USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 73 ASN : amide:sc= 1.12 K(o=1.2,f=-0.25) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.1 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00743) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.35 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.468 (180deg=-1.33!) USER MOD Single : A 83 TYR OH : rot -1:sc= 0.406 USER MOD Single : A 84 ASN : amide:sc= 0.715 K(o=0.71,f=-2.1!) USER MOD Single : A 85 THR OG1 : rot -75:sc= 0.988 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -10:sc= 0.56 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= 1.15 F(o=-0.053,f=1.2) USER MOD Single : A 98 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.047) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 100 ASN : amide:sc= -2.08! C(o=-2.1!,f=-2.3!) USER MOD Single : A 103 ASN : amide:sc= -0.0482 K(o=-0.048,f=-6.1!) USER MOD Single : A 105 MET CE :methyl 156:sc= -0.218 (180deg=-0.867) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0012) USER MOD Single : A 117 ASN : amide:sc= 0.028 X(o=0.028,f=0) USER MOD Single : A 118 THR OG1 : rot 21:sc= 0.779 USER MOD Single : A 119 LYS NZ :NH3+ -135:sc= -1.93! (180deg=-4.24!) USER MOD Single : A 121 GLN : amide:sc= 1.1 K(o=1.1,f=-0.55) USER MOD Single : A 122 MET CE :methyl 163:sc= -0.132 (180deg=-0.612) USER MOD Single : A 127 ASN : amide:sc= 0.0191 X(o=0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -8.222 -23.307 2.941 1.00 10.99 N ATOM 2 CA ALA A 49 -7.496 -24.141 1.955 1.00 10.59 C ATOM 3 C ALA A 49 -7.854 -23.728 0.534 1.00 10.09 C ATOM 4 O ALA A 49 -6.981 -23.384 -0.264 1.00 10.24 O ATOM 5 CB ALA A 49 -7.807 -25.616 2.171 1.00 10.72 C ATOM 0 HA ALA A 49 -6.427 -23.986 2.100 1.00 10.59 H new ATOM 0 HB1 ALA A 49 -7.265 -26.213 1.438 1.00 10.72 H new ATOM 0 HB2 ALA A 49 -7.501 -25.909 3.175 1.00 10.72 H new ATOM 0 HB3 ALA A 49 -8.878 -25.783 2.055 1.00 10.72 H new ATOM 13 N ASN A 50 -9.142 -23.750 0.224 1.00 9.73 N ATOM 14 CA ASN A 50 -9.608 -23.402 -1.110 1.00 9.49 C ATOM 15 C ASN A 50 -10.100 -21.970 -1.143 1.00 9.07 C ATOM 16 O ASN A 50 -10.922 -21.564 -0.320 1.00 9.09 O ATOM 17 CB ASN A 50 -10.722 -24.346 -1.562 1.00 9.92 C ATOM 18 CG ASN A 50 -10.218 -25.752 -1.807 1.00 10.26 C ATOM 19 OD1 ASN A 50 -10.226 -26.593 -0.907 1.00 10.37 O ATOM 20 ND2 ASN A 50 -9.768 -26.013 -3.024 1.00 10.66 N ATOM 0 H ASN A 50 -9.882 -24.005 0.878 1.00 9.73 H new ATOM 0 HA ASN A 50 -8.768 -23.504 -1.797 1.00 9.49 H new ATOM 0 HB2 ASN A 50 -11.505 -24.370 -0.804 1.00 9.92 H new ATOM 0 HB3 ASN A 50 -11.174 -23.960 -2.476 1.00 9.92 H new ATOM 0 HD21 ASN A 50 -9.409 -26.941 -3.247 1.00 10.66 H new ATOM 0 HD22 ASN A 50 -9.780 -25.286 -3.739 1.00 10.66 H new ATOM 27 N GLN A 51 -9.592 -21.199 -2.092 1.00 8.96 N ATOM 28 CA GLN A 51 -9.975 -19.807 -2.220 1.00 8.86 C ATOM 29 C GLN A 51 -10.173 -19.425 -3.676 1.00 8.35 C ATOM 30 O GLN A 51 -9.333 -19.709 -4.530 1.00 8.67 O ATOM 31 CB GLN A 51 -8.931 -18.880 -1.594 1.00 9.29 C ATOM 32 CG GLN A 51 -8.764 -19.056 -0.096 1.00 9.73 C ATOM 33 CD GLN A 51 -7.924 -17.961 0.527 1.00 10.28 C ATOM 34 OE1 GLN A 51 -8.107 -17.619 1.694 1.00 10.58 O ATOM 35 NE2 GLN A 51 -7.006 -17.396 -0.246 1.00 10.65 N ATOM 0 H GLN A 51 -8.913 -21.517 -2.784 1.00 8.96 H new ATOM 0 HA GLN A 51 -10.918 -19.688 -1.687 1.00 8.86 H new ATOM 0 HB2 GLN A 51 -7.970 -19.053 -2.079 1.00 9.29 H new ATOM 0 HB3 GLN A 51 -9.210 -17.846 -1.799 1.00 9.29 H new ATOM 0 HG2 GLN A 51 -9.746 -19.069 0.377 1.00 9.73 H new ATOM 0 HG3 GLN A 51 -8.301 -20.022 0.104 1.00 9.73 H new ATOM 0 HE21 GLN A 51 -6.887 -17.710 -1.209 1.00 10.65 H new ATOM 0 HE22 GLN A 51 -6.419 -16.648 0.123 1.00 10.65 H new ATOM 44 N GLN A 52 -11.296 -18.794 -3.945 1.00 7.81 N ATOM 45 CA GLN A 52 -11.565 -18.205 -5.243 1.00 7.53 C ATOM 46 C GLN A 52 -11.837 -16.722 -5.049 1.00 6.60 C ATOM 47 O GLN A 52 -12.737 -16.140 -5.655 1.00 6.71 O ATOM 48 CB GLN A 52 -12.747 -18.909 -5.916 1.00 8.12 C ATOM 49 CG GLN A 52 -13.955 -19.077 -5.006 1.00 8.64 C ATOM 50 CD GLN A 52 -15.077 -19.847 -5.670 1.00 9.29 C ATOM 51 OE1 GLN A 52 -15.965 -19.263 -6.292 1.00 9.82 O ATOM 52 NE2 GLN A 52 -15.034 -21.168 -5.556 1.00 9.51 N ATOM 0 H GLN A 52 -12.051 -18.674 -3.270 1.00 7.81 H new ATOM 0 HA GLN A 52 -10.704 -18.329 -5.899 1.00 7.53 H new ATOM 0 HB2 GLN A 52 -13.043 -18.341 -6.798 1.00 8.12 H new ATOM 0 HB3 GLN A 52 -12.425 -19.891 -6.263 1.00 8.12 H new ATOM 0 HG2 GLN A 52 -13.652 -19.595 -4.096 1.00 8.64 H new ATOM 0 HG3 GLN A 52 -14.320 -18.095 -4.707 1.00 8.64 H new ATOM 0 HE21 GLN A 52 -14.280 -21.610 -5.031 1.00 9.51 H new ATOM 0 HE22 GLN A 52 -15.755 -21.741 -5.993 1.00 9.51 H new ATOM 61 N THR A 53 -11.043 -16.125 -4.173 1.00 5.98 N ATOM 62 CA THR A 53 -11.223 -14.743 -3.774 1.00 5.23 C ATOM 63 C THR A 53 -10.469 -13.798 -4.702 1.00 4.28 C ATOM 64 O THR A 53 -9.334 -14.069 -5.096 1.00 4.32 O ATOM 65 CB THR A 53 -10.744 -14.544 -2.323 1.00 5.71 C ATOM 66 OG1 THR A 53 -11.369 -15.525 -1.482 1.00 6.51 O ATOM 67 CG2 THR A 53 -11.080 -13.148 -1.814 1.00 5.97 C ATOM 0 H THR A 53 -10.255 -16.588 -3.720 1.00 5.98 H new ATOM 0 HA THR A 53 -12.286 -14.510 -3.840 1.00 5.23 H new ATOM 0 HB THR A 53 -9.660 -14.660 -2.299 1.00 5.71 H new ATOM 0 HG1 THR A 53 -11.066 -15.404 -0.558 1.00 6.51 H new ATOM 0 HG21 THR A 53 -10.729 -13.041 -0.788 1.00 5.97 H new ATOM 0 HG22 THR A 53 -10.593 -12.404 -2.444 1.00 5.97 H new ATOM 0 HG23 THR A 53 -12.159 -12.999 -1.845 1.00 5.97 H new ATOM 75 N SER A 54 -11.117 -12.704 -5.062 1.00 3.92 N ATOM 76 CA SER A 54 -10.499 -11.687 -5.889 1.00 3.46 C ATOM 77 C SER A 54 -10.734 -10.318 -5.262 1.00 2.50 C ATOM 78 O SER A 54 -11.592 -10.173 -4.387 1.00 2.81 O ATOM 79 CB SER A 54 -11.069 -11.741 -7.307 1.00 4.27 C ATOM 80 OG SER A 54 -10.350 -10.892 -8.187 1.00 4.83 O ATOM 0 H SER A 54 -12.079 -12.498 -4.791 1.00 3.92 H new ATOM 0 HA SER A 54 -9.426 -11.868 -5.951 1.00 3.46 H new ATOM 0 HB2 SER A 54 -11.032 -12.766 -7.677 1.00 4.27 H new ATOM 0 HB3 SER A 54 -12.118 -11.446 -7.290 1.00 4.27 H new ATOM 0 HG SER A 54 -10.737 -10.949 -9.086 1.00 4.83 H new ATOM 86 N GLY A 55 -9.979 -9.323 -5.698 1.00 1.89 N ATOM 87 CA GLY A 55 -10.078 -8.000 -5.108 1.00 1.43 C ATOM 88 C GLY A 55 -8.945 -7.734 -4.141 1.00 1.16 C ATOM 89 O GLY A 55 -8.420 -6.623 -4.073 1.00 1.28 O ATOM 0 H GLY A 55 -9.297 -9.405 -6.452 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -10.068 -7.248 -5.897 1.00 1.43 H new ATOM 0 HA3 GLY A 55 -11.031 -7.904 -4.588 1.00 1.43 H new ATOM 93 N LYS A 56 -8.565 -8.766 -3.402 1.00 0.98 N ATOM 94 CA LYS A 56 -7.449 -8.689 -2.487 1.00 0.77 C ATOM 95 C LYS A 56 -6.155 -9.059 -3.194 1.00 0.71 C ATOM 96 O LYS A 56 -6.172 -9.648 -4.278 1.00 0.78 O ATOM 97 CB LYS A 56 -7.688 -9.607 -1.292 1.00 0.83 C ATOM 98 CG LYS A 56 -8.300 -8.887 -0.110 1.00 0.96 C ATOM 99 CD LYS A 56 -9.647 -8.264 -0.442 1.00 1.29 C ATOM 100 CE LYS A 56 -10.016 -7.199 0.578 1.00 1.31 C ATOM 101 NZ LYS A 56 -11.285 -6.510 0.233 1.00 1.99 N ATOM 0 H LYS A 56 -9.024 -9.676 -3.424 1.00 0.98 H new ATOM 0 HA LYS A 56 -7.360 -7.664 -2.128 1.00 0.77 H new ATOM 0 HB2 LYS A 56 -8.344 -10.424 -1.593 1.00 0.83 H new ATOM 0 HB3 LYS A 56 -6.741 -10.054 -0.988 1.00 0.83 H new ATOM 0 HG2 LYS A 56 -8.421 -9.588 0.716 1.00 0.96 H new ATOM 0 HG3 LYS A 56 -7.617 -8.109 0.231 1.00 0.96 H new ATOM 0 HD2 LYS A 56 -9.613 -7.823 -1.438 1.00 1.29 H new ATOM 0 HD3 LYS A 56 -10.415 -9.037 -0.461 1.00 1.29 H new ATOM 0 HE2 LYS A 56 -10.109 -7.658 1.562 1.00 1.31 H new ATOM 0 HE3 LYS A 56 -9.212 -6.466 0.643 1.00 1.31 H new ATOM 0 HZ1 LYS A 56 -11.498 -5.792 0.955 1.00 1.99 H new ATOM 0 HZ2 LYS A 56 -11.189 -6.050 -0.695 1.00 1.99 H new ATOM 0 HZ3 LYS A 56 -12.058 -7.204 0.197 1.00 1.99 H new ATOM 115 N VAL A 57 -5.037 -8.709 -2.583 1.00 0.65 N ATOM 116 CA VAL A 57 -3.744 -8.832 -3.237 1.00 0.65 C ATOM 117 C VAL A 57 -2.882 -9.892 -2.566 1.00 0.69 C ATOM 118 O VAL A 57 -2.856 -9.999 -1.340 1.00 0.68 O ATOM 119 CB VAL A 57 -2.980 -7.495 -3.201 1.00 0.57 C ATOM 120 CG1 VAL A 57 -1.816 -7.508 -4.181 1.00 0.61 C ATOM 121 CG2 VAL A 57 -3.911 -6.322 -3.470 1.00 0.56 C ATOM 0 H VAL A 57 -4.997 -8.337 -1.634 1.00 0.65 H new ATOM 0 HA VAL A 57 -3.940 -9.121 -4.270 1.00 0.65 H new ATOM 0 HB VAL A 57 -2.572 -7.370 -2.198 1.00 0.57 H new ATOM 0 HG11 VAL A 57 -1.292 -6.553 -4.137 1.00 0.61 H new ATOM 0 HG12 VAL A 57 -1.128 -8.312 -3.918 1.00 0.61 H new ATOM 0 HG13 VAL A 57 -2.193 -7.669 -5.191 1.00 0.61 H new ATOM 0 HG21 VAL A 57 -3.343 -5.392 -3.438 1.00 0.56 H new ATOM 0 HG22 VAL A 57 -4.365 -6.436 -4.454 1.00 0.56 H new ATOM 0 HG23 VAL A 57 -4.692 -6.296 -2.711 1.00 0.56 H new ATOM 131 N LEU A 58 -2.177 -10.662 -3.377 1.00 0.80 N ATOM 132 CA LEU A 58 -1.229 -11.641 -2.878 1.00 0.86 C ATOM 133 C LEU A 58 0.194 -11.147 -3.118 1.00 0.85 C ATOM 134 O LEU A 58 0.637 -11.040 -4.261 1.00 0.93 O ATOM 135 CB LEU A 58 -1.439 -12.987 -3.575 1.00 1.02 C ATOM 136 CG LEU A 58 -0.505 -14.106 -3.119 1.00 1.10 C ATOM 137 CD1 LEU A 58 -0.987 -14.678 -1.800 1.00 1.08 C ATOM 138 CD2 LEU A 58 -0.424 -15.197 -4.174 1.00 1.27 C ATOM 0 H LEU A 58 -2.245 -10.626 -4.394 1.00 0.80 H new ATOM 0 HA LEU A 58 -1.388 -11.774 -1.808 1.00 0.86 H new ATOM 0 HB2 LEU A 58 -2.469 -13.306 -3.413 1.00 1.02 H new ATOM 0 HB3 LEU A 58 -1.314 -12.846 -4.649 1.00 1.02 H new ATOM 0 HG LEU A 58 0.494 -13.693 -2.979 1.00 1.10 H new ATOM 0 HD11 LEU A 58 -0.315 -15.475 -1.482 1.00 1.08 H new ATOM 0 HD12 LEU A 58 -1.000 -13.892 -1.045 1.00 1.08 H new ATOM 0 HD13 LEU A 58 -1.993 -15.079 -1.923 1.00 1.08 H new ATOM 0 HD21 LEU A 58 0.246 -15.986 -3.831 1.00 1.27 H new ATOM 0 HD22 LEU A 58 -1.417 -15.613 -4.344 1.00 1.27 H new ATOM 0 HD23 LEU A 58 -0.043 -14.776 -5.104 1.00 1.27 H new ATOM 150 N TYR A 59 0.905 -10.835 -2.045 1.00 0.81 N ATOM 151 CA TYR A 59 2.270 -10.345 -2.157 1.00 0.83 C ATOM 152 C TYR A 59 3.227 -11.298 -1.435 1.00 0.90 C ATOM 153 O TYR A 59 3.075 -11.577 -0.245 1.00 0.87 O ATOM 154 CB TYR A 59 2.377 -8.904 -1.616 1.00 0.73 C ATOM 155 CG TYR A 59 2.668 -8.807 -0.137 1.00 0.67 C ATOM 156 CD1 TYR A 59 1.715 -9.148 0.809 1.00 0.63 C ATOM 157 CD2 TYR A 59 3.918 -8.396 0.306 1.00 0.72 C ATOM 158 CE1 TYR A 59 1.997 -9.083 2.159 1.00 0.66 C ATOM 159 CE2 TYR A 59 4.208 -8.323 1.652 1.00 0.73 C ATOM 160 CZ TYR A 59 3.246 -8.669 2.575 1.00 0.71 C ATOM 161 OH TYR A 59 3.528 -8.602 3.919 1.00 0.79 O ATOM 0 H TYR A 59 0.560 -10.912 -1.088 1.00 0.81 H new ATOM 0 HA TYR A 59 2.556 -10.316 -3.209 1.00 0.83 H new ATOM 0 HB2 TYR A 59 3.163 -8.382 -2.162 1.00 0.73 H new ATOM 0 HB3 TYR A 59 1.443 -8.382 -1.824 1.00 0.73 H new ATOM 0 HD1 TYR A 59 0.736 -9.470 0.485 1.00 0.63 H new ATOM 0 HD2 TYR A 59 4.676 -8.129 -0.416 1.00 0.72 H new ATOM 0 HE1 TYR A 59 1.245 -9.354 2.885 1.00 0.66 H new ATOM 0 HE2 TYR A 59 5.184 -7.996 1.981 1.00 0.73 H new ATOM 0 HH TYR A 59 4.450 -8.294 4.045 1.00 0.79 H new ATOM 171 N GLU A 60 4.159 -11.861 -2.199 1.00 1.03 N ATOM 172 CA GLU A 60 5.204 -12.747 -1.671 1.00 1.14 C ATOM 173 C GLU A 60 4.630 -14.010 -1.034 1.00 1.16 C ATOM 174 O GLU A 60 5.352 -14.796 -0.422 1.00 1.25 O ATOM 175 CB GLU A 60 6.083 -12.005 -0.666 1.00 1.15 C ATOM 176 CG GLU A 60 6.716 -10.757 -1.244 1.00 1.21 C ATOM 177 CD GLU A 60 7.535 -9.992 -0.227 1.00 2.02 C ATOM 178 OE1 GLU A 60 7.051 -9.792 0.907 1.00 3.04 O ATOM 179 OE2 GLU A 60 8.667 -9.579 -0.557 1.00 1.94 O ATOM 0 H GLU A 60 4.215 -11.718 -3.207 1.00 1.03 H new ATOM 0 HA GLU A 60 5.812 -13.058 -2.521 1.00 1.14 H new ATOM 0 HB2 GLU A 60 5.483 -11.733 0.202 1.00 1.15 H new ATOM 0 HB3 GLU A 60 6.868 -12.674 -0.314 1.00 1.15 H new ATOM 0 HG2 GLU A 60 7.354 -11.034 -2.084 1.00 1.21 H new ATOM 0 HG3 GLU A 60 5.934 -10.107 -1.638 1.00 1.21 H new ATOM 186 N GLY A 61 3.338 -14.208 -1.210 1.00 1.11 N ATOM 187 CA GLY A 61 2.668 -15.352 -0.623 1.00 1.17 C ATOM 188 C GLY A 61 1.635 -14.959 0.417 1.00 1.11 C ATOM 189 O GLY A 61 0.732 -15.739 0.724 1.00 1.23 O ATOM 0 H GLY A 61 2.732 -13.593 -1.754 1.00 1.11 H new ATOM 0 HA2 GLY A 61 2.182 -15.927 -1.412 1.00 1.17 H new ATOM 0 HA3 GLY A 61 3.410 -16.005 -0.163 1.00 1.17 H new ATOM 193 N LYS A 62 1.757 -13.750 0.954 1.00 0.99 N ATOM 194 CA LYS A 62 0.793 -13.247 1.928 1.00 0.94 C ATOM 195 C LYS A 62 -0.326 -12.510 1.209 1.00 0.86 C ATOM 196 O LYS A 62 -0.128 -11.965 0.128 1.00 0.80 O ATOM 197 CB LYS A 62 1.468 -12.297 2.925 1.00 0.87 C ATOM 198 CG LYS A 62 0.588 -11.897 4.100 1.00 0.89 C ATOM 199 CD LYS A 62 1.311 -10.943 5.041 1.00 0.91 C ATOM 200 CE LYS A 62 2.284 -11.664 5.957 1.00 1.15 C ATOM 201 NZ LYS A 62 1.587 -12.376 7.060 1.00 1.52 N ATOM 0 H LYS A 62 2.512 -13.101 0.732 1.00 0.99 H new ATOM 0 HA LYS A 62 0.385 -14.096 2.476 1.00 0.94 H new ATOM 0 HB2 LYS A 62 2.371 -12.772 3.307 1.00 0.87 H new ATOM 0 HB3 LYS A 62 1.781 -11.396 2.397 1.00 0.87 H new ATOM 0 HG2 LYS A 62 -0.322 -11.424 3.730 1.00 0.89 H new ATOM 0 HG3 LYS A 62 0.284 -12.789 4.648 1.00 0.89 H new ATOM 0 HD2 LYS A 62 1.850 -10.198 4.456 1.00 0.91 H new ATOM 0 HD3 LYS A 62 0.579 -10.406 5.643 1.00 0.91 H new ATOM 0 HE2 LYS A 62 2.867 -12.378 5.376 1.00 1.15 H new ATOM 0 HE3 LYS A 62 2.987 -10.945 6.377 1.00 1.15 H new ATOM 0 HZ1 LYS A 62 2.290 -12.798 7.700 1.00 1.52 H new ATOM 0 HZ2 LYS A 62 0.997 -11.703 7.589 1.00 1.52 H new ATOM 0 HZ3 LYS A 62 0.986 -13.126 6.664 1.00 1.52 H new ATOM 215 N GLU A 63 -1.492 -12.486 1.818 1.00 0.88 N ATOM 216 CA GLU A 63 -2.641 -11.806 1.242 1.00 0.82 C ATOM 217 C GLU A 63 -2.969 -10.558 2.045 1.00 0.70 C ATOM 218 O GLU A 63 -2.905 -10.566 3.274 1.00 0.74 O ATOM 219 CB GLU A 63 -3.858 -12.731 1.192 1.00 0.98 C ATOM 220 CG GLU A 63 -3.763 -13.817 0.139 1.00 1.11 C ATOM 221 CD GLU A 63 -4.997 -14.692 0.098 1.00 1.37 C ATOM 222 OE1 GLU A 63 -5.089 -15.639 0.906 1.00 1.49 O ATOM 223 OE2 GLU A 63 -5.887 -14.436 -0.742 1.00 1.59 O ATOM 0 H GLU A 63 -1.674 -12.931 2.718 1.00 0.88 H new ATOM 0 HA GLU A 63 -2.388 -11.518 0.222 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -3.988 -13.197 2.169 1.00 0.98 H new ATOM 0 HB3 GLU A 63 -4.749 -12.132 1.003 1.00 0.98 H new ATOM 0 HG2 GLU A 63 -3.613 -13.359 -0.839 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -2.888 -14.436 0.338 1.00 1.11 H new ATOM 230 N PHE A 64 -3.302 -9.487 1.345 1.00 0.59 N ATOM 231 CA PHE A 64 -3.697 -8.246 1.988 1.00 0.49 C ATOM 232 C PHE A 64 -4.863 -7.609 1.261 1.00 0.47 C ATOM 233 O PHE A 64 -5.191 -8.007 0.142 1.00 0.54 O ATOM 234 CB PHE A 64 -2.535 -7.256 2.055 1.00 0.39 C ATOM 235 CG PHE A 64 -1.948 -7.131 3.433 1.00 0.43 C ATOM 236 CD1 PHE A 64 -2.586 -6.380 4.406 1.00 0.53 C ATOM 237 CD2 PHE A 64 -0.762 -7.769 3.757 1.00 0.46 C ATOM 238 CE1 PHE A 64 -2.054 -6.268 5.676 1.00 0.63 C ATOM 239 CE2 PHE A 64 -0.222 -7.659 5.023 1.00 0.56 C ATOM 240 CZ PHE A 64 -0.869 -6.908 5.986 1.00 0.64 C ATOM 0 H PHE A 64 -3.306 -9.453 0.326 1.00 0.59 H new ATOM 0 HA PHE A 64 -4.001 -8.494 3.005 1.00 0.49 H new ATOM 0 HB2 PHE A 64 -1.756 -7.572 1.361 1.00 0.39 H new ATOM 0 HB3 PHE A 64 -2.880 -6.277 1.723 1.00 0.39 H new ATOM 0 HD1 PHE A 64 -3.511 -5.876 4.169 1.00 0.53 H new ATOM 0 HD2 PHE A 64 -0.253 -8.360 3.010 1.00 0.46 H new ATOM 0 HE1 PHE A 64 -2.564 -5.681 6.426 1.00 0.63 H new ATOM 0 HE2 PHE A 64 0.705 -8.159 5.260 1.00 0.56 H new ATOM 0 HZ PHE A 64 -0.450 -6.822 6.978 1.00 0.64 H new ATOM 250 N ASP A 65 -5.463 -6.621 1.900 1.00 0.42 N ATOM 251 CA ASP A 65 -6.607 -5.905 1.338 1.00 0.42 C ATOM 252 C ASP A 65 -6.229 -5.298 -0.003 1.00 0.39 C ATOM 253 O ASP A 65 -6.684 -5.743 -1.057 1.00 0.45 O ATOM 254 CB ASP A 65 -7.077 -4.789 2.285 1.00 0.43 C ATOM 255 CG ASP A 65 -7.743 -5.290 3.552 1.00 0.66 C ATOM 256 OD1 ASP A 65 -7.423 -6.423 3.979 1.00 1.04 O ATOM 257 OD2 ASP A 65 -8.609 -4.580 4.103 1.00 1.23 O ATOM 0 H ASP A 65 -5.176 -6.289 2.821 1.00 0.42 H new ATOM 0 HA ASP A 65 -7.421 -6.618 1.206 1.00 0.42 H new ATOM 0 HB2 ASP A 65 -6.220 -4.174 2.557 1.00 0.43 H new ATOM 0 HB3 ASP A 65 -7.775 -4.144 1.751 1.00 0.43 H new ATOM 262 N TYR A 66 -5.376 -4.291 0.052 1.00 0.33 N ATOM 263 CA TYR A 66 -4.910 -3.609 -1.141 1.00 0.33 C ATOM 264 C TYR A 66 -3.447 -3.234 -0.991 1.00 0.30 C ATOM 265 O TYR A 66 -3.120 -2.264 -0.311 1.00 0.28 O ATOM 266 CB TYR A 66 -5.735 -2.343 -1.398 1.00 0.36 C ATOM 267 CG TYR A 66 -7.157 -2.610 -1.839 1.00 0.44 C ATOM 268 CD1 TYR A 66 -7.442 -2.959 -3.152 1.00 0.61 C ATOM 269 CD2 TYR A 66 -8.215 -2.511 -0.940 1.00 0.49 C ATOM 270 CE1 TYR A 66 -8.739 -3.199 -3.559 1.00 0.75 C ATOM 271 CE2 TYR A 66 -9.513 -2.752 -1.343 1.00 0.64 C ATOM 272 CZ TYR A 66 -9.770 -3.096 -2.651 1.00 0.74 C ATOM 273 OH TYR A 66 -11.061 -3.332 -3.054 1.00 0.92 O ATOM 0 H TYR A 66 -4.988 -3.924 0.921 1.00 0.33 H new ATOM 0 HA TYR A 66 -5.027 -4.286 -1.987 1.00 0.33 H new ATOM 0 HB2 TYR A 66 -5.755 -1.744 -0.487 1.00 0.36 H new ATOM 0 HB3 TYR A 66 -5.236 -1.746 -2.161 1.00 0.36 H new ATOM 0 HD1 TYR A 66 -6.636 -3.044 -3.866 1.00 0.61 H new ATOM 0 HD2 TYR A 66 -8.018 -2.242 0.087 1.00 0.49 H new ATOM 0 HE1 TYR A 66 -8.945 -3.466 -4.585 1.00 0.75 H new ATOM 0 HE2 TYR A 66 -10.324 -2.671 -0.635 1.00 0.64 H new ATOM 0 HH TYR A 66 -11.667 -3.219 -2.292 1.00 0.92 H new ATOM 283 N VAL A 67 -2.558 -4.007 -1.592 1.00 0.33 N ATOM 284 CA VAL A 67 -1.155 -3.646 -1.592 1.00 0.31 C ATOM 285 C VAL A 67 -0.879 -2.724 -2.781 1.00 0.33 C ATOM 286 O VAL A 67 -1.371 -2.949 -3.892 1.00 0.41 O ATOM 287 CB VAL A 67 -0.205 -4.878 -1.591 1.00 0.33 C ATOM 288 CG1 VAL A 67 -0.869 -6.066 -0.908 1.00 0.36 C ATOM 289 CG2 VAL A 67 0.284 -5.246 -2.983 1.00 0.41 C ATOM 0 H VAL A 67 -2.780 -4.875 -2.079 1.00 0.33 H new ATOM 0 HA VAL A 67 -0.942 -3.121 -0.661 1.00 0.31 H new ATOM 0 HB VAL A 67 0.680 -4.597 -1.020 1.00 0.33 H new ATOM 0 HG11 VAL A 67 -0.189 -6.918 -0.917 1.00 0.36 H new ATOM 0 HG12 VAL A 67 -1.110 -5.805 0.123 1.00 0.36 H new ATOM 0 HG13 VAL A 67 -1.784 -6.327 -1.440 1.00 0.36 H new ATOM 0 HG21 VAL A 67 0.943 -6.112 -2.920 1.00 0.41 H new ATOM 0 HG22 VAL A 67 -0.570 -5.485 -3.617 1.00 0.41 H new ATOM 0 HG23 VAL A 67 0.830 -4.405 -3.411 1.00 0.41 H new ATOM 299 N PHE A 68 -0.132 -1.668 -2.533 1.00 0.28 N ATOM 300 CA PHE A 68 0.141 -0.672 -3.553 1.00 0.30 C ATOM 301 C PHE A 68 1.400 -1.030 -4.319 1.00 0.27 C ATOM 302 O PHE A 68 2.345 -1.554 -3.751 1.00 0.24 O ATOM 303 CB PHE A 68 0.301 0.706 -2.913 1.00 0.30 C ATOM 304 CG PHE A 68 0.562 1.801 -3.905 1.00 0.35 C ATOM 305 CD1 PHE A 68 -0.276 1.999 -4.991 1.00 0.41 C ATOM 306 CD2 PHE A 68 1.658 2.624 -3.753 1.00 0.37 C ATOM 307 CE1 PHE A 68 -0.020 3.003 -5.905 1.00 0.46 C ATOM 308 CE2 PHE A 68 1.923 3.630 -4.662 1.00 0.44 C ATOM 309 CZ PHE A 68 1.082 3.820 -5.739 1.00 0.48 C ATOM 0 H PHE A 68 0.300 -1.475 -1.629 1.00 0.28 H new ATOM 0 HA PHE A 68 -0.699 -0.649 -4.247 1.00 0.30 H new ATOM 0 HB2 PHE A 68 -0.602 0.944 -2.351 1.00 0.30 H new ATOM 0 HB3 PHE A 68 1.122 0.672 -2.197 1.00 0.30 H new ATOM 0 HD1 PHE A 68 -1.138 1.362 -5.124 1.00 0.41 H new ATOM 0 HD2 PHE A 68 2.319 2.480 -2.911 1.00 0.37 H new ATOM 0 HE1 PHE A 68 -0.680 3.149 -6.747 1.00 0.46 H new ATOM 0 HE2 PHE A 68 2.786 4.266 -4.530 1.00 0.44 H new ATOM 0 HZ PHE A 68 1.285 4.606 -6.451 1.00 0.48 H new ATOM 319 N SER A 69 1.412 -0.759 -5.603 1.00 0.32 N ATOM 320 CA SER A 69 2.573 -1.048 -6.411 1.00 0.32 C ATOM 321 C SER A 69 3.464 0.186 -6.490 1.00 0.36 C ATOM 322 O SER A 69 3.046 1.246 -6.958 1.00 0.44 O ATOM 323 CB SER A 69 2.139 -1.508 -7.801 1.00 0.42 C ATOM 324 OG SER A 69 1.123 -2.493 -7.720 1.00 1.38 O ATOM 0 H SER A 69 0.632 -0.340 -6.110 1.00 0.32 H new ATOM 0 HA SER A 69 3.146 -1.854 -5.953 1.00 0.32 H new ATOM 0 HB2 SER A 69 1.777 -0.654 -8.373 1.00 0.42 H new ATOM 0 HB3 SER A 69 2.998 -1.910 -8.338 1.00 0.42 H new ATOM 0 HG SER A 69 0.862 -2.769 -8.623 1.00 1.38 H new ATOM 330 N ILE A 70 4.685 0.040 -6.010 1.00 0.34 N ATOM 331 CA ILE A 70 5.625 1.137 -5.946 1.00 0.43 C ATOM 332 C ILE A 70 6.497 1.155 -7.190 1.00 0.45 C ATOM 333 O ILE A 70 7.229 0.193 -7.460 1.00 0.43 O ATOM 334 CB ILE A 70 6.524 1.021 -4.707 1.00 0.48 C ATOM 335 CG1 ILE A 70 5.673 1.083 -3.444 1.00 0.52 C ATOM 336 CG2 ILE A 70 7.583 2.118 -4.693 1.00 0.64 C ATOM 337 CD1 ILE A 70 4.907 2.382 -3.290 1.00 0.51 C ATOM 0 H ILE A 70 5.050 -0.843 -5.654 1.00 0.34 H new ATOM 0 HA ILE A 70 5.052 2.062 -5.883 1.00 0.43 H new ATOM 0 HB ILE A 70 7.040 0.062 -4.742 1.00 0.48 H new ATOM 0 HG12 ILE A 70 4.966 0.253 -3.451 1.00 0.52 H new ATOM 0 HG13 ILE A 70 6.317 0.946 -2.575 1.00 0.52 H new ATOM 0 HG21 ILE A 70 8.205 2.012 -3.805 1.00 0.64 H new ATOM 0 HG22 ILE A 70 8.205 2.034 -5.584 1.00 0.64 H new ATOM 0 HG23 ILE A 70 7.096 3.093 -4.680 1.00 0.64 H new ATOM 0 HD11 ILE A 70 4.324 2.354 -2.369 1.00 0.51 H new ATOM 0 HD12 ILE A 70 5.608 3.215 -3.250 1.00 0.51 H new ATOM 0 HD13 ILE A 70 4.237 2.512 -4.140 1.00 0.51 H new ATOM 349 N ASP A 71 6.414 2.248 -7.939 1.00 0.60 N ATOM 350 CA ASP A 71 7.229 2.430 -9.129 1.00 0.75 C ATOM 351 C ASP A 71 8.424 3.307 -8.810 1.00 0.76 C ATOM 352 O ASP A 71 8.292 4.338 -8.148 1.00 0.87 O ATOM 353 CB ASP A 71 6.406 3.051 -10.261 1.00 1.02 C ATOM 354 CG ASP A 71 7.260 3.463 -11.449 1.00 1.89 C ATOM 355 OD1 ASP A 71 7.981 2.600 -11.994 1.00 2.51 O ATOM 356 OD2 ASP A 71 7.218 4.646 -11.845 1.00 2.58 O ATOM 0 H ASP A 71 5.785 3.026 -7.739 1.00 0.60 H new ATOM 0 HA ASP A 71 7.582 1.453 -9.459 1.00 0.75 H new ATOM 0 HB2 ASP A 71 5.652 2.336 -10.591 1.00 1.02 H new ATOM 0 HB3 ASP A 71 5.874 3.923 -9.881 1.00 1.02 H new ATOM 361 N VAL A 72 9.583 2.886 -9.284 1.00 0.87 N ATOM 362 CA VAL A 72 10.836 3.567 -9.001 1.00 0.97 C ATOM 363 C VAL A 72 11.964 2.871 -9.752 1.00 1.04 C ATOM 364 O VAL A 72 12.917 3.500 -10.208 1.00 1.14 O ATOM 365 CB VAL A 72 11.140 3.593 -7.480 1.00 1.08 C ATOM 366 CG1 VAL A 72 11.224 2.182 -6.917 1.00 1.20 C ATOM 367 CG2 VAL A 72 12.417 4.367 -7.186 1.00 1.37 C ATOM 0 H VAL A 72 9.683 2.062 -9.877 1.00 0.87 H new ATOM 0 HA VAL A 72 10.751 4.601 -9.334 1.00 0.97 H new ATOM 0 HB VAL A 72 10.315 4.108 -6.987 1.00 1.08 H new ATOM 0 HG11 VAL A 72 11.438 2.228 -5.849 1.00 1.20 H new ATOM 0 HG12 VAL A 72 10.275 1.670 -7.075 1.00 1.20 H new ATOM 0 HG13 VAL A 72 12.020 1.635 -7.423 1.00 1.20 H new ATOM 0 HG21 VAL A 72 12.603 4.367 -6.112 1.00 1.37 H new ATOM 0 HG22 VAL A 72 13.255 3.895 -7.699 1.00 1.37 H new ATOM 0 HG23 VAL A 72 12.309 5.394 -7.536 1.00 1.37 H new ATOM 377 N ASN A 73 11.834 1.559 -9.885 1.00 1.12 N ATOM 378 CA ASN A 73 12.786 0.773 -10.646 1.00 1.26 C ATOM 379 C ASN A 73 12.164 0.340 -11.964 1.00 1.27 C ATOM 380 O ASN A 73 11.261 -0.498 -11.987 1.00 1.30 O ATOM 381 CB ASN A 73 13.216 -0.466 -9.855 1.00 1.47 C ATOM 382 CG ASN A 73 13.884 -0.137 -8.529 1.00 2.10 C ATOM 383 OD1 ASN A 73 14.566 0.880 -8.391 1.00 2.80 O ATOM 384 ND2 ASN A 73 13.687 -0.997 -7.539 1.00 2.72 N ATOM 0 H ASN A 73 11.074 1.017 -9.473 1.00 1.12 H new ATOM 0 HA ASN A 73 13.663 1.390 -10.841 1.00 1.26 H new ATOM 0 HB2 ASN A 73 12.342 -1.089 -9.668 1.00 1.47 H new ATOM 0 HB3 ASN A 73 13.903 -1.055 -10.463 1.00 1.47 H new ATOM 0 HD21 ASN A 73 14.107 -0.827 -6.625 1.00 2.72 H new ATOM 0 HD22 ASN A 73 13.116 -1.828 -7.692 1.00 2.72 H new ATOM 391 N GLU A 74 12.632 0.919 -13.059 1.00 1.36 N ATOM 392 CA GLU A 74 12.157 0.531 -14.376 1.00 1.47 C ATOM 393 C GLU A 74 13.083 -0.530 -14.950 1.00 1.66 C ATOM 394 O GLU A 74 14.208 -0.237 -15.353 1.00 1.85 O ATOM 395 CB GLU A 74 12.085 1.746 -15.306 1.00 1.58 C ATOM 396 CG GLU A 74 11.509 1.435 -16.681 1.00 1.92 C ATOM 397 CD GLU A 74 10.091 0.901 -16.614 1.00 2.42 C ATOM 398 OE1 GLU A 74 9.919 -0.323 -16.449 1.00 3.10 O ATOM 399 OE2 GLU A 74 9.141 1.708 -16.717 1.00 2.76 O ATOM 0 H GLU A 74 13.337 1.656 -13.061 1.00 1.36 H new ATOM 0 HA GLU A 74 11.151 0.121 -14.288 1.00 1.47 H new ATOM 0 HB2 GLU A 74 11.477 2.518 -14.834 1.00 1.58 H new ATOM 0 HB3 GLU A 74 13.086 2.159 -15.427 1.00 1.58 H new ATOM 0 HG2 GLU A 74 11.524 2.339 -17.290 1.00 1.92 H new ATOM 0 HG3 GLU A 74 12.145 0.704 -17.180 1.00 1.92 H new ATOM 406 N GLY A 75 12.605 -1.763 -14.970 1.00 1.72 N ATOM 407 CA GLY A 75 13.427 -2.874 -15.392 1.00 1.98 C ATOM 408 C GLY A 75 13.926 -3.673 -14.210 1.00 1.93 C ATOM 409 O GLY A 75 14.318 -4.831 -14.349 1.00 2.40 O ATOM 0 H GLY A 75 11.654 -2.015 -14.699 1.00 1.72 H new ATOM 0 HA2 GLY A 75 12.853 -3.522 -16.054 1.00 1.98 H new ATOM 0 HA3 GLY A 75 14.276 -2.503 -15.966 1.00 1.98 H new ATOM 413 N GLY A 76 13.907 -3.047 -13.042 1.00 1.65 N ATOM 414 CA GLY A 76 14.318 -3.720 -11.830 1.00 1.58 C ATOM 415 C GLY A 76 13.128 -4.177 -11.004 1.00 1.36 C ATOM 416 O GLY A 76 11.993 -4.131 -11.482 1.00 1.30 O ATOM 0 H GLY A 76 13.612 -2.079 -12.914 1.00 1.65 H new ATOM 0 HA2 GLY A 76 14.935 -4.581 -12.085 1.00 1.58 H new ATOM 0 HA3 GLY A 76 14.937 -3.049 -11.234 1.00 1.58 H new ATOM 420 N PRO A 77 13.354 -4.601 -9.752 1.00 1.34 N ATOM 421 CA PRO A 77 12.287 -5.105 -8.880 1.00 1.20 C ATOM 422 C PRO A 77 11.302 -4.016 -8.473 1.00 0.98 C ATOM 423 O PRO A 77 11.696 -2.901 -8.119 1.00 1.03 O ATOM 424 CB PRO A 77 13.042 -5.627 -7.654 1.00 1.39 C ATOM 425 CG PRO A 77 14.321 -4.862 -7.639 1.00 1.59 C ATOM 426 CD PRO A 77 14.668 -4.620 -9.082 1.00 1.55 C ATOM 0 HA PRO A 77 11.682 -5.862 -9.379 1.00 1.20 H new ATOM 0 HB2 PRO A 77 12.472 -5.463 -6.739 1.00 1.39 H new ATOM 0 HB3 PRO A 77 13.223 -6.699 -7.728 1.00 1.39 H new ATOM 0 HG2 PRO A 77 14.208 -3.921 -7.100 1.00 1.59 H new ATOM 0 HG3 PRO A 77 15.108 -5.425 -7.136 1.00 1.59 H new ATOM 0 HD2 PRO A 77 15.200 -3.678 -9.215 1.00 1.55 H new ATOM 0 HD3 PRO A 77 15.310 -5.407 -9.478 1.00 1.55 H new ATOM 434 N SER A 78 10.021 -4.343 -8.527 1.00 0.87 N ATOM 435 CA SER A 78 8.978 -3.411 -8.134 1.00 0.69 C ATOM 436 C SER A 78 8.581 -3.665 -6.682 1.00 0.53 C ATOM 437 O SER A 78 8.725 -4.780 -6.181 1.00 0.64 O ATOM 438 CB SER A 78 7.770 -3.562 -9.060 1.00 0.86 C ATOM 439 OG SER A 78 8.164 -3.454 -10.422 1.00 1.55 O ATOM 0 H SER A 78 9.678 -5.251 -8.841 1.00 0.87 H new ATOM 0 HA SER A 78 9.352 -2.391 -8.219 1.00 0.69 H new ATOM 0 HB2 SER A 78 7.293 -4.527 -8.890 1.00 0.86 H new ATOM 0 HB3 SER A 78 7.030 -2.796 -8.828 1.00 0.86 H new ATOM 0 HG SER A 78 7.378 -3.555 -10.999 1.00 1.55 H new ATOM 445 N TYR A 79 8.090 -2.636 -6.007 1.00 0.36 N ATOM 446 CA TYR A 79 7.783 -2.744 -4.586 1.00 0.35 C ATOM 447 C TYR A 79 6.277 -2.803 -4.382 1.00 0.32 C ATOM 448 O TYR A 79 5.536 -2.218 -5.157 1.00 0.43 O ATOM 449 CB TYR A 79 8.372 -1.548 -3.828 1.00 0.43 C ATOM 450 CG TYR A 79 9.877 -1.409 -3.973 1.00 0.54 C ATOM 451 CD1 TYR A 79 10.685 -2.520 -4.204 1.00 0.69 C ATOM 452 CD2 TYR A 79 10.489 -0.164 -3.892 1.00 0.75 C ATOM 453 CE1 TYR A 79 12.053 -2.393 -4.346 1.00 0.80 C ATOM 454 CE2 TYR A 79 11.858 -0.028 -4.035 1.00 0.89 C ATOM 455 CZ TYR A 79 12.635 -1.144 -4.261 1.00 0.83 C ATOM 456 OH TYR A 79 13.998 -1.013 -4.407 1.00 1.00 O ATOM 0 H TYR A 79 7.896 -1.722 -6.416 1.00 0.36 H new ATOM 0 HA TYR A 79 8.227 -3.660 -4.197 1.00 0.35 H new ATOM 0 HB2 TYR A 79 7.896 -0.634 -4.185 1.00 0.43 H new ATOM 0 HB3 TYR A 79 8.126 -1.644 -2.770 1.00 0.43 H new ATOM 0 HD1 TYR A 79 10.233 -3.499 -4.273 1.00 0.69 H new ATOM 0 HD2 TYR A 79 9.885 0.713 -3.714 1.00 0.75 H new ATOM 0 HE1 TYR A 79 12.664 -3.266 -4.523 1.00 0.80 H new ATOM 0 HE2 TYR A 79 12.316 0.948 -3.970 1.00 0.89 H new ATOM 0 HH TYR A 79 14.247 -0.069 -4.321 1.00 1.00 H new ATOM 466 N LYS A 80 5.817 -3.513 -3.359 1.00 0.23 N ATOM 467 CA LYS A 80 4.384 -3.575 -3.079 1.00 0.21 C ATOM 468 C LYS A 80 4.108 -3.168 -1.633 1.00 0.19 C ATOM 469 O LYS A 80 4.793 -3.616 -0.717 1.00 0.20 O ATOM 470 CB LYS A 80 3.808 -4.977 -3.351 1.00 0.25 C ATOM 471 CG LYS A 80 4.143 -5.543 -4.728 1.00 0.29 C ATOM 472 CD LYS A 80 3.759 -4.595 -5.860 1.00 0.30 C ATOM 473 CE LYS A 80 2.392 -4.893 -6.452 1.00 0.48 C ATOM 474 NZ LYS A 80 2.202 -6.342 -6.759 1.00 0.80 N ATOM 0 H LYS A 80 6.403 -4.047 -2.717 1.00 0.23 H new ATOM 0 HA LYS A 80 3.889 -2.875 -3.752 1.00 0.21 H new ATOM 0 HB2 LYS A 80 4.180 -5.663 -2.590 1.00 0.25 H new ATOM 0 HB3 LYS A 80 2.724 -4.938 -3.242 1.00 0.25 H new ATOM 0 HG2 LYS A 80 5.211 -5.752 -4.781 1.00 0.29 H new ATOM 0 HG3 LYS A 80 3.625 -6.493 -4.863 1.00 0.29 H new ATOM 0 HD2 LYS A 80 3.771 -3.571 -5.487 1.00 0.30 H new ATOM 0 HD3 LYS A 80 4.510 -4.657 -6.647 1.00 0.30 H new ATOM 0 HE2 LYS A 80 1.620 -4.569 -5.754 1.00 0.48 H new ATOM 0 HE3 LYS A 80 2.261 -4.312 -7.365 1.00 0.48 H new ATOM 0 HZ1 LYS A 80 1.490 -6.447 -7.510 1.00 0.80 H new ATOM 0 HZ2 LYS A 80 3.104 -6.751 -7.077 1.00 0.80 H new ATOM 0 HZ3 LYS A 80 1.879 -6.839 -5.904 1.00 0.80 H new ATOM 488 N LEU A 81 3.100 -2.325 -1.448 1.00 0.20 N ATOM 489 CA LEU A 81 2.745 -1.784 -0.140 1.00 0.18 C ATOM 490 C LEU A 81 1.430 -2.385 0.345 1.00 0.19 C ATOM 491 O LEU A 81 0.362 -1.833 0.089 1.00 0.20 O ATOM 492 CB LEU A 81 2.569 -0.268 -0.243 1.00 0.19 C ATOM 493 CG LEU A 81 2.879 0.549 1.014 1.00 0.19 C ATOM 494 CD1 LEU A 81 1.985 1.763 1.068 1.00 0.23 C ATOM 495 CD2 LEU A 81 2.717 -0.273 2.282 1.00 0.20 C ATOM 0 H LEU A 81 2.502 -1.995 -2.205 1.00 0.20 H new ATOM 0 HA LEU A 81 3.542 -2.030 0.561 1.00 0.18 H new ATOM 0 HB2 LEU A 81 3.207 0.094 -1.050 1.00 0.19 H new ATOM 0 HB3 LEU A 81 1.539 -0.064 -0.535 1.00 0.19 H new ATOM 0 HG LEU A 81 3.922 0.861 0.957 1.00 0.19 H new ATOM 0 HD11 LEU A 81 2.210 2.341 1.964 1.00 0.23 H new ATOM 0 HD12 LEU A 81 2.156 2.380 0.186 1.00 0.23 H new ATOM 0 HD13 LEU A 81 0.942 1.446 1.093 1.00 0.23 H new ATOM 0 HD21 LEU A 81 2.947 0.346 3.149 1.00 0.20 H new ATOM 0 HD22 LEU A 81 1.690 -0.632 2.354 1.00 0.20 H new ATOM 0 HD23 LEU A 81 3.397 -1.124 2.253 1.00 0.20 H new ATOM 507 N PRO A 82 1.490 -3.512 1.048 1.00 0.22 N ATOM 508 CA PRO A 82 0.304 -4.186 1.580 1.00 0.23 C ATOM 509 C PRO A 82 -0.455 -3.349 2.596 1.00 0.20 C ATOM 510 O PRO A 82 0.020 -3.120 3.706 1.00 0.19 O ATOM 511 CB PRO A 82 0.874 -5.428 2.254 1.00 0.28 C ATOM 512 CG PRO A 82 2.199 -5.619 1.623 1.00 0.31 C ATOM 513 CD PRO A 82 2.713 -4.240 1.364 1.00 0.27 C ATOM 0 HA PRO A 82 -0.419 -4.393 0.791 1.00 0.23 H new ATOM 0 HB2 PRO A 82 0.964 -5.289 3.331 1.00 0.28 H new ATOM 0 HB3 PRO A 82 0.231 -6.294 2.097 1.00 0.28 H new ATOM 0 HG2 PRO A 82 2.871 -6.173 2.279 1.00 0.31 H new ATOM 0 HG3 PRO A 82 2.116 -6.188 0.697 1.00 0.31 H new ATOM 0 HD2 PRO A 82 3.221 -3.824 2.234 1.00 0.27 H new ATOM 0 HD3 PRO A 82 3.425 -4.219 0.539 1.00 0.27 H new ATOM 521 N TYR A 83 -1.647 -2.913 2.216 1.00 0.22 N ATOM 522 CA TYR A 83 -2.483 -2.122 3.100 1.00 0.21 C ATOM 523 C TYR A 83 -3.753 -2.874 3.467 1.00 0.21 C ATOM 524 O TYR A 83 -4.485 -3.340 2.596 1.00 0.22 O ATOM 525 CB TYR A 83 -2.846 -0.780 2.441 1.00 0.27 C ATOM 526 CG TYR A 83 -3.806 0.063 3.257 1.00 0.41 C ATOM 527 CD1 TYR A 83 -3.556 0.333 4.596 1.00 0.50 C ATOM 528 CD2 TYR A 83 -4.959 0.594 2.688 1.00 0.62 C ATOM 529 CE1 TYR A 83 -4.423 1.100 5.345 1.00 0.73 C ATOM 530 CE2 TYR A 83 -5.833 1.365 3.434 1.00 0.82 C ATOM 531 CZ TYR A 83 -5.559 1.614 4.763 1.00 0.86 C ATOM 532 OH TYR A 83 -6.417 2.384 5.515 1.00 1.10 O ATOM 0 H TYR A 83 -2.056 -3.095 1.299 1.00 0.22 H new ATOM 0 HA TYR A 83 -1.916 -1.931 4.011 1.00 0.21 H new ATOM 0 HB2 TYR A 83 -1.932 -0.211 2.270 1.00 0.27 H new ATOM 0 HB3 TYR A 83 -3.288 -0.974 1.464 1.00 0.27 H new ATOM 0 HD1 TYR A 83 -2.666 -0.065 5.059 1.00 0.50 H new ATOM 0 HD2 TYR A 83 -5.175 0.401 1.648 1.00 0.62 H new ATOM 0 HE1 TYR A 83 -4.211 1.297 6.386 1.00 0.73 H new ATOM 0 HE2 TYR A 83 -6.725 1.770 2.978 1.00 0.82 H new ATOM 0 HH TYR A 83 -6.077 2.453 6.431 1.00 1.10 H new ATOM 542 N ASN A 84 -3.990 -3.016 4.765 1.00 0.27 N ATOM 543 CA ASN A 84 -5.282 -3.463 5.260 1.00 0.31 C ATOM 544 C ASN A 84 -6.090 -2.234 5.612 1.00 0.32 C ATOM 545 O ASN A 84 -5.596 -1.339 6.286 1.00 0.39 O ATOM 546 CB ASN A 84 -5.136 -4.374 6.481 1.00 0.44 C ATOM 547 CG ASN A 84 -6.460 -4.636 7.183 1.00 1.14 C ATOM 548 OD1 ASN A 84 -6.809 -3.953 8.146 1.00 1.98 O ATOM 549 ND2 ASN A 84 -7.216 -5.607 6.699 1.00 2.00 N ATOM 0 H ASN A 84 -3.302 -2.827 5.494 1.00 0.27 H new ATOM 0 HA ASN A 84 -5.784 -4.049 4.490 1.00 0.31 H new ATOM 0 HB2 ASN A 84 -4.701 -5.324 6.170 1.00 0.44 H new ATOM 0 HB3 ASN A 84 -4.440 -3.920 7.186 1.00 0.44 H new ATOM 0 HD21 ASN A 84 -8.120 -5.810 7.125 1.00 2.00 H new ATOM 0 HD22 ASN A 84 -6.895 -6.153 5.899 1.00 2.00 H new ATOM 556 N THR A 85 -7.329 -2.206 5.178 1.00 0.32 N ATOM 557 CA THR A 85 -8.110 -0.976 5.166 1.00 0.34 C ATOM 558 C THR A 85 -8.440 -0.444 6.564 1.00 0.35 C ATOM 559 O THR A 85 -8.965 0.659 6.708 1.00 0.40 O ATOM 560 CB THR A 85 -9.400 -1.169 4.348 1.00 0.37 C ATOM 561 OG1 THR A 85 -10.062 -2.380 4.740 1.00 0.38 O ATOM 562 CG2 THR A 85 -9.071 -1.230 2.869 1.00 0.41 C ATOM 0 H THR A 85 -7.826 -3.023 4.825 1.00 0.32 H new ATOM 0 HA THR A 85 -7.482 -0.221 4.693 1.00 0.34 H new ATOM 0 HB THR A 85 -10.061 -0.324 4.538 1.00 0.37 H new ATOM 0 HG1 THR A 85 -9.583 -3.150 4.368 1.00 0.38 H new ATOM 0 HG21 THR A 85 -9.989 -1.367 2.297 1.00 0.41 H new ATOM 0 HG22 THR A 85 -8.589 -0.301 2.565 1.00 0.41 H new ATOM 0 HG23 THR A 85 -8.398 -2.066 2.680 1.00 0.41 H new ATOM 570 N SER A 86 -8.116 -1.216 7.585 1.00 0.33 N ATOM 571 CA SER A 86 -8.370 -0.810 8.962 1.00 0.37 C ATOM 572 C SER A 86 -7.082 -0.356 9.661 1.00 0.31 C ATOM 573 O SER A 86 -7.047 -0.211 10.884 1.00 0.33 O ATOM 574 CB SER A 86 -9.015 -1.966 9.725 1.00 0.49 C ATOM 575 OG SER A 86 -10.186 -2.421 9.061 1.00 1.30 O ATOM 0 H SER A 86 -7.675 -2.131 7.490 1.00 0.33 H new ATOM 0 HA SER A 86 -9.051 0.041 8.950 1.00 0.37 H new ATOM 0 HB2 SER A 86 -8.304 -2.786 9.820 1.00 0.49 H new ATOM 0 HB3 SER A 86 -9.267 -1.644 10.736 1.00 0.49 H new ATOM 0 HG SER A 86 -10.581 -3.162 9.566 1.00 1.30 H new ATOM 581 N ASP A 87 -6.022 -0.147 8.887 1.00 0.29 N ATOM 582 CA ASP A 87 -4.727 0.247 9.446 1.00 0.28 C ATOM 583 C ASP A 87 -4.412 1.704 9.099 1.00 0.20 C ATOM 584 O ASP A 87 -4.929 2.243 8.117 1.00 0.22 O ATOM 585 CB ASP A 87 -3.622 -0.674 8.923 1.00 0.38 C ATOM 586 CG ASP A 87 -2.447 -0.777 9.879 1.00 0.93 C ATOM 587 OD1 ASP A 87 -2.513 -1.564 10.848 1.00 1.37 O ATOM 588 OD2 ASP A 87 -1.444 -0.063 9.663 1.00 1.55 O ATOM 0 H ASP A 87 -6.031 -0.243 7.872 1.00 0.29 H new ATOM 0 HA ASP A 87 -4.777 0.154 10.531 1.00 0.28 H new ATOM 0 HB2 ASP A 87 -4.034 -1.668 8.751 1.00 0.38 H new ATOM 0 HB3 ASP A 87 -3.271 -0.304 7.960 1.00 0.38 H new ATOM 593 N ASP A 88 -3.581 2.341 9.920 1.00 0.19 N ATOM 594 CA ASP A 88 -3.235 3.752 9.727 1.00 0.14 C ATOM 595 C ASP A 88 -2.183 3.921 8.643 1.00 0.12 C ATOM 596 O ASP A 88 -1.283 3.091 8.524 1.00 0.15 O ATOM 597 CB ASP A 88 -2.693 4.380 11.014 1.00 0.18 C ATOM 598 CG ASP A 88 -3.702 4.423 12.142 1.00 0.24 C ATOM 599 OD1 ASP A 88 -3.799 3.436 12.901 1.00 0.39 O ATOM 600 OD2 ASP A 88 -4.386 5.460 12.291 1.00 0.41 O ATOM 0 H ASP A 88 -3.133 1.905 10.726 1.00 0.19 H new ATOM 0 HA ASP A 88 -4.156 4.254 9.432 1.00 0.14 H new ATOM 0 HB2 ASP A 88 -1.819 3.818 11.342 1.00 0.18 H new ATOM 0 HB3 ASP A 88 -2.358 5.395 10.799 1.00 0.18 H new ATOM 605 N PRO A 89 -2.254 5.012 7.864 1.00 0.11 N ATOM 606 CA PRO A 89 -1.318 5.266 6.766 1.00 0.11 C ATOM 607 C PRO A 89 0.131 5.214 7.215 1.00 0.10 C ATOM 608 O PRO A 89 0.919 4.407 6.718 1.00 0.11 O ATOM 609 CB PRO A 89 -1.667 6.687 6.300 1.00 0.13 C ATOM 610 CG PRO A 89 -2.545 7.253 7.365 1.00 0.15 C ATOM 611 CD PRO A 89 -3.250 6.085 7.985 1.00 0.13 C ATOM 0 HA PRO A 89 -1.411 4.511 5.985 1.00 0.11 H new ATOM 0 HB2 PRO A 89 -0.768 7.290 6.172 1.00 0.13 H new ATOM 0 HB3 PRO A 89 -2.179 6.670 5.338 1.00 0.13 H new ATOM 0 HG2 PRO A 89 -1.958 7.793 8.108 1.00 0.15 H new ATOM 0 HG3 PRO A 89 -3.259 7.962 6.946 1.00 0.15 H new ATOM 0 HD2 PRO A 89 -3.516 6.277 9.025 1.00 0.13 H new ATOM 0 HD3 PRO A 89 -4.174 5.843 7.459 1.00 0.13 H new ATOM 619 N TRP A 90 0.465 6.066 8.174 1.00 0.12 N ATOM 620 CA TRP A 90 1.834 6.200 8.643 1.00 0.14 C ATOM 621 C TRP A 90 2.349 4.888 9.224 1.00 0.13 C ATOM 622 O TRP A 90 3.542 4.632 9.201 1.00 0.14 O ATOM 623 CB TRP A 90 1.943 7.331 9.675 1.00 0.19 C ATOM 624 CG TRP A 90 1.133 7.110 10.921 1.00 0.95 C ATOM 625 CD1 TRP A 90 -0.229 7.062 11.020 1.00 1.84 C ATOM 626 CD2 TRP A 90 1.637 6.929 12.251 1.00 1.69 C ATOM 627 NE1 TRP A 90 -0.600 6.851 12.325 1.00 2.31 N ATOM 628 CE2 TRP A 90 0.527 6.770 13.100 1.00 2.19 C ATOM 629 CE3 TRP A 90 2.919 6.887 12.807 1.00 2.57 C ATOM 630 CZ2 TRP A 90 0.659 6.565 14.471 1.00 2.98 C ATOM 631 CZ3 TRP A 90 3.049 6.683 14.170 1.00 3.51 C ATOM 632 CH2 TRP A 90 1.924 6.528 14.986 1.00 3.56 C ATOM 0 H TRP A 90 -0.201 6.679 8.645 1.00 0.12 H new ATOM 0 HA TRP A 90 2.459 6.453 7.787 1.00 0.14 H new ATOM 0 HB2 TRP A 90 2.990 7.454 9.953 1.00 0.19 H new ATOM 0 HB3 TRP A 90 1.625 8.264 9.210 1.00 0.19 H new ATOM 0 HD1 TRP A 90 -0.914 7.174 10.192 1.00 1.84 H new ATOM 0 HE1 TRP A 90 -1.559 6.768 12.663 1.00 2.31 H new ATOM 0 HE3 TRP A 90 3.792 7.012 12.184 1.00 2.57 H new ATOM 0 HZ2 TRP A 90 -0.207 6.440 15.104 1.00 2.98 H new ATOM 0 HZ3 TRP A 90 4.035 6.643 14.610 1.00 3.51 H new ATOM 0 HH2 TRP A 90 2.058 6.376 16.047 1.00 3.56 H new ATOM 643 N LEU A 91 1.448 4.054 9.725 1.00 0.13 N ATOM 644 CA LEU A 91 1.838 2.760 10.263 1.00 0.15 C ATOM 645 C LEU A 91 2.075 1.757 9.142 1.00 0.15 C ATOM 646 O LEU A 91 3.156 1.187 9.036 1.00 0.18 O ATOM 647 CB LEU A 91 0.769 2.227 11.216 1.00 0.17 C ATOM 648 CG LEU A 91 0.546 3.060 12.475 1.00 0.21 C ATOM 649 CD1 LEU A 91 -0.502 2.415 13.369 1.00 0.24 C ATOM 650 CD2 LEU A 91 1.852 3.227 13.223 1.00 0.33 C ATOM 0 H LEU A 91 0.448 4.249 9.770 1.00 0.13 H new ATOM 0 HA LEU A 91 2.768 2.895 10.815 1.00 0.15 H new ATOM 0 HB2 LEU A 91 -0.175 2.156 10.675 1.00 0.17 H new ATOM 0 HB3 LEU A 91 1.043 1.215 11.513 1.00 0.17 H new ATOM 0 HG LEU A 91 0.180 4.044 12.181 1.00 0.21 H new ATOM 0 HD11 LEU A 91 -0.645 3.025 14.261 1.00 0.24 H new ATOM 0 HD12 LEU A 91 -1.445 2.337 12.827 1.00 0.24 H new ATOM 0 HD13 LEU A 91 -0.168 1.419 13.661 1.00 0.24 H new ATOM 0 HD21 LEU A 91 1.684 3.823 14.120 1.00 0.33 H new ATOM 0 HD22 LEU A 91 2.238 2.247 13.505 1.00 0.33 H new ATOM 0 HD23 LEU A 91 2.576 3.731 12.583 1.00 0.33 H new ATOM 662 N THR A 92 1.064 1.566 8.298 1.00 0.14 N ATOM 663 CA THR A 92 1.152 0.638 7.176 1.00 0.16 C ATOM 664 C THR A 92 2.370 0.944 6.305 1.00 0.14 C ATOM 665 O THR A 92 3.108 0.042 5.898 1.00 0.15 O ATOM 666 CB THR A 92 -0.121 0.717 6.311 1.00 0.17 C ATOM 667 OG1 THR A 92 -1.279 0.423 7.099 1.00 0.25 O ATOM 668 CG2 THR A 92 -0.047 -0.240 5.136 1.00 0.20 C ATOM 0 H THR A 92 0.167 2.047 8.372 1.00 0.14 H new ATOM 0 HA THR A 92 1.253 -0.367 7.586 1.00 0.16 H new ATOM 0 HB THR A 92 -0.196 1.733 5.925 1.00 0.17 H new ATOM 0 HG1 THR A 92 -1.001 0.086 7.976 1.00 0.25 H new ATOM 0 HG21 THR A 92 -0.959 -0.161 4.545 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.812 0.013 4.514 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.060 -1.260 5.504 1.00 0.20 H new ATOM 676 N ALA A 93 2.587 2.223 6.049 1.00 0.12 N ATOM 677 CA ALA A 93 3.682 2.658 5.214 1.00 0.12 C ATOM 678 C ALA A 93 5.011 2.442 5.914 1.00 0.11 C ATOM 679 O ALA A 93 5.989 2.019 5.301 1.00 0.11 O ATOM 680 CB ALA A 93 3.493 4.116 4.868 1.00 0.12 C ATOM 0 H ALA A 93 2.010 2.981 6.414 1.00 0.12 H new ATOM 0 HA ALA A 93 3.691 2.068 4.298 1.00 0.12 H new ATOM 0 HB1 ALA A 93 4.317 4.450 4.238 1.00 0.12 H new ATOM 0 HB2 ALA A 93 2.552 4.244 4.333 1.00 0.12 H new ATOM 0 HB3 ALA A 93 3.474 4.708 5.783 1.00 0.12 H new ATOM 686 N TYR A 94 5.029 2.723 7.208 1.00 0.11 N ATOM 687 CA TYR A 94 6.225 2.561 8.019 1.00 0.12 C ATOM 688 C TYR A 94 6.615 1.085 8.069 1.00 0.15 C ATOM 689 O TYR A 94 7.792 0.738 7.961 1.00 0.15 O ATOM 690 CB TYR A 94 5.963 3.081 9.428 1.00 0.15 C ATOM 691 CG TYR A 94 7.213 3.392 10.214 1.00 0.19 C ATOM 692 CD1 TYR A 94 7.966 2.376 10.777 1.00 0.23 C ATOM 693 CD2 TYR A 94 7.635 4.701 10.395 1.00 0.20 C ATOM 694 CE1 TYR A 94 9.109 2.652 11.502 1.00 0.28 C ATOM 695 CE2 TYR A 94 8.777 4.990 11.117 1.00 0.26 C ATOM 696 CZ TYR A 94 9.513 3.959 11.670 1.00 0.30 C ATOM 697 OH TYR A 94 10.655 4.236 12.390 1.00 0.36 O ATOM 0 H TYR A 94 4.219 3.068 7.723 1.00 0.11 H new ATOM 0 HA TYR A 94 7.043 3.130 7.577 1.00 0.12 H new ATOM 0 HB2 TYR A 94 5.354 3.983 9.363 1.00 0.15 H new ATOM 0 HB3 TYR A 94 5.379 2.340 9.974 1.00 0.15 H new ATOM 0 HD1 TYR A 94 7.655 1.350 10.647 1.00 0.23 H new ATOM 0 HD2 TYR A 94 7.061 5.508 9.964 1.00 0.20 H new ATOM 0 HE1 TYR A 94 9.684 1.847 11.935 1.00 0.28 H new ATOM 0 HE2 TYR A 94 9.092 6.015 11.248 1.00 0.26 H new ATOM 0 HH TYR A 94 10.800 5.205 12.413 1.00 0.36 H new ATOM 707 N ASN A 95 5.609 0.228 8.226 1.00 0.17 N ATOM 708 CA ASN A 95 5.809 -1.221 8.219 1.00 0.21 C ATOM 709 C ASN A 95 6.514 -1.663 6.950 1.00 0.20 C ATOM 710 O ASN A 95 7.536 -2.335 7.012 1.00 0.22 O ATOM 711 CB ASN A 95 4.472 -1.963 8.350 1.00 0.27 C ATOM 712 CG ASN A 95 4.011 -2.093 9.790 1.00 1.06 C ATOM 713 OD1 ASN A 95 4.317 -3.224 10.411 1.00 1.64 O flip ATOM 714 ND2 ASN A 95 3.366 -1.201 10.336 1.00 1.91 N flip ATOM 0 H ASN A 95 4.639 0.514 8.361 1.00 0.17 H new ATOM 0 HA ASN A 95 6.434 -1.469 9.077 1.00 0.21 H new ATOM 0 HB2 ASN A 95 3.711 -1.435 7.776 1.00 0.27 H new ATOM 0 HB3 ASN A 95 4.569 -2.957 7.913 1.00 0.27 H new ATOM 0 HD21 ASN A 95 3.149 -0.344 9.827 1.00 1.91 H new ATOM 0 HD22 ASN A 95 3.048 -1.318 11.298 1.00 1.91 H new ATOM 721 N PHE A 96 5.977 -1.269 5.800 1.00 0.18 N ATOM 722 CA PHE A 96 6.584 -1.616 4.521 1.00 0.18 C ATOM 723 C PHE A 96 7.952 -0.963 4.370 1.00 0.15 C ATOM 724 O PHE A 96 8.879 -1.564 3.825 1.00 0.17 O ATOM 725 CB PHE A 96 5.668 -1.222 3.358 1.00 0.18 C ATOM 726 CG PHE A 96 6.333 -1.288 2.010 1.00 0.20 C ATOM 727 CD1 PHE A 96 6.786 -2.496 1.502 1.00 0.24 C ATOM 728 CD2 PHE A 96 6.514 -0.137 1.256 1.00 0.20 C ATOM 729 CE1 PHE A 96 7.404 -2.553 0.268 1.00 0.29 C ATOM 730 CE2 PHE A 96 7.128 -0.193 0.020 1.00 0.25 C ATOM 731 CZ PHE A 96 7.574 -1.401 -0.473 1.00 0.29 C ATOM 0 H PHE A 96 5.126 -0.711 5.728 1.00 0.18 H new ATOM 0 HA PHE A 96 6.720 -2.697 4.499 1.00 0.18 H new ATOM 0 HB2 PHE A 96 4.797 -1.878 3.355 1.00 0.18 H new ATOM 0 HB3 PHE A 96 5.303 -0.208 3.523 1.00 0.18 H new ATOM 0 HD1 PHE A 96 6.654 -3.401 2.077 1.00 0.24 H new ATOM 0 HD2 PHE A 96 6.171 0.813 1.640 1.00 0.20 H new ATOM 0 HE1 PHE A 96 7.754 -3.499 -0.117 1.00 0.29 H new ATOM 0 HE2 PHE A 96 7.259 0.709 -0.560 1.00 0.25 H new ATOM 0 HZ PHE A 96 8.056 -1.446 -1.438 1.00 0.29 H new ATOM 741 N LEU A 97 8.080 0.258 4.866 1.00 0.12 N ATOM 742 CA LEU A 97 9.339 0.981 4.789 1.00 0.12 C ATOM 743 C LEU A 97 10.432 0.253 5.563 1.00 0.14 C ATOM 744 O LEU A 97 11.582 0.233 5.148 1.00 0.20 O ATOM 745 CB LEU A 97 9.171 2.404 5.311 1.00 0.10 C ATOM 746 CG LEU A 97 9.643 3.492 4.358 1.00 0.10 C ATOM 747 CD1 LEU A 97 8.795 3.476 3.101 1.00 0.13 C ATOM 748 CD2 LEU A 97 9.574 4.851 5.026 1.00 0.10 C ATOM 0 H LEU A 97 7.327 0.769 5.326 1.00 0.12 H new ATOM 0 HA LEU A 97 9.639 1.029 3.742 1.00 0.12 H new ATOM 0 HB2 LEU A 97 8.118 2.571 5.538 1.00 0.10 H new ATOM 0 HB3 LEU A 97 9.718 2.499 6.249 1.00 0.10 H new ATOM 0 HG LEU A 97 10.681 3.298 4.088 1.00 0.10 H new ATOM 0 HD11 LEU A 97 9.137 4.257 2.422 1.00 0.13 H new ATOM 0 HD12 LEU A 97 8.886 2.505 2.613 1.00 0.13 H new ATOM 0 HD13 LEU A 97 7.752 3.654 3.363 1.00 0.13 H new ATOM 0 HD21 LEU A 97 9.915 5.617 4.329 1.00 0.10 H new ATOM 0 HD22 LEU A 97 8.545 5.060 5.320 1.00 0.10 H new ATOM 0 HD23 LEU A 97 10.212 4.855 5.910 1.00 0.10 H new ATOM 760 N GLN A 98 10.070 -0.345 6.687 1.00 0.19 N ATOM 761 CA GLN A 98 11.010 -1.155 7.457 1.00 0.26 C ATOM 762 C GLN A 98 11.153 -2.541 6.832 1.00 0.27 C ATOM 763 O GLN A 98 12.240 -3.119 6.803 1.00 0.33 O ATOM 764 CB GLN A 98 10.543 -1.269 8.906 1.00 0.34 C ATOM 765 CG GLN A 98 10.500 0.067 9.626 1.00 1.08 C ATOM 766 CD GLN A 98 11.879 0.645 9.883 1.00 1.95 C ATOM 767 OE1 GLN A 98 12.470 0.420 10.938 1.00 2.43 O ATOM 768 NE2 GLN A 98 12.401 1.389 8.922 1.00 2.80 N ATOM 0 H GLN A 98 9.134 -0.287 7.089 1.00 0.19 H new ATOM 0 HA GLN A 98 11.985 -0.668 7.443 1.00 0.26 H new ATOM 0 HB2 GLN A 98 9.550 -1.718 8.927 1.00 0.34 H new ATOM 0 HB3 GLN A 98 11.209 -1.943 9.444 1.00 0.34 H new ATOM 0 HG2 GLN A 98 9.920 0.775 9.034 1.00 1.08 H new ATOM 0 HG3 GLN A 98 9.980 -0.055 10.576 1.00 1.08 H new ATOM 0 HE21 GLN A 98 11.878 1.551 8.062 1.00 2.80 H new ATOM 0 HE22 GLN A 98 13.327 1.800 9.041 1.00 2.80 H new ATOM 777 N LYS A 99 10.038 -3.045 6.317 1.00 0.27 N ATOM 778 CA LYS A 99 9.975 -4.356 5.679 1.00 0.31 C ATOM 779 C LYS A 99 10.917 -4.430 4.481 1.00 0.30 C ATOM 780 O LYS A 99 11.634 -5.416 4.303 1.00 0.35 O ATOM 781 CB LYS A 99 8.521 -4.622 5.248 1.00 0.34 C ATOM 782 CG LYS A 99 8.265 -5.956 4.544 1.00 0.42 C ATOM 783 CD LYS A 99 8.544 -5.869 3.046 1.00 0.47 C ATOM 784 CE LYS A 99 7.907 -7.017 2.273 1.00 0.79 C ATOM 785 NZ LYS A 99 8.550 -8.328 2.554 1.00 1.30 N ATOM 0 H LYS A 99 9.145 -2.552 6.330 1.00 0.27 H new ATOM 0 HA LYS A 99 10.295 -5.120 6.387 1.00 0.31 H new ATOM 0 HB2 LYS A 99 7.886 -4.572 6.132 1.00 0.34 H new ATOM 0 HB3 LYS A 99 8.206 -3.817 4.584 1.00 0.34 H new ATOM 0 HG2 LYS A 99 8.895 -6.727 4.987 1.00 0.42 H new ATOM 0 HG3 LYS A 99 7.230 -6.259 4.704 1.00 0.42 H new ATOM 0 HD2 LYS A 99 8.166 -4.921 2.662 1.00 0.47 H new ATOM 0 HD3 LYS A 99 9.621 -5.874 2.878 1.00 0.47 H new ATOM 0 HE2 LYS A 99 6.848 -7.075 2.525 1.00 0.79 H new ATOM 0 HE3 LYS A 99 7.969 -6.808 1.205 1.00 0.79 H new ATOM 0 HZ1 LYS A 99 8.077 -9.072 2.002 1.00 1.30 H new ATOM 0 HZ2 LYS A 99 9.555 -8.286 2.289 1.00 1.30 H new ATOM 0 HZ3 LYS A 99 8.468 -8.544 3.568 1.00 1.30 H new ATOM 799 N ASN A 100 10.926 -3.379 3.677 1.00 0.26 N ATOM 800 CA ASN A 100 11.727 -3.366 2.463 1.00 0.29 C ATOM 801 C ASN A 100 13.010 -2.576 2.671 1.00 0.28 C ATOM 802 O ASN A 100 13.884 -2.540 1.804 1.00 0.36 O ATOM 803 CB ASN A 100 10.934 -2.748 1.312 1.00 0.33 C ATOM 804 CG ASN A 100 11.472 -3.159 -0.046 1.00 0.52 C ATOM 805 OD1 ASN A 100 12.015 -4.249 -0.210 1.00 1.13 O ATOM 806 ND2 ASN A 100 11.331 -2.289 -1.029 1.00 1.10 N ATOM 0 H ASN A 100 10.390 -2.527 3.842 1.00 0.26 H new ATOM 0 HA ASN A 100 11.982 -4.397 2.217 1.00 0.29 H new ATOM 0 HB2 ASN A 100 9.889 -3.048 1.392 1.00 0.33 H new ATOM 0 HB3 ASN A 100 10.961 -1.662 1.397 1.00 0.33 H new ATOM 0 HD21 ASN A 100 11.678 -2.513 -1.962 1.00 1.10 H new ATOM 0 HD22 ASN A 100 10.875 -1.393 -0.856 1.00 1.10 H new ATOM 813 N ASP A 101 13.104 -1.951 3.844 1.00 0.25 N ATOM 814 CA ASP A 101 14.224 -1.070 4.190 1.00 0.27 C ATOM 815 C ASP A 101 14.302 0.119 3.237 1.00 0.24 C ATOM 816 O ASP A 101 15.279 0.286 2.507 1.00 0.28 O ATOM 817 CB ASP A 101 15.556 -1.828 4.201 1.00 0.38 C ATOM 818 CG ASP A 101 15.706 -2.737 5.404 1.00 1.09 C ATOM 819 OD1 ASP A 101 15.817 -2.225 6.538 1.00 1.17 O ATOM 820 OD2 ASP A 101 15.678 -3.972 5.224 1.00 2.01 O ATOM 0 H ASP A 101 12.407 -2.040 4.583 1.00 0.25 H new ATOM 0 HA ASP A 101 14.039 -0.697 5.197 1.00 0.27 H new ATOM 0 HB2 ASP A 101 15.638 -2.422 3.291 1.00 0.38 H new ATOM 0 HB3 ASP A 101 16.377 -1.111 4.189 1.00 0.38 H new ATOM 825 N LEU A 102 13.264 0.943 3.249 1.00 0.20 N ATOM 826 CA LEU A 102 13.214 2.133 2.415 1.00 0.20 C ATOM 827 C LEU A 102 13.596 3.366 3.215 1.00 0.19 C ATOM 828 O LEU A 102 13.759 3.312 4.433 1.00 0.22 O ATOM 829 CB LEU A 102 11.808 2.348 1.838 1.00 0.19 C ATOM 830 CG LEU A 102 11.304 1.314 0.832 1.00 0.24 C ATOM 831 CD1 LEU A 102 12.432 0.464 0.283 1.00 0.26 C ATOM 832 CD2 LEU A 102 10.222 0.462 1.462 1.00 0.23 C ATOM 0 H LEU A 102 12.439 0.806 3.833 1.00 0.20 H new ATOM 0 HA LEU A 102 13.922 1.983 1.600 1.00 0.20 H new ATOM 0 HB2 LEU A 102 11.103 2.384 2.669 1.00 0.19 H new ATOM 0 HB3 LEU A 102 11.785 3.326 1.358 1.00 0.19 H new ATOM 0 HG LEU A 102 10.875 1.847 -0.017 1.00 0.24 H new ATOM 0 HD11 LEU A 102 12.031 -0.258 -0.428 1.00 0.26 H new ATOM 0 HD12 LEU A 102 13.158 1.103 -0.219 1.00 0.26 H new ATOM 0 HD13 LEU A 102 12.920 -0.066 1.101 1.00 0.26 H new ATOM 0 HD21 LEU A 102 9.869 -0.272 0.738 1.00 0.23 H new ATOM 0 HD22 LEU A 102 10.626 -0.053 2.333 1.00 0.23 H new ATOM 0 HD23 LEU A 102 9.391 1.097 1.769 1.00 0.23 H new ATOM 844 N ASN A 103 13.730 4.475 2.509 1.00 0.20 N ATOM 845 CA ASN A 103 14.024 5.756 3.121 1.00 0.21 C ATOM 846 C ASN A 103 12.744 6.350 3.704 1.00 0.18 C ATOM 847 O ASN A 103 11.680 6.261 3.091 1.00 0.16 O ATOM 848 CB ASN A 103 14.589 6.703 2.063 1.00 0.26 C ATOM 849 CG ASN A 103 15.205 7.957 2.653 1.00 0.35 C ATOM 850 OD1 ASN A 103 14.515 8.946 2.888 1.00 0.87 O ATOM 851 ND2 ASN A 103 16.508 7.933 2.887 1.00 0.88 N ATOM 0 H ASN A 103 13.638 4.511 1.494 1.00 0.20 H new ATOM 0 HA ASN A 103 14.755 5.620 3.918 1.00 0.21 H new ATOM 0 HB2 ASN A 103 15.343 6.176 1.478 1.00 0.26 H new ATOM 0 HB3 ASN A 103 13.792 6.986 1.375 1.00 0.26 H new ATOM 0 HD21 ASN A 103 16.972 8.754 3.275 1.00 0.88 H new ATOM 0 HD22 ASN A 103 17.048 7.093 2.679 1.00 0.88 H new ATOM 858 N PRO A 104 12.840 6.973 4.891 1.00 0.21 N ATOM 859 CA PRO A 104 11.689 7.571 5.592 1.00 0.21 C ATOM 860 C PRO A 104 10.984 8.641 4.764 1.00 0.22 C ATOM 861 O PRO A 104 9.848 9.008 5.055 1.00 0.23 O ATOM 862 CB PRO A 104 12.310 8.182 6.852 1.00 0.28 C ATOM 863 CG PRO A 104 13.590 7.446 7.037 1.00 0.32 C ATOM 864 CD PRO A 104 14.084 7.138 5.654 1.00 0.28 C ATOM 0 HA PRO A 104 10.917 6.830 5.801 1.00 0.21 H new ATOM 0 HB2 PRO A 104 12.482 9.251 6.730 1.00 0.28 H new ATOM 0 HB3 PRO A 104 11.655 8.061 7.715 1.00 0.28 H new ATOM 0 HG2 PRO A 104 14.313 8.050 7.586 1.00 0.32 H new ATOM 0 HG3 PRO A 104 13.437 6.532 7.611 1.00 0.32 H new ATOM 0 HD2 PRO A 104 14.699 7.945 5.255 1.00 0.28 H new ATOM 0 HD3 PRO A 104 14.693 6.234 5.634 1.00 0.28 H new ATOM 872 N MET A 105 11.659 9.124 3.722 1.00 0.24 N ATOM 873 CA MET A 105 11.075 10.091 2.796 1.00 0.29 C ATOM 874 C MET A 105 9.892 9.480 2.057 1.00 0.26 C ATOM 875 O MET A 105 9.004 10.189 1.578 1.00 0.34 O ATOM 876 CB MET A 105 12.122 10.540 1.778 1.00 0.35 C ATOM 877 CG MET A 105 11.627 11.604 0.812 1.00 0.44 C ATOM 878 SD MET A 105 12.829 11.989 -0.479 1.00 0.92 S ATOM 879 CE MET A 105 12.955 10.405 -1.313 1.00 2.08 C ATOM 0 H MET A 105 12.618 8.858 3.498 1.00 0.24 H new ATOM 0 HA MET A 105 10.731 10.949 3.373 1.00 0.29 H new ATOM 0 HB2 MET A 105 12.991 10.924 2.311 1.00 0.35 H new ATOM 0 HB3 MET A 105 12.455 9.673 1.208 1.00 0.35 H new ATOM 0 HG2 MET A 105 10.700 11.266 0.350 1.00 0.44 H new ATOM 0 HG3 MET A 105 11.393 12.512 1.367 1.00 0.44 H new ATOM 0 HE1 MET A 105 13.293 10.559 -2.338 1.00 2.08 H new ATOM 0 HE2 MET A 105 13.669 9.772 -0.786 1.00 2.08 H new ATOM 0 HE3 MET A 105 11.979 9.920 -1.322 1.00 2.08 H new ATOM 889 N PHE A 106 9.869 8.157 1.984 1.00 0.20 N ATOM 890 CA PHE A 106 8.848 7.466 1.222 1.00 0.19 C ATOM 891 C PHE A 106 7.581 7.336 2.043 1.00 0.16 C ATOM 892 O PHE A 106 6.489 7.235 1.491 1.00 0.17 O ATOM 893 CB PHE A 106 9.338 6.080 0.802 1.00 0.19 C ATOM 894 CG PHE A 106 10.396 6.099 -0.266 1.00 0.24 C ATOM 895 CD1 PHE A 106 10.094 6.547 -1.542 1.00 0.31 C ATOM 896 CD2 PHE A 106 11.691 5.672 0.002 1.00 0.24 C ATOM 897 CE1 PHE A 106 11.056 6.567 -2.532 1.00 0.37 C ATOM 898 CE2 PHE A 106 12.657 5.690 -0.988 1.00 0.31 C ATOM 899 CZ PHE A 106 12.338 6.138 -2.255 1.00 0.36 C ATOM 0 H PHE A 106 10.545 7.546 2.443 1.00 0.20 H new ATOM 0 HA PHE A 106 8.635 8.049 0.326 1.00 0.19 H new ATOM 0 HB2 PHE A 106 9.731 5.565 1.678 1.00 0.19 H new ATOM 0 HB3 PHE A 106 8.488 5.499 0.445 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.093 6.885 -1.765 1.00 0.31 H new ATOM 0 HD2 PHE A 106 11.945 5.323 0.992 1.00 0.24 H new ATOM 0 HE1 PHE A 106 10.806 6.918 -3.522 1.00 0.37 H new ATOM 0 HE2 PHE A 106 13.660 5.354 -0.770 1.00 0.31 H new ATOM 0 HZ PHE A 106 13.092 6.153 -3.029 1.00 0.36 H new ATOM 909 N LEU A 107 7.745 7.406 3.363 1.00 0.14 N ATOM 910 CA LEU A 107 6.666 7.156 4.315 1.00 0.12 C ATOM 911 C LEU A 107 5.443 8.026 4.041 1.00 0.13 C ATOM 912 O LEU A 107 4.318 7.531 4.036 1.00 0.14 O ATOM 913 CB LEU A 107 7.196 7.373 5.742 1.00 0.13 C ATOM 914 CG LEU A 107 6.174 7.310 6.877 1.00 0.13 C ATOM 915 CD1 LEU A 107 5.413 6.005 6.828 1.00 0.12 C ATOM 916 CD2 LEU A 107 6.877 7.436 8.213 1.00 0.15 C ATOM 0 H LEU A 107 8.635 7.639 3.804 1.00 0.14 H new ATOM 0 HA LEU A 107 6.336 6.123 4.202 1.00 0.12 H new ATOM 0 HB2 LEU A 107 7.965 6.625 5.936 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.683 8.347 5.778 1.00 0.13 H new ATOM 0 HG LEU A 107 5.472 8.135 6.758 1.00 0.13 H new ATOM 0 HD11 LEU A 107 4.689 5.975 7.642 1.00 0.12 H new ATOM 0 HD12 LEU A 107 4.890 5.924 5.875 1.00 0.12 H new ATOM 0 HD13 LEU A 107 6.110 5.173 6.931 1.00 0.12 H new ATOM 0 HD21 LEU A 107 6.142 7.390 9.017 1.00 0.15 H new ATOM 0 HD22 LEU A 107 7.591 6.620 8.327 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.405 8.389 8.258 1.00 0.15 H new ATOM 928 N ASP A 108 5.659 9.308 3.794 1.00 0.17 N ATOM 929 CA ASP A 108 4.549 10.220 3.533 1.00 0.19 C ATOM 930 C ASP A 108 3.835 9.853 2.240 1.00 0.17 C ATOM 931 O ASP A 108 2.606 9.828 2.185 1.00 0.18 O ATOM 932 CB ASP A 108 5.035 11.670 3.457 1.00 0.28 C ATOM 933 CG ASP A 108 5.578 12.175 4.775 1.00 0.94 C ATOM 934 OD1 ASP A 108 4.782 12.659 5.603 1.00 0.96 O ATOM 935 OD2 ASP A 108 6.807 12.085 4.993 1.00 1.63 O ATOM 0 H ASP A 108 6.582 9.741 3.768 1.00 0.17 H new ATOM 0 HA ASP A 108 3.848 10.126 4.363 1.00 0.19 H new ATOM 0 HB2 ASP A 108 5.811 11.749 2.695 1.00 0.28 H new ATOM 0 HB3 ASP A 108 4.211 12.309 3.140 1.00 0.28 H new ATOM 940 N GLN A 109 4.614 9.546 1.210 1.00 0.20 N ATOM 941 CA GLN A 109 4.078 9.214 -0.103 1.00 0.20 C ATOM 942 C GLN A 109 3.188 7.975 -0.042 1.00 0.17 C ATOM 943 O GLN A 109 2.029 8.008 -0.465 1.00 0.19 O ATOM 944 CB GLN A 109 5.235 8.990 -1.081 1.00 0.26 C ATOM 945 CG GLN A 109 4.850 8.203 -2.320 1.00 0.43 C ATOM 946 CD GLN A 109 6.037 7.898 -3.212 1.00 0.47 C ATOM 947 OE1 GLN A 109 6.998 8.662 -3.275 1.00 0.86 O ATOM 948 NE2 GLN A 109 5.980 6.769 -3.904 1.00 0.53 N ATOM 0 H GLN A 109 5.632 9.520 1.262 1.00 0.20 H new ATOM 0 HA GLN A 109 3.463 10.045 -0.448 1.00 0.20 H new ATOM 0 HB2 GLN A 109 5.632 9.958 -1.386 1.00 0.26 H new ATOM 0 HB3 GLN A 109 6.038 8.465 -0.564 1.00 0.26 H new ATOM 0 HG2 GLN A 109 4.377 7.268 -2.019 1.00 0.43 H new ATOM 0 HG3 GLN A 109 4.109 8.766 -2.888 1.00 0.43 H new ATOM 0 HE21 GLN A 109 5.164 6.162 -3.824 1.00 0.53 H new ATOM 0 HE22 GLN A 109 6.752 6.507 -4.517 1.00 0.53 H new ATOM 957 N VAL A 110 3.731 6.887 0.497 1.00 0.14 N ATOM 958 CA VAL A 110 2.988 5.643 0.602 1.00 0.14 C ATOM 959 C VAL A 110 1.771 5.809 1.503 1.00 0.13 C ATOM 960 O VAL A 110 0.683 5.341 1.174 1.00 0.15 O ATOM 961 CB VAL A 110 3.867 4.481 1.121 1.00 0.13 C ATOM 962 CG1 VAL A 110 4.585 3.824 -0.025 1.00 0.16 C ATOM 963 CG2 VAL A 110 4.885 4.961 2.125 1.00 0.14 C ATOM 0 H VAL A 110 4.681 6.845 0.866 1.00 0.14 H new ATOM 0 HA VAL A 110 2.657 5.391 -0.405 1.00 0.14 H new ATOM 0 HB VAL A 110 3.206 3.765 1.610 1.00 0.13 H new ATOM 0 HG11 VAL A 110 5.201 3.007 0.352 1.00 0.16 H new ATOM 0 HG12 VAL A 110 3.856 3.432 -0.734 1.00 0.16 H new ATOM 0 HG13 VAL A 110 5.219 4.556 -0.525 1.00 0.16 H new ATOM 0 HG21 VAL A 110 5.484 4.117 2.467 1.00 0.14 H new ATOM 0 HG22 VAL A 110 5.535 5.702 1.659 1.00 0.14 H new ATOM 0 HG23 VAL A 110 4.373 5.411 2.975 1.00 0.14 H new ATOM 973 N ALA A 111 1.957 6.505 2.616 1.00 0.11 N ATOM 974 CA ALA A 111 0.884 6.712 3.585 1.00 0.10 C ATOM 975 C ALA A 111 -0.262 7.530 2.995 1.00 0.10 C ATOM 976 O ALA A 111 -1.430 7.209 3.205 1.00 0.10 O ATOM 977 CB ALA A 111 1.422 7.384 4.835 1.00 0.10 C ATOM 0 H ALA A 111 2.844 6.938 2.873 1.00 0.11 H new ATOM 0 HA ALA A 111 0.488 5.732 3.850 1.00 0.10 H new ATOM 0 HB1 ALA A 111 0.610 7.531 5.547 1.00 0.10 H new ATOM 0 HB2 ALA A 111 2.190 6.754 5.285 1.00 0.10 H new ATOM 0 HB3 ALA A 111 1.853 8.350 4.572 1.00 0.10 H new ATOM 983 N LYS A 112 0.067 8.584 2.259 1.00 0.13 N ATOM 984 CA LYS A 112 -0.955 9.426 1.649 1.00 0.16 C ATOM 985 C LYS A 112 -1.739 8.666 0.587 1.00 0.17 C ATOM 986 O LYS A 112 -2.937 8.903 0.410 1.00 0.20 O ATOM 987 CB LYS A 112 -0.339 10.700 1.062 1.00 0.20 C ATOM 988 CG LYS A 112 -0.029 11.749 2.120 1.00 0.32 C ATOM 989 CD LYS A 112 -1.293 12.172 2.855 1.00 0.56 C ATOM 990 CE LYS A 112 -0.992 13.115 4.013 1.00 0.97 C ATOM 991 NZ LYS A 112 -0.444 14.420 3.556 1.00 1.37 N ATOM 0 H LYS A 112 1.026 8.875 2.071 1.00 0.13 H new ATOM 0 HA LYS A 112 -1.653 9.717 2.434 1.00 0.16 H new ATOM 0 HB2 LYS A 112 0.578 10.443 0.532 1.00 0.20 H new ATOM 0 HB3 LYS A 112 -1.024 11.123 0.327 1.00 0.20 H new ATOM 0 HG2 LYS A 112 0.694 11.350 2.832 1.00 0.32 H new ATOM 0 HG3 LYS A 112 0.432 12.619 1.651 1.00 0.32 H new ATOM 0 HD2 LYS A 112 -1.972 12.661 2.156 1.00 0.56 H new ATOM 0 HD3 LYS A 112 -1.806 11.287 3.232 1.00 0.56 H new ATOM 0 HE2 LYS A 112 -1.904 13.287 4.584 1.00 0.97 H new ATOM 0 HE3 LYS A 112 -0.279 12.641 4.688 1.00 0.97 H new ATOM 0 HZ1 LYS A 112 -0.272 15.032 4.379 1.00 1.37 H new ATOM 0 HZ2 LYS A 112 0.450 14.263 3.049 1.00 1.37 H new ATOM 0 HZ3 LYS A 112 -1.127 14.880 2.920 1.00 1.37 H new ATOM 1005 N PHE A 113 -1.083 7.739 -0.104 1.00 0.19 N ATOM 1006 CA PHE A 113 -1.786 6.905 -1.067 1.00 0.21 C ATOM 1007 C PHE A 113 -2.671 5.908 -0.323 1.00 0.20 C ATOM 1008 O PHE A 113 -3.799 5.637 -0.733 1.00 0.23 O ATOM 1009 CB PHE A 113 -0.820 6.170 -1.997 1.00 0.25 C ATOM 1010 CG PHE A 113 -1.475 5.756 -3.284 1.00 0.32 C ATOM 1011 CD1 PHE A 113 -2.308 4.650 -3.330 1.00 0.35 C ATOM 1012 CD2 PHE A 113 -1.281 6.489 -4.444 1.00 0.37 C ATOM 1013 CE1 PHE A 113 -2.934 4.282 -4.506 1.00 0.43 C ATOM 1014 CE2 PHE A 113 -1.901 6.124 -5.625 1.00 0.45 C ATOM 1015 CZ PHE A 113 -2.730 5.019 -5.655 1.00 0.47 C ATOM 0 H PHE A 113 -0.085 7.550 -0.017 1.00 0.19 H new ATOM 0 HA PHE A 113 -2.403 7.551 -1.691 1.00 0.21 H new ATOM 0 HB2 PHE A 113 0.032 6.814 -2.216 1.00 0.25 H new ATOM 0 HB3 PHE A 113 -0.430 5.288 -1.489 1.00 0.25 H new ATOM 0 HD1 PHE A 113 -2.470 4.068 -2.435 1.00 0.35 H new ATOM 0 HD2 PHE A 113 -0.638 7.356 -4.425 1.00 0.37 H new ATOM 0 HE1 PHE A 113 -3.582 3.418 -4.526 1.00 0.43 H new ATOM 0 HE2 PHE A 113 -1.737 6.702 -6.523 1.00 0.45 H new ATOM 0 HZ PHE A 113 -3.217 4.733 -6.575 1.00 0.47 H new ATOM 1025 N ILE A 114 -2.145 5.374 0.777 1.00 0.18 N ATOM 1026 CA ILE A 114 -2.920 4.538 1.684 1.00 0.18 C ATOM 1027 C ILE A 114 -4.205 5.248 2.090 1.00 0.17 C ATOM 1028 O ILE A 114 -5.291 4.667 2.074 1.00 0.21 O ATOM 1029 CB ILE A 114 -2.107 4.224 2.948 1.00 0.16 C ATOM 1030 CG1 ILE A 114 -1.033 3.187 2.650 1.00 0.19 C ATOM 1031 CG2 ILE A 114 -3.013 3.746 4.069 1.00 0.18 C ATOM 1032 CD1 ILE A 114 0.139 3.277 3.587 1.00 0.17 C ATOM 0 H ILE A 114 -1.175 5.509 1.062 1.00 0.18 H new ATOM 0 HA ILE A 114 -3.162 3.610 1.165 1.00 0.18 H new ATOM 0 HB ILE A 114 -1.619 5.142 3.274 1.00 0.16 H new ATOM 0 HG12 ILE A 114 -1.469 2.190 2.715 1.00 0.19 H new ATOM 0 HG13 ILE A 114 -0.684 3.316 1.625 1.00 0.19 H new ATOM 0 HG21 ILE A 114 -2.414 3.530 4.954 1.00 0.18 H new ATOM 0 HG22 ILE A 114 -3.741 4.522 4.304 1.00 0.18 H new ATOM 0 HG23 ILE A 114 -3.535 2.842 3.755 1.00 0.18 H new ATOM 0 HD11 ILE A 114 0.872 2.514 3.327 1.00 0.17 H new ATOM 0 HD12 ILE A 114 0.596 4.263 3.504 1.00 0.17 H new ATOM 0 HD13 ILE A 114 -0.201 3.120 4.611 1.00 0.17 H new ATOM 1044 N ILE A 115 -4.055 6.510 2.462 1.00 0.14 N ATOM 1045 CA ILE A 115 -5.170 7.339 2.860 1.00 0.17 C ATOM 1046 C ILE A 115 -6.202 7.464 1.755 1.00 0.21 C ATOM 1047 O ILE A 115 -7.393 7.313 2.001 1.00 0.30 O ATOM 1048 CB ILE A 115 -4.681 8.728 3.292 1.00 0.19 C ATOM 1049 CG1 ILE A 115 -4.049 8.612 4.674 1.00 0.18 C ATOM 1050 CG2 ILE A 115 -5.822 9.741 3.276 1.00 0.30 C ATOM 1051 CD1 ILE A 115 -3.290 9.840 5.115 1.00 0.22 C ATOM 0 H ILE A 115 -3.153 6.984 2.495 1.00 0.14 H new ATOM 0 HA ILE A 115 -5.652 6.853 3.708 1.00 0.17 H new ATOM 0 HB ILE A 115 -3.934 9.092 2.587 1.00 0.19 H new ATOM 0 HG12 ILE A 115 -4.832 8.402 5.402 1.00 0.18 H new ATOM 0 HG13 ILE A 115 -3.371 7.758 4.680 1.00 0.18 H new ATOM 0 HG21 ILE A 115 -5.447 10.716 3.586 1.00 0.30 H new ATOM 0 HG22 ILE A 115 -6.230 9.813 2.268 1.00 0.30 H new ATOM 0 HG23 ILE A 115 -6.605 9.418 3.962 1.00 0.30 H new ATOM 0 HD11 ILE A 115 -2.873 9.673 6.108 1.00 0.22 H new ATOM 0 HD12 ILE A 115 -2.482 10.041 4.411 1.00 0.22 H new ATOM 0 HD13 ILE A 115 -3.966 10.694 5.145 1.00 0.22 H new ATOM 1063 N ASP A 116 -5.758 7.724 0.533 1.00 0.21 N ATOM 1064 CA ASP A 116 -6.702 7.868 -0.568 1.00 0.31 C ATOM 1065 C ASP A 116 -7.340 6.530 -0.904 1.00 0.32 C ATOM 1066 O ASP A 116 -8.445 6.481 -1.425 1.00 0.44 O ATOM 1067 CB ASP A 116 -6.065 8.472 -1.817 1.00 0.43 C ATOM 1068 CG ASP A 116 -7.118 8.889 -2.824 1.00 0.90 C ATOM 1069 OD1 ASP A 116 -7.625 10.024 -2.713 1.00 1.43 O ATOM 1070 OD2 ASP A 116 -7.452 8.090 -3.720 1.00 1.21 O ATOM 0 H ASP A 116 -4.776 7.837 0.282 1.00 0.21 H new ATOM 0 HA ASP A 116 -7.471 8.563 -0.230 1.00 0.31 H new ATOM 0 HB2 ASP A 116 -5.462 9.336 -1.539 1.00 0.43 H new ATOM 0 HB3 ASP A 116 -5.391 7.746 -2.272 1.00 0.43 H new ATOM 1075 N ASN A 117 -6.657 5.445 -0.567 1.00 0.29 N ATOM 1076 CA ASN A 117 -7.200 4.107 -0.772 1.00 0.37 C ATOM 1077 C ASN A 117 -8.479 3.919 0.050 1.00 0.42 C ATOM 1078 O ASN A 117 -9.262 3.003 -0.196 1.00 0.59 O ATOM 1079 CB ASN A 117 -6.157 3.042 -0.403 1.00 0.38 C ATOM 1080 CG ASN A 117 -6.554 1.643 -0.844 1.00 0.49 C ATOM 1081 OD1 ASN A 117 -6.261 1.227 -1.965 1.00 0.61 O ATOM 1082 ND2 ASN A 117 -7.209 0.897 0.036 1.00 0.49 N ATOM 0 H ASN A 117 -5.726 5.464 -0.150 1.00 0.29 H new ATOM 0 HA ASN A 117 -7.449 3.991 -1.827 1.00 0.37 H new ATOM 0 HB2 ASN A 117 -5.202 3.303 -0.859 1.00 0.38 H new ATOM 0 HB3 ASN A 117 -6.007 3.048 0.677 1.00 0.38 H new ATOM 0 HD21 ASN A 117 -7.486 -0.054 -0.208 1.00 0.49 H new ATOM 0 HD22 ASN A 117 -7.435 1.274 0.956 1.00 0.49 H new ATOM 1089 N THR A 118 -8.680 4.786 1.037 1.00 0.36 N ATOM 1090 CA THR A 118 -9.902 4.784 1.822 1.00 0.45 C ATOM 1091 C THR A 118 -10.689 6.091 1.650 1.00 0.48 C ATOM 1092 O THR A 118 -11.922 6.091 1.672 1.00 0.87 O ATOM 1093 CB THR A 118 -9.590 4.560 3.314 1.00 0.52 C ATOM 1094 OG1 THR A 118 -8.453 5.347 3.702 1.00 0.51 O ATOM 1095 CG2 THR A 118 -9.321 3.090 3.598 1.00 0.66 C ATOM 0 H THR A 118 -8.006 5.501 1.311 1.00 0.36 H new ATOM 0 HA THR A 118 -10.519 3.963 1.455 1.00 0.45 H new ATOM 0 HB THR A 118 -10.459 4.870 3.894 1.00 0.52 H new ATOM 0 HG1 THR A 118 -8.326 6.077 3.061 1.00 0.51 H new ATOM 0 HG21 THR A 118 -9.103 2.958 4.658 1.00 0.66 H new ATOM 0 HG22 THR A 118 -10.199 2.501 3.332 1.00 0.66 H new ATOM 0 HG23 THR A 118 -8.468 2.756 3.008 1.00 0.66 H new ATOM 1103 N LYS A 119 -9.975 7.201 1.462 1.00 0.36 N ATOM 1104 CA LYS A 119 -10.610 8.518 1.403 1.00 0.37 C ATOM 1105 C LYS A 119 -11.075 8.868 -0.021 1.00 0.55 C ATOM 1106 O LYS A 119 -12.114 9.509 -0.194 1.00 1.19 O ATOM 1107 CB LYS A 119 -9.654 9.604 1.953 1.00 0.39 C ATOM 1108 CG LYS A 119 -8.870 10.357 0.891 1.00 0.74 C ATOM 1109 CD LYS A 119 -9.539 11.677 0.534 1.00 0.84 C ATOM 1110 CE LYS A 119 -8.770 12.424 -0.541 1.00 0.97 C ATOM 1111 NZ LYS A 119 -7.425 12.847 -0.069 1.00 1.55 N ATOM 0 H LYS A 119 -8.961 7.215 1.348 1.00 0.36 H new ATOM 0 HA LYS A 119 -11.499 8.483 2.032 1.00 0.37 H new ATOM 0 HB2 LYS A 119 -10.236 10.321 2.532 1.00 0.39 H new ATOM 0 HB3 LYS A 119 -8.950 9.135 2.640 1.00 0.39 H new ATOM 0 HG2 LYS A 119 -7.858 10.546 1.250 1.00 0.74 H new ATOM 0 HG3 LYS A 119 -8.781 9.740 -0.003 1.00 0.74 H new ATOM 0 HD2 LYS A 119 -10.556 11.488 0.189 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -9.615 12.299 1.426 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -8.663 11.787 -1.419 1.00 0.97 H new ATOM 0 HE3 LYS A 119 -9.338 13.301 -0.851 1.00 0.97 H new ATOM 0 HZ1 LYS A 119 -7.252 13.833 -0.351 1.00 1.55 H new ATOM 0 HZ2 LYS A 119 -7.381 12.771 0.967 1.00 1.55 H new ATOM 0 HZ3 LYS A 119 -6.700 12.233 -0.492 1.00 1.55 H new ATOM 1125 N GLY A 120 -10.317 8.446 -1.029 1.00 1.13 N ATOM 1126 CA GLY A 120 -10.634 8.804 -2.406 1.00 1.33 C ATOM 1127 C GLY A 120 -11.062 7.607 -3.234 1.00 1.62 C ATOM 1128 O GLY A 120 -12.239 7.469 -3.576 1.00 2.09 O ATOM 0 H GLY A 120 -9.488 7.862 -0.920 1.00 1.13 H new ATOM 0 HA2 GLY A 120 -11.430 9.548 -2.410 1.00 1.33 H new ATOM 0 HA3 GLY A 120 -9.762 9.268 -2.867 1.00 1.33 H new ATOM 1132 N GLN A 121 -10.095 6.744 -3.549 1.00 2.16 N ATOM 1133 CA GLN A 121 -10.328 5.549 -4.364 1.00 2.71 C ATOM 1134 C GLN A 121 -10.728 5.931 -5.783 1.00 2.44 C ATOM 1135 O GLN A 121 -11.354 5.142 -6.493 1.00 3.00 O ATOM 1136 CB GLN A 121 -11.422 4.659 -3.765 1.00 3.65 C ATOM 1137 CG GLN A 121 -11.171 4.221 -2.336 1.00 4.49 C ATOM 1138 CD GLN A 121 -12.253 3.288 -1.825 1.00 5.40 C ATOM 1139 OE1 GLN A 121 -13.410 3.368 -2.244 1.00 5.92 O ATOM 1140 NE2 GLN A 121 -11.886 2.400 -0.915 1.00 5.94 N ATOM 0 H GLN A 121 -9.127 6.853 -3.246 1.00 2.16 H new ATOM 0 HA GLN A 121 -9.391 4.992 -4.382 1.00 2.71 H new ATOM 0 HB2 GLN A 121 -12.370 5.195 -3.805 1.00 3.65 H new ATOM 0 HB3 GLN A 121 -11.531 3.772 -4.389 1.00 3.65 H new ATOM 0 HG2 GLN A 121 -10.204 3.721 -2.275 1.00 4.49 H new ATOM 0 HG3 GLN A 121 -11.117 5.099 -1.693 1.00 4.49 H new ATOM 0 HE21 GLN A 121 -10.918 2.368 -0.595 1.00 5.94 H new ATOM 0 HE22 GLN A 121 -12.571 1.748 -0.533 1.00 5.94 H new ATOM 1149 N MET A 122 -10.367 7.134 -6.198 1.00 1.98 N ATOM 1150 CA MET A 122 -10.818 7.635 -7.486 1.00 2.42 C ATOM 1151 C MET A 122 -9.731 8.424 -8.200 1.00 2.93 C ATOM 1152 O MET A 122 -9.243 8.007 -9.248 1.00 3.59 O ATOM 1153 CB MET A 122 -12.063 8.508 -7.303 1.00 2.91 C ATOM 1154 CG MET A 122 -12.615 9.071 -8.606 1.00 3.78 C ATOM 1155 SD MET A 122 -13.139 7.783 -9.757 1.00 4.43 S ATOM 1156 CE MET A 122 -14.447 6.997 -8.813 1.00 5.09 C ATOM 0 H MET A 122 -9.772 7.774 -5.671 1.00 1.98 H new ATOM 0 HA MET A 122 -11.063 6.773 -8.107 1.00 2.42 H new ATOM 0 HB2 MET A 122 -12.840 7.919 -6.814 1.00 2.91 H new ATOM 0 HB3 MET A 122 -11.821 9.334 -6.634 1.00 2.91 H new ATOM 0 HG2 MET A 122 -13.461 9.722 -8.386 1.00 3.78 H new ATOM 0 HG3 MET A 122 -11.853 9.689 -9.081 1.00 3.78 H new ATOM 0 HE1 MET A 122 -15.065 6.395 -9.479 1.00 5.09 H new ATOM 0 HE2 MET A 122 -14.009 6.357 -8.047 1.00 5.09 H new ATOM 0 HE3 MET A 122 -15.063 7.761 -8.338 1.00 5.09 H new ATOM 1166 N LEU A 123 -9.354 9.558 -7.632 1.00 3.22 N ATOM 1167 CA LEU A 123 -8.448 10.473 -8.310 1.00 4.12 C ATOM 1168 C LEU A 123 -7.113 10.589 -7.596 1.00 4.02 C ATOM 1169 O LEU A 123 -6.110 10.964 -8.202 1.00 4.70 O ATOM 1170 CB LEU A 123 -9.086 11.857 -8.440 1.00 4.88 C ATOM 1171 CG LEU A 123 -10.302 11.924 -9.358 1.00 5.87 C ATOM 1172 CD1 LEU A 123 -10.823 13.348 -9.448 1.00 6.52 C ATOM 1173 CD2 LEU A 123 -9.948 11.389 -10.737 1.00 6.54 C ATOM 0 H LEU A 123 -9.659 9.866 -6.709 1.00 3.22 H new ATOM 0 HA LEU A 123 -8.261 10.062 -9.302 1.00 4.12 H new ATOM 0 HB2 LEU A 123 -9.380 12.199 -7.448 1.00 4.88 H new ATOM 0 HB3 LEU A 123 -8.333 12.554 -8.808 1.00 4.88 H new ATOM 0 HG LEU A 123 -11.092 11.301 -8.939 1.00 5.87 H new ATOM 0 HD11 LEU A 123 -11.691 13.377 -10.107 1.00 6.52 H new ATOM 0 HD12 LEU A 123 -11.110 13.694 -8.455 1.00 6.52 H new ATOM 0 HD13 LEU A 123 -10.043 13.996 -9.847 1.00 6.52 H new ATOM 0 HD21 LEU A 123 -10.824 11.442 -11.384 1.00 6.54 H new ATOM 0 HD22 LEU A 123 -9.145 11.989 -11.165 1.00 6.54 H new ATOM 0 HD23 LEU A 123 -9.622 10.352 -10.652 1.00 6.54 H new ATOM 1185 N GLY A 124 -7.103 10.272 -6.311 1.00 3.47 N ATOM 1186 CA GLY A 124 -5.891 10.410 -5.535 1.00 3.55 C ATOM 1187 C GLY A 124 -5.755 11.810 -4.987 1.00 3.60 C ATOM 1188 O GLY A 124 -5.095 12.656 -5.593 1.00 4.13 O ATOM 0 H GLY A 124 -7.910 9.923 -5.794 1.00 3.47 H new ATOM 0 HA2 GLY A 124 -5.897 9.693 -4.714 1.00 3.55 H new ATOM 0 HA3 GLY A 124 -5.028 10.174 -6.157 1.00 3.55 H new ATOM 1192 N LEU A 125 -6.400 12.049 -3.846 1.00 3.52 N ATOM 1193 CA LEU A 125 -6.424 13.357 -3.201 1.00 4.14 C ATOM 1194 C LEU A 125 -7.276 14.340 -3.998 1.00 4.84 C ATOM 1195 O LEU A 125 -8.421 14.613 -3.634 1.00 5.10 O ATOM 1196 CB LEU A 125 -5.009 13.922 -2.998 1.00 4.72 C ATOM 1197 CG LEU A 125 -4.174 13.246 -1.905 1.00 4.91 C ATOM 1198 CD1 LEU A 125 -3.633 11.898 -2.366 1.00 5.60 C ATOM 1199 CD2 LEU A 125 -3.038 14.160 -1.486 1.00 5.61 C ATOM 0 H LEU A 125 -6.924 11.334 -3.341 1.00 3.52 H new ATOM 0 HA LEU A 125 -6.872 13.221 -2.217 1.00 4.14 H new ATOM 0 HB2 LEU A 125 -4.469 13.846 -3.942 1.00 4.72 H new ATOM 0 HB3 LEU A 125 -5.092 14.983 -2.762 1.00 4.72 H new ATOM 0 HG LEU A 125 -4.822 13.062 -1.048 1.00 4.91 H new ATOM 0 HD11 LEU A 125 -3.046 11.448 -1.565 1.00 5.60 H new ATOM 0 HD12 LEU A 125 -4.464 11.240 -2.620 1.00 5.60 H new ATOM 0 HD13 LEU A 125 -3.001 12.040 -3.243 1.00 5.60 H new ATOM 0 HD21 LEU A 125 -2.448 13.674 -0.709 1.00 5.61 H new ATOM 0 HD22 LEU A 125 -2.403 14.369 -2.347 1.00 5.61 H new ATOM 0 HD23 LEU A 125 -3.446 15.095 -1.101 1.00 5.61 H new ATOM 1211 N GLY A 126 -6.728 14.851 -5.084 1.00 5.52 N ATOM 1212 CA GLY A 126 -7.435 15.835 -5.873 1.00 6.43 C ATOM 1213 C GLY A 126 -6.867 17.220 -5.671 1.00 7.04 C ATOM 1214 O GLY A 126 -7.113 17.855 -4.641 1.00 7.19 O ATOM 0 H GLY A 126 -5.803 14.602 -5.436 1.00 5.52 H new ATOM 0 HA2 GLY A 126 -7.376 15.567 -6.928 1.00 6.43 H new ATOM 0 HA3 GLY A 126 -8.491 15.830 -5.601 1.00 6.43 H new ATOM 1218 N ASN A 127 -6.103 17.673 -6.661 1.00 7.66 N ATOM 1219 CA ASN A 127 -5.400 18.956 -6.603 1.00 8.46 C ATOM 1220 C ASN A 127 -4.412 18.971 -5.433 1.00 9.17 C ATOM 1221 O ASN A 127 -4.628 19.654 -4.430 1.00 9.63 O ATOM 1222 CB ASN A 127 -6.393 20.128 -6.497 1.00 8.87 C ATOM 1223 CG ASN A 127 -5.734 21.479 -6.730 1.00 9.56 C ATOM 1224 OD1 ASN A 127 -5.628 21.945 -7.867 1.00 9.78 O ATOM 1225 ND2 ASN A 127 -5.293 22.122 -5.663 1.00 10.13 N ATOM 0 H ASN A 127 -5.952 17.161 -7.530 1.00 7.66 H new ATOM 0 HA ASN A 127 -4.839 19.079 -7.530 1.00 8.46 H new ATOM 0 HB2 ASN A 127 -7.193 19.988 -7.224 1.00 8.87 H new ATOM 0 HB3 ASN A 127 -6.855 20.119 -5.510 1.00 8.87 H new ATOM 0 HD21 ASN A 127 -4.848 23.034 -5.765 1.00 10.13 H new ATOM 0 HD22 ASN A 127 -5.398 21.706 -4.738 1.00 10.13 H new ATOM 1232 N PRO A 128 -3.316 18.197 -5.546 1.00 9.47 N ATOM 1233 CA PRO A 128 -2.291 18.105 -4.503 1.00 10.33 C ATOM 1234 C PRO A 128 -1.476 19.389 -4.389 1.00 11.23 C ATOM 1235 O PRO A 128 -0.737 19.714 -5.341 1.00 11.71 O ATOM 1236 CB PRO A 128 -1.395 16.940 -4.958 1.00 10.58 C ATOM 1237 CG PRO A 128 -2.132 16.281 -6.077 1.00 9.76 C ATOM 1238 CD PRO A 128 -2.982 17.349 -6.697 1.00 9.24 C ATOM 1239 OXT PRO A 128 -1.589 20.082 -3.357 1.00 11.59 O ATOM 0 HA PRO A 128 -2.731 17.949 -3.518 1.00 10.33 H new ATOM 0 HB2 PRO A 128 -0.421 17.300 -5.289 1.00 10.58 H new ATOM 0 HB3 PRO A 128 -1.216 16.241 -4.141 1.00 10.58 H new ATOM 0 HG2 PRO A 128 -1.439 15.861 -6.806 1.00 9.76 H new ATOM 0 HG3 PRO A 128 -2.745 15.458 -5.709 1.00 9.76 H new ATOM 0 HD2 PRO A 128 -2.442 17.902 -7.466 1.00 9.24 H new ATOM 0 HD3 PRO A 128 -3.873 16.935 -7.169 1.00 9.24 H new TER 1247 PRO A 128