USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1060 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: A 87 THR OG1 : rot -50:sc= -0.482 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 132:sc= -0.413 (180deg=-1.32!) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.808 K(o=-3.6,f=-5.1!) USER MOD Set 2.2: A 102 CYS SG : rot -105:sc= -2.82! USER MOD Set 3.1: A 99 THR OG1 : rot 122:sc= 0.239 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.218 USER MOD Set 4.1: A 49 CYS SG : rot 141:sc= -1.41 USER MOD Set 4.2: A 53 LYS NZ :NH3+ -176:sc= -0.746 (180deg=-1.18) USER MOD Set 5.1: A 42 ASN : amide:sc= -3.92! X(o=-9.7!,f=-10) USER MOD Set 5.2: A 82 ASN : amide:sc= -5.79! C(o=-9.7!,f=-10!) USER MOD Set 6.1: A 12 LYS NZ :NH3+ 166:sc= -2.62! (180deg=-2.14) USER MOD Set 6.2: A 16 SER OG : rot 180:sc= -1.74 USER MOD Set 6.3: A 19 ASN : amide:sc= -3.32! C(o=-7.7!,f=-11!) USER MOD Single : A 6 SER OG : rot -87:sc= 0.103 USER MOD Single : A 7 GLN : amide:sc= -3.36! C(o=-3.4!,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.3! C(o=-5.3!,f=-2.5!) USER MOD Single : A 23 HIS : no HD1:sc= -6.99! C(o=-7!,f=-14!) USER MOD Single : A 25 CYS SG : rot -100:sc= -4.17! USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.263 (180deg=-0.916) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -170:sc= -0.113 USER MOD Single : A 48 SER OG : rot -37:sc= 0.775 USER MOD Single : A 52 TYR OH : rot 6:sc= -0.241 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= 0.00524 (180deg=-1.04) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.068) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= -2.21 (180deg=-4.63!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 70 ASN : amide:sc= -0.641 K(o=-0.64,f=-2.2!) USER MOD Single : A 74 SER OG : rot -106:sc= 0.269 USER MOD Single : A 76 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.68) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0.578 (180deg=0.131) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -70:sc= 0.609 USER MOD Single : A 95 MET CE :methyl -165:sc= -0.876 (180deg=-1.91) USER MOD Single : A 107 GLN : amide:sc= -2.06 K(o=-2.1,f=-1.5) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -4.04! (180deg=-4.3!) USER MOD Single : A 112 ASN : amide:sc= -1.11 K(o=-1.1,f=-2!) USER MOD Single : A 114 MET CE :methyl 148:sc= -2.14 (180deg=-6.82!) USER MOD Single : A 116 LYS NZ :NH3+ -163:sc= -0.183 (180deg=-0.866) USER MOD Single : A 118 SER OG : rot -49:sc= 0.989 USER MOD Single : A 119 TYR OH : rot -141:sc= -3.76! USER MOD Single : A 124 LYS NZ :NH3+ -163:sc= -0.0437 (180deg=-0.445) USER MOD Single : A 125 SER OG : rot -49:sc= -0.0668 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -150:sc= -4.04! USER MOD Single : A 133 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.592 1.890 -14.133 1.00 17.32 N ATOM 2 CA VAL A 5 -9.030 1.676 -12.721 1.00 16.53 C ATOM 3 C VAL A 5 -10.544 1.806 -12.622 1.00 15.62 C ATOM 4 O VAL A 5 -11.116 2.836 -12.919 1.00 15.21 O ATOM 5 CB VAL A 5 -8.376 2.727 -11.826 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.929 2.616 -10.402 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.870 2.488 -11.809 1.00 17.86 C ATOM 0 HA VAL A 5 -8.733 0.678 -12.400 1.00 16.53 H new ATOM 0 HB VAL A 5 -8.592 3.723 -12.212 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.458 3.368 -9.769 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.007 2.777 -10.417 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -8.716 1.623 -10.005 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.391 3.232 -11.173 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -6.664 1.491 -11.419 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -6.477 2.570 -12.822 1.00 17.86 H new ATOM 17 N SER A 6 -11.188 0.764 -12.194 1.00 15.43 N ATOM 18 CA SER A 6 -12.667 0.797 -12.056 1.00 14.66 C ATOM 19 C SER A 6 -13.047 1.549 -10.781 1.00 13.40 C ATOM 20 O SER A 6 -12.307 1.569 -9.819 1.00 12.58 O ATOM 21 CB SER A 6 -13.195 -0.632 -11.963 1.00 15.49 C ATOM 22 OG SER A 6 -12.684 -1.242 -10.783 1.00 15.97 O ATOM 0 H SER A 6 -10.750 -0.119 -11.931 1.00 15.43 H new ATOM 0 HA SER A 6 -13.099 1.300 -12.921 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.285 -0.630 -11.943 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.893 -1.202 -12.842 1.00 15.49 H new ATOM 0 HG SER A 6 -11.813 -1.647 -10.975 1.00 15.97 H new ATOM 28 N GLN A 7 -14.206 2.147 -10.760 1.00 13.37 N ATOM 29 CA GLN A 7 -14.648 2.884 -9.541 1.00 12.23 C ATOM 30 C GLN A 7 -14.940 1.873 -8.436 1.00 11.36 C ATOM 31 O GLN A 7 -14.994 2.200 -7.270 1.00 10.97 O ATOM 32 CB GLN A 7 -15.910 3.695 -9.856 1.00 13.19 C ATOM 33 CG GLN A 7 -15.542 4.870 -10.767 1.00 13.36 C ATOM 34 CD GLN A 7 -14.942 4.342 -12.070 1.00 13.61 C ATOM 35 OE1 GLN A 7 -13.768 4.520 -12.327 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.699 3.691 -12.908 1.00 13.77 N ATOM 0 H GLN A 7 -14.868 2.158 -11.536 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.865 3.568 -9.215 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.652 3.061 -10.342 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.360 4.062 -8.934 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -16.427 5.469 -10.979 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.828 5.523 -10.265 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.685 3.541 -12.694 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -15.305 3.332 -13.778 1.00 13.77 H new ATOM 45 N GLU A 8 -15.136 0.644 -8.796 1.00 13.01 N ATOM 46 CA GLU A 8 -15.418 -0.392 -7.771 1.00 12.24 C ATOM 47 C GLU A 8 -14.164 -0.635 -6.923 1.00 11.73 C ATOM 48 O GLU A 8 -14.241 -0.835 -5.726 1.00 11.71 O ATOM 49 CB GLU A 8 -15.803 -1.691 -8.470 1.00 13.27 C ATOM 50 CG GLU A 8 -17.167 -1.526 -9.135 1.00 13.55 C ATOM 51 CD GLU A 8 -17.532 -2.820 -9.859 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.701 -3.716 -9.883 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.635 -2.897 -10.376 1.00 14.92 O ATOM 0 H GLU A 8 -15.114 0.308 -9.759 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.232 -0.055 -7.129 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.052 -1.952 -9.216 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.834 -2.509 -7.750 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.923 -1.288 -8.387 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.143 -0.695 -9.840 1.00 13.55 H new ATOM 60 N GLU A 9 -13.012 -0.649 -7.540 1.00 11.46 N ATOM 61 CA GLU A 9 -11.755 -0.914 -6.779 1.00 11.12 C ATOM 62 C GLU A 9 -11.323 0.304 -5.958 1.00 10.28 C ATOM 63 O GLU A 9 -10.868 0.167 -4.842 1.00 10.32 O ATOM 64 CB GLU A 9 -10.643 -1.298 -7.758 1.00 12.40 C ATOM 65 CG GLU A 9 -10.926 -2.692 -8.322 1.00 13.24 C ATOM 66 CD GLU A 9 -9.819 -3.086 -9.300 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.952 -2.770 -10.472 1.00 14.68 O ATOM 68 OE2 GLU A 9 -8.861 -3.700 -8.863 1.00 14.26 O ATOM 0 H GLU A 9 -12.887 -0.488 -8.539 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.944 -1.732 -6.084 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.588 -0.570 -8.567 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.677 -1.287 -7.252 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.984 -3.418 -7.511 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.892 -2.701 -8.828 1.00 13.24 H new ATOM 75 N VAL A 10 -11.440 1.490 -6.480 1.00 9.75 N ATOM 76 CA VAL A 10 -11.010 2.672 -5.678 1.00 9.10 C ATOM 77 C VAL A 10 -11.844 2.745 -4.396 1.00 7.91 C ATOM 78 O VAL A 10 -11.339 3.050 -3.341 1.00 7.70 O ATOM 79 CB VAL A 10 -11.148 3.959 -6.494 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.569 3.728 -7.883 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.617 4.350 -6.621 1.00 11.17 C ATOM 0 H VAL A 10 -11.807 1.694 -7.409 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.959 2.562 -5.412 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.611 4.762 -5.990 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.663 4.640 -8.473 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.517 3.457 -7.798 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.113 2.921 -8.374 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.700 5.267 -7.204 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.164 3.551 -7.121 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.038 4.511 -5.628 1.00 11.17 H new ATOM 91 N LYS A 11 -13.114 2.447 -4.464 1.00 7.38 N ATOM 92 CA LYS A 11 -13.927 2.485 -3.218 1.00 6.32 C ATOM 93 C LYS A 11 -13.338 1.489 -2.225 1.00 5.68 C ATOM 94 O LYS A 11 -13.319 1.721 -1.032 1.00 5.93 O ATOM 95 CB LYS A 11 -15.393 2.135 -3.500 1.00 8.26 C ATOM 96 CG LYS A 11 -16.051 3.276 -4.277 1.00 8.64 C ATOM 97 CD LYS A 11 -17.550 3.006 -4.411 1.00 9.23 C ATOM 98 CE LYS A 11 -18.210 4.150 -5.181 1.00 9.91 C ATOM 99 NZ LYS A 11 -19.648 3.831 -5.402 1.00 10.51 N ATOM 0 H LYS A 11 -13.615 2.184 -5.313 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.901 3.494 -2.807 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.453 1.209 -4.072 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.924 1.966 -2.563 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.886 4.223 -3.762 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.598 3.366 -5.264 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.715 2.062 -4.930 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.002 2.910 -3.424 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.114 5.082 -4.623 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.707 4.297 -6.137 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -20.099 4.608 -5.926 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -19.728 2.951 -5.951 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -20.122 3.711 -4.484 1.00 10.51 H new ATOM 113 N LYS A 12 -12.850 0.380 -2.707 1.00 5.08 N ATOM 114 CA LYS A 12 -12.259 -0.619 -1.784 1.00 4.72 C ATOM 115 C LYS A 12 -11.039 0.009 -1.115 1.00 4.34 C ATOM 116 O LYS A 12 -10.731 -0.273 0.026 1.00 4.65 O ATOM 117 CB LYS A 12 -11.828 -1.869 -2.551 1.00 6.91 C ATOM 118 CG LYS A 12 -13.065 -2.603 -3.068 1.00 7.86 C ATOM 119 CD LYS A 12 -12.636 -3.844 -3.864 1.00 8.86 C ATOM 120 CE LYS A 12 -11.935 -4.863 -2.944 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.460 -4.673 -3.034 1.00 10.82 N ATOM 0 H LYS A 12 -12.836 0.126 -3.695 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.000 -0.909 -1.039 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.182 -1.592 -3.384 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.248 -2.525 -1.902 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.701 -2.897 -2.233 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.655 -1.940 -3.700 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.508 -4.305 -4.328 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -11.964 -3.551 -4.670 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.268 -4.731 -1.915 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.201 -5.879 -3.237 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -9.996 -5.182 -2.255 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.117 -5.045 -3.943 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.236 -3.660 -2.968 1.00 10.82 H new ATOM 135 N TRP A 13 -10.346 0.871 -1.815 1.00 4.15 N ATOM 136 CA TRP A 13 -9.155 1.523 -1.205 1.00 3.58 C ATOM 137 C TRP A 13 -9.604 2.232 0.069 1.00 2.38 C ATOM 138 O TRP A 13 -8.895 2.292 1.040 1.00 2.83 O ATOM 139 CB TRP A 13 -8.556 2.576 -2.150 1.00 4.70 C ATOM 140 CG TRP A 13 -8.069 1.955 -3.423 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.083 0.636 -3.724 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.480 2.630 -4.573 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.533 0.460 -4.985 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.146 1.662 -5.547 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.204 3.979 -4.854 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.555 2.025 -6.762 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.612 4.346 -6.072 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.287 3.370 -7.024 1.00 6.26 C ATOM 0 H TRP A 13 -10.553 1.148 -2.775 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.402 0.762 -1.002 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.307 3.333 -2.377 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.730 3.085 -1.653 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.460 -0.150 -3.087 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.427 -0.446 -5.442 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.449 4.739 -4.127 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.308 1.269 -7.493 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.406 5.386 -6.277 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.830 3.658 -7.959 1.00 6.26 H new ATOM 159 N ALA A 14 -10.781 2.779 0.076 1.00 0.01 N ATOM 160 CA ALA A 14 -11.256 3.481 1.297 1.00 0.01 C ATOM 161 C ALA A 14 -11.799 2.453 2.300 1.00 0.01 C ATOM 162 O ALA A 14 -12.139 2.784 3.418 1.00 0.01 O ATOM 163 CB ALA A 14 -12.355 4.479 0.911 1.00 0.00 C ATOM 0 H ALA A 14 -11.435 2.772 -0.707 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.430 4.022 1.759 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.707 4.996 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.955 5.206 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.186 3.945 0.450 1.00 0.00 H new ATOM 169 N GLU A 15 -11.889 1.202 1.905 1.00 0.01 N ATOM 170 CA GLU A 15 -12.416 0.153 2.839 1.00 0.01 C ATOM 171 C GLU A 15 -11.269 -0.573 3.557 1.00 0.01 C ATOM 172 O GLU A 15 -11.444 -1.072 4.650 1.00 0.01 O ATOM 173 CB GLU A 15 -13.228 -0.880 2.061 1.00 0.01 C ATOM 174 CG GLU A 15 -14.526 -0.245 1.568 1.00 0.01 C ATOM 175 CD GLU A 15 -15.335 -1.283 0.790 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.833 -2.379 0.604 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.448 -0.967 0.400 1.00 0.01 O ATOM 0 H GLU A 15 -11.622 0.864 0.981 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.045 0.652 3.576 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.649 -1.251 1.215 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.449 -1.737 2.697 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.106 0.126 2.413 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.306 0.612 0.932 1.00 0.01 H new ATOM 184 N SER A 16 -10.104 -0.656 2.964 1.00 0.01 N ATOM 185 CA SER A 16 -8.987 -1.375 3.654 1.00 0.01 C ATOM 186 C SER A 16 -7.653 -1.159 2.932 1.00 0.00 C ATOM 187 O SER A 16 -7.574 -1.164 1.719 1.00 0.00 O ATOM 188 CB SER A 16 -9.286 -2.877 3.686 1.00 0.01 C ATOM 189 OG SER A 16 -9.147 -3.409 2.374 1.00 0.01 O ATOM 0 H SER A 16 -9.879 -0.265 2.049 1.00 0.01 H new ATOM 0 HA SER A 16 -8.909 -0.976 4.665 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.604 -3.381 4.370 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.296 -3.051 4.057 1.00 0.01 H new ATOM 0 HG SER A 16 -9.336 -4.370 2.389 1.00 0.01 H new ATOM 195 N LEU A 17 -6.601 -0.992 3.691 1.00 0.00 N ATOM 196 CA LEU A 17 -5.242 -0.788 3.107 1.00 0.00 C ATOM 197 C LEU A 17 -4.852 -1.991 2.250 1.00 0.01 C ATOM 198 O LEU A 17 -4.267 -1.850 1.196 1.00 0.00 O ATOM 199 CB LEU A 17 -4.243 -0.608 4.253 1.00 0.01 C ATOM 200 CG LEU A 17 -2.803 -0.549 3.722 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.676 0.522 2.627 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.846 -0.206 4.882 1.00 0.00 C ATOM 0 H LEU A 17 -6.628 -0.988 4.711 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.239 0.098 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.471 0.307 4.799 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.341 -1.433 4.959 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.545 -1.519 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.649 0.550 2.263 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.347 0.281 1.803 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.941 1.496 3.038 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.823 -0.163 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.119 0.761 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.919 -0.973 5.653 1.00 0.00 H new ATOM 214 N GLU A 18 -5.170 -3.172 2.696 1.00 0.01 N ATOM 215 CA GLU A 18 -4.816 -4.389 1.915 1.00 0.00 C ATOM 216 C GLU A 18 -5.411 -4.297 0.506 1.00 0.00 C ATOM 217 O GLU A 18 -4.783 -4.670 -0.463 1.00 0.01 O ATOM 218 CB GLU A 18 -5.383 -5.613 2.634 1.00 0.01 C ATOM 219 CG GLU A 18 -4.603 -5.834 3.929 1.00 0.01 C ATOM 220 CD GLU A 18 -5.160 -7.055 4.659 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.171 -6.908 5.329 1.00 0.01 O ATOM 222 OE2 GLU A 18 -4.565 -8.114 4.540 1.00 0.01 O ATOM 0 H GLU A 18 -5.662 -3.348 3.572 1.00 0.01 H new ATOM 0 HA GLU A 18 -3.732 -4.472 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.441 -5.465 2.852 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.309 -6.493 1.995 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -3.546 -5.980 3.708 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -4.677 -4.952 4.565 1.00 0.01 H new ATOM 229 N ASN A 19 -6.612 -3.800 0.380 1.00 0.01 N ATOM 230 CA ASN A 19 -7.226 -3.685 -0.976 1.00 0.00 C ATOM 231 C ASN A 19 -6.353 -2.783 -1.860 1.00 0.00 C ATOM 232 O ASN A 19 -6.058 -3.106 -2.997 1.00 0.01 O ATOM 233 CB ASN A 19 -8.626 -3.073 -0.849 1.00 0.01 C ATOM 234 CG ASN A 19 -9.607 -4.128 -0.325 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.386 -5.312 -0.488 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.689 -3.745 0.300 1.00 0.01 N ATOM 0 H ASN A 19 -7.192 -3.470 1.151 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.299 -4.674 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.600 -2.219 -0.172 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -8.960 -2.702 -1.818 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.348 -4.440 0.651 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -10.874 -2.751 0.437 1.00 0.01 H new ATOM 243 N LEU A 20 -5.932 -1.659 -1.349 1.00 0.00 N ATOM 244 CA LEU A 20 -5.079 -0.740 -2.156 1.00 0.01 C ATOM 245 C LEU A 20 -3.777 -1.458 -2.528 1.00 0.01 C ATOM 246 O LEU A 20 -3.285 -1.350 -3.633 1.00 0.00 O ATOM 247 CB LEU A 20 -4.775 0.516 -1.318 1.00 0.00 C ATOM 248 CG LEU A 20 -3.894 1.512 -2.087 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.697 2.175 -3.205 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.428 2.596 -1.117 1.00 0.01 C ATOM 0 H LEU A 20 -6.142 -1.336 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.595 -0.448 -3.071 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.710 1.000 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.275 0.225 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.045 0.982 -2.519 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.061 2.878 -3.742 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.058 1.412 -3.895 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.546 2.708 -2.777 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.800 3.313 -1.647 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.295 3.110 -0.702 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.856 2.140 -0.309 1.00 0.01 H new ATOM 262 N ILE A 21 -3.215 -2.183 -1.608 1.00 0.01 N ATOM 263 CA ILE A 21 -1.943 -2.906 -1.887 1.00 0.00 C ATOM 264 C ILE A 21 -2.223 -4.181 -2.684 1.00 0.00 C ATOM 265 O ILE A 21 -1.367 -4.690 -3.379 1.00 0.00 O ATOM 266 CB ILE A 21 -1.278 -3.257 -0.557 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.921 -1.965 0.172 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.002 -4.056 -0.808 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.521 -2.274 1.613 1.00 0.01 C ATOM 0 H ILE A 21 -3.584 -2.309 -0.665 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.282 -2.271 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.963 -3.854 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.102 -1.462 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.772 -1.283 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.466 -4.302 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.247 -4.975 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.687 -3.462 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.268 -1.347 2.127 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.353 -2.758 2.126 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.343 -2.939 1.616 1.00 0.01 H new ATOM 281 N ASN A 22 -3.411 -4.715 -2.581 1.00 0.00 N ATOM 282 CA ASN A 22 -3.733 -5.971 -3.323 1.00 0.01 C ATOM 283 C ASN A 22 -4.213 -5.642 -4.741 1.00 0.01 C ATOM 284 O ASN A 22 -4.413 -6.521 -5.553 1.00 0.01 O ATOM 285 CB ASN A 22 -4.839 -6.728 -2.586 1.00 0.01 C ATOM 286 CG ASN A 22 -4.338 -7.162 -1.205 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.036 -7.843 -0.482 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.155 -6.786 -0.804 1.00 0.01 N ATOM 0 H ASN A 22 -4.172 -4.337 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.834 -6.585 -3.381 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.719 -6.094 -2.481 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.142 -7.601 -3.164 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.816 -7.064 0.117 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.569 -6.214 -1.412 1.00 0.01 H new ATOM 295 N HIS A 23 -4.401 -4.385 -5.053 1.00 0.01 N ATOM 296 CA HIS A 23 -4.865 -4.019 -6.426 1.00 0.01 C ATOM 297 C HIS A 23 -3.649 -3.735 -7.311 1.00 0.01 C ATOM 298 O HIS A 23 -2.697 -3.108 -6.895 1.00 0.01 O ATOM 299 CB HIS A 23 -5.757 -2.773 -6.349 1.00 0.00 C ATOM 300 CG HIS A 23 -6.309 -2.463 -7.715 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.037 -3.256 -8.817 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.110 -1.447 -8.177 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.657 -2.708 -9.877 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.326 -1.604 -9.543 1.00 0.01 N ATOM 0 H HIS A 23 -4.254 -3.599 -4.420 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.438 -4.842 -6.853 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.572 -2.940 -5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.183 -1.925 -5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.511 -0.648 -7.572 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.618 -3.113 -10.877 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -7.877 -1.004 -10.156 1.00 0.01 H new ATOM 312 N GLU A 24 -3.667 -4.209 -8.526 1.00 0.01 N ATOM 313 CA GLU A 24 -2.512 -3.984 -9.441 1.00 0.01 C ATOM 314 C GLU A 24 -2.295 -2.483 -9.643 1.00 0.01 C ATOM 315 O GLU A 24 -1.175 -2.014 -9.695 1.00 0.01 O ATOM 316 CB GLU A 24 -2.781 -4.654 -10.789 1.00 0.01 C ATOM 317 CG GLU A 24 -1.539 -4.546 -11.682 1.00 0.01 C ATOM 318 CD GLU A 24 -0.389 -5.344 -11.063 1.00 0.01 C ATOM 319 OE1 GLU A 24 -0.663 -6.180 -10.217 1.00 0.00 O ATOM 320 OE2 GLU A 24 0.746 -5.103 -11.442 1.00 0.01 O ATOM 0 H GLU A 24 -4.436 -4.746 -8.927 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.616 -4.418 -8.998 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.042 -5.702 -10.639 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.633 -4.180 -11.277 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.762 -4.925 -12.679 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.250 -3.501 -11.795 1.00 0.01 H new ATOM 327 N CYS A 25 -3.349 -1.719 -9.764 1.00 0.01 N ATOM 328 CA CYS A 25 -3.165 -0.255 -9.967 1.00 0.01 C ATOM 329 C CYS A 25 -2.925 0.402 -8.613 1.00 0.01 C ATOM 330 O CYS A 25 -2.180 1.359 -8.504 1.00 0.00 O ATOM 331 CB CYS A 25 -4.414 0.357 -10.601 1.00 0.01 C ATOM 332 SG CYS A 25 -4.024 2.040 -11.147 1.00 0.00 S ATOM 0 H CYS A 25 -4.316 -2.041 -9.731 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.315 -0.091 -10.629 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.744 -0.247 -11.446 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.233 0.373 -9.882 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.469 2.894 -10.273 1.00 0.00 H new ATOM 338 N GLY A 26 -3.522 -0.114 -7.574 1.00 0.01 N ATOM 339 CA GLY A 26 -3.286 0.481 -6.235 1.00 0.01 C ATOM 340 C GLY A 26 -1.792 0.384 -5.946 1.00 0.01 C ATOM 341 O GLY A 26 -1.177 1.320 -5.489 1.00 0.01 O ATOM 0 H GLY A 26 -4.156 -0.913 -7.596 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.614 1.520 -6.214 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -3.859 -0.049 -5.474 1.00 0.01 H new ATOM 345 N LEU A 27 -1.196 -0.738 -6.244 1.00 0.01 N ATOM 346 CA LEU A 27 0.269 -0.881 -6.024 1.00 0.00 C ATOM 347 C LEU A 27 0.987 0.173 -6.864 1.00 0.00 C ATOM 348 O LEU A 27 1.829 0.904 -6.380 1.00 0.00 O ATOM 349 CB LEU A 27 0.719 -2.279 -6.466 1.00 0.00 C ATOM 350 CG LEU A 27 0.259 -3.330 -5.440 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.252 -4.716 -6.088 1.00 0.00 C ATOM 352 CD2 LEU A 27 1.215 -3.350 -4.234 1.00 0.01 C ATOM 0 H LEU A 27 -1.660 -1.560 -6.630 1.00 0.01 H new ATOM 0 HA LEU A 27 0.505 -0.747 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.304 -2.510 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.804 -2.306 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.745 -3.071 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.074 -5.457 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.432 -4.717 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.257 -4.962 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.879 -4.097 -3.515 1.00 0.01 H new ATOM 0 HD22 LEU A 27 2.221 -3.598 -4.571 1.00 0.01 H new ATOM 0 HD23 LEU A 27 1.223 -2.369 -3.760 1.00 0.01 H new ATOM 364 N ALA A 28 0.644 0.261 -8.124 1.00 0.00 N ATOM 365 CA ALA A 28 1.282 1.275 -9.012 1.00 0.00 C ATOM 366 C ALA A 28 0.998 2.670 -8.461 1.00 0.01 C ATOM 367 O ALA A 28 1.889 3.482 -8.296 1.00 0.00 O ATOM 368 CB ALA A 28 0.692 1.168 -10.418 1.00 0.00 C ATOM 0 H ALA A 28 -0.054 -0.329 -8.576 1.00 0.00 H new ATOM 0 HA ALA A 28 2.357 1.099 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.159 1.910 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.878 0.170 -10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.382 1.348 -10.376 1.00 0.00 H new ATOM 374 N ALA A 29 -0.244 2.949 -8.171 1.00 0.00 N ATOM 375 CA ALA A 29 -0.602 4.285 -7.627 1.00 0.01 C ATOM 376 C ALA A 29 0.033 4.429 -6.251 1.00 0.00 C ATOM 377 O ALA A 29 0.658 5.422 -5.942 1.00 0.00 O ATOM 378 CB ALA A 29 -2.124 4.398 -7.506 1.00 0.01 C ATOM 0 H ALA A 29 -1.027 2.306 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.241 5.071 -8.290 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.386 5.378 -7.107 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.577 4.274 -8.489 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.494 3.623 -6.835 1.00 0.01 H new ATOM 384 N PHE A 30 -0.110 3.434 -5.422 1.00 0.00 N ATOM 385 CA PHE A 30 0.499 3.501 -4.070 1.00 0.00 C ATOM 386 C PHE A 30 2.013 3.650 -4.221 1.00 0.00 C ATOM 387 O PHE A 30 2.610 4.555 -3.682 1.00 0.00 O ATOM 388 CB PHE A 30 0.179 2.216 -3.299 1.00 0.00 C ATOM 389 CG PHE A 30 0.758 2.316 -1.913 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.233 3.247 -1.012 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.811 1.480 -1.523 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.759 3.348 0.278 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.337 1.581 -0.232 1.00 0.00 C ATOM 394 CZ PHE A 30 1.809 2.516 0.667 1.00 0.00 C ATOM 0 H PHE A 30 -0.624 2.577 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 30 0.097 4.353 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.900 2.068 -3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.594 1.352 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.581 3.889 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.216 0.759 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.354 4.069 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.150 0.938 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.216 2.593 1.664 1.00 0.00 H new ATOM 404 N LYS A 31 2.639 2.780 -4.970 1.00 0.00 N ATOM 405 CA LYS A 31 4.114 2.893 -5.162 1.00 0.00 C ATOM 406 C LYS A 31 4.441 4.236 -5.808 1.00 0.00 C ATOM 407 O LYS A 31 5.367 4.919 -5.414 1.00 0.00 O ATOM 408 CB LYS A 31 4.608 1.751 -6.052 1.00 0.00 C ATOM 409 CG LYS A 31 4.518 0.437 -5.277 1.00 0.00 C ATOM 410 CD LYS A 31 4.703 -0.746 -6.233 1.00 0.00 C ATOM 411 CE LYS A 31 6.084 -0.687 -6.893 1.00 0.01 C ATOM 412 NZ LYS A 31 7.115 -0.351 -5.872 1.00 0.00 N ATOM 0 H LYS A 31 2.195 2.000 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 31 4.612 2.829 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.006 1.694 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.637 1.934 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.281 0.410 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.552 0.365 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.593 -1.683 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.926 -0.729 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.317 -1.645 -7.357 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.087 0.061 -7.686 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 8.049 -0.666 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.131 0.678 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.886 -0.829 -4.977 1.00 0.00 H new ATOM 426 N ALA A 32 3.682 4.630 -6.790 1.00 0.00 N ATOM 427 CA ALA A 32 3.951 5.937 -7.443 1.00 0.00 C ATOM 428 C ALA A 32 3.616 7.053 -6.458 1.00 0.01 C ATOM 429 O ALA A 32 4.359 7.999 -6.301 1.00 0.00 O ATOM 430 CB ALA A 32 3.082 6.078 -8.696 1.00 0.00 C ATOM 0 H ALA A 32 2.892 4.106 -7.166 1.00 0.00 H new ATOM 0 HA ALA A 32 5.000 5.998 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.283 7.038 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.314 5.272 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.030 6.024 -8.417 1.00 0.00 H new ATOM 436 N PHE A 33 2.502 6.949 -5.789 1.00 0.00 N ATOM 437 CA PHE A 33 2.131 8.007 -4.816 1.00 0.00 C ATOM 438 C PHE A 33 3.199 8.099 -3.727 1.00 0.00 C ATOM 439 O PHE A 33 3.580 9.176 -3.310 1.00 0.00 O ATOM 440 CB PHE A 33 0.786 7.692 -4.171 1.00 0.00 C ATOM 441 CG PHE A 33 0.375 8.882 -3.346 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.791 8.990 -2.014 1.00 0.00 C ATOM 443 CD2 PHE A 33 -0.400 9.890 -3.923 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.422 10.109 -1.259 1.00 0.00 C ATOM 445 CE2 PHE A 33 -0.764 11.008 -3.169 1.00 0.01 C ATOM 446 CZ PHE A 33 -0.354 11.117 -1.839 1.00 0.00 C ATOM 0 H PHE A 33 1.837 6.180 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 33 2.057 8.956 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.037 7.481 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.862 6.803 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.395 8.212 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.718 9.805 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.736 10.194 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.363 11.788 -3.615 1.00 0.01 H new ATOM 0 HZ PHE A 33 -0.637 11.982 -1.257 1.00 0.00 H new ATOM 456 N LEU A 34 3.682 6.978 -3.255 1.00 0.00 N ATOM 457 CA LEU A 34 4.724 7.016 -2.185 1.00 0.00 C ATOM 458 C LEU A 34 5.941 7.764 -2.704 1.00 0.00 C ATOM 459 O LEU A 34 6.625 8.435 -1.962 1.00 0.00 O ATOM 460 CB LEU A 34 5.175 5.601 -1.782 1.00 0.00 C ATOM 461 CG LEU A 34 4.131 4.884 -0.899 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.689 3.499 -0.491 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.818 5.718 0.365 1.00 0.00 C ATOM 0 H LEU A 34 3.403 6.046 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 34 4.291 7.511 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.356 5.010 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.121 5.663 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 34 3.206 4.763 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.960 2.983 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.884 2.908 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.616 3.630 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.080 5.194 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.731 5.858 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.422 6.690 0.071 1.00 0.00 H new ATOM 475 N LYS A 35 6.230 7.654 -3.970 1.00 0.00 N ATOM 476 CA LYS A 35 7.420 8.363 -4.504 1.00 0.00 C ATOM 477 C LYS A 35 7.310 9.827 -4.088 1.00 0.01 C ATOM 478 O LYS A 35 8.277 10.449 -3.697 1.00 0.00 O ATOM 479 CB LYS A 35 7.446 8.251 -6.032 1.00 0.00 C ATOM 480 CG LYS A 35 8.743 8.860 -6.589 1.00 0.00 C ATOM 481 CD LYS A 35 9.939 7.937 -6.300 1.00 0.00 C ATOM 482 CE LYS A 35 11.119 8.332 -7.189 1.00 0.00 C ATOM 483 NZ LYS A 35 12.257 7.400 -6.946 1.00 0.01 N ATOM 0 H LYS A 35 5.699 7.110 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 35 8.338 7.925 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.371 7.205 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.583 8.765 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.647 9.015 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.914 9.838 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.222 8.010 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.663 6.899 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.825 8.299 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.422 9.357 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.060 7.668 -7.550 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 12.542 7.453 -5.947 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 11.964 6.428 -7.171 1.00 0.01 H new ATOM 497 N SER A 36 6.122 10.367 -4.137 1.00 0.00 N ATOM 498 CA SER A 36 5.933 11.776 -3.705 1.00 0.00 C ATOM 499 C SER A 36 6.288 11.865 -2.220 1.00 0.00 C ATOM 500 O SER A 36 6.718 12.888 -1.731 1.00 0.00 O ATOM 501 CB SER A 36 4.475 12.199 -3.915 1.00 0.00 C ATOM 502 OG SER A 36 4.168 12.166 -5.303 1.00 0.00 O ATOM 0 H SER A 36 5.278 9.892 -4.457 1.00 0.00 H new ATOM 0 HA SER A 36 6.571 12.438 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.809 11.532 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.316 13.202 -3.520 1.00 0.00 H new ATOM 0 HG SER A 36 3.235 12.435 -5.438 1.00 0.00 H new ATOM 508 N GLU A 37 6.122 10.778 -1.500 1.00 0.00 N ATOM 509 CA GLU A 37 6.459 10.770 -0.041 1.00 0.00 C ATOM 510 C GLU A 37 7.827 10.111 0.141 1.00 0.00 C ATOM 511 O GLU A 37 8.347 10.023 1.237 1.00 0.00 O ATOM 512 CB GLU A 37 5.412 9.955 0.723 1.00 0.00 C ATOM 513 CG GLU A 37 4.074 10.695 0.724 1.00 0.00 C ATOM 514 CD GLU A 37 3.040 9.871 1.492 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.338 8.733 1.811 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.969 10.393 1.751 1.00 0.00 O ATOM 0 H GLU A 37 5.766 9.894 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 37 6.474 11.792 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.295 8.974 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.745 9.788 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.189 11.676 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.736 10.861 -0.299 1.00 0.00 H new ATOM 523 N TYR A 38 8.415 9.656 -0.932 1.00 0.00 N ATOM 524 CA TYR A 38 9.755 9.013 -0.845 1.00 0.00 C ATOM 525 C TYR A 38 9.735 7.889 0.190 1.00 0.00 C ATOM 526 O TYR A 38 10.702 7.662 0.888 1.00 0.00 O ATOM 527 CB TYR A 38 10.777 10.068 -0.440 1.00 0.00 C ATOM 528 CG TYR A 38 10.675 11.234 -1.393 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.353 11.203 -2.618 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.890 12.340 -1.055 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.245 12.281 -3.505 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.781 13.419 -1.942 1.00 0.00 C ATOM 533 CZ TYR A 38 10.459 13.389 -3.166 1.00 0.01 C ATOM 534 OH TYR A 38 10.350 14.449 -4.043 1.00 0.00 O ATOM 0 H TYR A 38 8.021 9.703 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 38 10.020 8.588 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.593 10.399 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.783 9.648 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.959 10.348 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.367 12.363 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.768 12.258 -4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.174 14.273 -1.681 1.00 0.00 H new ATOM 0 HH TYR A 38 9.767 15.135 -3.656 1.00 0.00 H new ATOM 544 N SER A 39 8.643 7.175 0.286 1.00 0.00 N ATOM 545 CA SER A 39 8.553 6.049 1.265 1.00 0.00 C ATOM 546 C SER A 39 8.777 4.736 0.513 1.00 0.00 C ATOM 547 O SER A 39 8.214 3.715 0.847 1.00 0.00 O ATOM 548 CB SER A 39 7.163 6.057 1.929 1.00 0.00 C ATOM 549 OG SER A 39 6.563 7.330 1.734 1.00 0.00 O ATOM 0 H SER A 39 7.804 7.324 -0.275 1.00 0.00 H new ATOM 0 HA SER A 39 9.309 6.158 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.536 5.276 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.254 5.843 2.994 1.00 0.00 H new ATOM 0 HG SER A 39 5.754 7.398 2.283 1.00 0.00 H new ATOM 555 N GLU A 40 9.582 4.759 -0.511 1.00 0.00 N ATOM 556 CA GLU A 40 9.822 3.516 -1.290 1.00 0.00 C ATOM 557 C GLU A 40 10.446 2.460 -0.380 1.00 0.00 C ATOM 558 O GLU A 40 10.322 1.275 -0.608 1.00 0.00 O ATOM 559 CB GLU A 40 10.754 3.807 -2.474 1.00 0.00 C ATOM 560 CG GLU A 40 12.166 4.174 -1.985 1.00 0.00 C ATOM 561 CD GLU A 40 12.101 5.378 -1.042 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.632 6.419 -1.473 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.522 5.237 0.095 1.00 0.00 O ATOM 0 H GLU A 40 10.083 5.584 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 40 8.873 3.145 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.806 2.934 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.347 4.624 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.613 3.323 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.806 4.404 -2.837 1.00 0.00 H new ATOM 570 N GLU A 41 11.104 2.877 0.661 1.00 0.00 N ATOM 571 CA GLU A 41 11.708 1.889 1.591 1.00 0.00 C ATOM 572 C GLU A 41 10.575 1.090 2.237 1.00 0.00 C ATOM 573 O GLU A 41 10.697 -0.090 2.497 1.00 0.00 O ATOM 574 CB GLU A 41 12.512 2.624 2.670 1.00 0.00 C ATOM 575 CG GLU A 41 11.574 3.504 3.505 1.00 0.00 C ATOM 576 CD GLU A 41 12.390 4.530 4.299 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.575 4.654 4.032 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.816 5.173 5.159 1.00 0.00 O ATOM 0 H GLU A 41 11.250 3.856 0.908 1.00 0.00 H new ATOM 0 HA GLU A 41 12.379 1.219 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.019 1.904 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.285 3.237 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.865 4.016 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.991 2.885 4.186 1.00 0.00 H new ATOM 585 N ASN A 42 9.470 1.739 2.501 1.00 0.00 N ATOM 586 CA ASN A 42 8.319 1.041 3.137 1.00 0.00 C ATOM 587 C ASN A 42 7.831 -0.117 2.254 1.00 0.00 C ATOM 588 O ASN A 42 7.649 -1.221 2.726 1.00 0.00 O ATOM 589 CB ASN A 42 7.169 2.028 3.345 1.00 0.00 C ATOM 590 CG ASN A 42 7.552 3.047 4.420 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.815 3.975 4.685 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.686 2.917 5.051 1.00 0.00 N ATOM 0 H ASN A 42 9.317 2.728 2.301 1.00 0.00 H new ATOM 0 HA ASN A 42 8.647 0.642 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.942 2.540 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.267 1.493 3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.952 3.594 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.306 2.138 4.830 1.00 0.00 H new ATOM 599 N ILE A 43 7.597 0.113 0.981 1.00 0.00 N ATOM 600 CA ILE A 43 7.103 -1.008 0.128 1.00 0.00 C ATOM 601 C ILE A 43 8.220 -2.030 -0.077 1.00 0.00 C ATOM 602 O ILE A 43 7.993 -3.223 -0.035 1.00 0.00 O ATOM 603 CB ILE A 43 6.584 -0.484 -1.220 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.896 -1.630 -1.980 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.738 0.068 -2.060 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.615 -2.074 -1.252 1.00 0.00 C ATOM 0 H ILE A 43 7.724 1.008 0.508 1.00 0.00 H new ATOM 0 HA ILE A 43 6.270 -1.495 0.634 1.00 0.00 H new ATOM 0 HB ILE A 43 5.871 0.319 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.652 -1.307 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.579 -2.474 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.353 0.435 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.220 0.886 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.465 -0.723 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.144 -2.886 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.867 -2.418 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.925 -1.233 -1.184 1.00 0.00 H new ATOM 618 N ASP A 44 9.430 -1.586 -0.273 1.00 0.00 N ATOM 619 CA ASP A 44 10.539 -2.561 -0.445 1.00 0.00 C ATOM 620 C ASP A 44 10.637 -3.376 0.842 1.00 0.00 C ATOM 621 O ASP A 44 10.806 -4.578 0.828 1.00 0.00 O ATOM 622 CB ASP A 44 11.851 -1.816 -0.693 1.00 0.00 C ATOM 623 CG ASP A 44 11.823 -1.181 -2.084 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.038 -1.628 -2.903 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.589 -0.257 -2.307 1.00 0.00 O ATOM 0 H ASP A 44 9.696 -0.602 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 44 10.350 -3.213 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.994 -1.047 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.693 -2.504 -0.613 1.00 0.00 H new ATOM 630 N PHE A 45 10.494 -2.715 1.957 1.00 0.00 N ATOM 631 CA PHE A 45 10.532 -3.415 3.268 1.00 0.00 C ATOM 632 C PHE A 45 9.338 -4.361 3.347 1.00 0.00 C ATOM 633 O PHE A 45 9.430 -5.466 3.844 1.00 0.00 O ATOM 634 CB PHE A 45 10.439 -2.374 4.388 1.00 0.00 C ATOM 635 CG PHE A 45 10.322 -3.065 5.722 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.474 -3.468 6.403 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.059 -3.302 6.276 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.363 -4.111 7.642 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.947 -3.944 7.515 1.00 0.00 C ATOM 640 CZ PHE A 45 10.101 -4.349 8.198 1.00 0.00 C ATOM 0 H PHE A 45 10.351 -1.707 2.014 1.00 0.00 H new ATOM 0 HA PHE A 45 11.458 -3.980 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.322 -1.734 4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.576 -1.729 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.448 -3.284 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.170 -2.990 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.252 -4.424 8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.973 -4.127 7.943 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.017 -4.845 9.154 1.00 0.00 H new ATOM 650 N TRP A 46 8.214 -3.917 2.862 1.00 0.00 N ATOM 651 CA TRP A 46 6.990 -4.759 2.903 1.00 0.00 C ATOM 652 C TRP A 46 7.223 -6.054 2.123 1.00 0.00 C ATOM 653 O TRP A 46 6.816 -7.120 2.540 1.00 0.00 O ATOM 654 CB TRP A 46 5.836 -3.984 2.268 1.00 0.00 C ATOM 655 CG TRP A 46 4.598 -4.815 2.302 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.792 -4.949 3.375 1.00 0.00 C ATOM 657 CD2 TRP A 46 4.012 -5.624 1.243 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.744 -5.788 3.047 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.836 -6.231 1.742 1.00 0.00 C ATOM 660 CE3 TRP A 46 4.380 -5.887 -0.087 1.00 0.01 C ATOM 661 CZ2 TRP A 46 2.053 -7.071 0.949 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.595 -6.731 -0.889 1.00 0.00 C ATOM 663 CH2 TRP A 46 2.434 -7.322 -0.372 1.00 0.00 C ATOM 0 H TRP A 46 8.091 -2.999 2.435 1.00 0.00 H new ATOM 0 HA TRP A 46 6.750 -5.005 3.937 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.674 -3.049 2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 46 6.083 -3.722 1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.941 -4.477 4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.995 -6.048 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.273 -5.437 -0.495 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 1.160 -7.524 1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.888 -6.926 -1.910 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.835 -7.971 -0.994 1.00 0.00 H new ATOM 674 N ILE A 47 7.875 -5.976 0.995 1.00 0.00 N ATOM 675 CA ILE A 47 8.121 -7.211 0.200 1.00 0.00 C ATOM 676 C ILE A 47 8.976 -8.177 1.020 1.00 0.00 C ATOM 677 O ILE A 47 8.651 -9.343 1.160 1.00 0.00 O ATOM 678 CB ILE A 47 8.845 -6.847 -1.099 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.912 -6.006 -1.974 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.235 -8.124 -1.851 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.687 -5.440 -3.163 1.00 0.00 C ATOM 0 H ILE A 47 8.246 -5.116 0.592 1.00 0.00 H new ATOM 0 HA ILE A 47 7.171 -7.688 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 47 9.746 -6.279 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.081 -6.617 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.483 -5.193 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.750 -7.859 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.895 -8.726 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.338 -8.696 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.018 -4.842 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.502 -4.814 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.094 -6.259 -3.755 1.00 0.00 H new ATOM 693 N SER A 48 10.060 -7.702 1.571 1.00 0.00 N ATOM 694 CA SER A 48 10.930 -8.593 2.388 1.00 0.00 C ATOM 695 C SER A 48 10.154 -9.050 3.624 1.00 0.00 C ATOM 696 O SER A 48 10.227 -10.195 4.028 1.00 0.00 O ATOM 697 CB SER A 48 12.177 -7.820 2.828 1.00 0.00 C ATOM 698 OG SER A 48 11.792 -6.782 3.723 1.00 0.00 O ATOM 0 H SER A 48 10.380 -6.737 1.490 1.00 0.00 H new ATOM 0 HA SER A 48 11.229 -9.460 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.884 -8.492 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.684 -7.399 1.960 1.00 0.00 H new ATOM 0 HG SER A 48 10.935 -6.403 3.435 1.00 0.00 H new ATOM 704 N CYS A 49 9.401 -8.170 4.220 1.00 0.00 N ATOM 705 CA CYS A 49 8.617 -8.559 5.421 1.00 0.00 C ATOM 706 C CYS A 49 7.515 -9.548 5.018 1.00 0.00 C ATOM 707 O CYS A 49 7.154 -10.426 5.775 1.00 0.01 O ATOM 708 CB CYS A 49 8.003 -7.309 6.056 1.00 0.00 C ATOM 709 SG CYS A 49 7.693 -7.623 7.811 1.00 0.01 S ATOM 0 H CYS A 49 9.295 -7.199 3.927 1.00 0.00 H new ATOM 0 HA CYS A 49 9.272 -9.040 6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.676 -6.460 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.073 -7.050 5.551 1.00 0.00 H new ATOM 0 HG CYS A 49 7.968 -6.554 8.498 1.00 0.01 H new ATOM 715 N GLU A 50 6.980 -9.417 3.829 1.00 0.00 N ATOM 716 CA GLU A 50 5.908 -10.360 3.395 1.00 0.00 C ATOM 717 C GLU A 50 6.462 -11.786 3.414 1.00 0.01 C ATOM 718 O GLU A 50 5.838 -12.690 3.931 1.00 0.00 O ATOM 719 CB GLU A 50 5.436 -9.997 1.979 1.00 0.01 C ATOM 720 CG GLU A 50 4.407 -8.858 2.045 1.00 0.00 C ATOM 721 CD GLU A 50 3.035 -9.415 2.443 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.753 -10.551 2.102 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.291 -8.691 3.084 1.00 0.00 O ATOM 0 H GLU A 50 7.238 -8.704 3.147 1.00 0.00 H new ATOM 0 HA GLU A 50 5.059 -10.290 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.287 -9.694 1.369 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.994 -10.870 1.499 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.728 -8.108 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.340 -8.360 1.078 1.00 0.00 H new ATOM 730 N GLU A 51 7.638 -11.997 2.887 1.00 0.01 N ATOM 731 CA GLU A 51 8.204 -13.375 2.926 1.00 0.00 C ATOM 732 C GLU A 51 8.336 -13.783 4.392 1.00 0.01 C ATOM 733 O GLU A 51 8.053 -14.904 4.768 1.00 0.00 O ATOM 734 CB GLU A 51 9.590 -13.399 2.260 1.00 0.00 C ATOM 735 CG GLU A 51 9.449 -13.335 0.729 1.00 0.00 C ATOM 736 CD GLU A 51 9.240 -11.888 0.287 1.00 0.00 C ATOM 737 OE1 GLU A 51 10.113 -11.082 0.550 1.00 0.00 O ATOM 738 OE2 GLU A 51 8.215 -11.613 -0.315 1.00 0.01 O ATOM 0 H GLU A 51 8.221 -11.290 2.440 1.00 0.01 H new ATOM 0 HA GLU A 51 7.552 -14.064 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.185 -12.556 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.122 -14.306 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.341 -13.744 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.608 -13.948 0.406 1.00 0.00 H new ATOM 745 N TYR A 52 8.741 -12.863 5.221 1.00 0.00 N ATOM 746 CA TYR A 52 8.880 -13.156 6.675 1.00 0.01 C ATOM 747 C TYR A 52 7.503 -13.535 7.237 1.00 0.01 C ATOM 748 O TYR A 52 7.376 -14.405 8.077 1.00 0.01 O ATOM 749 CB TYR A 52 9.394 -11.896 7.379 1.00 0.00 C ATOM 750 CG TYR A 52 9.935 -12.245 8.747 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.060 -12.440 9.823 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.317 -12.375 8.936 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.570 -12.764 11.089 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.826 -12.696 10.200 1.00 0.00 C ATOM 755 CZ TYR A 52 10.952 -12.891 11.277 1.00 0.01 C ATOM 756 OH TYR A 52 11.451 -13.207 12.526 1.00 0.01 O ATOM 0 H TYR A 52 8.984 -11.910 4.951 1.00 0.00 H new ATOM 0 HA TYR A 52 9.577 -13.978 6.835 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.175 -11.429 6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.587 -11.169 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.994 -12.341 9.678 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.991 -12.227 8.105 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.896 -12.916 11.919 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.892 -12.793 10.345 1.00 0.00 H new ATOM 0 HH TYR A 52 10.708 -13.399 13.136 1.00 0.01 H new ATOM 766 N LYS A 53 6.479 -12.871 6.777 1.00 0.01 N ATOM 767 CA LYS A 53 5.100 -13.156 7.271 1.00 0.01 C ATOM 768 C LYS A 53 4.630 -14.525 6.770 1.00 0.01 C ATOM 769 O LYS A 53 3.707 -15.102 7.308 1.00 0.01 O ATOM 770 CB LYS A 53 4.138 -12.090 6.737 1.00 0.01 C ATOM 771 CG LYS A 53 4.419 -10.728 7.385 1.00 0.00 C ATOM 772 CD LYS A 53 3.810 -10.665 8.793 1.00 0.00 C ATOM 773 CE LYS A 53 3.820 -9.219 9.289 1.00 0.01 C ATOM 774 NZ LYS A 53 5.226 -8.775 9.509 1.00 0.00 N ATOM 0 H LYS A 53 6.538 -12.135 6.073 1.00 0.01 H new ATOM 0 HA LYS A 53 5.112 -13.148 8.361 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.240 -12.011 5.655 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.109 -12.388 6.939 1.00 0.01 H new ATOM 0 HG2 LYS A 53 5.495 -10.560 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.003 -9.932 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.790 -11.048 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.377 -11.298 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.333 -8.571 8.560 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.253 -9.138 10.217 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.228 -7.816 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.697 -9.427 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.735 -8.772 8.602 1.00 0.00 H new ATOM 788 N LYS A 54 5.233 -15.043 5.734 1.00 0.00 N ATOM 789 CA LYS A 54 4.785 -16.366 5.201 1.00 0.01 C ATOM 790 C LYS A 54 5.626 -17.486 5.813 1.00 0.01 C ATOM 791 O LYS A 54 5.178 -18.608 5.940 1.00 0.01 O ATOM 792 CB LYS A 54 4.970 -16.375 3.685 1.00 0.01 C ATOM 793 CG LYS A 54 4.024 -15.357 3.052 1.00 0.01 C ATOM 794 CD LYS A 54 4.211 -15.363 1.537 1.00 0.00 C ATOM 795 CE LYS A 54 3.264 -14.343 0.905 1.00 0.01 C ATOM 796 NZ LYS A 54 3.746 -12.961 1.197 1.00 0.01 N ATOM 0 H LYS A 54 6.011 -14.612 5.235 1.00 0.00 H new ATOM 0 HA LYS A 54 3.737 -16.524 5.455 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.003 -16.134 3.432 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.769 -17.370 3.289 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.991 -15.599 3.303 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.224 -14.362 3.450 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.244 -15.121 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.011 -16.358 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.211 -14.500 -0.172 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.256 -14.477 1.296 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.975 -12.407 1.621 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.546 -13.005 1.860 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.054 -12.507 0.314 1.00 0.01 H new ATOM 810 N ILE A 55 6.835 -17.196 6.208 1.00 0.01 N ATOM 811 CA ILE A 55 7.680 -18.257 6.823 1.00 0.01 C ATOM 812 C ILE A 55 7.180 -18.536 8.243 1.00 0.00 C ATOM 813 O ILE A 55 7.212 -17.675 9.098 1.00 0.01 O ATOM 814 CB ILE A 55 9.138 -17.793 6.864 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.669 -17.675 5.433 1.00 0.01 C ATOM 816 CG2 ILE A 55 9.980 -18.815 7.634 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.030 -16.981 5.445 1.00 0.01 C ATOM 0 H ILE A 55 7.272 -16.277 6.132 1.00 0.01 H new ATOM 0 HA ILE A 55 7.616 -19.170 6.230 1.00 0.01 H new ATOM 0 HB ILE A 55 9.199 -16.825 7.361 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.759 -18.665 4.985 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.967 -17.110 4.820 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.018 -18.484 7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.600 -18.907 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.922 -19.783 7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.405 -16.899 4.425 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.927 -15.985 5.875 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.730 -17.564 6.043 1.00 0.01 H new ATOM 829 N LYS A 56 6.716 -19.734 8.501 1.00 0.01 N ATOM 830 CA LYS A 56 6.211 -20.069 9.872 1.00 0.01 C ATOM 831 C LYS A 56 7.294 -20.828 10.642 1.00 0.01 C ATOM 832 O LYS A 56 7.114 -21.192 11.788 1.00 0.01 O ATOM 833 CB LYS A 56 4.962 -20.948 9.757 1.00 0.01 C ATOM 834 CG LYS A 56 3.804 -20.126 9.183 1.00 0.01 C ATOM 835 CD LYS A 56 2.555 -21.006 9.066 1.00 0.00 C ATOM 836 CE LYS A 56 1.401 -20.182 8.492 1.00 0.00 C ATOM 837 NZ LYS A 56 0.117 -20.900 8.727 1.00 0.00 N ATOM 0 H LYS A 56 6.664 -20.495 7.823 1.00 0.01 H new ATOM 0 HA LYS A 56 5.962 -19.149 10.401 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.166 -21.805 9.115 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.691 -21.342 10.737 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.599 -19.270 9.826 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.076 -19.731 8.204 1.00 0.01 H new ATOM 0 HD2 LYS A 56 2.759 -21.862 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.282 -21.401 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.372 -19.199 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.550 -20.021 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.669 -20.342 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.148 -21.828 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.025 -21.032 9.749 1.00 0.00 H new ATOM 851 N SER A 57 8.419 -21.066 10.023 1.00 0.00 N ATOM 852 CA SER A 57 9.520 -21.799 10.713 1.00 0.01 C ATOM 853 C SER A 57 10.470 -20.775 11.373 1.00 0.01 C ATOM 854 O SER A 57 11.118 -20.023 10.672 1.00 0.00 O ATOM 855 CB SER A 57 10.306 -22.604 9.676 1.00 0.01 C ATOM 856 OG SER A 57 9.510 -23.691 9.224 1.00 0.01 O ATOM 0 H SER A 57 8.624 -20.783 9.065 1.00 0.00 H new ATOM 0 HA SER A 57 9.106 -22.465 11.470 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.582 -21.966 8.836 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.233 -22.974 10.113 1.00 0.01 H new ATOM 0 HG SER A 57 10.010 -24.208 8.558 1.00 0.01 H new ATOM 862 N PRO A 58 10.576 -20.718 12.694 1.00 0.00 N ATOM 863 CA PRO A 58 11.494 -19.729 13.331 1.00 0.01 C ATOM 864 C PRO A 58 12.970 -20.068 13.068 1.00 0.00 C ATOM 865 O PRO A 58 13.863 -19.350 13.472 1.00 0.00 O ATOM 866 CB PRO A 58 11.143 -19.851 14.829 1.00 0.01 C ATOM 867 CG PRO A 58 10.234 -21.082 15.018 1.00 0.01 C ATOM 868 CD PRO A 58 9.816 -21.601 13.629 1.00 0.01 C ATOM 0 HA PRO A 58 11.371 -18.719 12.940 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.051 -19.955 15.424 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.637 -18.949 15.174 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.761 -21.860 15.570 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.354 -20.816 15.603 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.078 -22.650 13.495 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.740 -21.519 13.475 1.00 0.01 H new ATOM 876 N SER A 59 13.228 -21.155 12.396 1.00 0.01 N ATOM 877 CA SER A 59 14.640 -21.540 12.108 1.00 0.01 C ATOM 878 C SER A 59 15.114 -20.852 10.826 1.00 0.01 C ATOM 879 O SER A 59 16.291 -20.611 10.644 1.00 0.01 O ATOM 880 CB SER A 59 14.718 -23.054 11.922 1.00 0.01 C ATOM 881 OG SER A 59 14.145 -23.400 10.668 1.00 0.01 O ATOM 0 H SER A 59 12.522 -21.795 12.033 1.00 0.01 H new ATOM 0 HA SER A 59 15.275 -21.233 12.939 1.00 0.01 H new ATOM 0 HB2 SER A 59 15.756 -23.385 11.965 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.188 -23.560 12.729 1.00 0.01 H new ATOM 0 HG SER A 59 14.194 -24.371 10.543 1.00 0.01 H new ATOM 887 N LYS A 60 14.215 -20.548 9.926 1.00 0.00 N ATOM 888 CA LYS A 60 14.629 -19.888 8.647 1.00 0.00 C ATOM 889 C LYS A 60 14.548 -18.366 8.776 1.00 0.01 C ATOM 890 O LYS A 60 15.117 -17.640 7.987 1.00 0.01 O ATOM 891 CB LYS A 60 13.706 -20.359 7.524 1.00 0.01 C ATOM 892 CG LYS A 60 14.004 -21.826 7.222 1.00 0.01 C ATOM 893 CD LYS A 60 13.091 -22.317 6.100 1.00 0.01 C ATOM 894 CE LYS A 60 13.403 -23.785 5.804 1.00 0.01 C ATOM 895 NZ LYS A 60 14.663 -23.867 5.013 1.00 0.01 N ATOM 0 H LYS A 60 13.215 -20.727 10.019 1.00 0.00 H new ATOM 0 HA LYS A 60 15.660 -20.160 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.663 -20.239 7.818 1.00 0.01 H new ATOM 0 HB3 LYS A 60 13.858 -19.752 6.632 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.048 -21.943 6.931 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.853 -22.429 8.117 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.046 -22.206 6.390 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.239 -21.714 5.204 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.507 -24.342 6.735 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.581 -24.240 5.250 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 14.783 -24.834 4.650 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.616 -23.202 4.215 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 15.471 -23.622 5.621 1.00 0.01 H new ATOM 909 N LEU A 61 13.859 -17.871 9.761 1.00 0.01 N ATOM 910 CA LEU A 61 13.763 -16.394 9.924 1.00 0.01 C ATOM 911 C LEU A 61 15.160 -15.821 10.197 1.00 0.01 C ATOM 912 O LEU A 61 15.519 -14.769 9.708 1.00 0.01 O ATOM 913 CB LEU A 61 12.858 -16.065 11.109 1.00 0.01 C ATOM 914 CG LEU A 61 11.456 -16.648 10.890 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.568 -16.298 12.094 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.836 -16.087 9.597 1.00 0.01 C ATOM 0 H LEU A 61 13.359 -18.421 10.459 1.00 0.01 H new ATOM 0 HA LEU A 61 13.351 -15.959 9.013 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.287 -16.469 12.026 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.794 -14.984 11.236 1.00 0.01 H new ATOM 0 HG LEU A 61 11.530 -17.731 10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.570 -16.710 11.943 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.001 -16.720 13.001 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.501 -15.215 12.194 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.842 -16.511 9.457 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.761 -15.002 9.670 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.466 -16.350 8.747 1.00 0.01 H new ATOM 928 N SER A 62 15.944 -16.501 10.990 1.00 0.00 N ATOM 929 CA SER A 62 17.308 -15.990 11.314 1.00 0.01 C ATOM 930 C SER A 62 18.044 -15.571 10.024 1.00 0.01 C ATOM 931 O SER A 62 18.344 -14.406 9.848 1.00 0.01 O ATOM 932 CB SER A 62 18.088 -17.066 12.090 1.00 0.01 C ATOM 933 OG SER A 62 18.022 -16.771 13.480 1.00 0.01 O ATOM 0 H SER A 62 15.699 -17.389 11.428 1.00 0.00 H new ATOM 0 HA SER A 62 17.228 -15.105 11.945 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.667 -18.052 11.894 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.126 -17.091 11.759 1.00 0.01 H new ATOM 0 HG SER A 62 18.515 -17.453 13.983 1.00 0.01 H new ATOM 939 N PRO A 63 18.335 -16.482 9.117 1.00 0.00 N ATOM 940 CA PRO A 63 19.036 -16.105 7.859 1.00 0.00 C ATOM 941 C PRO A 63 18.522 -14.782 7.261 1.00 0.01 C ATOM 942 O PRO A 63 19.274 -13.847 7.070 1.00 0.00 O ATOM 943 CB PRO A 63 18.725 -17.303 6.943 1.00 0.01 C ATOM 944 CG PRO A 63 18.171 -18.449 7.818 1.00 0.01 C ATOM 945 CD PRO A 63 18.004 -17.928 9.262 1.00 0.01 C ATOM 0 HA PRO A 63 20.101 -15.923 8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.998 -17.021 6.182 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.625 -17.625 6.420 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.214 -18.795 7.427 1.00 0.01 H new ATOM 0 HG3 PRO A 63 18.850 -19.302 7.799 1.00 0.01 H new ATOM 0 HD2 PRO A 63 16.990 -18.078 9.634 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.676 -18.432 9.957 1.00 0.01 H new ATOM 953 N LYS A 64 17.254 -14.704 6.952 1.00 0.01 N ATOM 954 CA LYS A 64 16.713 -13.450 6.351 1.00 0.01 C ATOM 955 C LYS A 64 16.611 -12.346 7.409 1.00 0.00 C ATOM 956 O LYS A 64 16.736 -11.176 7.104 1.00 0.00 O ATOM 957 CB LYS A 64 15.324 -13.717 5.764 1.00 0.00 C ATOM 958 CG LYS A 64 14.351 -14.071 6.890 1.00 0.01 C ATOM 959 CD LYS A 64 13.026 -14.560 6.299 1.00 0.01 C ATOM 960 CE LYS A 64 12.429 -13.481 5.389 1.00 0.01 C ATOM 961 NZ LYS A 64 13.054 -13.571 4.038 1.00 0.00 N ATOM 0 H LYS A 64 16.573 -15.451 7.089 1.00 0.01 H new ATOM 0 HA LYS A 64 17.391 -13.123 5.563 1.00 0.01 H new ATOM 0 HB2 LYS A 64 14.970 -12.837 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.374 -14.533 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.783 -14.844 7.526 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.178 -13.199 7.521 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.187 -15.477 5.732 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.327 -14.799 7.100 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.350 -13.611 5.312 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.601 -12.493 5.816 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.616 -12.715 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.673 -14.406 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.310 -13.655 3.316 1.00 0.00 H new ATOM 975 N ALA A 65 16.381 -12.690 8.645 1.00 0.00 N ATOM 976 CA ALA A 65 16.271 -11.631 9.687 1.00 0.01 C ATOM 977 C ALA A 65 17.564 -10.820 9.716 1.00 0.01 C ATOM 978 O ALA A 65 17.549 -9.605 9.673 1.00 0.01 O ATOM 979 CB ALA A 65 16.043 -12.273 11.053 1.00 0.01 C ATOM 0 H ALA A 65 16.265 -13.648 8.977 1.00 0.00 H new ATOM 0 HA ALA A 65 15.431 -10.977 9.453 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.963 -11.495 11.812 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.122 -12.855 11.032 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.881 -12.928 11.292 1.00 0.01 H new ATOM 985 N LYS A 66 18.684 -11.478 9.786 1.00 0.01 N ATOM 986 CA LYS A 66 19.975 -10.743 9.811 1.00 0.00 C ATOM 987 C LYS A 66 20.114 -9.915 8.536 1.00 0.01 C ATOM 988 O LYS A 66 20.489 -8.762 8.570 1.00 0.01 O ATOM 989 CB LYS A 66 21.118 -11.753 9.902 1.00 0.01 C ATOM 990 CG LYS A 66 21.106 -12.397 11.289 1.00 0.01 C ATOM 991 CD LYS A 66 22.243 -13.410 11.397 1.00 0.01 C ATOM 992 CE LYS A 66 22.244 -14.017 12.799 1.00 0.00 C ATOM 993 NZ LYS A 66 23.282 -15.082 12.885 1.00 0.00 N ATOM 0 H LYS A 66 18.761 -12.494 9.827 1.00 0.01 H new ATOM 0 HA LYS A 66 20.007 -10.076 10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.008 -12.516 9.132 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.073 -11.258 9.725 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.215 -11.631 12.057 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.149 -12.890 11.463 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.120 -14.193 10.649 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.198 -12.925 11.197 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.441 -13.243 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.263 -14.433 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.280 -15.493 13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.075 -15.826 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.217 -14.672 12.687 1.00 0.00 H new ATOM 1007 N LYS A 67 19.811 -10.494 7.410 1.00 0.00 N ATOM 1008 CA LYS A 67 19.926 -9.742 6.131 1.00 0.00 C ATOM 1009 C LYS A 67 18.966 -8.549 6.153 1.00 0.01 C ATOM 1010 O LYS A 67 19.337 -7.436 5.837 1.00 0.01 O ATOM 1011 CB LYS A 67 19.554 -10.668 4.974 1.00 0.00 C ATOM 1012 CG LYS A 67 20.629 -11.754 4.827 1.00 0.01 C ATOM 1013 CD LYS A 67 20.170 -12.828 3.822 1.00 0.00 C ATOM 1014 CE LYS A 67 20.467 -12.374 2.388 1.00 0.00 C ATOM 1015 NZ LYS A 67 19.785 -13.289 1.430 1.00 0.01 N ATOM 0 H LYS A 67 19.488 -11.457 7.319 1.00 0.00 H new ATOM 0 HA LYS A 67 20.948 -9.384 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.582 -11.125 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.469 -10.097 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.564 -11.307 4.490 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.827 -12.213 5.796 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.681 -13.769 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.102 -13.013 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.122 -11.351 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.542 -12.377 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.985 -12.984 0.456 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.135 -14.259 1.567 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 18.759 -13.264 1.597 1.00 0.01 H new ATOM 1029 N ILE A 68 17.733 -8.774 6.521 1.00 0.01 N ATOM 1030 CA ILE A 68 16.759 -7.650 6.555 1.00 0.00 C ATOM 1031 C ILE A 68 17.119 -6.691 7.689 1.00 0.01 C ATOM 1032 O ILE A 68 17.150 -5.489 7.516 1.00 0.00 O ATOM 1033 CB ILE A 68 15.344 -8.193 6.780 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.941 -9.082 5.602 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.360 -7.027 6.893 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.636 -9.806 5.936 1.00 0.00 C ATOM 0 H ILE A 68 17.362 -9.683 6.798 1.00 0.01 H new ATOM 0 HA ILE A 68 16.795 -7.120 5.603 1.00 0.00 H new ATOM 0 HB ILE A 68 15.326 -8.777 7.700 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.815 -8.479 4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.728 -9.806 5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.354 -7.414 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.643 -6.393 7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.382 -6.442 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.347 -10.440 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.778 -10.421 6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.851 -9.073 6.124 1.00 0.00 H new ATOM 1048 N TYR A 69 17.390 -7.214 8.852 1.00 0.00 N ATOM 1049 CA TYR A 69 17.744 -6.333 9.994 1.00 0.01 C ATOM 1050 C TYR A 69 18.998 -5.532 9.649 1.00 0.00 C ATOM 1051 O TYR A 69 19.056 -4.332 9.833 1.00 0.01 O ATOM 1052 CB TYR A 69 18.003 -7.181 11.240 1.00 0.01 C ATOM 1053 CG TYR A 69 18.397 -6.275 12.383 1.00 0.01 C ATOM 1054 CD1 TYR A 69 17.416 -5.744 13.231 1.00 0.00 C ATOM 1055 CD2 TYR A 69 19.747 -5.968 12.595 1.00 0.01 C ATOM 1056 CE1 TYR A 69 17.786 -4.903 14.288 1.00 0.01 C ATOM 1057 CE2 TYR A 69 20.116 -5.124 13.650 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.135 -4.592 14.497 1.00 0.01 C ATOM 1059 OH TYR A 69 19.496 -3.758 15.539 1.00 0.01 O ATOM 0 H TYR A 69 17.381 -8.213 9.059 1.00 0.00 H new ATOM 0 HA TYR A 69 16.919 -5.649 10.192 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.110 -7.748 11.501 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.794 -7.905 11.044 1.00 0.01 H new ATOM 0 HD1 TYR A 69 16.375 -5.983 13.070 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.503 -6.382 11.945 1.00 0.01 H new ATOM 0 HE1 TYR A 69 17.030 -4.494 14.942 1.00 0.01 H new ATOM 0 HE2 TYR A 69 21.157 -4.883 13.811 1.00 0.01 H new ATOM 0 HH TYR A 69 20.469 -3.645 15.545 1.00 0.01 H new ATOM 1069 N ASN A 70 20.007 -6.190 9.160 1.00 0.01 N ATOM 1070 CA ASN A 70 21.265 -5.479 8.810 1.00 0.00 C ATOM 1071 C ASN A 70 21.009 -4.469 7.688 1.00 0.00 C ATOM 1072 O ASN A 70 21.561 -3.391 7.677 1.00 0.01 O ATOM 1073 CB ASN A 70 22.315 -6.493 8.359 1.00 0.00 C ATOM 1074 CG ASN A 70 22.769 -7.323 9.561 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.698 -6.870 10.687 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.232 -8.526 9.370 1.00 0.01 N ATOM 0 H ASN A 70 20.015 -7.195 8.986 1.00 0.01 H new ATOM 0 HA ASN A 70 21.626 -4.944 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.901 -7.144 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.167 -5.978 7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.535 -9.088 10.165 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.291 -8.906 8.425 1.00 0.01 H new ATOM 1083 N GLU A 71 20.213 -4.816 6.720 1.00 0.00 N ATOM 1084 CA GLU A 71 19.963 -3.875 5.588 1.00 0.00 C ATOM 1085 C GLU A 71 18.913 -2.806 5.953 1.00 0.00 C ATOM 1086 O GLU A 71 19.147 -1.625 5.793 1.00 0.00 O ATOM 1087 CB GLU A 71 19.469 -4.677 4.378 1.00 0.00 C ATOM 1088 CG GLU A 71 19.302 -3.744 3.174 1.00 0.00 C ATOM 1089 CD GLU A 71 18.847 -4.549 1.953 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.867 -5.766 2.028 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.490 -3.933 0.965 1.00 0.00 O ATOM 0 H GLU A 71 19.723 -5.709 6.660 1.00 0.00 H new ATOM 0 HA GLU A 71 20.896 -3.361 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.179 -5.470 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.520 -5.159 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.571 -2.968 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.245 -3.241 2.959 1.00 0.00 H new ATOM 1098 N PHE A 72 17.742 -3.208 6.380 1.00 0.00 N ATOM 1099 CA PHE A 72 16.661 -2.208 6.681 1.00 0.00 C ATOM 1100 C PHE A 72 16.717 -1.635 8.111 1.00 0.00 C ATOM 1101 O PHE A 72 16.391 -0.484 8.319 1.00 0.00 O ATOM 1102 CB PHE A 72 15.299 -2.879 6.478 1.00 0.00 C ATOM 1103 CG PHE A 72 15.064 -3.128 5.006 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.549 -4.294 4.404 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.359 -2.189 4.243 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.330 -4.523 3.041 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.137 -2.419 2.880 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.622 -3.585 2.279 1.00 0.00 C ATOM 0 H PHE A 72 17.484 -4.183 6.534 1.00 0.00 H new ATOM 0 HA PHE A 72 16.814 -1.371 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.262 -3.821 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.508 -2.246 6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.093 -5.018 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.986 -1.287 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.707 -5.423 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.591 -1.696 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.451 -3.762 1.227 1.00 0.00 H new ATOM 1118 N ILE A 73 17.055 -2.419 9.108 1.00 0.00 N ATOM 1119 CA ILE A 73 17.035 -1.882 10.516 1.00 0.00 C ATOM 1120 C ILE A 73 18.409 -1.382 10.974 1.00 0.00 C ATOM 1121 O ILE A 73 18.511 -0.722 11.990 1.00 0.01 O ATOM 1122 CB ILE A 73 16.580 -2.992 11.467 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.210 -3.537 11.012 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.484 -2.448 12.899 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.162 -2.415 10.948 1.00 0.00 C ATOM 0 H ILE A 73 17.341 -3.394 9.015 1.00 0.00 H new ATOM 0 HA ILE A 73 16.348 -1.036 10.532 1.00 0.00 H new ATOM 0 HB ILE A 73 17.309 -3.802 11.448 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.308 -4.004 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.876 -4.312 11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.160 -3.244 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.461 -2.082 13.216 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.763 -1.631 12.930 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.206 -2.828 10.625 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.048 -1.967 11.935 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.487 -1.654 10.239 1.00 0.00 H new ATOM 1137 N SER A 74 19.463 -1.666 10.268 1.00 0.01 N ATOM 1138 CA SER A 74 20.789 -1.167 10.739 1.00 0.00 C ATOM 1139 C SER A 74 20.755 0.358 10.811 1.00 0.00 C ATOM 1140 O SER A 74 20.298 1.020 9.901 1.00 0.01 O ATOM 1141 CB SER A 74 21.889 -1.598 9.772 1.00 0.00 C ATOM 1142 OG SER A 74 21.537 -1.198 8.454 1.00 0.01 O ATOM 0 H SER A 74 19.471 -2.209 9.404 1.00 0.01 H new ATOM 0 HA SER A 74 20.996 -1.585 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.839 -1.148 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.023 -2.679 9.813 1.00 0.00 H new ATOM 0 HG SER A 74 21.259 -1.983 7.937 1.00 0.01 H new ATOM 1148 N VAL A 75 21.241 0.925 11.879 1.00 0.01 N ATOM 1149 CA VAL A 75 21.238 2.409 11.989 1.00 0.01 C ATOM 1150 C VAL A 75 22.062 2.994 10.837 1.00 0.00 C ATOM 1151 O VAL A 75 21.992 4.171 10.546 1.00 0.00 O ATOM 1152 CB VAL A 75 21.832 2.830 13.341 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.765 2.688 14.436 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.036 1.934 13.673 1.00 0.00 C ATOM 0 H VAL A 75 21.638 0.428 12.676 1.00 0.01 H new ATOM 0 HA VAL A 75 20.217 2.785 11.929 1.00 0.01 H new ATOM 0 HB VAL A 75 22.158 3.869 13.288 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.187 2.987 15.396 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.914 3.326 14.199 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.436 1.650 14.491 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.458 2.232 14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.712 0.895 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.793 2.039 12.896 1.00 0.00 H new ATOM 1164 N GLN A 76 22.837 2.172 10.174 1.00 0.01 N ATOM 1165 CA GLN A 76 23.667 2.663 9.027 1.00 0.01 C ATOM 1166 C GLN A 76 22.963 2.324 7.712 1.00 0.01 C ATOM 1167 O GLN A 76 23.459 2.609 6.639 1.00 0.01 O ATOM 1168 CB GLN A 76 25.032 1.966 9.039 1.00 0.00 C ATOM 1169 CG GLN A 76 25.838 2.427 10.253 1.00 0.01 C ATOM 1170 CD GLN A 76 26.231 3.894 10.072 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.683 4.288 9.016 1.00 0.01 O ATOM 1172 NE2 GLN A 76 26.077 4.727 11.066 1.00 0.01 N ATOM 0 H GLN A 76 22.932 1.177 10.378 1.00 0.01 H new ATOM 0 HA GLN A 76 23.800 3.741 9.120 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.898 0.885 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.575 2.195 8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.249 2.306 11.162 1.00 0.01 H new ATOM 0 HG3 GLN A 76 26.730 1.811 10.367 1.00 0.01 H new ATOM 0 HE21 GLN A 76 25.697 4.397 11.954 1.00 0.01 H new ATOM 0 HE22 GLN A 76 26.336 5.707 10.955 1.00 0.01 H new ATOM 1181 N ALA A 77 21.816 1.709 7.785 1.00 0.01 N ATOM 1182 CA ALA A 77 21.086 1.342 6.539 1.00 0.00 C ATOM 1183 C ALA A 77 20.998 2.555 5.613 1.00 0.01 C ATOM 1184 O ALA A 77 20.759 3.666 6.045 1.00 0.00 O ATOM 1185 CB ALA A 77 19.675 0.871 6.890 1.00 0.00 C ATOM 0 H ALA A 77 21.352 1.444 8.654 1.00 0.01 H new ATOM 0 HA ALA A 77 21.624 0.540 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.143 0.603 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.734 0.001 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.140 1.672 7.400 1.00 0.00 H new ATOM 1191 N THR A 78 21.186 2.348 4.339 1.00 0.01 N ATOM 1192 CA THR A 78 21.111 3.480 3.376 1.00 0.01 C ATOM 1193 C THR A 78 19.660 3.939 3.258 1.00 0.01 C ATOM 1194 O THR A 78 19.376 5.037 2.824 1.00 0.00 O ATOM 1195 CB THR A 78 21.605 3.017 2.005 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.772 1.963 1.541 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.048 2.522 2.118 1.00 0.01 C ATOM 0 H THR A 78 21.389 1.439 3.923 1.00 0.01 H new ATOM 0 HA THR A 78 21.733 4.303 3.728 1.00 0.01 H new ATOM 0 HB THR A 78 21.568 3.849 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.083 1.663 0.661 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.397 2.193 1.139 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.683 3.332 2.477 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.093 1.688 2.819 1.00 0.01 H new ATOM 1205 N LYS A 79 18.737 3.092 3.633 1.00 0.00 N ATOM 1206 CA LYS A 79 17.290 3.448 3.540 1.00 0.00 C ATOM 1207 C LYS A 79 16.579 3.012 4.821 1.00 0.00 C ATOM 1208 O LYS A 79 15.842 2.046 4.839 1.00 0.00 O ATOM 1209 CB LYS A 79 16.675 2.739 2.330 1.00 0.00 C ATOM 1210 CG LYS A 79 17.181 1.294 2.255 1.00 0.00 C ATOM 1211 CD LYS A 79 16.577 0.610 1.027 1.00 0.01 C ATOM 1212 CE LYS A 79 17.181 -0.785 0.863 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.943 -1.580 2.100 1.00 0.00 N ATOM 0 H LYS A 79 18.926 2.160 4.003 1.00 0.00 H new ATOM 0 HA LYS A 79 17.178 4.526 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.588 2.749 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.935 3.272 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.269 1.280 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.905 0.752 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.495 0.538 1.135 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.769 1.207 0.135 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.735 -1.287 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.251 -0.709 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.119 -2.586 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.586 -1.255 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.958 -1.454 2.409 1.00 0.00 H new ATOM 1227 N GLU A 80 16.791 3.725 5.892 1.00 0.00 N ATOM 1228 CA GLU A 80 16.124 3.364 7.172 1.00 0.00 C ATOM 1229 C GLU A 80 14.611 3.429 6.977 1.00 0.00 C ATOM 1230 O GLU A 80 14.100 4.315 6.322 1.00 0.00 O ATOM 1231 CB GLU A 80 16.546 4.356 8.259 1.00 0.00 C ATOM 1232 CG GLU A 80 18.017 4.131 8.618 1.00 0.00 C ATOM 1233 CD GLU A 80 18.437 5.132 9.698 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.671 6.044 9.962 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.522 4.975 10.233 1.00 0.00 O ATOM 0 H GLU A 80 17.398 4.543 5.935 1.00 0.00 H new ATOM 0 HA GLU A 80 16.412 2.357 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.399 5.378 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.922 4.229 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.164 3.112 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.641 4.252 7.733 1.00 0.00 H new ATOM 1242 N VAL A 81 13.882 2.503 7.537 1.00 0.00 N ATOM 1243 CA VAL A 81 12.400 2.527 7.375 1.00 0.00 C ATOM 1244 C VAL A 81 11.797 3.436 8.444 1.00 0.00 C ATOM 1245 O VAL A 81 12.314 3.558 9.537 1.00 0.00 O ATOM 1246 CB VAL A 81 11.846 1.103 7.524 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.036 0.338 6.211 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.598 0.377 8.645 1.00 0.00 C ATOM 0 H VAL A 81 14.247 1.733 8.098 1.00 0.00 H new ATOM 0 HA VAL A 81 12.140 2.907 6.387 1.00 0.00 H new ATOM 0 HB VAL A 81 10.785 1.153 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.642 -0.673 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.504 0.852 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.098 0.290 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.205 -0.634 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.659 0.330 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.465 0.918 9.582 1.00 0.00 H new ATOM 1258 N ASN A 82 10.708 4.079 8.135 1.00 0.00 N ATOM 1259 CA ASN A 82 10.074 4.985 9.129 1.00 0.00 C ATOM 1260 C ASN A 82 9.434 4.149 10.240 1.00 0.00 C ATOM 1261 O ASN A 82 8.373 3.579 10.075 1.00 0.00 O ATOM 1262 CB ASN A 82 9.011 5.833 8.427 1.00 0.00 C ATOM 1263 CG ASN A 82 8.267 4.969 7.408 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.127 3.776 7.593 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.787 5.523 6.328 1.00 0.00 N ATOM 0 H ASN A 82 10.229 4.016 7.236 1.00 0.00 H new ATOM 0 HA ASN A 82 10.824 5.643 9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.311 6.237 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.478 6.683 7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.294 4.955 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.905 6.524 6.173 1.00 0.00 H new ATOM 1272 N LEU A 83 10.082 4.072 11.371 1.00 0.00 N ATOM 1273 CA LEU A 83 9.545 3.276 12.515 1.00 0.00 C ATOM 1274 C LEU A 83 9.930 3.967 13.822 1.00 0.00 C ATOM 1275 O LEU A 83 10.715 4.894 13.836 1.00 0.00 O ATOM 1276 CB LEU A 83 10.151 1.865 12.504 1.00 0.01 C ATOM 1277 CG LEU A 83 9.601 1.044 11.325 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.365 -0.280 11.239 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.096 0.766 11.522 1.00 0.00 C ATOM 0 H LEU A 83 10.973 4.533 11.554 1.00 0.00 H new ATOM 0 HA LEU A 83 8.461 3.204 12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.237 1.931 12.432 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.924 1.359 13.443 1.00 0.01 H new ATOM 0 HG LEU A 83 9.732 1.608 10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.981 -0.868 10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.425 -0.079 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.234 -0.837 12.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.720 0.184 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.947 0.206 12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.556 1.711 11.580 1.00 0.00 H new ATOM 1291 N ASP A 84 9.393 3.523 14.924 1.00 0.01 N ATOM 1292 CA ASP A 84 9.747 4.159 16.219 1.00 0.00 C ATOM 1293 C ASP A 84 11.195 3.806 16.559 1.00 0.00 C ATOM 1294 O ASP A 84 11.749 2.854 16.045 1.00 0.00 O ATOM 1295 CB ASP A 84 8.820 3.638 17.317 1.00 0.00 C ATOM 1296 CG ASP A 84 7.410 4.185 17.097 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.283 5.177 16.395 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.480 3.605 17.629 1.00 0.01 O ATOM 0 H ASP A 84 8.728 2.752 14.982 1.00 0.01 H new ATOM 0 HA ASP A 84 9.636 5.241 16.144 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.804 2.548 17.307 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.191 3.943 18.296 1.00 0.00 H new ATOM 1303 N SER A 85 11.811 4.566 17.417 1.00 0.00 N ATOM 1304 CA SER A 85 13.224 4.281 17.788 1.00 0.01 C ATOM 1305 C SER A 85 13.288 2.996 18.611 1.00 0.01 C ATOM 1306 O SER A 85 14.304 2.332 18.670 1.00 0.00 O ATOM 1307 CB SER A 85 13.768 5.447 18.611 1.00 0.01 C ATOM 1308 OG SER A 85 13.737 6.631 17.824 1.00 0.00 O ATOM 0 H SER A 85 11.396 5.375 17.879 1.00 0.00 H new ATOM 0 HA SER A 85 13.824 4.157 16.886 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.171 5.580 19.513 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.788 5.236 18.932 1.00 0.01 H new ATOM 0 HG SER A 85 14.084 7.382 18.349 1.00 0.00 H new ATOM 1314 N CYS A 86 12.210 2.637 19.254 1.00 0.01 N ATOM 1315 CA CYS A 86 12.212 1.392 20.077 1.00 0.01 C ATOM 1316 C CYS A 86 11.897 0.184 19.194 1.00 0.00 C ATOM 1317 O CYS A 86 12.339 -0.917 19.459 1.00 0.01 O ATOM 1318 CB CYS A 86 11.155 1.513 21.171 1.00 0.01 C ATOM 1319 SG CYS A 86 11.606 2.864 22.287 1.00 0.01 S ATOM 0 H CYS A 86 11.329 3.151 19.246 1.00 0.01 H new ATOM 0 HA CYS A 86 13.195 1.257 20.527 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.177 1.702 20.729 1.00 0.01 H new ATOM 0 HB3 CYS A 86 11.079 0.577 21.725 1.00 0.01 H new ATOM 0 HG CYS A 86 10.708 2.974 23.220 1.00 0.01 H new ATOM 1325 N THR A 87 11.140 0.374 18.146 1.00 0.00 N ATOM 1326 CA THR A 87 10.808 -0.773 17.255 1.00 0.00 C ATOM 1327 C THR A 87 12.094 -1.361 16.678 1.00 0.00 C ATOM 1328 O THR A 87 12.258 -2.563 16.597 1.00 0.01 O ATOM 1329 CB THR A 87 9.917 -0.293 16.106 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.715 0.247 16.633 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.592 -1.467 15.180 1.00 0.00 C ATOM 0 H THR A 87 10.739 1.270 17.870 1.00 0.00 H new ATOM 0 HA THR A 87 10.282 -1.533 17.832 1.00 0.00 H new ATOM 0 HB THR A 87 10.441 0.476 15.539 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.324 -0.386 17.271 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.958 -1.122 14.364 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.517 -1.876 14.773 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.070 -2.241 15.743 1.00 0.00 H new ATOM 1339 N ARG A 88 13.013 -0.526 16.277 1.00 0.01 N ATOM 1340 CA ARG A 88 14.285 -1.044 15.709 1.00 0.00 C ATOM 1341 C ARG A 88 14.995 -1.883 16.772 1.00 0.00 C ATOM 1342 O ARG A 88 15.402 -3.001 16.528 1.00 0.01 O ATOM 1343 CB ARG A 88 15.179 0.130 15.309 1.00 0.00 C ATOM 1344 CG ARG A 88 14.499 0.942 14.203 1.00 0.00 C ATOM 1345 CD ARG A 88 15.408 2.111 13.791 1.00 0.00 C ATOM 1346 NE ARG A 88 14.580 3.260 13.301 1.00 0.01 N ATOM 1347 CZ ARG A 88 13.656 3.099 12.392 1.00 0.00 C ATOM 1348 NH1 ARG A 88 13.536 1.965 11.764 1.00 0.00 N ATOM 1349 NH2 ARG A 88 12.879 4.100 12.074 1.00 0.01 N ATOM 0 H ARG A 88 12.936 0.490 16.319 1.00 0.01 H new ATOM 0 HA ARG A 88 14.077 -1.655 14.831 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.371 0.765 16.174 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.145 -0.237 14.962 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.296 0.305 13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.539 1.320 14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.015 2.426 14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.096 1.789 13.009 1.00 0.00 H new ATOM 0 HE ARG A 88 14.742 4.190 13.687 1.00 0.01 H new ATOM 0 HH11 ARG A 88 14.167 1.193 11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.811 1.848 11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.995 5.002 12.535 1.00 0.01 H new ATOM 0 HH22 ARG A 88 12.156 3.979 11.365 1.00 0.01 H new ATOM 1363 N GLU A 89 15.137 -1.345 17.954 1.00 0.01 N ATOM 1364 CA GLU A 89 15.806 -2.097 19.051 1.00 0.01 C ATOM 1365 C GLU A 89 15.030 -3.384 19.330 1.00 0.01 C ATOM 1366 O GLU A 89 15.601 -4.427 19.568 1.00 0.00 O ATOM 1367 CB GLU A 89 15.840 -1.228 20.307 1.00 0.01 C ATOM 1368 CG GLU A 89 16.818 -0.074 20.087 1.00 0.01 C ATOM 1369 CD GLU A 89 16.840 0.820 21.326 1.00 0.01 C ATOM 1370 OE1 GLU A 89 16.073 0.557 22.237 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.625 1.753 21.343 1.00 0.01 O ATOM 0 H GLU A 89 14.815 -0.411 18.207 1.00 0.01 H new ATOM 0 HA GLU A 89 16.825 -2.350 18.759 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.844 -0.841 20.525 1.00 0.01 H new ATOM 0 HB3 GLU A 89 16.146 -1.822 21.168 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.817 -0.463 19.889 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.522 0.506 19.213 1.00 0.01 H new ATOM 1378 N GLU A 90 13.726 -3.314 19.304 1.00 0.00 N ATOM 1379 CA GLU A 90 12.908 -4.532 19.568 1.00 0.01 C ATOM 1380 C GLU A 90 13.241 -5.599 18.526 1.00 0.01 C ATOM 1381 O GLU A 90 13.362 -6.769 18.839 1.00 0.01 O ATOM 1382 CB GLU A 90 11.423 -4.176 19.493 1.00 0.01 C ATOM 1383 CG GLU A 90 10.577 -5.418 19.766 1.00 0.00 C ATOM 1384 CD GLU A 90 9.118 -4.998 19.934 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.870 -3.805 19.973 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.275 -5.876 20.025 1.00 0.01 O ATOM 0 H GLU A 90 13.192 -2.466 19.111 1.00 0.00 H new ATOM 0 HA GLU A 90 13.132 -4.917 20.563 1.00 0.01 H new ATOM 0 HB2 GLU A 90 11.189 -3.399 20.221 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.186 -3.773 18.508 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.672 -6.127 18.944 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.929 -5.924 20.665 1.00 0.00 H new ATOM 1393 N THR A 91 13.405 -5.213 17.290 1.00 0.01 N ATOM 1394 CA THR A 91 13.748 -6.219 16.252 1.00 0.01 C ATOM 1395 C THR A 91 15.107 -6.817 16.605 1.00 0.01 C ATOM 1396 O THR A 91 15.326 -8.003 16.484 1.00 0.01 O ATOM 1397 CB THR A 91 13.820 -5.551 14.876 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.698 -4.695 14.708 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.803 -6.621 13.787 1.00 0.01 C ATOM 0 H THR A 91 13.317 -4.252 16.958 1.00 0.01 H new ATOM 0 HA THR A 91 12.986 -6.997 16.218 1.00 0.01 H new ATOM 0 HB THR A 91 14.740 -4.971 14.803 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.743 -4.265 13.828 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.854 -6.145 12.808 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.660 -7.283 13.914 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.883 -7.201 13.861 1.00 0.01 H new ATOM 1407 N SER A 92 16.019 -5.992 17.057 1.00 0.01 N ATOM 1408 CA SER A 92 17.369 -6.495 17.437 1.00 0.01 C ATOM 1409 C SER A 92 17.215 -7.522 18.563 1.00 0.01 C ATOM 1410 O SER A 92 17.879 -8.539 18.589 1.00 0.00 O ATOM 1411 CB SER A 92 18.233 -5.330 17.924 1.00 0.01 C ATOM 1412 OG SER A 92 17.872 -5.005 19.259 1.00 0.01 O ATOM 0 H SER A 92 15.883 -4.988 17.178 1.00 0.01 H new ATOM 0 HA SER A 92 17.847 -6.958 16.574 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.288 -5.599 17.876 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.095 -4.464 17.276 1.00 0.01 H new ATOM 0 HG SER A 92 16.981 -4.598 19.267 1.00 0.01 H new ATOM 1418 N ARG A 93 16.332 -7.259 19.490 1.00 0.01 N ATOM 1419 CA ARG A 93 16.110 -8.209 20.619 1.00 0.01 C ATOM 1420 C ARG A 93 15.512 -9.509 20.076 1.00 0.01 C ATOM 1421 O ARG A 93 15.832 -10.591 20.525 1.00 0.01 O ATOM 1422 CB ARG A 93 15.131 -7.590 21.627 1.00 0.00 C ATOM 1423 CG ARG A 93 15.718 -6.296 22.209 1.00 0.01 C ATOM 1424 CD ARG A 93 16.739 -6.612 23.312 1.00 0.01 C ATOM 1425 NE ARG A 93 17.136 -5.343 23.987 1.00 0.00 N ATOM 1426 CZ ARG A 93 17.750 -5.375 25.140 1.00 0.01 C ATOM 1427 NH1 ARG A 93 18.018 -6.520 25.705 1.00 0.00 N ATOM 1428 NH2 ARG A 93 18.094 -4.256 25.726 1.00 0.01 N ATOM 0 H ARG A 93 15.751 -6.421 19.513 1.00 0.01 H new ATOM 0 HA ARG A 93 17.061 -8.415 21.111 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.180 -7.379 21.139 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.927 -8.299 22.430 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.197 -5.720 21.417 1.00 0.01 H new ATOM 0 HG3 ARG A 93 14.917 -5.677 22.614 1.00 0.01 H new ATOM 0 HD2 ARG A 93 16.309 -7.304 24.036 1.00 0.01 H new ATOM 0 HD3 ARG A 93 17.615 -7.101 22.885 1.00 0.01 H new ATOM 0 HE ARG A 93 16.927 -4.447 23.547 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.748 -7.390 25.247 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.497 -6.545 26.605 1.00 0.00 H new ATOM 0 HH21 ARG A 93 17.883 -3.362 25.283 1.00 0.01 H new ATOM 0 HH22 ARG A 93 18.573 -4.278 26.626 1.00 0.01 H new ATOM 1442 N ASN A 94 14.629 -9.406 19.118 1.00 0.01 N ATOM 1443 CA ASN A 94 13.988 -10.629 18.548 1.00 0.01 C ATOM 1444 C ASN A 94 15.034 -11.521 17.874 1.00 0.01 C ATOM 1445 O ASN A 94 14.811 -12.697 17.669 1.00 0.01 O ATOM 1446 CB ASN A 94 12.930 -10.220 17.520 1.00 0.01 C ATOM 1447 CG ASN A 94 11.742 -9.581 18.237 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.450 -9.912 19.369 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.037 -8.675 17.619 1.00 0.01 N ATOM 0 H ASN A 94 14.323 -8.525 18.704 1.00 0.01 H new ATOM 0 HA ASN A 94 13.520 -11.188 19.359 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.356 -9.518 16.804 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.601 -11.092 16.955 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.239 -8.243 18.086 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.283 -8.398 16.669 1.00 0.01 H new ATOM 1456 N MET A 95 16.171 -10.987 17.524 1.00 0.01 N ATOM 1457 CA MET A 95 17.205 -11.834 16.861 1.00 0.01 C ATOM 1458 C MET A 95 17.581 -12.977 17.803 1.00 0.01 C ATOM 1459 O MET A 95 17.889 -14.073 17.377 1.00 0.01 O ATOM 1460 CB MET A 95 18.440 -10.993 16.551 1.00 0.01 C ATOM 1461 CG MET A 95 18.005 -9.737 15.799 1.00 0.01 C ATOM 1462 SD MET A 95 17.170 -10.196 14.258 1.00 0.01 S ATOM 1463 CE MET A 95 18.526 -9.838 13.119 1.00 0.01 C ATOM 0 H MET A 95 16.429 -10.010 17.666 1.00 0.01 H new ATOM 0 HA MET A 95 16.811 -12.237 15.928 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.953 -10.722 17.474 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.146 -11.567 15.951 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.336 -9.143 16.422 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.873 -9.115 15.581 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.144 -9.798 12.099 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.974 -8.878 13.377 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.280 -10.622 13.193 1.00 0.01 H new ATOM 1473 N LEU A 96 17.539 -12.735 19.084 1.00 0.01 N ATOM 1474 CA LEU A 96 17.865 -13.807 20.061 1.00 0.01 C ATOM 1475 C LEU A 96 16.793 -14.892 19.946 1.00 0.01 C ATOM 1476 O LEU A 96 17.047 -16.066 20.133 1.00 0.01 O ATOM 1477 CB LEU A 96 17.846 -13.223 21.477 1.00 0.01 C ATOM 1478 CG LEU A 96 18.885 -12.100 21.599 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.690 -11.379 22.938 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.309 -12.682 21.524 1.00 0.01 C ATOM 0 H LEU A 96 17.291 -11.836 19.496 1.00 0.01 H new ATOM 0 HA LEU A 96 18.852 -14.223 19.858 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.853 -12.836 21.706 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.059 -14.006 22.205 1.00 0.01 H new ATOM 0 HG LEU A 96 18.752 -11.396 20.778 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.425 -10.580 23.031 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.686 -10.956 22.981 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.820 -12.088 23.755 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.037 -11.875 21.612 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.455 -13.393 22.338 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.444 -13.191 20.569 1.00 0.01 H new ATOM 1492 N GLU A 97 15.589 -14.489 19.637 1.00 0.01 N ATOM 1493 CA GLU A 97 14.463 -15.457 19.499 1.00 0.01 C ATOM 1494 C GLU A 97 13.561 -14.988 18.351 1.00 0.01 C ATOM 1495 O GLU A 97 12.518 -14.408 18.579 1.00 0.01 O ATOM 1496 CB GLU A 97 13.657 -15.470 20.800 1.00 0.01 C ATOM 1497 CG GLU A 97 13.590 -14.049 21.367 1.00 0.01 C ATOM 1498 CD GLU A 97 12.611 -14.005 22.543 1.00 0.01 C ATOM 1499 OE1 GLU A 97 11.493 -14.464 22.375 1.00 0.01 O ATOM 1500 OE2 GLU A 97 12.994 -13.510 23.589 1.00 0.01 O ATOM 0 H GLU A 97 15.335 -13.515 19.472 1.00 0.01 H new ATOM 0 HA GLU A 97 14.843 -16.458 19.294 1.00 0.01 H new ATOM 0 HB2 GLU A 97 12.652 -15.848 20.615 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.122 -16.141 21.523 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.580 -13.731 21.694 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.272 -13.353 20.591 1.00 0.01 H new ATOM 1507 N PRO A 98 13.956 -15.225 17.122 1.00 0.01 N ATOM 1508 CA PRO A 98 13.141 -14.790 15.958 1.00 0.01 C ATOM 1509 C PRO A 98 11.762 -15.462 15.938 1.00 0.01 C ATOM 1510 O PRO A 98 11.651 -16.671 15.887 1.00 0.01 O ATOM 1511 CB PRO A 98 14.006 -15.230 14.760 1.00 0.00 C ATOM 1512 CG PRO A 98 15.369 -15.702 15.297 1.00 0.01 C ATOM 1513 CD PRO A 98 15.226 -15.936 16.808 1.00 0.01 C ATOM 0 HA PRO A 98 12.920 -13.723 15.965 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.515 -16.034 14.212 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.138 -14.403 14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.679 -16.619 14.797 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.137 -14.955 15.098 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.169 -16.997 17.051 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.069 -15.527 17.364 1.00 0.01 H new ATOM 1521 N THR A 99 10.717 -14.678 15.973 1.00 0.01 N ATOM 1522 CA THR A 99 9.330 -15.237 15.950 1.00 0.01 C ATOM 1523 C THR A 99 8.551 -14.584 14.812 1.00 0.01 C ATOM 1524 O THR A 99 9.008 -13.644 14.191 1.00 0.01 O ATOM 1525 CB THR A 99 8.636 -14.928 17.278 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.677 -13.527 17.517 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.348 -15.666 18.410 1.00 0.00 C ATOM 0 H THR A 99 10.765 -13.660 16.017 1.00 0.01 H new ATOM 0 HA THR A 99 9.370 -16.316 15.802 1.00 0.01 H new ATOM 0 HB THR A 99 7.598 -15.257 17.233 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.764 -13.185 17.616 1.00 0.01 H new ATOM 0 HG21 THR A 99 8.853 -15.446 19.356 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.313 -16.739 18.223 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.387 -15.341 18.460 1.00 0.00 H new ATOM 1535 N ILE A 100 7.376 -15.076 14.536 1.00 0.00 N ATOM 1536 CA ILE A 100 6.552 -14.494 13.441 1.00 0.01 C ATOM 1537 C ILE A 100 6.060 -13.107 13.861 1.00 0.01 C ATOM 1538 O ILE A 100 5.696 -12.288 13.040 1.00 0.01 O ATOM 1539 CB ILE A 100 5.357 -15.423 13.174 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.623 -14.984 11.898 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.390 -15.373 14.361 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.482 -15.268 10.654 1.00 0.01 C ATOM 0 H ILE A 100 6.948 -15.862 15.026 1.00 0.00 H new ATOM 0 HA ILE A 100 7.145 -14.397 12.532 1.00 0.01 H new ATOM 0 HB ILE A 100 5.723 -16.441 13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.673 -15.512 11.819 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.393 -13.920 11.952 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.544 -16.033 14.169 1.00 0.01 H new ATOM 0 HG22 ILE A 100 4.906 -15.698 15.264 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.031 -14.352 14.495 1.00 0.01 H new ATOM 0 HD11 ILE A 100 4.945 -14.950 9.761 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.421 -14.719 10.727 1.00 0.01 H new ATOM 0 HD13 ILE A 100 5.690 -16.336 10.592 1.00 0.01 H new ATOM 1554 N THR A 101 6.058 -12.836 15.139 1.00 0.00 N ATOM 1555 CA THR A 101 5.603 -11.501 15.630 1.00 0.01 C ATOM 1556 C THR A 101 6.811 -10.565 15.734 1.00 0.01 C ATOM 1557 O THR A 101 6.703 -9.439 16.174 1.00 0.01 O ATOM 1558 CB THR A 101 4.964 -11.664 17.013 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.950 -12.103 17.937 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.836 -12.695 16.939 1.00 0.01 C ATOM 0 H THR A 101 6.353 -13.485 15.868 1.00 0.00 H new ATOM 0 HA THR A 101 4.873 -11.081 14.938 1.00 0.01 H new ATOM 0 HB THR A 101 4.556 -10.708 17.341 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.545 -12.207 18.823 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.383 -12.810 17.924 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.081 -12.358 16.229 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.240 -13.653 16.612 1.00 0.01 H new ATOM 1568 N CYS A 102 7.963 -11.031 15.339 1.00 0.00 N ATOM 1569 CA CYS A 102 9.183 -10.180 15.418 1.00 0.00 C ATOM 1570 C CYS A 102 9.055 -8.953 14.498 1.00 0.01 C ATOM 1571 O CYS A 102 9.284 -7.835 14.915 1.00 0.01 O ATOM 1572 CB CYS A 102 10.400 -11.014 15.004 1.00 0.00 C ATOM 1573 SG CYS A 102 11.810 -9.928 14.672 1.00 0.01 S ATOM 0 H CYS A 102 8.112 -11.968 14.964 1.00 0.00 H new ATOM 0 HA CYS A 102 9.303 -9.826 16.442 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.653 -11.721 15.794 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.165 -11.600 14.116 1.00 0.00 H new ATOM 0 HG CYS A 102 11.997 -9.839 13.389 1.00 0.01 H new ATOM 1579 N PHE A 103 8.717 -9.149 13.245 1.00 0.00 N ATOM 1580 CA PHE A 103 8.607 -7.988 12.300 1.00 0.01 C ATOM 1581 C PHE A 103 7.154 -7.539 12.152 1.00 0.01 C ATOM 1582 O PHE A 103 6.867 -6.591 11.448 1.00 0.00 O ATOM 1583 CB PHE A 103 9.130 -8.409 10.927 1.00 0.00 C ATOM 1584 CG PHE A 103 10.621 -8.636 11.006 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.112 -9.782 11.635 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.510 -7.705 10.451 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.490 -10.003 11.714 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.891 -7.925 10.530 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.381 -9.076 11.162 1.00 0.00 C ATOM 0 H PHE A 103 8.513 -10.060 12.835 1.00 0.00 H new ATOM 0 HA PHE A 103 9.193 -7.161 12.700 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.629 -9.320 10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.907 -7.639 10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.426 -10.499 12.061 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.131 -6.819 9.963 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.867 -10.890 12.201 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.578 -7.208 10.104 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.446 -9.247 11.223 1.00 0.00 H new ATOM 1599 N ASP A 104 6.234 -8.200 12.795 1.00 0.01 N ATOM 1600 CA ASP A 104 4.815 -7.775 12.658 1.00 0.01 C ATOM 1601 C ASP A 104 4.677 -6.342 13.160 1.00 0.00 C ATOM 1602 O ASP A 104 3.988 -5.530 12.573 1.00 0.01 O ATOM 1603 CB ASP A 104 3.906 -8.704 13.468 1.00 0.01 C ATOM 1604 CG ASP A 104 3.855 -10.077 12.792 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.565 -10.263 11.818 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.102 -10.916 13.258 1.00 0.00 O ATOM 0 H ASP A 104 6.399 -9.004 13.401 1.00 0.01 H new ATOM 0 HA ASP A 104 4.518 -7.827 11.611 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.281 -8.801 14.487 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.903 -8.282 13.536 1.00 0.01 H new ATOM 1611 N GLU A 105 5.348 -6.013 14.227 1.00 0.00 N ATOM 1612 CA GLU A 105 5.267 -4.624 14.742 1.00 0.00 C ATOM 1613 C GLU A 105 5.861 -3.685 13.695 1.00 0.00 C ATOM 1614 O GLU A 105 5.414 -2.574 13.518 1.00 0.01 O ATOM 1615 CB GLU A 105 6.047 -4.504 16.050 1.00 0.00 C ATOM 1616 CG GLU A 105 5.875 -3.094 16.613 1.00 0.00 C ATOM 1617 CD GLU A 105 6.652 -2.979 17.924 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.107 -4.002 18.408 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.780 -1.873 18.420 1.00 0.00 O ATOM 0 H GLU A 105 5.946 -6.644 14.761 1.00 0.00 H new ATOM 0 HA GLU A 105 4.227 -4.360 14.935 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.689 -5.241 16.769 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.103 -4.713 15.878 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.236 -2.357 15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.819 -2.883 16.782 1.00 0.00 H new ATOM 1626 N ALA A 106 6.867 -4.127 12.994 1.00 0.00 N ATOM 1627 CA ALA A 106 7.480 -3.255 11.957 1.00 0.00 C ATOM 1628 C ALA A 106 6.493 -3.085 10.797 1.00 0.00 C ATOM 1629 O ALA A 106 6.105 -1.985 10.462 1.00 0.00 O ATOM 1630 CB ALA A 106 8.765 -3.904 11.446 1.00 0.00 C ATOM 0 H ALA A 106 7.289 -5.050 13.094 1.00 0.00 H new ATOM 0 HA ALA A 106 7.713 -2.280 12.384 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.217 -3.267 10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.462 -4.031 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.534 -4.877 11.013 1.00 0.00 H new ATOM 1636 N GLN A 107 6.078 -4.164 10.185 1.00 0.00 N ATOM 1637 CA GLN A 107 5.109 -4.049 9.056 1.00 0.00 C ATOM 1638 C GLN A 107 3.827 -3.385 9.546 1.00 0.00 C ATOM 1639 O GLN A 107 3.269 -2.530 8.889 1.00 0.00 O ATOM 1640 CB GLN A 107 4.772 -5.440 8.512 1.00 0.00 C ATOM 1641 CG GLN A 107 3.763 -5.304 7.368 1.00 0.00 C ATOM 1642 CD GLN A 107 3.525 -6.668 6.722 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.462 -7.242 6.861 1.00 0.00 O ATOM 1644 NE2 GLN A 107 4.475 -7.216 6.015 1.00 0.00 N ATOM 0 H GLN A 107 6.367 -5.114 10.417 1.00 0.00 H new ATOM 0 HA GLN A 107 5.559 -3.448 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.677 -5.934 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.359 -6.063 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.823 -4.902 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.135 -4.599 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.367 -6.734 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.326 -8.126 5.579 1.00 0.00 H new ATOM 1653 N LYS A 108 3.348 -3.771 10.698 1.00 0.00 N ATOM 1654 CA LYS A 108 2.097 -3.156 11.212 1.00 0.00 C ATOM 1655 C LYS A 108 2.322 -1.655 11.367 1.00 0.00 C ATOM 1656 O LYS A 108 1.484 -0.851 11.008 1.00 0.00 O ATOM 1657 CB LYS A 108 1.741 -3.768 12.565 1.00 0.00 C ATOM 1658 CG LYS A 108 0.453 -3.126 13.081 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.060 -3.897 14.301 1.00 0.01 C ATOM 1660 CE LYS A 108 0.976 -3.858 15.433 1.00 0.00 C ATOM 1661 NZ LYS A 108 1.940 -4.977 15.255 1.00 0.00 N ATOM 0 H LYS A 108 3.767 -4.480 11.299 1.00 0.00 H new ATOM 0 HA LYS A 108 1.278 -3.339 10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.611 -4.846 12.468 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.552 -3.608 13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.637 -2.085 13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.303 -3.125 12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.000 -3.464 14.644 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.268 -4.931 14.025 1.00 0.01 H new ATOM 0 HE2 LYS A 108 1.503 -2.904 15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.479 -3.941 16.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.514 -5.081 16.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.419 -5.859 15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.562 -4.774 14.447 1.00 0.00 H new ATOM 1675 N LYS A 109 3.458 -1.272 11.872 1.00 0.01 N ATOM 1676 CA LYS A 109 3.747 0.175 12.017 1.00 0.00 C ATOM 1677 C LYS A 109 3.764 0.807 10.625 1.00 0.00 C ATOM 1678 O LYS A 109 3.273 1.900 10.426 1.00 0.00 O ATOM 1679 CB LYS A 109 5.101 0.356 12.707 1.00 0.00 C ATOM 1680 CG LYS A 109 4.973 0.079 14.218 1.00 0.00 C ATOM 1681 CD LYS A 109 4.424 1.313 14.949 1.00 0.01 C ATOM 1682 CE LYS A 109 4.554 1.107 16.460 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.977 0.828 16.807 1.00 0.01 N ATOM 0 H LYS A 109 4.197 -1.899 12.190 1.00 0.01 H new ATOM 0 HA LYS A 109 2.983 0.659 12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.834 -0.320 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.466 1.370 12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.312 -0.772 14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.947 -0.190 14.628 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.972 2.204 14.644 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.380 1.474 14.681 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.208 1.995 16.989 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.922 0.278 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.263 1.427 17.608 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.081 -0.173 17.069 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.582 1.036 15.987 1.00 0.01 H new ATOM 1697 N ILE A 110 4.316 0.124 9.654 1.00 0.00 N ATOM 1698 CA ILE A 110 4.341 0.695 8.278 1.00 0.00 C ATOM 1699 C ILE A 110 2.906 0.793 7.762 1.00 0.00 C ATOM 1700 O ILE A 110 2.512 1.802 7.215 1.00 0.00 O ATOM 1701 CB ILE A 110 5.167 -0.211 7.354 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.658 -0.148 7.756 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.990 0.226 5.888 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.220 1.283 7.632 1.00 0.00 C ATOM 0 H ILE A 110 4.746 -0.795 9.755 1.00 0.00 H new ATOM 0 HA ILE A 110 4.796 1.685 8.295 1.00 0.00 H new ATOM 0 HB ILE A 110 4.817 -1.238 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.774 -0.497 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.235 -0.822 7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.580 -0.423 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.938 0.155 5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.326 1.256 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.270 1.288 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.128 1.622 6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.660 1.952 8.285 1.00 0.00 H new ATOM 1716 N PHE A 111 2.112 -0.229 7.953 1.00 0.00 N ATOM 1717 CA PHE A 111 0.698 -0.156 7.487 1.00 0.00 C ATOM 1718 C PHE A 111 0.034 1.022 8.203 1.00 0.00 C ATOM 1719 O PHE A 111 -0.596 1.861 7.595 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.039 -1.472 7.859 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.195 -2.369 6.643 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.912 -2.661 5.844 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.454 -2.901 6.319 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.765 -3.483 4.722 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.600 -3.723 5.198 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.494 -4.014 4.397 1.00 0.00 C ATOM 0 H PHE A 111 2.379 -1.102 8.407 1.00 0.00 H new ATOM 0 HA PHE A 111 0.655 -0.022 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.517 -1.998 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.020 -1.239 8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.881 -2.253 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.310 -2.675 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.621 -3.710 4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.568 -4.133 4.951 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.606 -4.646 3.529 1.00 0.00 H new ATOM 1736 N ASN A 112 0.182 1.083 9.495 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.434 2.187 10.271 1.00 0.00 C ATOM 1738 C ASN A 112 0.121 3.529 9.787 1.00 0.00 C ATOM 1739 O ASN A 112 -0.596 4.505 9.684 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.103 1.993 11.749 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.838 0.753 12.258 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.865 0.381 11.725 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.347 0.086 13.266 1.00 0.00 N ATOM 0 H ASN A 112 0.709 0.408 10.050 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.515 2.181 10.131 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.972 1.876 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.402 2.871 12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.825 -0.748 13.607 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.515 0.399 13.713 1.00 0.00 H new ATOM 1750 N LEU A 113 1.394 3.591 9.496 1.00 0.00 N ATOM 1751 CA LEU A 113 1.993 4.877 9.031 1.00 0.00 C ATOM 1752 C LEU A 113 1.333 5.321 7.724 1.00 0.00 C ATOM 1753 O LEU A 113 0.752 6.384 7.644 1.00 0.00 O ATOM 1754 CB LEU A 113 3.505 4.680 8.807 1.00 0.00 C ATOM 1755 CG LEU A 113 4.175 6.010 8.354 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.544 6.165 9.025 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.382 6.015 6.829 1.00 0.00 C ATOM 0 H LEU A 113 2.044 2.808 9.560 1.00 0.00 H new ATOM 0 HA LEU A 113 1.830 5.645 9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.971 4.328 9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.668 3.910 8.053 1.00 0.00 H new ATOM 0 HG LEU A 113 3.520 6.832 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.004 7.099 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.419 6.178 10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.184 5.329 8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.851 6.952 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.024 5.181 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.418 5.916 6.331 1.00 0.00 H new ATOM 1769 N MET A 114 1.415 4.521 6.694 1.00 0.00 N ATOM 1770 CA MET A 114 0.790 4.918 5.402 1.00 0.00 C ATOM 1771 C MET A 114 -0.736 4.885 5.531 1.00 0.00 C ATOM 1772 O MET A 114 -1.429 5.728 4.993 1.00 0.00 O ATOM 1773 CB MET A 114 1.262 3.972 4.286 1.00 0.00 C ATOM 1774 CG MET A 114 0.981 2.497 4.654 1.00 0.00 C ATOM 1775 SD MET A 114 2.392 1.465 4.142 1.00 0.00 S ATOM 1776 CE MET A 114 1.559 0.367 2.959 1.00 0.00 C ATOM 0 H MET A 114 1.885 3.616 6.692 1.00 0.00 H new ATOM 0 HA MET A 114 1.093 5.934 5.148 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.754 4.221 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.329 4.111 4.114 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.819 2.403 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.070 2.156 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.256 0.087 2.169 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.216 -0.530 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.705 0.884 2.522 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.269 3.929 6.240 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.749 3.862 6.399 1.00 0.00 C ATOM 1788 C GLU A 115 -3.254 5.141 7.086 1.00 0.00 C ATOM 1789 O GLU A 115 -4.299 5.664 6.764 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.131 2.641 7.238 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.655 2.570 7.392 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.019 1.339 8.220 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.140 0.523 8.444 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.165 1.239 8.627 1.00 0.01 O ATOM 0 H GLU A 115 -0.746 3.193 6.715 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.209 3.775 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.762 1.732 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.660 2.701 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.026 3.473 7.878 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.130 2.517 6.412 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.544 5.632 8.064 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.013 6.862 8.771 1.00 0.00 C ATOM 1803 C LYS A 116 -2.522 8.125 8.055 1.00 0.01 C ATOM 1804 O LYS A 116 -2.928 9.219 8.391 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.498 6.858 10.211 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.178 5.728 10.981 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.670 5.715 12.420 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.348 4.586 13.199 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.797 4.520 12.844 1.00 0.00 N ATOM 0 H LYS A 116 -1.666 5.240 8.404 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.103 6.864 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.416 6.724 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.706 7.816 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.259 5.864 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.971 4.771 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.589 5.579 12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.876 6.673 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.866 3.635 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.235 4.753 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.306 3.967 13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.189 5.482 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.907 4.065 11.915 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.633 7.991 7.093 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.090 9.204 6.386 1.00 0.00 C ATOM 1825 C ASP A 117 -1.394 9.175 4.882 1.00 0.00 C ATOM 1826 O ASP A 117 -2.158 9.976 4.383 1.00 0.00 O ATOM 1827 CB ASP A 117 0.426 9.241 6.587 1.00 0.00 C ATOM 1828 CG ASP A 117 0.977 10.573 6.079 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.380 11.132 5.176 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.986 11.014 6.605 1.00 0.00 O ATOM 0 H ASP A 117 -1.261 7.099 6.768 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.568 10.089 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.666 9.115 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.894 8.414 6.053 1.00 0.00 H new ATOM 1835 N SER A 118 -0.782 8.285 4.153 1.00 0.00 N ATOM 1836 CA SER A 118 -1.011 8.243 2.675 1.00 0.00 C ATOM 1837 C SER A 118 -2.488 7.995 2.365 1.00 0.00 C ATOM 1838 O SER A 118 -3.037 8.553 1.436 1.00 0.01 O ATOM 1839 CB SER A 118 -0.175 7.117 2.066 1.00 0.00 C ATOM 1840 OG SER A 118 -0.811 5.873 2.325 1.00 0.00 O ATOM 0 H SER A 118 -0.134 7.584 4.512 1.00 0.00 H new ATOM 0 HA SER A 118 -0.718 9.202 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.067 7.268 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.829 7.122 2.491 1.00 0.00 H new ATOM 0 HG SER A 118 -1.049 5.818 3.274 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.131 7.159 3.122 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.570 6.866 2.864 1.00 0.00 C ATOM 1848 C TYR A 119 -5.375 8.171 2.917 1.00 0.01 C ATOM 1849 O TYR A 119 -6.140 8.478 2.024 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.058 5.886 3.953 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.611 4.620 3.343 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.808 3.860 2.490 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.912 4.200 3.641 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.304 2.682 1.934 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.407 3.023 3.082 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.601 2.264 2.229 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.087 1.102 1.677 1.00 0.00 O ATOM 0 H TYR A 119 -2.724 6.661 3.914 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.704 6.421 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.232 5.640 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.826 6.366 4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.804 4.185 2.261 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.532 4.787 4.303 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.684 2.093 1.275 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.412 2.698 3.308 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.026 1.227 1.424 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.202 8.947 3.949 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.954 10.225 4.039 1.00 0.01 C ATOM 1869 C ARG A 120 -5.546 11.109 2.871 1.00 0.00 C ATOM 1870 O ARG A 120 -6.363 11.777 2.265 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.625 10.927 5.355 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.021 10.032 6.536 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.533 9.759 6.523 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.980 9.385 7.893 1.00 0.01 N ATOM 1875 CZ ARG A 120 -9.249 9.407 8.194 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -10.124 9.764 7.293 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -9.641 9.075 9.396 1.00 0.01 N ATOM 0 H ARG A 120 -4.575 8.752 4.730 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.026 10.029 4.003 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.560 11.154 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.156 11.877 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.475 9.090 6.485 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.740 10.512 7.473 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -8.070 10.644 6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.763 8.957 5.822 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.294 9.112 8.596 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.815 10.025 6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.117 9.782 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.955 8.799 10.098 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -10.633 9.092 9.632 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.288 11.113 2.546 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.826 11.945 1.409 1.00 0.01 C ATOM 1893 C ARG A 121 -4.371 11.339 0.115 1.00 0.01 C ATOM 1894 O ARG A 121 -4.712 12.042 -0.811 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.299 11.965 1.368 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.759 12.671 2.614 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.229 12.682 2.574 1.00 0.00 C ATOM 1898 NE ARG A 121 0.294 13.350 3.796 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.551 13.227 4.119 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.354 12.520 3.371 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.005 13.813 5.188 1.00 0.01 N ATOM 0 H ARG A 121 -3.560 10.576 3.018 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.185 12.968 1.524 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.913 10.947 1.319 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.956 12.479 0.470 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.139 13.692 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.106 12.161 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.151 11.662 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.118 13.206 1.683 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.331 13.904 4.381 1.00 0.01 H new ATOM 0 HH11 ARG A 121 1.998 12.062 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.337 12.425 3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.378 14.367 5.771 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.988 13.718 5.443 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.472 10.035 0.045 1.00 0.01 N ATOM 1916 CA PHE A 122 -5.016 9.406 -1.194 1.00 0.01 C ATOM 1917 C PHE A 122 -6.437 9.924 -1.415 1.00 0.01 C ATOM 1918 O PHE A 122 -6.785 10.351 -2.490 1.00 0.01 O ATOM 1919 CB PHE A 122 -5.025 7.865 -1.033 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.058 7.229 -2.002 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.463 6.968 -3.314 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.763 6.911 -1.589 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.570 6.386 -4.217 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.867 6.330 -2.491 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.272 6.066 -3.806 1.00 0.00 C ATOM 0 H PHE A 122 -4.204 9.386 0.785 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.395 9.661 -2.053 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.754 7.598 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -6.030 7.481 -1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.466 7.216 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.454 7.114 -0.574 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.882 6.183 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.864 6.085 -2.175 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.581 5.615 -4.503 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.254 9.907 -0.408 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.638 10.410 -0.586 1.00 0.00 C ATOM 1937 C LEU A 123 -8.572 11.879 -1.021 1.00 0.01 C ATOM 1938 O LEU A 123 -9.410 12.359 -1.759 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.392 10.293 0.741 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.452 8.820 1.176 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.117 8.722 2.554 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.256 7.992 0.153 1.00 0.01 C ATOM 0 H LEU A 123 -7.026 9.569 0.527 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.159 9.825 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.894 10.888 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.401 10.692 0.633 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.438 8.424 1.229 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.160 7.678 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.537 9.292 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.128 9.126 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.290 6.951 0.474 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.271 8.384 0.085 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.776 8.055 -0.824 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.578 12.593 -0.562 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.432 14.035 -0.931 1.00 0.01 C ATOM 1956 C LYS A 124 -6.412 14.189 -2.070 1.00 0.01 C ATOM 1957 O LYS A 124 -6.072 15.289 -2.456 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.925 14.786 0.297 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.950 14.669 1.422 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.435 15.415 2.650 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.439 15.268 3.793 1.00 0.01 C ATOM 1962 NZ LYS A 124 -9.733 15.899 3.411 1.00 0.01 N ATOM 0 H LYS A 124 -6.852 12.236 0.060 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.391 14.432 -1.262 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.968 14.376 0.618 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.756 15.835 0.052 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.906 15.085 1.104 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.123 13.621 1.665 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.465 15.018 2.950 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.288 16.469 2.414 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -8.592 14.213 4.022 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.048 15.737 4.696 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -10.307 16.057 4.264 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.550 16.810 2.943 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -10.246 15.272 2.759 1.00 0.01 H new ATOM 1976 N SER A 125 -5.906 13.104 -2.596 1.00 0.00 N ATOM 1977 CA SER A 125 -4.891 13.210 -3.691 1.00 0.01 C ATOM 1978 C SER A 125 -5.556 13.574 -5.020 1.00 0.01 C ATOM 1979 O SER A 125 -6.746 13.415 -5.202 1.00 0.01 O ATOM 1980 CB SER A 125 -4.152 11.884 -3.843 1.00 0.01 C ATOM 1981 OG SER A 125 -5.084 10.851 -4.126 1.00 0.01 O ATOM 0 H SER A 125 -6.149 12.153 -2.318 1.00 0.00 H new ATOM 0 HA SER A 125 -4.186 13.998 -3.425 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.417 11.955 -4.645 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.605 11.654 -2.929 1.00 0.01 H new ATOM 0 HG SER A 125 -5.826 10.895 -3.487 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.782 14.078 -5.946 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.341 14.472 -7.271 1.00 0.01 C ATOM 1989 C ARG A 126 -5.747 13.232 -8.076 1.00 0.00 C ATOM 1990 O ARG A 126 -6.765 13.223 -8.740 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.279 15.244 -8.054 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.007 16.592 -7.368 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.287 16.384 -6.020 1.00 0.01 C ATOM 1994 NE ARG A 126 -2.480 17.607 -5.680 1.00 0.00 N ATOM 1995 CZ ARG A 126 -1.501 18.021 -6.444 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -1.130 17.321 -7.478 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -0.872 19.125 -6.156 1.00 0.01 N ATOM 0 H ARG A 126 -3.780 14.234 -5.839 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.222 15.094 -7.108 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.359 14.661 -8.110 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.615 15.407 -9.078 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.398 17.220 -8.018 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.947 17.119 -7.206 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.016 16.188 -5.234 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.636 15.511 -6.076 1.00 0.01 H new ATOM 0 HE ARG A 126 -2.702 18.128 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.603 16.444 -7.697 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -0.366 17.650 -8.069 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -1.142 19.667 -5.335 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -0.109 19.448 -6.751 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.958 12.189 -8.037 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.311 10.965 -8.818 1.00 0.01 C ATOM 2013 C PHE A 127 -6.603 10.374 -8.270 1.00 0.01 C ATOM 2014 O PHE A 127 -7.484 9.977 -9.006 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.200 9.918 -8.685 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.964 10.385 -9.407 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.808 10.116 -10.772 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.972 11.080 -8.712 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.658 10.544 -11.441 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.821 11.508 -9.379 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.663 11.241 -10.745 1.00 0.00 C ATOM 0 H PHE A 127 -4.091 12.131 -7.503 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.433 11.238 -9.866 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.974 9.747 -7.632 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.535 8.966 -9.098 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.576 9.578 -11.308 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.094 11.287 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.537 10.337 -12.494 1.00 0.01 H new ATOM 0 HE2 PHE A 127 -0.053 12.045 -8.841 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.226 11.573 -11.261 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.714 10.306 -6.977 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.935 9.735 -6.355 1.00 0.01 C ATOM 2033 C TYR A 128 -9.167 10.542 -6.765 1.00 0.01 C ATOM 2034 O TYR A 128 -10.185 9.994 -7.111 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.770 9.777 -4.842 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.929 9.083 -4.178 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.890 7.699 -3.965 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.037 9.825 -3.764 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.964 7.059 -3.338 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.111 9.187 -3.135 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.075 7.802 -2.923 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.132 7.170 -2.307 1.00 0.01 O ATOM 0 H TYR A 128 -6.004 10.625 -6.318 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.072 8.707 -6.690 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.835 9.295 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.712 10.811 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.032 7.127 -4.285 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.065 10.892 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.936 5.992 -3.174 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.967 9.761 -2.813 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.821 7.829 -2.081 1.00 0.01 H new ATOM 2052 N LEU A 129 -9.094 11.837 -6.722 1.00 0.01 N ATOM 2053 CA LEU A 129 -10.286 12.644 -7.102 1.00 0.01 C ATOM 2054 C LEU A 129 -10.674 12.334 -8.546 1.00 0.01 C ATOM 2055 O LEU A 129 -11.823 12.076 -8.849 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.939 14.127 -6.973 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.785 14.500 -5.491 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -9.139 15.883 -5.390 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -11.159 14.526 -4.790 1.00 0.01 C ATOM 0 H LEU A 129 -8.271 12.371 -6.444 1.00 0.01 H new ATOM 0 HA LEU A 129 -11.122 12.401 -6.447 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -9.014 14.341 -7.509 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.721 14.734 -7.431 1.00 0.01 H new ATOM 0 HG LEU A 129 -9.159 13.754 -5.002 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -9.026 16.156 -4.341 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -8.159 15.863 -5.867 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.771 16.617 -5.890 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -11.027 14.792 -3.741 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.800 15.263 -5.274 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.621 13.541 -4.859 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.731 12.348 -9.439 1.00 0.56 N ATOM 2072 CA ASP A 130 -10.055 12.046 -10.859 1.00 0.91 C ATOM 2073 C ASP A 130 -10.640 10.637 -10.956 1.00 1.05 C ATOM 2074 O ASP A 130 -11.674 10.420 -11.556 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.776 12.130 -11.686 1.00 2.23 C ATOM 2076 CG ASP A 130 -8.296 13.582 -11.736 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -9.085 14.459 -11.419 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -7.144 13.791 -12.080 1.00 3.36 O ATOM 0 H ASP A 130 -8.750 12.555 -9.250 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.783 12.764 -11.236 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -8.005 11.496 -11.249 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.958 11.761 -12.695 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.987 9.677 -10.361 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.504 8.280 -10.401 1.00 1.68 C ATOM 2085 C LEU A 131 -11.763 8.194 -9.542 1.00 2.00 C ATOM 2086 O LEU A 131 -12.699 7.484 -9.852 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.436 7.330 -9.853 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.185 7.381 -10.739 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.126 6.448 -10.149 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.533 6.930 -12.173 1.00 3.54 C ATOM 0 H LEU A 131 -9.115 9.800 -9.847 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.742 7.998 -11.427 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.180 7.609 -8.831 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.826 6.313 -9.818 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.804 8.402 -10.776 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.231 6.475 -10.770 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.877 6.773 -9.139 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.515 5.430 -10.117 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.638 6.970 -12.794 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.914 5.909 -12.151 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.293 7.592 -12.588 1.00 3.54 H new ATOM 2102 N THR A 132 -11.781 8.927 -8.464 1.00 2.68 N ATOM 2103 CA THR A 132 -12.952 8.939 -7.547 1.00 3.30 C ATOM 2104 C THR A 132 -13.555 10.338 -7.563 1.00 3.72 C ATOM 2105 O THR A 132 -13.294 11.160 -6.707 1.00 3.94 O ATOM 2106 CB THR A 132 -12.485 8.594 -6.127 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.927 9.752 -5.535 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.410 7.493 -6.163 1.00 4.63 C ATOM 0 H THR A 132 -11.013 9.533 -8.175 1.00 2.68 H new ATOM 0 HA THR A 132 -13.695 8.208 -7.866 1.00 3.30 H new ATOM 0 HB THR A 132 -13.340 8.239 -5.552 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.228 9.490 -4.900 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.091 7.262 -5.146 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.822 6.597 -6.626 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.554 7.839 -6.742 1.00 4.63 H new ATOM 2116 N ASN A 133 -14.353 10.626 -8.537 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.955 11.975 -8.610 1.00 4.82 C ATOM 2118 C ASN A 133 -16.040 12.074 -7.516 1.00 5.34 C ATOM 2119 O ASN A 133 -16.607 11.074 -7.134 1.00 5.43 O ATOM 2120 CB ASN A 133 -15.561 12.166 -10.006 1.00 5.42 C ATOM 2121 CG ASN A 133 -14.449 12.515 -11.001 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -14.151 13.672 -11.214 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -13.818 11.553 -11.620 1.00 6.48 N ATOM 0 H ASN A 133 -14.616 9.987 -9.287 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.211 12.754 -8.446 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -16.072 11.256 -10.320 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -16.307 12.960 -9.985 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -13.075 11.774 -12.282 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -14.069 10.581 -11.441 1.00 6.48 H new TER 2130 ASN A 133