 N ATOM 898 CA PHE A 76 -0.843 8.479 -0.902 1.00 0.31 C ATOM 899 C PHE A 76 -1.411 7.773 -2.134 1.00 0.32 C ATOM 900 O PHE A 76 -1.972 6.681 -2.013 1.00 0.35 O ATOM 901 CB PHE A 76 0.639 8.128 -0.726 1.00 0.34 C ATOM 902 CG PHE A 76 1.218 8.634 0.561 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.719 9.921 0.652 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.249 7.827 1.686 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.241 10.392 1.841 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.771 8.291 2.877 1.00 0.50 C ATOM 907 CZ PHE A 76 2.267 9.576 2.953 1.00 0.58 C ATOM 0 H PHE A 76 -1.775 7.084 0.341 1.00 0.27 H new ATOM 0 HA PHE A 76 -0.931 9.557 -1.038 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.757 7.045 -0.769 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.205 8.543 -1.560 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.702 10.564 -0.216 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.860 6.821 1.631 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.628 11.398 1.900 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.791 7.650 3.746 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.676 9.943 3.883 1.00 0.58 H new ATOM 917 N PRO A 77 -1.284 8.380 -3.328 1.00 0.36 N ATOM 918 CA PRO A 77 -1.801 7.803 -4.578 1.00 0.38 C ATOM 919 C PRO A 77 -0.985 6.611 -5.081 1.00 0.33 C ATOM 920 O PRO A 77 0.049 6.265 -4.507 1.00 0.33 O ATOM 921 CB PRO A 77 -1.705 8.959 -5.584 1.00 0.45 C ATOM 922 CG PRO A 77 -1.341 10.171 -4.797 1.00 0.55 C ATOM 923 CD PRO A 77 -0.644 9.680 -3.564 1.00 0.44 C ATOM 0 HA PRO A 77 -2.809 7.414 -4.435 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.954 8.750 -6.345 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.653 9.103 -6.103 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -0.692 10.829 -5.375 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.229 10.747 -4.538 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.430 9.580 -3.719 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -0.783 10.359 -2.723 1.00 0.44 H new ATOM 931 N ASP A 78 -1.477 5.999 -6.169 1.00 0.40 N ATOM 932 CA ASP A 78 -0.843 4.837 -6.818 1.00 0.46 C ATOM 933 C ASP A 78 -0.585 3.708 -5.823 1.00 0.45 C ATOM 934 O ASP A 78 0.320 2.893 -6.030 1.00 0.60 O ATOM 935 CB ASP A 78 0.486 5.191 -7.537 1.00 0.53 C ATOM 936 CG ASP A 78 0.730 6.674 -7.728 1.00 0.98 C ATOM 937 OD1 ASP A 78 0.132 7.268 -8.652 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.555 7.243 -6.979 1.00 1.36 O ATOM 0 H ASP A 78 -2.336 6.299 -6.630 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.557 4.505 -7.572 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.314 4.771 -6.966 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.494 4.707 -8.514 1.00 0.53 H new ATOM 943 N ASP A 79 -1.390 3.632 -4.767 1.00 0.53 N ATOM 944 CA ASP A 79 -1.202 2.596 -3.755 1.00 0.61 C ATOM 945 C ASP A 79 -2.506 2.211 -3.070 1.00 0.59 C ATOM 946 O ASP A 79 -3.032 1.120 -3.286 1.00 1.11 O ATOM 947 CB ASP A 79 -0.205 3.069 -2.696 1.00 0.80 C ATOM 948 CG ASP A 79 1.091 2.291 -2.738 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.185 1.316 -3.510 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.032 2.670 -2.007 1.00 1.74 O ATOM 0 H ASP A 79 -2.169 4.266 -4.590 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.819 1.716 -4.271 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.005 4.128 -2.845 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.654 2.969 -1.708 1.00 0.80 H new ATOM 955 N CYS A 80 -3.010 3.115 -2.239 1.00 0.50 N ATOM 956 CA CYS A 80 -4.235 2.887 -1.478 1.00 0.46 C ATOM 957 C CYS A 80 -5.433 2.619 -2.383 1.00 0.43 C ATOM 958 O CYS A 80 -5.644 3.308 -3.386 1.00 0.60 O ATOM 959 CB CYS A 80 -4.504 4.091 -0.582 1.00 0.63 C ATOM 960 SG CYS A 80 -2.995 4.852 0.055 1.00 0.90 S ATOM 0 H CYS A 80 -2.583 4.026 -2.073 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.093 1.995 -0.868 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.070 4.835 -1.143 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.129 3.781 0.256 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.376 5.464 -0.911 1.00 0.90 H new ATOM 966 N GLU A 81 -6.209 1.610 -2.018 1.00 0.34 N ATOM 967 CA GLU A 81 -7.384 1.224 -2.777 1.00 0.39 C ATOM 968 C GLU A 81 -8.524 0.837 -1.836 1.00 0.36 C ATOM 969 O GLU A 81 -8.353 -0.003 -0.952 1.00 0.45 O ATOM 970 CB GLU A 81 -7.036 0.054 -3.691 1.00 0.49 C ATOM 971 CG GLU A 81 -8.040 -0.176 -4.807 1.00 0.74 C ATOM 972 CD GLU A 81 -7.592 -1.258 -5.763 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.614 -2.447 -5.377 1.00 1.15 O ATOM 974 OE2 GLU A 81 -7.213 -0.927 -6.906 1.00 1.32 O ATOM 0 H GLU A 81 -6.041 1.039 -1.190 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.711 2.070 -3.382 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.054 0.228 -4.130 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.961 -0.853 -3.091 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.003 -0.450 -4.376 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.189 0.753 -5.357 1.00 0.74 H new ATOM 981 N PHE A 82 -9.678 1.461 -2.027 1.00 0.34 N ATOM 982 CA PHE A 82 -10.846 1.192 -1.201 1.00 0.32 C ATOM 983 C PHE A 82 -11.853 0.351 -1.983 1.00 0.33 C ATOM 984 O PHE A 82 -12.194 0.678 -3.122 1.00 0.42 O ATOM 985 CB PHE A 82 -11.480 2.517 -0.758 1.00 0.35 C ATOM 986 CG PHE A 82 -12.416 2.398 0.413 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.001 1.805 1.594 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.708 2.895 0.336 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.854 1.712 2.675 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.568 2.801 1.413 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.140 2.209 2.584 1.00 0.43 C ATOM 0 H PHE A 82 -9.830 2.162 -2.752 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.543 0.634 -0.315 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.686 3.218 -0.502 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.024 2.945 -1.600 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.998 1.411 1.670 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.046 3.361 -0.577 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.516 1.251 3.592 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.573 3.190 1.339 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.809 2.134 3.428 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.315 -0.738 -1.388 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.278 -1.608 -2.051 1.00 0.38 C ATOM 1003 C LYS A 83 -14.211 -2.263 -1.043 1.00 0.37 C ATOM 1004 O LYS A 83 -14.027 -2.128 0.167 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.553 -2.681 -2.869 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.738 -3.650 -2.028 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.048 -4.703 -2.885 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.754 -4.180 -3.493 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.983 -3.452 -4.769 1.00 1.44 N ATOM 0 H LYS A 83 -12.042 -1.040 -0.453 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.878 -0.993 -2.722 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.288 -3.244 -3.444 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -11.893 -2.193 -3.586 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.990 -3.097 -1.460 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.390 -4.140 -1.305 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -10.834 -5.583 -2.278 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.721 -5.021 -3.681 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.264 -3.516 -2.781 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.075 -5.014 -3.670 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -9.104 -3.441 -5.325 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -10.731 -3.930 -5.312 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -10.275 -2.475 -4.564 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.207 -2.975 -1.550 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.179 -3.657 -0.711 1.00 0.43 C ATOM 1025 C ARG A 84 -16.016 -5.167 -0.842 1.00 0.44 C ATOM 1026 O ARG A 84 -15.645 -5.667 -1.905 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.601 -3.244 -1.112 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.686 -3.778 -0.186 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.075 -3.377 -0.659 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.383 -3.919 -1.982 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.548 -4.478 -2.310 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.521 -4.579 -1.415 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.741 -4.931 -3.540 1.00 0.96 N ATOM 0 H ARG A 84 -15.363 -3.095 -2.551 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.009 -3.374 0.328 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.660 -2.156 -1.134 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.798 -3.594 -2.125 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.618 -4.865 -0.135 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.522 -3.400 0.823 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.817 -3.728 0.058 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.148 -2.290 -0.687 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.660 -3.866 -2.700 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.381 -4.228 -0.468 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.409 -5.008 -1.674 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.999 -4.852 -4.235 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.632 -5.359 -3.792 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.278 -5.885 0.241 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.172 -7.339 0.248 1.00 0.49 C ATOM 1049 C VAL A 85 -17.534 -7.966 -0.040 1.00 0.55 C ATOM 1050 O VAL A 85 -18.441 -7.909 0.792 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.644 -7.866 1.601 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.382 -9.365 1.532 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.383 -7.120 2.012 1.00 0.50 C ATOM 0 H VAL A 85 -16.567 -5.482 1.132 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.462 -7.619 -0.530 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.409 -7.689 2.357 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.011 -9.714 2.496 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.309 -9.886 1.290 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.639 -9.569 0.761 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.027 -7.506 2.967 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.613 -7.262 1.254 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.605 -6.057 2.110 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.697 -8.573 -1.228 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.960 -9.201 -1.630 1.00 0.69 C ATOM 1065 C PRO A 86 -19.146 -10.597 -1.034 1.00 0.68 C ATOM 1066 O PRO A 86 -20.149 -11.266 -1.292 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.830 -9.279 -3.150 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.367 -9.404 -3.408 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.665 -8.686 -2.281 1.00 0.64 C ATOM 0 HA PRO A 86 -19.826 -8.638 -1.282 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.375 -10.134 -3.549 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.240 -8.389 -3.627 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -17.069 -10.452 -3.445 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -17.105 -8.964 -4.370 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.798 -9.246 -1.931 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.306 -7.706 -2.595 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.182 -11.028 -0.233 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.248 -12.343 0.393 1.00 0.70 C ATOM 1079 C GLN A 87 -18.998 -12.282 1.717 1.00 0.70 C ATOM 1080 O GLN A 87 -19.428 -13.308 2.245 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.846 -12.912 0.624 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.138 -13.369 -0.645 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.095 -13.853 -1.717 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -17.447 -13.108 -2.634 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -17.535 -15.095 -1.601 1.00 1.21 N ATOM 0 H GLN A 87 -17.347 -10.489 -0.001 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.788 -13.000 -0.288 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.235 -12.154 1.114 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.918 -13.756 1.310 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.545 -12.544 -1.041 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -15.443 -14.171 -0.398 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -17.218 -15.678 -0.826 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.191 -15.470 -2.286 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.156 -11.080 2.247 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.851 -10.891 3.508 1.00 0.71 C ATOM 1096 C CYS A 88 -21.353 -10.752 3.270 1.00 0.71 C ATOM 1097 O CYS A 88 -21.777 -9.972 2.417 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.310 -9.654 4.222 1.00 0.73 C ATOM 1099 SG CYS A 88 -17.521 -9.686 4.475 1.00 1.44 S ATOM 0 H CYS A 88 -18.811 -10.219 1.822 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.680 -11.764 4.138 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.570 -8.768 3.643 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.803 -9.559 5.189 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.241 -9.209 5.652 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.175 -11.515 4.019 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.644 -11.481 3.891 1.00 0.79 C ATOM 1107 C PRO A 89 -24.222 -10.099 4.188 1.00 0.74 C ATOM 1108 O PRO A 89 -25.336 -9.774 3.773 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.127 -12.493 4.939 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.949 -13.350 5.241 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.737 -12.486 5.039 1.00 0.81 C ATOM 0 HA PRO A 89 -23.963 -11.715 2.875 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.484 -11.988 5.836 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.956 -13.088 4.556 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.993 -13.725 6.263 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.921 -14.219 4.583 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.438 -11.991 5.963 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.881 -13.068 4.698 1.00 0.81 H new ATOM 1119 N SER A 90 -23.462 -9.295 4.915 1.00 0.71 N ATOM 1120 CA SER A 90 -23.881 -7.951 5.264 1.00 0.71 C ATOM 1121 C SER A 90 -23.893 -7.066 4.024 1.00 0.65 C ATOM 1122 O SER A 90 -24.804 -6.260 3.827 1.00 0.72 O ATOM 1123 CB SER A 90 -22.926 -7.379 6.308 1.00 0.75 C ATOM 1124 OG SER A 90 -21.613 -7.876 6.101 1.00 0.85 O ATOM 0 H SER A 90 -22.544 -9.555 5.276 1.00 0.71 H new ATOM 0 HA SER A 90 -24.890 -7.983 5.676 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.923 -6.291 6.250 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.269 -7.644 7.308 1.00 0.75 H new ATOM 0 HG SER A 90 -21.091 -7.773 6.924 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.873 -7.237 3.187 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.761 -6.457 1.972 1.00 0.60 C ATOM 1132 C GLY A 91 -22.377 -5.016 2.246 1.00 0.57 C ATOM 1133 O GLY A 91 -22.410 -4.175 1.349 1.00 0.64 O ATOM 0 H GLY A 91 -22.118 -7.908 3.333 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.016 -6.911 1.319 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.711 -6.482 1.438 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.004 -4.732 3.488 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.629 -3.379 3.880 1.00 0.51 C ATOM 1139 C ARG A 92 -20.224 -3.355 4.458 1.00 0.48 C ATOM 1140 O ARG A 92 -19.834 -2.398 5.132 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.619 -2.829 4.907 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.073 -2.954 4.485 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.978 -2.099 5.348 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.828 -0.677 5.053 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.322 0.291 5.812 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.993 -0.004 6.918 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.159 1.555 5.458 1.00 0.60 N ATOM 0 H ARG A 92 -21.953 -5.419 4.240 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.652 -2.751 2.990 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.478 -3.355 5.851 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.392 -1.779 5.090 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.177 -2.657 3.441 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.384 -3.997 4.552 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.015 -2.395 5.191 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.752 -2.277 6.399 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.313 -0.413 4.213 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.130 -0.978 7.187 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.372 0.744 7.500 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.654 1.784 4.602 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.539 2.301 6.041 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.474 -4.416 4.200 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.110 -4.520 4.688 1.00 0.45 C ATOM 1163 C VAL A 93 -17.138 -3.997 3.640 1.00 0.41 C ATOM 1164 O VAL A 93 -16.996 -4.577 2.562 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.739 -5.973 5.059 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.288 -6.063 5.517 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.674 -6.507 6.134 1.00 0.56 C ATOM 0 H VAL A 93 -19.789 -5.218 3.654 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.040 -3.915 5.592 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.852 -6.590 4.167 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.051 -7.096 5.773 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.632 -5.728 4.714 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.143 -5.430 6.392 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.396 -7.532 6.382 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.597 -5.885 7.025 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.700 -6.488 5.766 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.497 -2.891 3.959 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.536 -2.274 3.068 1.00 0.37 C ATOM 1179 C TYR A 94 -14.136 -2.470 3.622 1.00 0.35 C ATOM 1180 O TYR A 94 -13.967 -2.704 4.818 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.848 -0.784 2.897 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.072 -0.516 2.048 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.352 -0.690 2.562 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.947 -0.089 0.733 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.469 -0.449 1.788 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.063 0.154 -0.045 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.319 -0.030 0.484 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.427 0.209 -0.290 1.00 0.53 O ATOM 0 H TYR A 94 -16.627 -2.396 4.841 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.598 -2.746 2.087 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.993 -0.336 3.880 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.987 -0.290 2.445 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.474 -1.019 3.583 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.963 0.055 0.312 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.456 -0.588 2.203 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.949 0.488 -1.066 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.276 -0.139 -1.194 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.135 -2.389 2.766 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.765 -2.574 3.203 1.00 0.33 C ATOM 1200 C VAL A 95 -10.800 -1.672 2.441 1.00 0.31 C ATOM 1201 O VAL A 95 -10.873 -1.541 1.216 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.330 -4.056 3.062 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.547 -4.560 1.642 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.879 -4.244 3.486 1.00 0.38 C ATOM 0 H VAL A 95 -13.244 -2.198 1.770 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.728 -2.295 4.256 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.956 -4.649 3.729 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.233 -5.602 1.574 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.604 -4.482 1.386 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.960 -3.958 0.949 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.601 -5.292 3.377 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.234 -3.630 2.857 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.763 -3.944 4.527 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.928 -1.021 3.194 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.911 -0.155 2.628 1.00 0.30 C ATOM 1216 C LEU A 96 -7.605 -0.930 2.561 1.00 0.30 C ATOM 1217 O LEU A 96 -6.993 -1.223 3.592 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.735 1.105 3.478 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.763 2.145 2.909 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.335 2.781 1.652 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.448 3.205 3.953 1.00 0.44 C ATOM 0 H LEU A 96 -9.907 -1.079 4.212 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.214 0.159 1.629 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.710 1.575 3.608 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.388 0.810 4.468 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.835 1.640 2.642 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.630 3.516 1.263 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.507 2.011 0.900 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.278 3.273 1.890 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.757 3.935 3.533 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.369 3.707 4.252 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.993 2.734 4.824 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.194 -1.282 1.357 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.977 -2.047 1.169 1.00 0.33 C ATOM 1235 C LYS A 97 -4.889 -1.199 0.527 1.00 0.26 C ATOM 1236 O LYS A 97 -5.173 -0.260 -0.219 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.264 -3.279 0.307 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.064 -4.193 0.119 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.384 -5.348 -0.813 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.128 -6.103 -1.219 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.148 -5.230 -1.922 1.00 0.89 N ATOM 0 H LYS A 97 -7.686 -1.050 0.494 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.620 -2.368 2.148 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.074 -3.848 0.763 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.616 -2.952 -0.671 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.229 -3.620 -0.284 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.747 -4.582 1.086 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.077 -6.031 -0.322 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.886 -4.970 -1.704 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.660 -6.530 -0.332 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.401 -6.936 -1.868 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.417 -5.819 -2.370 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.639 -4.673 -2.650 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.702 -4.587 -1.237 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.644 -1.524 0.840 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.506 -0.818 0.285 1.00 0.30 C ATOM 1257 C PHE A 98 -1.787 -1.716 -0.712 1.00 0.33 C ATOM 1258 O PHE A 98 -1.920 -2.942 -0.663 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.549 -0.389 1.399 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.068 0.750 2.231 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.028 0.538 3.209 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.590 2.035 2.036 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.502 1.586 3.973 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.060 3.086 2.799 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.018 2.862 3.768 1.00 0.77 C ATOM 0 H PHE A 98 -3.398 -2.279 1.481 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.858 0.077 -0.228 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.354 -1.243 2.048 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.596 -0.100 0.957 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.409 -0.459 3.375 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.842 2.217 1.279 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.251 1.407 4.730 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.678 4.083 2.638 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.388 3.683 4.364 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.034 -1.114 -1.621 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.299 -1.875 -2.623 1.00 0.48 C ATOM 1277 C LYS A 99 1.201 -1.763 -2.386 1.00 0.54 C ATOM 1278 O LYS A 99 2.010 -2.165 -3.225 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.667 -1.399 -4.032 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.045 -1.863 -4.477 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.546 -1.088 -5.682 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.983 -1.463 -6.018 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.545 -0.619 -7.106 1.00 1.11 N ATOM 0 H LYS A 99 -0.915 -0.103 -1.686 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.578 -2.925 -2.535 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.629 -0.310 -4.063 1.00 0.54 H new ATOM 0 HB3 LYS A 99 0.078 -1.764 -4.739 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.009 -2.925 -4.719 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.750 -1.747 -3.653 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.484 -0.018 -5.482 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.904 -1.289 -6.540 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.023 -2.511 -6.316 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.601 -1.362 -5.126 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.524 -0.910 -7.301 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.532 0.379 -6.813 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.972 -0.735 -7.966 1.00 1.11 H new ATOM 1297 N ALA A 100 1.565 -1.215 -1.236 1.00 0.55 N ATOM 1298 CA ALA A 100 2.965 -1.058 -0.870 1.00 0.63 C ATOM 1299 C ALA A 100 3.397 -2.206 0.032 1.00 0.62 C ATOM 1300 O ALA A 100 4.387 -2.889 -0.233 1.00 1.36 O ATOM 1301 CB ALA A 100 3.192 0.278 -0.175 1.00 0.89 C ATOM 0 H ALA A 100 0.907 -0.870 -0.537 1.00 0.55 H new ATOM 0 HA ALA A 100 3.568 -1.076 -1.778 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.245 0.376 0.090 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.910 1.090 -0.846 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.584 0.326 0.728 1.00 0.89 H new ATOM 1307 N GLY A 101 2.625 -2.426 1.087 1.00 0.78 N ATOM 1308 CA GLY A 101 2.923 -3.488 2.021 1.00 0.83 C ATOM 1309 C GLY A 101 1.663 -4.173 2.505 1.00 0.73 C ATOM 1310 O GLY A 101 0.558 -3.797 2.106 1.00 1.06 O ATOM 0 H GLY A 101 1.792 -1.882 1.312 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.576 -4.220 1.545 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.468 -3.082 2.873 1.00 0.83 H new ATOM 1314 N SER A 102 1.826 -5.162 3.370 1.00 0.51 N ATOM 1315 CA SER A 102 0.704 -5.910 3.916 1.00 0.48 C ATOM 1316 C SER A 102 -0.091 -5.059 4.906 1.00 0.52 C ATOM 1317 O SER A 102 0.262 -4.962 6.085 1.00 1.13 O ATOM 1318 CB SER A 102 1.242 -7.163 4.598 1.00 0.60 C ATOM 1319 OG SER A 102 2.656 -7.236 4.457 1.00 1.00 O ATOM 0 H SER A 102 2.737 -5.468 3.713 1.00 0.51 H new ATOM 0 HA SER A 102 0.027 -6.189 3.109 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.976 -7.152 5.655 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.780 -8.049 4.162 1.00 0.60 H new ATOM 0 HG SER A 102 2.988 -8.044 4.901 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.160 -4.435 4.420 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.995 -3.588 5.256 1.00 0.42 C ATOM 1327 C LYS A 103 -3.427 -3.549 4.723 1.00 0.39 C ATOM 1328 O LYS A 103 -3.672 -3.080 3.610 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.418 -2.171 5.310 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.860 -1.384 6.535 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.247 0.005 6.554 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.513 0.713 7.871 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.714 0.140 8.983 1.00 1.17 N ATOM 0 H LYS A 103 -1.466 -4.502 3.449 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.011 -4.006 6.263 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.330 -2.229 5.298 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.718 -1.630 4.412 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.947 -1.303 6.544 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.572 -1.922 7.438 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.172 -0.068 6.390 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.655 0.595 5.734 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.280 1.773 7.766 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.573 0.642 8.113 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.794 0.752 9.820 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.070 -0.809 9.213 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 0.284 0.075 8.696 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.364 -4.059 5.519 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.773 -4.083 5.144 1.00 0.38 C ATOM 1349 C ARG A 104 -6.632 -3.600 6.306 1.00 0.37 C ATOM 1350 O ARG A 104 -6.632 -4.207 7.376 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.212 -5.500 4.755 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.327 -6.165 3.716 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.760 -7.602 3.462 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.743 -8.365 2.739 1.00 1.11 N ATOM 1355 CZ ARG A 104 -5.019 -9.317 1.851 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -6.280 -9.631 1.572 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.030 -9.957 1.238 1.00 1.70 N ATOM 0 H ARG A 104 -4.169 -4.464 6.435 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.903 -3.422 4.287 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -6.230 -6.121 5.651 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.232 -5.460 4.374 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.368 -5.600 2.785 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.291 -6.149 4.053 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.970 -8.090 4.414 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.688 -7.605 2.891 1.00 0.86 H new ATOM 0 HE ARG A 104 -3.763 -8.155 2.927 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -7.043 -9.141 2.039 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -6.485 -10.362 0.890 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -3.061 -9.719 1.448 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -4.240 -10.687 0.557 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.354 -2.511 6.100 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.222 -1.967 7.139 1.00 0.34 C ATOM 1373 C LEU A 105 -9.685 -2.227 6.792 1.00 0.33 C ATOM 1374 O LEU A 105 -10.198 -1.691 5.810 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.989 -0.464 7.310 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.530 -0.038 7.467 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.430 1.472 7.590 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -5.890 -0.714 8.671 1.00 0.82 C ATOM 0 H LEU A 105 -7.359 -1.985 5.226 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.982 -2.465 8.078 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.409 0.052 6.446 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.544 -0.125 8.185 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.987 -0.353 6.576 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.385 1.760 7.701 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.841 1.938 6.695 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.992 1.804 8.463 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -4.852 -0.393 8.759 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.433 -0.438 9.575 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -5.926 -1.796 8.542 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.348 -3.052 7.590 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.747 -3.395 7.351 1.00 0.34 C ATOM 1392 C PHE A 106 -12.682 -2.452 8.105 1.00 0.35 C ATOM 1393 O PHE A 106 -12.462 -2.148 9.279 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.028 -4.842 7.772 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.092 -5.852 7.167 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -9.909 -6.191 7.807 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.397 -6.465 5.962 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.048 -7.119 7.256 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -10.539 -7.393 5.406 1.00 0.50 C ATOM 1400 CZ PHE A 106 -9.362 -7.721 6.055 1.00 0.52 C ATOM 0 H PHE A 106 -9.940 -3.498 8.411 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.933 -3.290 6.282 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.967 -4.911 8.858 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.050 -5.098 7.493 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.658 -5.723 8.748 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.316 -6.214 5.452 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.130 -7.373 7.765 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -10.786 -7.862 4.465 1.00 0.50 H new ATOM 0 HZ PHE A 106 -8.690 -8.447 5.622 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.722 -1.995 7.419 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.707 -1.086 7.998 1.00 0.37 C ATOM 1412 C PHE A 107 -16.120 -1.518 7.609 1.00 0.39 C ATOM 1413 O PHE A 107 -16.352 -1.966 6.486 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.476 0.349 7.508 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.138 0.923 7.869 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.903 1.419 9.140 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.115 0.974 6.933 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.674 1.954 9.472 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.884 1.508 7.261 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.663 1.999 8.534 1.00 0.46 C ATOM 0 H PHE A 107 -13.908 -2.243 6.447 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.596 -1.120 9.082 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.586 0.371 6.424 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.255 0.990 7.920 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.689 1.387 9.880 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.283 0.592 5.937 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.504 2.338 10.467 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.095 1.542 6.524 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.702 2.417 8.794 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.062 -1.391 8.530 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.442 -1.747 8.243 1.00 0.43 C ATOM 1432 C TRP A 108 -19.333 -0.523 8.430 1.00 0.45 C ATOM 1433 O TRP A 108 -19.296 0.137 9.471 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.913 -2.941 9.094 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.976 -2.695 10.572 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.929 -2.670 11.451 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.160 -2.473 11.352 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.392 -2.441 12.728 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.755 -2.315 12.690 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.523 -2.394 11.046 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.664 -2.081 13.720 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.422 -2.158 12.069 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.989 -2.008 13.390 1.00 0.74 C ATOM 0 H TRP A 108 -16.898 -1.047 9.476 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.513 -2.071 7.205 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.903 -3.241 8.751 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.244 -3.782 8.911 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.892 -2.809 11.184 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.814 -2.376 13.566 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.866 -2.515 10.029 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.334 -1.962 14.741 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.476 -2.088 11.844 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.718 -1.830 14.167 1.00 0.74 H new ATOM 1454 N MET A 109 -20.105 -0.212 7.397 1.00 0.46 N ATOM 1455 CA MET A 109 -20.994 0.949 7.401 1.00 0.48 C ATOM 1456 C MET A 109 -22.031 0.879 8.517 1.00 0.50 C ATOM 1457 O MET A 109 -22.718 -0.131 8.685 1.00 0.51 O ATOM 1458 CB MET A 109 -21.706 1.075 6.051 1.00 0.50 C ATOM 1459 CG MET A 109 -20.770 1.353 4.886 1.00 0.50 C ATOM 1460 SD MET A 109 -20.022 2.992 4.965 1.00 0.58 S ATOM 1461 CE MET A 109 -19.098 3.012 3.432 1.00 0.60 C ATOM 0 H MET A 109 -20.135 -0.754 6.533 1.00 0.46 H new ATOM 0 HA MET A 109 -20.372 1.827 7.578 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.254 0.154 5.853 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.442 1.877 6.113 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.982 0.600 4.871 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.322 1.255 3.951 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.577 3.964 3.333 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.371 2.200 3.435 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.782 2.884 2.593 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.130 1.968 9.275 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.090 2.071 10.364 1.00 0.53 C ATOM 1473 C GLN A 110 -24.201 3.038 9.971 1.00 0.56 C ATOM 1474 O GLN A 110 -25.045 3.416 10.787 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.406 2.548 11.648 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.444 1.529 12.238 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.697 2.053 13.453 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.479 3.257 13.595 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.293 1.150 14.337 1.00 0.53 N ATOM 0 H GLN A 110 -21.550 2.798 9.151 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.515 1.085 10.553 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.863 3.470 11.440 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.169 2.787 12.389 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.999 0.633 12.518 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.724 1.233 11.475 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.493 0.162 14.184 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.783 1.444 15.170 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.178 3.441 8.706 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.176 4.354 8.162 1.00 0.60 C ATOM 1490 C GLU A 111 -26.543 3.676 8.104 1.00 0.63 C ATOM 1491 O GLU A 111 -26.635 2.490 7.780 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.760 4.808 6.761 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.655 5.849 6.757 1.00 0.62 C ATOM 1494 CD GLU A 111 -24.114 7.189 7.289 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -25.267 7.589 7.001 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.325 7.857 7.990 1.00 0.67 O ATOM 0 H GLU A 111 -23.471 3.146 8.032 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.245 5.224 8.815 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.430 3.940 6.191 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.631 5.215 6.247 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.821 5.490 7.360 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.283 5.974 5.740 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.618 4.414 8.426 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.981 3.873 8.411 1.00 0.71 C ATOM 1505 C PRO A 112 -29.424 3.432 7.016 1.00 0.71 C ATOM 1506 O PRO A 112 -30.063 2.391 6.857 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.841 5.041 8.905 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.013 6.263 8.708 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.585 5.827 8.843 1.00 0.71 C ATOM 0 HA PRO A 112 -29.064 2.978 9.027 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.773 5.105 8.344 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.108 4.914 9.954 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.195 6.702 7.727 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.259 7.024 9.449 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.923 6.417 8.209 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.227 5.935 9.867 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.081 4.222 6.006 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.453 3.900 4.637 1.00 0.75 C ATOM 1519 C LYS A 113 -28.243 3.416 3.848 1.00 0.69 C ATOM 1520 O LYS A 113 -27.154 3.983 3.949 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.079 5.115 3.940 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.600 5.129 3.970 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.128 5.583 5.322 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.646 5.619 5.347 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.158 6.449 6.469 1.00 1.51 N ATOM 0 H LYS A 113 -28.548 5.086 6.110 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.192 3.099 4.673 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.708 6.024 4.414 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.746 5.137 2.902 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.974 5.793 3.191 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.978 4.131 3.747 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.767 4.909 6.099 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.736 6.574 5.552 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.016 6.016 4.402 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.033 4.604 5.439 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.198 6.450 6.454 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.825 6.055 7.372 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.809 7.424 6.367 1.00 1.51 H new ATOM 1539 N THR A 114 -28.451 2.368 3.061 1.00 0.69 N ATOM 1540 CA THR A 114 -27.400 1.786 2.234 1.00 0.66 C ATOM 1541 C THR A 114 -27.230 2.571 0.938 1.00 0.67 C ATOM 1542 O THR A 114 -26.309 2.327 0.157 1.00 0.69 O ATOM 1543 CB THR A 114 -27.741 0.327 1.887 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.163 0.176 1.765 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.225 -0.623 2.948 1.00 0.86 C ATOM 0 H THR A 114 -29.352 1.897 2.978 1.00 0.69 H new ATOM 0 HA THR A 114 -26.471 1.825 2.803 1.00 0.66 H new ATOM 0 HB THR A 114 -27.259 0.084 0.940 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.375 -0.754 1.542 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.481 -1.647 2.675 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.142 -0.528 3.026 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.680 -0.379 3.908 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.130 3.523 0.728 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.130 4.361 -0.465 1.00 0.72 C ATOM 1555 C ASP A 115 -26.869 5.207 -0.569 1.00 0.68 C ATOM 1556 O ASP A 115 -26.553 5.721 -1.638 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.349 5.287 -0.458 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.661 4.535 -0.358 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -30.938 3.949 0.711 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.428 4.537 -1.344 1.00 1.19 O ATOM 0 H ASP A 115 -28.883 3.737 1.382 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.167 3.693 -1.325 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.268 5.979 0.380 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.348 5.887 -1.368 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.155 5.363 0.538 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.943 6.174 0.546 1.00 0.64 C ATOM 1567 C GLN A 116 -23.686 5.323 0.728 1.00 0.60 C ATOM 1568 O GLN A 116 -22.592 5.860 0.884 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.010 7.214 1.666 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.245 8.103 1.623 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.356 8.901 0.338 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.974 8.460 -0.630 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.772 10.086 0.322 1.00 0.92 N ATOM 0 H GLN A 116 -26.391 4.942 1.437 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.883 6.670 -0.423 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -24.981 6.699 2.626 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.122 7.844 1.615 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.135 7.485 1.738 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.222 8.789 2.470 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.268 10.418 1.145 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.825 10.669 -0.513 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.837 4.005 0.693 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.700 3.099 0.883 1.00 0.58 C ATOM 1584 C ASP A 117 -21.674 3.246 -0.240 1.00 0.55 C ATOM 1585 O ASP A 117 -20.540 3.673 0.000 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.173 1.647 0.999 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.576 1.277 2.420 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.839 2.193 3.233 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.643 0.066 2.730 1.00 0.64 O ATOM 0 H ASP A 117 -24.729 3.537 0.536 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.211 3.376 1.817 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.021 1.490 0.332 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.377 0.981 0.665 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.073 2.915 -1.465 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.177 3.027 -2.616 1.00 0.56 C ATOM 1596 C GLU A 118 -20.810 4.485 -2.858 1.00 0.55 C ATOM 1597 O GLU A 118 -19.696 4.800 -3.286 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.819 2.437 -3.872 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.853 0.921 -3.876 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.468 0.310 -3.902 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.843 0.296 -4.985 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -19.997 -0.164 -2.848 1.00 0.70 O ATOM 0 H GLU A 118 -23.006 2.568 -1.688 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.272 2.461 -2.395 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.837 2.816 -3.963 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.271 2.783 -4.748 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.385 0.570 -2.991 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.415 0.576 -4.744 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.759 5.366 -2.567 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.566 6.801 -2.723 1.00 0.59 C ATOM 1611 C GLU A 119 -20.368 7.268 -1.904 1.00 0.56 C ATOM 1612 O GLU A 119 -19.492 7.973 -2.407 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.836 7.541 -2.286 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.746 9.053 -2.405 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.356 9.508 -3.796 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.840 8.914 -4.784 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.565 10.465 -3.911 1.00 1.25 O ATOM 0 H GLU A 119 -22.681 5.106 -2.217 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.369 7.023 -3.772 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.674 7.189 -2.888 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.057 7.281 -1.251 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.708 9.492 -2.140 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -22.016 9.427 -1.687 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.323 6.846 -0.647 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.231 7.213 0.241 1.00 0.54 C ATOM 1626 C HIS A 120 -17.932 6.574 -0.231 1.00 0.51 C ATOM 1627 O HIS A 120 -16.871 7.197 -0.184 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.531 6.786 1.682 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.460 7.718 2.403 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.552 7.286 3.130 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.449 9.068 2.514 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.173 8.330 3.652 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.522 9.419 3.297 1.00 0.74 N ATOM 0 H HIS A 120 -21.031 6.249 -0.220 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.124 8.298 0.218 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.967 5.787 1.673 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.594 6.720 2.235 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.731 9.742 2.070 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.062 8.296 4.265 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.774 10.371 3.561 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.033 5.335 -0.703 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.875 4.598 -1.195 1.00 0.48 C ATOM 1644 C CYS A 121 -16.210 5.329 -2.364 1.00 0.48 C ATOM 1645 O CYS A 121 -14.981 5.394 -2.447 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.294 3.188 -1.625 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.954 2.199 -2.329 1.00 0.48 S ATOM 0 H CYS A 121 -18.911 4.818 -0.755 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.149 4.526 -0.385 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.703 2.663 -0.761 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.096 3.267 -2.359 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.991 2.093 -1.462 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.027 5.890 -3.251 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.521 6.612 -4.413 1.00 0.54 C ATOM 1655 C ARG A 122 -15.720 7.835 -3.986 1.00 0.53 C ATOM 1656 O ARG A 122 -14.595 8.045 -4.451 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.671 7.041 -5.327 1.00 0.59 C ATOM 1658 CG ARG A 122 -18.106 5.964 -6.306 1.00 0.85 C ATOM 1659 CD ARG A 122 -19.119 6.497 -7.303 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.374 6.869 -6.656 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.421 6.055 -6.535 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.360 4.821 -7.016 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.527 6.476 -5.939 1.00 1.52 N ATOM 0 H ARG A 122 -18.044 5.858 -3.186 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.865 5.938 -4.963 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.525 7.327 -4.713 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -17.369 7.927 -5.885 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.235 5.582 -6.839 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -18.538 5.126 -5.759 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.703 7.365 -7.815 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -19.313 5.741 -8.064 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.454 7.811 -6.273 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.511 4.495 -7.479 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.162 4.197 -6.923 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.578 7.426 -5.571 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.327 5.850 -5.848 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.300 8.623 -3.085 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.658 9.832 -2.588 1.00 0.53 C ATOM 1679 C LYS A 123 -14.313 9.504 -1.949 1.00 0.51 C ATOM 1680 O LYS A 123 -13.315 10.187 -2.191 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.559 10.543 -1.574 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.919 10.931 -2.125 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.704 11.760 -1.122 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.081 12.122 -1.648 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.748 13.152 -0.808 1.00 1.12 N ATOM 0 H LYS A 123 -17.220 8.442 -2.683 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.490 10.497 -3.435 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.700 9.894 -0.710 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.052 11.440 -1.219 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.792 11.497 -3.048 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.482 10.032 -2.377 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.805 11.204 -0.190 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.152 12.671 -0.891 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.993 12.490 -2.670 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.702 11.227 -1.684 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.685 13.369 -1.204 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.856 12.792 0.162 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.170 14.016 -0.794 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.290 8.444 -1.148 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.072 8.018 -0.476 1.00 0.46 C ATOM 1701 C VAL A 124 -11.979 7.692 -1.490 1.00 0.45 C ATOM 1702 O VAL A 124 -10.882 8.241 -1.425 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.322 6.789 0.429 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.017 6.259 1.006 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.292 7.136 1.548 1.00 0.50 C ATOM 0 H VAL A 124 -15.105 7.864 -0.949 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.744 8.847 0.151 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.765 6.006 -0.186 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.223 5.395 1.638 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.353 5.964 0.193 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.539 7.038 1.600 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.455 6.258 2.174 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.876 7.941 2.154 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.241 7.458 1.120 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.301 6.827 -2.446 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.343 6.418 -3.474 1.00 0.48 C ATOM 1717 C ASN A 125 -10.814 7.614 -4.255 1.00 0.49 C ATOM 1718 O ASN A 125 -9.626 7.668 -4.595 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.985 5.425 -4.440 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.607 3.992 -4.134 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.494 3.706 -3.689 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.535 3.081 -4.370 1.00 0.77 N ATOM 0 H ASN A 125 -13.220 6.393 -2.533 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.506 5.941 -2.964 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.069 5.529 -4.395 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.683 5.667 -5.459 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.343 2.097 -4.183 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.443 3.362 -4.739 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.694 8.572 -4.531 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.321 9.764 -5.277 1.00 0.56 C ATOM 1731 C GLU A 126 -10.320 10.621 -4.508 1.00 0.55 C ATOM 1732 O GLU A 126 -9.213 10.852 -4.977 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.556 10.601 -5.617 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.439 9.978 -6.683 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.521 10.920 -7.170 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -14.661 12.026 -6.602 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.231 10.560 -8.135 1.00 1.27 O ATOM 0 H GLU A 126 -12.673 8.543 -4.247 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.848 9.428 -6.200 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.144 10.750 -4.711 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.235 11.587 -5.954 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.821 9.673 -7.528 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.902 9.075 -6.284 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.697 11.049 -3.311 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.845 11.919 -2.502 1.00 0.55 C ATOM 1746 C TYR A 127 -8.556 11.237 -2.041 1.00 0.52 C ATOM 1747 O TYR A 127 -7.573 11.916 -1.743 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.620 12.435 -1.288 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.624 13.511 -1.636 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -12.861 13.181 -2.174 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -11.334 14.853 -1.434 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -13.778 14.156 -2.502 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.250 15.835 -1.763 1.00 0.79 C ATOM 1754 CZ TYR A 127 -13.469 15.480 -2.296 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.386 16.453 -2.629 1.00 0.84 O ATOM 0 H TYR A 127 -11.588 10.809 -2.876 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.553 12.751 -3.143 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.140 11.601 -0.815 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.915 12.828 -0.555 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -13.109 12.143 -2.338 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -10.380 15.134 -1.014 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -14.736 13.881 -2.919 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.010 16.876 -1.603 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.016 17.336 -2.421 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.549 9.910 -1.978 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.361 9.184 -1.534 1.00 0.49 C ATOM 1767 C LEU A 128 -6.305 9.082 -2.632 1.00 0.53 C ATOM 1768 O LEU A 128 -5.108 9.052 -2.346 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.728 7.778 -1.048 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.525 7.710 0.258 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.369 6.347 0.899 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.094 8.801 1.225 1.00 0.44 C ATOM 0 H LEU A 128 -9.343 9.319 -2.225 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.938 9.755 -0.707 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.305 7.283 -1.829 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.808 7.207 -0.920 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.576 7.870 0.018 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.941 6.313 1.826 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.737 5.580 0.218 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.316 6.165 1.115 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.678 8.726 2.142 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.036 8.683 1.458 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.259 9.777 0.769 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.738 9.030 -3.884 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.794 8.906 -4.993 1.00 0.59 C ATOM 1786 C ASN A 129 -5.673 10.194 -5.798 1.00 0.65 C ATOM 1787 O ASN A 129 -4.687 10.398 -6.504 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.196 7.750 -5.914 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.811 6.396 -5.351 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.671 5.946 -5.493 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.763 5.731 -4.710 1.00 0.89 N ATOM 0 H ASN A 129 -7.720 9.071 -4.158 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.817 8.699 -4.556 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.273 7.778 -6.078 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -5.722 7.883 -6.886 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.565 4.813 -4.313 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.693 6.138 -4.614 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.670 11.058 -5.697 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.666 12.321 -6.424 1.00 0.74 C ATOM 1800 C ASN A 130 -6.984 13.474 -5.487 1.00 0.80 C ATOM 1801 O ASN A 130 -8.177 13.743 -5.243 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.673 12.289 -7.578 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.120 11.606 -8.811 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -6.424 12.222 -9.619 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -7.440 10.333 -8.979 1.00 1.09 N ATOM 0 H ASN A 130 -7.496 10.909 -5.117 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.669 12.469 -6.839 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.576 11.771 -7.254 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.964 13.309 -7.831 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.108 9.828 -9.800 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.019 9.857 -8.287 1.00 1.09 H new ATOM 1813 N ALA B 26 37.559 -7.383 6.518 1.00 1.24 N ATOM 1814 CA ALA B 26 36.754 -6.776 7.599 1.00 1.15 C ATOM 1815 C ALA B 26 35.274 -7.054 7.385 1.00 1.06 C ATOM 1816 O ALA B 26 34.701 -6.647 6.373 1.00 1.08 O ATOM 1817 CB ALA B 26 37.001 -5.278 7.670 1.00 1.27 C ATOM 0 HA ALA B 26 37.059 -7.225 8.544 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.400 -4.848 8.471 1.00 1.27 H new ATOM 0 HB2 ALA B 26 38.057 -5.092 7.868 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.724 -4.818 6.722 1.00 1.27 H new ATOM 1825 N PRO B 27 34.635 -7.767 8.327 1.00 1.03 N ATOM 1826 CA PRO B 27 33.210 -8.086 8.237 1.00 0.98 C ATOM 1827 C PRO B 27 32.341 -6.838 8.372 1.00 0.96 C ATOM 1828 O PRO B 27 32.362 -6.152 9.399 1.00 1.05 O ATOM 1829 CB PRO B 27 32.977 -9.048 9.408 1.00 1.03 C ATOM 1830 CG PRO B 27 34.093 -8.799 10.363 1.00 1.15 C ATOM 1831 CD PRO B 27 35.259 -8.329 9.541 1.00 1.12 C ATOM 0 HA PRO B 27 32.943 -8.517 7.272 1.00 0.98 H new ATOM 0 HB2 PRO B 27 32.011 -8.865 9.879 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.976 -10.084 9.069 1.00 1.03 H new ATOM 0 HG2 PRO B 27 33.811 -8.049 11.102 1.00 1.15 H new ATOM 0 HG3 PRO B 27 34.345 -9.707 10.911 1.00 1.15 H new ATOM 0 HD2 PRO B 27 35.846 -7.579 10.072 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.934 -9.150 9.300 1.00 1.12 H new ATOM 1839 N ALA B 28 31.586 -6.539 7.326 1.00 0.95 N ATOM 1840 CA ALA B 28 30.723 -5.369 7.316 1.00 0.96 C ATOM 1841 C ALA B 28 29.283 -5.750 6.998 1.00 0.90 C ATOM 1842 O ALA B 28 28.500 -4.910 6.555 1.00 0.88 O ATOM 1843 CB ALA B 28 31.237 -4.349 6.310 1.00 1.04 C ATOM 0 H ALA B 28 31.554 -7.093 6.470 1.00 0.95 H new ATOM 0 HA ALA B 28 30.739 -4.925 8.311 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.584 -3.477 6.310 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.248 -4.046 6.583 1.00 1.04 H new ATOM 0 HB3 ALA B 28 31.248 -4.793 5.315 1.00 1.04 H new ATOM 1849 N GLU B 29 28.953 -7.023 7.232 1.00 0.93 N ATOM 1850 CA GLU B 29 27.609 -7.554 6.990 1.00 0.90 C ATOM 1851 C GLU B 29 27.204 -7.413 5.525 1.00 0.85 C ATOM 1852 O GLU B 29 26.654 -6.393 5.114 1.00 0.82 O ATOM 1853 CB GLU B 29 26.572 -6.870 7.892 1.00 0.91 C ATOM 1854 CG GLU B 29 26.788 -7.134 9.371 1.00 1.14 C ATOM 1855 CD GLU B 29 25.597 -6.736 10.216 1.00 1.10 C ATOM 1856 OE1 GLU B 29 25.538 -5.568 10.659 1.00 1.30 O ATOM 1857 OE2 GLU B 29 24.718 -7.597 10.457 1.00 1.29 O ATOM 0 H GLU B 29 29.610 -7.714 7.594 1.00 0.93 H new ATOM 0 HA GLU B 29 27.637 -8.616 7.234 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.601 -5.795 7.715 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.576 -7.213 7.612 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.996 -8.194 9.520 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.667 -6.586 9.709 1.00 1.14 H new ATOM 1864 N PRO B 30 27.455 -8.457 4.718 1.00 0.88 N ATOM 1865 CA PRO B 30 27.117 -8.447 3.292 1.00 0.88 C ATOM 1866 C PRO B 30 25.632 -8.701 3.033 1.00 0.82 C ATOM 1867 O PRO B 30 25.231 -8.995 1.909 1.00 0.85 O ATOM 1868 CB PRO B 30 27.959 -9.594 2.734 1.00 1.00 C ATOM 1869 CG PRO B 30 28.112 -10.550 3.865 1.00 1.07 C ATOM 1870 CD PRO B 30 28.094 -9.727 5.129 1.00 0.98 C ATOM 0 HA PRO B 30 27.316 -7.479 2.832 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.468 -10.066 1.883 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.928 -9.238 2.385 1.00 1.00 H new ATOM 0 HG2 PRO B 30 27.303 -11.281 3.867 1.00 1.07 H new ATOM 0 HG3 PRO B 30 29.045 -11.107 3.778 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.529 -10.221 5.919 1.00 0.98 H new ATOM 0 HD3 PRO B 30 29.101 -9.562 5.513 1.00 0.98 H new ATOM 1878 N LYS B 31 24.824 -8.579 4.084 1.00 0.78 N ATOM 1879 CA LYS B 31 23.388 -8.792 3.986 1.00 0.74 C ATOM 1880 C LYS B 31 22.716 -7.640 3.254 1.00 0.69 C ATOM 1881 O LYS B 31 22.578 -6.542 3.793 1.00 0.73 O ATOM 1882 CB LYS B 31 22.767 -8.946 5.374 1.00 0.76 C ATOM 1883 CG LYS B 31 23.104 -10.258 6.061 1.00 0.92 C ATOM 1884 CD LYS B 31 21.895 -10.826 6.790 1.00 1.11 C ATOM 1885 CE LYS B 31 20.884 -11.413 5.815 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.499 -10.948 6.095 1.00 1.45 N ATOM 0 H LYS B 31 25.146 -8.331 5.020 1.00 0.78 H new ATOM 0 HA LYS B 31 23.229 -9.710 3.421 1.00 0.74 H new ATOM 0 HB2 LYS B 31 23.102 -8.122 6.004 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.684 -8.861 5.287 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.457 -10.978 5.322 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.918 -10.102 6.769 1.00 0.92 H new ATOM 0 HD2 LYS B 31 22.219 -11.597 7.489 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.421 -10.041 7.379 1.00 1.11 H new ATOM 0 HE2 LYS B 31 21.160 -11.136 4.797 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.918 -12.501 5.870 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.873 -11.232 5.314 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 19.162 -11.375 6.982 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.492 -9.912 6.185 1.00 1.45 H new ATOM 1900 N ILE B 32 22.313 -7.899 2.021 1.00 0.68 N ATOM 1901 CA ILE B 32 21.647 -6.898 1.204 1.00 0.66 C ATOM 1902 C ILE B 32 20.140 -7.155 1.192 1.00 0.62 C ATOM 1903 O ILE B 32 19.700 -8.307 1.167 1.00 0.67 O ATOM 1904 CB ILE B 32 22.221 -6.884 -0.242 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.256 -5.761 -0.393 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.125 -6.731 -1.291 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.531 -5.992 0.388 1.00 1.20 C ATOM 0 H ILE B 32 22.437 -8.801 1.561 1.00 0.68 H new ATOM 0 HA ILE B 32 21.831 -5.916 1.639 1.00 0.66 H new ATOM 0 HB ILE B 32 22.704 -7.847 -0.409 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.504 -5.648 -1.448 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.808 -4.822 -0.069 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.571 -6.726 -2.285 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.426 -7.564 -1.211 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.593 -5.794 -1.128 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.211 -5.155 0.230 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.298 -6.074 1.450 1.00 1.20 H new ATOM 0 HD13 ILE B 32 25.004 -6.913 0.048 1.00 1.20 H new ATOM 1919 N ILE B 33 19.360 -6.085 1.240 1.00 0.58 N ATOM 1920 CA ILE B 33 17.910 -6.191 1.234 1.00 0.56 C ATOM 1921 C ILE B 33 17.335 -5.678 -0.082 1.00 0.54 C ATOM 1922 O ILE B 33 17.939 -4.835 -0.749 1.00 0.60 O ATOM 1923 CB ILE B 33 17.271 -5.409 2.403 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.857 -3.995 2.490 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.474 -6.156 3.714 1.00 0.67 C ATOM 1926 CD1 ILE B 33 17.125 -3.091 3.457 1.00 0.67 C ATOM 0 H ILE B 33 19.711 -5.128 1.284 1.00 0.58 H new ATOM 0 HA ILE B 33 17.671 -7.248 1.352 1.00 0.56 H new ATOM 0 HB ILE B 33 16.200 -5.323 2.217 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.903 -4.063 2.790 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.839 -3.542 1.499 1.00 0.59 H new ATOM 0 HG21 ILE B 33 17.018 -5.592 4.528 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.008 -7.139 3.648 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.541 -6.272 3.905 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.597 -2.108 3.464 1.00 0.67 H new ATOM 0 HD12 ILE B 33 16.085 -2.992 3.146 1.00 0.67 H new ATOM 0 HD13 ILE B 33 17.165 -3.520 4.458 1.00 0.67 H new ATOM 1938 N LYS B 34 16.167 -6.188 -0.447 1.00 0.53 N ATOM 1939 CA LYS B 34 15.506 -5.786 -1.679 1.00 0.53 C ATOM 1940 C LYS B 34 14.468 -4.712 -1.391 1.00 0.48 C ATOM 1941 O LYS B 34 13.466 -4.964 -0.725 1.00 0.57 O ATOM 1942 CB LYS B 34 14.840 -6.991 -2.347 1.00 0.58 C ATOM 1943 CG LYS B 34 15.732 -7.716 -3.342 1.00 0.76 C ATOM 1944 CD LYS B 34 15.032 -8.933 -3.927 1.00 0.87 C ATOM 1945 CE LYS B 34 15.738 -9.455 -5.170 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.124 -9.913 -4.883 1.00 1.31 N ATOM 0 H LYS B 34 15.656 -6.884 0.096 1.00 0.53 H new ATOM 0 HA LYS B 34 16.257 -5.381 -2.358 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.527 -7.694 -1.575 1.00 0.58 H new ATOM 0 HB3 LYS B 34 13.938 -6.657 -2.859 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.013 -7.035 -4.145 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.654 -8.026 -2.849 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.989 -9.722 -3.176 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.003 -8.674 -4.176 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.165 -10.281 -5.591 1.00 1.07 H new ATOM 0 HE3 LYS B 34 15.767 -8.670 -5.925 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.546 -10.306 -5.748 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.695 -9.108 -4.555 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.102 -10.645 -4.145 1.00 1.31 H new ATOM 1960 N VAL B 35 14.724 -3.515 -1.877 1.00 0.44 N ATOM 1961 CA VAL B 35 13.812 -2.408 -1.670 1.00 0.41 C ATOM 1962 C VAL B 35 13.228 -1.939 -3.005 1.00 0.42 C ATOM 1963 O VAL B 35 13.916 -1.326 -3.825 1.00 0.45 O ATOM 1964 CB VAL B 35 14.508 -1.237 -0.925 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.872 -0.938 -1.526 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.635 0.010 -0.922 1.00 0.40 C ATOM 0 H VAL B 35 15.557 -3.283 -2.419 1.00 0.44 H new ATOM 0 HA VAL B 35 12.993 -2.757 -1.041 1.00 0.41 H new ATOM 0 HB VAL B 35 14.656 -1.547 0.110 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.336 -0.114 -0.984 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.504 -1.823 -1.451 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.755 -0.663 -2.574 1.00 0.42 H new ATOM 0 HG21 VAL B 35 14.149 0.813 -0.393 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.439 0.319 -1.949 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.691 -0.208 -0.422 1.00 0.40 H new ATOM 1976 N THR B 36 11.967 -2.271 -3.229 1.00 0.41 N ATOM 1977 CA THR B 36 11.280 -1.891 -4.447 1.00 0.43 C ATOM 1978 C THR B 36 10.656 -0.510 -4.291 1.00 0.39 C ATOM 1979 O THR B 36 9.727 -0.323 -3.507 1.00 0.40 O ATOM 1980 CB THR B 36 10.189 -2.916 -4.798 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.330 -4.086 -3.976 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.266 -3.306 -6.266 1.00 0.57 C ATOM 0 H THR B 36 11.397 -2.808 -2.575 1.00 0.41 H new ATOM 0 HA THR B 36 12.010 -1.866 -5.256 1.00 0.43 H new ATOM 0 HB THR B 36 9.217 -2.459 -4.611 1.00 0.48 H new ATOM 0 HG1 THR B 36 11.052 -4.647 -4.327 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.485 -4.032 -6.491 1.00 0.57 H new ATOM 0 HG22 THR B 36 10.128 -2.420 -6.886 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.241 -3.746 -6.475 1.00 0.57 H new ATOM 1990 N VAL B 37 11.170 0.454 -5.038 1.00 0.41 N ATOM 1991 CA VAL B 37 10.681 1.819 -4.962 1.00 0.40 C ATOM 1992 C VAL B 37 9.684 2.120 -6.078 1.00 0.43 C ATOM 1993 O VAL B 37 9.997 2.002 -7.268 1.00 0.51 O ATOM 1994 CB VAL B 37 11.840 2.838 -5.020 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.331 4.246 -4.750 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.938 2.464 -4.031 1.00 0.46 C ATOM 0 H VAL B 37 11.928 0.314 -5.706 1.00 0.41 H new ATOM 0 HA VAL B 37 10.174 1.916 -4.002 1.00 0.40 H new ATOM 0 HB VAL B 37 12.264 2.814 -6.024 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.163 4.949 -4.795 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.588 4.514 -5.501 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.877 4.285 -3.760 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.744 3.195 -4.089 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.529 2.454 -3.021 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.327 1.475 -4.275 1.00 0.46 H new ATOM 2006 N LYS B 38 8.477 2.483 -5.678 1.00 0.41 N ATOM 2007 CA LYS B 38 7.425 2.833 -6.613 1.00 0.46 C ATOM 2008 C LYS B 38 7.503 4.325 -6.910 1.00 0.50 C ATOM 2009 O LYS B 38 7.153 5.159 -6.066 1.00 0.63 O ATOM 2010 CB LYS B 38 6.058 2.473 -6.033 1.00 0.51 C ATOM 2011 CG LYS B 38 5.930 1.008 -5.653 1.00 0.65 C ATOM 2012 CD LYS B 38 4.574 0.703 -5.034 1.00 0.80 C ATOM 2013 CE LYS B 38 3.456 0.808 -6.059 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.219 0.117 -5.609 1.00 1.38 N ATOM 0 H LYS B 38 8.201 2.543 -4.698 1.00 0.41 H new ATOM 0 HA LYS B 38 7.557 2.272 -7.538 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.873 3.087 -5.151 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.286 2.720 -6.762 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.073 0.389 -6.538 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.719 0.745 -4.949 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.585 -0.300 -4.608 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.383 1.396 -4.214 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.236 1.859 -6.248 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.789 0.377 -7.003 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.647 -0.146 -6.437 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.474 -0.740 -5.078 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.669 0.753 -4.997 1.00 1.38 H new ATOM 2028 N THR B 39 7.976 4.654 -8.098 1.00 0.55 N ATOM 2029 CA THR B 39 8.136 6.039 -8.503 1.00 0.60 C ATOM 2030 C THR B 39 7.083 6.419 -9.534 1.00 0.65 C ATOM 2031 O THR B 39 6.500 5.536 -10.171 1.00 0.67 O ATOM 2032 CB THR B 39 9.543 6.273 -9.105 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.644 5.635 -10.387 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.626 5.723 -8.187 1.00 0.68 C ATOM 0 H THR B 39 8.258 3.975 -8.805 1.00 0.55 H new ATOM 0 HA THR B 39 8.016 6.662 -7.617 1.00 0.60 H new ATOM 0 HB THR B 39 9.686 7.348 -9.216 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.422 4.685 -10.298 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.605 5.900 -8.632 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.572 6.223 -7.220 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.478 4.652 -8.050 1.00 0.68 H new ATOM 2042 N PRO B 40 6.810 7.724 -9.712 1.00 0.71 N ATOM 2043 CA PRO B 40 5.841 8.203 -10.707 1.00 0.78 C ATOM 2044 C PRO B 40 6.384 8.056 -12.133 1.00 0.81 C ATOM 2045 O PRO B 40 6.315 8.983 -12.941 1.00 0.87 O ATOM 2046 CB PRO B 40 5.663 9.680 -10.344 1.00 0.83 C ATOM 2047 CG PRO B 40 6.931 10.065 -9.670 1.00 0.85 C ATOM 2048 CD PRO B 40 7.402 8.840 -8.939 1.00 0.73 C ATOM 0 HA PRO B 40 4.908 7.639 -10.690 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.488 10.287 -11.233 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.806 9.824 -9.686 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.674 10.395 -10.396 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.770 10.893 -8.980 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.490 8.780 -8.917 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.062 8.835 -7.904 1.00 0.73 H new ATOM 2056 N LYS B 41 6.909 6.877 -12.430 1.00 0.82 N ATOM 2057 CA LYS B 41 7.484 6.586 -13.732 1.00 0.87 C ATOM 2058 C LYS B 41 7.613 5.078 -13.922 1.00 0.84 C ATOM 2059 O LYS B 41 7.147 4.527 -14.922 1.00 0.92 O ATOM 2060 CB LYS B 41 8.861 7.254 -13.869 1.00 0.93 C ATOM 2061 CG LYS B 41 9.493 7.087 -15.244 1.00 1.13 C ATOM 2062 CD LYS B 41 10.650 8.055 -15.453 1.00 1.21 C ATOM 2063 CE LYS B 41 11.861 7.687 -14.609 1.00 1.44 C ATOM 2064 NZ LYS B 41 13.004 8.612 -14.846 1.00 1.37 N ATOM 0 H LYS B 41 6.948 6.096 -11.775 1.00 0.82 H new ATOM 0 HA LYS B 41 6.824 6.985 -14.502 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.761 8.318 -13.652 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.532 6.837 -13.118 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.850 6.063 -15.359 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.739 7.250 -16.014 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.931 8.062 -16.506 1.00 1.21 H new ATOM 0 HD3 LYS B 41 10.327 9.065 -15.202 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.589 7.709 -13.554 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.167 6.666 -14.838 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 13.809 8.328 -14.253 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 13.281 8.572 -15.848 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.721 9.583 -14.603 1.00 1.37 H new ATOM 2078 N GLU B 42 8.237 4.416 -12.952 1.00 0.77 N ATOM 2079 CA GLU B 42 8.431 2.970 -13.007 1.00 0.75 C ATOM 2080 C GLU B 42 8.725 2.405 -11.620 1.00 0.70 C ATOM 2081 O GLU B 42 8.864 3.151 -10.648 1.00 0.73 O ATOM 2082 CB GLU B 42 9.572 2.623 -13.968 1.00 0.83 C ATOM 2083 CG GLU B 42 9.089 2.030 -15.282 1.00 1.03 C ATOM 2084 CD GLU B 42 10.134 2.080 -16.370 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.132 1.335 -16.280 1.00 1.28 O ATOM 2086 OE2 GLU B 42 9.966 2.868 -17.327 1.00 1.41 O ATOM 0 H GLU B 42 8.618 4.859 -12.116 1.00 0.77 H new ATOM 0 HA GLU B 42 7.509 2.519 -13.373 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.151 3.523 -14.174 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.244 1.915 -13.483 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.791 0.994 -15.119 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.201 2.569 -15.613 1.00 1.03 H new ATOM 2093 N LYS B 43 8.817 1.085 -11.535 1.00 0.68 N ATOM 2094 CA LYS B 43 9.096 0.410 -10.274 1.00 0.64 C ATOM 2095 C LYS B 43 10.478 -0.234 -10.312 1.00 0.63 C ATOM 2096 O LYS B 43 10.674 -1.281 -10.932 1.00 0.74 O ATOM 2097 CB LYS B 43 8.027 -0.651 -9.996 1.00 0.67 C ATOM 2098 CG LYS B 43 8.112 -1.255 -8.604 1.00 0.67 C ATOM 2099 CD LYS B 43 7.274 -2.522 -8.492 1.00 0.74 C ATOM 2100 CE LYS B 43 7.895 -3.677 -9.264 1.00 0.83 C ATOM 2101 NZ LYS B 43 7.127 -4.939 -9.093 1.00 0.98 N ATOM 0 H LYS B 43 8.702 0.456 -12.330 1.00 0.68 H new ATOM 0 HA LYS B 43 9.077 1.148 -9.472 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.042 -0.204 -10.129 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.118 -1.448 -10.734 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.151 -1.483 -8.368 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.771 -0.526 -7.869 1.00 0.67 H new ATOM 0 HD2 LYS B 43 7.171 -2.799 -7.443 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.270 -2.329 -8.870 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.942 -3.422 -10.323 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.921 -3.828 -8.927 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 7.584 -5.700 -9.635 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 7.104 -5.197 -8.086 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 6.155 -4.804 -9.438 1.00 0.98 H new ATOM 2115 N GLU B 44 11.432 0.397 -9.645 1.00 0.59 N ATOM 2116 CA GLU B 44 12.799 -0.108 -9.609 1.00 0.60 C ATOM 2117 C GLU B 44 13.123 -0.683 -8.235 1.00 0.56 C ATOM 2118 O GLU B 44 12.583 -0.237 -7.223 1.00 0.60 O ATOM 2119 CB GLU B 44 13.789 1.006 -9.959 1.00 0.64 C ATOM 2120 CG GLU B 44 15.183 0.500 -10.291 1.00 0.81 C ATOM 2121 CD GLU B 44 15.185 -0.457 -11.464 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.988 -1.673 -11.250 1.00 1.24 O ATOM 2123 OE2 GLU B 44 15.378 0.003 -12.606 1.00 1.21 O ATOM 0 H GLU B 44 11.287 1.260 -9.121 1.00 0.59 H new ATOM 0 HA GLU B 44 12.889 -0.903 -10.349 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.404 1.569 -10.809 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.854 1.700 -9.121 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.830 1.348 -10.516 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.603 0.001 -9.418 1.00 0.81 H new ATOM 2130 N GLU B 45 14.009 -1.668 -8.201 1.00 0.56 N ATOM 2131 CA GLU B 45 14.398 -2.299 -6.951 1.00 0.53 C ATOM 2132 C GLU B 45 15.885 -2.101 -6.695 1.00 0.55 C ATOM 2133 O GLU B 45 16.727 -2.538 -7.483 1.00 0.64 O ATOM 2134 CB GLU B 45 14.062 -3.787 -6.985 1.00 0.57 C ATOM 2135 CG GLU B 45 14.096 -4.456 -5.620 1.00 0.58 C ATOM 2136 CD GLU B 45 13.098 -5.589 -5.507 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.029 -6.424 -6.438 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.373 -5.644 -4.494 1.00 0.94 O ATOM 0 H GLU B 45 14.472 -2.047 -9.027 1.00 0.56 H new ATOM 0 HA GLU B 45 13.841 -1.832 -6.139 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.070 -3.916 -7.418 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.766 -4.294 -7.645 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.099 -4.839 -5.431 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.888 -3.714 -4.849 1.00 0.58 H new ATOM 2145 N PHE B 46 16.204 -1.446 -5.591 1.00 0.51 N ATOM 2146 CA PHE B 46 17.589 -1.186 -5.232 1.00 0.54 C ATOM 2147 C PHE B 46 18.118 -2.299 -4.338 1.00 0.54 C ATOM 2148 O PHE B 46 17.349 -3.129 -3.843 1.00 0.54 O ATOM 2149 CB PHE B 46 17.716 0.165 -4.521 1.00 0.53 C ATOM 2150 CG PHE B 46 17.518 1.352 -5.420 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.247 1.715 -5.844 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.600 2.112 -5.834 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.063 2.811 -6.663 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.420 3.208 -6.653 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.151 3.559 -7.068 1.00 0.87 C ATOM 0 H PHE B 46 15.521 -1.084 -4.926 1.00 0.51 H new ATOM 0 HA PHE B 46 18.182 -1.154 -6.146 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.985 0.209 -3.713 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.703 0.231 -4.062 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.393 1.134 -5.530 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.595 1.844 -5.512 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.069 3.083 -6.987 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.272 3.791 -6.969 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.009 4.417 -7.708 1.00 0.87 H new ATOM 2165 N ALA B 47 19.427 -2.322 -4.148 1.00 0.57 N ATOM 2166 CA ALA B 47 20.061 -3.332 -3.318 1.00 0.60 C ATOM 2167 C ALA B 47 21.067 -2.686 -2.370 1.00 0.60 C ATOM 2168 O ALA B 47 22.194 -2.368 -2.760 1.00 0.66 O ATOM 2169 CB ALA B 47 20.741 -4.381 -4.187 1.00 0.69 C ATOM 0 H ALA B 47 20.074 -1.649 -4.560 1.00 0.57 H new ATOM 0 HA ALA B 47 19.293 -3.824 -2.721 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.212 -5.131 -3.551 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.999 -4.861 -4.826 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.500 -3.904 -4.807 1.00 0.69 H new ATOM 2175 N VAL B 48 20.654 -2.492 -1.127 1.00 0.57 N ATOM 2176 CA VAL B 48 21.506 -1.876 -0.120 1.00 0.59 C ATOM 2177 C VAL B 48 21.648 -2.796 1.090 1.00 0.58 C ATOM 2178 O VAL B 48 20.799 -3.659 1.313 1.00 0.57 O ATOM 2179 CB VAL B 48 20.949 -0.506 0.332 1.00 0.59 C ATOM 2180 CG1 VAL B 48 21.206 0.551 -0.735 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.461 -0.599 0.649 1.00 0.56 C ATOM 0 H VAL B 48 19.728 -2.754 -0.789 1.00 0.57 H new ATOM 0 HA VAL B 48 22.485 -1.715 -0.572 1.00 0.59 H new ATOM 0 HB VAL B 48 21.469 -0.212 1.244 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.808 1.509 -0.401 1.00 0.66 H new ATOM 0 HG12 VAL B 48 22.279 0.643 -0.905 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.716 0.258 -1.663 1.00 0.66 H new ATOM 0 HG21 VAL B 48 19.094 0.378 0.964 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.919 -0.920 -0.240 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.304 -1.321 1.450 1.00 0.56 H new ATOM 2191 N PRO B 49 22.730 -2.643 1.873 1.00 0.62 N ATOM 2192 CA PRO B 49 22.968 -3.465 3.064 1.00 0.63 C ATOM 2193 C PRO B 49 22.051 -3.096 4.227 1.00 0.60 C ATOM 2194 O PRO B 49 21.435 -2.025 4.239 1.00 0.61 O ATOM 2195 CB PRO B 49 24.429 -3.168 3.431 1.00 0.69 C ATOM 2196 CG PRO B 49 24.984 -2.365 2.302 1.00 0.79 C ATOM 2197 CD PRO B 49 23.818 -1.679 1.662 1.00 0.67 C ATOM 0 HA PRO B 49 22.769 -4.518 2.864 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.491 -2.616 4.369 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.992 -4.091 3.566 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.712 -1.639 2.663 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.500 -3.005 1.586 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.605 -0.718 2.130 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.991 -1.487 0.603 1.00 0.67 H new ATOM 2205 N GLU B 50 21.981 -3.987 5.209 1.00 0.61 N ATOM 2206 CA GLU B 50 21.146 -3.776 6.384 1.00 0.61 C ATOM 2207 C GLU B 50 21.770 -2.759 7.338 1.00 0.67 C ATOM 2208 O GLU B 50 21.069 -2.135 8.130 1.00 1.01 O ATOM 2209 CB GLU B 50 20.929 -5.095 7.121 1.00 0.68 C ATOM 2210 CG GLU B 50 20.130 -6.115 6.330 1.00 0.86 C ATOM 2211 CD GLU B 50 19.756 -7.330 7.155 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.827 -7.255 8.402 1.00 1.12 O ATOM 2213 OE2 GLU B 50 19.372 -8.358 6.566 1.00 1.08 O ATOM 0 H GLU B 50 22.496 -4.867 5.214 1.00 0.61 H new ATOM 0 HA GLU B 50 20.188 -3.384 6.041 1.00 0.61 H new ATOM 0 HB2 GLU B 50 21.899 -5.523 7.373 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.415 -4.895 8.061 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.223 -5.645 5.950 1.00 0.86 H new ATOM 0 HG3 GLU B 50 20.710 -6.433 5.464 1.00 0.86 H new ATOM 2220 N ASN B 51 23.085 -2.603 7.273 1.00 0.67 N ATOM 2221 CA ASN B 51 23.788 -1.668 8.146 1.00 0.69 C ATOM 2222 C ASN B 51 24.132 -0.377 7.401 1.00 0.71 C ATOM 2223 O ASN B 51 25.299 -0.009 7.254 1.00 0.96 O ATOM 2224 CB ASN B 51 25.055 -2.317 8.729 1.00 0.76 C ATOM 2225 CG ASN B 51 26.010 -2.839 7.669 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.597 -3.227 6.575 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.293 -2.854 7.987 1.00 1.20 N ATOM 0 H ASN B 51 23.688 -3.111 6.626 1.00 0.67 H new ATOM 0 HA ASN B 51 23.125 -1.412 8.972 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.576 -1.587 9.348 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.765 -3.140 9.382 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.981 -3.195 7.316 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.595 -2.524 8.904 1.00 1.20 H new ATOM 2234 N SER B 52 23.105 0.309 6.922 1.00 0.65 N ATOM 2235 CA SER B 52 23.288 1.560 6.201 1.00 0.67 C ATOM 2236 C SER B 52 22.178 2.545 6.558 1.00 0.63 C ATOM 2237 O SER B 52 21.032 2.150 6.778 1.00 0.68 O ATOM 2238 CB SER B 52 23.315 1.300 4.694 1.00 0.71 C ATOM 2239 OG SER B 52 24.324 0.362 4.355 1.00 0.86 O ATOM 0 H SER B 52 22.132 0.019 7.020 1.00 0.65 H new ATOM 0 HA SER B 52 24.242 1.999 6.493 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.344 0.927 4.369 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.491 2.236 4.164 1.00 0.71 H new ATOM 0 HG SER B 52 24.763 0.640 3.524 1.00 0.86 H new ATOM 2245 N SER B 53 22.527 3.821 6.632 1.00 0.65 N ATOM 2246 CA SER B 53 21.567 4.864 6.966 1.00 0.64 C ATOM 2247 C SER B 53 20.681 5.208 5.766 1.00 0.57 C ATOM 2248 O SER B 53 21.000 4.873 4.620 1.00 0.58 O ATOM 2249 CB SER B 53 22.312 6.110 7.448 1.00 0.75 C ATOM 2250 OG SER B 53 23.717 5.930 7.349 1.00 0.89 O ATOM 0 H SER B 53 23.474 4.161 6.464 1.00 0.65 H new ATOM 0 HA SER B 53 20.920 4.496 7.762 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.009 6.972 6.854 1.00 0.75 H new ATOM 0 HB3 SER B 53 22.041 6.324 8.482 1.00 0.75 H new ATOM 0 HG SER B 53 24.173 6.739 7.661 1.00 0.89 H new ATOM 2256 N VAL B 54 19.572 5.886 6.038 1.00 0.54 N ATOM 2257 CA VAL B 54 18.626 6.277 4.997 1.00 0.49 C ATOM 2258 C VAL B 54 19.205 7.387 4.126 1.00 0.48 C ATOM 2259 O VAL B 54 18.950 7.437 2.925 1.00 0.47 O ATOM 2260 CB VAL B 54 17.288 6.756 5.596 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.221 6.871 4.518 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.832 5.824 6.705 1.00 0.58 C ATOM 0 H VAL B 54 19.304 6.179 6.978 1.00 0.54 H new ATOM 0 HA VAL B 54 18.442 5.392 4.388 1.00 0.49 H new ATOM 0 HB VAL B 54 17.445 7.746 6.024 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.287 7.210 4.965 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.543 7.588 3.762 1.00 0.57 H new ATOM 0 HG13 VAL B 54 16.068 5.897 4.053 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.886 6.180 7.114 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.698 4.819 6.304 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.583 5.803 7.494 1.00 0.58 H new ATOM 2272 N GLN B 55 19.998 8.263 4.735 1.00 0.53 N ATOM 2273 CA GLN B 55 20.617 9.379 4.020 1.00 0.58 C ATOM 2274 C GLN B 55 21.457 8.878 2.849 1.00 0.58 C ATOM 2275 O GLN B 55 21.480 9.490 1.779 1.00 0.64 O ATOM 2276 CB GLN B 55 21.484 10.195 4.976 1.00 0.67 C ATOM 2277 CG GLN B 55 21.337 11.699 4.796 1.00 0.88 C ATOM 2278 CD GLN B 55 21.686 12.471 6.048 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.820 12.925 6.222 1.00 1.13 O ATOM 2280 NE2 GLN B 55 20.716 12.626 6.931 1.00 1.23 N ATOM 0 H GLN B 55 20.229 8.223 5.728 1.00 0.53 H new ATOM 0 HA GLN B 55 19.824 10.014 3.624 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.225 9.933 6.002 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.529 9.920 4.831 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.980 12.028 3.980 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.311 11.928 4.506 1.00 0.88 H new ATOM 0 HE21 GLN B 55 19.792 12.234 6.748 1.00 1.23 H new ATOM 0 HE22 GLN B 55 20.891 13.137 7.796 1.00 1.23 H new ATOM 2289 N GLN B 56 22.138 7.756 3.058 1.00 0.56 N ATOM 2290 CA GLN B 56 22.972 7.158 2.026 1.00 0.60 C ATOM 2291 C GLN B 56 22.104 6.600 0.903 1.00 0.55 C ATOM 2292 O GLN B 56 22.480 6.633 -0.268 1.00 0.62 O ATOM 2293 CB GLN B 56 23.832 6.042 2.617 1.00 0.65 C ATOM 2294 CG GLN B 56 25.177 5.888 1.930 1.00 0.80 C ATOM 2295 CD GLN B 56 26.301 6.555 2.696 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.975 5.918 3.506 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.512 7.840 2.450 1.00 1.27 N ATOM 0 H GLN B 56 22.127 7.241 3.939 1.00 0.56 H new ATOM 0 HA GLN B 56 23.625 7.931 1.621 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.994 6.241 3.676 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.288 5.100 2.549 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.402 4.828 1.812 1.00 0.80 H new ATOM 0 HG3 GLN B 56 25.121 6.315 0.929 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.931 8.331 1.771 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.256 8.338 2.940 1.00 1.27 H new ATOM 2306 N PHE B 57 20.935 6.096 1.278 1.00 0.50 N ATOM 2307 CA PHE B 57 19.995 5.535 0.316 1.00 0.49 C ATOM 2308 C PHE B 57 19.357 6.653 -0.502 1.00 0.47 C ATOM 2309 O PHE B 57 19.304 6.584 -1.731 1.00 0.49 O ATOM 2310 CB PHE B 57 18.920 4.724 1.046 1.00 0.48 C ATOM 2311 CG PHE B 57 17.963 4.006 0.136 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.429 3.265 -0.938 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.595 4.070 0.360 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.549 2.603 -1.772 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.711 3.410 -0.471 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.190 2.676 -1.539 1.00 0.64 C ATOM 0 H PHE B 57 20.614 6.064 2.246 1.00 0.50 H new ATOM 0 HA PHE B 57 20.531 4.871 -0.362 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.408 3.993 1.691 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.354 5.393 1.694 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.491 3.204 -1.125 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.217 4.643 1.194 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.924 2.028 -2.606 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.648 3.468 -0.286 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.502 2.159 -2.191 1.00 0.64 H new ATOM 2326 N LYS B 58 18.887 7.685 0.195 1.00 0.47 N ATOM 2327 CA LYS B 58 18.254 8.835 -0.442 1.00 0.48 C ATOM 2328 C LYS B 58 19.188 9.458 -1.472 1.00 0.49 C ATOM 2329 O LYS B 58 18.798 9.692 -2.613 1.00 0.53 O ATOM 2330 CB LYS B 58 17.878 9.889 0.606 1.00 0.53 C ATOM 2331 CG LYS B 58 16.731 9.476 1.512 1.00 0.62 C ATOM 2332 CD LYS B 58 16.582 10.424 2.695 1.00 0.70 C ATOM 2333 CE LYS B 58 16.288 11.851 2.247 1.00 0.77 C ATOM 2334 NZ LYS B 58 15.700 12.667 3.342 1.00 1.01 N ATOM 0 H LYS B 58 18.934 7.747 1.212 1.00 0.47 H new ATOM 0 HA LYS B 58 17.350 8.488 -0.943 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.753 10.105 1.219 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.610 10.814 0.096 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.803 9.458 0.940 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.901 8.463 1.876 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.778 10.074 3.342 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.496 10.411 3.288 1.00 0.70 H new ATOM 0 HE2 LYS B 58 17.209 12.319 1.900 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.602 11.831 1.400 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.971 13.663 3.217 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 14.664 12.584 3.318 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 16.054 12.325 4.258 1.00 1.01 H new ATOM 2348 N GLU B 59 20.427 9.702 -1.049 1.00 0.51 N ATOM 2349 CA GLU B 59 21.439 10.294 -1.915 1.00 0.56 C ATOM 2350 C GLU B 59 21.667 9.430 -3.151 1.00 0.57 C ATOM 2351 O GLU B 59 21.759 9.940 -4.270 1.00 0.65 O ATOM 2352 CB GLU B 59 22.747 10.460 -1.140 1.00 0.63 C ATOM 2353 CG GLU B 59 23.655 11.549 -1.681 1.00 1.06 C ATOM 2354 CD GLU B 59 24.987 11.596 -0.964 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.026 12.038 0.204 1.00 1.14 O ATOM 2356 OE2 GLU B 59 26.001 11.176 -1.557 1.00 1.30 O ATOM 0 H GLU B 59 20.753 9.496 -0.105 1.00 0.51 H new ATOM 0 HA GLU B 59 21.088 11.272 -2.244 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.514 10.681 -0.098 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.287 9.513 -1.152 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.823 11.383 -2.745 1.00 1.06 H new ATOM 0 HG3 GLU B 59 23.158 12.514 -1.584 1.00 1.06 H new ATOM 2363 N ALA B 60 21.733 8.121 -2.942 1.00 0.55 N ATOM 2364 CA ALA B 60 21.947 7.180 -4.031 1.00 0.57 C ATOM 2365 C ALA B 60 20.812 7.251 -5.046 1.00 0.56 C ATOM 2366 O ALA B 60 21.051 7.301 -6.253 1.00 0.59 O ATOM 2367 CB ALA B 60 22.082 5.767 -3.487 1.00 0.59 C ATOM 0 H ALA B 60 21.641 7.687 -2.024 1.00 0.55 H new ATOM 0 HA ALA B 60 22.872 7.452 -4.539 1.00 0.57 H new ATOM 0 HB1 ALA B 60 22.242 5.073 -4.312 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.930 5.720 -2.804 1.00 0.59 H new ATOM 0 HB3 ALA B 60 21.171 5.494 -2.954 1.00 0.59 H new ATOM 2373 N ILE B 61 19.577 7.269 -4.553 1.00 0.52 N ATOM 2374 CA ILE B 61 18.408 7.335 -5.425 1.00 0.52 C ATOM 2375 C ILE B 61 18.447 8.588 -6.293 1.00 0.55 C ATOM 2376 O ILE B 61 18.279 8.512 -7.510 1.00 0.59 O ATOM 2377 CB ILE B 61 17.079 7.323 -4.632 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.981 6.072 -3.759 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.889 7.398 -5.584 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.780 6.069 -2.839 1.00 0.56 C ATOM 0 H ILE B 61 19.360 7.239 -3.557 1.00 0.52 H new ATOM 0 HA ILE B 61 18.446 6.444 -6.051 1.00 0.52 H new ATOM 0 HB ILE B 61 17.062 8.198 -3.982 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.938 5.193 -4.402 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.887 5.985 -3.160 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.963 7.389 -5.010 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.946 8.318 -6.166 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.907 6.541 -6.257 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.775 5.152 -2.250 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.831 6.929 -2.171 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.867 6.124 -3.432 1.00 0.56 H new ATOM 2392 N SER B 62 18.699 9.731 -5.670 1.00 0.55 N ATOM 2393 CA SER B 62 18.743 10.997 -6.388 1.00 0.59 C ATOM 2394 C SER B 62 19.900 11.058 -7.380 1.00 0.63 C ATOM 2395 O SER B 62 19.841 11.794 -8.358 1.00 0.70 O ATOM 2396 CB SER B 62 18.846 12.157 -5.407 1.00 0.61 C ATOM 2397 OG SER B 62 19.674 11.831 -4.301 1.00 0.70 O ATOM 0 H SER B 62 18.876 9.807 -4.668 1.00 0.55 H new ATOM 0 HA SER B 62 17.816 11.076 -6.955 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.247 13.032 -5.918 1.00 0.61 H new ATOM 0 HB3 SER B 62 17.851 12.424 -5.052 1.00 0.61 H new ATOM 0 HG SER B 62 19.777 12.618 -3.726 1.00 0.70 H new ATOM 2403 N LYS B 63 20.944 10.282 -7.137 1.00 0.63 N ATOM 2404 CA LYS B 63 22.097 10.277 -8.024 1.00 0.69 C ATOM 2405 C LYS B 63 21.873 9.324 -9.193 1.00 0.71 C ATOM 2406 O LYS B 63 22.449 9.501 -10.266 1.00 0.82 O ATOM 2407 CB LYS B 63 23.363 9.897 -7.252 1.00 0.72 C ATOM 2408 CG LYS B 63 24.617 10.582 -7.774 1.00 0.84 C ATOM 2409 CD LYS B 63 24.488 12.101 -7.741 1.00 1.00 C ATOM 2410 CE LYS B 63 25.807 12.789 -8.055 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.359 12.375 -9.371 1.00 1.28 N ATOM 0 H LYS B 63 21.017 9.651 -6.339 1.00 0.63 H new ATOM 0 HA LYS B 63 22.227 11.282 -8.425 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.229 10.152 -6.201 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.500 8.817 -7.303 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.474 10.277 -7.174 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.811 10.256 -8.796 1.00 0.84 H new ATOM 0 HD2 LYS B 63 23.733 12.417 -8.461 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.140 12.415 -6.757 1.00 1.00 H new ATOM 0 HE2 LYS B 63 25.662 13.869 -8.048 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.530 12.560 -7.272 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.172 12.977 -9.611 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.665 11.382 -9.322 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 25.626 12.476 -10.102 1.00 1.28 H new ATOM 2425 N ARG B 64 21.031 8.320 -8.982 1.00 0.67 N ATOM 2426 CA ARG B 64 20.733 7.346 -10.023 1.00 0.70 C ATOM 2427 C ARG B 64 19.541 7.799 -10.867 1.00 0.70 C ATOM 2428 O ARG B 64 19.620 7.848 -12.094 1.00 0.75 O ATOM 2429 CB ARG B 64 20.443 5.971 -9.410 1.00 0.70 C ATOM 2430 CG ARG B 64 21.604 5.377 -8.622 1.00 0.72 C ATOM 2431 CD ARG B 64 22.781 5.004 -9.515 1.00 0.81 C ATOM 2432 NE ARG B 64 23.644 6.149 -9.813 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.606 6.589 -9.001 1.00 0.95 C ATOM 2434 NH1 ARG B 64 24.829 5.985 -7.841 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.346 7.633 -9.356 1.00 1.07 N ATOM 0 H ARG B 64 20.543 8.159 -8.101 1.00 0.67 H new ATOM 0 HA ARG B 64 21.608 7.268 -10.668 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.578 6.055 -8.752 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.170 5.281 -10.208 1.00 0.70 H new ATOM 0 HG2 ARG B 64 21.934 6.094 -7.871 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.261 4.491 -8.088 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.370 4.226 -9.029 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.406 4.583 -10.448 1.00 0.81 H new ATOM 0 HE ARG B 64 23.501 6.640 -10.695 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.264 5.181 -7.568 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.566 6.324 -7.223 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.178 8.097 -10.249 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.082 7.971 -8.736 1.00 1.07 H new ATOM 2449 N PHE B 65 18.445 8.142 -10.201 1.00 0.67 N ATOM 2450 CA PHE B 65 17.235 8.582 -10.886 1.00 0.68 C ATOM 2451 C PHE B 65 17.347 10.042 -11.306 1.00 0.70 C ATOM 2452 O PHE B 65 16.736 10.457 -12.288 1.00 0.75 O ATOM 2453 CB PHE B 65 16.016 8.397 -9.980 1.00 0.66 C ATOM 2454 CG PHE B 65 15.226 7.155 -10.276 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.734 5.899 -9.967 1.00 0.88 C ATOM 2456 CD2 PHE B 65 13.973 7.240 -10.863 1.00 0.82 C ATOM 2457 CE1 PHE B 65 15.003 4.757 -10.239 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.239 6.102 -11.135 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.754 4.859 -10.822 1.00 1.00 C ATOM 0 H PHE B 65 18.369 8.124 -9.184 1.00 0.67 H new ATOM 0 HA PHE B 65 17.114 7.972 -11.781 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.347 8.367 -8.942 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.364 9.264 -10.082 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.709 5.814 -9.510 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.565 8.209 -11.111 1.00 0.82 H new ATOM 0 HE1 PHE B 65 15.408 3.786 -9.996 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.264 6.184 -11.592 1.00 0.97 H new ATOM 0 HZ PHE B 65 13.181 3.968 -11.033 1.00 1.00 H new ATOM 2469 N LYS B 66 18.129 10.804 -10.545 1.00 0.68 N ATOM 2470 CA LYS B 66 18.345 12.227 -10.811 1.00 0.71 C ATOM 2471 C LYS B 66 17.042 13.014 -10.712 1.00 0.70 C ATOM 2472 O LYS B 66 16.508 13.497 -11.716 1.00 0.83 O ATOM 2473 CB LYS B 66 18.997 12.431 -12.181 1.00 0.79 C ATOM 2474 CG LYS B 66 19.772 13.737 -12.300 1.00 0.93 C ATOM 2475 CD LYS B 66 20.572 13.802 -13.593 1.00 1.05 C ATOM 2476 CE LYS B 66 19.671 14.005 -14.799 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.442 14.022 -16.070 1.00 1.27 N ATOM 0 H LYS B 66 18.630 10.455 -9.728 1.00 0.68 H new ATOM 0 HA LYS B 66 19.023 12.608 -10.047 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.672 11.599 -12.380 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.224 12.406 -12.949 1.00 0.79 H new ATOM 0 HG2 LYS B 66 19.078 14.577 -12.259 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.446 13.839 -11.450 1.00 0.93 H new ATOM 0 HD2 LYS B 66 21.292 14.618 -13.535 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.142 12.881 -13.715 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.928 13.208 -14.836 1.00 1.07 H new ATOM 0 HE3 LYS B 66 19.127 14.943 -14.692 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.791 14.163 -16.869 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 21.134 14.798 -16.046 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.941 13.117 -16.185 1.00 1.27 H new ATOM 2491 N SER B 67 16.533 13.129 -9.492 1.00 0.66 N ATOM 2492 CA SER B 67 15.295 13.854 -9.237 1.00 0.68 C ATOM 2493 C SER B 67 15.476 14.839 -8.077 1.00 0.69 C ATOM 2494 O SER B 67 15.680 16.032 -8.299 1.00 0.90 O ATOM 2495 CB SER B 67 14.159 12.869 -8.935 1.00 0.68 C ATOM 2496 OG SER B 67 14.366 11.633 -9.605 1.00 1.34 O ATOM 0 H SER B 67 16.962 12.727 -8.659 1.00 0.66 H new ATOM 0 HA SER B 67 15.035 14.423 -10.129 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.097 12.698 -7.860 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.207 13.300 -9.245 1.00 0.68 H new ATOM 0 HG SER B 67 13.630 11.020 -9.396 1.00 1.34 H new ATOM 2502 N GLN B 68 15.421 14.332 -6.848 1.00 0.59 N ATOM 2503 CA GLN B 68 15.574 15.158 -5.653 1.00 0.59 C ATOM 2504 C GLN B 68 16.080 14.302 -4.499 1.00 0.54 C ATOM 2505 O GLN B 68 16.038 13.076 -4.582 1.00 0.52 O ATOM 2506 CB GLN B 68 14.239 15.799 -5.275 1.00 0.64 C ATOM 2507 CG GLN B 68 14.078 17.226 -5.773 1.00 0.79 C ATOM 2508 CD GLN B 68 12.634 17.683 -5.750 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.722 16.902 -6.007 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.412 18.948 -5.431 1.00 1.09 N ATOM 0 H GLN B 68 15.270 13.342 -6.653 1.00 0.59 H new ATOM 0 HA GLN B 68 16.295 15.948 -5.862 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.429 15.191 -5.677 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.137 15.790 -4.190 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.678 17.894 -5.155 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.464 17.299 -6.790 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.196 19.567 -5.224 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.457 19.304 -5.392 1.00 1.09 H new ATOM 2519 N THR B 69 16.554 14.934 -3.432 1.00 0.56 N ATOM 2520 CA THR B 69 17.057 14.194 -2.280 1.00 0.56 C ATOM 2521 C THR B 69 16.358 14.617 -0.989 1.00 0.54 C ATOM 2522 O THR B 69 15.814 13.782 -0.267 1.00 0.55 O ATOM 2523 CB THR B 69 18.573 14.393 -2.103 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.225 14.361 -3.376 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.161 13.314 -1.207 1.00 0.70 C ATOM 0 H THR B 69 16.601 15.949 -3.340 1.00 0.56 H new ATOM 0 HA THR B 69 16.847 13.143 -2.476 1.00 0.56 H new ATOM 0 HB THR B 69 18.734 15.364 -1.634 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.189 14.490 -3.253 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.233 13.476 -1.097 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.686 13.356 -0.227 1.00 0.70 H new ATOM 0 HG23 THR B 69 18.986 12.335 -1.654 1.00 0.70 H new ATOM 2533 N ASP B 70 16.361 15.916 -0.712 1.00 0.56 N ATOM 2534 CA ASP B 70 15.745 16.438 0.507 1.00 0.58 C ATOM 2535 C ASP B 70 14.223 16.349 0.444 1.00 0.55 C ATOM 2536 O ASP B 70 13.570 15.974 1.420 1.00 0.57 O ATOM 2537 CB ASP B 70 16.174 17.887 0.749 1.00 0.66 C ATOM 2538 CG ASP B 70 15.653 18.430 2.068 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.097 17.944 3.131 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.806 19.345 2.046 1.00 0.95 O ATOM 0 H ASP B 70 16.781 16.627 -1.311 1.00 0.56 H new ATOM 0 HA ASP B 70 16.088 15.822 1.338 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.262 17.948 0.738 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.812 18.512 -0.067 1.00 0.66 H new ATOM 2545 N GLN B 71 13.663 16.684 -0.712 1.00 0.56 N ATOM 2546 CA GLN B 71 12.217 16.640 -0.903 1.00 0.58 C ATOM 2547 C GLN B 71 11.760 15.215 -1.206 1.00 0.54 C ATOM 2548 O GLN B 71 10.564 14.924 -1.242 1.00 0.66 O ATOM 2549 CB GLN B 71 11.811 17.588 -2.035 1.00 0.65 C ATOM 2550 CG GLN B 71 10.386 18.107 -1.912 1.00 0.83 C ATOM 2551 CD GLN B 71 10.083 19.214 -2.901 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.642 18.966 -4.023 1.00 1.13 O ATOM 2553 NE2 GLN B 71 10.315 20.450 -2.491 1.00 1.18 N ATOM 0 H GLN B 71 14.187 16.989 -1.532 1.00 0.56 H new ATOM 0 HA GLN B 71 11.731 16.964 0.017 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.497 18.435 -2.052 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.919 17.070 -2.988 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.689 17.284 -2.068 1.00 0.83 H new ATOM 0 HG3 GLN B 71 10.223 18.475 -0.899 1.00 0.83 H new ATOM 0 HE21 GLN B 71 10.681 20.616 -1.553 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.128 21.237 -3.112 1.00 1.18 H new ATOM 2562 N LEU B 72 12.725 14.328 -1.408 1.00 0.51 N ATOM 2563 CA LEU B 72 12.438 12.935 -1.705 1.00 0.49 C ATOM 2564 C LEU B 72 12.037 12.195 -0.430 1.00 0.43 C ATOM 2565 O LEU B 72 12.849 12.034 0.483 1.00 0.51 O ATOM 2566 CB LEU B 72 13.666 12.271 -2.326 1.00 0.57 C ATOM 2567 CG LEU B 72 13.371 11.189 -3.360 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.923 11.814 -4.673 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.594 10.306 -3.573 1.00 1.00 C ATOM 0 H LEU B 72 13.719 14.553 -1.371 1.00 0.51 H new ATOM 0 HA LEU B 72 11.611 12.890 -2.413 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.277 13.042 -2.796 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.264 11.833 -1.527 1.00 0.57 H new ATOM 0 HG LEU B 72 12.560 10.565 -2.985 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.717 11.027 -5.399 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.019 12.400 -4.507 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.711 12.463 -5.055 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.365 9.540 -4.314 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.426 10.915 -3.926 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.868 9.830 -2.631 1.00 1.00 H new ATOM 2581 N VAL B 73 10.791 11.752 -0.366 1.00 0.37 N ATOM 2582 CA VAL B 73 10.295 11.045 0.806 1.00 0.35 C ATOM 2583 C VAL B 73 9.817 9.645 0.435 1.00 0.30 C ATOM 2584 O VAL B 73 9.137 9.453 -0.574 1.00 0.31 O ATOM 2585 CB VAL B 73 9.141 11.820 1.477 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.734 11.166 2.788 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.530 13.271 1.705 1.00 0.55 C ATOM 0 H VAL B 73 10.104 11.869 -1.111 1.00 0.37 H new ATOM 0 HA VAL B 73 11.123 10.965 1.511 1.00 0.35 H new ATOM 0 HB VAL B 73 8.284 11.793 0.804 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.919 11.732 3.240 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.404 10.145 2.598 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.586 11.152 3.467 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.703 13.799 2.179 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.407 13.315 2.351 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.760 13.741 0.749 1.00 0.55 H new ATOM 2597 N LEU B 74 10.191 8.673 1.257 1.00 0.30 N ATOM 2598 CA LEU B 74 9.796 7.290 1.042 1.00 0.29 C ATOM 2599 C LEU B 74 8.506 7.015 1.806 1.00 0.28 C ATOM 2600 O LEU B 74 8.252 7.637 2.833 1.00 0.36 O ATOM 2601 CB LEU B 74 10.900 6.322 1.498 1.00 0.33 C ATOM 2602 CG LEU B 74 12.048 6.089 0.506 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.511 5.671 -0.854 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.916 7.332 0.374 1.00 0.64 C ATOM 0 H LEU B 74 10.771 8.820 2.083 1.00 0.30 H new ATOM 0 HA LEU B 74 9.634 7.131 -0.024 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.323 6.699 2.429 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.441 5.359 1.723 1.00 0.33 H new ATOM 0 HG LEU B 74 12.666 5.281 0.896 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.343 5.512 -1.540 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.942 4.747 -0.752 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.863 6.455 -1.246 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.722 7.140 -0.335 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.309 8.163 0.016 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.340 7.584 1.346 1.00 0.64 H new ATOM 2616 N ILE B 75 7.689 6.112 1.298 1.00 0.29 N ATOM 2617 CA ILE B 75 6.419 5.788 1.939 1.00 0.33 C ATOM 2618 C ILE B 75 6.290 4.294 2.212 1.00 0.31 C ATOM 2619 O ILE B 75 6.532 3.476 1.325 1.00 0.36 O ATOM 2620 CB ILE B 75 5.228 6.227 1.062 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.290 7.728 0.758 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.912 5.869 1.727 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.375 8.605 1.992 1.00 0.74 C ATOM 0 H ILE B 75 7.878 5.587 0.444 1.00 0.29 H new ATOM 0 HA ILE B 75 6.403 6.329 2.885 1.00 0.33 H new ATOM 0 HB ILE B 75 5.292 5.690 0.116 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.155 7.924 0.125 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.406 8.009 0.185 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.085 6.187 1.092 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.861 4.790 1.876 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.843 6.372 2.692 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.415 9.652 1.692 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.497 8.440 2.617 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.274 8.354 2.555 1.00 0.74 H new ATOM 2635 N PHE B 76 5.889 3.945 3.430 1.00 0.31 N ATOM 2636 CA PHE B 76 5.706 2.550 3.813 1.00 0.35 C ATOM 2637 C PHE B 76 4.244 2.288 4.185 1.00 0.31 C ATOM 2638 O PHE B 76 3.908 2.087 5.357 1.00 0.40 O ATOM 2639 CB PHE B 76 6.647 2.183 4.971 1.00 0.48 C ATOM 2640 CG PHE B 76 6.514 0.761 5.459 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.197 -0.269 4.587 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.700 0.464 6.800 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.069 -1.565 5.042 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.574 -0.832 7.261 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.259 -1.848 6.379 1.00 0.78 C ATOM 0 H PHE B 76 5.684 4.614 4.172 1.00 0.31 H new ATOM 0 HA PHE B 76 5.957 1.916 2.962 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.676 2.350 4.653 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.457 2.859 5.805 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.048 -0.054 3.539 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.946 1.255 7.493 1.00 0.62 H new ATOM 0 HE1 PHE B 76 5.820 -2.358 4.352 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.721 -1.051 8.308 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.162 -2.863 6.736 1.00 0.78 H new ATOM 2655 N ALA B 77 3.379 2.343 3.169 1.00 0.40 N ATOM 2656 CA ALA B 77 1.945 2.086 3.324 1.00 0.48 C ATOM 2657 C ALA B 77 1.311 2.991 4.378 1.00 0.41 C ATOM 2658 O ALA B 77 1.120 2.586 5.527 1.00 0.44 O ATOM 2659 CB ALA B 77 1.694 0.619 3.660 1.00 0.62 C ATOM 0 H ALA B 77 3.654 2.568 2.213 1.00 0.40 H new ATOM 0 HA ALA B 77 1.472 2.315 2.369 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.623 0.449 3.771 1.00 0.62 H new ATOM 0 HB2 ALA B 77 2.080 -0.009 2.857 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.200 0.368 4.592 1.00 0.62 H new ATOM 2665 N GLY B 78 0.977 4.211 3.978 1.00 0.46 N ATOM 2666 CA GLY B 78 0.368 5.150 4.900 1.00 0.54 C ATOM 2667 C GLY B 78 1.317 5.599 5.993 1.00 0.50 C ATOM 2668 O GLY B 78 0.912 5.778 7.144 1.00 0.63 O ATOM 0 H GLY B 78 1.117 4.567 3.032 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.020 6.022 4.346 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.510 4.689 5.354 1.00 0.54 H new ATOM 2672 N LYS B 79 2.584 5.769 5.638 1.00 0.42 N ATOM 2673 CA LYS B 79 3.594 6.205 6.590 1.00 0.43 C ATOM 2674 C LYS B 79 4.755 6.856 5.856 1.00 0.39 C ATOM 2675 O LYS B 79 5.215 6.336 4.839 1.00 0.43 O ATOM 2676 CB LYS B 79 4.098 5.015 7.418 1.00 0.50 C ATOM 2677 CG LYS B 79 3.797 5.130 8.905 1.00 0.72 C ATOM 2678 CD LYS B 79 2.301 5.183 9.167 1.00 1.16 C ATOM 2679 CE LYS B 79 1.998 5.609 10.591 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.554 5.901 10.787 1.00 2.02 N ATOM 0 H LYS B 79 2.936 5.611 4.694 1.00 0.42 H new ATOM 0 HA LYS B 79 3.145 6.934 7.264 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.646 4.100 7.035 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.175 4.919 7.281 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.230 4.280 9.432 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.270 6.027 9.305 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.834 5.880 8.471 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.863 4.203 8.979 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.306 4.821 11.279 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.584 6.494 10.838 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.443 6.627 11.523 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.146 6.247 9.895 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.061 5.033 11.080 1.00 2.02 H new ATOM 2694 N ILE B 80 5.220 7.989 6.364 1.00 0.37 N ATOM 2695 CA ILE B 80 6.326 8.699 5.736 1.00 0.39 C ATOM 2696 C ILE B 80 7.667 8.255 6.312 1.00 0.39 C ATOM 2697 O ILE B 80 7.817 8.097 7.524 1.00 0.61 O ATOM 2698 CB ILE B 80 6.191 10.233 5.876 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.014 10.633 7.342 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.026 10.741 5.039 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.102 12.124 7.579 1.00 1.18 C ATOM 0 H ILE B 80 4.851 8.434 7.204 1.00 0.37 H new ATOM 0 HA ILE B 80 6.288 8.447 4.676 1.00 0.39 H new ATOM 0 HB ILE B 80 7.109 10.692 5.509 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.046 10.274 7.693 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.776 10.133 7.941 1.00 0.67 H new ATOM 0 HG21 ILE B 80 4.944 11.822 5.148 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.196 10.494 3.991 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.103 10.271 5.378 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.967 12.332 8.640 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.079 12.486 7.259 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.323 12.630 7.008 1.00 1.18 H new ATOM 2713 N LEU B 81 8.621 8.022 5.429 1.00 0.30 N ATOM 2714 CA LEU B 81 9.957 7.607 5.821 1.00 0.34 C ATOM 2715 C LEU B 81 10.954 8.704 5.470 1.00 0.36 C ATOM 2716 O LEU B 81 10.996 9.180 4.327 1.00 0.46 O ATOM 2717 CB LEU B 81 10.343 6.300 5.120 1.00 0.44 C ATOM 2718 CG LEU B 81 9.985 5.016 5.872 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.481 4.872 6.019 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.571 3.807 5.158 1.00 0.78 C ATOM 0 H LEU B 81 8.493 8.115 4.421 1.00 0.30 H new ATOM 0 HA LEU B 81 9.972 7.435 6.897 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.859 6.275 4.144 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.418 6.308 4.942 1.00 0.44 H new ATOM 0 HG LEU B 81 10.415 5.074 6.872 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.254 3.951 6.557 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.087 5.723 6.574 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.021 4.838 5.032 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.309 2.900 5.703 1.00 0.78 H new ATOM 0 HD22 LEU B 81 10.169 3.751 4.147 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.656 3.902 5.112 1.00 0.78 H new ATOM 2732 N LYS B 82 11.751 9.110 6.441 1.00 0.39 N ATOM 2733 CA LYS B 82 12.724 10.161 6.224 1.00 0.47 C ATOM 2734 C LYS B 82 13.997 9.882 7.017 1.00 0.49 C ATOM 2735 O LYS B 82 14.415 8.732 7.150 1.00 0.63 O ATOM 2736 CB LYS B 82 12.130 11.527 6.602 1.00 0.54 C ATOM 2737 CG LYS B 82 12.671 12.677 5.763 1.00 0.94 C ATOM 2738 CD LYS B 82 12.044 14.010 6.141 1.00 1.01 C ATOM 2739 CE LYS B 82 10.683 14.200 5.485 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.229 15.615 5.544 1.00 1.35 N ATOM 0 H LYS B 82 11.743 8.727 7.386 1.00 0.39 H new ATOM 0 HA LYS B 82 12.983 10.184 5.165 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.046 11.486 6.492 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.337 11.726 7.654 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.752 12.738 5.888 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.483 12.475 4.709 1.00 0.94 H new ATOM 0 HD2 LYS B 82 11.937 14.067 7.224 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.708 14.822 5.843 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.734 13.879 4.445 1.00 1.22 H new ATOM 0 HE3 LYS B 82 9.950 13.563 5.980 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.299 15.701 5.087 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.155 15.915 6.537 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.915 16.221 5.050 1.00 1.35 H new ATOM 2754 N ASP B 83 14.605 10.934 7.544 1.00 0.60 N ATOM 2755 CA ASP B 83 15.839 10.805 8.308 1.00 0.68 C ATOM 2756 C ASP B 83 15.558 10.624 9.791 1.00 0.68 C ATOM 2757 O ASP B 83 16.472 10.363 10.573 1.00 0.89 O ATOM 2758 CB ASP B 83 16.726 12.031 8.085 1.00 0.88 C ATOM 2759 CG ASP B 83 17.331 12.053 6.698 1.00 1.20 C ATOM 2760 OD1 ASP B 83 18.379 11.405 6.498 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.757 12.712 5.801 1.00 1.52 O ATOM 0 H ASP B 83 14.263 11.891 7.457 1.00 0.60 H new ATOM 0 HA ASP B 83 16.361 9.915 7.956 1.00 0.68 H new ATOM 0 HB2 ASP B 83 16.138 12.936 8.237 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.524 12.040 8.828 1.00 0.88 H new ATOM 2766 N GLN B 84 14.297 10.753 10.176 1.00 0.60 N ATOM 2767 CA GLN B 84 13.909 10.598 11.574 1.00 0.67 C ATOM 2768 C GLN B 84 13.834 9.121 11.941 1.00 0.61 C ATOM 2769 O GLN B 84 14.139 8.732 13.068 1.00 0.81 O ATOM 2770 CB GLN B 84 12.562 11.277 11.832 1.00 0.77 C ATOM 2771 CG GLN B 84 12.571 12.764 11.528 1.00 0.93 C ATOM 2772 CD GLN B 84 11.204 13.405 11.668 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.395 13.003 12.503 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.940 14.407 10.849 1.00 1.28 N ATOM 0 H GLN B 84 13.525 10.964 9.543 1.00 0.60 H new ATOM 0 HA GLN B 84 14.664 11.075 12.198 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.797 10.794 11.224 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.282 11.128 12.875 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.270 13.262 12.199 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.937 12.920 10.513 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.639 14.709 10.171 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.037 14.879 10.895 1.00 1.28 H new ATOM 2783 N ASP B 85 13.434 8.307 10.976 1.00 0.52 N ATOM 2784 CA ASP B 85 13.319 6.870 11.172 1.00 0.51 C ATOM 2785 C ASP B 85 14.398 6.150 10.365 1.00 0.44 C ATOM 2786 O ASP B 85 15.186 6.788 9.664 1.00 0.48 O ATOM 2787 CB ASP B 85 11.926 6.385 10.754 1.00 0.61 C ATOM 2788 CG ASP B 85 11.686 6.520 9.264 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.844 7.644 8.732 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.343 5.504 8.622 1.00 0.86 O ATOM 0 H ASP B 85 13.181 8.622 10.039 1.00 0.52 H new ATOM 0 HA ASP B 85 13.458 6.644 12.229 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.806 5.341 11.045 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.170 6.955 11.293 1.00 0.61 H new ATOM 2795 N THR B 86 14.442 4.830 10.471 1.00 0.49 N ATOM 2796 CA THR B 86 15.431 4.042 9.748 1.00 0.47 C ATOM 2797 C THR B 86 14.748 3.013 8.849 1.00 0.42 C ATOM 2798 O THR B 86 13.976 2.175 9.323 1.00 0.41 O ATOM 2799 CB THR B 86 16.385 3.330 10.724 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.607 4.156 11.877 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.716 3.026 10.053 1.00 0.67 C ATOM 0 H THR B 86 13.805 4.282 11.050 1.00 0.49 H new ATOM 0 HA THR B 86 16.011 4.724 9.127 1.00 0.47 H new ATOM 0 HB THR B 86 15.925 2.390 11.029 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.213 3.698 12.496 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.374 2.523 10.761 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.550 2.380 9.191 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.179 3.957 9.725 1.00 0.67 H new ATOM 2809 N LEU B 87 15.034 3.095 7.553 1.00 0.43 N ATOM 2810 CA LEU B 87 14.459 2.202 6.546 1.00 0.42 C ATOM 2811 C LEU B 87 14.641 0.727 6.905 1.00 0.42 C ATOM 2812 O LEU B 87 13.697 -0.055 6.830 1.00 0.44 O ATOM 2813 CB LEU B 87 15.098 2.479 5.180 1.00 0.51 C ATOM 2814 CG LEU B 87 14.582 1.611 4.031 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.521 2.352 3.232 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.731 1.183 3.132 1.00 0.66 C ATOM 0 H LEU B 87 15.676 3.787 7.167 1.00 0.43 H new ATOM 0 HA LEU B 87 13.388 2.403 6.509 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.933 3.526 4.925 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.175 2.337 5.265 1.00 0.51 H new ATOM 0 HG LEU B 87 14.125 0.717 4.454 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.168 1.717 2.420 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.685 2.606 3.884 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.949 3.265 2.819 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.347 0.566 2.320 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.218 2.066 2.718 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.453 0.609 3.713 1.00 0.66 H new ATOM 2828 N ILE B 88 15.849 0.357 7.312 1.00 0.47 N ATOM 2829 CA ILE B 88 16.155 -1.034 7.651 1.00 0.53 C ATOM 2830 C ILE B 88 15.542 -1.467 8.983 1.00 0.54 C ATOM 2831 O ILE B 88 15.609 -2.640 9.352 1.00 0.66 O ATOM 2832 CB ILE B 88 17.681 -1.274 7.705 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.355 -0.291 8.668 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.285 -1.150 6.315 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.696 -0.890 10.017 1.00 0.91 C ATOM 0 H ILE B 88 16.635 0.998 7.417 1.00 0.47 H new ATOM 0 HA ILE B 88 15.711 -1.636 6.858 1.00 0.53 H new ATOM 0 HB ILE B 88 17.854 -2.285 8.074 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.268 0.085 8.207 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.697 0.565 8.817 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.360 -1.322 6.369 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.832 -1.889 5.654 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.096 -0.150 5.924 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.170 -0.133 10.642 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.784 -1.241 10.500 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.380 -1.728 9.881 1.00 0.91 H new ATOM 2847 N GLN B 89 14.940 -0.532 9.697 1.00 0.48 N ATOM 2848 CA GLN B 89 14.351 -0.838 10.991 1.00 0.53 C ATOM 2849 C GLN B 89 12.852 -1.102 10.882 1.00 0.52 C ATOM 2850 O GLN B 89 12.331 -2.022 11.515 1.00 0.71 O ATOM 2851 CB GLN B 89 14.616 0.309 11.970 1.00 0.57 C ATOM 2852 CG GLN B 89 14.096 0.054 13.378 1.00 0.69 C ATOM 2853 CD GLN B 89 14.719 -1.166 14.023 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.775 -1.083 14.656 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.075 -2.313 13.863 1.00 0.89 N ATOM 0 H GLN B 89 14.846 0.441 9.406 1.00 0.48 H new ATOM 0 HA GLN B 89 14.819 -1.749 11.364 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.690 0.492 12.018 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.155 1.218 11.583 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.295 0.928 13.998 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.014 -0.072 13.343 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.204 -2.339 13.332 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.450 -3.170 14.270 1.00 0.89 H new ATOM 2864 N HIS B 90 12.164 -0.312 10.074 1.00 0.49 N ATOM 2865 CA HIS B 90 10.721 -0.469 9.936 1.00 0.51 C ATOM 2866 C HIS B 90 10.301 -0.697 8.486 1.00 0.50 C ATOM 2867 O HIS B 90 9.646 -1.692 8.184 1.00 0.75 O ATOM 2868 CB HIS B 90 10.014 0.768 10.502 1.00 0.59 C ATOM 2869 CG HIS B 90 8.537 0.602 10.684 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.622 1.567 10.316 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.817 -0.413 11.218 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.404 1.149 10.610 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.495 -0.047 11.158 1.00 1.10 N ATOM 0 H HIS B 90 12.571 0.434 9.510 1.00 0.49 H new ATOM 0 HA HIS B 90 10.428 -1.355 10.499 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.461 1.020 11.464 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.194 1.612 9.836 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.209 -1.337 11.616 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.489 1.694 10.432 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.710 -0.610 11.485 1.00 1.10 H new ATOM 2882 N GLY B 91 10.683 0.224 7.608 1.00 0.45 N ATOM 2883 CA GLY B 91 10.324 0.147 6.199 1.00 0.46 C ATOM 2884 C GLY B 91 10.631 -1.186 5.540 1.00 0.45 C ATOM 2885 O GLY B 91 9.724 -1.966 5.249 1.00 0.64 O ATOM 0 H GLY B 91 11.246 1.039 7.852 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.258 0.350 6.098 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.851 0.934 5.660 1.00 0.46 H new ATOM 2889 N ILE B 92 11.903 -1.461 5.314 1.00 0.38 N ATOM 2890 CA ILE B 92 12.298 -2.694 4.656 1.00 0.39 C ATOM 2891 C ILE B 92 12.921 -3.671 5.643 1.00 0.41 C ATOM 2892 O ILE B 92 14.011 -3.434 6.173 1.00 0.46 O ATOM 2893 CB ILE B 92 13.289 -2.432 3.501 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.751 -1.344 2.562 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.559 -3.717 2.728 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.462 -1.718 1.860 1.00 0.43 C ATOM 0 H ILE B 92 12.677 -0.850 5.575 1.00 0.38 H new ATOM 0 HA ILE B 92 11.390 -3.133 4.244 1.00 0.39 H new ATOM 0 HB ILE B 92 14.228 -2.082 3.929 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.589 -0.431 3.135 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.509 -1.119 1.812 1.00 0.40 H new ATOM 0 HG21 ILE B 92 14.259 -3.514 1.918 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.986 -4.462 3.399 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.625 -4.095 2.314 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.147 -0.897 1.215 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.622 -2.612 1.257 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.688 -1.914 2.602 1.00 0.43 H new ATOM 2908 N HIS B 93 12.218 -4.765 5.893 1.00 0.46 N ATOM 2909 CA HIS B 93 12.698 -5.792 6.802 1.00 0.52 C ATOM 2910 C HIS B 93 13.543 -6.805 6.034 1.00 0.54 C ATOM 2911 O HIS B 93 14.529 -7.328 6.547 1.00 0.66 O ATOM 2912 CB HIS B 93 11.521 -6.488 7.494 1.00 0.58 C ATOM 2913 CG HIS B 93 11.079 -5.818 8.764 1.00 0.65 C ATOM 2914 ND1 HIS B 93 10.421 -4.601 8.797 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.201 -6.206 10.057 1.00 1.25 C ATOM 2916 CE1 HIS B 93 10.169 -4.275 10.052 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.629 -5.231 10.832 1.00 1.10 N ATOM 0 H HIS B 93 11.309 -4.964 5.476 1.00 0.46 H new ATOM 0 HA HIS B 93 13.316 -5.326 7.570 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.678 -6.528 6.804 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.800 -7.518 7.716 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.664 -7.115 10.411 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.670 -3.376 10.383 1.00 1.14 H new ATOM 0 HE2 HIS B 93 10.569 -5.244 11.850 1.00 1.10 H new ATOM 2926 N ASP B 94 13.142 -7.064 4.794 1.00 0.58 N ATOM 2927 CA ASP B 94 13.852 -8.002 3.924 1.00 0.63 C ATOM 2928 C ASP B 94 13.605 -7.648 2.460 1.00 0.78 C ATOM 2929 O ASP B 94 14.539 -7.585 1.657 1.00 1.65 O ATOM 2930 CB ASP B 94 13.405 -9.442 4.193 1.00 0.67 C ATOM 2931 CG ASP B 94 13.991 -10.428 3.196 1.00 0.79 C ATOM 2932 OD1 ASP B 94 15.171 -10.814 3.348 1.00 0.92 O ATOM 2933 OD2 ASP B 94 13.275 -10.831 2.255 1.00 1.08 O ATOM 0 H ASP B 94 12.323 -6.635 4.364 1.00 0.58 H new ATOM 0 HA ASP B 94 14.918 -7.926 4.139 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.703 -9.729 5.201 1.00 0.67 H new ATOM 0 HB3 ASP B 94 12.317 -9.495 4.155 1.00 0.67 H new ATOM 2938 N GLY B 95 12.342 -7.420 2.127 1.00 0.57 N ATOM 2939 CA GLY B 95 11.973 -7.064 0.770 1.00 0.52 C ATOM 2940 C GLY B 95 10.551 -6.554 0.705 1.00 0.46 C ATOM 2941 O GLY B 95 9.606 -7.322 0.886 1.00 0.53 O ATOM 0 H GLY B 95 11.559 -7.476 2.779 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.653 -6.300 0.394 1.00 0.52 H new ATOM 0 HA3 GLY B 95 12.080 -7.933 0.121 1.00 0.52 H new ATOM 2945 N LEU B 96 10.387 -5.259 0.462 1.00 0.41 N ATOM 2946 CA LEU B 96 9.059 -4.664 0.394 1.00 0.40 C ATOM 2947 C LEU B 96 9.021 -3.510 -0.597 1.00 0.37 C ATOM 2948 O LEU B 96 10.058 -3.072 -1.096 1.00 0.41 O ATOM 2949 CB LEU B 96 8.610 -4.179 1.774 1.00 0.44 C ATOM 2950 CG LEU B 96 7.741 -5.165 2.557 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.572 -4.705 3.996 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.383 -5.337 1.888 1.00 0.70 C ATOM 0 H LEU B 96 11.154 -4.604 0.309 1.00 0.41 H new ATOM 0 HA LEU B 96 8.372 -5.437 0.050 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.495 -3.949 2.367 1.00 0.44 H new ATOM 0 HB3 LEU B 96 8.057 -3.248 1.652 1.00 0.44 H new ATOM 0 HG LEU B 96 8.244 -6.132 2.562 1.00 0.53 H new ATOM 0 HD11 LEU B 96 6.951 -5.420 4.536 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.549 -4.640 4.474 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.094 -3.725 4.011 1.00 0.58 H new ATOM 0 HD21 LEU B 96 5.782 -6.042 2.462 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.873 -4.375 1.847 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.522 -5.717 0.876 1.00 0.70 H new ATOM 2964 N THR B 97 7.820 -3.021 -0.863 1.00 0.39 N ATOM 2965 CA THR B 97 7.619 -1.928 -1.798 1.00 0.39 C ATOM 2966 C THR B 97 7.368 -0.611 -1.069 1.00 0.37 C ATOM 2967 O THR B 97 6.505 -0.530 -0.197 1.00 0.46 O ATOM 2968 CB THR B 97 6.419 -2.226 -2.717 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.860 -3.503 -2.372 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.832 -2.231 -4.178 1.00 0.78 C ATOM 0 H THR B 97 6.961 -3.370 -0.438 1.00 0.39 H new ATOM 0 HA THR B 97 8.529 -1.834 -2.391 1.00 0.39 H new ATOM 0 HB THR B 97 5.676 -1.441 -2.576 1.00 0.46 H new ATOM 0 HG1 THR B 97 5.095 -3.374 -1.773 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.963 -2.444 -4.801 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.239 -1.256 -4.444 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.591 -2.997 -4.339 1.00 0.78 H new ATOM 2978 N VAL B 98 8.133 0.409 -1.423 1.00 0.33 N ATOM 2979 CA VAL B 98 7.983 1.725 -0.826 1.00 0.31 C ATOM 2980 C VAL B 98 7.628 2.738 -1.901 1.00 0.30 C ATOM 2981 O VAL B 98 8.021 2.585 -3.057 1.00 0.36 O ATOM 2982 CB VAL B 98 9.260 2.185 -0.090 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.373 1.495 1.260 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.500 1.919 -0.932 1.00 0.34 C ATOM 0 H VAL B 98 8.869 0.349 -2.126 1.00 0.33 H new ATOM 0 HA VAL B 98 7.183 1.657 -0.089 1.00 0.31 H new ATOM 0 HB VAL B 98 9.188 3.260 0.075 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.279 1.831 1.765 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.504 1.743 1.869 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.418 0.416 1.114 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.386 2.252 -0.391 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.579 0.851 -1.136 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.424 2.463 -1.873 1.00 0.34 H new ATOM 2994 N HIS B 99 6.876 3.761 -1.537 1.00 0.29 N ATOM 2995 CA HIS B 99 6.475 4.782 -2.497 1.00 0.31 C ATOM 2996 C HIS B 99 7.420 5.970 -2.458 1.00 0.30 C ATOM 2997 O HIS B 99 7.992 6.282 -1.418 1.00 0.47 O ATOM 2998 CB HIS B 99 5.051 5.249 -2.210 1.00 0.38 C ATOM 2999 CG HIS B 99 4.188 5.306 -3.425 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.249 4.346 -3.711 1.00 0.68 N ATOM 3001 CD2 HIS B 99 4.109 6.218 -4.424 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.632 4.657 -4.829 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.130 5.788 -5.281 1.00 0.81 N ATOM 0 H HIS B 99 6.530 3.910 -0.589 1.00 0.29 H new ATOM 0 HA HIS B 99 6.516 4.339 -3.492 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.596 4.577 -1.482 1.00 0.38 H new ATOM 0 HB3 HIS B 99 5.086 6.238 -1.752 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.704 7.113 -4.526 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.848 4.081 -5.298 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.835 6.267 -6.132 1.00 0.81 H new ATOM 3012 N LEU B 100 7.587 6.623 -3.595 1.00 0.31 N ATOM 3013 CA LEU B 100 8.455 7.785 -3.684 1.00 0.32 C ATOM 3014 C LEU B 100 7.630 9.043 -3.926 1.00 0.32 C ATOM 3015 O LEU B 100 7.038 9.208 -4.993 1.00 0.40 O ATOM 3016 CB LEU B 100 9.467 7.601 -4.816 1.00 0.37 C ATOM 3017 CG LEU B 100 10.683 8.527 -4.759 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.626 8.098 -3.645 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.401 8.547 -6.102 1.00 0.91 C ATOM 0 H LEU B 100 7.132 6.368 -4.471 1.00 0.31 H new ATOM 0 HA LEU B 100 8.992 7.891 -2.741 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.816 6.568 -4.806 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.957 7.756 -5.767 1.00 0.37 H new ATOM 0 HG LEU B 100 10.340 9.539 -4.543 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.486 8.767 -3.618 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.103 8.140 -2.689 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.965 7.078 -3.828 1.00 0.85 H new ATOM 0 HD21 LEU B 100 12.264 9.211 -6.044 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.735 7.540 -6.351 1.00 0.91 H new ATOM 0 HD23 LEU B 100 10.719 8.905 -6.874 1.00 0.91 H new ATOM 3031 N VAL B 101 7.576 9.918 -2.929 1.00 0.30 N ATOM 3032 CA VAL B 101 6.822 11.161 -3.050 1.00 0.32 C ATOM 3033 C VAL B 101 7.735 12.366 -2.853 1.00 0.33 C ATOM 3034 O VAL B 101 8.911 12.217 -2.511 1.00 0.38 O ATOM 3035 CB VAL B 101 5.652 11.233 -2.041 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.669 10.097 -2.275 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.161 11.217 -0.607 1.00 0.52 C ATOM 0 H VAL B 101 8.043 9.791 -2.031 1.00 0.30 H new ATOM 0 HA VAL B 101 6.404 11.179 -4.056 1.00 0.32 H new ATOM 0 HB VAL B 101 5.131 12.177 -2.201 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.854 10.167 -1.554 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.267 10.166 -3.286 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.181 9.142 -2.153 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.316 11.269 0.080 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.718 10.297 -0.429 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.814 12.074 -0.443 1.00 0.52 H new ATOM 3047 N ILE B 102 7.190 13.558 -3.058 1.00 0.36 N ATOM 3048 CA ILE B 102 7.957 14.783 -2.912 1.00 0.41 C ATOM 3049 C ILE B 102 7.250 15.737 -1.957 1.00 0.51 C ATOM 3050 O ILE B 102 6.534 16.648 -2.376 1.00 0.79 O ATOM 3051 CB ILE B 102 8.205 15.488 -4.271 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.935 15.484 -5.149 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.380 14.842 -4.998 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.800 14.280 -6.064 1.00 1.32 C ATOM 0 H ILE B 102 6.216 13.700 -3.327 1.00 0.36 H new ATOM 0 HA ILE B 102 8.929 14.506 -2.503 1.00 0.41 H new ATOM 0 HB ILE B 102 8.456 16.530 -4.071 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.061 15.530 -4.500 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.928 16.388 -5.757 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.541 15.348 -5.950 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.278 14.926 -4.385 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.162 13.790 -5.179 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.879 14.363 -6.642 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.652 14.242 -6.743 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.772 13.369 -5.465 1.00 1.32 H new ATOM 3066 N LYS B 103 7.438 15.508 -0.670 1.00 0.59 N ATOM 3067 CA LYS B 103 6.814 16.334 0.345 1.00 0.76 C ATOM 3068 C LYS B 103 7.873 17.035 1.183 1.00 0.91 C ATOM 3069 O LYS B 103 8.414 16.408 2.120 1.00 1.07 O ATOM 3070 CB LYS B 103 5.900 15.486 1.234 1.00 0.86 C ATOM 3071 CG LYS B 103 4.716 14.886 0.487 1.00 1.00 C ATOM 3072 CD LYS B 103 3.688 15.947 0.131 1.00 1.15 C ATOM 3073 CE LYS B 103 2.740 15.468 -0.957 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.699 16.480 -1.277 1.00 1.74 N ATOM 3075 OXT LYS B 103 8.163 18.214 0.899 1.00 1.20 O ATOM 0 H LYS B 103 8.020 14.755 -0.303 1.00 0.59 H new ATOM 0 HA LYS B 103 6.208 17.093 -0.149 1.00 0.76 H new ATOM 0 HB2 LYS B 103 6.484 14.681 1.680 1.00 0.86 H new ATOM 0 HB3 LYS B 103 5.529 16.102 2.053 1.00 0.86 H new ATOM 0 HG2 LYS B 103 5.067 14.398 -0.422 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.249 14.116 1.101 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.117 16.213 1.020 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.198 16.851 -0.203 1.00 1.15 H new ATOM 0 HE2 LYS B 103 3.309 15.237 -1.857 1.00 1.32 H new ATOM 0 HE3 LYS B 103 2.260 14.543 -0.637 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.335 16.312 -2.236 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 0.920 16.405 -0.592 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 2.114 17.432 -1.226 1.00 1.74 H new