USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1516 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 6 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.569) USER MOD Set 1.2: B 12 THR OG1 : rot 180:sc= 0.055 USER MOD Set 2.1: A 121 CYS SG : rot -20:sc= 0.0623 USER MOD Set 2.2: A 125 ASN : amide:sc= 0.746 K(o=0.81,f=-0.84) USER MOD Set 3.1: A 116 GLN : amide:sc= 0 X(o=1.1,f=0.59) USER MOD Set 3.2: A 120 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4.9!) USER MOD Set 4.1: A 66 SER OG : rot -75:sc= 1.97 USER MOD Set 4.2: A 68 THR OG1 : rot 87:sc= 0.809 USER MOD Set 5.1: A 52 THR OG1 : rot 92:sc= 1.36 USER MOD Set 5.2: A 58 HIS : no HD1:sc= 0 X(o=1.4,f=1.3) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 2.45 (180deg=2.45) 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 -40:sc= 0.749 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 55 SER OG : rot -146:sc= 0.966 USER MOD Single : A 60 CYS SG : rot -101:sc= -0.0219 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 80 CYS SG : rot -8:sc= -1.84 USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.07) USER MOD Single : A 87 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.51) USER MOD Single : A 88 CYS SG : rot -130:sc= -3.4! USER MOD Single : A 90 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 94 TYR OH : rot -172:sc= 1.19 USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.923) USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.11) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 123 LYS NZ :NH3+ -142:sc= -0.136 (180deg=-0.693) USER MOD Single : A 127 CYS SG : rot 70:sc= 1.25 USER MOD Single : A 129 ASN :FLIP amide:sc= 0.0724 F(o=-0.68,f=0.072) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : B 1 MET CE :methyl -169:sc=-0.00565 (180deg=-0.149) USER MOD Single : B 1 MET N :NH3+ 158:sc= 1.28 (180deg=0.938) USER MOD Single : B 2 GLN : amide:sc= 0.973 K(o=0.97,f=-2.3) USER MOD Single : B 7 THR OG1 : rot -160:sc= -1.02 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.159 USER MOD Single : B 11 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.12) USER MOD Single : B 14 THR OG1 : rot -85:sc= 0.632 USER MOD Single : B 20 SER OG : rot 86:sc= 0.0626 USER MOD Single : B 22 THR OG1 : rot -82:sc= 0.0762 USER MOD Single : B 25 ASN : amide:sc= 1.01 K(o=1,f=-0.87) USER MOD Single : B 27 LYS NZ :NH3+ 146:sc= 1.09 (180deg=0.515) USER MOD Single : B 29 LYS NZ :NH3+ -140:sc= -0.116 (180deg=-0.569) USER MOD Single : B 31 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.3) USER MOD Single : B 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.108) USER MOD Single : B 40 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 41 GLN : amide:sc= -1.22 K(o=-1.2,f=-9.5!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.557 F(o=-4!,f=-0.56) USER MOD Single : B 55 THR OG1 : rot 76:sc= 1.23 USER MOD Single : B 57 SER OG : rot -100:sc= 1.24 USER MOD Single : B 59 TYR OH : rot 70:sc= 0.857 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 121:sc= 0.875 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : +bothHN:sc= -2.17! C(o=-2.2!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 12.157 -7.397 -8.957 1.00 45.61 N ATOM 2 CA TYR A 22 11.249 -6.724 -7.998 1.00 43.51 C ATOM 3 C TYR A 22 11.709 -6.999 -6.573 1.00 43.60 C ATOM 4 O TYR A 22 12.708 -7.682 -6.363 1.00 44.61 O ATOM 5 CB TYR A 22 9.809 -7.222 -8.175 1.00 47.56 C ATOM 6 CG TYR A 22 9.296 -7.146 -9.596 1.00 46.63 C ATOM 7 CD1 TYR A 22 9.410 -5.976 -10.336 1.00 50.27 C ATOM 8 CD2 TYR A 22 8.693 -8.245 -10.195 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.936 -5.904 -11.632 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.214 -8.180 -11.488 1.00 48.24 C ATOM 11 CZ TYR A 22 8.338 -7.007 -12.202 1.00 52.62 C ATOM 12 OH TYR A 22 7.862 -6.941 -13.493 1.00 54.99 O ATOM 0 HA TYR A 22 11.276 -5.652 -8.192 1.00 43.51 H new ATOM 0 HB2 TYR A 22 9.750 -8.256 -7.834 1.00 47.56 H new ATOM 0 HB3 TYR A 22 9.152 -6.636 -7.532 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.876 -5.109 -9.892 1.00 50.27 H new ATOM 0 HD2 TYR A 22 8.597 -9.166 -9.639 1.00 46.46 H new ATOM 0 HE1 TYR A 22 9.034 -4.988 -12.195 1.00 50.44 H new ATOM 0 HE2 TYR A 22 7.745 -9.043 -11.938 1.00 48.24 H new ATOM 0 HH TYR A 22 7.471 -7.805 -13.742 1.00 54.99 H new ATOM 24 N LEU A 23 10.987 -6.460 -5.599 1.00 31.65 N ATOM 25 CA LEU A 23 11.327 -6.672 -4.198 1.00 32.60 C ATOM 26 C LEU A 23 10.697 -7.966 -3.688 1.00 33.92 C ATOM 27 O LEU A 23 11.372 -8.824 -3.120 1.00 33.21 O ATOM 28 CB LEU A 23 10.845 -5.499 -3.347 1.00 31.36 C ATOM 29 CG LEU A 23 11.534 -4.162 -3.622 1.00 32.85 C ATOM 30 CD1 LEU A 23 10.879 -3.053 -2.819 1.00 37.08 C ATOM 31 CD2 LEU A 23 13.016 -4.242 -3.292 1.00 41.11 C ATOM 0 H LEU A 23 10.166 -5.875 -5.752 1.00 31.65 H new ATOM 0 HA LEU A 23 12.412 -6.747 -4.119 1.00 32.60 H new ATOM 0 HB2 LEU A 23 9.773 -5.375 -3.503 1.00 31.36 H new ATOM 0 HB3 LEU A 23 10.987 -5.752 -2.296 1.00 31.36 H new ATOM 0 HG LEU A 23 11.428 -3.937 -4.683 1.00 32.85 H new ATOM 0 HD11 LEU A 23 11.381 -2.108 -3.026 1.00 37.08 H new ATOM 0 HD12 LEU A 23 9.828 -2.974 -3.098 1.00 37.08 H new ATOM 0 HD13 LEU A 23 10.956 -3.279 -1.756 1.00 37.08 H new ATOM 0 HD21 LEU A 23 13.486 -3.280 -3.495 1.00 41.11 H new ATOM 0 HD22 LEU A 23 13.141 -4.492 -2.238 1.00 41.11 H new ATOM 0 HD23 LEU A 23 13.484 -5.012 -3.906 1.00 41.11 H new ATOM 43 N VAL A 24 9.394 -8.089 -3.894 1.00 28.03 N ATOM 44 CA VAL A 24 8.647 -9.265 -3.469 1.00 29.15 C ATOM 45 C VAL A 24 7.814 -9.775 -4.640 1.00 22.96 C ATOM 46 O VAL A 24 7.317 -8.973 -5.428 1.00 24.25 O ATOM 47 CB VAL A 24 7.715 -8.940 -2.276 1.00 32.80 C ATOM 48 CG1 VAL A 24 6.998 -10.187 -1.780 1.00 42.00 C ATOM 49 CG2 VAL A 24 8.497 -8.294 -1.143 1.00 41.63 C ATOM 0 H VAL A 24 8.826 -7.380 -4.358 1.00 28.03 H new ATOM 0 HA VAL A 24 9.356 -10.027 -3.146 1.00 29.15 H new ATOM 0 HB VAL A 24 6.962 -8.234 -2.627 1.00 32.80 H new ATOM 0 HG11 VAL A 24 6.351 -9.926 -0.942 1.00 42.00 H new ATOM 0 HG12 VAL A 24 6.396 -10.606 -2.586 1.00 42.00 H new ATOM 0 HG13 VAL A 24 7.732 -10.924 -1.455 1.00 42.00 H new ATOM 0 HG21 VAL A 24 7.823 -8.074 -0.315 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.277 -8.976 -0.804 1.00 41.63 H new ATOM 0 HG23 VAL A 24 8.952 -7.369 -1.496 1.00 41.63 H new ATOM 59 N GLU A 25 7.692 -11.092 -4.771 1.00 24.89 N ATOM 60 CA GLU A 25 6.912 -11.693 -5.850 1.00 23.60 C ATOM 61 C GLU A 25 6.477 -13.110 -5.480 1.00 24.58 C ATOM 62 O GLU A 25 7.309 -13.966 -5.167 1.00 25.27 O ATOM 63 CB GLU A 25 7.720 -11.718 -7.153 1.00 29.00 C ATOM 64 CG GLU A 25 9.087 -12.366 -7.023 1.00 33.54 C ATOM 65 CD GLU A 25 9.666 -12.782 -8.358 1.00 42.16 C ATOM 66 OE1 GLU A 25 8.959 -13.457 -9.136 1.00 53.32 O ATOM 67 OE2 GLU A 25 10.835 -12.444 -8.634 1.00 44.93 O ATOM 0 H GLU A 25 8.125 -11.767 -4.141 1.00 24.89 H new ATOM 0 HA GLU A 25 6.022 -11.082 -6.000 1.00 23.60 H new ATOM 0 HB2 GLU A 25 7.148 -12.251 -7.912 1.00 29.00 H new ATOM 0 HB3 GLU A 25 7.847 -10.696 -7.509 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.770 -11.669 -6.537 1.00 33.54 H new ATOM 0 HG3 GLU A 25 9.010 -13.240 -6.377 1.00 33.54 H new ATOM 74 N PHE A 26 5.174 -13.360 -5.511 1.00 22.47 N ATOM 75 CA PHE A 26 4.649 -14.679 -5.180 1.00 21.66 C ATOM 76 C PHE A 26 3.427 -15.015 -6.027 1.00 24.04 C ATOM 77 O PHE A 26 2.816 -14.130 -6.633 1.00 22.30 O ATOM 78 CB PHE A 26 4.308 -14.779 -3.686 1.00 23.47 C ATOM 79 CG PHE A 26 3.466 -13.649 -3.159 1.00 21.92 C ATOM 80 CD1 PHE A 26 2.085 -13.710 -3.217 1.00 22.79 C ATOM 81 CD2 PHE A 26 4.062 -12.535 -2.590 1.00 23.12 C ATOM 82 CE1 PHE A 26 1.311 -12.679 -2.720 1.00 25.76 C ATOM 83 CE2 PHE A 26 3.294 -11.501 -2.093 1.00 24.88 C ATOM 84 CZ PHE A 26 1.916 -11.574 -2.157 1.00 26.66 C ATOM 0 H PHE A 26 4.465 -12.671 -5.761 1.00 22.47 H new ATOM 0 HA PHE A 26 5.429 -15.407 -5.403 1.00 21.66 H new ATOM 0 HB2 PHE A 26 3.784 -15.718 -3.508 1.00 23.47 H new ATOM 0 HB3 PHE A 26 5.237 -14.819 -3.117 1.00 23.47 H new ATOM 0 HD1 PHE A 26 1.607 -14.573 -3.656 1.00 22.79 H new ATOM 0 HD2 PHE A 26 5.139 -12.475 -2.535 1.00 23.12 H new ATOM 0 HE1 PHE A 26 0.234 -12.738 -2.772 1.00 25.76 H new ATOM 0 HE2 PHE A 26 3.770 -10.636 -1.655 1.00 24.88 H new ATOM 0 HZ PHE A 26 1.313 -10.767 -1.767 1.00 26.66 H new ATOM 94 N ARG A 27 3.083 -16.296 -6.067 1.00 22.71 N ATOM 95 CA ARG A 27 1.938 -16.768 -6.836 1.00 22.16 C ATOM 96 C ARG A 27 0.660 -16.636 -6.023 1.00 22.93 C ATOM 97 O ARG A 27 0.503 -17.294 -4.991 1.00 23.03 O ATOM 98 CB ARG A 27 2.142 -18.233 -7.241 1.00 25.12 C ATOM 99 CG ARG A 27 3.478 -18.502 -7.914 1.00 24.95 C ATOM 100 CD ARG A 27 4.121 -19.768 -7.375 1.00 29.77 C ATOM 101 NE ARG A 27 5.402 -20.042 -8.022 1.00 40.26 N ATOM 102 CZ ARG A 27 6.479 -20.500 -7.389 1.00 43.84 C ATOM 103 NH1 ARG A 27 6.424 -20.799 -6.092 1.00 42.26 N ATOM 104 NH2 ARG A 27 7.608 -20.673 -8.060 1.00 53.40 N ATOM 0 H ARG A 27 3.585 -17.032 -5.571 1.00 22.71 H new ATOM 0 HA ARG A 27 1.850 -16.156 -7.733 1.00 22.16 H new ATOM 0 HB2 ARG A 27 2.060 -18.861 -6.354 1.00 25.12 H new ATOM 0 HB3 ARG A 27 1.339 -18.529 -7.916 1.00 25.12 H new ATOM 0 HG2 ARG A 27 3.334 -18.595 -8.990 1.00 24.95 H new ATOM 0 HG3 ARG A 27 4.146 -17.655 -7.754 1.00 24.95 H new ATOM 0 HD2 ARG A 27 4.270 -19.671 -6.300 1.00 29.77 H new ATOM 0 HD3 ARG A 27 3.448 -20.612 -7.529 1.00 29.77 H new ATOM 0 HE ARG A 27 5.476 -19.871 -9.025 1.00 40.26 H new ATOM 0 HH11 ARG A 27 5.552 -20.677 -5.577 1.00 42.26 H new ATOM 0 HH12 ARG A 27 7.254 -21.150 -5.614 1.00 42.26 H new ATOM 0 HH21 ARG A 27 7.648 -20.455 -9.056 1.00 53.40 H new ATOM 0 HH22 ARG A 27 8.437 -21.024 -7.581 1.00 53.40 H new ATOM 118 N ALA A 28 -0.249 -15.792 -6.484 1.00 21.69 N ATOM 119 CA ALA A 28 -1.511 -15.582 -5.794 1.00 21.30 C ATOM 120 C ALA A 28 -2.603 -15.193 -6.777 1.00 21.54 C ATOM 121 O ALA A 28 -2.374 -14.412 -7.706 1.00 22.17 O ATOM 122 CB ALA A 28 -1.361 -14.518 -4.718 1.00 23.20 C ATOM 0 H ALA A 28 -0.136 -15.240 -7.335 1.00 21.69 H new ATOM 0 HA ALA A 28 -1.798 -16.519 -5.316 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -2.316 -14.375 -4.212 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.611 -14.836 -3.994 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -1.048 -13.579 -5.176 1.00 23.20 H new ATOM 128 N GLY A 29 -3.785 -15.751 -6.575 1.00 21.31 N ATOM 129 CA GLY A 29 -4.902 -15.450 -7.439 1.00 23.36 C ATOM 130 C GLY A 29 -5.679 -14.252 -6.944 1.00 24.59 C ATOM 131 O GLY A 29 -5.824 -14.061 -5.734 1.00 24.46 O ATOM 0 H GLY A 29 -3.990 -16.410 -5.824 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.540 -15.258 -8.449 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.563 -16.315 -7.496 1.00 23.36 H new ATOM 135 N LYS A 30 -6.172 -13.442 -7.868 1.00 23.00 N ATOM 136 CA LYS A 30 -6.932 -12.254 -7.508 1.00 21.15 C ATOM 137 C LYS A 30 -8.409 -12.581 -7.332 1.00 23.64 C ATOM 138 O LYS A 30 -8.843 -13.711 -7.568 1.00 24.84 O ATOM 139 CB LYS A 30 -6.759 -11.166 -8.573 1.00 23.49 C ATOM 140 CG LYS A 30 -7.335 -11.534 -9.934 1.00 27.46 C ATOM 141 CD LYS A 30 -7.173 -10.400 -10.935 1.00 31.74 C ATOM 142 CE LYS A 30 -8.189 -9.291 -10.707 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.789 -8.035 -11.395 1.00 36.43 N ATOM 0 H LYS A 30 -6.060 -13.585 -8.872 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.547 -11.885 -6.557 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -7.236 -10.251 -8.223 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.697 -10.948 -8.686 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -6.837 -12.427 -10.311 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.392 -11.779 -9.828 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -6.166 -9.990 -10.859 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -7.283 -10.791 -11.947 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -9.166 -9.611 -11.070 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.292 -9.105 -9.638 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -8.503 -7.300 -11.219 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -6.868 -7.717 -11.030 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.715 -8.208 -12.418 1.00 36.43 H new ATOM 157 N MET A 31 -9.172 -11.583 -6.916 1.00 25.36 N ATOM 158 CA MET A 31 -10.603 -11.730 -6.713 1.00 27.00 C ATOM 159 C MET A 31 -11.309 -10.493 -7.250 1.00 27.82 C ATOM 160 O MET A 31 -10.821 -9.375 -7.085 1.00 32.62 O ATOM 161 CB MET A 31 -10.935 -11.931 -5.227 1.00 24.59 C ATOM 162 CG MET A 31 -10.231 -13.122 -4.589 1.00 24.61 C ATOM 163 SD MET A 31 -11.112 -13.778 -3.158 1.00 26.00 S ATOM 164 CE MET A 31 -9.946 -15.008 -2.576 1.00 24.15 C ATOM 0 H MET A 31 -8.817 -10.649 -6.710 1.00 25.36 H new ATOM 0 HA MET A 31 -10.947 -12.614 -7.249 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.666 -11.027 -4.680 1.00 24.59 H new ATOM 0 HB3 MET A 31 -12.012 -12.059 -5.120 1.00 24.59 H new ATOM 0 HG2 MET A 31 -10.118 -13.911 -5.332 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.227 -12.824 -4.286 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.349 -15.502 -1.692 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.776 -15.747 -3.359 1.00 24.15 H new ATOM 0 HE3 MET A 31 -9.003 -14.524 -2.322 1.00 24.15 H new ATOM 174 N SER A 32 -12.436 -10.692 -7.909 1.00 25.88 N ATOM 175 CA SER A 32 -13.185 -9.586 -8.474 1.00 31.55 C ATOM 176 C SER A 32 -14.531 -9.430 -7.780 1.00 35.12 C ATOM 177 O SER A 32 -15.161 -10.415 -7.391 1.00 33.62 O ATOM 178 CB SER A 32 -13.387 -9.803 -9.973 1.00 37.48 C ATOM 179 OG SER A 32 -12.144 -9.974 -10.630 1.00 45.53 O ATOM 0 H SER A 32 -12.852 -11.610 -8.066 1.00 25.88 H new ATOM 0 HA SER A 32 -12.614 -8.670 -8.319 1.00 31.55 H new ATOM 0 HB2 SER A 32 -14.013 -10.680 -10.137 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.915 -8.950 -10.400 1.00 37.48 H new ATOM 0 HG SER A 32 -12.297 -10.113 -11.588 1.00 45.53 H new ATOM 185 N LEU A 33 -14.967 -8.191 -7.624 1.00 42.07 N ATOM 186 CA LEU A 33 -16.237 -7.905 -6.982 1.00 44.29 C ATOM 187 C LEU A 33 -17.350 -7.896 -8.018 1.00 50.09 C ATOM 188 O LEU A 33 -17.639 -6.863 -8.624 1.00 52.46 O ATOM 189 CB LEU A 33 -16.181 -6.562 -6.252 1.00 46.72 C ATOM 190 CG LEU A 33 -16.056 -6.656 -4.732 1.00 51.34 C ATOM 191 CD1 LEU A 33 -15.673 -5.307 -4.150 1.00 57.04 C ATOM 192 CD2 LEU A 33 -17.362 -7.147 -4.124 1.00 54.38 C ATOM 0 H LEU A 33 -14.457 -7.364 -7.935 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.441 -8.685 -6.248 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -15.335 -5.992 -6.636 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -17.082 -5.997 -6.493 1.00 46.72 H new ATOM 0 HG LEU A 33 -15.271 -7.372 -4.490 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -15.588 -5.389 -3.066 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -14.717 -4.989 -4.566 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -16.439 -4.573 -4.399 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -17.258 -7.209 -3.041 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -18.163 -6.451 -4.373 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -17.601 -8.133 -4.523 1.00 54.38 H new ATOM 204 N LYS A 34 -17.953 -9.053 -8.235 1.00 52.69 N ATOM 205 CA LYS A 34 -19.029 -9.182 -9.202 1.00 53.15 C ATOM 206 C LYS A 34 -20.356 -8.824 -8.555 1.00 56.50 C ATOM 207 O LYS A 34 -20.934 -9.625 -7.815 1.00 56.84 O ATOM 208 CB LYS A 34 -19.077 -10.607 -9.756 1.00 2.00 C ATOM 209 CG LYS A 34 -19.878 -10.739 -11.041 1.00 2.00 C ATOM 210 CD LYS A 34 -20.064 -12.197 -11.430 1.00 2.00 C ATOM 211 CE LYS A 34 -21.097 -12.884 -10.553 1.00 2.00 C ATOM 212 NZ LYS A 34 -21.194 -14.337 -10.840 1.00 2.00 N ATOM 0 H LYS A 34 -17.714 -9.919 -7.752 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.843 -8.495 -10.028 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -18.059 -10.951 -9.937 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.507 -11.266 -9.002 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -20.852 -10.267 -10.914 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -19.369 -10.208 -11.845 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -20.373 -12.259 -12.473 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -19.111 -12.720 -11.348 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -20.837 -12.738 -9.505 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -22.070 -12.418 -10.707 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -21.910 -14.766 -10.220 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -21.468 -14.477 -11.833 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -20.272 -14.787 -10.668 1.00 2.00 H new ATOM 226 N GLY A 35 -20.817 -7.608 -8.815 1.00 57.85 N ATOM 227 CA GLY A 35 -22.071 -7.144 -8.253 1.00 55.33 C ATOM 228 C GLY A 35 -21.963 -6.873 -6.767 1.00 54.05 C ATOM 229 O GLY A 35 -21.711 -5.741 -6.345 1.00 55.43 O ATOM 0 H GLY A 35 -20.341 -6.930 -9.410 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -22.383 -6.234 -8.765 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.845 -7.891 -8.430 1.00 55.33 H new ATOM 233 N THR A 36 -22.159 -7.912 -5.971 1.00 51.72 N ATOM 234 CA THR A 36 -22.076 -7.793 -4.525 1.00 51.05 C ATOM 235 C THR A 36 -21.399 -9.026 -3.926 1.00 46.50 C ATOM 236 O THR A 36 -21.342 -9.184 -2.708 1.00 45.65 O ATOM 237 CB THR A 36 -23.479 -7.604 -3.896 1.00 51.58 C ATOM 238 OG1 THR A 36 -23.365 -7.360 -2.484 1.00 60.43 O ATOM 239 CG2 THR A 36 -24.359 -8.826 -4.135 1.00 49.93 C ATOM 0 H THR A 36 -22.378 -8.851 -6.304 1.00 51.72 H new ATOM 0 HA THR A 36 -21.477 -6.911 -4.298 1.00 51.05 H new ATOM 0 HB THR A 36 -23.945 -6.743 -4.375 1.00 51.58 H new ATOM 0 HG1 THR A 36 -22.672 -7.941 -2.106 1.00 60.43 H new ATOM 0 HG21 THR A 36 -25.337 -8.664 -3.682 1.00 49.93 H new ATOM 0 HG22 THR A 36 -24.477 -8.985 -5.207 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.893 -9.703 -3.687 1.00 49.93 H new ATOM 247 N THR A 37 -20.865 -9.887 -4.783 1.00 41.86 N ATOM 248 CA THR A 37 -20.210 -11.098 -4.317 1.00 36.46 C ATOM 249 C THR A 37 -18.756 -11.155 -4.780 1.00 36.55 C ATOM 250 O THR A 37 -18.455 -10.908 -5.951 1.00 36.77 O ATOM 251 CB THR A 37 -20.960 -12.352 -4.809 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.372 -12.099 -4.826 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.672 -13.543 -3.910 1.00 40.62 C ATOM 0 H THR A 37 -20.873 -9.769 -5.796 1.00 41.86 H new ATOM 0 HA THR A 37 -20.227 -11.078 -3.227 1.00 36.46 H new ATOM 0 HB THR A 37 -20.614 -12.583 -5.817 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.844 -12.898 -5.141 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.212 -14.415 -4.278 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.602 -13.751 -3.913 1.00 40.62 H new ATOM 0 HG23 THR A 37 -20.995 -13.318 -2.893 1.00 40.62 H new ATOM 261 N VAL A 38 -17.857 -11.465 -3.854 1.00 33.78 N ATOM 262 CA VAL A 38 -16.438 -11.566 -4.163 1.00 28.48 C ATOM 263 C VAL A 38 -16.170 -12.865 -4.913 1.00 29.22 C ATOM 264 O VAL A 38 -16.293 -13.955 -4.355 1.00 31.27 O ATOM 265 CB VAL A 38 -15.569 -11.519 -2.886 1.00 29.43 C ATOM 266 CG1 VAL A 38 -14.094 -11.411 -3.244 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.991 -10.365 -1.988 1.00 31.46 C ATOM 0 H VAL A 38 -18.088 -11.651 -2.878 1.00 33.78 H new ATOM 0 HA VAL A 38 -16.169 -10.711 -4.784 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.720 -12.449 -2.337 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -13.499 -11.379 -2.331 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.800 -12.276 -3.839 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.925 -10.501 -3.819 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -15.366 -10.351 -1.095 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -15.876 -9.424 -2.526 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -17.034 -10.492 -1.699 1.00 31.46 H new ATOM 277 N THR A 39 -15.819 -12.743 -6.180 1.00 27.35 N ATOM 278 CA THR A 39 -15.560 -13.901 -7.016 1.00 27.23 C ATOM 279 C THR A 39 -14.063 -14.112 -7.230 1.00 28.27 C ATOM 280 O THR A 39 -13.391 -13.267 -7.823 1.00 28.17 O ATOM 281 CB THR A 39 -16.254 -13.731 -8.376 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.575 -13.209 -8.173 1.00 34.63 O ATOM 283 CG2 THR A 39 -16.331 -15.055 -9.123 1.00 37.07 C ATOM 0 H THR A 39 -15.706 -11.848 -6.655 1.00 27.35 H new ATOM 0 HA THR A 39 -15.958 -14.777 -6.505 1.00 27.23 H new ATOM 0 HB THR A 39 -15.669 -13.037 -8.979 1.00 32.67 H new ATOM 0 HG1 THR A 39 -18.020 -13.098 -9.039 1.00 34.63 H new ATOM 0 HG21 THR A 39 -16.827 -14.904 -10.082 1.00 37.07 H new ATOM 0 HG22 THR A 39 -15.324 -15.437 -9.292 1.00 37.07 H new ATOM 0 HG23 THR A 39 -16.897 -15.774 -8.531 1.00 37.07 H new ATOM 291 N PRO A 40 -13.516 -15.226 -6.723 1.00 26.41 N ATOM 292 CA PRO A 40 -12.099 -15.548 -6.878 1.00 25.74 C ATOM 293 C PRO A 40 -11.769 -15.922 -8.317 1.00 27.33 C ATOM 294 O PRO A 40 -12.511 -16.669 -8.959 1.00 29.54 O ATOM 295 CB PRO A 40 -11.883 -16.753 -5.953 1.00 27.62 C ATOM 296 CG PRO A 40 -13.123 -16.858 -5.128 1.00 30.25 C ATOM 297 CD PRO A 40 -14.223 -16.255 -5.949 1.00 27.97 C ATOM 0 HA PRO A 40 -11.459 -14.701 -6.631 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -11.718 -17.664 -6.529 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -11.005 -16.610 -5.323 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.343 -17.898 -4.886 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -13.008 -16.328 -4.182 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -14.698 -16.993 -6.595 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -15.007 -15.826 -5.325 1.00 27.97 H new ATOM 305 N ASP A 41 -10.664 -15.399 -8.818 1.00 27.01 N ATOM 306 CA ASP A 41 -10.243 -15.679 -10.182 1.00 28.40 C ATOM 307 C ASP A 41 -9.558 -17.035 -10.258 1.00 29.86 C ATOM 308 O ASP A 41 -8.979 -17.503 -9.275 1.00 28.83 O ATOM 309 CB ASP A 41 -9.299 -14.589 -10.689 1.00 28.84 C ATOM 310 CG ASP A 41 -9.417 -14.378 -12.183 1.00 32.16 C ATOM 311 OD1 ASP A 41 -9.076 -15.297 -12.952 1.00 34.80 O ATOM 312 OD2 ASP A 41 -9.854 -13.286 -12.599 1.00 35.13 O ATOM 0 H ASP A 41 -10.041 -14.778 -8.302 1.00 27.01 H new ATOM 0 HA ASP A 41 -11.130 -15.695 -10.815 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.517 -13.654 -10.174 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.272 -14.857 -10.442 1.00 28.84 H new ATOM 317 N LYS A 42 -9.625 -17.663 -11.422 1.00 30.36 N ATOM 318 CA LYS A 42 -9.017 -18.970 -11.618 1.00 30.52 C ATOM 319 C LYS A 42 -7.743 -18.858 -12.446 1.00 29.13 C ATOM 320 O LYS A 42 -7.093 -19.863 -12.737 1.00 33.35 O ATOM 321 CB LYS A 42 -10.002 -19.920 -12.304 1.00 34.43 C ATOM 322 CG LYS A 42 -11.316 -20.080 -11.556 1.00 40.16 C ATOM 323 CD LYS A 42 -12.242 -21.059 -12.256 1.00 53.68 C ATOM 324 CE LYS A 42 -13.595 -21.132 -11.571 1.00 57.99 C ATOM 325 NZ LYS A 42 -14.474 -22.154 -12.197 1.00 50.24 N ATOM 0 H LYS A 42 -10.095 -17.288 -12.246 1.00 30.36 H new ATOM 0 HA LYS A 42 -8.759 -19.372 -10.638 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -10.208 -19.552 -13.309 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -9.534 -20.898 -12.413 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -11.118 -20.427 -10.542 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -11.807 -19.111 -11.471 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -12.375 -20.757 -13.295 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -11.785 -22.049 -12.268 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -13.456 -21.368 -10.516 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -14.080 -20.157 -11.618 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -15.389 -22.175 -11.703 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -14.627 -21.915 -13.198 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -14.023 -23.088 -12.129 1.00 50.24 H new ATOM 339 N ARG A 43 -7.393 -17.639 -12.831 1.00 27.87 N ATOM 340 CA ARG A 43 -6.194 -17.412 -13.626 1.00 26.95 C ATOM 341 C ARG A 43 -4.949 -17.439 -12.752 1.00 27.24 C ATOM 342 O ARG A 43 -5.003 -17.147 -11.554 1.00 26.67 O ATOM 343 CB ARG A 43 -6.270 -16.074 -14.362 1.00 29.39 C ATOM 344 CG ARG A 43 -7.225 -16.077 -15.542 1.00 31.56 C ATOM 345 CD ARG A 43 -7.421 -14.675 -16.090 1.00 30.38 C ATOM 346 NE ARG A 43 -7.956 -13.765 -15.080 1.00 29.25 N ATOM 347 CZ ARG A 43 -7.746 -12.450 -15.069 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.018 -11.876 -16.021 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.275 -11.706 -14.108 1.00 30.67 N ATOM 0 H ARG A 43 -7.920 -16.795 -12.607 1.00 27.87 H new ATOM 0 HA ARG A 43 -6.131 -18.216 -14.359 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -6.578 -15.300 -13.659 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -5.274 -15.806 -14.714 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -6.837 -16.726 -16.327 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -8.186 -16.488 -15.235 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -6.468 -14.292 -16.456 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -8.099 -14.710 -16.943 1.00 30.38 H new ATOM 0 HE ARG A 43 -8.528 -14.163 -14.335 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -6.616 -12.443 -16.767 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -6.862 -10.868 -16.006 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -8.841 -12.141 -13.380 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -8.116 -10.699 -14.097 1.00 30.67 H new ATOM 363 N LYS A 44 -3.831 -17.801 -13.354 1.00 27.38 N ATOM 364 CA LYS A 44 -2.566 -17.852 -12.646 1.00 24.82 C ATOM 365 C LYS A 44 -1.882 -16.497 -12.728 1.00 25.07 C ATOM 366 O LYS A 44 -1.450 -16.074 -13.801 1.00 25.72 O ATOM 367 CB LYS A 44 -1.677 -18.949 -13.231 1.00 31.68 C ATOM 368 CG LYS A 44 -2.375 -20.296 -13.319 1.00 36.95 C ATOM 369 CD LYS A 44 -1.465 -21.377 -13.873 1.00 40.69 C ATOM 370 CE LYS A 44 -2.199 -22.702 -14.001 1.00 45.64 C ATOM 371 NZ LYS A 44 -1.267 -23.858 -13.977 1.00 49.09 N ATOM 0 H LYS A 44 -3.774 -18.065 -14.337 1.00 27.38 H new ATOM 0 HA LYS A 44 -2.747 -18.089 -11.598 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -1.349 -18.650 -14.227 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -0.782 -19.049 -12.617 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -2.723 -20.589 -12.328 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -3.257 -20.206 -13.953 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -1.086 -21.072 -14.849 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -0.601 -21.499 -13.220 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -2.918 -22.799 -13.187 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -2.767 -22.713 -14.931 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -1.808 -24.742 -14.067 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -0.597 -23.780 -14.769 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -0.743 -23.863 -13.079 1.00 49.09 H new ATOM 385 N GLY A 45 -1.805 -15.811 -11.600 1.00 25.23 N ATOM 386 CA GLY A 45 -1.196 -14.503 -11.579 1.00 22.86 C ATOM 387 C GLY A 45 -0.039 -14.405 -10.613 1.00 20.43 C ATOM 388 O GLY A 45 0.192 -15.309 -9.805 1.00 22.06 O ATOM 0 H GLY A 45 -2.154 -16.138 -10.699 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -0.847 -14.255 -12.581 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -1.949 -13.762 -11.311 1.00 22.86 H new ATOM 392 N LEU A 46 0.688 -13.309 -10.705 1.00 20.38 N ATOM 393 CA LEU A 46 1.834 -13.066 -9.851 1.00 20.77 C ATOM 394 C LEU A 46 1.723 -11.702 -9.181 1.00 23.10 C ATOM 395 O LEU A 46 1.553 -10.682 -9.855 1.00 23.65 O ATOM 396 CB LEU A 46 3.121 -13.130 -10.676 1.00 23.04 C ATOM 397 CG LEU A 46 4.410 -12.897 -9.886 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.926 -14.206 -9.313 1.00 27.21 C ATOM 399 CD2 LEU A 46 5.462 -12.246 -10.765 1.00 26.03 C ATOM 0 H LEU A 46 0.501 -12.562 -11.374 1.00 20.38 H new ATOM 0 HA LEU A 46 1.859 -13.835 -9.079 1.00 20.77 H new ATOM 0 HB2 LEU A 46 3.179 -14.107 -11.156 1.00 23.04 H new ATOM 0 HB3 LEU A 46 3.062 -12.387 -11.472 1.00 23.04 H new ATOM 0 HG LEU A 46 4.191 -12.223 -9.058 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.843 -14.022 -8.754 1.00 27.21 H new ATOM 0 HD12 LEU A 46 4.175 -14.633 -8.648 1.00 27.21 H new ATOM 0 HD13 LEU A 46 5.130 -14.904 -10.125 1.00 27.21 H new ATOM 0 HD21 LEU A 46 6.372 -12.088 -10.187 1.00 26.03 H new ATOM 0 HD22 LEU A 46 5.679 -12.895 -11.613 1.00 26.03 H new ATOM 0 HD23 LEU A 46 5.091 -11.287 -11.127 1.00 26.03 H new ATOM 411 N VAL A 47 1.802 -11.693 -7.860 1.00 21.70 N ATOM 412 CA VAL A 47 1.739 -10.457 -7.098 1.00 22.89 C ATOM 413 C VAL A 47 3.154 -10.009 -6.779 1.00 23.42 C ATOM 414 O VAL A 47 3.933 -10.777 -6.211 1.00 22.22 O ATOM 415 CB VAL A 47 0.953 -10.626 -5.779 1.00 20.99 C ATOM 416 CG1 VAL A 47 0.945 -9.326 -4.986 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.466 -11.090 -6.054 1.00 19.99 C ATOM 0 H VAL A 47 1.910 -12.533 -7.291 1.00 21.70 H new ATOM 0 HA VAL A 47 1.217 -9.714 -7.701 1.00 22.89 H new ATOM 0 HB VAL A 47 1.453 -11.389 -5.182 1.00 20.99 H new ATOM 0 HG11 VAL A 47 0.386 -9.468 -4.061 1.00 24.03 H new ATOM 0 HG12 VAL A 47 1.969 -9.037 -4.751 1.00 24.03 H new ATOM 0 HG13 VAL A 47 0.474 -8.541 -5.578 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -1.001 -11.202 -5.111 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -0.976 -10.353 -6.675 1.00 19.99 H new ATOM 0 HG23 VAL A 47 -0.441 -12.048 -6.574 1.00 19.99 H new ATOM 427 N TYR A 48 3.496 -8.785 -7.145 1.00 22.85 N ATOM 428 CA TYR A 48 4.835 -8.290 -6.891 1.00 23.49 C ATOM 429 C TYR A 48 4.830 -6.870 -6.347 1.00 21.86 C ATOM 430 O TYR A 48 3.888 -6.104 -6.557 1.00 23.94 O ATOM 431 CB TYR A 48 5.692 -8.360 -8.162 1.00 25.01 C ATOM 432 CG TYR A 48 5.157 -7.546 -9.324 1.00 28.77 C ATOM 433 CD1 TYR A 48 5.460 -6.193 -9.456 1.00 31.32 C ATOM 434 CD2 TYR A 48 4.361 -8.136 -10.294 1.00 30.08 C ATOM 435 CE1 TYR A 48 4.981 -5.455 -10.521 1.00 31.62 C ATOM 436 CE2 TYR A 48 3.878 -7.404 -11.360 1.00 31.24 C ATOM 437 CZ TYR A 48 4.190 -6.067 -11.470 1.00 33.90 C ATOM 438 OH TYR A 48 3.717 -5.342 -12.539 1.00 40.45 O ATOM 0 H TYR A 48 2.874 -8.125 -7.612 1.00 22.85 H new ATOM 0 HA TYR A 48 5.270 -8.936 -6.128 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.699 -8.016 -7.926 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.776 -9.402 -8.472 1.00 25.01 H new ATOM 0 HD1 TYR A 48 6.080 -5.713 -8.713 1.00 31.32 H new ATOM 0 HD2 TYR A 48 4.115 -9.185 -10.214 1.00 30.08 H new ATOM 0 HE1 TYR A 48 5.224 -4.406 -10.610 1.00 31.62 H new ATOM 0 HE2 TYR A 48 3.257 -7.878 -12.106 1.00 31.24 H new ATOM 0 HH TYR A 48 3.611 -5.933 -13.314 1.00 40.45 H new ATOM 448 N ILE A 49 5.899 -6.545 -5.640 1.00 22.39 N ATOM 449 CA ILE A 49 6.086 -5.226 -5.065 1.00 23.58 C ATOM 450 C ILE A 49 7.261 -4.543 -5.752 1.00 27.61 C ATOM 451 O ILE A 49 8.393 -5.035 -5.702 1.00 27.30 O ATOM 452 CB ILE A 49 6.347 -5.302 -3.543 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.134 -5.906 -2.827 1.00 27.10 C ATOM 454 CG2 ILE A 49 6.666 -3.920 -2.986 1.00 27.09 C ATOM 455 CD1 ILE A 49 5.318 -6.064 -1.331 1.00 25.36 C ATOM 0 H ILE A 49 6.664 -7.192 -5.449 1.00 22.39 H new ATOM 0 HA ILE A 49 5.172 -4.652 -5.219 1.00 23.58 H new ATOM 0 HB ILE A 49 7.208 -5.947 -3.369 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.265 -5.275 -3.011 1.00 27.10 H new ATOM 0 HG13 ILE A 49 4.917 -6.882 -3.261 1.00 27.10 H new ATOM 0 HG21 ILE A 49 6.847 -3.993 -1.914 1.00 27.09 H new ATOM 0 HG22 ILE A 49 7.555 -3.526 -3.478 1.00 27.09 H new ATOM 0 HG23 ILE A 49 5.824 -3.251 -3.167 1.00 27.09 H new ATOM 0 HD11 ILE A 49 4.417 -6.497 -0.897 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.166 -6.720 -1.136 1.00 25.36 H new ATOM 0 HD13 ILE A 49 5.503 -5.088 -0.882 1.00 25.36 H new ATOM 467 N GLN A 50 6.988 -3.429 -6.409 1.00 27.71 N ATOM 468 CA GLN A 50 8.023 -2.696 -7.123 1.00 32.14 C ATOM 469 C GLN A 50 8.163 -1.276 -6.583 1.00 32.00 C ATOM 470 O GLN A 50 7.218 -0.488 -6.631 1.00 30.85 O ATOM 471 CB GLN A 50 7.690 -2.662 -8.616 1.00 36.37 C ATOM 472 CG GLN A 50 8.826 -2.163 -9.492 1.00 39.34 C ATOM 473 CD GLN A 50 8.447 -2.120 -10.959 1.00 45.99 C ATOM 474 OE1 GLN A 50 7.605 -2.888 -11.417 1.00 55.21 O ATOM 475 NE2 GLN A 50 9.073 -1.227 -11.707 1.00 53.40 N ATOM 0 H GLN A 50 6.059 -3.011 -6.464 1.00 27.71 H new ATOM 0 HA GLN A 50 8.974 -3.207 -6.974 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.410 -3.665 -8.938 1.00 36.37 H new ATOM 0 HB3 GLN A 50 6.820 -2.024 -8.769 1.00 36.37 H new ATOM 0 HG2 GLN A 50 9.121 -1.166 -9.166 1.00 39.34 H new ATOM 0 HG3 GLN A 50 9.693 -2.811 -9.362 1.00 39.34 H new ATOM 0 HE21 GLN A 50 9.766 -0.607 -11.288 1.00 53.40 H new ATOM 0 HE22 GLN A 50 8.863 -1.158 -12.703 1.00 53.40 H new ATOM 484 N GLN A 51 9.341 -0.955 -6.066 1.00 32.95 N ATOM 485 CA GLN A 51 9.596 0.375 -5.533 1.00 32.74 C ATOM 486 C GLN A 51 10.269 1.238 -6.593 1.00 36.30 C ATOM 487 O GLN A 51 11.356 0.912 -7.074 1.00 38.61 O ATOM 488 CB GLN A 51 10.474 0.300 -4.281 1.00 33.49 C ATOM 489 CG GLN A 51 10.658 1.639 -3.580 1.00 36.02 C ATOM 490 CD GLN A 51 11.454 1.523 -2.295 1.00 40.59 C ATOM 491 OE1 GLN A 51 12.337 0.675 -2.169 1.00 47.50 O ATOM 492 NE2 GLN A 51 11.140 2.368 -1.328 1.00 36.66 N ATOM 0 H GLN A 51 10.133 -1.595 -6.005 1.00 32.95 H new ATOM 0 HA GLN A 51 8.643 0.825 -5.256 1.00 32.74 H new ATOM 0 HB2 GLN A 51 10.032 -0.409 -3.581 1.00 33.49 H new ATOM 0 HB3 GLN A 51 11.453 -0.093 -4.557 1.00 33.49 H new ATOM 0 HG2 GLN A 51 11.163 2.331 -4.254 1.00 36.02 H new ATOM 0 HG3 GLN A 51 9.680 2.066 -3.359 1.00 36.02 H new ATOM 0 HE21 GLN A 51 10.401 3.057 -1.472 1.00 36.66 H new ATOM 0 HE22 GLN A 51 11.636 2.331 -0.438 1.00 36.66 H new ATOM 501 N THR A 52 9.616 2.324 -6.965 1.00 32.79 N ATOM 502 CA THR A 52 10.148 3.223 -7.972 1.00 35.62 C ATOM 503 C THR A 52 10.840 4.431 -7.336 1.00 34.85 C ATOM 504 O THR A 52 10.737 4.651 -6.127 1.00 33.85 O ATOM 505 CB THR A 52 9.027 3.688 -8.912 1.00 36.57 C ATOM 506 OG1 THR A 52 7.766 3.605 -8.237 1.00 36.03 O ATOM 507 CG2 THR A 52 8.986 2.835 -10.167 1.00 36.33 C ATOM 0 H THR A 52 8.713 2.605 -6.583 1.00 32.79 H new ATOM 0 HA THR A 52 10.895 2.676 -8.548 1.00 35.62 H new ATOM 0 HB THR A 52 9.225 4.721 -9.199 1.00 36.57 H new ATOM 0 HG1 THR A 52 7.572 4.461 -7.801 1.00 36.03 H new ATOM 0 HG21 THR A 52 8.184 3.183 -10.818 1.00 36.33 H new ATOM 0 HG22 THR A 52 9.938 2.913 -10.691 1.00 36.33 H new ATOM 0 HG23 THR A 52 8.806 1.795 -9.894 1.00 36.33 H new ATOM 515 N ASP A 53 11.531 5.215 -8.164 1.00 40.95 N ATOM 516 CA ASP A 53 12.267 6.398 -7.702 1.00 43.16 C ATOM 517 C ASP A 53 11.339 7.455 -7.101 1.00 43.44 C ATOM 518 O ASP A 53 11.773 8.311 -6.331 1.00 42.75 O ATOM 519 CB ASP A 53 13.062 7.017 -8.859 1.00 50.66 C ATOM 520 CG ASP A 53 12.325 8.158 -9.544 1.00 58.97 C ATOM 521 OD1 ASP A 53 11.408 7.888 -10.348 1.00 70.66 O ATOM 522 OD2 ASP A 53 12.660 9.331 -9.280 1.00 70.60 O ATOM 0 H ASP A 53 11.598 5.052 -9.169 1.00 40.95 H new ATOM 0 HA ASP A 53 12.949 6.064 -6.920 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.017 7.383 -8.481 1.00 50.66 H new ATOM 0 HB3 ASP A 53 13.286 6.243 -9.594 1.00 50.66 H new ATOM 527 N ASP A 54 10.063 7.381 -7.444 1.00 39.48 N ATOM 528 CA ASP A 54 9.073 8.339 -6.958 1.00 39.12 C ATOM 529 C ASP A 54 8.582 7.977 -5.561 1.00 37.04 C ATOM 530 O ASP A 54 7.620 8.567 -5.063 1.00 37.46 O ATOM 531 CB ASP A 54 7.888 8.423 -7.921 1.00 40.13 C ATOM 532 CG ASP A 54 7.622 7.112 -8.627 1.00 38.54 C ATOM 533 OD1 ASP A 54 7.429 6.097 -7.936 1.00 36.07 O ATOM 534 OD2 ASP A 54 7.624 7.092 -9.879 1.00 42.19 O ATOM 0 H ASP A 54 9.683 6.663 -8.061 1.00 39.48 H new ATOM 0 HA ASP A 54 9.560 9.313 -6.905 1.00 39.12 H new ATOM 0 HB2 ASP A 54 6.997 8.723 -7.370 1.00 40.13 H new ATOM 0 HB3 ASP A 54 8.080 9.199 -8.662 1.00 40.13 H new ATOM 539 N SER A 55 9.247 6.996 -4.948 1.00 33.99 N ATOM 540 CA SER A 55 8.931 6.534 -3.595 1.00 31.71 C ATOM 541 C SER A 55 7.577 5.822 -3.536 1.00 28.99 C ATOM 542 O SER A 55 7.014 5.631 -2.456 1.00 29.99 O ATOM 543 CB SER A 55 8.948 7.710 -2.609 1.00 40.69 C ATOM 544 OG SER A 55 10.093 8.533 -2.800 1.00 39.56 O ATOM 0 H SER A 55 10.025 6.497 -5.379 1.00 33.99 H new ATOM 0 HA SER A 55 9.699 5.814 -3.311 1.00 31.71 H new ATOM 0 HB2 SER A 55 8.044 8.306 -2.736 1.00 40.69 H new ATOM 0 HB3 SER A 55 8.938 7.330 -1.587 1.00 40.69 H new ATOM 0 HG SER A 55 10.385 8.892 -1.936 1.00 39.56 H new ATOM 550 N LEU A 56 7.068 5.417 -4.691 1.00 31.45 N ATOM 551 CA LEU A 56 5.782 4.738 -4.756 1.00 28.30 C ATOM 552 C LEU A 56 5.945 3.227 -4.684 1.00 28.13 C ATOM 553 O LEU A 56 6.669 2.632 -5.487 1.00 30.03 O ATOM 554 CB LEU A 56 5.045 5.086 -6.054 1.00 29.92 C ATOM 555 CG LEU A 56 4.883 6.575 -6.365 1.00 28.23 C ATOM 556 CD1 LEU A 56 4.036 6.762 -7.614 1.00 31.16 C ATOM 557 CD2 LEU A 56 4.263 7.313 -5.194 1.00 29.13 C ATOM 0 H LEU A 56 7.525 5.546 -5.594 1.00 31.45 H new ATOM 0 HA LEU A 56 5.203 5.079 -3.898 1.00 28.30 H new ATOM 0 HB2 LEU A 56 5.575 4.619 -6.884 1.00 29.92 H new ATOM 0 HB3 LEU A 56 4.053 4.635 -6.016 1.00 29.92 H new ATOM 0 HG LEU A 56 5.873 6.994 -6.542 1.00 28.23 H new ATOM 0 HD11 LEU A 56 3.928 7.826 -7.825 1.00 31.16 H new ATOM 0 HD12 LEU A 56 4.520 6.272 -8.459 1.00 31.16 H new ATOM 0 HD13 LEU A 56 3.051 6.322 -7.455 1.00 31.16 H new ATOM 0 HD21 LEU A 56 4.160 8.369 -5.443 1.00 29.13 H new ATOM 0 HD22 LEU A 56 3.280 6.893 -4.978 1.00 29.13 H new ATOM 0 HD23 LEU A 56 4.903 7.208 -4.318 1.00 29.13 H new ATOM 569 N ILE A 57 5.276 2.608 -3.723 1.00 26.76 N ATOM 570 CA ILE A 57 5.309 1.163 -3.586 1.00 25.89 C ATOM 571 C ILE A 57 4.241 0.583 -4.501 1.00 27.00 C ATOM 572 O ILE A 57 3.050 0.613 -4.190 1.00 27.45 O ATOM 573 CB ILE A 57 5.071 0.703 -2.128 1.00 27.42 C ATOM 574 CG1 ILE A 57 6.175 1.239 -1.211 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.005 -0.818 -2.046 1.00 28.59 C ATOM 576 CD1 ILE A 57 7.560 0.744 -1.576 1.00 37.28 C ATOM 0 H ILE A 57 4.704 3.086 -3.027 1.00 26.76 H new ATOM 0 HA ILE A 57 6.300 0.806 -3.864 1.00 25.89 H new ATOM 0 HB ILE A 57 4.115 1.106 -1.794 1.00 27.42 H new ATOM 0 HG12 ILE A 57 6.167 2.328 -1.245 1.00 31.55 H new ATOM 0 HG13 ILE A 57 5.954 0.950 -0.183 1.00 31.55 H new ATOM 0 HG21 ILE A 57 4.837 -1.120 -1.012 1.00 28.59 H new ATOM 0 HG22 ILE A 57 4.186 -1.181 -2.667 1.00 28.59 H new ATOM 0 HG23 ILE A 57 5.945 -1.243 -2.400 1.00 28.59 H new ATOM 0 HD11 ILE A 57 8.290 1.164 -0.885 1.00 37.28 H new ATOM 0 HD12 ILE A 57 7.586 -0.344 -1.514 1.00 37.28 H new ATOM 0 HD13 ILE A 57 7.802 1.055 -2.592 1.00 37.28 H new ATOM 588 N HIS A 58 4.669 0.089 -5.646 1.00 26.83 N ATOM 589 CA HIS A 58 3.749 -0.448 -6.629 1.00 24.25 C ATOM 590 C HIS A 58 3.331 -1.875 -6.312 1.00 29.20 C ATOM 591 O HIS A 58 4.117 -2.812 -6.446 1.00 26.43 O ATOM 592 CB HIS A 58 4.366 -0.377 -8.026 1.00 27.78 C ATOM 593 CG HIS A 58 4.231 0.968 -8.661 1.00 33.31 C ATOM 594 ND1 HIS A 58 5.266 1.876 -8.741 1.00 38.84 N ATOM 595 CD2 HIS A 58 3.169 1.559 -9.252 1.00 29.13 C ATOM 596 CE1 HIS A 58 4.843 2.968 -9.352 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.575 2.801 -9.669 1.00 37.59 N ATOM 0 H HIS A 58 5.651 0.048 -5.919 1.00 26.83 H new ATOM 0 HA HIS A 58 2.849 0.167 -6.597 1.00 24.25 H new ATOM 0 HB2 HIS A 58 5.423 -0.638 -7.963 1.00 27.78 H new ATOM 0 HB3 HIS A 58 3.891 -1.122 -8.664 1.00 27.78 H new ATOM 0 HD2 HIS A 58 2.184 1.133 -9.373 1.00 29.13 H new ATOM 0 HE1 HIS A 58 5.435 3.848 -9.557 1.00 32.16 H new ATOM 0 HE2 HIS A 58 2.989 3.485 -10.148 1.00 37.59 H new ATOM 606 N PHE A 59 2.095 -2.012 -5.859 1.00 24.93 N ATOM 607 CA PHE A 59 1.512 -3.308 -5.561 1.00 24.00 C ATOM 608 C PHE A 59 0.644 -3.685 -6.751 1.00 24.90 C ATOM 609 O PHE A 59 -0.514 -3.272 -6.840 1.00 22.76 O ATOM 610 CB PHE A 59 0.679 -3.235 -4.277 1.00 22.07 C ATOM 611 CG PHE A 59 0.360 -4.570 -3.664 1.00 22.53 C ATOM 612 CD1 PHE A 59 1.310 -5.248 -2.918 1.00 23.94 C ATOM 613 CD2 PHE A 59 -0.891 -5.140 -3.826 1.00 23.49 C ATOM 614 CE1 PHE A 59 1.018 -6.471 -2.344 1.00 24.34 C ATOM 615 CE2 PHE A 59 -1.190 -6.364 -3.257 1.00 25.32 C ATOM 616 CZ PHE A 59 -0.234 -7.031 -2.515 1.00 23.59 C ATOM 0 H PHE A 59 1.468 -1.226 -5.688 1.00 24.93 H new ATOM 0 HA PHE A 59 2.285 -4.059 -5.398 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.216 -2.632 -3.545 1.00 22.07 H new ATOM 0 HB3 PHE A 59 -0.255 -2.716 -4.494 1.00 22.07 H new ATOM 0 HD1 PHE A 59 2.291 -4.816 -2.783 1.00 23.94 H new ATOM 0 HD2 PHE A 59 -1.642 -4.622 -4.404 1.00 23.49 H new ATOM 0 HE1 PHE A 59 1.767 -6.988 -1.763 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -2.170 -6.798 -3.392 1.00 25.32 H new ATOM 0 HZ PHE A 59 -0.465 -7.988 -2.070 1.00 23.59 H new ATOM 626 N CYS A 60 1.216 -4.429 -7.681 1.00 24.92 N ATOM 627 CA CYS A 60 0.503 -4.788 -8.892 1.00 24.28 C ATOM 628 C CYS A 60 0.331 -6.295 -9.054 1.00 22.52 C ATOM 629 O CYS A 60 1.137 -7.092 -8.567 1.00 22.77 O ATOM 630 CB CYS A 60 1.246 -4.212 -10.101 1.00 25.29 C ATOM 631 SG CYS A 60 2.080 -2.637 -9.778 1.00 29.25 S ATOM 0 H CYS A 60 2.167 -4.794 -7.621 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.499 -4.365 -8.822 1.00 24.28 H new ATOM 0 HB2 CYS A 60 1.985 -4.939 -10.440 1.00 25.29 H new ATOM 0 HB3 CYS A 60 0.537 -4.074 -10.917 1.00 25.29 H new ATOM 0 HG CYS A 60 1.366 -1.662 -10.257 1.00 29.25 H new ATOM 637 N TRP A 61 -0.740 -6.667 -9.746 1.00 21.73 N ATOM 638 CA TRP A 61 -1.045 -8.060 -10.026 1.00 24.21 C ATOM 639 C TRP A 61 -0.865 -8.309 -11.515 1.00 23.19 C ATOM 640 O TRP A 61 -1.532 -7.681 -12.343 1.00 23.71 O ATOM 641 CB TRP A 61 -2.480 -8.401 -9.606 1.00 23.71 C ATOM 642 CG TRP A 61 -2.819 -9.860 -9.740 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.645 -10.829 -8.794 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.393 -10.516 -10.879 1.00 21.21 C ATOM 645 NE1 TRP A 61 -3.068 -12.043 -9.274 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.535 -11.876 -10.551 1.00 21.69 C ATOM 647 CE3 TRP A 61 -3.802 -10.084 -12.145 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.063 -12.807 -11.444 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.329 -11.006 -13.028 1.00 22.81 C ATOM 650 CH2 TRP A 61 -4.456 -12.354 -12.673 1.00 22.79 C ATOM 0 H TRP A 61 -1.420 -6.009 -10.128 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.369 -8.697 -9.455 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.628 -8.096 -8.570 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.174 -7.819 -10.212 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -2.233 -10.664 -7.809 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -3.039 -12.926 -8.763 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -3.707 -9.046 -12.428 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.158 -13.849 -11.175 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -4.648 -10.682 -14.008 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -4.873 -13.051 -13.385 1.00 22.79 H new ATOM 661 N LYS A 62 0.037 -9.208 -11.855 1.00 23.00 N ATOM 662 CA LYS A 62 0.310 -9.513 -13.246 1.00 25.78 C ATOM 663 C LYS A 62 -0.188 -10.898 -13.625 1.00 27.19 C ATOM 664 O LYS A 62 0.093 -11.880 -12.938 1.00 24.10 O ATOM 665 CB LYS A 62 1.813 -9.401 -13.506 1.00 30.99 C ATOM 666 CG LYS A 62 2.271 -10.018 -14.816 1.00 37.82 C ATOM 667 CD LYS A 62 3.758 -9.809 -15.024 1.00 35.10 C ATOM 668 CE LYS A 62 4.262 -10.564 -16.239 1.00 48.03 C ATOM 669 NZ LYS A 62 5.619 -10.117 -16.641 1.00 48.74 N ATOM 0 H LYS A 62 0.594 -9.741 -11.187 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.225 -8.793 -13.865 1.00 25.78 H new ATOM 0 HB2 LYS A 62 2.093 -8.348 -13.497 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.348 -9.880 -12.686 1.00 30.99 H new ATOM 0 HG2 LYS A 62 2.046 -11.085 -14.818 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.718 -9.574 -15.644 1.00 37.82 H new ATOM 0 HD2 LYS A 62 3.963 -8.745 -15.145 1.00 35.10 H new ATOM 0 HD3 LYS A 62 4.300 -10.140 -14.138 1.00 35.10 H new ATOM 0 HE2 LYS A 62 4.281 -11.632 -16.022 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.571 -10.420 -17.069 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.929 -10.656 -17.475 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 5.596 -9.103 -16.873 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 6.284 -10.278 -15.858 1.00 48.74 H new ATOM 683 N ASP A 63 -0.936 -10.966 -14.715 1.00 25.78 N ATOM 684 CA ASP A 63 -1.448 -12.232 -15.211 1.00 25.28 C ATOM 685 C ASP A 63 -0.320 -12.976 -15.915 1.00 27.61 C ATOM 686 O ASP A 63 0.331 -12.425 -16.801 1.00 28.08 O ATOM 687 CB ASP A 63 -2.619 -11.993 -16.167 1.00 27.58 C ATOM 688 CG ASP A 63 -2.959 -13.215 -16.992 1.00 32.53 C ATOM 689 OD1 ASP A 63 -3.238 -14.281 -16.411 1.00 43.65 O ATOM 690 OD2 ASP A 63 -2.948 -13.118 -18.236 1.00 44.29 O ATOM 0 H ASP A 63 -1.202 -10.156 -15.274 1.00 25.78 H new ATOM 0 HA ASP A 63 -1.814 -12.834 -14.379 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -3.495 -11.692 -15.593 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -2.375 -11.166 -16.834 1.00 27.58 H new ATOM 695 N ARG A 64 -0.085 -14.219 -15.521 1.00 25.21 N ATOM 696 CA ARG A 64 0.998 -15.008 -16.101 1.00 26.58 C ATOM 697 C ARG A 64 0.603 -15.600 -17.452 1.00 32.09 C ATOM 698 O ARG A 64 1.447 -16.147 -18.164 1.00 35.96 O ATOM 699 CB ARG A 64 1.420 -16.122 -15.141 1.00 26.02 C ATOM 700 CG ARG A 64 1.918 -15.613 -13.796 1.00 23.07 C ATOM 701 CD ARG A 64 2.235 -16.757 -12.847 1.00 26.59 C ATOM 702 NE ARG A 64 3.353 -17.571 -13.323 1.00 24.42 N ATOM 703 CZ ARG A 64 3.598 -18.815 -12.919 1.00 28.00 C ATOM 704 NH1 ARG A 64 2.822 -19.384 -12.004 1.00 26.89 N ATOM 705 NH2 ARG A 64 4.627 -19.485 -13.423 1.00 28.46 N ATOM 0 H ARG A 64 -0.626 -14.704 -14.805 1.00 25.21 H new ATOM 0 HA ARG A 64 1.842 -14.338 -16.264 1.00 26.58 H new ATOM 0 HB2 ARG A 64 0.573 -16.788 -14.977 1.00 26.02 H new ATOM 0 HB3 ARG A 64 2.206 -16.715 -15.609 1.00 26.02 H new ATOM 0 HG2 ARG A 64 2.810 -15.005 -13.944 1.00 23.07 H new ATOM 0 HG3 ARG A 64 1.163 -14.967 -13.349 1.00 23.07 H new ATOM 0 HD2 ARG A 64 2.473 -16.355 -11.862 1.00 26.59 H new ATOM 0 HD3 ARG A 64 1.353 -17.386 -12.730 1.00 26.59 H new ATOM 0 HE ARG A 64 3.986 -17.159 -14.009 1.00 24.42 H new ATOM 0 HH11 ARG A 64 2.036 -18.867 -11.609 1.00 26.89 H new ATOM 0 HH12 ARG A 64 3.012 -20.338 -11.696 1.00 26.89 H new ATOM 0 HH21 ARG A 64 5.229 -19.046 -14.119 1.00 28.46 H new ATOM 0 HH22 ARG A 64 4.815 -20.439 -13.114 1.00 28.46 H new ATOM 719 N THR A 65 -0.672 -15.482 -17.800 1.00 33.44 N ATOM 720 CA THR A 65 -1.169 -16.010 -19.062 1.00 36.88 C ATOM 721 C THR A 65 -0.825 -15.083 -20.228 1.00 39.61 C ATOM 722 O THR A 65 -0.203 -15.502 -21.205 1.00 43.46 O ATOM 723 CB THR A 65 -2.694 -16.210 -19.008 1.00 37.93 C ATOM 724 OG1 THR A 65 -3.091 -16.553 -17.672 1.00 37.86 O ATOM 725 CG2 THR A 65 -3.138 -17.301 -19.973 1.00 41.05 C ATOM 0 H THR A 65 -1.380 -15.025 -17.225 1.00 33.44 H new ATOM 0 HA THR A 65 -0.682 -16.972 -19.222 1.00 36.88 H new ATOM 0 HB THR A 65 -3.172 -15.276 -19.304 1.00 37.93 H new ATOM 0 HG1 THR A 65 -3.426 -15.753 -17.215 1.00 37.86 H new ATOM 0 HG21 THR A 65 -4.220 -17.421 -19.914 1.00 41.05 H new ATOM 0 HG22 THR A 65 -2.859 -17.023 -20.989 1.00 41.05 H new ATOM 0 HG23 THR A 65 -2.654 -18.241 -19.707 1.00 41.05 H new ATOM 733 N SER A 66 -1.234 -13.826 -20.123 1.00 37.37 N ATOM 734 CA SER A 66 -0.979 -12.847 -21.173 1.00 38.86 C ATOM 735 C SER A 66 0.234 -11.981 -20.851 1.00 40.19 C ATOM 736 O SER A 66 0.880 -11.439 -21.750 1.00 43.03 O ATOM 737 CB SER A 66 -2.212 -11.965 -21.364 1.00 38.83 C ATOM 738 OG SER A 66 -2.588 -11.340 -20.143 1.00 38.28 O ATOM 0 H SER A 66 -1.745 -13.459 -19.320 1.00 37.37 H new ATOM 0 HA SER A 66 -0.766 -13.389 -22.095 1.00 38.86 H new ATOM 0 HB2 SER A 66 -2.006 -11.204 -22.117 1.00 38.83 H new ATOM 0 HB3 SER A 66 -3.040 -12.568 -21.738 1.00 38.83 H new ATOM 0 HG SER A 66 -3.018 -11.998 -19.558 1.00 38.28 H new ATOM 744 N GLY A 67 0.537 -11.856 -19.569 1.00 37.65 N ATOM 745 CA GLY A 67 1.658 -11.043 -19.147 1.00 35.24 C ATOM 746 C GLY A 67 1.241 -9.616 -18.874 1.00 32.90 C ATOM 747 O GLY A 67 2.079 -8.745 -18.633 1.00 38.76 O ATOM 0 H GLY A 67 0.025 -12.305 -18.810 1.00 37.65 H new ATOM 0 HA2 GLY A 67 2.100 -11.471 -18.248 1.00 35.24 H new ATOM 0 HA3 GLY A 67 2.428 -11.056 -19.918 1.00 35.24 H new ATOM 751 N THR A 68 -0.064 -9.389 -18.897 1.00 35.01 N ATOM 752 CA THR A 68 -0.624 -8.068 -18.675 1.00 34.10 C ATOM 753 C THR A 68 -0.836 -7.785 -17.192 1.00 32.67 C ATOM 754 O THR A 68 -1.240 -8.662 -16.425 1.00 29.63 O ATOM 755 CB THR A 68 -1.970 -7.928 -19.408 1.00 41.04 C ATOM 756 OG1 THR A 68 -1.907 -8.610 -20.669 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.323 -6.464 -19.636 1.00 41.80 C ATOM 0 H THR A 68 -0.761 -10.114 -19.070 1.00 35.01 H new ATOM 0 HA THR A 68 0.092 -7.346 -19.067 1.00 34.10 H new ATOM 0 HB THR A 68 -2.745 -8.374 -18.785 1.00 41.04 H new ATOM 0 HG1 THR A 68 -2.147 -9.552 -20.544 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.279 -6.397 -20.156 1.00 41.80 H new ATOM 0 HG22 THR A 68 -2.395 -5.953 -18.676 1.00 41.80 H new ATOM 0 HG23 THR A 68 -1.548 -5.993 -20.240 1.00 41.80 H new ATOM 765 N VAL A 69 -0.540 -6.557 -16.797 1.00 33.44 N ATOM 766 CA VAL A 69 -0.722 -6.126 -15.424 1.00 31.48 C ATOM 767 C VAL A 69 -2.084 -5.461 -15.288 1.00 34.28 C ATOM 768 O VAL A 69 -2.351 -4.447 -15.939 1.00 37.70 O ATOM 769 CB VAL A 69 0.377 -5.134 -14.987 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.237 -4.790 -13.514 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.755 -5.703 -15.277 1.00 34.92 C ATOM 0 H VAL A 69 -0.169 -5.836 -17.416 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.657 -7.003 -14.780 1.00 31.48 H new ATOM 0 HB VAL A 69 0.257 -4.216 -15.562 1.00 33.02 H new ATOM 0 HG11 VAL A 69 1.022 -4.090 -13.228 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.738 -4.335 -13.338 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.326 -5.698 -12.918 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.517 -4.990 -14.962 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.885 -6.637 -14.731 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.853 -5.891 -16.346 1.00 34.92 H new ATOM 781 N GLU A 70 -2.945 -6.031 -14.460 1.00 27.61 N ATOM 782 CA GLU A 70 -4.282 -5.488 -14.265 1.00 28.48 C ATOM 783 C GLU A 70 -4.311 -4.514 -13.094 1.00 35.57 C ATOM 784 O GLU A 70 -4.480 -3.306 -13.274 1.00 36.58 O ATOM 785 CB GLU A 70 -5.292 -6.611 -14.019 1.00 34.68 C ATOM 786 CG GLU A 70 -5.305 -7.676 -15.102 1.00 39.08 C ATOM 787 CD GLU A 70 -6.489 -8.613 -14.985 1.00 33.19 C ATOM 788 OE1 GLU A 70 -7.048 -8.745 -13.875 1.00 39.04 O ATOM 789 OE2 GLU A 70 -6.873 -9.224 -16.005 1.00 44.88 O ATOM 0 H GLU A 70 -2.744 -6.868 -13.913 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.555 -4.953 -15.175 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -5.070 -7.083 -13.062 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.289 -6.178 -13.937 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -5.323 -7.194 -16.080 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.382 -8.254 -15.049 1.00 39.08 H new ATOM 796 N ASP A 71 -4.127 -5.044 -11.897 1.00 27.90 N ATOM 797 CA ASP A 71 -4.153 -4.233 -10.691 1.00 27.06 C ATOM 798 C ASP A 71 -2.848 -3.473 -10.515 1.00 26.23 C ATOM 799 O ASP A 71 -1.768 -4.031 -10.700 1.00 25.29 O ATOM 800 CB ASP A 71 -4.407 -5.104 -9.460 1.00 27.28 C ATOM 801 CG ASP A 71 -5.791 -5.717 -9.452 1.00 36.49 C ATOM 802 OD1 ASP A 71 -6.746 -5.038 -9.018 1.00 44.65 O ATOM 803 OD2 ASP A 71 -5.933 -6.885 -9.871 1.00 33.15 O ATOM 0 H ASP A 71 -3.957 -6.036 -11.734 1.00 27.90 H new ATOM 0 HA ASP A 71 -4.966 -3.514 -10.795 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.662 -5.899 -9.423 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.276 -4.502 -8.561 1.00 27.28 H new ATOM 808 N ASP A 72 -2.964 -2.199 -10.176 1.00 28.12 N ATOM 809 CA ASP A 72 -1.814 -1.334 -9.947 1.00 27.09 C ATOM 810 C ASP A 72 -2.175 -0.322 -8.872 1.00 28.96 C ATOM 811 O ASP A 72 -2.902 0.638 -9.131 1.00 30.68 O ATOM 812 CB ASP A 72 -1.403 -0.614 -11.236 1.00 32.18 C ATOM 813 CG ASP A 72 -0.194 0.288 -11.046 1.00 37.86 C ATOM 814 OD1 ASP A 72 0.946 -0.224 -11.085 1.00 34.36 O ATOM 815 OD2 ASP A 72 -0.377 1.516 -10.879 1.00 46.72 O ATOM 0 H ASP A 72 -3.862 -1.732 -10.051 1.00 28.12 H new ATOM 0 HA ASP A 72 -0.967 -1.939 -9.622 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -1.182 -1.354 -12.005 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -2.242 -0.019 -11.598 1.00 32.18 H new ATOM 820 N LEU A 73 -1.706 -0.555 -7.659 1.00 27.72 N ATOM 821 CA LEU A 73 -2.010 0.337 -6.550 1.00 25.71 C ATOM 822 C LEU A 73 -0.763 1.060 -6.061 1.00 28.61 C ATOM 823 O LEU A 73 0.334 0.497 -6.051 1.00 28.34 O ATOM 824 CB LEU A 73 -2.650 -0.439 -5.393 1.00 28.50 C ATOM 825 CG LEU A 73 -4.011 -1.077 -5.702 1.00 38.00 C ATOM 826 CD1 LEU A 73 -3.839 -2.493 -6.230 1.00 46.75 C ATOM 827 CD2 LEU A 73 -4.892 -1.074 -4.461 1.00 41.56 C ATOM 0 H LEU A 73 -1.116 -1.350 -7.416 1.00 27.72 H new ATOM 0 HA LEU A 73 -2.717 1.083 -6.913 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -1.962 -1.225 -5.080 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -2.768 0.237 -4.546 1.00 28.50 H new ATOM 0 HG LEU A 73 -4.498 -0.484 -6.476 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -4.818 -2.924 -6.442 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -3.247 -2.471 -7.145 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -3.329 -3.101 -5.482 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -5.854 -1.530 -4.696 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -4.406 -1.642 -3.668 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -5.049 -0.048 -4.128 1.00 41.56 H new ATOM 839 N ILE A 74 -0.943 2.312 -5.666 1.00 26.56 N ATOM 840 CA ILE A 74 0.151 3.124 -5.160 1.00 26.14 C ATOM 841 C ILE A 74 0.177 3.042 -3.641 1.00 27.51 C ATOM 842 O ILE A 74 -0.459 3.835 -2.947 1.00 28.90 O ATOM 843 CB ILE A 74 0.017 4.596 -5.601 1.00 28.52 C ATOM 844 CG1 ILE A 74 -0.171 4.686 -7.120 1.00 30.04 C ATOM 845 CG2 ILE A 74 1.240 5.394 -5.167 1.00 31.95 C ATOM 846 CD1 ILE A 74 -0.512 6.077 -7.611 1.00 35.26 C ATOM 0 H ILE A 74 -1.844 2.789 -5.687 1.00 26.56 H new ATOM 0 HA ILE A 74 1.083 2.737 -5.573 1.00 26.14 H new ATOM 0 HB ILE A 74 -0.863 5.022 -5.119 1.00 28.52 H new ATOM 0 HG12 ILE A 74 0.743 4.351 -7.611 1.00 30.04 H new ATOM 0 HG13 ILE A 74 -0.963 4.000 -7.420 1.00 30.04 H new ATOM 0 HG21 ILE A 74 1.130 6.431 -5.486 1.00 31.95 H new ATOM 0 HG22 ILE A 74 1.333 5.356 -4.082 1.00 31.95 H new ATOM 0 HG23 ILE A 74 2.133 4.967 -5.623 1.00 31.95 H new ATOM 0 HD11 ILE A 74 -0.630 6.062 -8.695 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -1.442 6.408 -7.150 1.00 35.26 H new ATOM 0 HD13 ILE A 74 0.290 6.764 -7.343 1.00 35.26 H new ATOM 858 N ILE A 75 0.909 2.072 -3.133 1.00 25.23 N ATOM 859 CA ILE A 75 0.994 1.856 -1.702 1.00 23.84 C ATOM 860 C ILE A 75 2.121 2.664 -1.074 1.00 27.62 C ATOM 861 O ILE A 75 3.149 2.926 -1.700 1.00 28.33 O ATOM 862 CB ILE A 75 1.207 0.355 -1.385 1.00 26.16 C ATOM 863 CG1 ILE A 75 0.206 -0.512 -2.156 1.00 34.34 C ATOM 864 CG2 ILE A 75 1.096 0.094 0.111 1.00 27.19 C ATOM 865 CD1 ILE A 75 -1.241 -0.186 -1.865 1.00 41.17 C ATOM 0 H ILE A 75 1.456 1.418 -3.692 1.00 25.23 H new ATOM 0 HA ILE A 75 0.048 2.190 -1.275 1.00 23.84 H new ATOM 0 HB ILE A 75 2.213 0.085 -1.705 1.00 26.16 H new ATOM 0 HG12 ILE A 75 0.387 -0.394 -3.224 1.00 34.34 H new ATOM 0 HG13 ILE A 75 0.387 -1.560 -1.915 1.00 34.34 H new ATOM 0 HG21 ILE A 75 1.249 -0.967 0.308 1.00 27.19 H new ATOM 0 HG22 ILE A 75 1.853 0.674 0.639 1.00 27.19 H new ATOM 0 HG23 ILE A 75 0.106 0.388 0.459 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -1.886 -0.842 -2.449 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -1.440 -0.332 -0.803 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -1.441 0.851 -2.133 1.00 41.17 H new ATOM 877 N PHE A 76 1.888 3.097 0.150 1.00 27.22 N ATOM 878 CA PHE A 76 2.873 3.833 0.913 1.00 29.75 C ATOM 879 C PHE A 76 3.079 3.141 2.257 1.00 28.37 C ATOM 880 O PHE A 76 2.168 2.475 2.753 1.00 30.39 O ATOM 881 CB PHE A 76 2.424 5.277 1.117 1.00 28.99 C ATOM 882 CG PHE A 76 3.057 6.235 0.151 1.00 26.06 C ATOM 883 CD1 PHE A 76 2.522 6.423 -1.111 1.00 29.04 C ATOM 884 CD2 PHE A 76 4.192 6.942 0.505 1.00 26.47 C ATOM 885 CE1 PHE A 76 3.107 7.299 -2.001 1.00 30.38 C ATOM 886 CE2 PHE A 76 4.783 7.819 -0.381 1.00 27.65 C ATOM 887 CZ PHE A 76 4.239 7.997 -1.635 1.00 29.98 C ATOM 0 H PHE A 76 1.008 2.947 0.643 1.00 27.22 H new ATOM 0 HA PHE A 76 3.816 3.851 0.366 1.00 29.75 H new ATOM 0 HB2 PHE A 76 1.340 5.331 1.015 1.00 28.99 H new ATOM 0 HB3 PHE A 76 2.664 5.585 2.135 1.00 28.99 H new ATOM 0 HD1 PHE A 76 1.636 5.878 -1.402 1.00 29.04 H new ATOM 0 HD2 PHE A 76 4.621 6.806 1.487 1.00 26.47 H new ATOM 0 HE1 PHE A 76 2.680 7.438 -2.983 1.00 30.38 H new ATOM 0 HE2 PHE A 76 5.669 8.365 -0.093 1.00 27.65 H new ATOM 0 HZ PHE A 76 4.699 8.683 -2.331 1.00 29.98 H new ATOM 897 N PRO A 77 4.279 3.264 2.848 1.00 29.47 N ATOM 898 CA PRO A 77 4.596 2.637 4.138 1.00 29.23 C ATOM 899 C PRO A 77 3.587 2.967 5.235 1.00 36.32 C ATOM 900 O PRO A 77 3.148 4.112 5.365 1.00 38.20 O ATOM 901 CB PRO A 77 5.968 3.212 4.487 1.00 29.39 C ATOM 902 CG PRO A 77 6.571 3.569 3.175 1.00 32.72 C ATOM 903 CD PRO A 77 5.428 4.010 2.306 1.00 31.35 C ATOM 0 HA PRO A 77 4.573 1.550 4.065 1.00 29.23 H new ATOM 0 HB2 PRO A 77 5.879 4.085 5.133 1.00 29.39 H new ATOM 0 HB3 PRO A 77 6.579 2.483 5.019 1.00 29.39 H new ATOM 0 HG2 PRO A 77 7.307 4.365 3.287 1.00 32.72 H new ATOM 0 HG3 PRO A 77 7.088 2.715 2.737 1.00 32.72 H new ATOM 0 HD2 PRO A 77 5.271 5.087 2.364 1.00 31.35 H new ATOM 0 HD3 PRO A 77 5.604 3.770 1.258 1.00 31.35 H new ATOM 911 N ASP A 78 3.203 1.927 5.981 1.00 37.07 N ATOM 912 CA ASP A 78 2.264 2.029 7.106 1.00 38.13 C ATOM 913 C ASP A 78 0.807 2.126 6.644 1.00 38.12 C ATOM 914 O ASP A 78 -0.109 1.934 7.440 1.00 41.39 O ATOM 915 CB ASP A 78 2.625 3.211 8.025 1.00 44.12 C ATOM 916 CG ASP A 78 1.716 3.335 9.237 1.00 58.24 C ATOM 917 OD1 ASP A 78 1.812 2.492 10.155 1.00 63.10 O ATOM 918 OD2 ASP A 78 0.907 4.283 9.288 1.00 68.01 O ATOM 0 H ASP A 78 3.539 0.978 5.820 1.00 37.07 H new ATOM 0 HA ASP A 78 2.358 1.105 7.677 1.00 38.13 H new ATOM 0 HB2 ASP A 78 3.655 3.097 8.363 1.00 44.12 H new ATOM 0 HB3 ASP A 78 2.579 4.136 7.450 1.00 44.12 H new ATOM 923 N ASP A 79 0.578 2.381 5.357 1.00 32.78 N ATOM 924 CA ASP A 79 -0.792 2.504 4.851 1.00 31.87 C ATOM 925 C ASP A 79 -1.458 1.141 4.702 1.00 31.67 C ATOM 926 O ASP A 79 -2.675 1.023 4.819 1.00 31.28 O ATOM 927 CB ASP A 79 -0.834 3.246 3.512 1.00 30.43 C ATOM 928 CG ASP A 79 -2.251 3.636 3.116 1.00 37.99 C ATOM 929 OD1 ASP A 79 -3.030 4.043 4.012 1.00 32.65 O ATOM 930 OD2 ASP A 79 -2.588 3.545 1.915 1.00 39.45 O ATOM 0 H ASP A 79 1.307 2.505 4.655 1.00 32.78 H new ATOM 0 HA ASP A 79 -1.346 3.085 5.589 1.00 31.87 H new ATOM 0 HB2 ASP A 79 -0.216 4.142 3.575 1.00 30.43 H new ATOM 0 HB3 ASP A 79 -0.402 2.615 2.735 1.00 30.43 H new ATOM 935 N CYS A 80 -0.665 0.110 4.467 1.00 31.58 N ATOM 936 CA CYS A 80 -1.209 -1.227 4.296 1.00 30.94 C ATOM 937 C CYS A 80 -0.951 -2.110 5.511 1.00 28.98 C ATOM 938 O CYS A 80 -0.034 -1.868 6.298 1.00 31.11 O ATOM 939 CB CYS A 80 -0.630 -1.876 3.041 1.00 31.93 C ATOM 940 SG CYS A 80 -1.545 -1.485 1.534 1.00 37.05 S ATOM 0 H CYS A 80 0.350 0.171 4.391 1.00 31.58 H new ATOM 0 HA CYS A 80 -2.289 -1.128 4.187 1.00 30.94 H new ATOM 0 HB2 CYS A 80 0.405 -1.555 2.921 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -0.615 -2.958 3.176 1.00 31.93 H new ATOM 0 HG CYS A 80 -2.635 -0.846 1.841 1.00 37.05 H new ATOM 946 N GLU A 81 -1.792 -3.121 5.652 1.00 25.38 N ATOM 947 CA GLU A 81 -1.706 -4.080 6.736 1.00 28.86 C ATOM 948 C GLU A 81 -2.099 -5.459 6.217 1.00 26.91 C ATOM 949 O GLU A 81 -3.283 -5.750 6.037 1.00 29.90 O ATOM 950 CB GLU A 81 -2.634 -3.663 7.881 1.00 32.62 C ATOM 951 CG GLU A 81 -2.628 -4.617 9.063 1.00 41.20 C ATOM 952 CD GLU A 81 -3.732 -4.316 10.055 1.00 46.74 C ATOM 953 OE1 GLU A 81 -4.019 -3.122 10.284 1.00 59.83 O ATOM 954 OE2 GLU A 81 -4.321 -5.270 10.603 1.00 54.12 O ATOM 0 H GLU A 81 -2.563 -3.299 5.008 1.00 25.38 H new ATOM 0 HA GLU A 81 -0.684 -4.113 7.113 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -2.343 -2.671 8.227 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -3.651 -3.582 7.499 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -2.737 -5.639 8.701 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -1.664 -4.559 9.568 1.00 41.20 H new ATOM 961 N PHE A 82 -1.105 -6.290 5.938 1.00 27.17 N ATOM 962 CA PHE A 82 -1.357 -7.632 5.437 1.00 24.89 C ATOM 963 C PHE A 82 -1.731 -8.550 6.592 1.00 26.35 C ATOM 964 O PHE A 82 -1.100 -8.508 7.651 1.00 28.01 O ATOM 965 CB PHE A 82 -0.124 -8.164 4.699 1.00 24.82 C ATOM 966 CG PHE A 82 -0.439 -9.193 3.650 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.318 -8.905 2.618 1.00 26.96 C ATOM 968 CD2 PHE A 82 0.148 -10.446 3.693 1.00 25.08 C ATOM 969 CE1 PHE A 82 -1.606 -9.848 1.649 1.00 25.16 C ATOM 970 CE2 PHE A 82 -0.136 -11.394 2.729 1.00 24.61 C ATOM 971 CZ PHE A 82 -1.014 -11.095 1.705 1.00 23.81 C ATOM 0 H PHE A 82 -0.118 -6.058 6.050 1.00 27.17 H new ATOM 0 HA PHE A 82 -2.188 -7.601 4.732 1.00 24.89 H new ATOM 0 HB2 PHE A 82 0.395 -7.328 4.230 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.563 -8.598 5.425 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -1.784 -7.932 2.570 1.00 26.96 H new ATOM 0 HD2 PHE A 82 0.836 -10.685 4.490 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.292 -9.610 0.850 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.328 -12.368 2.776 1.00 24.61 H new ATOM 0 HZ PHE A 82 -1.237 -11.834 0.950 1.00 23.81 H new ATOM 981 N LYS A 83 -2.765 -9.353 6.397 1.00 25.24 N ATOM 982 CA LYS A 83 -3.231 -10.261 7.435 1.00 27.67 C ATOM 983 C LYS A 83 -3.883 -11.494 6.814 1.00 24.72 C ATOM 984 O LYS A 83 -4.187 -11.508 5.623 1.00 26.15 O ATOM 985 CB LYS A 83 -4.230 -9.526 8.337 1.00 34.55 C ATOM 986 CG LYS A 83 -4.327 -10.088 9.746 1.00 49.96 C ATOM 987 CD LYS A 83 -4.584 -8.987 10.766 1.00 44.98 C ATOM 988 CE LYS A 83 -5.941 -8.331 10.558 1.00 55.29 C ATOM 989 NZ LYS A 83 -6.085 -7.091 11.367 1.00 57.71 N ATOM 0 H LYS A 83 -3.299 -9.395 5.529 1.00 25.24 H new ATOM 0 HA LYS A 83 -2.381 -10.592 8.031 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -3.945 -8.476 8.396 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -5.216 -9.563 7.874 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -5.130 -10.823 9.792 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -3.403 -10.609 9.996 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -4.532 -9.404 11.772 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -3.800 -8.233 10.692 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -6.072 -8.093 9.502 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -6.730 -9.034 10.827 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -7.094 -6.870 11.488 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -5.648 -7.232 12.300 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -5.614 -6.302 10.880 1.00 57.71 H new ATOM 1003 N ARG A 84 -4.080 -12.530 7.617 1.00 26.20 N ATOM 1004 CA ARG A 84 -4.709 -13.758 7.149 1.00 24.84 C ATOM 1005 C ARG A 84 -6.060 -13.942 7.831 1.00 26.43 C ATOM 1006 O ARG A 84 -6.241 -13.528 8.978 1.00 28.19 O ATOM 1007 CB ARG A 84 -3.803 -14.963 7.427 1.00 27.68 C ATOM 1008 CG ARG A 84 -4.462 -16.310 7.153 1.00 30.59 C ATOM 1009 CD ARG A 84 -3.453 -17.453 7.171 1.00 38.05 C ATOM 1010 NE ARG A 84 -2.538 -17.376 8.311 1.00 45.74 N ATOM 1011 CZ ARG A 84 -2.819 -17.812 9.542 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -4.000 -18.356 9.810 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -1.915 -17.706 10.507 1.00 51.71 N ATOM 0 H ARG A 84 -3.812 -12.545 8.601 1.00 26.20 H new ATOM 0 HA ARG A 84 -4.864 -13.686 6.072 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -2.905 -14.878 6.815 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.483 -14.932 8.469 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -5.233 -16.495 7.901 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -4.959 -16.280 6.183 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -3.986 -18.403 7.201 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -2.877 -17.439 6.246 1.00 38.05 H new ATOM 0 HE ARG A 84 -1.620 -16.960 8.154 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -4.700 -18.443 9.073 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -4.207 -18.687 10.752 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -1.004 -17.291 10.309 1.00 51.71 H new ATOM 0 HH22 ARG A 84 -2.131 -18.039 11.447 1.00 51.71 H new ATOM 1027 N VAL A 85 -7.006 -14.542 7.123 1.00 26.80 N ATOM 1028 CA VAL A 85 -8.329 -14.778 7.674 1.00 28.35 C ATOM 1029 C VAL A 85 -8.429 -16.209 8.194 1.00 26.05 C ATOM 1030 O VAL A 85 -8.455 -17.160 7.413 1.00 30.08 O ATOM 1031 CB VAL A 85 -9.437 -14.537 6.627 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -10.802 -14.464 7.292 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -9.161 -13.272 5.828 1.00 26.97 C ATOM 0 H VAL A 85 -6.880 -14.873 6.167 1.00 26.80 H new ATOM 0 HA VAL A 85 -8.474 -14.072 8.492 1.00 28.35 H new ATOM 0 HB VAL A 85 -9.439 -15.381 5.938 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -11.567 -14.294 6.535 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -11.006 -15.402 7.809 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -10.813 -13.644 8.010 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -9.955 -13.123 5.097 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -9.124 -12.417 6.502 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -8.206 -13.369 5.312 1.00 26.97 H new ATOM 1043 N PRO A 86 -8.482 -16.384 9.525 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.572 -17.709 10.143 1.00 33.92 C ATOM 1045 C PRO A 86 -9.980 -18.294 10.071 1.00 37.33 C ATOM 1046 O PRO A 86 -10.288 -19.277 10.740 1.00 42.97 O ATOM 1047 CB PRO A 86 -8.174 -17.444 11.593 1.00 38.12 C ATOM 1048 CG PRO A 86 -8.593 -16.038 11.848 1.00 38.96 C ATOM 1049 CD PRO A 86 -8.450 -15.307 10.537 1.00 35.71 C ATOM 0 HA PRO A 86 -7.941 -18.440 9.638 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -8.672 -18.135 12.273 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -7.101 -17.570 11.739 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -9.622 -15.998 12.205 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -7.971 -15.581 12.618 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -9.260 -14.593 10.387 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -7.517 -14.745 10.493 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.828 -17.686 9.253 1.00 34.50 N ATOM 1058 CA GLN A 87 -12.200 -18.148 9.094 1.00 34.12 C ATOM 1059 C GLN A 87 -12.363 -18.858 7.757 1.00 32.97 C ATOM 1060 O GLN A 87 -13.478 -19.163 7.326 1.00 29.14 O ATOM 1061 CB GLN A 87 -13.174 -16.970 9.182 1.00 35.26 C ATOM 1062 CG GLN A 87 -12.915 -16.039 10.358 1.00 42.92 C ATOM 1063 CD GLN A 87 -12.933 -16.754 11.696 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -13.640 -17.745 11.882 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -12.150 -16.254 12.636 1.00 56.31 N ATOM 0 H GLN A 87 -10.590 -16.871 8.689 1.00 34.50 H new ATOM 0 HA GLN A 87 -12.425 -18.849 9.898 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -13.117 -16.395 8.258 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -14.190 -17.357 9.255 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -11.948 -15.554 10.224 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -13.668 -15.251 10.363 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -11.580 -15.431 12.440 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -12.116 -16.691 13.557 1.00 56.31 H new ATOM 1074 N CYS A 88 -11.240 -19.106 7.101 1.00 30.59 N ATOM 1075 CA CYS A 88 -11.237 -19.780 5.812 1.00 30.96 C ATOM 1076 C CYS A 88 -10.761 -21.220 5.966 1.00 32.25 C ATOM 1077 O CYS A 88 -9.630 -21.456 6.386 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.333 -19.031 4.836 1.00 32.19 C ATOM 1079 SG CYS A 88 -10.648 -17.254 4.757 1.00 39.96 S ATOM 0 H CYS A 88 -10.314 -18.849 7.443 1.00 30.59 H new ATOM 0 HA CYS A 88 -12.254 -19.791 5.420 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.294 -19.193 5.122 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.459 -19.456 3.840 1.00 32.19 H new ATOM 0 HG CYS A 88 -10.774 -16.890 3.515 1.00 39.96 H new ATOM 1085 N PRO A 89 -11.623 -22.196 5.624 1.00 33.30 N ATOM 1086 CA PRO A 89 -11.306 -23.633 5.728 1.00 32.59 C ATOM 1087 C PRO A 89 -9.974 -24.018 5.080 1.00 34.13 C ATOM 1088 O PRO A 89 -9.229 -24.840 5.619 1.00 38.31 O ATOM 1089 CB PRO A 89 -12.463 -24.297 4.983 1.00 37.71 C ATOM 1090 CG PRO A 89 -13.601 -23.347 5.125 1.00 38.21 C ATOM 1091 CD PRO A 89 -12.994 -21.972 5.124 1.00 32.90 C ATOM 0 HA PRO A 89 -11.198 -23.938 6.769 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -12.215 -24.464 3.935 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -12.704 -25.270 5.412 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -14.310 -23.461 4.305 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -14.150 -23.531 6.049 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -12.990 -21.537 4.125 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.548 -21.289 5.767 1.00 32.90 H new ATOM 1099 N SER A 90 -9.682 -23.429 3.925 1.00 34.04 N ATOM 1100 CA SER A 90 -8.444 -23.716 3.209 1.00 33.45 C ATOM 1101 C SER A 90 -7.238 -23.137 3.946 1.00 29.83 C ATOM 1102 O SER A 90 -6.166 -23.741 3.983 1.00 32.46 O ATOM 1103 CB SER A 90 -8.522 -23.143 1.794 1.00 33.88 C ATOM 1104 OG SER A 90 -9.046 -21.824 1.812 1.00 33.97 O ATOM 0 H SER A 90 -10.287 -22.749 3.464 1.00 34.04 H new ATOM 0 HA SER A 90 -8.319 -24.797 3.155 1.00 33.45 H new ATOM 0 HB2 SER A 90 -7.529 -23.139 1.343 1.00 33.88 H new ATOM 0 HB3 SER A 90 -9.151 -23.781 1.173 1.00 33.88 H new ATOM 0 HG SER A 90 -9.086 -21.475 0.897 1.00 33.97 H new ATOM 1110 N GLY A 91 -7.421 -21.955 4.520 1.00 27.54 N ATOM 1111 CA GLY A 91 -6.355 -21.302 5.254 1.00 29.96 C ATOM 1112 C GLY A 91 -5.320 -20.662 4.348 1.00 31.42 C ATOM 1113 O GLY A 91 -4.239 -20.289 4.798 1.00 34.09 O ATOM 0 H GLY A 91 -8.297 -21.433 4.489 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.783 -20.539 5.904 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -5.865 -22.032 5.899 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.650 -20.530 3.069 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.729 -19.933 2.106 1.00 24.26 C ATOM 1119 C ARG A 92 -5.231 -18.563 1.667 1.00 23.50 C ATOM 1120 O ARG A 92 -4.681 -17.956 0.748 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.567 -20.833 0.874 1.00 28.75 C ATOM 1122 CG ARG A 92 -4.431 -22.317 1.189 1.00 30.87 C ATOM 1123 CD ARG A 92 -3.216 -22.613 2.061 1.00 25.34 C ATOM 1124 NE ARG A 92 -1.968 -22.096 1.491 1.00 25.37 N ATOM 1125 CZ ARG A 92 -1.315 -22.652 0.470 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -1.810 -23.714 -0.159 1.00 30.43 N ATOM 1127 NH2 ARG A 92 -0.157 -22.143 0.077 1.00 28.83 N ATOM 0 H ARG A 92 -6.543 -20.826 2.675 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.761 -19.824 2.595 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.427 -20.691 0.220 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.687 -20.511 0.317 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -5.332 -22.663 1.695 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -4.353 -22.878 0.258 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -3.368 -22.176 3.048 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -3.128 -23.691 2.200 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.572 -21.252 1.904 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -2.700 -24.114 0.138 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -1.299 -24.129 -0.939 1.00 30.43 H new ATOM 0 HH21 ARG A 92 0.231 -21.330 0.555 1.00 28.83 H new ATOM 0 HH22 ARG A 92 0.347 -22.564 -0.703 1.00 28.83 H new ATOM 1141 N VAL A 93 -6.276 -18.082 2.327 1.00 22.88 N ATOM 1142 CA VAL A 93 -6.859 -16.791 1.993 1.00 22.13 C ATOM 1143 C VAL A 93 -6.286 -15.683 2.870 1.00 21.42 C ATOM 1144 O VAL A 93 -6.426 -15.700 4.096 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.397 -16.810 2.135 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -8.993 -15.460 1.762 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -9.002 -17.917 1.283 1.00 26.59 C ATOM 0 H VAL A 93 -6.737 -18.567 3.097 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.604 -16.591 0.952 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.638 -17.010 3.179 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -10.077 -15.498 1.870 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.590 -14.690 2.420 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.740 -15.223 0.729 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -10.086 -17.913 1.397 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -8.747 -17.751 0.236 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.607 -18.881 1.604 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.634 -14.729 2.228 1.00 22.73 N ATOM 1158 CA TYR A 94 -5.043 -13.602 2.918 1.00 22.99 C ATOM 1159 C TYR A 94 -5.788 -12.326 2.546 1.00 26.07 C ATOM 1160 O TYR A 94 -6.397 -12.246 1.478 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.560 -13.482 2.564 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.683 -14.473 3.300 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.592 -15.800 2.892 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.947 -14.080 4.410 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.795 -16.702 3.572 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -1.149 -14.976 5.093 1.00 23.29 C ATOM 1167 CZ TYR A 94 -1.074 -16.285 4.670 1.00 22.64 C ATOM 1168 OH TYR A 94 -0.281 -17.180 5.350 1.00 28.22 O ATOM 0 H TYR A 94 -5.501 -14.716 1.217 1.00 22.73 H new ATOM 0 HA TYR A 94 -5.125 -13.757 3.994 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -3.438 -13.627 1.491 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -3.221 -12.471 2.790 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -3.153 -16.131 2.030 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -2.000 -13.055 4.745 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -1.738 -17.729 3.244 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.586 -14.652 5.956 1.00 23.29 H new ATOM 0 HH TYR A 94 0.054 -16.762 6.171 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.741 -11.335 3.418 1.00 24.99 N ATOM 1179 CA VAL A 95 -6.433 -10.081 3.176 1.00 23.89 C ATOM 1180 C VAL A 95 -5.513 -8.881 3.396 1.00 23.26 C ATOM 1181 O VAL A 95 -4.711 -8.851 4.332 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.692 -9.954 4.074 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -7.324 -9.996 5.550 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.470 -8.682 3.758 1.00 25.26 C ATOM 0 H VAL A 95 -5.231 -11.374 4.300 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.747 -10.086 2.132 1.00 23.89 H new ATOM 0 HB VAL A 95 -8.332 -10.809 3.857 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -8.227 -9.905 6.153 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -6.831 -10.942 5.775 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -6.649 -9.172 5.780 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -9.346 -8.622 4.403 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -7.833 -7.814 3.929 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.788 -8.699 2.715 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.614 -7.911 2.503 1.00 23.86 N ATOM 1195 CA LEU A 96 -4.829 -6.693 2.594 1.00 23.96 C ATOM 1196 C LEU A 96 -5.719 -5.572 3.109 1.00 23.08 C ATOM 1197 O LEU A 96 -6.619 -5.109 2.407 1.00 24.63 O ATOM 1198 CB LEU A 96 -4.242 -6.324 1.226 1.00 22.80 C ATOM 1199 CG LEU A 96 -3.331 -5.091 1.211 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -2.057 -5.352 1.997 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -3.004 -4.687 -0.219 1.00 30.96 C ATOM 0 H LEU A 96 -6.240 -7.946 1.698 1.00 23.86 H new ATOM 0 HA LEU A 96 -3.998 -6.848 3.283 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.677 -7.177 0.850 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -5.064 -6.155 0.531 1.00 22.80 H new ATOM 0 HG LEU A 96 -3.863 -4.268 1.689 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -1.426 -4.464 1.973 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -2.309 -5.590 3.030 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.521 -6.190 1.553 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -2.357 -3.810 -0.210 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -2.495 -5.509 -0.722 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -3.926 -4.452 -0.751 1.00 30.96 H new ATOM 1213 N LYS A 97 -5.487 -5.163 4.343 1.00 24.23 N ATOM 1214 CA LYS A 97 -6.276 -4.113 4.960 1.00 27.23 C ATOM 1215 C LYS A 97 -5.575 -2.768 4.852 1.00 29.52 C ATOM 1216 O LYS A 97 -4.412 -2.633 5.222 1.00 33.87 O ATOM 1217 CB LYS A 97 -6.540 -4.457 6.430 1.00 30.73 C ATOM 1218 CG LYS A 97 -7.022 -3.280 7.268 1.00 37.27 C ATOM 1219 CD LYS A 97 -7.170 -3.667 8.730 1.00 43.28 C ATOM 1220 CE LYS A 97 -7.344 -2.447 9.621 1.00 47.29 C ATOM 1221 NZ LYS A 97 -6.100 -1.637 9.710 1.00 53.53 N ATOM 0 H LYS A 97 -4.754 -5.545 4.941 1.00 24.23 H new ATOM 0 HA LYS A 97 -7.227 -4.041 4.431 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -7.284 -5.252 6.478 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -5.624 -4.851 6.870 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -6.317 -2.454 7.178 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -7.979 -2.926 6.885 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -8.029 -4.328 8.846 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -6.291 -4.228 9.049 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -8.152 -1.827 9.233 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -7.640 -2.767 10.620 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -6.108 -1.085 10.591 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -5.274 -2.268 9.704 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -6.047 -0.991 8.897 1.00 53.53 H new ATOM 1235 N PHE A 98 -6.280 -1.784 4.324 1.00 28.54 N ATOM 1236 CA PHE A 98 -5.737 -0.444 4.190 1.00 32.00 C ATOM 1237 C PHE A 98 -6.095 0.379 5.420 1.00 41.30 C ATOM 1238 O PHE A 98 -7.252 0.386 5.849 1.00 40.71 O ATOM 1239 CB PHE A 98 -6.288 0.238 2.933 1.00 34.75 C ATOM 1240 CG PHE A 98 -5.800 -0.363 1.646 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -6.373 -1.521 1.143 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -4.776 0.235 0.935 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -5.932 -2.069 -0.045 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -4.332 -0.309 -0.254 1.00 37.59 C ATOM 1245 CZ PHE A 98 -4.911 -1.462 -0.743 1.00 41.72 C ATOM 0 H PHE A 98 -7.234 -1.888 3.979 1.00 28.54 H new ATOM 0 HA PHE A 98 -4.653 -0.514 4.101 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -7.377 0.190 2.954 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -6.015 1.293 2.956 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -7.174 -2.000 1.687 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -4.319 1.137 1.314 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -6.386 -2.972 -0.426 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -3.532 0.168 -0.801 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.564 -1.888 -1.673 1.00 41.72 H new ATOM 1255 N LYS A 99 -5.106 1.048 5.999 1.00 39.61 N ATOM 1256 CA LYS A 99 -5.337 1.876 7.174 1.00 51.59 C ATOM 1257 C LYS A 99 -6.180 3.085 6.790 1.00 53.57 C ATOM 1258 O LYS A 99 -7.137 3.436 7.480 1.00 58.09 O ATOM 1259 CB LYS A 99 -4.017 2.333 7.796 1.00 54.03 C ATOM 1260 CG LYS A 99 -3.309 1.260 8.609 1.00 57.71 C ATOM 1261 CD LYS A 99 -2.306 1.877 9.574 1.00 58.04 C ATOM 1262 CE LYS A 99 -1.453 0.824 10.262 1.00 58.77 C ATOM 1263 NZ LYS A 99 -0.487 1.430 11.218 1.00 59.82 N ATOM 0 H LYS A 99 -4.139 1.033 5.675 1.00 39.61 H new ATOM 0 HA LYS A 99 -5.869 1.280 7.916 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -3.351 2.670 7.002 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -4.209 3.193 8.438 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -4.043 0.677 9.166 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -2.796 0.570 7.939 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -1.661 2.569 9.032 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -2.838 2.460 10.326 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -2.098 0.124 10.793 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -0.909 0.250 9.512 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 -0.276 0.750 11.976 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 0.391 1.673 10.717 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 -0.900 2.291 11.630 1.00 59.82 H new ATOM 1277 N ALA A 100 -5.823 3.710 5.677 1.00 57.45 N ATOM 1278 CA ALA A 100 -6.557 4.860 5.181 1.00 59.65 C ATOM 1279 C ALA A 100 -7.654 4.386 4.238 1.00 62.53 C ATOM 1280 O ALA A 100 -7.434 3.486 3.430 1.00 66.68 O ATOM 1281 CB ALA A 100 -5.620 5.833 4.478 1.00 58.23 C ATOM 0 H ALA A 100 -5.027 3.437 5.101 1.00 57.45 H new ATOM 0 HA ALA A 100 -7.011 5.387 6.020 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -6.190 6.688 4.114 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -4.859 6.176 5.179 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -5.140 5.332 3.637 1.00 58.23 H new ATOM 1287 N GLY A 101 -8.842 4.958 4.370 1.00 63.08 N ATOM 1288 CA GLY A 101 -9.953 4.568 3.518 1.00 61.32 C ATOM 1289 C GLY A 101 -10.648 3.315 4.017 1.00 61.66 C ATOM 1290 O GLY A 101 -11.843 3.126 3.777 1.00 64.05 O ATOM 0 H GLY A 101 -9.059 5.686 5.051 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -10.673 5.385 3.467 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -9.589 4.400 2.504 1.00 61.32 H new ATOM 1294 N SER A 102 -9.889 2.461 4.706 1.00 58.97 N ATOM 1295 CA SER A 102 -10.399 1.212 5.269 1.00 58.40 C ATOM 1296 C SER A 102 -10.773 0.208 4.177 1.00 54.28 C ATOM 1297 O SER A 102 -11.706 -0.583 4.333 1.00 53.70 O ATOM 1298 CB SER A 102 -11.592 1.493 6.188 1.00 61.16 C ATOM 1299 OG SER A 102 -11.213 2.347 7.257 1.00 65.44 O ATOM 0 H SER A 102 -8.898 2.618 4.889 1.00 58.97 H new ATOM 0 HA SER A 102 -9.601 0.761 5.859 1.00 58.40 H new ATOM 0 HB2 SER A 102 -12.397 1.954 5.616 1.00 61.16 H new ATOM 0 HB3 SER A 102 -11.980 0.555 6.585 1.00 61.16 H new ATOM 0 HG SER A 102 -11.989 2.516 7.832 1.00 65.44 H new ATOM 1305 N LYS A 103 -10.024 0.223 3.084 1.00 42.18 N ATOM 1306 CA LYS A 103 -10.268 -0.689 1.972 1.00 39.27 C ATOM 1307 C LYS A 103 -9.666 -2.062 2.280 1.00 32.13 C ATOM 1308 O LYS A 103 -8.747 -2.174 3.093 1.00 30.46 O ATOM 1309 CB LYS A 103 -9.670 -0.108 0.685 1.00 41.30 C ATOM 1310 CG LYS A 103 -10.056 -0.860 -0.580 1.00 45.61 C ATOM 1311 CD LYS A 103 -9.663 -0.083 -1.829 1.00 48.56 C ATOM 1312 CE LYS A 103 -9.871 -0.907 -3.090 1.00 52.94 C ATOM 1313 NZ LYS A 103 -9.784 -0.077 -4.321 1.00 56.96 N ATOM 0 H LYS A 103 -9.239 0.859 2.942 1.00 42.18 H new ATOM 0 HA LYS A 103 -11.342 -0.810 1.832 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -9.987 0.930 0.587 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -8.584 -0.103 0.773 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -9.570 -1.835 -0.588 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -11.131 -1.040 -0.585 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -10.253 0.831 -1.890 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -8.617 0.216 -1.758 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -9.123 -1.698 -3.133 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -10.846 -1.392 -3.049 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -9.932 -0.679 -5.156 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -10.515 0.663 -4.293 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -8.845 0.366 -4.375 1.00 56.96 H new ATOM 1327 N ARG A 104 -10.205 -3.105 1.657 1.00 31.79 N ATOM 1328 CA ARG A 104 -9.718 -4.465 1.868 1.00 29.38 C ATOM 1329 C ARG A 104 -9.645 -5.229 0.549 1.00 27.45 C ATOM 1330 O ARG A 104 -10.488 -5.045 -0.330 1.00 30.91 O ATOM 1331 CB ARG A 104 -10.636 -5.223 2.834 1.00 29.71 C ATOM 1332 CG ARG A 104 -10.204 -5.165 4.290 1.00 34.22 C ATOM 1333 CD ARG A 104 -10.825 -3.983 5.013 1.00 37.47 C ATOM 1334 NE ARG A 104 -10.791 -4.152 6.464 1.00 40.87 N ATOM 1335 CZ ARG A 104 -10.886 -3.146 7.334 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -11.042 -1.904 6.901 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -10.845 -3.389 8.636 1.00 45.95 N ATOM 0 H ARG A 104 -10.982 -3.035 1.000 1.00 31.79 H new ATOM 0 HA ARG A 104 -8.718 -4.393 2.296 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -11.644 -4.817 2.751 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -10.686 -6.267 2.524 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -10.490 -6.090 4.792 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -9.118 -5.095 4.345 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -10.293 -3.071 4.741 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -11.857 -3.859 4.686 1.00 37.47 H new ATOM 0 HE ARG A 104 -10.688 -5.097 6.834 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -11.090 -1.715 5.900 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -11.114 -1.136 7.569 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -10.741 -4.346 8.973 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -10.918 -2.619 9.301 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.624 -6.066 0.414 1.00 23.75 N ATOM 1352 CA LEU A 105 -8.438 -6.889 -0.781 1.00 24.35 C ATOM 1353 C LEU A 105 -8.150 -8.326 -0.367 1.00 24.13 C ATOM 1354 O LEU A 105 -7.438 -8.554 0.605 1.00 23.73 O ATOM 1355 CB LEU A 105 -7.290 -6.350 -1.644 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.562 -5.010 -2.330 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.307 -4.500 -3.021 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.701 -5.139 -3.331 1.00 35.88 C ATOM 0 H LEU A 105 -7.903 -6.195 1.124 1.00 23.75 H new ATOM 0 HA LEU A 105 -9.352 -6.856 -1.374 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -6.404 -6.246 -1.017 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -7.054 -7.090 -2.409 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.855 -4.290 -1.566 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.519 -3.546 -3.503 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.515 -4.366 -2.284 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -5.986 -5.222 -3.771 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.878 -4.175 -3.807 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.437 -5.876 -4.090 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.605 -5.459 -2.814 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.700 -9.289 -1.095 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.504 -10.697 -0.764 1.00 21.33 C ATOM 1372 C PHE A 106 -7.660 -11.402 -1.818 1.00 21.73 C ATOM 1373 O PHE A 106 -7.821 -11.166 -3.015 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.852 -11.406 -0.627 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.768 -10.782 0.390 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -10.707 -11.159 1.724 1.00 23.36 C ATOM 1377 CD2 PHE A 106 -11.689 -9.819 0.012 1.00 24.62 C ATOM 1378 CE1 PHE A 106 -11.549 -10.585 2.659 1.00 24.37 C ATOM 1379 CE2 PHE A 106 -12.532 -9.243 0.942 1.00 25.44 C ATOM 1380 CZ PHE A 106 -12.462 -9.626 2.267 1.00 26.43 C ATOM 0 H PHE A 106 -9.283 -9.124 -1.915 1.00 21.94 H new ATOM 0 HA PHE A 106 -7.974 -10.741 0.188 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.350 -11.409 -1.597 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.678 -12.447 -0.355 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -9.995 -11.909 2.035 1.00 23.36 H new ATOM 0 HD2 PHE A 106 -11.749 -9.515 -1.023 1.00 24.62 H new ATOM 0 HE1 PHE A 106 -11.493 -10.886 3.695 1.00 24.37 H new ATOM 0 HE2 PHE A 106 -13.246 -8.493 0.633 1.00 25.44 H new ATOM 0 HZ PHE A 106 -13.120 -9.176 2.995 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.757 -12.262 -1.361 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.883 -13.023 -2.248 1.00 20.70 C ATOM 1392 C PHE A 107 -5.675 -14.427 -1.694 1.00 23.14 C ATOM 1393 O PHE A 107 -5.763 -14.639 -0.486 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.521 -12.332 -2.390 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.544 -11.080 -3.220 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.676 -11.152 -4.597 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.424 -9.835 -2.625 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.689 -10.005 -5.365 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.439 -8.683 -3.389 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.571 -8.769 -4.763 1.00 23.57 C ATOM 0 H PHE A 107 -6.610 -12.451 -0.370 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.357 -13.079 -3.228 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -4.146 -12.088 -1.396 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.815 -13.034 -2.833 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -4.770 -12.116 -5.075 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.318 -9.763 -1.553 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -4.792 -10.075 -6.438 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.348 -7.717 -2.914 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.582 -7.871 -5.363 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.413 -15.384 -2.569 1.00 23.10 N ATOM 1411 CA TRP A 108 -5.179 -16.750 -2.135 1.00 21.46 C ATOM 1412 C TRP A 108 -3.845 -17.252 -2.674 1.00 22.39 C ATOM 1413 O TRP A 108 -3.548 -17.099 -3.860 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.335 -17.680 -2.548 1.00 25.96 C ATOM 1415 CG TRP A 108 -6.632 -17.707 -4.020 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.315 -16.771 -4.740 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.275 -18.740 -4.946 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.395 -17.151 -6.057 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -6.763 -18.357 -6.208 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -5.585 -19.949 -4.829 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -6.581 -19.140 -7.345 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -5.406 -20.726 -5.957 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -5.903 -20.319 -7.201 1.00 28.29 C ATOM 0 H TRP A 108 -5.357 -15.241 -3.577 1.00 23.10 H new ATOM 0 HA TRP A 108 -5.136 -16.759 -1.046 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -6.101 -18.693 -2.221 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -7.236 -17.374 -2.016 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -7.733 -15.862 -4.333 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -7.850 -16.622 -6.801 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.198 -20.271 -3.873 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -6.962 -18.827 -8.306 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -4.874 -21.663 -5.878 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -5.748 -20.949 -8.064 1.00 28.29 H new ATOM 1434 N MET A 109 -3.040 -17.827 -1.789 1.00 22.47 N ATOM 1435 CA MET A 109 -1.727 -18.339 -2.162 1.00 22.63 C ATOM 1436 C MET A 109 -1.850 -19.551 -3.076 1.00 23.51 C ATOM 1437 O MET A 109 -2.630 -20.466 -2.809 1.00 25.87 O ATOM 1438 CB MET A 109 -0.920 -18.718 -0.918 1.00 22.83 C ATOM 1439 CG MET A 109 -0.552 -17.534 -0.037 1.00 24.26 C ATOM 1440 SD MET A 109 0.625 -16.414 -0.823 1.00 28.54 S ATOM 1441 CE MET A 109 0.782 -15.158 0.445 1.00 27.29 C ATOM 0 H MET A 109 -3.275 -17.951 -0.804 1.00 22.47 H new ATOM 0 HA MET A 109 -1.207 -17.546 -2.699 1.00 22.63 H new ATOM 0 HB2 MET A 109 -1.494 -19.432 -0.328 1.00 22.83 H new ATOM 0 HB3 MET A 109 -0.006 -19.224 -1.230 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.457 -16.982 0.218 1.00 24.26 H new ATOM 0 HG3 MET A 109 -0.128 -17.901 0.898 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.479 -14.389 0.111 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.192 -14.708 0.634 1.00 27.29 H new ATOM 0 HE3 MET A 109 1.155 -15.612 1.363 1.00 27.29 H new ATOM 1451 N GLN A 110 -1.075 -19.551 -4.151 1.00 23.09 N ATOM 1452 CA GLN A 110 -1.087 -20.652 -5.108 1.00 24.00 C ATOM 1453 C GLN A 110 0.079 -21.599 -4.845 1.00 32.58 C ATOM 1454 O GLN A 110 0.394 -22.461 -5.664 1.00 41.60 O ATOM 1455 CB GLN A 110 -1.012 -20.111 -6.537 1.00 22.67 C ATOM 1456 CG GLN A 110 -2.269 -19.374 -6.968 1.00 25.04 C ATOM 1457 CD GLN A 110 -2.167 -18.798 -8.367 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -1.093 -18.403 -8.814 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -3.291 -18.748 -9.069 1.00 24.22 N ATOM 0 H GLN A 110 -0.427 -18.799 -4.384 1.00 23.09 H new ATOM 0 HA GLN A 110 -2.019 -21.205 -4.988 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -0.159 -19.438 -6.619 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -0.832 -20.939 -7.222 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -3.117 -20.057 -6.923 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -2.471 -18.568 -6.263 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -4.163 -19.086 -8.661 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -3.284 -18.371 -10.017 1.00 24.22 H new ATOM 1468 N GLU A 111 0.715 -21.425 -3.697 1.00 34.19 N ATOM 1469 CA GLU A 111 1.845 -22.255 -3.308 1.00 41.70 C ATOM 1470 C GLU A 111 1.360 -23.641 -2.886 1.00 40.45 C ATOM 1471 O GLU A 111 0.404 -23.762 -2.120 1.00 39.75 O ATOM 1472 CB GLU A 111 2.616 -21.591 -2.164 1.00 41.38 C ATOM 1473 CG GLU A 111 3.066 -20.172 -2.477 1.00 49.79 C ATOM 1474 CD GLU A 111 4.357 -20.126 -3.269 1.00 48.44 C ATOM 1475 OE1 GLU A 111 4.504 -20.906 -4.235 1.00 32.00 O ATOM 1476 OE2 GLU A 111 5.240 -19.313 -2.923 1.00 43.83 O ATOM 0 H GLU A 111 0.465 -20.710 -3.013 1.00 34.19 H new ATOM 0 HA GLU A 111 2.513 -22.365 -4.163 1.00 41.70 H new ATOM 0 HB2 GLU A 111 1.987 -21.576 -1.274 1.00 41.38 H new ATOM 0 HB3 GLU A 111 3.491 -22.197 -1.926 1.00 41.38 H new ATOM 0 HG2 GLU A 111 2.283 -19.663 -3.038 1.00 49.79 H new ATOM 0 HG3 GLU A 111 3.198 -19.624 -1.544 1.00 49.79 H new ATOM 1483 N PRO A 112 2.014 -24.705 -3.378 1.00 48.55 N ATOM 1484 CA PRO A 112 1.633 -26.091 -3.058 1.00 46.93 C ATOM 1485 C PRO A 112 1.881 -26.459 -1.595 1.00 45.48 C ATOM 1486 O PRO A 112 1.313 -27.425 -1.082 1.00 48.59 O ATOM 1487 CB PRO A 112 2.523 -26.927 -3.978 1.00 49.91 C ATOM 1488 CG PRO A 112 3.689 -26.053 -4.285 1.00 50.19 C ATOM 1489 CD PRO A 112 3.162 -24.645 -4.297 1.00 49.44 C ATOM 0 HA PRO A 112 0.565 -26.255 -3.205 1.00 46.93 H new ATOM 0 HB2 PRO A 112 2.839 -27.849 -3.490 1.00 49.91 H new ATOM 0 HB3 PRO A 112 1.993 -27.212 -4.887 1.00 49.91 H new ATOM 0 HG2 PRO A 112 4.472 -26.170 -3.536 1.00 50.19 H new ATOM 0 HG3 PRO A 112 4.128 -26.313 -5.248 1.00 50.19 H new ATOM 0 HD2 PRO A 112 3.913 -23.932 -3.957 1.00 49.44 H new ATOM 0 HD3 PRO A 112 2.860 -24.337 -5.298 1.00 49.44 H new ATOM 1497 N LYS A 113 2.728 -25.692 -0.929 1.00 45.43 N ATOM 1498 CA LYS A 113 3.041 -25.938 0.468 1.00 45.69 C ATOM 1499 C LYS A 113 2.728 -24.703 1.297 1.00 44.46 C ATOM 1500 O LYS A 113 2.759 -23.586 0.784 1.00 42.11 O ATOM 1501 CB LYS A 113 4.514 -26.315 0.636 1.00 48.90 C ATOM 1502 CG LYS A 113 4.842 -27.727 0.180 1.00 48.99 C ATOM 1503 CD LYS A 113 6.208 -28.161 0.679 1.00 65.37 C ATOM 1504 CE LYS A 113 6.491 -29.615 0.344 1.00 71.52 C ATOM 1505 NZ LYS A 113 7.609 -30.165 1.151 1.00 69.62 N ATOM 0 H LYS A 113 3.212 -24.891 -1.335 1.00 45.43 H new ATOM 0 HA LYS A 113 2.428 -26.770 0.815 1.00 45.69 H new ATOM 0 HB2 LYS A 113 5.126 -25.610 0.073 1.00 48.90 H new ATOM 0 HB3 LYS A 113 4.789 -26.209 1.685 1.00 48.90 H new ATOM 0 HG2 LYS A 113 4.082 -28.416 0.547 1.00 48.99 H new ATOM 0 HG3 LYS A 113 4.817 -27.775 -0.909 1.00 48.99 H new ATOM 0 HD2 LYS A 113 6.976 -27.529 0.234 1.00 65.37 H new ATOM 0 HD3 LYS A 113 6.264 -28.018 1.758 1.00 65.37 H new ATOM 0 HE2 LYS A 113 5.593 -30.208 0.517 1.00 71.52 H new ATOM 0 HE3 LYS A 113 6.732 -29.703 -0.716 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 7.769 -31.159 0.891 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 8.473 -29.616 0.967 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 7.370 -30.106 2.161 1.00 69.62 H new ATOM 1519 N THR A 114 2.428 -24.906 2.570 1.00 40.64 N ATOM 1520 CA THR A 114 2.110 -23.808 3.477 1.00 36.42 C ATOM 1521 C THR A 114 3.335 -23.408 4.292 1.00 31.64 C ATOM 1522 O THR A 114 3.259 -22.545 5.170 1.00 32.89 O ATOM 1523 CB THR A 114 0.981 -24.210 4.442 1.00 39.21 C ATOM 1524 OG1 THR A 114 1.146 -25.575 4.846 1.00 43.02 O ATOM 1525 CG2 THR A 114 -0.379 -24.036 3.793 1.00 38.60 C ATOM 0 H THR A 114 2.397 -25.829 3.004 1.00 40.64 H new ATOM 0 HA THR A 114 1.787 -22.963 2.869 1.00 36.42 H new ATOM 0 HB THR A 114 1.035 -23.559 5.315 1.00 39.21 H new ATOM 0 HG1 THR A 114 0.425 -25.823 5.461 1.00 43.02 H new ATOM 0 HG21 THR A 114 -1.158 -24.327 4.497 1.00 38.60 H new ATOM 0 HG22 THR A 114 -0.517 -22.992 3.511 1.00 38.60 H new ATOM 0 HG23 THR A 114 -0.441 -24.663 2.904 1.00 38.60 H new ATOM 1533 N ASP A 115 4.463 -24.034 3.973 1.00 30.92 N ATOM 1534 CA ASP A 115 5.728 -23.800 4.669 1.00 38.80 C ATOM 1535 C ASP A 115 6.171 -22.342 4.617 1.00 35.23 C ATOM 1536 O ASP A 115 6.821 -21.857 5.544 1.00 36.70 O ATOM 1537 CB ASP A 115 6.830 -24.680 4.072 1.00 44.02 C ATOM 1538 CG ASP A 115 6.682 -26.142 4.438 1.00 54.03 C ATOM 1539 OD1 ASP A 115 5.823 -26.823 3.845 1.00 54.30 O ATOM 1540 OD2 ASP A 115 7.431 -26.622 5.317 1.00 66.15 O ATOM 0 H ASP A 115 4.528 -24.721 3.222 1.00 30.92 H new ATOM 0 HA ASP A 115 5.559 -24.058 5.715 1.00 38.80 H new ATOM 0 HB2 ASP A 115 6.819 -24.580 2.987 1.00 44.02 H new ATOM 0 HB3 ASP A 115 7.800 -24.321 4.416 1.00 44.02 H new ATOM 1545 N GLN A 116 5.830 -21.639 3.548 1.00 32.65 N ATOM 1546 CA GLN A 116 6.233 -20.246 3.411 1.00 32.85 C ATOM 1547 C GLN A 116 5.034 -19.319 3.290 1.00 25.51 C ATOM 1548 O GLN A 116 5.183 -18.165 2.894 1.00 27.64 O ATOM 1549 CB GLN A 116 7.139 -20.073 2.193 1.00 36.33 C ATOM 1550 CG GLN A 116 8.526 -20.651 2.384 1.00 43.53 C ATOM 1551 CD GLN A 116 9.347 -20.597 1.116 1.00 46.84 C ATOM 1552 OE1 GLN A 116 9.182 -19.701 0.288 1.00 54.73 O ATOM 1553 NE2 GLN A 116 10.237 -21.554 0.951 1.00 50.07 N ATOM 0 H GLN A 116 5.281 -22.004 2.770 1.00 32.65 H new ATOM 0 HA GLN A 116 6.779 -19.976 4.315 1.00 32.85 H new ATOM 0 HB2 GLN A 116 6.671 -20.549 1.332 1.00 36.33 H new ATOM 0 HB3 GLN A 116 7.225 -19.011 1.962 1.00 36.33 H new ATOM 0 HG2 GLN A 116 9.041 -20.102 3.172 1.00 43.53 H new ATOM 0 HG3 GLN A 116 8.444 -21.685 2.718 1.00 43.53 H new ATOM 0 HE21 GLN A 116 10.344 -22.279 1.660 1.00 50.07 H new ATOM 0 HE22 GLN A 116 10.819 -21.570 0.114 1.00 50.07 H new ATOM 1562 N ASP A 117 3.857 -19.807 3.652 1.00 25.38 N ATOM 1563 CA ASP A 117 2.643 -19.000 3.558 1.00 24.59 C ATOM 1564 C ASP A 117 2.721 -17.809 4.505 1.00 23.14 C ATOM 1565 O ASP A 117 2.633 -16.654 4.079 1.00 23.30 O ATOM 1566 CB ASP A 117 1.409 -19.845 3.864 1.00 24.94 C ATOM 1567 CG ASP A 117 0.589 -20.140 2.626 1.00 26.91 C ATOM 1568 OD1 ASP A 117 1.184 -20.377 1.551 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -0.655 -20.160 2.725 1.00 29.31 O ATOM 0 H ASP A 117 3.714 -20.751 4.012 1.00 25.38 H new ATOM 0 HA ASP A 117 2.558 -18.627 2.537 1.00 24.59 H new ATOM 0 HB2 ASP A 117 1.720 -20.784 4.323 1.00 24.94 H new ATOM 0 HB3 ASP A 117 0.787 -19.325 4.593 1.00 24.94 H new ATOM 1574 N GLU A 118 2.923 -18.093 5.787 1.00 27.03 N ATOM 1575 CA GLU A 118 3.034 -17.045 6.791 1.00 26.55 C ATOM 1576 C GLU A 118 4.299 -16.238 6.553 1.00 23.71 C ATOM 1577 O GLU A 118 4.345 -15.037 6.817 1.00 25.11 O ATOM 1578 CB GLU A 118 3.051 -17.643 8.196 1.00 32.75 C ATOM 1579 CG GLU A 118 1.703 -18.173 8.640 1.00 36.67 C ATOM 1580 CD GLU A 118 0.707 -17.067 8.900 1.00 51.49 C ATOM 1581 OE1 GLU A 118 0.023 -16.635 7.951 1.00 49.04 O ATOM 1582 OE2 GLU A 118 0.593 -16.626 10.062 1.00 61.12 O ATOM 0 H GLU A 118 3.013 -19.040 6.154 1.00 27.03 H new ATOM 0 HA GLU A 118 2.167 -16.389 6.708 1.00 26.55 H new ATOM 0 HB2 GLU A 118 3.780 -18.452 8.230 1.00 32.75 H new ATOM 0 HB3 GLU A 118 3.385 -16.883 8.902 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.308 -18.841 7.875 1.00 36.67 H new ATOM 0 HG3 GLU A 118 1.829 -18.765 9.546 1.00 36.67 H new ATOM 1589 N GLU A 119 5.327 -16.914 6.047 1.00 24.14 N ATOM 1590 CA GLU A 119 6.595 -16.271 5.741 1.00 26.98 C ATOM 1591 C GLU A 119 6.381 -15.192 4.685 1.00 25.13 C ATOM 1592 O GLU A 119 6.885 -14.076 4.814 1.00 27.83 O ATOM 1593 CB GLU A 119 7.611 -17.304 5.254 1.00 28.20 C ATOM 1594 CG GLU A 119 9.046 -16.802 5.254 1.00 27.24 C ATOM 1595 CD GLU A 119 9.598 -16.583 6.651 1.00 28.47 C ATOM 1596 OE1 GLU A 119 8.901 -16.901 7.640 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.740 -16.094 6.771 1.00 30.36 O ATOM 0 H GLU A 119 5.303 -17.913 5.840 1.00 24.14 H new ATOM 0 HA GLU A 119 6.988 -15.807 6.646 1.00 26.98 H new ATOM 0 HB2 GLU A 119 7.546 -18.190 5.886 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.344 -17.613 4.243 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.676 -17.520 4.729 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.098 -15.866 4.698 1.00 27.24 H new ATOM 1604 N HIS A 120 5.614 -15.532 3.646 1.00 21.73 N ATOM 1605 CA HIS A 120 5.303 -14.588 2.579 1.00 22.27 C ATOM 1606 C HIS A 120 4.591 -13.379 3.167 1.00 22.52 C ATOM 1607 O HIS A 120 4.913 -12.237 2.850 1.00 24.30 O ATOM 1608 CB HIS A 120 4.404 -15.225 1.510 1.00 22.36 C ATOM 1609 CG HIS A 120 5.088 -16.207 0.603 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.438 -16.181 0.326 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.585 -17.251 -0.101 1.00 27.13 C ATOM 1612 CE1 HIS A 120 6.733 -17.164 -0.507 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.627 -17.827 -0.782 1.00 30.38 N ATOM 0 H HIS A 120 5.198 -16.456 3.524 1.00 21.73 H new ATOM 0 HA HIS A 120 6.240 -14.290 2.109 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.576 -15.730 2.008 1.00 22.36 H new ATOM 0 HB3 HIS A 120 3.973 -14.431 0.900 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.553 -17.570 -0.122 1.00 27.13 H new ATOM 0 HE1 HIS A 120 7.715 -17.387 -0.897 1.00 30.02 H new ATOM 0 HE2 HIS A 120 5.558 -18.636 -1.400 1.00 30.38 H new ATOM 1622 N CYS A 121 3.628 -13.652 4.041 1.00 21.37 N ATOM 1623 CA CYS A 121 2.855 -12.610 4.695 1.00 22.64 C ATOM 1624 C CYS A 121 3.761 -11.667 5.481 1.00 24.68 C ATOM 1625 O CYS A 121 3.735 -10.454 5.276 1.00 24.70 O ATOM 1626 CB CYS A 121 1.817 -13.239 5.630 1.00 26.11 C ATOM 1627 SG CYS A 121 0.907 -12.053 6.649 1.00 28.52 S ATOM 0 H CYS A 121 3.364 -14.599 4.313 1.00 21.37 H new ATOM 0 HA CYS A 121 2.345 -12.030 3.926 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.104 -13.806 5.031 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.320 -13.950 6.285 1.00 26.11 H new ATOM 0 HG CYS A 121 1.572 -10.938 6.715 1.00 28.52 H new ATOM 1633 N ARG A 122 4.574 -12.237 6.363 1.00 25.35 N ATOM 1634 CA ARG A 122 5.479 -11.451 7.196 1.00 25.95 C ATOM 1635 C ARG A 122 6.404 -10.580 6.347 1.00 23.36 C ATOM 1636 O ARG A 122 6.647 -9.419 6.677 1.00 26.33 O ATOM 1637 CB ARG A 122 6.294 -12.367 8.108 1.00 27.25 C ATOM 1638 CG ARG A 122 5.450 -13.070 9.161 1.00 37.10 C ATOM 1639 CD ARG A 122 6.293 -13.931 10.084 1.00 28.22 C ATOM 1640 NE ARG A 122 6.744 -15.164 9.439 1.00 35.74 N ATOM 1641 CZ ARG A 122 6.234 -16.372 9.693 1.00 30.48 C ATOM 1642 NH1 ARG A 122 5.228 -16.516 10.549 1.00 31.71 N ATOM 1643 NH2 ARG A 122 6.726 -17.440 9.082 1.00 40.70 N ATOM 0 H ARG A 122 4.626 -13.243 6.521 1.00 25.35 H new ATOM 0 HA ARG A 122 4.874 -10.788 7.814 1.00 25.95 H new ATOM 0 HB2 ARG A 122 6.802 -13.115 7.500 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.067 -11.780 8.604 1.00 27.25 H new ATOM 0 HG2 ARG A 122 4.912 -12.327 9.750 1.00 37.10 H new ATOM 0 HG3 ARG A 122 4.701 -13.691 8.670 1.00 37.10 H new ATOM 0 HD2 ARG A 122 7.160 -13.361 10.417 1.00 28.22 H new ATOM 0 HD3 ARG A 122 5.714 -14.180 10.973 1.00 28.22 H new ATOM 0 HE ARG A 122 7.495 -15.097 8.752 1.00 35.74 H new ATOM 0 HH11 ARG A 122 4.838 -15.699 11.019 1.00 31.71 H new ATOM 0 HH12 ARG A 122 4.846 -17.443 10.736 1.00 31.71 H new ATOM 0 HH21 ARG A 122 7.494 -17.339 8.418 1.00 40.70 H new ATOM 0 HH22 ARG A 122 6.337 -18.363 9.276 1.00 40.70 H new ATOM 1657 N LYS A 123 6.903 -11.137 5.248 1.00 22.81 N ATOM 1658 CA LYS A 123 7.785 -10.402 4.352 1.00 24.60 C ATOM 1659 C LYS A 123 7.059 -9.208 3.747 1.00 24.94 C ATOM 1660 O LYS A 123 7.605 -8.107 3.686 1.00 25.77 O ATOM 1661 CB LYS A 123 8.307 -11.313 3.242 1.00 27.36 C ATOM 1662 CG LYS A 123 9.310 -12.345 3.729 1.00 28.78 C ATOM 1663 CD LYS A 123 9.884 -13.150 2.576 1.00 35.71 C ATOM 1664 CE LYS A 123 11.041 -14.027 3.030 1.00 44.84 C ATOM 1665 NZ LYS A 123 12.096 -13.233 3.711 1.00 55.57 N ATOM 0 H LYS A 123 6.711 -12.096 4.957 1.00 22.81 H new ATOM 0 HA LYS A 123 8.632 -10.040 4.934 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.465 -11.827 2.778 1.00 27.36 H new ATOM 0 HB3 LYS A 123 8.773 -10.701 2.469 1.00 27.36 H new ATOM 0 HG2 LYS A 123 10.118 -11.845 4.263 1.00 28.78 H new ATOM 0 HG3 LYS A 123 8.827 -13.017 4.438 1.00 28.78 H new ATOM 0 HD2 LYS A 123 9.102 -13.773 2.141 1.00 35.71 H new ATOM 0 HD3 LYS A 123 10.225 -12.473 1.792 1.00 35.71 H new ATOM 0 HE2 LYS A 123 10.671 -14.797 3.707 1.00 44.84 H new ATOM 0 HE3 LYS A 123 11.470 -14.539 2.169 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 13.032 -13.602 3.448 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 12.022 -12.237 3.421 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 11.973 -13.304 4.741 1.00 55.57 H new ATOM 1679 N VAL A 124 5.824 -9.431 3.313 1.00 23.64 N ATOM 1680 CA VAL A 124 5.015 -8.369 2.724 1.00 22.10 C ATOM 1681 C VAL A 124 4.759 -7.264 3.746 1.00 22.85 C ATOM 1682 O VAL A 124 4.860 -6.078 3.431 1.00 24.21 O ATOM 1683 CB VAL A 124 3.669 -8.912 2.189 1.00 22.81 C ATOM 1684 CG1 VAL A 124 2.769 -7.783 1.710 1.00 23.59 C ATOM 1685 CG2 VAL A 124 3.903 -9.910 1.066 1.00 24.46 C ATOM 0 H VAL A 124 5.360 -10.338 3.358 1.00 23.64 H new ATOM 0 HA VAL A 124 5.574 -7.958 1.883 1.00 22.10 H new ATOM 0 HB VAL A 124 3.166 -9.420 3.012 1.00 22.81 H new ATOM 0 HG11 VAL A 124 1.831 -8.197 1.340 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.564 -7.105 2.538 1.00 23.59 H new ATOM 0 HG13 VAL A 124 3.266 -7.237 0.908 1.00 23.59 H new ATOM 0 HG21 VAL A 124 2.944 -10.281 0.703 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.436 -9.421 0.250 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.497 -10.744 1.439 1.00 24.46 H new ATOM 1695 N ASN A 125 4.451 -7.662 4.978 1.00 23.90 N ATOM 1696 CA ASN A 125 4.190 -6.707 6.054 1.00 25.34 C ATOM 1697 C ASN A 125 5.391 -5.789 6.261 1.00 27.59 C ATOM 1698 O ASN A 125 5.252 -4.572 6.333 1.00 26.42 O ATOM 1699 CB ASN A 125 3.873 -7.435 7.369 1.00 25.30 C ATOM 1700 CG ASN A 125 2.450 -7.962 7.440 1.00 26.31 C ATOM 1701 OD1 ASN A 125 2.182 -9.111 7.097 1.00 30.74 O ATOM 1702 ND2 ASN A 125 1.529 -7.133 7.903 1.00 26.69 N ATOM 0 H ASN A 125 4.376 -8.640 5.257 1.00 23.90 H new ATOM 0 HA ASN A 125 3.326 -6.109 5.763 1.00 25.34 H new ATOM 0 HB2 ASN A 125 4.567 -8.267 7.491 1.00 25.30 H new ATOM 0 HB3 ASN A 125 4.042 -6.753 8.203 1.00 25.30 H new ATOM 0 HD21 ASN A 125 0.560 -7.441 7.985 1.00 26.69 H new ATOM 0 HD22 ASN A 125 1.788 -6.186 8.179 1.00 26.69 H new ATOM 1709 N GLU A 126 6.577 -6.382 6.308 1.00 26.42 N ATOM 1710 CA GLU A 126 7.808 -5.630 6.527 1.00 28.43 C ATOM 1711 C GLU A 126 8.183 -4.757 5.325 1.00 31.22 C ATOM 1712 O GLU A 126 9.057 -3.898 5.425 1.00 33.04 O ATOM 1713 CB GLU A 126 8.950 -6.589 6.856 1.00 30.84 C ATOM 1714 CG GLU A 126 8.713 -7.394 8.124 1.00 32.00 C ATOM 1715 CD GLU A 126 9.818 -8.392 8.403 1.00 38.76 C ATOM 1716 OE1 GLU A 126 10.156 -9.186 7.498 1.00 35.92 O ATOM 1717 OE2 GLU A 126 10.353 -8.396 9.536 1.00 44.64 O ATOM 0 H GLU A 126 6.714 -7.387 6.197 1.00 26.42 H new ATOM 0 HA GLU A 126 7.634 -4.959 7.368 1.00 28.43 H new ATOM 0 HB2 GLU A 126 9.092 -7.274 6.020 1.00 30.84 H new ATOM 0 HB3 GLU A 126 9.874 -6.020 6.962 1.00 30.84 H new ATOM 0 HG2 GLU A 126 8.624 -6.712 8.970 1.00 32.00 H new ATOM 0 HG3 GLU A 126 7.764 -7.924 8.040 1.00 32.00 H new ATOM 1724 N CYS A 127 7.532 -4.973 4.190 1.00 27.47 N ATOM 1725 CA CYS A 127 7.820 -4.183 2.998 1.00 28.50 C ATOM 1726 C CYS A 127 6.803 -3.060 2.828 1.00 30.91 C ATOM 1727 O CYS A 127 7.085 -2.044 2.193 1.00 35.43 O ATOM 1728 CB CYS A 127 7.830 -5.071 1.755 1.00 31.38 C ATOM 1729 SG CYS A 127 9.042 -6.409 1.821 1.00 46.40 S ATOM 0 H CYS A 127 6.808 -5.681 4.068 1.00 27.47 H new ATOM 0 HA CYS A 127 8.807 -3.738 3.122 1.00 28.50 H new ATOM 0 HB2 CYS A 127 6.837 -5.500 1.619 1.00 31.38 H new ATOM 0 HB3 CYS A 127 8.033 -4.453 0.880 1.00 31.38 H new ATOM 0 HG CYS A 127 8.671 -7.287 2.705 1.00 46.40 H new ATOM 1735 N LEU A 128 5.620 -3.247 3.398 1.00 26.38 N ATOM 1736 CA LEU A 128 4.566 -2.247 3.301 1.00 27.69 C ATOM 1737 C LEU A 128 4.508 -1.387 4.559 1.00 35.20 C ATOM 1738 O LEU A 128 3.984 -0.276 4.534 1.00 35.19 O ATOM 1739 CB LEU A 128 3.212 -2.921 3.062 1.00 27.68 C ATOM 1740 CG LEU A 128 3.116 -3.768 1.789 1.00 27.47 C ATOM 1741 CD1 LEU A 128 1.705 -4.302 1.616 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.532 -2.957 0.569 1.00 27.78 C ATOM 0 H LEU A 128 5.367 -4.079 3.931 1.00 26.38 H new ATOM 0 HA LEU A 128 4.794 -1.599 2.455 1.00 27.69 H new ATOM 0 HB2 LEU A 128 2.985 -3.556 3.919 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.443 -2.150 3.024 1.00 27.68 H new ATOM 0 HG LEU A 128 3.799 -4.612 1.886 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.652 -4.902 0.707 1.00 27.78 H new ATOM 0 HD12 LEU A 128 1.442 -4.920 2.475 1.00 27.78 H new ATOM 0 HD13 LEU A 128 1.007 -3.468 1.542 1.00 27.78 H new ATOM 0 HD21 LEU A 128 3.456 -3.578 -0.324 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.877 -2.092 0.466 1.00 27.78 H new ATOM 0 HD23 LEU A 128 4.561 -2.620 0.690 1.00 27.78 H new ATOM 1754 N ASN A 129 5.044 -1.899 5.659 1.00 31.80 N ATOM 1755 CA ASN A 129 5.042 -1.159 6.919 1.00 41.40 C ATOM 1756 C ASN A 129 6.450 -0.711 7.295 1.00 46.78 C ATOM 1757 O ASN A 129 6.672 -0.178 8.383 1.00 58.88 O ATOM 1758 CB ASN A 129 4.447 -2.011 8.046 1.00 39.28 C ATOM 1759 CG ASN A 129 2.962 -2.258 7.866 1.00 45.62 C ATOM 1760 OD1 ASN A 129 2.145 -1.315 8.304 1.00 53.22 O flip ATOM 1761 ND2 ASN A 129 2.549 -3.290 7.338 1.00 37.18 N flip ATOM 0 H ASN A 129 5.484 -2.818 5.707 1.00 31.80 H new ATOM 0 HA ASN A 129 4.423 -0.273 6.781 1.00 41.40 H new ATOM 0 HB2 ASN A 129 4.968 -2.967 8.088 1.00 39.28 H new ATOM 0 HB3 ASN A 129 4.616 -1.514 9.001 1.00 39.28 H new ATOM 0 HD21 ASN A 129 3.209 -3.996 7.012 1.00 37.18 H new ATOM 0 HD22 ASN A 129 1.546 -3.440 7.226 1.00 37.18 H new ATOM 1768 N ASN A 130 7.396 -0.924 6.390 1.00 54.30 N ATOM 1769 CA ASN A 130 8.787 -0.540 6.624 1.00 56.86 C ATOM 1770 C ASN A 130 9.527 -0.418 5.301 1.00 60.77 C ATOM 1771 O ASN A 130 9.103 -0.992 4.297 1.00 59.36 O ATOM 1772 CB ASN A 130 9.495 -1.566 7.519 1.00 60.10 C ATOM 1773 CG ASN A 130 10.928 -1.173 7.840 1.00 66.88 C ATOM 1774 OD1 ASN A 130 11.857 -1.485 7.093 1.00 72.02 O ATOM 1775 ND2 ASN A 130 11.119 -0.485 8.955 1.00 69.88 N ATOM 0 H ASN A 130 7.228 -1.362 5.484 1.00 54.30 H new ATOM 0 HA ASN A 130 8.791 0.425 7.131 1.00 56.86 H new ATOM 0 HB2 ASN A 130 8.936 -1.679 8.448 1.00 60.10 H new ATOM 0 HB3 ASN A 130 9.491 -2.538 7.025 1.00 60.10 H new ATOM 0 HD21 ASN A 130 12.060 -0.195 9.220 1.00 69.88 H new ATOM 0 HD22 ASN A 130 10.325 -0.245 9.549 1.00 69.88 H new TER 1782 ASN A 130 ATOM 1783 N MET B 1 -15.946 19.676 8.205 1.00 9.67 N ATOM 1784 CA MET B 1 -15.902 18.285 8.712 1.00 10.38 C ATOM 1785 C MET B 1 -14.527 17.989 9.298 1.00 9.62 C ATOM 1786 O MET B 1 -13.528 18.587 8.889 1.00 9.62 O ATOM 1787 CB MET B 1 -16.220 17.292 7.586 1.00 13.77 C ATOM 1788 CG MET B 1 -15.151 17.234 6.508 1.00 16.29 C ATOM 1789 SD MET B 1 -15.690 16.348 5.035 1.00 17.17 S ATOM 1790 CE MET B 1 -14.262 16.573 3.977 1.00 16.11 C ATOM 0 H1 MET B 1 -16.704 19.764 7.498 1.00 9.67 H new ATOM 0 H2 MET B 1 -16.131 20.327 8.994 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.034 19.914 7.766 1.00 9.67 H new ATOM 0 HA MET B 1 -16.654 18.175 9.493 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.347 16.298 8.014 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.171 17.566 7.129 1.00 13.77 H new ATOM 0 HG2 MET B 1 -14.865 18.249 6.231 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.261 16.751 6.911 1.00 16.29 H new ATOM 0 HE1 MET B 1 -14.507 16.256 2.963 1.00 16.11 H new ATOM 0 HE2 MET B 1 -13.977 17.625 3.969 1.00 16.11 H new ATOM 0 HE3 MET B 1 -13.432 15.975 4.354 1.00 16.11 H new ATOM 1802 N GLN B 2 -14.478 17.081 10.262 1.00 9.27 N ATOM 1803 CA GLN B 2 -13.224 16.712 10.902 1.00 9.07 C ATOM 1804 C GLN B 2 -12.597 15.515 10.199 1.00 8.72 C ATOM 1805 O GLN B 2 -13.234 14.469 10.057 1.00 8.22 O ATOM 1806 CB GLN B 2 -13.447 16.370 12.381 1.00 14.46 C ATOM 1807 CG GLN B 2 -14.249 17.404 13.163 1.00 17.01 C ATOM 1808 CD GLN B 2 -13.665 18.797 13.073 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -12.484 18.974 12.785 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -14.488 19.797 13.349 1.00 19.49 N ATOM 0 H GLN B 2 -15.295 16.585 10.619 1.00 9.27 H new ATOM 0 HA GLN B 2 -12.551 17.566 10.831 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -13.959 15.410 12.444 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -12.476 16.245 12.861 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -15.273 17.420 12.789 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -14.297 17.103 14.210 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -15.462 19.606 13.584 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -14.148 20.758 13.327 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.363 15.671 9.744 1.00 5.87 N ATOM 1820 CA ILE B 3 -10.654 14.587 9.078 1.00 5.07 C ATOM 1821 C ILE B 3 -9.450 14.165 9.912 1.00 4.01 C ATOM 1822 O ILE B 3 -8.919 14.962 10.687 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.191 14.970 7.655 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.220 16.156 7.692 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -11.394 15.288 6.774 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -8.462 16.355 6.397 1.00 10.83 C ATOM 0 H ILE B 3 -10.831 16.538 9.823 1.00 5.87 H new ATOM 0 HA ILE B 3 -11.354 13.757 8.981 1.00 5.07 H new ATOM 0 HB ILE B 3 -9.662 14.118 7.228 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -9.777 17.065 7.921 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -8.507 16.006 8.502 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -11.052 15.556 5.774 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -12.042 14.414 6.714 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -11.949 16.122 7.203 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -7.794 17.211 6.494 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -7.878 15.462 6.176 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.168 16.536 5.586 1.00 10.83 H new ATOM 1838 N PHE B 4 -9.024 12.918 9.761 1.00 4.55 N ATOM 1839 CA PHE B 4 -7.893 12.405 10.521 1.00 4.68 C ATOM 1840 C PHE B 4 -6.741 12.018 9.604 1.00 5.30 C ATOM 1841 O PHE B 4 -6.755 10.953 8.988 1.00 5.58 O ATOM 1842 CB PHE B 4 -8.320 11.194 11.354 1.00 4.83 C ATOM 1843 CG PHE B 4 -9.278 11.533 12.460 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -8.821 12.108 13.635 1.00 6.69 C ATOM 1845 CD2 PHE B 4 -10.632 11.273 12.327 1.00 8.34 C ATOM 1846 CE1 PHE B 4 -9.698 12.420 14.656 1.00 9.10 C ATOM 1847 CE2 PHE B 4 -11.513 11.583 13.345 1.00 10.61 C ATOM 1848 CZ PHE B 4 -11.044 12.156 14.510 1.00 8.90 C ATOM 0 H PHE B 4 -9.444 12.244 9.120 1.00 4.55 H new ATOM 0 HA PHE B 4 -7.551 13.199 11.185 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -8.782 10.457 10.698 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -7.433 10.728 11.783 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -7.768 12.315 13.754 1.00 6.69 H new ATOM 0 HD2 PHE B 4 -11.003 10.823 11.418 1.00 8.34 H new ATOM 0 HE1 PHE B 4 -9.330 12.870 15.567 1.00 9.10 H new ATOM 0 HE2 PHE B 4 -12.567 11.377 13.230 1.00 10.61 H new ATOM 0 HZ PHE B 4 -11.731 12.398 15.307 1.00 8.90 H new ATOM 1858 N VAL B 5 -5.748 12.888 9.510 1.00 4.44 N ATOM 1859 CA VAL B 5 -4.583 12.627 8.676 1.00 3.87 C ATOM 1860 C VAL B 5 -3.505 11.937 9.502 1.00 4.93 C ATOM 1861 O VAL B 5 -2.778 12.581 10.255 1.00 6.84 O ATOM 1862 CB VAL B 5 -4.015 13.925 8.066 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -2.916 13.616 7.062 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.121 14.738 7.415 1.00 9.13 C ATOM 0 H VAL B 5 -5.724 13.782 10.001 1.00 4.44 H new ATOM 0 HA VAL B 5 -4.897 11.980 7.857 1.00 3.87 H new ATOM 0 HB VAL B 5 -3.581 14.517 8.872 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -2.531 14.547 6.646 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -2.108 13.080 7.560 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.320 12.999 6.259 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -4.701 15.650 6.990 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -5.587 14.151 6.624 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -5.870 14.998 8.163 1.00 9.13 H new ATOM 1874 N LYS B 6 -3.422 10.624 9.363 1.00 6.04 N ATOM 1875 CA LYS B 6 -2.455 9.827 10.104 1.00 6.12 C ATOM 1876 C LYS B 6 -1.094 9.838 9.415 1.00 6.57 C ATOM 1877 O LYS B 6 -0.973 9.455 8.252 1.00 5.76 O ATOM 1878 CB LYS B 6 -2.970 8.389 10.231 1.00 7.45 C ATOM 1879 CG LYS B 6 -2.520 7.678 11.498 1.00 11.12 C ATOM 1880 CD LYS B 6 -3.285 6.376 11.704 1.00 14.54 C ATOM 1881 CE LYS B 6 -2.981 5.740 13.056 1.00 18.84 C ATOM 1882 NZ LYS B 6 -3.481 6.565 14.187 1.00 20.55 N ATOM 0 H LYS B 6 -4.019 10.082 8.738 1.00 6.04 H new ATOM 0 HA LYS B 6 -2.333 10.261 11.097 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -4.060 8.401 10.201 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -2.634 7.816 9.367 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -1.452 7.469 11.441 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -2.671 8.331 12.357 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -4.355 6.569 11.627 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -3.029 5.676 10.909 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -3.436 4.750 13.101 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -1.905 5.601 13.157 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -3.647 5.956 15.014 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -2.775 7.290 14.427 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -4.371 7.027 13.913 1.00 20.55 H new ATOM 1896 N THR B 7 -0.079 10.293 10.133 1.00 7.41 N ATOM 1897 CA THR B 7 1.278 10.344 9.608 1.00 7.48 C ATOM 1898 C THR B 7 1.972 8.991 9.785 1.00 8.75 C ATOM 1899 O THR B 7 1.371 8.044 10.299 1.00 8.58 O ATOM 1900 CB THR B 7 2.094 11.439 10.322 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.273 12.104 11.291 1.00 11.78 O ATOM 1902 CG2 THR B 7 2.637 12.456 9.332 1.00 9.17 C ATOM 0 H THR B 7 -0.170 10.635 11.089 1.00 7.41 H new ATOM 0 HA THR B 7 1.221 10.580 8.545 1.00 7.48 H new ATOM 0 HB THR B 7 2.938 10.960 10.819 1.00 9.61 H new ATOM 0 HG1 THR B 7 1.666 12.975 11.510 1.00 11.78 H new ATOM 0 HG21 THR B 7 3.208 13.215 9.867 1.00 9.17 H new ATOM 0 HG22 THR B 7 3.285 11.954 8.613 1.00 9.17 H new ATOM 0 HG23 THR B 7 1.808 12.929 8.805 1.00 9.17 H new ATOM 1910 N LEU B 8 3.232 8.903 9.364 1.00 9.84 N ATOM 1911 CA LEU B 8 4.005 7.665 9.486 1.00 14.15 C ATOM 1912 C LEU B 8 4.131 7.245 10.946 1.00 17.37 C ATOM 1913 O LEU B 8 4.177 6.057 11.262 1.00 17.01 O ATOM 1914 CB LEU B 8 5.405 7.844 8.892 1.00 16.63 C ATOM 1915 CG LEU B 8 5.536 7.551 7.399 1.00 18.88 C ATOM 1916 CD1 LEU B 8 6.914 7.963 6.904 1.00 19.31 C ATOM 1917 CD2 LEU B 8 5.294 6.077 7.120 1.00 18.59 C ATOM 0 H LEU B 8 3.742 9.675 8.934 1.00 9.84 H new ATOM 0 HA LEU B 8 3.474 6.888 8.936 1.00 14.15 H new ATOM 0 HB2 LEU B 8 5.727 8.870 9.071 1.00 16.63 H new ATOM 0 HB3 LEU B 8 6.094 7.195 9.432 1.00 16.63 H new ATOM 0 HG LEU B 8 4.782 8.129 6.865 1.00 18.88 H new ATOM 0 HD11 LEU B 8 6.997 7.750 5.838 1.00 19.31 H new ATOM 0 HD12 LEU B 8 7.057 9.030 7.073 1.00 19.31 H new ATOM 0 HD13 LEU B 8 7.677 7.405 7.446 1.00 19.31 H new ATOM 0 HD21 LEU B 8 5.392 5.888 6.051 1.00 18.59 H new ATOM 0 HD22 LEU B 8 6.026 5.479 7.663 1.00 18.59 H new ATOM 0 HD23 LEU B 8 4.290 5.805 7.446 1.00 18.59 H new ATOM 1929 N THR B 9 4.181 8.231 11.828 1.00 18.33 N ATOM 1930 CA THR B 9 4.306 7.990 13.256 1.00 19.24 C ATOM 1931 C THR B 9 2.968 7.595 13.884 1.00 19.48 C ATOM 1932 O THR B 9 2.884 7.338 15.086 1.00 23.14 O ATOM 1933 CB THR B 9 4.846 9.246 13.956 1.00 18.97 C ATOM 1934 OG1 THR B 9 4.863 10.347 13.029 1.00 20.24 O ATOM 1935 CG2 THR B 9 6.247 9.002 14.489 1.00 19.70 C ATOM 0 H THR B 9 4.136 9.218 11.575 1.00 18.33 H new ATOM 0 HA THR B 9 5.002 7.161 13.389 1.00 19.24 H new ATOM 0 HB THR B 9 4.193 9.485 14.795 1.00 18.97 H new ATOM 0 HG1 THR B 9 5.206 11.148 13.478 1.00 20.24 H new ATOM 0 HG21 THR B 9 6.611 9.904 14.981 1.00 19.70 H new ATOM 0 HG22 THR B 9 6.226 8.181 15.206 1.00 19.70 H new ATOM 0 HG23 THR B 9 6.911 8.746 13.663 1.00 19.70 H new ATOM 1943 N GLY B 10 1.923 7.556 13.067 1.00 19.43 N ATOM 1944 CA GLY B 10 0.610 7.188 13.560 1.00 18.74 C ATOM 1945 C GLY B 10 -0.165 8.375 14.100 1.00 17.62 C ATOM 1946 O GLY B 10 -1.295 8.226 14.566 1.00 19.74 O ATOM 0 H GLY B 10 1.961 7.773 12.071 1.00 19.43 H new ATOM 0 HA2 GLY B 10 0.041 6.723 12.755 1.00 18.74 H new ATOM 0 HA3 GLY B 10 0.718 6.441 14.346 1.00 18.74 H new ATOM 1950 N LYS B 11 0.440 9.553 14.030 1.00 13.56 N ATOM 1951 CA LYS B 11 -0.197 10.771 14.516 1.00 11.91 C ATOM 1952 C LYS B 11 -1.401 11.129 13.654 1.00 10.18 C ATOM 1953 O LYS B 11 -1.256 11.478 12.484 1.00 9.10 O ATOM 1954 CB LYS B 11 0.804 11.928 14.525 1.00 13.43 C ATOM 1955 CG LYS B 11 0.224 13.241 15.036 1.00 16.69 C ATOM 1956 CD LYS B 11 1.249 14.362 14.978 1.00 17.92 C ATOM 1957 CE LYS B 11 0.675 15.672 15.490 1.00 20.81 C ATOM 1958 NZ LYS B 11 1.713 16.732 15.588 1.00 21.93 N ATOM 0 H LYS B 11 1.373 9.692 13.641 1.00 13.56 H new ATOM 0 HA LYS B 11 -0.540 10.593 15.535 1.00 11.91 H new ATOM 0 HB2 LYS B 11 1.657 11.653 15.145 1.00 13.43 H new ATOM 0 HB3 LYS B 11 1.181 12.078 13.513 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -0.647 13.512 14.440 1.00 16.69 H new ATOM 0 HG3 LYS B 11 -0.120 13.113 16.063 1.00 16.69 H new ATOM 0 HD2 LYS B 11 2.121 14.089 15.572 1.00 17.92 H new ATOM 0 HD3 LYS B 11 1.591 14.491 13.951 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -0.121 16.004 14.824 1.00 20.81 H new ATOM 0 HE3 LYS B 11 0.225 15.513 16.470 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 1.256 17.650 15.759 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 2.358 16.514 16.374 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 2.252 16.774 14.699 1.00 21.93 H new ATOM 1972 N THR B 12 -2.587 11.018 14.230 1.00 9.63 N ATOM 1973 CA THR B 12 -3.809 11.337 13.515 1.00 9.85 C ATOM 1974 C THR B 12 -4.127 12.823 13.627 1.00 11.66 C ATOM 1975 O THR B 12 -4.795 13.264 14.567 1.00 12.33 O ATOM 1976 CB THR B 12 -4.993 10.510 14.044 1.00 10.85 C ATOM 1977 OG1 THR B 12 -4.595 9.792 15.219 1.00 10.91 O ATOM 1978 CG2 THR B 12 -5.483 9.530 12.993 1.00 9.63 C ATOM 0 H THR B 12 -2.728 10.709 15.192 1.00 9.63 H new ATOM 0 HA THR B 12 -3.652 11.086 12.466 1.00 9.85 H new ATOM 0 HB THR B 12 -5.807 11.193 14.287 1.00 10.85 H new ATOM 0 HG1 THR B 12 -5.352 9.268 15.554 1.00 10.91 H new ATOM 0 HG21 THR B 12 -6.320 8.957 13.392 1.00 9.63 H new ATOM 0 HG22 THR B 12 -5.807 10.077 12.108 1.00 9.63 H new ATOM 0 HG23 THR B 12 -4.674 8.851 12.724 1.00 9.63 H new ATOM 1986 N ILE B 13 -3.630 13.594 12.673 1.00 10.42 N ATOM 1987 CA ILE B 13 -3.849 15.031 12.655 1.00 11.84 C ATOM 1988 C ILE B 13 -5.303 15.348 12.324 1.00 10.55 C ATOM 1989 O ILE B 13 -5.762 15.109 11.207 1.00 11.92 O ATOM 1990 CB ILE B 13 -2.932 15.733 11.629 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -1.479 15.277 11.804 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -3.033 17.246 11.775 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -0.571 15.702 10.668 1.00 16.46 C ATOM 0 H ILE B 13 -3.068 13.245 11.896 1.00 10.42 H new ATOM 0 HA ILE B 13 -3.609 15.405 13.650 1.00 11.84 H new ATOM 0 HB ILE B 13 -3.262 15.457 10.628 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -1.090 15.680 12.739 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.455 14.191 11.890 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.381 17.726 11.045 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -4.063 17.560 11.604 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -2.728 17.536 12.780 1.00 17.08 H new ATOM 0 HD11 ILE B 13 0.441 15.345 10.858 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -0.935 15.277 9.733 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -0.565 16.790 10.595 1.00 16.46 H new ATOM 2005 N THR B 14 -6.025 15.867 13.304 1.00 9.39 N ATOM 2006 CA THR B 14 -7.421 16.218 13.123 1.00 9.63 C ATOM 2007 C THR B 14 -7.542 17.610 12.520 1.00 11.20 C ATOM 2008 O THR B 14 -7.268 18.607 13.186 1.00 11.63 O ATOM 2009 CB THR B 14 -8.172 16.164 14.464 1.00 10.38 C ATOM 2010 OG1 THR B 14 -7.719 15.028 15.212 1.00 16.30 O ATOM 2011 CG2 THR B 14 -9.676 16.074 14.246 1.00 11.66 C ATOM 0 H THR B 14 -5.662 16.055 14.239 1.00 9.39 H new ATOM 0 HA THR B 14 -7.869 15.494 12.442 1.00 9.63 H new ATOM 0 HB THR B 14 -7.966 17.080 15.018 1.00 10.38 H new ATOM 0 HG1 THR B 14 -8.219 14.233 14.934 1.00 16.30 H new ATOM 0 HG21 THR B 14 -10.182 16.037 15.211 1.00 11.66 H new ATOM 0 HG22 THR B 14 -10.016 16.948 13.691 1.00 11.66 H new ATOM 0 HG23 THR B 14 -9.908 15.172 13.680 1.00 11.66 H new ATOM 2019 N LEU B 15 -7.926 17.671 11.256 1.00 8.29 N ATOM 2020 CA LEU B 15 -8.066 18.941 10.563 1.00 9.03 C ATOM 2021 C LEU B 15 -9.526 19.226 10.250 1.00 8.59 C ATOM 2022 O LEU B 15 -10.293 18.319 9.924 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.247 18.938 9.272 1.00 11.08 C ATOM 2024 CG LEU B 15 -5.727 18.897 9.460 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -5.029 18.675 8.128 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.230 20.180 10.110 1.00 15.27 C ATOM 0 H LEU B 15 -8.147 16.854 10.687 1.00 8.29 H new ATOM 0 HA LEU B 15 -7.691 19.727 11.218 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -7.546 18.077 8.674 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -7.501 19.829 8.698 1.00 11.08 H new ATOM 0 HG LEU B 15 -5.489 18.062 10.119 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -3.950 18.649 8.282 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -5.357 17.728 7.699 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -5.278 19.488 7.447 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -4.148 20.130 10.234 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.483 21.030 9.477 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -5.702 20.300 11.085 1.00 15.27 H new ATOM 2038 N GLU B 16 -9.902 20.487 10.352 1.00 11.04 N ATOM 2039 CA GLU B 16 -11.263 20.902 10.073 1.00 11.50 C ATOM 2040 C GLU B 16 -11.330 21.524 8.691 1.00 10.13 C ATOM 2041 O GLU B 16 -10.897 22.658 8.488 1.00 9.83 O ATOM 2042 CB GLU B 16 -11.740 21.898 11.124 1.00 17.22 C ATOM 2043 CG GLU B 16 -13.240 22.131 11.105 1.00 23.33 C ATOM 2044 CD GLU B 16 -13.699 23.013 12.242 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -13.921 22.488 13.351 1.00 28.90 O ATOM 2046 OE2 GLU B 16 -13.821 24.239 12.039 1.00 28.86 O ATOM 0 H GLU B 16 -9.279 21.246 10.628 1.00 11.04 H new ATOM 0 HA GLU B 16 -11.916 20.030 10.106 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -11.449 21.539 12.111 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -11.231 22.849 10.968 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -13.522 22.589 10.157 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -13.755 21.172 11.162 1.00 23.33 H new ATOM 2053 N VAL B 17 -11.850 20.772 7.741 1.00 8.99 N ATOM 2054 CA VAL B 17 -11.953 21.244 6.373 1.00 8.85 C ATOM 2055 C VAL B 17 -13.333 20.965 5.801 1.00 8.04 C ATOM 2056 O VAL B 17 -14.073 20.128 6.319 1.00 8.99 O ATOM 2057 CB VAL B 17 -10.890 20.582 5.468 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -9.555 21.300 5.591 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -10.734 19.110 5.818 1.00 10.54 C ATOM 0 H VAL B 17 -12.209 19.829 7.891 1.00 8.99 H new ATOM 0 HA VAL B 17 -11.782 22.320 6.395 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.227 20.659 4.434 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -8.821 20.817 4.945 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -9.673 22.341 5.291 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.213 21.257 6.625 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -9.981 18.660 5.171 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -10.422 19.014 6.858 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -11.687 18.599 5.676 1.00 10.54 H new ATOM 2069 N GLU B 18 -13.676 21.674 4.742 1.00 7.29 N ATOM 2070 CA GLU B 18 -14.962 21.501 4.087 1.00 7.08 C ATOM 2071 C GLU B 18 -14.772 20.691 2.811 1.00 6.45 C ATOM 2072 O GLU B 18 -13.668 20.642 2.276 1.00 5.28 O ATOM 2073 CB GLU B 18 -15.581 22.864 3.758 1.00 10.28 C ATOM 2074 CG GLU B 18 -15.949 23.679 4.987 1.00 12.65 C ATOM 2075 CD GLU B 18 -16.797 22.891 5.964 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -17.893 22.435 5.575 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -16.369 22.717 7.122 1.00 18.17 O ATOM 0 H GLU B 18 -13.078 22.381 4.313 1.00 7.29 H new ATOM 0 HA GLU B 18 -15.637 20.970 4.758 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -14.879 23.435 3.151 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -16.475 22.711 3.153 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -15.039 24.012 5.485 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.490 24.574 4.679 1.00 12.65 H new ATOM 2084 N PRO B 19 -15.828 20.040 2.299 1.00 7.24 N ATOM 2085 CA PRO B 19 -15.734 19.256 1.065 1.00 7.07 C ATOM 2086 C PRO B 19 -15.368 20.134 -0.130 1.00 6.65 C ATOM 2087 O PRO B 19 -14.973 19.639 -1.187 1.00 6.37 O ATOM 2088 CB PRO B 19 -17.137 18.666 0.890 1.00 7.61 C ATOM 2089 CG PRO B 19 -17.782 18.781 2.231 1.00 8.16 C ATOM 2090 CD PRO B 19 -17.181 19.995 2.877 1.00 7.49 C ATOM 0 HA PRO B 19 -14.956 18.494 1.122 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -17.702 19.211 0.134 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -17.089 17.627 0.564 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -18.863 18.884 2.136 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -17.598 17.889 2.830 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -17.748 20.897 2.648 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.154 19.903 3.963 1.00 7.49 H new ATOM 2098 N SER B 20 -15.508 21.441 0.058 1.00 6.80 N ATOM 2099 CA SER B 20 -15.193 22.418 -0.968 1.00 6.28 C ATOM 2100 C SER B 20 -13.713 22.794 -0.921 1.00 8.45 C ATOM 2101 O SER B 20 -13.210 23.497 -1.799 1.00 7.26 O ATOM 2102 CB SER B 20 -16.062 23.656 -0.761 1.00 8.57 C ATOM 2103 OG SER B 20 -16.988 23.444 0.296 1.00 11.13 O ATOM 0 H SER B 20 -15.844 21.850 0.930 1.00 6.80 H new ATOM 0 HA SER B 20 -15.398 21.987 -1.948 1.00 6.28 H new ATOM 0 HB2 SER B 20 -15.432 24.516 -0.533 1.00 8.57 H new ATOM 0 HB3 SER B 20 -16.598 23.889 -1.681 1.00 8.57 H new ATOM 0 HG SER B 20 -16.564 23.664 1.152 1.00 11.13 H new ATOM 2109 N ASP B 21 -13.019 22.325 0.113 1.00 7.50 N ATOM 2110 CA ASP B 21 -11.599 22.603 0.275 1.00 7.70 C ATOM 2111 C ASP B 21 -10.784 21.710 -0.646 1.00 7.08 C ATOM 2112 O ASP B 21 -11.091 20.526 -0.818 1.00 8.11 O ATOM 2113 CB ASP B 21 -11.153 22.390 1.727 1.00 11.00 C ATOM 2114 CG ASP B 21 -11.223 23.654 2.560 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -10.662 24.687 2.130 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -11.839 23.625 3.651 1.00 14.36 O ATOM 0 H ASP B 21 -13.421 21.749 0.852 1.00 7.50 H new ATOM 0 HA ASP B 21 -11.430 23.648 0.014 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -11.779 21.625 2.185 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -10.131 22.012 1.735 1.00 11.00 H new ATOM 2121 N THR B 22 -9.766 22.288 -1.256 1.00 5.37 N ATOM 2122 CA THR B 22 -8.900 21.552 -2.153 1.00 6.01 C ATOM 2123 C THR B 22 -7.795 20.850 -1.370 1.00 8.01 C ATOM 2124 O THR B 22 -7.499 21.221 -0.233 1.00 8.11 O ATOM 2125 CB THR B 22 -8.285 22.501 -3.194 1.00 8.92 C ATOM 2126 OG1 THR B 22 -8.273 23.835 -2.667 1.00 10.22 O ATOM 2127 CG2 THR B 22 -9.075 22.475 -4.497 1.00 9.65 C ATOM 0 H THR B 22 -9.519 23.271 -1.144 1.00 5.37 H new ATOM 0 HA THR B 22 -9.496 20.799 -2.669 1.00 6.01 H new ATOM 0 HB THR B 22 -7.268 22.171 -3.406 1.00 8.92 H new ATOM 0 HG1 THR B 22 -9.154 24.245 -2.795 1.00 10.22 H new ATOM 0 HG21 THR B 22 -8.617 23.156 -5.214 1.00 9.65 H new ATOM 0 HG22 THR B 22 -9.072 21.464 -4.904 1.00 9.65 H new ATOM 0 HG23 THR B 22 -10.102 22.787 -4.306 1.00 9.65 H new ATOM 2135 N ILE B 23 -7.184 19.841 -1.977 1.00 8.32 N ATOM 2136 CA ILE B 23 -6.115 19.092 -1.327 1.00 9.92 C ATOM 2137 C ILE B 23 -4.955 20.014 -0.947 1.00 10.01 C ATOM 2138 O ILE B 23 -4.350 19.858 0.114 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.614 17.941 -2.227 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.734 16.920 -2.457 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.383 17.265 -1.630 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -7.178 16.199 -1.202 1.00 12.30 C ATOM 0 H ILE B 23 -7.410 19.522 -2.919 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.524 18.658 -0.415 1.00 9.92 H new ATOM 0 HB ILE B 23 -5.324 18.366 -3.188 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -7.593 17.430 -2.893 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -6.396 16.184 -3.186 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -4.055 16.460 -2.287 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.581 17.996 -1.525 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.632 16.856 -0.651 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -7.972 15.495 -1.449 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.333 15.658 -0.775 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.548 16.924 -0.477 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.677 20.999 -1.801 1.00 9.54 N ATOM 2155 CA GLU B 24 -3.602 21.955 -1.543 1.00 11.81 C ATOM 2156 C GLU B 24 -3.864 22.730 -0.252 1.00 11.14 C ATOM 2157 O GLU B 24 -2.935 23.045 0.495 1.00 10.62 O ATOM 2158 CB GLU B 24 -3.457 22.931 -2.712 1.00 19.24 C ATOM 2159 CG GLU B 24 -2.416 24.017 -2.478 1.00 27.76 C ATOM 2160 CD GLU B 24 -2.443 25.092 -3.540 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -3.336 25.967 -3.490 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -1.574 25.070 -4.436 1.00 36.51 O ATOM 0 H GLU B 24 -5.180 21.155 -2.675 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.674 21.394 -1.433 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -3.191 22.372 -3.609 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -4.422 23.400 -2.904 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -2.585 24.472 -1.502 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -1.425 23.564 -2.451 1.00 27.76 H new ATOM 2169 N ASN B 25 -5.136 23.018 0.013 1.00 9.43 N ATOM 2170 CA ASN B 25 -5.525 23.750 1.215 1.00 10.96 C ATOM 2171 C ASN B 25 -5.157 22.955 2.460 1.00 9.68 C ATOM 2172 O ASN B 25 -4.768 23.520 3.483 1.00 9.33 O ATOM 2173 CB ASN B 25 -7.029 24.047 1.203 1.00 16.78 C ATOM 2174 CG ASN B 25 -7.390 25.207 0.295 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -6.569 25.669 -0.501 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -8.620 25.680 0.401 1.00 24.70 N ATOM 0 H ASN B 25 -5.916 22.755 -0.590 1.00 9.43 H new ATOM 0 HA ASN B 25 -4.985 24.697 1.230 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.568 23.157 0.880 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -7.359 24.269 2.218 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -8.921 26.456 -0.189 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -9.268 25.269 1.073 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.273 21.638 2.360 1.00 6.52 N ATOM 2184 CA VAL B 26 -4.937 20.753 3.462 1.00 5.53 C ATOM 2185 C VAL B 26 -3.431 20.788 3.709 1.00 4.42 C ATOM 2186 O VAL B 26 -2.976 20.846 4.851 1.00 3.40 O ATOM 2187 CB VAL B 26 -5.381 19.301 3.170 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -5.090 18.390 4.354 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -6.861 19.256 2.813 1.00 8.12 C ATOM 0 H VAL B 26 -5.599 21.159 1.521 1.00 6.52 H new ATOM 0 HA VAL B 26 -5.466 21.100 4.350 1.00 5.53 H new ATOM 0 HB VAL B 26 -4.807 18.939 2.317 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -5.413 17.375 4.120 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -4.020 18.392 4.560 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -5.629 18.749 5.231 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.155 18.226 2.611 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -7.448 19.644 3.645 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.040 19.865 1.927 1.00 8.12 H new ATOM 2199 N LYS B 27 -2.670 20.788 2.619 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.213 20.824 2.692 1.00 4.14 C ATOM 2201 C LYS B 27 -0.743 22.094 3.393 1.00 5.58 C ATOM 2202 O LYS B 27 0.162 22.060 4.233 1.00 4.11 O ATOM 2203 CB LYS B 27 -0.604 20.762 1.288 1.00 3.97 C ATOM 2204 CG LYS B 27 -1.227 19.706 0.388 1.00 7.45 C ATOM 2205 CD LYS B 27 -0.659 18.325 0.661 1.00 9.02 C ATOM 2206 CE LYS B 27 0.519 18.021 -0.248 1.00 12.90 C ATOM 2207 NZ LYS B 27 0.092 17.778 -1.649 1.00 15.47 N ATOM 0 H LYS B 27 -3.041 20.763 1.669 1.00 2.64 H new ATOM 0 HA LYS B 27 -0.883 19.957 3.264 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -0.711 21.738 0.814 1.00 3.97 H new ATOM 0 HB3 LYS B 27 0.465 20.565 1.375 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -2.306 19.691 0.539 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -1.054 19.970 -0.655 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -0.344 18.259 1.702 1.00 9.02 H new ATOM 0 HD3 LYS B 27 -1.436 17.575 0.515 1.00 9.02 H new ATOM 0 HE2 LYS B 27 1.221 18.854 -0.222 1.00 12.90 H new ATOM 0 HE3 LYS B 27 1.049 17.145 0.126 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 0.820 18.134 -2.301 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 -0.039 16.757 -1.800 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 -0.805 18.272 -1.829 1.00 15.47 H new ATOM 2221 N ALA B 28 -1.371 23.212 3.040 1.00 6.61 N ATOM 2222 CA ALA B 28 -1.040 24.506 3.622 1.00 7.74 C ATOM 2223 C ALA B 28 -1.279 24.503 5.127 1.00 9.17 C ATOM 2224 O ALA B 28 -0.492 25.060 5.892 1.00 11.45 O ATOM 2225 CB ALA B 28 -1.853 25.607 2.960 1.00 7.68 C ATOM 0 H ALA B 28 -2.119 23.245 2.347 1.00 6.61 H new ATOM 0 HA ALA B 28 0.019 24.697 3.446 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -1.595 26.568 3.405 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -1.632 25.631 1.893 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -2.916 25.413 3.107 1.00 7.68 H new ATOM 2231 N LYS B 29 -2.366 23.862 5.545 1.00 8.96 N ATOM 2232 CA LYS B 29 -2.707 23.782 6.959 1.00 7.90 C ATOM 2233 C LYS B 29 -1.679 22.950 7.715 1.00 6.92 C ATOM 2234 O LYS B 29 -1.307 23.278 8.842 1.00 6.87 O ATOM 2235 CB LYS B 29 -4.107 23.197 7.139 1.00 10.28 C ATOM 2236 CG LYS B 29 -5.206 24.140 6.682 1.00 14.94 C ATOM 2237 CD LYS B 29 -6.588 23.588 6.977 1.00 19.69 C ATOM 2238 CE LYS B 29 -7.672 24.607 6.656 1.00 22.63 C ATOM 2239 NZ LYS B 29 -7.473 25.886 7.393 1.00 24.98 N ATOM 0 H LYS B 29 -3.025 23.391 4.924 1.00 8.96 H new ATOM 0 HA LYS B 29 -2.699 24.791 7.371 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -4.180 22.264 6.580 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -4.260 22.951 8.190 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -5.087 25.103 7.178 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -5.108 24.319 5.611 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -6.753 22.683 6.392 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -6.652 23.305 8.028 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -7.678 24.804 5.584 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -8.647 24.191 6.909 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -8.393 26.245 7.720 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -6.854 25.722 8.213 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -7.033 26.586 6.762 1.00 24.98 H new ATOM 2253 N ILE B 30 -1.210 21.885 7.083 1.00 4.57 N ATOM 2254 CA ILE B 30 -0.215 21.019 7.692 1.00 5.58 C ATOM 2255 C ILE B 30 1.110 21.770 7.859 1.00 7.26 C ATOM 2256 O ILE B 30 1.850 21.545 8.816 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.013 19.727 6.864 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -1.321 18.929 6.826 1.00 2.94 C ATOM 2259 CG2 ILE B 30 1.109 18.876 7.444 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.311 17.783 5.838 1.00 2.00 C ATOM 0 H ILE B 30 -1.503 21.600 6.148 1.00 4.57 H new ATOM 0 HA ILE B 30 -0.577 20.726 8.677 1.00 5.58 H new ATOM 0 HB ILE B 30 0.269 20.006 5.849 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -1.524 18.536 7.822 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.140 19.604 6.577 1.00 2.94 H new ATOM 0 HG21 ILE B 30 1.230 17.975 6.843 1.00 2.78 H new ATOM 0 HG22 ILE B 30 2.039 19.445 7.436 1.00 2.78 H new ATOM 0 HG23 ILE B 30 0.863 18.599 8.469 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.271 17.267 5.870 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.140 18.170 4.833 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -0.515 17.085 6.098 1.00 2.00 H new ATOM 2272 N GLN B 31 1.393 22.690 6.948 1.00 7.06 N ATOM 2273 CA GLN B 31 2.619 23.476 7.028 1.00 8.67 C ATOM 2274 C GLN B 31 2.487 24.557 8.100 1.00 10.90 C ATOM 2275 O GLN B 31 3.471 24.964 8.718 1.00 9.63 O ATOM 2276 CB GLN B 31 2.950 24.116 5.677 1.00 9.12 C ATOM 2277 CG GLN B 31 4.272 24.871 5.675 1.00 10.76 C ATOM 2278 CD GLN B 31 4.582 25.524 4.343 1.00 13.78 C ATOM 2279 OE1 GLN B 31 3.678 25.866 3.579 1.00 14.48 O ATOM 2280 NE2 GLN B 31 5.862 25.698 4.053 1.00 14.76 N ATOM 0 H GLN B 31 0.797 22.911 6.150 1.00 7.06 H new ATOM 0 HA GLN B 31 3.434 22.804 7.298 1.00 8.67 H new ATOM 0 HB2 GLN B 31 2.982 23.339 4.913 1.00 9.12 H new ATOM 0 HB3 GLN B 31 2.148 24.801 5.401 1.00 9.12 H new ATOM 0 HG2 GLN B 31 4.248 25.636 6.451 1.00 10.76 H new ATOM 0 HG3 GLN B 31 5.077 24.182 5.931 1.00 10.76 H new ATOM 0 HE21 GLN B 31 6.580 25.400 4.714 1.00 14.76 H new ATOM 0 HE22 GLN B 31 6.130 26.130 3.169 1.00 14.76 H new ATOM 2289 N ASP B 32 1.264 25.003 8.323 1.00 10.93 N ATOM 2290 CA ASP B 32 0.991 26.035 9.317 1.00 14.01 C ATOM 2291 C ASP B 32 1.008 25.452 10.728 1.00 14.04 C ATOM 2292 O ASP B 32 1.498 26.080 11.664 1.00 13.39 O ATOM 2293 CB ASP B 32 -0.366 26.692 9.029 1.00 18.01 C ATOM 2294 CG ASP B 32 -0.792 27.693 10.091 1.00 24.33 C ATOM 2295 OD1 ASP B 32 -0.140 28.751 10.222 1.00 25.17 O ATOM 2296 OD2 ASP B 32 -1.800 27.435 10.784 1.00 26.29 O ATOM 0 H ASP B 32 0.438 24.667 7.828 1.00 10.93 H new ATOM 0 HA ASP B 32 1.774 26.790 9.254 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -0.319 27.196 8.064 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -1.127 25.916 8.947 1.00 18.01 H new ATOM 2301 N LYS B 33 0.489 24.238 10.871 1.00 14.22 N ATOM 2302 CA LYS B 33 0.429 23.578 12.172 1.00 14.00 C ATOM 2303 C LYS B 33 1.688 22.767 12.472 1.00 12.37 C ATOM 2304 O LYS B 33 2.274 22.902 13.543 1.00 12.17 O ATOM 2305 CB LYS B 33 -0.800 22.675 12.247 1.00 18.62 C ATOM 2306 CG LYS B 33 -2.092 23.435 12.479 1.00 24.00 C ATOM 2307 CD LYS B 33 -3.286 22.498 12.509 1.00 27.61 C ATOM 2308 CE LYS B 33 -4.487 23.156 13.160 1.00 27.64 C ATOM 2309 NZ LYS B 33 -5.674 22.262 13.172 1.00 30.06 N ATOM 0 H LYS B 33 0.103 23.690 10.102 1.00 14.22 H new ATOM 0 HA LYS B 33 0.358 24.361 12.926 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -0.882 22.108 11.320 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -0.662 21.953 13.052 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -2.031 23.980 13.421 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -2.228 24.175 11.690 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -3.540 22.197 11.493 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.025 21.591 13.055 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -4.236 23.438 14.182 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -4.731 24.075 12.626 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -6.422 22.686 13.756 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -6.023 22.135 12.201 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -5.408 21.338 13.568 1.00 30.06 H new ATOM 2323 N GLU B 34 2.096 21.920 11.538 1.00 10.11 N ATOM 2324 CA GLU B 34 3.277 21.083 11.734 1.00 10.07 C ATOM 2325 C GLU B 34 4.538 21.788 11.242 1.00 9.32 C ATOM 2326 O GLU B 34 5.550 21.827 11.940 1.00 11.61 O ATOM 2327 CB GLU B 34 3.107 19.743 11.014 1.00 14.77 C ATOM 2328 CG GLU B 34 1.856 18.983 11.430 1.00 18.75 C ATOM 2329 CD GLU B 34 1.838 18.651 12.907 1.00 22.28 C ATOM 2330 OE1 GLU B 34 2.630 17.784 13.337 1.00 21.95 O ATOM 2331 OE2 GLU B 34 1.037 19.258 13.651 1.00 25.19 O ATOM 0 H GLU B 34 1.631 21.792 10.639 1.00 10.11 H new ATOM 0 HA GLU B 34 3.385 20.899 12.803 1.00 10.07 H new ATOM 0 HB2 GLU B 34 3.074 19.919 9.939 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.981 19.122 11.209 1.00 14.77 H new ATOM 0 HG2 GLU B 34 0.976 19.578 11.185 1.00 18.75 H new ATOM 0 HG3 GLU B 34 1.788 18.060 10.854 1.00 18.75 H new ATOM 2338 N GLY B 35 4.475 22.340 10.037 1.00 7.22 N ATOM 2339 CA GLY B 35 5.624 23.039 9.485 1.00 6.29 C ATOM 2340 C GLY B 35 6.255 22.295 8.327 1.00 6.93 C ATOM 2341 O GLY B 35 7.215 22.768 7.722 1.00 7.41 O ATOM 0 H GLY B 35 3.654 22.318 9.433 1.00 7.22 H new ATOM 0 HA2 GLY B 35 5.316 24.030 9.151 1.00 6.29 H new ATOM 0 HA3 GLY B 35 6.368 23.183 10.268 1.00 6.29 H new ATOM 2345 N ILE B 36 5.710 21.131 8.010 1.00 5.86 N ATOM 2346 CA ILE B 36 6.229 20.317 6.919 1.00 6.07 C ATOM 2347 C ILE B 36 5.851 20.927 5.571 1.00 6.36 C ATOM 2348 O ILE B 36 4.678 21.205 5.324 1.00 6.18 O ATOM 2349 CB ILE B 36 5.686 18.875 6.986 1.00 7.47 C ATOM 2350 CG1 ILE B 36 5.684 18.377 8.433 1.00 8.52 C ATOM 2351 CG2 ILE B 36 6.518 17.950 6.104 1.00 7.36 C ATOM 2352 CD1 ILE B 36 4.782 17.184 8.666 1.00 9.49 C ATOM 0 H ILE B 36 4.907 20.727 8.493 1.00 5.86 H new ATOM 0 HA ILE B 36 7.314 20.291 7.022 1.00 6.07 H new ATOM 0 HB ILE B 36 4.661 18.872 6.616 1.00 7.47 H new ATOM 0 HG12 ILE B 36 6.702 18.112 8.718 1.00 8.52 H new ATOM 0 HG13 ILE B 36 5.371 19.191 9.087 1.00 8.52 H new ATOM 0 HG21 ILE B 36 6.121 16.937 6.163 1.00 7.36 H new ATOM 0 HG22 ILE B 36 6.476 18.297 5.071 1.00 7.36 H new ATOM 0 HG23 ILE B 36 7.553 17.955 6.446 1.00 7.36 H new ATOM 0 HD11 ILE B 36 4.833 16.888 9.714 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.755 17.449 8.414 1.00 9.49 H new ATOM 0 HD13 ILE B 36 5.107 16.354 8.039 1.00 9.49 H new ATOM 2364 N PRO B 37 6.840 21.164 4.691 1.00 8.65 N ATOM 2365 CA PRO B 37 6.596 21.737 3.361 1.00 9.18 C ATOM 2366 C PRO B 37 5.659 20.865 2.529 1.00 9.85 C ATOM 2367 O PRO B 37 5.849 19.650 2.441 1.00 8.51 O ATOM 2368 CB PRO B 37 7.985 21.776 2.717 1.00 11.42 C ATOM 2369 CG PRO B 37 8.942 21.716 3.854 1.00 9.27 C ATOM 2370 CD PRO B 37 8.270 20.900 4.919 1.00 8.33 C ATOM 0 HA PRO B 37 6.117 22.714 3.423 1.00 9.18 H new ATOM 0 HB2 PRO B 37 8.128 20.936 2.037 1.00 11.42 H new ATOM 0 HB3 PRO B 37 8.123 22.686 2.133 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.883 21.259 3.548 1.00 9.27 H new ATOM 0 HG3 PRO B 37 9.177 22.716 4.219 1.00 9.27 H new ATOM 0 HD2 PRO B 37 8.504 19.840 4.822 1.00 8.33 H new ATOM 0 HD3 PRO B 37 8.582 21.206 5.918 1.00 8.33 H new ATOM 2378 N PRO B 38 4.628 21.472 1.918 1.00 8.71 N ATOM 2379 CA PRO B 38 3.652 20.757 1.079 1.00 9.08 C ATOM 2380 C PRO B 38 4.310 19.935 -0.027 1.00 9.28 C ATOM 2381 O PRO B 38 3.795 18.889 -0.422 1.00 6.50 O ATOM 2382 CB PRO B 38 2.819 21.888 0.476 1.00 10.31 C ATOM 2383 CG PRO B 38 2.908 22.980 1.480 1.00 10.81 C ATOM 2384 CD PRO B 38 4.309 22.910 2.012 1.00 12.00 C ATOM 0 HA PRO B 38 3.075 20.034 1.656 1.00 9.08 H new ATOM 0 HB2 PRO B 38 3.214 22.202 -0.490 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.786 21.579 0.313 1.00 10.31 H new ATOM 0 HG2 PRO B 38 2.707 23.950 1.026 1.00 10.81 H new ATOM 0 HG3 PRO B 38 2.177 22.843 2.277 1.00 10.81 H new ATOM 0 HD2 PRO B 38 4.996 23.515 1.421 1.00 12.00 H new ATOM 0 HD3 PRO B 38 4.369 23.271 3.039 1.00 12.00 H new ATOM 2392 N ASP B 39 5.460 20.399 -0.508 1.00 11.20 N ATOM 2393 CA ASP B 39 6.184 19.704 -1.571 1.00 14.96 C ATOM 2394 C ASP B 39 6.743 18.365 -1.095 1.00 13.99 C ATOM 2395 O ASP B 39 7.124 17.522 -1.906 1.00 13.75 O ATOM 2396 CB ASP B 39 7.329 20.563 -2.110 1.00 24.16 C ATOM 2397 CG ASP B 39 6.976 21.258 -3.409 1.00 31.06 C ATOM 2398 OD1 ASP B 39 6.676 20.563 -4.403 1.00 35.55 O ATOM 2399 OD2 ASP B 39 7.010 22.504 -3.447 1.00 34.22 O ATOM 0 H ASP B 39 5.911 21.253 -0.180 1.00 11.20 H new ATOM 0 HA ASP B 39 5.464 19.518 -2.368 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.599 21.311 -1.364 1.00 24.16 H new ATOM 0 HB3 ASP B 39 8.207 19.936 -2.265 1.00 24.16 H new ATOM 2404 N GLN B 40 6.793 18.173 0.218 1.00 11.60 N ATOM 2405 CA GLN B 40 7.305 16.934 0.789 1.00 10.76 C ATOM 2406 C GLN B 40 6.176 16.138 1.429 1.00 8.01 C ATOM 2407 O GLN B 40 6.403 15.083 2.022 1.00 8.96 O ATOM 2408 CB GLN B 40 8.387 17.230 1.831 1.00 11.14 C ATOM 2409 CG GLN B 40 9.540 18.060 1.292 1.00 14.85 C ATOM 2410 CD GLN B 40 10.628 18.291 2.320 1.00 16.11 C ATOM 2411 OE1 GLN B 40 10.370 18.313 3.524 1.00 20.52 O ATOM 2412 NE2 GLN B 40 11.851 18.472 1.852 1.00 18.16 N ATOM 0 H GLN B 40 6.485 18.860 0.907 1.00 11.60 H new ATOM 0 HA GLN B 40 7.743 16.343 -0.015 1.00 10.76 H new ATOM 0 HB2 GLN B 40 7.935 17.755 2.673 1.00 11.14 H new ATOM 0 HB3 GLN B 40 8.777 16.288 2.215 1.00 11.14 H new ATOM 0 HG2 GLN B 40 9.968 17.559 0.424 1.00 14.85 H new ATOM 0 HG3 GLN B 40 9.160 19.022 0.950 1.00 14.85 H new ATOM 0 HE21 GLN B 40 12.021 18.446 0.847 1.00 18.16 H new ATOM 0 HE22 GLN B 40 12.624 18.638 2.496 1.00 18.16 H new ATOM 2421 N GLN B 41 4.958 16.645 1.292 1.00 6.52 N ATOM 2422 CA GLN B 41 3.788 15.997 1.862 1.00 3.87 C ATOM 2423 C GLN B 41 3.156 15.029 0.866 1.00 4.79 C ATOM 2424 O GLN B 41 2.679 15.442 -0.194 1.00 6.34 O ATOM 2425 CB GLN B 41 2.748 17.039 2.266 1.00 4.20 C ATOM 2426 CG GLN B 41 3.142 17.918 3.445 1.00 3.20 C ATOM 2427 CD GLN B 41 2.047 18.908 3.795 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.869 18.640 3.582 1.00 5.21 O ATOM 2429 NE2 GLN B 41 2.420 20.059 4.324 1.00 7.13 N ATOM 0 H GLN B 41 4.756 17.508 0.788 1.00 6.52 H new ATOM 0 HA GLN B 41 4.115 15.441 2.740 1.00 3.87 H new ATOM 0 HB2 GLN B 41 2.544 17.679 1.407 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.817 16.526 2.509 1.00 4.20 H new ATOM 0 HG2 GLN B 41 3.357 17.291 4.311 1.00 3.20 H new ATOM 0 HG3 GLN B 41 4.059 18.458 3.207 1.00 3.20 H new ATOM 0 HE21 GLN B 41 3.409 20.249 4.487 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.719 20.758 4.569 1.00 7.13 H new ATOM 2438 N ARG B 42 3.169 13.750 1.200 1.00 5.73 N ATOM 2439 CA ARG B 42 2.568 12.732 0.354 1.00 6.97 C ATOM 2440 C ARG B 42 1.292 12.217 1.008 1.00 7.15 C ATOM 2441 O ARG B 42 1.342 11.478 1.991 1.00 7.33 O ATOM 2442 CB ARG B 42 3.543 11.577 0.107 1.00 13.23 C ATOM 2443 CG ARG B 42 4.579 11.873 -0.969 1.00 21.27 C ATOM 2444 CD ARG B 42 3.984 11.727 -2.360 1.00 26.14 C ATOM 2445 NE ARG B 42 4.831 12.326 -3.393 1.00 32.26 N ATOM 2446 CZ ARG B 42 5.585 11.633 -4.242 1.00 34.32 C ATOM 2447 NH1 ARG B 42 5.647 10.308 -4.155 1.00 35.30 N ATOM 2448 NH2 ARG B 42 6.277 12.265 -5.179 1.00 36.39 N ATOM 0 H ARG B 42 3.591 13.390 2.056 1.00 5.73 H new ATOM 0 HA ARG B 42 2.327 13.177 -0.611 1.00 6.97 H new ATOM 0 HB2 ARG B 42 4.057 11.341 1.039 1.00 13.23 H new ATOM 0 HB3 ARG B 42 2.978 10.690 -0.179 1.00 13.23 H new ATOM 0 HG2 ARG B 42 4.963 12.885 -0.839 1.00 21.27 H new ATOM 0 HG3 ARG B 42 5.425 11.195 -0.859 1.00 21.27 H new ATOM 0 HD2 ARG B 42 3.838 10.670 -2.581 1.00 26.14 H new ATOM 0 HD3 ARG B 42 3.000 12.196 -2.383 1.00 26.14 H new ATOM 0 HE ARG B 42 4.844 13.343 -3.467 1.00 32.26 H new ATOM 0 HH11 ARG B 42 5.115 9.819 -3.435 1.00 35.30 H new ATOM 0 HH12 ARG B 42 6.226 9.781 -4.808 1.00 35.30 H new ATOM 0 HH21 ARG B 42 6.231 13.282 -5.249 1.00 36.39 H new ATOM 0 HH22 ARG B 42 6.856 11.735 -5.831 1.00 36.39 H new ATOM 2462 N LEU B 43 0.154 12.634 0.467 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.142 12.236 1.001 1.00 3.51 C ATOM 2464 C LEU B 43 -1.645 10.972 0.320 1.00 5.56 C ATOM 2465 O LEU B 43 -1.860 10.946 -0.894 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.164 13.364 0.833 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.116 14.461 1.901 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.031 15.614 1.519 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -2.509 13.897 3.259 1.00 6.41 C ATOM 0 H LEU B 43 0.103 13.250 -0.344 1.00 4.65 H new ATOM 0 HA LEU B 43 -1.017 12.030 2.064 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.014 13.825 -0.143 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.163 12.928 0.829 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.095 14.837 1.965 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -2.985 16.385 2.288 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -2.709 16.033 0.566 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.055 15.251 1.429 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -2.470 14.689 4.007 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -3.521 13.496 3.207 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -1.818 13.101 3.536 1.00 6.41 H new ATOM 2481 N ILE B 44 -1.831 9.930 1.114 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.300 8.647 0.622 1.00 5.55 C ATOM 2483 C ILE B 44 -3.683 8.337 1.178 1.00 5.46 C ATOM 2484 O ILE B 44 -3.982 8.648 2.333 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.340 7.502 1.017 1.00 6.80 C ATOM 2486 CG1 ILE B 44 0.108 7.994 1.031 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -1.491 6.326 0.061 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.669 8.188 2.419 1.00 13.90 C ATOM 0 H ILE B 44 -1.660 9.951 2.119 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.341 8.716 -0.465 1.00 5.55 H new ATOM 0 HB ILE B 44 -1.600 7.168 2.021 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.731 7.279 0.494 1.00 10.31 H new ATOM 0 HG13 ILE B 44 0.167 8.938 0.489 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -0.808 5.529 0.354 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -2.516 5.957 0.097 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -1.258 6.649 -0.953 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.699 8.538 2.350 1.00 13.90 H new ATOM 0 HD12 ILE B 44 0.071 8.926 2.953 1.00 13.90 H new ATOM 0 HD13 ILE B 44 0.643 7.241 2.958 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.519 7.732 0.354 1.00 6.75 N ATOM 2501 CA PHE B 45 -5.865 7.373 0.757 1.00 4.70 C ATOM 2502 C PHE B 45 -6.245 6.018 0.171 1.00 6.34 C ATOM 2503 O PHE B 45 -6.777 5.948 -0.934 1.00 5.45 O ATOM 2504 CB PHE B 45 -6.855 8.451 0.297 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.180 8.412 1.003 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.317 8.948 2.274 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.292 7.850 0.394 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.535 8.921 2.926 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.511 7.819 1.041 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.634 8.356 2.308 1.00 6.84 C ATOM 0 H PHE B 45 -4.286 7.478 -0.606 1.00 6.75 H new ATOM 0 HA PHE B 45 -5.903 7.304 1.844 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.404 9.431 0.449 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -7.023 8.340 -0.774 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.461 9.392 2.761 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.203 7.432 -0.598 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -9.628 9.341 3.917 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.368 7.375 0.557 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.588 8.334 2.815 1.00 6.84 H new ATOM 2520 N ALA B 46 -5.929 4.950 0.907 1.00 6.53 N ATOM 2521 CA ALA B 46 -6.238 3.578 0.489 1.00 7.15 C ATOM 2522 C ALA B 46 -5.511 3.211 -0.800 1.00 9.00 C ATOM 2523 O ALA B 46 -6.134 2.814 -1.790 1.00 11.15 O ATOM 2524 CB ALA B 46 -7.742 3.382 0.328 1.00 8.99 C ATOM 0 H ALA B 46 -5.453 5.010 1.807 1.00 6.53 H new ATOM 0 HA ALA B 46 -5.886 2.910 1.275 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -7.944 2.357 0.018 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -8.238 3.578 1.278 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -8.120 4.071 -0.427 1.00 8.99 H new ATOM 2530 N GLY B 47 -4.190 3.346 -0.784 1.00 9.35 N ATOM 2531 CA GLY B 47 -3.390 3.017 -1.953 1.00 11.68 C ATOM 2532 C GLY B 47 -3.613 3.973 -3.112 1.00 11.14 C ATOM 2533 O GLY B 47 -3.319 3.646 -4.264 1.00 13.93 O ATOM 0 H GLY B 47 -3.656 3.678 0.019 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -2.335 3.027 -1.679 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -3.627 2.003 -2.275 1.00 11.68 H new ATOM 2537 N LYS B 48 -4.144 5.146 -2.810 1.00 10.47 N ATOM 2538 CA LYS B 48 -4.399 6.159 -3.823 1.00 8.82 C ATOM 2539 C LYS B 48 -3.683 7.449 -3.453 1.00 7.68 C ATOM 2540 O LYS B 48 -3.555 7.773 -2.273 1.00 6.47 O ATOM 2541 CB LYS B 48 -5.903 6.416 -3.965 1.00 9.74 C ATOM 2542 CG LYS B 48 -6.668 5.261 -4.598 1.00 14.14 C ATOM 2543 CD LYS B 48 -8.172 5.425 -4.434 1.00 16.32 C ATOM 2544 CE LYS B 48 -8.639 4.956 -3.063 1.00 20.04 C ATOM 2545 NZ LYS B 48 -10.070 5.271 -2.816 1.00 23.92 N ATOM 0 H LYS B 48 -4.409 5.422 -1.865 1.00 10.47 H new ATOM 0 HA LYS B 48 -4.020 5.798 -4.779 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -6.322 6.620 -2.979 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -6.054 7.312 -4.567 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -6.422 5.199 -5.658 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -6.352 4.322 -4.142 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -8.442 6.472 -4.573 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -8.687 4.857 -5.209 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -8.486 3.880 -2.978 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -8.028 5.426 -2.293 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -10.342 4.933 -1.871 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -10.213 6.300 -2.870 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -10.658 4.801 -3.534 1.00 23.92 H new ATOM 2559 N GLN B 49 -3.211 8.173 -4.454 1.00 8.89 N ATOM 2560 CA GLN B 49 -2.507 9.424 -4.222 1.00 7.18 C ATOM 2561 C GLN B 49 -3.418 10.610 -4.507 1.00 8.23 C ATOM 2562 O GLN B 49 -4.046 10.688 -5.567 1.00 9.70 O ATOM 2563 CB GLN B 49 -1.244 9.494 -5.084 1.00 11.67 C ATOM 2564 CG GLN B 49 -0.073 8.721 -4.496 1.00 15.82 C ATOM 2565 CD GLN B 49 0.347 9.246 -3.141 1.00 20.21 C ATOM 2566 OE1 GLN B 49 -0.255 8.711 -2.097 1.00 23.23 O flip ATOM 2567 NE2 GLN B 49 1.202 10.124 -3.033 1.00 20.67 N flip ATOM 0 H GLN B 49 -3.303 7.916 -5.437 1.00 8.89 H new ATOM 0 HA GLN B 49 -2.210 9.465 -3.174 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -1.467 9.103 -6.077 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -0.955 10.538 -5.210 1.00 11.67 H new ATOM 0 HG2 GLN B 49 -0.345 7.669 -4.406 1.00 15.82 H new ATOM 0 HG3 GLN B 49 0.773 8.774 -5.181 1.00 15.82 H new ATOM 0 HE21 GLN B 49 1.644 10.511 -3.867 1.00 20.67 H new ATOM 0 HE22 GLN B 49 1.469 10.465 -2.109 1.00 20.67 H new ATOM 2576 N LEU B 50 -3.489 11.528 -3.555 1.00 6.51 N ATOM 2577 CA LEU B 50 -4.336 12.706 -3.693 1.00 7.41 C ATOM 2578 C LEU B 50 -3.642 13.790 -4.514 1.00 8.27 C ATOM 2579 O LEU B 50 -2.437 14.019 -4.375 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.714 13.258 -2.314 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.309 12.237 -1.337 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -5.719 12.915 -0.039 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.503 11.529 -1.957 1.00 9.11 C ATOM 0 H LEU B 50 -2.971 11.481 -2.678 1.00 6.51 H new ATOM 0 HA LEU B 50 -5.243 12.405 -4.218 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -3.824 13.694 -1.860 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -5.432 14.067 -2.450 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.542 11.494 -1.117 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.139 12.174 0.642 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -4.846 13.377 0.422 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -6.466 13.680 -0.249 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -6.909 10.809 -1.246 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -7.270 12.262 -2.209 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -6.188 11.008 -2.861 1.00 9.11 H new ATOM 2595 N GLU B 51 -4.406 14.442 -5.376 1.00 9.43 N ATOM 2596 CA GLU B 51 -3.884 15.505 -6.223 1.00 11.90 C ATOM 2597 C GLU B 51 -4.247 16.869 -5.651 1.00 11.49 C ATOM 2598 O GLU B 51 -5.395 17.108 -5.281 1.00 9.88 O ATOM 2599 CB GLU B 51 -4.437 15.366 -7.637 1.00 16.56 C ATOM 2600 CG GLU B 51 -4.086 14.040 -8.288 1.00 26.06 C ATOM 2601 CD GLU B 51 -4.859 13.797 -9.562 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -4.466 14.343 -10.611 1.00 33.44 O ATOM 2603 OE2 GLU B 51 -5.865 13.055 -9.521 1.00 32.13 O ATOM 0 H GLU B 51 -5.399 14.252 -5.509 1.00 9.43 H new ATOM 0 HA GLU B 51 -2.798 15.421 -6.257 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -5.521 15.474 -7.609 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -4.052 16.179 -8.253 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -3.018 14.017 -8.505 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -4.286 13.230 -7.586 1.00 26.06 H new ATOM 2610 N ASP B 52 -3.263 17.759 -5.605 1.00 12.71 N ATOM 2611 CA ASP B 52 -3.449 19.110 -5.066 1.00 16.56 C ATOM 2612 C ASP B 52 -4.533 19.885 -5.811 1.00 15.83 C ATOM 2613 O ASP B 52 -5.172 20.774 -5.243 1.00 17.21 O ATOM 2614 CB ASP B 52 -2.140 19.900 -5.127 1.00 21.05 C ATOM 2615 CG ASP B 52 -1.130 19.454 -4.090 1.00 25.12 C ATOM 2616 OD1 ASP B 52 -1.422 19.554 -2.883 1.00 28.37 O ATOM 2617 OD2 ASP B 52 -0.031 18.997 -4.481 1.00 25.82 O ATOM 0 H ASP B 52 -2.317 17.571 -5.937 1.00 12.71 H new ATOM 0 HA ASP B 52 -3.764 18.991 -4.029 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -1.704 19.793 -6.120 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -2.354 20.959 -4.985 1.00 21.05 H new ATOM 2622 N GLY B 53 -4.739 19.545 -7.076 1.00 15.00 N ATOM 2623 CA GLY B 53 -5.732 20.232 -7.880 1.00 11.77 C ATOM 2624 C GLY B 53 -7.129 19.651 -7.750 1.00 11.10 C ATOM 2625 O GLY B 53 -8.025 20.021 -8.505 1.00 11.25 O ATOM 0 H GLY B 53 -4.235 18.803 -7.562 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.757 21.283 -7.592 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -5.428 20.195 -8.926 1.00 11.77 H new ATOM 2629 N ARG B 54 -7.331 18.745 -6.802 1.00 8.53 N ATOM 2630 CA ARG B 54 -8.644 18.143 -6.610 1.00 9.05 C ATOM 2631 C ARG B 54 -9.258 18.581 -5.289 1.00 8.96 C ATOM 2632 O ARG B 54 -8.561 19.076 -4.397 1.00 11.60 O ATOM 2633 CB ARG B 54 -8.566 16.615 -6.666 1.00 7.97 C ATOM 2634 CG ARG B 54 -8.433 16.051 -8.075 1.00 9.62 C ATOM 2635 CD ARG B 54 -9.587 16.491 -8.966 1.00 12.20 C ATOM 2636 NE ARG B 54 -9.468 15.955 -10.320 1.00 18.23 N ATOM 2637 CZ ARG B 54 -9.843 16.606 -11.420 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -10.429 17.799 -11.336 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -9.645 16.050 -12.606 1.00 23.38 N ATOM 0 H ARG B 54 -6.611 18.413 -6.160 1.00 8.53 H new ATOM 0 HA ARG B 54 -9.282 18.488 -7.424 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -7.715 16.283 -6.071 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -9.460 16.199 -6.202 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -7.490 16.379 -8.512 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -8.402 14.962 -8.030 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -10.529 16.162 -8.528 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -9.618 17.580 -9.008 1.00 12.20 H new ATOM 0 HE ARG B 54 -9.072 15.021 -10.430 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -10.595 18.223 -10.423 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -10.712 18.289 -12.185 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -9.209 15.130 -12.672 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -9.929 16.541 -13.453 1.00 23.38 H new ATOM 2653 N THR B 55 -10.563 18.399 -5.176 1.00 9.05 N ATOM 2654 CA THR B 55 -11.290 18.766 -3.976 1.00 9.03 C ATOM 2655 C THR B 55 -11.530 17.539 -3.103 1.00 8.15 C ATOM 2656 O THR B 55 -11.478 16.406 -3.587 1.00 5.91 O ATOM 2657 CB THR B 55 -12.645 19.417 -4.325 1.00 11.15 C ATOM 2658 OG1 THR B 55 -12.793 19.523 -5.750 1.00 11.95 O ATOM 2659 CG2 THR B 55 -12.764 20.801 -3.708 1.00 11.71 C ATOM 0 H THR B 55 -11.144 17.995 -5.910 1.00 9.05 H new ATOM 0 HA THR B 55 -10.683 19.488 -3.430 1.00 9.03 H new ATOM 0 HB THR B 55 -13.432 18.782 -3.919 1.00 11.15 H new ATOM 0 HG1 THR B 55 -13.009 18.643 -6.123 1.00 11.95 H new ATOM 0 HG21 THR B 55 -13.729 21.235 -3.971 1.00 11.71 H new ATOM 0 HG22 THR B 55 -12.684 20.724 -2.624 1.00 11.71 H new ATOM 0 HG23 THR B 55 -11.964 21.438 -4.086 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.795 17.763 -1.822 1.00 6.91 N ATOM 2668 CA LEU B 56 -12.050 16.665 -0.892 1.00 8.29 C ATOM 2669 C LEU B 56 -13.308 15.899 -1.290 1.00 8.05 C ATOM 2670 O LEU B 56 -13.418 14.692 -1.051 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.185 17.198 0.536 1.00 6.60 C ATOM 2672 CG LEU B 56 -10.935 17.880 1.094 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -11.237 18.536 2.426 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -9.802 16.878 1.242 1.00 8.64 C ATOM 0 H LEU B 56 -11.839 18.692 -1.402 1.00 6.91 H new ATOM 0 HA LEU B 56 -11.203 15.980 -0.933 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.011 17.908 0.566 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.452 16.370 1.193 1.00 6.60 H new ATOM 0 HG LEU B 56 -10.623 18.653 0.391 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -10.336 19.016 2.808 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -12.019 19.284 2.294 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -11.574 17.780 3.136 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -8.921 17.381 1.640 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -10.106 16.084 1.924 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.566 16.449 0.268 1.00 8.64 H new ATOM 2686 N SER B 57 -14.244 16.604 -1.915 1.00 8.92 N ATOM 2687 CA SER B 57 -15.491 16.002 -2.362 1.00 9.00 C ATOM 2688 C SER B 57 -15.247 15.036 -3.520 1.00 9.44 C ATOM 2689 O SER B 57 -16.023 14.106 -3.741 1.00 10.91 O ATOM 2690 CB SER B 57 -16.464 17.102 -2.789 1.00 10.32 C ATOM 2691 OG SER B 57 -15.758 18.211 -3.326 1.00 13.59 O ATOM 0 H SER B 57 -14.160 17.599 -2.124 1.00 8.92 H new ATOM 0 HA SER B 57 -15.921 15.436 -1.536 1.00 9.00 H new ATOM 0 HB2 SER B 57 -17.159 16.712 -3.532 1.00 10.32 H new ATOM 0 HB3 SER B 57 -17.058 17.422 -1.933 1.00 10.32 H new ATOM 0 HG SER B 57 -15.677 18.909 -2.643 1.00 13.59 H new ATOM 2697 N ASP B 58 -14.147 15.253 -4.240 1.00 9.11 N ATOM 2698 CA ASP B 58 -13.789 14.416 -5.380 1.00 7.91 C ATOM 2699 C ASP B 58 -13.471 12.996 -4.937 1.00 9.12 C ATOM 2700 O ASP B 58 -13.882 12.030 -5.575 1.00 8.61 O ATOM 2701 CB ASP B 58 -12.578 14.994 -6.117 1.00 8.41 C ATOM 2702 CG ASP B 58 -12.943 16.115 -7.065 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -13.752 15.880 -7.987 1.00 10.05 O ATOM 2704 OD2 ASP B 58 -12.413 17.233 -6.899 1.00 11.70 O ATOM 0 H ASP B 58 -13.486 16.007 -4.051 1.00 9.11 H new ATOM 0 HA ASP B 58 -14.647 14.396 -6.052 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -11.857 15.363 -5.387 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -12.086 14.198 -6.676 1.00 8.41 H new ATOM 2709 N TYR B 59 -12.747 12.876 -3.834 1.00 7.97 N ATOM 2710 CA TYR B 59 -12.358 11.570 -3.312 1.00 8.45 C ATOM 2711 C TYR B 59 -13.415 11.023 -2.360 1.00 10.98 C ATOM 2712 O TYR B 59 -13.203 10.004 -1.700 1.00 12.95 O ATOM 2713 CB TYR B 59 -11.000 11.665 -2.613 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.892 12.107 -3.539 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -9.332 11.222 -4.448 1.00 4.59 C ATOM 2716 CD2 TYR B 59 -9.416 13.412 -3.514 1.00 6.98 C ATOM 2717 CE1 TYR B 59 -8.327 11.621 -5.306 1.00 5.39 C ATOM 2718 CE2 TYR B 59 -8.409 13.820 -4.368 1.00 6.52 C ATOM 2719 CZ TYR B 59 -7.870 12.920 -5.263 1.00 6.76 C ATOM 2720 OH TYR B 59 -6.874 13.322 -6.120 1.00 7.63 O ATOM 0 H TYR B 59 -12.416 13.667 -3.281 1.00 7.97 H new ATOM 0 HA TYR B 59 -12.274 10.878 -4.150 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -11.073 12.366 -1.782 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -10.746 10.693 -2.189 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -9.688 10.203 -4.485 1.00 4.59 H new ATOM 0 HD2 TYR B 59 -9.840 14.119 -2.816 1.00 6.98 H new ATOM 0 HE1 TYR B 59 -7.901 10.919 -6.007 1.00 5.39 H new ATOM 0 HE2 TYR B 59 -8.047 14.837 -4.335 1.00 6.52 H new ATOM 0 HH TYR B 59 -7.224 13.356 -7.035 1.00 7.63 H new ATOM 2730 N ASN B 60 -14.555 11.713 -2.308 1.00 12.38 N ATOM 2731 CA ASN B 60 -15.678 11.321 -1.456 1.00 13.94 C ATOM 2732 C ASN B 60 -15.272 11.271 0.010 1.00 14.16 C ATOM 2733 O ASN B 60 -15.745 10.423 0.772 1.00 14.26 O ATOM 2734 CB ASN B 60 -16.238 9.965 -1.894 1.00 19.23 C ATOM 2735 CG ASN B 60 -16.982 10.042 -3.211 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -18.187 10.289 -3.243 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -16.272 9.829 -4.306 1.00 24.09 N ATOM 0 H ASN B 60 -14.726 12.557 -2.854 1.00 12.38 H new ATOM 0 HA ASN B 60 -16.455 12.077 -1.566 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -15.420 9.250 -1.984 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -16.909 9.587 -1.123 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -16.722 9.867 -5.221 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.275 9.627 -4.236 1.00 24.09 H new ATOM 2744 N ILE B 61 -14.396 12.183 0.401 1.00 11.08 N ATOM 2745 CA ILE B 61 -13.932 12.250 1.774 1.00 11.78 C ATOM 2746 C ILE B 61 -15.005 12.867 2.659 1.00 13.74 C ATOM 2747 O ILE B 61 -15.495 13.966 2.388 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.618 13.054 1.893 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -11.506 12.362 1.097 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -12.215 13.212 3.357 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -10.221 13.160 1.014 1.00 11.42 C ATOM 0 H ILE B 61 -13.992 12.888 -0.216 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.730 11.232 2.107 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.777 14.049 1.478 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -11.293 11.396 1.554 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.865 12.164 0.087 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -11.287 13.781 3.420 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -13.002 13.740 3.896 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -12.068 12.228 3.802 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -9.484 12.604 0.435 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -10.417 14.116 0.529 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.836 13.335 2.019 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.384 12.136 3.692 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.404 12.585 4.625 1.00 15.52 C ATOM 2765 C GLN B 62 -15.783 12.853 5.993 1.00 13.94 C ATOM 2766 O GLN B 62 -14.559 12.941 6.123 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.494 11.520 4.747 1.00 19.53 C ATOM 2768 CG GLN B 62 -18.300 11.321 3.476 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.627 9.862 3.222 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -19.613 9.339 3.738 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -17.811 9.202 2.417 1.00 32.71 N ATOM 0 H GLN B 62 -14.996 11.218 3.908 1.00 13.97 H new ATOM 0 HA GLN B 62 -16.845 13.510 4.253 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -17.034 10.572 5.026 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -18.170 11.796 5.556 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -19.226 11.892 3.543 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -17.741 11.718 2.629 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -17.004 9.674 2.010 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -17.989 8.221 2.203 1.00 32.71 H new ATOM 2780 N LYS B 63 -16.625 12.977 7.003 1.00 11.73 N ATOM 2781 CA LYS B 63 -16.157 13.216 8.357 1.00 11.97 C ATOM 2782 C LYS B 63 -15.564 11.939 8.944 1.00 10.41 C ATOM 2783 O LYS B 63 -15.971 10.833 8.582 1.00 9.59 O ATOM 2784 CB LYS B 63 -17.303 13.723 9.240 1.00 13.73 C ATOM 2785 CG LYS B 63 -18.455 12.738 9.383 1.00 16.98 C ATOM 2786 CD LYS B 63 -19.566 13.299 10.254 1.00 20.19 C ATOM 2787 CE LYS B 63 -20.743 12.342 10.345 1.00 23.42 C ATOM 2788 NZ LYS B 63 -21.759 12.802 11.327 1.00 25.97 N ATOM 0 H LYS B 63 -17.639 12.916 6.911 1.00 11.73 H new ATOM 0 HA LYS B 63 -15.381 13.981 8.324 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -16.911 13.954 10.230 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -17.685 14.655 8.823 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -18.852 12.496 8.397 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.087 11.808 9.816 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -19.180 13.498 11.254 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -19.902 14.252 9.847 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.206 12.243 9.363 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -20.385 11.353 10.630 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -22.545 12.121 11.358 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -21.324 12.873 12.269 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -22.120 13.735 11.042 1.00 25.97 H new ATOM 2802 N GLU B 64 -14.577 12.108 9.823 1.00 10.04 N ATOM 2803 CA GLU B 64 -13.908 10.994 10.498 1.00 10.94 C ATOM 2804 C GLU B 64 -13.169 10.084 9.514 1.00 9.74 C ATOM 2805 O GLU B 64 -12.928 8.910 9.801 1.00 9.42 O ATOM 2806 CB GLU B 64 -14.913 10.178 11.318 1.00 18.31 C ATOM 2807 CG GLU B 64 -15.738 11.020 12.280 1.00 24.16 C ATOM 2808 CD GLU B 64 -16.631 10.185 13.172 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -17.198 9.183 12.685 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -16.775 10.532 14.364 1.00 32.61 O ATOM 0 H GLU B 64 -14.217 13.025 10.089 1.00 10.04 H new ATOM 0 HA GLU B 64 -13.165 11.426 11.169 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -15.585 9.655 10.638 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -14.375 9.417 11.883 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -15.068 11.616 12.900 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -16.351 11.718 11.710 1.00 24.16 H new ATOM 2817 N SER B 65 -12.811 10.624 8.358 1.00 6.85 N ATOM 2818 CA SER B 65 -12.086 9.853 7.358 1.00 6.90 C ATOM 2819 C SER B 65 -10.612 9.759 7.731 1.00 4.72 C ATOM 2820 O SER B 65 -10.003 10.751 8.137 1.00 3.91 O ATOM 2821 CB SER B 65 -12.233 10.491 5.976 1.00 7.28 C ATOM 2822 OG SER B 65 -13.595 10.569 5.594 1.00 10.56 O ATOM 0 H SER B 65 -13.009 11.588 8.090 1.00 6.85 H new ATOM 0 HA SER B 65 -12.510 8.849 7.326 1.00 6.90 H new ATOM 0 HB2 SER B 65 -11.796 11.490 5.985 1.00 7.28 H new ATOM 0 HB3 SER B 65 -11.679 9.907 5.241 1.00 7.28 H new ATOM 0 HG SER B 65 -13.837 11.505 5.433 1.00 10.56 H new ATOM 2828 N THR B 66 -10.047 8.569 7.607 1.00 4.48 N ATOM 2829 CA THR B 66 -8.652 8.362 7.930 1.00 3.80 C ATOM 2830 C THR B 66 -7.784 8.495 6.686 1.00 4.60 C ATOM 2831 O THR B 66 -7.917 7.722 5.736 1.00 5.33 O ATOM 2832 CB THR B 66 -8.419 6.976 8.557 1.00 2.85 C ATOM 2833 OG1 THR B 66 -9.639 6.483 9.134 1.00 2.15 O ATOM 2834 CG2 THR B 66 -7.332 7.044 9.623 1.00 3.40 C ATOM 0 H THR B 66 -10.536 7.734 7.285 1.00 4.48 H new ATOM 0 HA THR B 66 -8.374 9.128 8.654 1.00 3.80 H new ATOM 0 HB THR B 66 -8.094 6.294 7.771 1.00 2.85 H new ATOM 0 HG1 THR B 66 -9.481 5.600 9.529 1.00 2.15 H new ATOM 0 HG21 THR B 66 -7.183 6.054 10.054 1.00 3.40 H new ATOM 0 HG22 THR B 66 -6.401 7.388 9.172 1.00 3.40 H new ATOM 0 HG23 THR B 66 -7.634 7.739 10.407 1.00 3.40 H new ATOM 2842 N LEU B 67 -6.916 9.491 6.695 1.00 4.17 N ATOM 2843 CA LEU B 67 -6.006 9.731 5.591 1.00 3.85 C ATOM 2844 C LEU B 67 -4.596 9.378 6.037 1.00 3.80 C ATOM 2845 O LEU B 67 -4.348 9.214 7.231 1.00 5.54 O ATOM 2846 CB LEU B 67 -6.056 11.198 5.142 1.00 7.18 C ATOM 2847 CG LEU B 67 -7.428 11.712 4.694 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.171 12.358 5.855 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -7.272 12.699 3.550 1.00 11.66 C ATOM 0 H LEU B 67 -6.823 10.153 7.465 1.00 4.17 H new ATOM 0 HA LEU B 67 -6.303 9.111 4.745 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -5.706 11.822 5.964 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -5.353 11.331 4.320 1.00 7.18 H new ATOM 0 HG LEU B 67 -8.015 10.862 4.347 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.142 12.715 5.512 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -8.314 11.625 6.649 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -7.590 13.198 6.237 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -8.254 13.056 3.241 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.665 13.543 3.878 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -6.784 12.207 2.709 1.00 11.66 H new ATOM 2861 N HIS B 68 -3.679 9.253 5.098 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.305 8.926 5.438 1.00 4.17 C ATOM 2863 C HIS B 68 -1.356 9.976 4.891 1.00 5.32 C ATOM 2864 O HIS B 68 -1.489 10.406 3.749 1.00 7.70 O ATOM 2865 CB HIS B 68 -1.926 7.547 4.905 1.00 5.57 C ATOM 2866 CG HIS B 68 -1.544 6.586 5.985 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -2.072 5.323 6.089 1.00 13.74 N ATOM 2868 CD2 HIS B 68 -0.693 6.720 7.030 1.00 12.79 C ATOM 2869 CE1 HIS B 68 -1.566 4.723 7.147 1.00 14.75 C ATOM 2870 NE2 HIS B 68 -0.724 5.544 7.737 1.00 16.30 N ATOM 0 H HIS B 68 -3.856 9.371 4.101 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.222 8.910 6.525 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -2.766 7.138 4.343 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -1.095 7.649 4.207 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -2.750 4.913 5.447 1.00 13.74 H new ATOM 0 HD2 HIS B 68 -0.099 7.591 7.264 1.00 12.79 H new ATOM 0 HE1 HIS B 68 -1.803 3.722 7.476 1.00 14.75 H new ATOM 0 HE2 HIS B 68 -0.185 5.341 8.579 1.00 16.30 H new ATOM 2879 N LEU B 69 -0.412 10.398 5.713 1.00 5.29 N ATOM 2880 CA LEU B 69 0.558 11.396 5.300 1.00 3.97 C ATOM 2881 C LEU B 69 1.975 10.882 5.500 1.00 5.07 C ATOM 2882 O LEU B 69 2.412 10.653 6.630 1.00 4.34 O ATOM 2883 CB LEU B 69 0.357 12.695 6.083 1.00 6.08 C ATOM 2884 CG LEU B 69 1.334 13.824 5.743 1.00 7.37 C ATOM 2885 CD1 LEU B 69 1.098 14.331 4.328 1.00 6.87 C ATOM 2886 CD2 LEU B 69 1.206 14.962 6.745 1.00 9.96 C ATOM 0 H LEU B 69 -0.296 10.065 6.670 1.00 5.29 H new ATOM 0 HA LEU B 69 0.407 11.598 4.240 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -0.658 13.051 5.909 1.00 6.08 H new ATOM 0 HB3 LEU B 69 0.439 12.474 7.147 1.00 6.08 H new ATOM 0 HG LEU B 69 2.347 13.427 5.800 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.802 15.133 4.107 1.00 6.87 H new ATOM 0 HD12 LEU B 69 1.243 13.515 3.620 1.00 6.87 H new ATOM 0 HD13 LEU B 69 0.079 14.709 4.242 1.00 6.87 H new ATOM 0 HD21 LEU B 69 1.908 15.755 6.487 1.00 9.96 H new ATOM 0 HD22 LEU B 69 0.190 15.355 6.721 1.00 9.96 H new ATOM 0 HD23 LEU B 69 1.428 14.592 7.746 1.00 9.96 H new ATOM 2898 N VAL B 70 2.675 10.678 4.400 1.00 4.29 N ATOM 2899 CA VAL B 70 4.048 10.217 4.445 1.00 6.26 C ATOM 2900 C VAL B 70 4.962 11.344 3.995 1.00 9.22 C ATOM 2901 O VAL B 70 4.753 11.940 2.939 1.00 9.36 O ATOM 2902 CB VAL B 70 4.268 8.966 3.560 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.751 8.680 3.374 1.00 9.76 C ATOM 2904 CG2 VAL B 70 3.574 7.757 4.170 1.00 8.54 C ATOM 0 H VAL B 70 2.311 10.826 3.459 1.00 4.29 H new ATOM 0 HA VAL B 70 4.280 9.930 5.470 1.00 6.26 H new ATOM 0 HB VAL B 70 3.834 9.167 2.580 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.875 7.796 2.748 1.00 9.76 H new ATOM 0 HG12 VAL B 70 6.229 9.534 2.894 1.00 9.76 H new ATOM 0 HG13 VAL B 70 6.212 8.505 4.346 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.738 6.885 3.536 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.982 7.566 5.163 1.00 8.54 H new ATOM 0 HG23 VAL B 70 2.505 7.953 4.249 1.00 8.54 H new ATOM 2914 N LEU B 71 5.951 11.654 4.813 1.00 12.71 N ATOM 2915 CA LEU B 71 6.886 12.718 4.496 1.00 16.06 C ATOM 2916 C LEU B 71 7.958 12.188 3.554 1.00 18.09 C ATOM 2917 O LEU B 71 8.481 11.091 3.757 1.00 19.26 O ATOM 2918 CB LEU B 71 7.511 13.281 5.778 1.00 17.10 C ATOM 2919 CG LEU B 71 6.545 13.440 6.963 1.00 19.37 C ATOM 2920 CD1 LEU B 71 7.233 14.146 8.120 1.00 17.51 C ATOM 2921 CD2 LEU B 71 5.291 14.200 6.548 1.00 19.57 C ATOM 0 H LEU B 71 6.128 11.185 5.701 1.00 12.71 H new ATOM 0 HA LEU B 71 6.354 13.530 4.000 1.00 16.06 H new ATOM 0 HB2 LEU B 71 8.329 12.627 6.082 1.00 17.10 H new ATOM 0 HB3 LEU B 71 7.948 14.254 5.553 1.00 17.10 H new ATOM 0 HG LEU B 71 6.246 12.444 7.290 1.00 19.37 H new ATOM 0 HD11 LEU B 71 6.534 14.250 8.950 1.00 17.51 H new ATOM 0 HD12 LEU B 71 8.095 13.562 8.442 1.00 17.51 H new ATOM 0 HD13 LEU B 71 7.564 15.134 7.799 1.00 17.51 H new ATOM 0 HD21 LEU B 71 4.625 14.298 7.405 1.00 19.57 H new ATOM 0 HD22 LEU B 71 5.568 15.191 6.188 1.00 19.57 H new ATOM 0 HD23 LEU B 71 4.782 13.655 5.753 1.00 19.57 H new ATOM 2933 N ARG B 72 8.262 12.946 2.514 1.00 21.47 N ATOM 2934 CA ARG B 72 9.257 12.525 1.543 1.00 25.83 C ATOM 2935 C ARG B 72 10.549 13.318 1.691 1.00 27.74 C ATOM 2936 O ARG B 72 10.617 14.494 1.331 1.00 30.65 O ATOM 2937 CB ARG B 72 8.709 12.676 0.122 1.00 28.49 C ATOM 2938 CG ARG B 72 9.498 11.892 -0.912 1.00 31.79 C ATOM 2939 CD ARG B 72 8.933 12.079 -2.309 1.00 34.05 C ATOM 2940 NE ARG B 72 9.640 11.258 -3.294 1.00 35.08 N ATOM 2941 CZ ARG B 72 9.913 11.648 -4.540 1.00 34.67 C ATOM 2942 NH1 ARG B 72 9.496 12.831 -4.980 1.00 34.97 N ATOM 2943 NH2 ARG B 72 10.595 10.847 -5.348 1.00 35.02 N ATOM 0 H ARG B 72 7.836 13.852 2.321 1.00 21.47 H new ATOM 0 HA ARG B 72 9.482 11.475 1.731 1.00 25.83 H new ATOM 0 HB2 ARG B 72 7.670 12.346 0.103 1.00 28.49 H new ATOM 0 HB3 ARG B 72 8.713 13.731 -0.151 1.00 28.49 H new ATOM 0 HG2 ARG B 72 10.540 12.212 -0.895 1.00 31.79 H new ATOM 0 HG3 ARG B 72 9.486 10.833 -0.653 1.00 31.79 H new ATOM 0 HD2 ARG B 72 7.874 11.819 -2.311 1.00 34.05 H new ATOM 0 HD3 ARG B 72 9.004 13.129 -2.593 1.00 34.05 H new ATOM 0 HE ARG B 72 9.944 10.327 -3.009 1.00 35.08 H new ATOM 0 HH11 ARG B 72 8.964 13.446 -4.364 1.00 34.97 H new ATOM 0 HH12 ARG B 72 9.708 13.124 -5.934 1.00 34.97 H new ATOM 0 HH21 ARG B 72 10.909 9.935 -5.016 1.00 35.02 H new ATOM 0 HH22 ARG B 72 10.805 11.143 -6.301 1.00 35.02 H new ATOM 2957 N LEU B 73 11.570 12.670 2.240 1.00 28.93 N ATOM 2958 CA LEU B 73 12.869 13.301 2.422 1.00 30.76 C ATOM 2959 C LEU B 73 13.673 13.243 1.130 1.00 32.18 C ATOM 2960 O LEU B 73 13.853 12.173 0.545 1.00 32.31 O ATOM 2961 CB LEU B 73 13.642 12.616 3.552 1.00 30.53 C ATOM 2962 CG LEU B 73 13.178 12.976 4.963 1.00 30.16 C ATOM 2963 CD1 LEU B 73 13.595 11.898 5.948 1.00 29.57 C ATOM 2964 CD2 LEU B 73 13.750 14.321 5.381 1.00 29.11 C ATOM 0 H LEU B 73 11.521 11.705 2.567 1.00 28.93 H new ATOM 0 HA LEU B 73 12.709 14.346 2.689 1.00 30.76 H new ATOM 0 HB2 LEU B 73 13.562 11.536 3.424 1.00 30.53 H new ATOM 0 HB3 LEU B 73 14.697 12.871 3.457 1.00 30.53 H new ATOM 0 HG LEU B 73 12.090 13.045 4.963 1.00 30.16 H new ATOM 0 HD11 LEU B 73 13.257 12.169 6.948 1.00 29.57 H new ATOM 0 HD12 LEU B 73 13.147 10.948 5.659 1.00 29.57 H new ATOM 0 HD13 LEU B 73 14.681 11.803 5.945 1.00 29.57 H new ATOM 0 HD21 LEU B 73 13.411 14.564 6.388 1.00 29.11 H new ATOM 0 HD22 LEU B 73 14.839 14.274 5.367 1.00 29.11 H new ATOM 0 HD23 LEU B 73 13.411 15.092 4.688 1.00 29.11 H new ATOM 2976 N ARG B 74 14.150 14.398 0.691 1.00 33.82 N ATOM 2977 CA ARG B 74 14.930 14.490 -0.535 1.00 35.33 C ATOM 2978 C ARG B 74 16.355 14.012 -0.301 1.00 36.22 C ATOM 2979 O ARG B 74 16.802 13.040 -0.911 1.00 36.70 O ATOM 2980 CB ARG B 74 14.947 15.929 -1.056 1.00 36.91 C ATOM 2981 CG ARG B 74 13.567 16.545 -1.196 1.00 38.62 C ATOM 2982 CD ARG B 74 12.698 15.763 -2.165 1.00 39.75 C ATOM 2983 NE ARG B 74 11.447 16.460 -2.449 1.00 41.13 N ATOM 2984 CZ ARG B 74 10.760 16.327 -3.579 1.00 41.91 C ATOM 2985 NH1 ARG B 74 11.181 15.491 -4.524 1.00 41.93 N ATOM 2986 NH2 ARG B 74 9.650 17.032 -3.759 1.00 42.75 N ATOM 0 H ARG B 74 14.010 15.289 1.168 1.00 33.82 H new ATOM 0 HA ARG B 74 14.461 13.849 -1.281 1.00 35.33 H new ATOM 0 HB2 ARG B 74 15.542 16.543 -0.380 1.00 36.91 H new ATOM 0 HB3 ARG B 74 15.444 15.949 -2.026 1.00 36.91 H new ATOM 0 HG2 ARG B 74 13.083 16.579 -0.220 1.00 38.62 H new ATOM 0 HG3 ARG B 74 13.661 17.574 -1.541 1.00 38.62 H new ATOM 0 HD2 ARG B 74 13.244 15.601 -3.094 1.00 39.75 H new ATOM 0 HD3 ARG B 74 12.481 14.780 -1.747 1.00 39.75 H new ATOM 0 HE ARG B 74 11.077 17.088 -1.736 1.00 41.13 H new ATOM 0 HH11 ARG B 74 12.034 14.949 -4.383 1.00 41.93 H new ATOM 0 HH12 ARG B 74 10.651 15.392 -5.390 1.00 41.93 H new ATOM 0 HH21 ARG B 74 9.329 17.672 -3.032 1.00 42.75 H new ATOM 0 HH22 ARG B 74 9.118 16.934 -4.624 1.00 42.75 H new ATOM 3000 N GLY B 75 17.055 14.693 0.598 1.00 36.31 N ATOM 3001 CA GLY B 75 18.422 14.334 0.904 1.00 36.07 C ATOM 3002 C GLY B 75 18.512 12.990 1.585 1.00 36.16 C ATOM 3003 O GLY B 75 17.695 12.668 2.449 1.00 36.26 O ATOM 0 H GLY B 75 16.696 15.491 1.122 1.00 36.31 H new ATOM 0 HA2 GLY B 75 19.007 14.315 -0.016 1.00 36.07 H new ATOM 0 HA3 GLY B 75 18.863 15.097 1.546 1.00 36.07 H new ATOM 3007 N GLY B 76 19.489 12.197 1.190 1.00 36.05 N ATOM 3008 CA GLY B 76 19.652 10.891 1.775 1.00 36.19 C ATOM 3009 C GLY B 76 21.088 10.597 2.122 1.00 36.20 C ATOM 3010 O GLY B 76 21.451 9.409 2.193 1.00 0.00 O ATOM 3011 OXT GLY B 76 21.861 11.557 2.329 1.00 0.00 O ATOM 0 H GLY B 76 20.174 12.436 0.473 1.00 36.05 H new ATOM 0 HA2 GLY B 76 19.041 10.819 2.675 1.00 36.19 H new ATOM 0 HA3 GLY B 76 19.286 10.135 1.080 1.00 36.19 H new TER 3015 GLY B 76