USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 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 100 TYR OH : rot 17:sc= -0.59 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -168:sc= -0.0252 (180deg=-0.199) USER MOD Set 2.1: A 75 THR OG1 : rot 85:sc= 0.519 USER MOD Set 2.2: A 77 CYS SG : rot 37:sc= 1.03 USER MOD Set 3.1: A 46 ASN : amide:sc= 0.473 K(o=1.2,f=-2.8) USER MOD Set 3.2: A 49 LYS NZ :NH3+ 137:sc= 0.686 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00763) USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= 0.924 (180deg=-0.529!) USER MOD Single : A 33 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.16) USER MOD Single : A 36 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-1.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.152) USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00478 USER MOD Single : A 51 TYR OH : rot -90:sc= -1.97! USER MOD Single : A 52 SER OG : rot 82:sc= 1.92 USER MOD Single : A 53 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.87) USER MOD Single : A 58 ASN : amide:sc= -5.31! C(o=-5.3!,f=-6.2!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.2 USER MOD Single : A 61 ASN : amide:sc= -0.816 K(o=-0.82,f=-9.8!) USER MOD Single : A 64 TYR OH : rot 43:sc= 1.22 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.99! C(o=-4!,f=-6.8!) USER MOD Single : A 69 SER OG : rot 85:sc= 0.415 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 86 THR OG1 : rot 64:sc= 1.33 USER MOD Single : A 93 LYS NZ :NH3+ 139:sc= 0.275 (180deg=-1.09!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.154 USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= 1.79 (180deg=0.859) USER MOD Single : A 99 TYR OH : rot 8:sc= -1.69! USER MOD Single : A 105 SER OG : rot 72:sc= 0.745 USER MOD Single : A 106 ASN : amide:sc= -0.0235 K(o=-0.024,f=-1.8) USER MOD Single : A 107 MET CE :methyl -174:sc= -1.18 (180deg=-1.35) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0274) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 124 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.23) USER MOD Single : A 126 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.327) USER MOD Single : A 128 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.011) USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0294) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 174:sc= -0.546 (180deg=-0.737) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 CYS SG : rot 88:sc= -0.94 USER MOD Single : A 140 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.1) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.329 K(o=-0.33,f=-4.2!) USER MOD Single : A 146 LYS NZ :NH3+ -128:sc= -0.13 (180deg=-0.901) USER MOD Single : B 1 MET CE :methyl -165:sc= -0.0976 (180deg=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -19.909 -13.408 11.702 1.00 1.33 N ATOM 2 CA THR A 17 -20.422 -14.250 10.635 1.00 1.20 C ATOM 3 C THR A 17 -19.292 -14.631 9.678 1.00 1.09 C ATOM 4 O THR A 17 -18.116 -14.358 9.949 1.00 1.11 O ATOM 5 CB THR A 17 -21.568 -13.534 9.864 1.00 1.41 C ATOM 6 OG1 THR A 17 -22.260 -14.457 9.008 1.00 2.22 O ATOM 7 CG2 THR A 17 -21.046 -12.369 9.027 1.00 0.92 C ATOM 0 HA THR A 17 -20.830 -15.158 11.079 1.00 1.20 H new ATOM 0 HB THR A 17 -22.257 -13.142 10.612 1.00 1.41 H new ATOM 0 HG1 THR A 17 -22.978 -13.988 8.533 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.877 -11.895 8.504 1.00 0.92 H new ATOM 0 HG22 THR A 17 -20.564 -11.640 9.679 1.00 0.92 H new ATOM 0 HG23 THR A 17 -20.323 -12.739 8.300 1.00 0.92 H new ATOM 15 N ASP A 18 -19.655 -15.278 8.580 1.00 1.03 N ATOM 16 CA ASP A 18 -18.705 -15.635 7.532 1.00 0.95 C ATOM 17 C ASP A 18 -18.280 -14.368 6.793 1.00 0.84 C ATOM 18 O ASP A 18 -18.734 -13.278 7.149 1.00 0.84 O ATOM 19 CB ASP A 18 -19.365 -16.623 6.558 1.00 0.95 C ATOM 20 CG ASP A 18 -19.897 -17.857 7.256 1.00 1.08 C ATOM 21 OD1 ASP A 18 -19.083 -18.675 7.726 1.00 1.18 O ATOM 22 OD2 ASP A 18 -21.135 -18.003 7.360 1.00 1.16 O ATOM 0 H ASP A 18 -20.613 -15.570 8.389 1.00 1.03 H new ATOM 0 HA ASP A 18 -17.826 -16.108 7.970 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -20.182 -16.124 6.037 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -18.640 -16.922 5.801 1.00 0.95 H new ATOM 27 N PRO A 19 -17.394 -14.452 5.775 1.00 0.78 N ATOM 28 CA PRO A 19 -17.125 -13.310 4.922 1.00 0.70 C ATOM 29 C PRO A 19 -18.425 -12.702 4.447 1.00 0.65 C ATOM 30 O PRO A 19 -19.339 -13.431 4.043 1.00 0.70 O ATOM 31 CB PRO A 19 -16.363 -13.880 3.721 1.00 0.71 C ATOM 32 CG PRO A 19 -16.246 -15.355 3.953 1.00 0.75 C ATOM 33 CD PRO A 19 -16.580 -15.611 5.399 1.00 0.84 C ATOM 0 HA PRO A 19 -16.564 -12.535 5.444 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -16.894 -13.674 2.792 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.378 -13.422 3.633 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -16.926 -15.902 3.299 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.238 -15.701 3.725 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.129 -16.544 5.525 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.681 -15.685 6.011 1.00 0.84 H new ATOM 41 N PRO A 20 -18.551 -11.375 4.514 1.00 0.58 N ATOM 42 CA PRO A 20 -19.745 -10.699 4.035 1.00 0.54 C ATOM 43 C PRO A 20 -20.057 -11.133 2.618 1.00 0.55 C ATOM 44 O PRO A 20 -19.181 -11.611 1.895 1.00 0.58 O ATOM 45 CB PRO A 20 -19.381 -9.220 4.101 1.00 0.49 C ATOM 46 CG PRO A 20 -18.318 -9.145 5.145 1.00 0.50 C ATOM 47 CD PRO A 20 -17.554 -10.438 5.048 1.00 0.56 C ATOM 0 HA PRO A 20 -20.635 -10.927 4.621 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.019 -8.857 3.139 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.244 -8.610 4.368 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.663 -8.290 4.975 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.753 -9.021 6.137 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.691 -10.348 4.388 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.179 -10.759 6.020 1.00 0.56 H new ATOM 55 N ALA A 21 -21.291 -11.005 2.230 1.00 0.56 N ATOM 56 CA ALA A 21 -21.724 -11.543 0.966 1.00 0.63 C ATOM 57 C ALA A 21 -21.249 -10.691 -0.211 1.00 0.60 C ATOM 58 O ALA A 21 -20.665 -9.628 -0.025 1.00 0.60 O ATOM 59 CB ALA A 21 -23.234 -11.690 0.978 1.00 0.72 C ATOM 0 H ALA A 21 -22.019 -10.534 2.767 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.272 -12.525 0.830 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.568 -12.097 0.023 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.528 -12.364 1.782 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.693 -10.714 1.137 1.00 0.72 H new ATOM 65 N ASP A 22 -21.528 -11.202 -1.400 1.00 0.64 N ATOM 66 CA ASP A 22 -21.285 -10.545 -2.687 1.00 0.70 C ATOM 67 C ASP A 22 -21.598 -9.060 -2.627 1.00 0.67 C ATOM 68 O ASP A 22 -20.712 -8.295 -2.311 1.00 1.01 O ATOM 69 CB ASP A 22 -22.065 -11.224 -3.817 1.00 1.01 C ATOM 70 CG ASP A 22 -21.731 -10.649 -5.182 1.00 1.54 C ATOM 71 OD1 ASP A 22 -20.614 -10.899 -5.683 1.00 1.66 O ATOM 72 OD2 ASP A 22 -22.586 -9.947 -5.759 1.00 2.34 O ATOM 0 H ASP A 22 -21.948 -12.125 -1.505 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.222 -10.649 -2.904 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -21.848 -12.292 -3.813 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.134 -11.116 -3.632 1.00 1.01 H new ATOM 77 N GLY A 23 -22.778 -8.655 -3.103 1.00 0.72 N ATOM 78 CA GLY A 23 -23.207 -7.249 -3.066 1.00 0.69 C ATOM 79 C GLY A 23 -22.506 -6.374 -2.023 1.00 0.61 C ATOM 80 O GLY A 23 -22.109 -5.258 -2.339 1.00 0.60 O ATOM 0 H GLY A 23 -23.461 -9.285 -3.523 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.044 -6.811 -4.051 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.280 -7.219 -2.878 1.00 0.69 H new ATOM 84 N ALA A 24 -22.343 -6.870 -0.793 1.00 0.59 N ATOM 85 CA ALA A 24 -21.590 -6.145 0.237 1.00 0.55 C ATOM 86 C ALA A 24 -20.094 -6.073 -0.105 1.00 0.48 C ATOM 87 O ALA A 24 -19.518 -4.987 -0.186 1.00 0.44 O ATOM 88 CB ALA A 24 -21.782 -6.800 1.599 1.00 0.56 C ATOM 0 H ALA A 24 -22.720 -7.767 -0.486 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.978 -5.127 0.272 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.216 -6.249 2.351 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.840 -6.790 1.862 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.427 -7.830 1.561 1.00 0.56 H new ATOM 94 N LEU A 25 -19.478 -7.234 -0.306 1.00 0.49 N ATOM 95 CA LEU A 25 -18.061 -7.327 -0.655 1.00 0.48 C ATOM 96 C LEU A 25 -17.758 -6.592 -1.950 1.00 0.51 C ATOM 97 O LEU A 25 -16.789 -5.840 -2.039 1.00 0.53 O ATOM 98 CB LEU A 25 -17.634 -8.792 -0.796 1.00 0.47 C ATOM 99 CG LEU A 25 -17.548 -9.573 0.512 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.557 -10.717 0.392 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.165 -8.656 1.652 1.00 0.49 C ATOM 0 H LEU A 25 -19.945 -8.138 -0.232 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.499 -6.859 0.153 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.339 -9.297 -1.456 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.660 -8.824 -1.285 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.531 -9.995 0.723 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.512 -11.260 1.336 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.876 -11.393 -0.401 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.570 -10.320 0.154 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.108 -9.230 2.577 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.195 -8.204 1.445 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -17.915 -7.872 1.756 1.00 0.49 H new ATOM 113 N LYS A 26 -18.594 -6.807 -2.950 1.00 0.55 N ATOM 114 CA LYS A 26 -18.427 -6.160 -4.237 1.00 0.59 C ATOM 115 C LYS A 26 -18.627 -4.658 -4.086 1.00 0.52 C ATOM 116 O LYS A 26 -18.100 -3.872 -4.864 1.00 0.53 O ATOM 117 CB LYS A 26 -19.426 -6.717 -5.252 1.00 0.68 C ATOM 118 CG LYS A 26 -20.505 -5.719 -5.622 1.00 0.73 C ATOM 119 CD LYS A 26 -21.703 -6.385 -6.263 1.00 0.82 C ATOM 120 CE LYS A 26 -22.701 -5.347 -6.759 1.00 0.93 C ATOM 121 NZ LYS A 26 -22.253 -4.717 -8.032 1.00 1.53 N ATOM 0 H LYS A 26 -19.400 -7.429 -2.893 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.418 -6.357 -4.599 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.892 -7.018 -6.153 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.892 -7.613 -4.843 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -20.824 -5.183 -4.728 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.093 -4.978 -6.307 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.376 -7.008 -7.096 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.186 -7.045 -5.542 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.672 -5.818 -6.908 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.834 -4.577 -5.999 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -22.988 -4.066 -8.375 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -21.372 -4.189 -7.867 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -22.085 -5.456 -8.745 1.00 1.53 H new ATOM 135 N ARG A 27 -19.410 -4.264 -3.087 1.00 0.49 N ATOM 136 CA ARG A 27 -19.640 -2.858 -2.833 1.00 0.45 C ATOM 137 C ARG A 27 -18.411 -2.255 -2.173 1.00 0.39 C ATOM 138 O ARG A 27 -18.092 -1.091 -2.386 1.00 0.37 O ATOM 139 CB ARG A 27 -20.869 -2.640 -1.950 1.00 0.49 C ATOM 140 CG ARG A 27 -21.174 -1.172 -1.698 1.00 0.45 C ATOM 141 CD ARG A 27 -21.511 -0.464 -3.000 1.00 0.51 C ATOM 142 NE ARG A 27 -22.893 -0.710 -3.408 1.00 1.11 N ATOM 143 CZ ARG A 27 -23.305 -0.770 -4.673 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.454 -0.554 -5.670 1.00 1.01 N ATOM 145 NH2 ARG A 27 -24.580 -1.019 -4.935 1.00 2.11 N ATOM 0 H ARG A 27 -19.890 -4.898 -2.448 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.827 -2.365 -3.787 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.734 -3.108 -2.420 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.715 -3.141 -0.995 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.009 -1.083 -1.003 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.315 -0.692 -1.229 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -21.352 0.608 -2.883 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -20.834 -0.803 -3.784 1.00 0.51 H new ATOM 0 HE ARG A 27 -23.589 -0.845 -2.674 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.477 -0.340 -5.469 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.778 -0.602 -6.636 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -25.239 -1.163 -4.170 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.902 -1.066 -5.902 1.00 2.11 H new ATOM 159 N ALA A 28 -17.730 -3.056 -1.363 1.00 0.39 N ATOM 160 CA ALA A 28 -16.442 -2.662 -0.817 1.00 0.37 C ATOM 161 C ALA A 28 -15.469 -2.464 -1.967 1.00 0.37 C ATOM 162 O ALA A 28 -14.727 -1.485 -2.019 1.00 0.36 O ATOM 163 CB ALA A 28 -15.939 -3.715 0.163 1.00 0.42 C ATOM 0 H ALA A 28 -18.049 -3.980 -1.071 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.537 -1.726 -0.266 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.973 -3.407 0.564 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.653 -3.823 0.979 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.830 -4.669 -0.352 1.00 0.42 H new ATOM 169 N GLU A 29 -15.514 -3.405 -2.899 1.00 0.43 N ATOM 170 CA GLU A 29 -14.796 -3.298 -4.163 1.00 0.47 C ATOM 171 C GLU A 29 -15.239 -2.067 -4.955 1.00 0.45 C ATOM 172 O GLU A 29 -14.443 -1.447 -5.665 1.00 0.48 O ATOM 173 CB GLU A 29 -15.040 -4.566 -4.974 1.00 0.55 C ATOM 174 CG GLU A 29 -14.222 -5.749 -4.490 1.00 0.84 C ATOM 175 CD GLU A 29 -12.740 -5.562 -4.702 1.00 1.52 C ATOM 176 OE1 GLU A 29 -12.275 -5.735 -5.847 1.00 1.83 O ATOM 177 OE2 GLU A 29 -12.030 -5.265 -3.718 1.00 2.41 O ATOM 0 H GLU A 29 -16.051 -4.267 -2.801 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.732 -3.185 -3.957 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.099 -4.821 -4.928 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -14.804 -4.372 -6.020 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.415 -5.909 -3.429 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -14.548 -6.648 -5.012 1.00 0.84 H new ATOM 184 N GLU A 30 -16.506 -1.711 -4.827 1.00 0.43 N ATOM 185 CA GLU A 30 -17.038 -0.542 -5.500 1.00 0.44 C ATOM 186 C GLU A 30 -16.529 0.717 -4.862 1.00 0.41 C ATOM 187 O GLU A 30 -16.182 1.654 -5.549 1.00 0.48 O ATOM 188 CB GLU A 30 -18.554 -0.514 -5.471 1.00 0.47 C ATOM 189 CG GLU A 30 -19.196 -1.311 -6.571 1.00 0.64 C ATOM 190 CD GLU A 30 -18.512 -1.129 -7.912 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.670 -0.052 -8.520 1.00 1.52 O ATOM 192 OE2 GLU A 30 -17.838 -2.074 -8.369 1.00 1.72 O ATOM 0 H GLU A 30 -17.186 -2.218 -4.261 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.703 -0.601 -6.536 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.897 -0.897 -4.510 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.890 0.520 -5.540 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.182 -2.367 -6.303 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.242 -1.019 -6.661 1.00 0.64 H new ATOM 199 N LEU A 31 -16.502 0.738 -3.544 1.00 0.36 N ATOM 200 CA LEU A 31 -15.993 1.880 -2.817 1.00 0.36 C ATOM 201 C LEU A 31 -14.492 1.994 -3.025 1.00 0.37 C ATOM 202 O LEU A 31 -13.926 3.080 -2.959 1.00 0.41 O ATOM 203 CB LEU A 31 -16.335 1.753 -1.336 1.00 0.35 C ATOM 204 CG LEU A 31 -17.835 1.713 -1.025 1.00 0.37 C ATOM 205 CD1 LEU A 31 -18.062 1.493 0.456 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.515 2.994 -1.466 1.00 0.42 C ATOM 0 H LEU A 31 -16.829 -0.027 -2.954 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.462 2.789 -3.195 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.873 0.845 -0.947 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.889 2.592 -0.801 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.271 0.882 -1.579 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -19.132 1.467 0.660 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.612 0.547 0.756 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.605 2.307 1.019 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.579 2.940 -1.234 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -18.072 3.840 -0.941 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.384 3.124 -2.540 1.00 0.42 H new ATOM 218 N LYS A 32 -13.862 0.858 -3.300 1.00 0.37 N ATOM 219 CA LYS A 32 -12.468 0.822 -3.691 1.00 0.41 C ATOM 220 C LYS A 32 -12.310 1.520 -5.044 1.00 0.43 C ATOM 221 O LYS A 32 -11.383 2.298 -5.264 1.00 0.47 O ATOM 222 CB LYS A 32 -12.030 -0.637 -3.801 1.00 0.44 C ATOM 223 CG LYS A 32 -10.542 -0.867 -3.655 1.00 0.76 C ATOM 224 CD LYS A 32 -10.149 -2.192 -4.274 1.00 0.70 C ATOM 225 CE LYS A 32 -9.972 -2.048 -5.775 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.734 -1.288 -6.114 1.00 1.15 N ATOM 0 H LYS A 32 -14.306 -0.059 -3.257 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.851 1.333 -2.952 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.549 -1.216 -3.037 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.350 -1.026 -4.768 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.994 -0.057 -4.136 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -10.268 -0.856 -2.600 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.222 -2.548 -3.825 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.913 -2.940 -4.062 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -9.929 -3.036 -6.233 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.839 -1.539 -6.196 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.291 -1.705 -6.958 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.978 -0.295 -6.305 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.069 -1.333 -5.316 1.00 1.15 H new ATOM 240 N THR A 33 -13.253 1.243 -5.936 1.00 0.43 N ATOM 241 CA THR A 33 -13.272 1.828 -7.266 1.00 0.47 C ATOM 242 C THR A 33 -13.678 3.305 -7.201 1.00 0.47 C ATOM 243 O THR A 33 -13.092 4.154 -7.869 1.00 0.52 O ATOM 244 CB THR A 33 -14.242 1.042 -8.167 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.904 -0.352 -8.122 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.190 1.528 -9.605 1.00 0.57 C ATOM 0 H THR A 33 -14.027 0.604 -5.754 1.00 0.43 H new ATOM 0 HA THR A 33 -12.269 1.771 -7.690 1.00 0.47 H new ATOM 0 HB THR A 33 -15.254 1.200 -7.795 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.237 -0.743 -7.287 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.888 0.949 -10.210 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.464 2.582 -9.643 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.180 1.402 -9.995 1.00 0.57 H new ATOM 254 N GLN A 34 -14.692 3.599 -6.397 1.00 0.44 N ATOM 255 CA GLN A 34 -15.079 4.974 -6.100 1.00 0.46 C ATOM 256 C GLN A 34 -13.929 5.756 -5.483 1.00 0.46 C ATOM 257 O GLN A 34 -13.774 6.943 -5.742 1.00 0.51 O ATOM 258 CB GLN A 34 -16.262 5.003 -5.145 1.00 0.48 C ATOM 259 CG GLN A 34 -17.539 4.463 -5.747 1.00 0.50 C ATOM 260 CD GLN A 34 -18.081 5.340 -6.858 1.00 0.75 C ATOM 261 OE1 GLN A 34 -17.767 5.147 -8.034 1.00 1.50 O ATOM 262 NE2 GLN A 34 -18.892 6.317 -6.489 1.00 1.31 N ATOM 0 H GLN A 34 -15.267 2.895 -5.934 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.356 5.440 -7.045 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.015 4.422 -4.256 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.430 6.029 -4.819 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.356 3.462 -6.137 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -18.292 4.368 -4.965 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.126 6.441 -5.504 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.284 6.947 -7.189 1.00 1.31 H new ATOM 271 N ALA A 35 -13.133 5.103 -4.655 1.00 0.43 N ATOM 272 CA ALA A 35 -11.986 5.759 -4.058 1.00 0.44 C ATOM 273 C ALA A 35 -10.952 6.084 -5.121 1.00 0.48 C ATOM 274 O ALA A 35 -10.225 7.058 -4.999 1.00 0.50 O ATOM 275 CB ALA A 35 -11.383 4.913 -2.962 1.00 0.42 C ATOM 0 H ALA A 35 -13.259 4.128 -4.383 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.324 6.692 -3.607 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.525 5.431 -2.533 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.128 4.739 -2.185 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.061 3.957 -3.376 1.00 0.42 H new ATOM 281 N ASN A 36 -10.899 5.268 -6.169 1.00 0.53 N ATOM 282 CA ASN A 36 -10.083 5.582 -7.338 1.00 0.61 C ATOM 283 C ASN A 36 -10.637 6.817 -8.039 1.00 0.63 C ATOM 284 O ASN A 36 -9.887 7.627 -8.584 1.00 0.67 O ATOM 285 CB ASN A 36 -10.032 4.387 -8.301 1.00 0.69 C ATOM 286 CG ASN A 36 -9.359 4.717 -9.624 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.134 4.679 -9.743 1.00 1.88 O ATOM 288 ND2 ASN A 36 -10.158 5.009 -10.639 1.00 2.01 N ATOM 0 H ASN A 36 -11.409 4.387 -6.233 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.065 5.792 -7.010 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.498 3.565 -7.823 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.047 4.039 -8.493 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -9.763 5.212 -11.557 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -11.169 5.031 -10.503 1.00 2.01 H new ATOM 295 N ASP A 37 -11.958 6.972 -7.980 1.00 0.63 N ATOM 296 CA ASP A 37 -12.632 8.132 -8.559 1.00 0.68 C ATOM 297 C ASP A 37 -12.248 9.386 -7.788 1.00 0.65 C ATOM 298 O ASP A 37 -12.105 10.462 -8.363 1.00 0.68 O ATOM 299 CB ASP A 37 -14.155 7.941 -8.524 1.00 0.73 C ATOM 300 CG ASP A 37 -14.905 9.055 -9.231 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.933 9.060 -10.482 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.475 9.923 -8.544 1.00 1.04 O ATOM 0 H ASP A 37 -12.586 6.304 -7.534 1.00 0.63 H new ATOM 0 HA ASP A 37 -12.320 8.237 -9.598 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.408 6.988 -8.988 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.486 7.888 -7.487 1.00 0.73 H new ATOM 307 N TYR A 38 -12.063 9.228 -6.486 1.00 0.60 N ATOM 308 CA TYR A 38 -11.648 10.327 -5.631 1.00 0.58 C ATOM 309 C TYR A 38 -10.134 10.501 -5.653 1.00 0.57 C ATOM 310 O TYR A 38 -9.631 11.608 -5.490 1.00 0.57 O ATOM 311 CB TYR A 38 -12.173 10.122 -4.212 1.00 0.54 C ATOM 312 CG TYR A 38 -13.646 10.444 -4.095 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.612 9.494 -4.398 1.00 0.63 C ATOM 314 CD2 TYR A 38 -14.069 11.709 -3.707 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.958 9.794 -4.317 1.00 0.67 C ATOM 316 CE2 TYR A 38 -15.413 12.015 -3.618 1.00 0.63 C ATOM 317 CZ TYR A 38 -16.352 11.055 -3.925 1.00 0.65 C ATOM 318 OH TYR A 38 -17.694 11.362 -3.846 1.00 0.71 O ATOM 0 H TYR A 38 -12.195 8.343 -5.997 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.080 11.249 -6.019 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -12.004 9.089 -3.910 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.609 10.752 -3.524 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -14.306 8.504 -4.702 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -13.335 12.465 -3.471 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.697 9.045 -4.559 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -15.726 13.002 -3.309 1.00 0.63 H new ATOM 0 HH TYR A 38 -17.800 12.291 -3.554 1.00 0.71 H new ATOM 328 N PHE A 39 -9.416 9.410 -5.879 1.00 0.57 N ATOM 329 CA PHE A 39 -7.977 9.450 -6.054 1.00 0.57 C ATOM 330 C PHE A 39 -7.624 10.329 -7.247 1.00 0.63 C ATOM 331 O PHE A 39 -6.789 11.231 -7.149 1.00 0.67 O ATOM 332 CB PHE A 39 -7.451 8.028 -6.260 1.00 0.58 C ATOM 333 CG PHE A 39 -5.987 7.952 -6.562 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.054 7.962 -5.540 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.545 7.869 -7.870 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.706 7.888 -5.818 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.200 7.795 -8.156 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.275 7.806 -7.128 1.00 0.65 C ATOM 0 H PHE A 39 -9.817 8.475 -5.946 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.512 9.874 -5.164 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.656 7.443 -5.363 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.003 7.563 -7.077 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.385 8.028 -4.514 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.263 7.862 -8.677 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.987 7.894 -5.012 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.868 7.728 -9.182 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.219 7.751 -7.349 1.00 0.65 H new ATOM 348 N LYS A 40 -8.285 10.073 -8.369 1.00 0.66 N ATOM 349 CA LYS A 40 -8.092 10.866 -9.571 1.00 0.74 C ATOM 350 C LYS A 40 -8.789 12.219 -9.432 1.00 0.73 C ATOM 351 O LYS A 40 -8.455 13.173 -10.131 1.00 0.79 O ATOM 352 CB LYS A 40 -8.604 10.106 -10.800 1.00 0.82 C ATOM 353 CG LYS A 40 -10.093 9.805 -10.761 1.00 1.18 C ATOM 354 CD LYS A 40 -10.484 8.742 -11.777 1.00 1.09 C ATOM 355 CE LYS A 40 -10.179 9.172 -13.203 1.00 1.56 C ATOM 356 NZ LYS A 40 -10.663 8.177 -14.195 1.00 2.26 N ATOM 0 H LYS A 40 -8.963 9.317 -8.469 1.00 0.66 H new ATOM 0 HA LYS A 40 -7.026 11.047 -9.706 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.385 10.690 -11.694 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.056 9.168 -10.890 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.370 9.471 -9.761 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.653 10.719 -10.958 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.951 7.817 -11.556 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -11.548 8.527 -11.684 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.646 10.137 -13.399 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -9.104 9.308 -13.320 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -10.437 8.506 -15.155 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -10.199 7.262 -14.024 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.693 8.066 -14.101 1.00 2.26 H new ATOM 370 N ALA A 41 -9.752 12.298 -8.514 1.00 0.68 N ATOM 371 CA ALA A 41 -10.400 13.567 -8.197 1.00 0.70 C ATOM 372 C ALA A 41 -9.529 14.392 -7.258 1.00 0.71 C ATOM 373 O ALA A 41 -9.872 15.521 -6.907 1.00 0.78 O ATOM 374 CB ALA A 41 -11.761 13.349 -7.562 1.00 0.68 C ATOM 0 H ALA A 41 -10.098 11.501 -7.980 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.536 14.107 -9.134 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -12.217 14.314 -7.338 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.400 12.797 -8.251 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.645 12.780 -6.640 1.00 0.68 H new ATOM 380 N LYS A 42 -8.428 13.781 -6.818 1.00 0.68 N ATOM 381 CA LYS A 42 -7.415 14.442 -5.999 1.00 0.70 C ATOM 382 C LYS A 42 -7.877 14.613 -4.556 1.00 0.66 C ATOM 383 O LYS A 42 -7.269 15.355 -3.783 1.00 0.70 O ATOM 384 CB LYS A 42 -7.011 15.792 -6.599 1.00 0.82 C ATOM 385 CG LYS A 42 -6.320 15.681 -7.948 1.00 0.96 C ATOM 386 CD LYS A 42 -5.087 14.798 -7.869 1.00 1.41 C ATOM 387 CE LYS A 42 -4.391 14.686 -9.216 1.00 1.57 C ATOM 388 NZ LYS A 42 -3.859 15.994 -9.676 1.00 2.30 N ATOM 0 H LYS A 42 -8.214 12.805 -7.023 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.538 13.794 -5.992 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.901 16.412 -6.707 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.348 16.305 -5.902 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -7.015 15.273 -8.682 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -6.036 16.674 -8.296 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.394 15.206 -7.133 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -5.372 13.805 -7.522 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.575 13.967 -9.144 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -5.092 14.299 -9.956 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -3.223 15.845 -10.485 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.648 16.608 -9.964 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -3.333 16.447 -8.901 1.00 2.30 H new ATOM 402 N ASP A 43 -8.931 13.900 -4.185 1.00 0.61 N ATOM 403 CA ASP A 43 -9.399 13.905 -2.806 1.00 0.58 C ATOM 404 C ASP A 43 -9.029 12.586 -2.152 1.00 0.52 C ATOM 405 O ASP A 43 -9.841 11.661 -2.070 1.00 0.54 O ATOM 406 CB ASP A 43 -10.908 14.112 -2.718 1.00 0.61 C ATOM 407 CG ASP A 43 -11.327 14.704 -1.384 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.216 14.014 -0.348 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.779 15.867 -1.364 1.00 0.73 O ATOM 0 H ASP A 43 -9.476 13.313 -4.816 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.920 14.736 -2.289 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.231 14.771 -3.524 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.414 13.158 -2.865 1.00 0.61 H new ATOM 414 N TYR A 44 -7.785 12.492 -1.727 1.00 0.48 N ATOM 415 CA TYR A 44 -7.246 11.255 -1.193 1.00 0.45 C ATOM 416 C TYR A 44 -7.856 10.897 0.156 1.00 0.44 C ATOM 417 O TYR A 44 -7.848 9.736 0.550 1.00 0.43 O ATOM 418 CB TYR A 44 -5.736 11.376 -1.076 1.00 0.45 C ATOM 419 CG TYR A 44 -5.081 11.753 -2.382 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.994 10.841 -3.424 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.561 13.026 -2.578 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.410 11.187 -4.627 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.972 13.379 -3.777 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.899 12.454 -4.797 1.00 0.64 C ATOM 425 OH TYR A 44 -3.320 12.798 -5.997 1.00 0.75 O ATOM 0 H TYR A 44 -7.121 13.266 -1.741 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.503 10.449 -1.881 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.493 12.125 -0.322 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.325 10.428 -0.728 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.389 9.845 -3.292 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.618 13.752 -1.780 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.355 10.467 -5.430 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.572 14.373 -3.914 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.010 13.727 -5.956 1.00 0.75 H new ATOM 435 N GLU A 45 -8.399 11.883 0.852 1.00 0.48 N ATOM 436 CA GLU A 45 -8.995 11.644 2.162 1.00 0.50 C ATOM 437 C GLU A 45 -10.423 11.127 2.032 1.00 0.46 C ATOM 438 O GLU A 45 -10.872 10.334 2.856 1.00 0.43 O ATOM 439 CB GLU A 45 -8.940 12.901 3.024 1.00 0.61 C ATOM 440 CG GLU A 45 -8.771 14.167 2.216 1.00 0.76 C ATOM 441 CD GLU A 45 -8.799 15.417 3.071 1.00 0.87 C ATOM 442 OE1 GLU A 45 -7.775 15.723 3.718 1.00 1.17 O ATOM 443 OE2 GLU A 45 -9.843 16.102 3.095 1.00 1.47 O ATOM 0 H GLU A 45 -8.441 12.852 0.536 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.409 10.871 2.660 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.855 12.972 3.612 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -8.114 12.815 3.730 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.826 14.124 1.675 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -9.563 14.225 1.470 1.00 0.76 H new ATOM 450 N ASN A 46 -11.144 11.567 1.004 1.00 0.48 N ATOM 451 CA ASN A 46 -12.410 10.932 0.674 1.00 0.48 C ATOM 452 C ASN A 46 -12.147 9.505 0.246 1.00 0.43 C ATOM 453 O ASN A 46 -12.875 8.593 0.617 1.00 0.43 O ATOM 454 CB ASN A 46 -13.158 11.662 -0.441 1.00 0.53 C ATOM 455 CG ASN A 46 -14.257 12.566 0.075 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.394 12.136 0.271 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.935 13.826 0.277 1.00 0.63 N ATOM 0 H ASN A 46 -10.879 12.344 0.399 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.039 10.965 1.564 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.449 12.255 -1.018 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.589 10.928 -1.122 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.639 14.486 0.608 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.981 14.143 0.103 1.00 0.63 H new ATOM 464 N ALA A 47 -11.091 9.322 -0.535 1.00 0.41 N ATOM 465 CA ALA A 47 -10.645 7.994 -0.916 1.00 0.38 C ATOM 466 C ALA A 47 -10.337 7.170 0.334 1.00 0.34 C ATOM 467 O ALA A 47 -10.750 6.017 0.447 1.00 0.32 O ATOM 468 CB ALA A 47 -9.429 8.095 -1.825 1.00 0.40 C ATOM 0 H ALA A 47 -10.527 10.081 -0.917 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.438 7.489 -1.468 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.101 7.094 -2.106 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.691 8.656 -2.722 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.623 8.607 -1.299 1.00 0.40 H new ATOM 474 N ILE A 48 -9.622 7.789 1.273 1.00 0.34 N ATOM 475 CA ILE A 48 -9.389 7.219 2.601 1.00 0.32 C ATOM 476 C ILE A 48 -10.707 6.784 3.242 1.00 0.29 C ATOM 477 O ILE A 48 -10.823 5.677 3.777 1.00 0.28 O ATOM 478 CB ILE A 48 -8.679 8.259 3.511 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.190 8.340 3.176 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.878 7.951 4.987 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.456 9.442 3.911 1.00 0.42 C ATOM 0 H ILE A 48 -9.187 8.701 1.135 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.750 6.343 2.490 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.137 9.229 3.315 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.722 7.384 3.412 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.077 8.494 2.103 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.365 8.702 5.588 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.943 7.964 5.221 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.469 6.966 5.212 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.405 9.436 3.621 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -6.897 10.406 3.656 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.537 9.279 4.986 1.00 0.42 H new ATOM 493 N LYS A 49 -11.695 7.659 3.165 1.00 0.31 N ATOM 494 CA LYS A 49 -13.017 7.397 3.711 1.00 0.32 C ATOM 495 C LYS A 49 -13.685 6.213 3.017 1.00 0.27 C ATOM 496 O LYS A 49 -14.177 5.304 3.677 1.00 0.27 O ATOM 497 CB LYS A 49 -13.879 8.650 3.578 1.00 0.39 C ATOM 498 CG LYS A 49 -15.336 8.446 3.949 1.00 0.44 C ATOM 499 CD LYS A 49 -16.098 9.757 3.897 1.00 0.63 C ATOM 500 CE LYS A 49 -16.369 10.183 2.468 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.136 11.451 2.409 1.00 1.50 N ATOM 0 H LYS A 49 -11.604 8.573 2.721 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.910 7.138 4.764 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.461 9.433 4.210 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.824 9.007 2.550 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.792 7.729 3.267 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.404 8.021 4.950 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.042 9.652 4.432 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.526 10.532 4.407 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.424 10.305 1.939 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.923 9.398 1.953 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -16.734 12.066 1.673 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.130 11.245 2.183 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -17.083 11.932 3.330 1.00 1.50 H new ATOM 515 N PHE A 50 -13.691 6.218 1.690 1.00 0.27 N ATOM 516 CA PHE A 50 -14.325 5.146 0.927 1.00 0.27 C ATOM 517 C PHE A 50 -13.621 3.814 1.149 1.00 0.23 C ATOM 518 O PHE A 50 -14.266 2.769 1.192 1.00 0.25 O ATOM 519 CB PHE A 50 -14.375 5.486 -0.563 1.00 0.35 C ATOM 520 CG PHE A 50 -15.474 6.453 -0.907 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.284 7.818 -0.779 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.703 5.991 -1.350 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.296 8.705 -1.079 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.720 6.875 -1.655 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.516 8.234 -1.520 1.00 0.66 C ATOM 0 H PHE A 50 -13.266 6.949 1.120 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.348 5.049 1.290 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.417 5.910 -0.866 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.513 4.569 -1.135 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.330 8.193 -0.439 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.868 4.929 -1.458 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.134 9.767 -0.969 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.674 6.503 -1.999 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.309 8.927 -1.759 1.00 0.66 H new ATOM 535 N TYR A 51 -12.307 3.849 1.304 1.00 0.23 N ATOM 536 CA TYR A 51 -11.569 2.646 1.648 1.00 0.25 C ATOM 537 C TYR A 51 -11.970 2.157 3.031 1.00 0.21 C ATOM 538 O TYR A 51 -12.125 0.961 3.256 1.00 0.23 O ATOM 539 CB TYR A 51 -10.064 2.884 1.588 1.00 0.31 C ATOM 540 CG TYR A 51 -9.530 2.970 0.184 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.008 2.118 -0.801 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.555 3.896 -0.161 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.530 2.184 -2.090 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.070 3.969 -1.452 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.562 3.107 -2.412 1.00 0.72 C ATOM 546 OH TYR A 51 -8.096 3.171 -3.697 1.00 0.88 O ATOM 0 H TYR A 51 -11.736 4.687 1.198 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.818 1.879 0.915 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.828 3.808 2.116 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.554 2.077 2.114 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.767 1.391 -0.552 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.170 4.569 0.591 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.913 1.514 -2.845 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.312 4.694 -1.709 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.327 2.572 -3.796 1.00 0.88 H new ATOM 556 N SER A 52 -12.157 3.094 3.949 1.00 0.20 N ATOM 557 CA SER A 52 -12.621 2.768 5.284 1.00 0.22 C ATOM 558 C SER A 52 -14.032 2.200 5.221 1.00 0.22 C ATOM 559 O SER A 52 -14.360 1.242 5.920 1.00 0.23 O ATOM 560 CB SER A 52 -12.579 4.009 6.171 1.00 0.25 C ATOM 561 OG SER A 52 -11.268 4.551 6.216 1.00 0.56 O ATOM 0 H SER A 52 -11.993 4.088 3.790 1.00 0.20 H new ATOM 0 HA SER A 52 -11.963 2.013 5.716 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.274 4.757 5.790 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.906 3.753 7.179 1.00 0.25 H new ATOM 0 HG SER A 52 -11.115 5.104 5.422 1.00 0.56 H new ATOM 567 N GLN A 53 -14.852 2.783 4.358 1.00 0.24 N ATOM 568 CA GLN A 53 -16.209 2.311 4.135 1.00 0.27 C ATOM 569 C GLN A 53 -16.203 0.892 3.559 1.00 0.26 C ATOM 570 O GLN A 53 -17.091 0.088 3.844 1.00 0.30 O ATOM 571 CB GLN A 53 -16.950 3.284 3.213 1.00 0.31 C ATOM 572 CG GLN A 53 -17.333 4.583 3.896 1.00 0.37 C ATOM 573 CD GLN A 53 -18.150 5.499 3.008 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.865 5.048 2.117 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.069 6.791 3.266 1.00 0.94 N ATOM 0 H GLN A 53 -14.595 3.594 3.795 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.734 2.272 5.090 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.322 3.506 2.351 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.851 2.801 2.835 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.901 4.359 4.799 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.428 5.103 4.210 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.463 7.124 4.015 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.613 7.456 2.716 1.00 0.94 H new ATOM 584 N ALA A 54 -15.185 0.581 2.767 1.00 0.23 N ATOM 585 CA ALA A 54 -14.986 -0.775 2.270 1.00 0.24 C ATOM 586 C ALA A 54 -14.672 -1.733 3.421 1.00 0.23 C ATOM 587 O ALA A 54 -15.032 -2.907 3.379 1.00 0.25 O ATOM 588 CB ALA A 54 -13.869 -0.802 1.237 1.00 0.25 C ATOM 0 H ALA A 54 -14.482 1.251 2.454 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.909 -1.104 1.793 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.732 -1.821 0.875 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.130 -0.152 0.402 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.943 -0.452 1.693 1.00 0.25 H new ATOM 594 N ILE A 55 -14.013 -1.212 4.454 1.00 0.22 N ATOM 595 CA ILE A 55 -13.677 -1.993 5.650 1.00 0.22 C ATOM 596 C ILE A 55 -14.878 -2.043 6.590 1.00 0.24 C ATOM 597 O ILE A 55 -14.883 -2.734 7.610 1.00 0.27 O ATOM 598 CB ILE A 55 -12.479 -1.374 6.394 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.354 -1.071 5.410 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.980 -2.308 7.491 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.349 -0.089 5.953 1.00 0.28 C ATOM 0 H ILE A 55 -13.697 -0.243 4.489 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.411 -3.001 5.332 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.806 -0.444 6.860 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.844 -1.999 5.151 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.781 -0.674 4.489 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.134 -1.849 8.002 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.782 -2.489 8.207 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.667 -3.254 7.049 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.573 0.087 5.208 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.848 0.851 6.186 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.897 -0.494 6.859 1.00 0.28 H new ATOM 613 N GLU A 56 -15.892 -1.280 6.248 1.00 0.27 N ATOM 614 CA GLU A 56 -17.163 -1.359 6.935 1.00 0.31 C ATOM 615 C GLU A 56 -17.994 -2.470 6.316 1.00 0.31 C ATOM 616 O GLU A 56 -18.798 -3.117 6.987 1.00 0.34 O ATOM 617 CB GLU A 56 -17.885 -0.022 6.827 1.00 0.34 C ATOM 618 CG GLU A 56 -17.047 1.141 7.322 1.00 0.36 C ATOM 619 CD GLU A 56 -17.001 1.217 8.831 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.914 1.828 9.424 1.00 0.78 O ATOM 621 OE2 GLU A 56 -16.051 0.676 9.432 1.00 0.81 O ATOM 0 H GLU A 56 -15.861 -0.594 5.494 1.00 0.27 H new ATOM 0 HA GLU A 56 -17.005 -1.582 7.990 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.162 0.153 5.788 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.811 -0.067 7.401 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -16.033 1.045 6.935 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.453 2.072 6.926 1.00 0.36 H new ATOM 628 N LEU A 57 -17.762 -2.699 5.030 1.00 0.31 N ATOM 629 CA LEU A 57 -18.472 -3.726 4.287 1.00 0.33 C ATOM 630 C LEU A 57 -17.778 -5.077 4.440 1.00 0.33 C ATOM 631 O LEU A 57 -18.394 -6.046 4.871 1.00 0.40 O ATOM 632 CB LEU A 57 -18.569 -3.317 2.819 1.00 0.34 C ATOM 633 CG LEU A 57 -19.144 -1.916 2.599 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.207 -1.580 1.134 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.513 -1.791 3.240 1.00 0.40 C ATOM 0 H LEU A 57 -17.080 -2.180 4.477 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.480 -3.829 4.688 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.576 -3.365 2.373 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.191 -4.040 2.291 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.476 -1.200 3.078 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.619 -0.579 1.008 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.204 -1.615 0.709 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.843 -2.302 0.622 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.903 -0.787 3.072 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.190 -2.522 2.798 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.431 -1.973 4.312 1.00 0.40 H new ATOM 647 N ASN A 58 -16.496 -5.141 4.096 1.00 0.29 N ATOM 648 CA ASN A 58 -15.696 -6.316 4.392 1.00 0.30 C ATOM 649 C ASN A 58 -14.851 -5.970 5.612 1.00 0.30 C ATOM 650 O ASN A 58 -14.804 -4.813 5.991 1.00 0.34 O ATOM 651 CB ASN A 58 -14.826 -6.598 3.145 1.00 0.35 C ATOM 652 CG ASN A 58 -13.748 -7.648 3.340 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.641 -7.341 3.767 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.053 -8.890 3.003 1.00 0.57 N ATOM 0 H ASN A 58 -15.994 -4.395 3.614 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.286 -7.206 4.610 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.477 -6.914 2.330 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.353 -5.667 2.832 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.356 -9.629 3.095 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -14.985 -9.109 2.651 1.00 0.57 H new ATOM 661 N PRO A 59 -14.190 -6.921 6.265 1.00 0.31 N ATOM 662 CA PRO A 59 -13.214 -6.605 7.289 1.00 0.35 C ATOM 663 C PRO A 59 -11.754 -6.869 6.912 1.00 0.35 C ATOM 664 O PRO A 59 -11.030 -5.963 6.493 1.00 0.35 O ATOM 665 CB PRO A 59 -13.687 -7.513 8.410 1.00 0.41 C ATOM 666 CG PRO A 59 -14.277 -8.724 7.721 1.00 0.41 C ATOM 667 CD PRO A 59 -14.491 -8.349 6.266 1.00 0.34 C ATOM 0 HA PRO A 59 -13.180 -5.540 7.520 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.861 -7.795 9.063 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.429 -7.014 9.033 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.606 -9.579 7.804 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.219 -9.012 8.187 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.829 -8.904 5.601 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.512 -8.550 5.940 1.00 0.34 H new ATOM 675 N SER A 60 -11.333 -8.117 7.073 1.00 0.44 N ATOM 676 CA SER A 60 -9.935 -8.488 6.951 1.00 0.49 C ATOM 677 C SER A 60 -9.526 -8.589 5.487 1.00 0.49 C ATOM 678 O SER A 60 -9.464 -9.681 4.916 1.00 0.68 O ATOM 679 CB SER A 60 -9.690 -9.819 7.672 1.00 0.63 C ATOM 680 OG SER A 60 -8.356 -9.920 8.142 1.00 1.52 O ATOM 0 H SER A 60 -11.953 -8.897 7.291 1.00 0.44 H new ATOM 0 HA SER A 60 -9.325 -7.713 7.415 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.380 -9.911 8.511 1.00 0.63 H new ATOM 0 HB3 SER A 60 -9.901 -10.645 6.993 1.00 0.63 H new ATOM 0 HG SER A 60 -8.234 -10.779 8.598 1.00 1.52 H new ATOM 686 N ASN A 61 -9.305 -7.441 4.871 1.00 0.43 N ATOM 687 CA ASN A 61 -8.835 -7.397 3.502 1.00 0.45 C ATOM 688 C ASN A 61 -7.565 -6.565 3.407 1.00 0.38 C ATOM 689 O ASN A 61 -7.602 -5.333 3.522 1.00 0.34 O ATOM 690 CB ASN A 61 -9.911 -6.827 2.581 1.00 0.48 C ATOM 691 CG ASN A 61 -9.614 -7.079 1.115 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.459 -7.196 0.712 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.659 -7.170 0.308 1.00 1.07 N ATOM 0 H ASN A 61 -9.445 -6.526 5.300 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.613 -8.415 3.182 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.874 -7.270 2.835 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.999 -5.754 2.751 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.521 -7.343 -0.688 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.602 -7.067 0.682 1.00 1.07 H new ATOM 700 N ALA A 62 -6.444 -7.248 3.195 1.00 0.42 N ATOM 701 CA ALA A 62 -5.144 -6.592 3.077 1.00 0.42 C ATOM 702 C ALA A 62 -5.164 -5.529 1.988 1.00 0.37 C ATOM 703 O ALA A 62 -4.445 -4.533 2.069 1.00 0.38 O ATOM 704 CB ALA A 62 -4.060 -7.617 2.787 1.00 0.52 C ATOM 0 H ALA A 62 -6.409 -8.263 3.101 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.926 -6.103 4.026 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.097 -7.114 2.702 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.019 -8.343 3.599 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.285 -8.130 1.852 1.00 0.52 H new ATOM 710 N ILE A 63 -5.998 -5.743 0.978 1.00 0.36 N ATOM 711 CA ILE A 63 -6.137 -4.799 -0.117 1.00 0.35 C ATOM 712 C ILE A 63 -6.618 -3.450 0.394 1.00 0.31 C ATOM 713 O ILE A 63 -5.984 -2.435 0.143 1.00 0.34 O ATOM 714 CB ILE A 63 -7.114 -5.321 -1.196 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.558 -6.599 -1.822 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.364 -4.270 -2.271 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.227 -6.397 -2.507 1.00 0.74 C ATOM 0 H ILE A 63 -6.591 -6.569 0.897 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.152 -4.683 -0.570 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.068 -5.540 -0.717 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.449 -7.358 -1.047 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.277 -6.984 -2.545 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.055 -4.667 -3.015 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.795 -3.379 -1.815 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.421 -4.011 -2.753 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.888 -7.343 -2.930 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.336 -5.661 -3.304 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.495 -6.041 -1.782 1.00 0.74 H new ATOM 729 N TYR A 64 -7.702 -3.449 1.158 1.00 0.29 N ATOM 730 CA TYR A 64 -8.319 -2.195 1.581 1.00 0.28 C ATOM 731 C TYR A 64 -7.420 -1.425 2.536 1.00 0.30 C ATOM 732 O TYR A 64 -7.380 -0.194 2.507 1.00 0.34 O ATOM 733 CB TYR A 64 -9.674 -2.455 2.228 1.00 0.26 C ATOM 734 CG TYR A 64 -10.667 -3.089 1.285 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.650 -2.789 -0.072 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.607 -3.999 1.744 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.542 -3.378 -0.944 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.498 -4.596 0.879 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.463 -4.283 -0.465 1.00 0.35 C ATOM 740 OH TYR A 64 -13.346 -4.879 -1.333 1.00 0.42 O ATOM 0 H TYR A 64 -8.169 -4.291 1.495 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.464 -1.584 0.690 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.538 -3.104 3.094 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.081 -1.513 2.596 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.926 -2.083 -0.450 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.641 -4.244 2.795 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.518 -3.131 -1.995 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.221 -5.306 1.251 1.00 0.43 H new ATOM 0 HH TYR A 64 -12.873 -5.145 -2.149 1.00 0.42 H new ATOM 750 N TYR A 65 -6.693 -2.146 3.373 1.00 0.30 N ATOM 751 CA TYR A 65 -5.763 -1.512 4.295 1.00 0.32 C ATOM 752 C TYR A 65 -4.521 -1.004 3.559 1.00 0.33 C ATOM 753 O TYR A 65 -3.931 0.005 3.946 1.00 0.37 O ATOM 754 CB TYR A 65 -5.397 -2.471 5.427 1.00 0.34 C ATOM 755 CG TYR A 65 -6.431 -2.502 6.538 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.624 -3.213 6.408 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.211 -1.810 7.721 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.561 -3.228 7.426 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.141 -1.823 8.741 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.313 -2.532 8.589 1.00 0.47 C ATOM 761 OH TYR A 65 -9.239 -2.542 9.605 1.00 0.55 O ATOM 0 H TYR A 65 -6.727 -3.164 3.434 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.252 -0.644 4.738 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.279 -3.475 5.020 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.433 -2.180 5.844 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.820 -3.761 5.498 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.295 -1.251 7.846 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.481 -3.782 7.310 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.951 -1.280 9.655 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.909 -2.003 10.354 1.00 0.55 H new ATOM 771 N GLY A 66 -4.144 -1.687 2.481 1.00 0.35 N ATOM 772 CA GLY A 66 -3.056 -1.214 1.650 1.00 0.41 C ATOM 773 C GLY A 66 -3.493 -0.029 0.816 1.00 0.43 C ATOM 774 O GLY A 66 -2.729 0.916 0.606 1.00 0.51 O ATOM 0 H GLY A 66 -4.574 -2.558 2.170 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.210 -0.931 2.277 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.715 -2.018 0.997 1.00 0.41 H new ATOM 778 N ASN A 67 -4.737 -0.084 0.356 1.00 0.44 N ATOM 779 CA ASN A 67 -5.363 1.026 -0.354 1.00 0.57 C ATOM 780 C ASN A 67 -5.327 2.280 0.502 1.00 0.41 C ATOM 781 O ASN A 67 -4.924 3.349 0.039 1.00 0.38 O ATOM 782 CB ASN A 67 -6.819 0.698 -0.696 1.00 0.84 C ATOM 783 CG ASN A 67 -6.980 -0.356 -1.774 1.00 1.28 C ATOM 784 OD1 ASN A 67 -7.939 -1.125 -1.754 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.066 -0.391 -2.728 1.00 1.35 N ATOM 0 H ASN A 67 -5.341 -0.899 0.464 1.00 0.44 H new ATOM 0 HA ASN A 67 -4.807 1.193 -1.277 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.325 0.358 0.207 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.320 1.611 -1.018 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.142 -1.073 -3.483 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.284 0.264 -2.710 1.00 1.35 H new ATOM 792 N ARG A 68 -5.758 2.146 1.757 1.00 0.39 N ATOM 793 CA ARG A 68 -5.705 3.254 2.696 1.00 0.39 C ATOM 794 C ARG A 68 -4.278 3.750 2.845 1.00 0.31 C ATOM 795 O ARG A 68 -4.037 4.952 2.807 1.00 0.32 O ATOM 796 CB ARG A 68 -6.264 2.871 4.071 1.00 0.53 C ATOM 797 CG ARG A 68 -7.778 2.769 4.111 1.00 0.80 C ATOM 798 CD ARG A 68 -8.335 3.356 5.400 1.00 0.48 C ATOM 799 NE ARG A 68 -7.802 2.693 6.587 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.384 2.707 7.784 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.542 3.331 7.971 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.791 2.098 8.795 1.00 1.87 N ATOM 0 H ARG A 68 -6.145 1.283 2.140 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.330 4.050 2.291 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -5.837 1.915 4.373 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -5.940 3.610 4.803 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -8.203 3.294 3.256 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.077 1.724 4.025 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.099 4.419 5.444 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.422 3.270 5.396 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.923 2.184 6.492 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.996 3.807 7.192 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.977 3.334 8.894 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.899 1.625 8.653 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.226 2.101 9.718 1.00 1.87 H new ATOM 816 N SER A 69 -3.342 2.817 2.998 1.00 0.31 N ATOM 817 CA SER A 69 -1.930 3.154 3.127 1.00 0.32 C ATOM 818 C SER A 69 -1.495 4.093 2.002 1.00 0.27 C ATOM 819 O SER A 69 -0.883 5.121 2.257 1.00 0.27 O ATOM 820 CB SER A 69 -1.081 1.876 3.121 1.00 0.43 C ATOM 821 OG SER A 69 0.295 2.162 3.303 1.00 1.16 O ATOM 0 H SER A 69 -3.539 1.817 3.036 1.00 0.31 H new ATOM 0 HA SER A 69 -1.780 3.669 4.076 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.422 1.208 3.912 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.222 1.350 2.177 1.00 0.43 H new ATOM 0 HG SER A 69 0.489 2.238 4.260 1.00 1.16 H new ATOM 827 N LEU A 70 -1.851 3.751 0.767 1.00 0.28 N ATOM 828 CA LEU A 70 -1.502 4.573 -0.391 1.00 0.31 C ATOM 829 C LEU A 70 -2.176 5.950 -0.317 1.00 0.31 C ATOM 830 O LEU A 70 -1.565 6.966 -0.645 1.00 0.38 O ATOM 831 CB LEU A 70 -1.884 3.836 -1.685 1.00 0.36 C ATOM 832 CG LEU A 70 -1.267 4.379 -2.986 1.00 0.46 C ATOM 833 CD1 LEU A 70 -1.999 5.622 -3.470 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.213 4.674 -2.792 1.00 1.16 C ATOM 0 H LEU A 70 -2.381 2.910 0.541 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.425 4.741 -0.389 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.597 2.790 -1.581 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.969 3.860 -1.785 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.373 3.610 -3.751 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.538 5.980 -4.391 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.045 5.378 -3.658 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -1.939 6.399 -2.708 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.633 5.057 -3.722 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.336 5.418 -2.005 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.733 3.758 -2.510 1.00 1.16 H new ATOM 846 N ALA A 71 -3.425 5.988 0.125 1.00 0.26 N ATOM 847 CA ALA A 71 -4.150 7.244 0.260 1.00 0.30 C ATOM 848 C ALA A 71 -3.514 8.105 1.347 1.00 0.29 C ATOM 849 O ALA A 71 -3.407 9.325 1.212 1.00 0.36 O ATOM 850 CB ALA A 71 -5.612 6.974 0.568 1.00 0.32 C ATOM 0 H ALA A 71 -3.958 5.162 0.397 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.095 7.789 -0.682 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.144 7.920 0.667 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.053 6.393 -0.242 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.690 6.415 1.500 1.00 0.32 H new ATOM 856 N TYR A 72 -3.086 7.454 2.421 1.00 0.25 N ATOM 857 CA TYR A 72 -2.339 8.122 3.474 1.00 0.25 C ATOM 858 C TYR A 72 -0.978 8.567 2.943 1.00 0.26 C ATOM 859 O TYR A 72 -0.481 9.634 3.288 1.00 0.30 O ATOM 860 CB TYR A 72 -2.153 7.195 4.683 1.00 0.25 C ATOM 861 CG TYR A 72 -3.425 6.906 5.459 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.169 7.935 6.021 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.876 5.604 5.633 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.325 7.671 6.732 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.030 5.335 6.341 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.750 6.370 6.888 1.00 0.43 C ATOM 867 OH TYR A 72 -6.901 6.101 7.593 1.00 0.52 O ATOM 0 H TYR A 72 -3.245 6.460 2.584 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.904 8.997 3.796 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.731 6.251 4.339 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.424 7.643 5.359 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.840 8.957 5.901 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.313 4.787 5.206 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.893 8.482 7.164 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.366 4.316 6.465 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.058 5.134 7.607 1.00 0.52 H new ATOM 877 N LEU A 73 -0.394 7.743 2.093 1.00 0.26 N ATOM 878 CA LEU A 73 0.875 8.047 1.446 1.00 0.30 C ATOM 879 C LEU A 73 0.764 9.298 0.576 1.00 0.37 C ATOM 880 O LEU A 73 1.682 10.118 0.525 1.00 0.50 O ATOM 881 CB LEU A 73 1.329 6.833 0.630 1.00 0.31 C ATOM 882 CG LEU A 73 2.049 5.761 1.452 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.046 4.423 0.733 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.479 6.186 1.739 1.00 0.43 C ATOM 0 H LEU A 73 -0.786 6.839 1.829 1.00 0.26 H new ATOM 0 HA LEU A 73 1.625 8.258 2.208 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.459 6.385 0.151 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.992 7.171 -0.166 1.00 0.31 H new ATOM 0 HG LEU A 73 1.512 5.647 2.393 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.564 3.682 1.341 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.018 4.101 0.567 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.554 4.524 -0.226 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.978 5.413 2.324 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.012 6.330 0.799 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.475 7.120 2.300 1.00 0.43 H new ATOM 896 N ARG A 74 -0.375 9.452 -0.083 1.00 0.38 N ATOM 897 CA ARG A 74 -0.633 10.635 -0.896 1.00 0.48 C ATOM 898 C ARG A 74 -0.790 11.875 -0.027 1.00 0.53 C ATOM 899 O ARG A 74 -0.355 12.966 -0.394 1.00 0.67 O ATOM 900 CB ARG A 74 -1.902 10.458 -1.724 1.00 0.51 C ATOM 901 CG ARG A 74 -1.828 9.347 -2.749 1.00 0.48 C ATOM 902 CD ARG A 74 -0.657 9.548 -3.696 1.00 1.19 C ATOM 903 NE ARG A 74 -0.760 10.809 -4.435 1.00 1.95 N ATOM 904 CZ ARG A 74 -0.310 10.989 -5.677 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.313 10.003 -6.311 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.471 12.163 -6.276 1.00 3.53 N ATOM 0 H ARG A 74 -1.136 8.773 -0.072 1.00 0.38 H new ATOM 0 HA ARG A 74 0.224 10.762 -1.558 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.736 10.260 -1.051 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.121 11.395 -2.236 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.728 8.387 -2.242 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.757 9.312 -3.318 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.274 9.535 -3.129 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.613 8.717 -4.400 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.205 11.600 -3.969 1.00 1.95 H new ATOM 0 HH11 ARG A 74 0.449 9.104 -5.848 1.00 3.07 H new ATOM 0 HH12 ARG A 74 0.656 10.144 -7.261 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.938 12.926 -5.786 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -0.127 12.302 -7.226 1.00 3.53 H new ATOM 920 N THR A 75 -1.415 11.698 1.123 1.00 0.48 N ATOM 921 CA THR A 75 -1.740 12.810 1.999 1.00 0.57 C ATOM 922 C THR A 75 -0.607 13.098 2.984 1.00 0.70 C ATOM 923 O THR A 75 -0.731 13.970 3.845 1.00 1.53 O ATOM 924 CB THR A 75 -3.048 12.525 2.763 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.990 11.223 3.360 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.244 12.585 1.829 1.00 0.49 C ATOM 0 H THR A 75 -1.710 10.787 1.474 1.00 0.48 H new ATOM 0 HA THR A 75 -1.875 13.694 1.376 1.00 0.57 H new ATOM 0 HB THR A 75 -3.161 13.286 3.535 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.532 11.280 4.224 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.155 12.381 2.391 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.308 13.577 1.383 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.129 11.840 1.042 1.00 0.49 H new ATOM 934 N GLU A 76 0.500 12.364 2.835 1.00 0.57 N ATOM 935 CA GLU A 76 1.674 12.514 3.698 1.00 0.59 C ATOM 936 C GLU A 76 1.340 12.112 5.133 1.00 0.42 C ATOM 937 O GLU A 76 1.955 12.568 6.097 1.00 0.45 O ATOM 938 CB GLU A 76 2.217 13.943 3.622 1.00 0.86 C ATOM 939 CG GLU A 76 2.579 14.356 2.203 1.00 1.85 C ATOM 940 CD GLU A 76 3.187 15.737 2.123 1.00 2.38 C ATOM 941 OE1 GLU A 76 2.607 16.680 2.697 1.00 2.71 O ATOM 942 OE2 GLU A 76 4.237 15.887 1.464 1.00 2.77 O ATOM 0 H GLU A 76 0.607 11.651 2.114 1.00 0.57 H new ATOM 0 HA GLU A 76 2.458 11.845 3.344 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.472 14.633 4.018 1.00 0.86 H new ATOM 0 HB3 GLU A 76 3.099 14.027 4.257 1.00 0.86 H new ATOM 0 HG2 GLU A 76 3.281 13.632 1.788 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.684 14.323 1.582 1.00 1.85 H new ATOM 949 N CYS A 77 0.384 11.206 5.237 1.00 0.32 N ATOM 950 CA CYS A 77 -0.065 10.639 6.497 1.00 0.32 C ATOM 951 C CYS A 77 0.669 9.343 6.783 1.00 0.32 C ATOM 952 O CYS A 77 0.084 8.393 7.296 1.00 0.35 O ATOM 953 CB CYS A 77 -1.560 10.366 6.442 1.00 0.33 C ATOM 954 SG CYS A 77 -2.578 11.836 6.209 1.00 0.37 S ATOM 0 H CYS A 77 -0.114 10.835 4.428 1.00 0.32 H new ATOM 0 HA CYS A 77 0.146 11.355 7.292 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.760 9.668 5.629 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.861 9.873 7.366 1.00 0.33 H new ATOM 0 HG CYS A 77 -1.977 12.656 5.398 1.00 0.37 H new ATOM 960 N TYR A 78 1.937 9.309 6.404 1.00 0.34 N ATOM 961 CA TYR A 78 2.752 8.099 6.456 1.00 0.38 C ATOM 962 C TYR A 78 2.673 7.379 7.805 1.00 0.41 C ATOM 963 O TYR A 78 2.862 6.169 7.863 1.00 0.43 O ATOM 964 CB TYR A 78 4.199 8.438 6.136 1.00 0.44 C ATOM 965 CG TYR A 78 4.351 9.306 4.913 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.653 9.014 3.754 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.184 10.418 4.916 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.782 9.796 2.627 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.319 11.208 3.789 1.00 0.66 C ATOM 970 CZ TYR A 78 4.612 10.891 2.647 1.00 0.66 C ATOM 971 OH TYR A 78 4.733 11.669 1.518 1.00 0.84 O ATOM 0 H TYR A 78 2.436 10.125 6.049 1.00 0.34 H new ATOM 0 HA TYR A 78 2.350 7.415 5.709 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.644 8.946 6.992 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.758 7.514 5.989 1.00 0.44 H new ATOM 0 HD1 TYR A 78 2.995 8.158 3.733 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.734 10.669 5.811 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.232 9.549 1.731 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.973 12.067 3.802 1.00 0.66 H new ATOM 0 HH TYR A 78 5.356 12.405 1.693 1.00 0.84 H new ATOM 981 N GLY A 79 2.397 8.115 8.879 1.00 0.43 N ATOM 982 CA GLY A 79 2.182 7.488 10.172 1.00 0.49 C ATOM 983 C GLY A 79 1.043 6.483 10.123 1.00 0.42 C ATOM 984 O GLY A 79 1.174 5.352 10.596 1.00 0.42 O ATOM 0 H GLY A 79 2.319 9.132 8.877 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.096 6.988 10.491 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.961 8.253 10.916 1.00 0.49 H new ATOM 988 N TYR A 80 -0.071 6.893 9.520 1.00 0.38 N ATOM 989 CA TYR A 80 -1.212 6.004 9.332 1.00 0.36 C ATOM 990 C TYR A 80 -0.908 4.995 8.233 1.00 0.30 C ATOM 991 O TYR A 80 -1.290 3.835 8.320 1.00 0.32 O ATOM 992 CB TYR A 80 -2.472 6.782 8.940 1.00 0.40 C ATOM 993 CG TYR A 80 -2.897 7.854 9.914 1.00 0.56 C ATOM 994 CD1 TYR A 80 -2.870 7.637 11.282 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.343 9.086 9.454 1.00 1.06 C ATOM 996 CE1 TYR A 80 -3.274 8.619 12.166 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.745 10.073 10.329 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.708 9.835 11.684 1.00 1.29 C ATOM 999 OH TYR A 80 -4.115 10.815 12.558 1.00 1.70 O ATOM 0 H TYR A 80 -0.206 7.835 9.154 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.390 5.496 10.280 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.306 7.244 7.967 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.293 6.075 8.822 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.528 6.686 11.663 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.376 9.275 8.391 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -3.250 8.435 13.230 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -4.087 11.026 9.954 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.389 11.610 12.054 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.220 5.463 7.194 1.00 0.28 N ATOM 1010 CA ALA A 81 0.122 4.628 6.044 1.00 0.28 C ATOM 1011 C ALA A 81 0.951 3.422 6.466 1.00 0.29 C ATOM 1012 O ALA A 81 0.633 2.285 6.119 1.00 0.33 O ATOM 1013 CB ALA A 81 0.874 5.446 5.006 1.00 0.31 C ATOM 0 H ALA A 81 0.114 6.424 7.125 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.806 4.262 5.605 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.123 4.813 4.154 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.248 6.274 4.672 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.790 5.839 5.446 1.00 0.31 H new ATOM 1019 N LEU A 82 2.006 3.685 7.227 1.00 0.30 N ATOM 1020 CA LEU A 82 2.882 2.639 7.733 1.00 0.34 C ATOM 1021 C LEU A 82 2.091 1.709 8.648 1.00 0.32 C ATOM 1022 O LEU A 82 2.238 0.485 8.589 1.00 0.37 O ATOM 1023 CB LEU A 82 4.072 3.294 8.468 1.00 0.42 C ATOM 1024 CG LEU A 82 5.234 2.379 8.894 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.857 1.505 10.074 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.698 1.521 7.733 1.00 0.52 C ATOM 0 H LEU A 82 2.277 4.627 7.509 1.00 0.30 H new ATOM 0 HA LEU A 82 3.276 2.038 6.913 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.477 4.074 7.824 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.686 3.786 9.361 1.00 0.42 H new ATOM 0 HG LEU A 82 6.056 3.024 9.205 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.704 0.874 10.344 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.588 2.135 10.922 1.00 0.49 H new ATOM 0 HD13 LEU A 82 4.008 0.877 9.805 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.520 0.883 8.058 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.872 0.900 7.386 1.00 0.52 H new ATOM 0 HD23 LEU A 82 6.037 2.162 6.919 1.00 0.52 H new ATOM 1038 N ASN A 83 1.234 2.298 9.473 1.00 0.32 N ATOM 1039 CA ASN A 83 0.404 1.532 10.398 1.00 0.39 C ATOM 1040 C ASN A 83 -0.537 0.588 9.645 1.00 0.38 C ATOM 1041 O ASN A 83 -0.548 -0.618 9.891 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.405 2.483 11.286 1.00 0.47 C ATOM 1043 CG ASN A 83 -1.281 1.753 12.287 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -0.845 1.436 13.396 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -2.528 1.501 11.917 1.00 2.09 N ATOM 0 H ASN A 83 1.095 3.307 9.521 1.00 0.32 H new ATOM 0 HA ASN A 83 1.061 0.927 11.023 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.278 3.142 11.821 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.031 3.116 10.657 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -3.165 1.029 12.559 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.851 1.779 10.990 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.306 1.144 8.715 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.297 0.374 7.963 1.00 0.45 C ATOM 1054 C ASP A 84 -1.644 -0.667 7.063 1.00 0.42 C ATOM 1055 O ASP A 84 -2.163 -1.770 6.903 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.188 1.305 7.139 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.380 1.802 7.929 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.187 2.555 8.910 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.519 1.425 7.587 1.00 1.19 O ATOM 0 H ASP A 84 -1.263 2.131 8.461 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.913 -0.158 8.688 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.601 2.157 6.795 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.537 0.779 6.250 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.503 -0.323 6.484 1.00 0.41 N ATOM 1065 CA ALA A 85 0.238 -1.266 5.658 1.00 0.43 C ATOM 1066 C ALA A 85 0.703 -2.452 6.495 1.00 0.42 C ATOM 1067 O ALA A 85 0.624 -3.605 6.067 1.00 0.42 O ATOM 1068 CB ALA A 85 1.418 -0.577 5.000 1.00 0.48 C ATOM 0 H ALA A 85 -0.071 0.597 6.570 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.422 -1.638 4.874 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.962 -1.295 4.386 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.059 0.239 4.373 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.082 -0.180 5.768 1.00 0.48 H new ATOM 1074 N THR A 86 1.164 -2.156 7.703 1.00 0.42 N ATOM 1075 CA THR A 86 1.538 -3.190 8.656 1.00 0.44 C ATOM 1076 C THR A 86 0.324 -4.045 9.006 1.00 0.43 C ATOM 1077 O THR A 86 0.419 -5.268 9.147 1.00 0.44 O ATOM 1078 CB THR A 86 2.112 -2.564 9.944 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.266 -1.773 9.630 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.480 -3.636 10.961 1.00 0.55 C ATOM 0 H THR A 86 1.288 -1.204 8.046 1.00 0.42 H new ATOM 0 HA THR A 86 2.303 -3.815 8.196 1.00 0.44 H new ATOM 0 HB THR A 86 1.344 -1.928 10.384 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.002 -1.023 9.057 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.882 -3.164 11.858 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.591 -4.212 11.221 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.231 -4.301 10.534 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.823 -3.391 9.117 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.059 -4.075 9.442 1.00 0.43 C ATOM 1090 C ARG A 87 -2.417 -5.065 8.343 1.00 0.39 C ATOM 1091 O ARG A 87 -2.899 -6.157 8.621 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.196 -3.074 9.635 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.397 -3.673 10.339 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.021 -4.160 11.726 1.00 0.71 C ATOM 1095 NE ARG A 87 -3.620 -3.057 12.599 1.00 1.63 N ATOM 1096 CZ ARG A 87 -2.539 -3.080 13.378 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -1.779 -4.166 13.433 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -2.224 -2.023 14.117 1.00 3.28 N ATOM 0 H ARG A 87 -0.920 -2.384 8.986 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.914 -4.618 10.376 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.831 -2.224 10.211 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.505 -2.691 8.662 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.190 -2.929 10.413 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.792 -4.502 9.752 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -4.868 -4.685 12.169 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.205 -4.879 11.650 1.00 0.71 H new ATOM 0 HE ARG A 87 -4.203 -2.220 12.612 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -2.021 -4.987 12.878 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -0.952 -4.180 14.030 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -2.810 -1.189 14.090 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -1.396 -2.045 14.712 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.168 -4.679 7.098 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.401 -5.568 5.965 1.00 0.38 C ATOM 1114 C ALA A 88 -1.550 -6.823 6.067 1.00 0.39 C ATOM 1115 O ALA A 88 -2.010 -7.905 5.736 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.124 -4.873 4.648 1.00 0.42 C ATOM 0 H ALA A 88 -1.806 -3.759 6.847 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.453 -5.851 5.995 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.308 -5.565 3.826 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.780 -4.008 4.548 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.085 -4.545 4.621 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.312 -6.675 6.527 1.00 0.42 N ATOM 1123 CA ILE A 89 0.569 -7.823 6.739 1.00 0.47 C ATOM 1124 C ILE A 89 -0.005 -8.747 7.818 1.00 0.47 C ATOM 1125 O ILE A 89 0.238 -9.950 7.826 1.00 0.59 O ATOM 1126 CB ILE A 89 1.991 -7.377 7.141 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.559 -6.423 6.090 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.909 -8.582 7.314 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.946 -5.920 6.418 1.00 1.15 C ATOM 0 H ILE A 89 0.105 -5.774 6.760 1.00 0.42 H new ATOM 0 HA ILE A 89 0.633 -8.365 5.795 1.00 0.47 H new ATOM 0 HB ILE A 89 1.931 -6.856 8.096 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.584 -6.931 5.126 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.888 -5.571 5.984 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.905 -8.243 7.597 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.512 -9.233 8.093 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.967 -9.133 6.375 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.285 -5.249 5.629 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.924 -5.384 7.367 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.631 -6.765 6.495 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.769 -8.170 8.728 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.444 -8.943 9.763 1.00 0.43 C ATOM 1143 C GLU A 90 -2.709 -9.601 9.217 1.00 0.40 C ATOM 1144 O GLU A 90 -3.187 -10.604 9.751 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.798 -8.034 10.937 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.584 -7.464 11.653 1.00 0.50 C ATOM 1147 CD GLU A 90 0.214 -8.525 12.388 1.00 0.58 C ATOM 1148 OE1 GLU A 90 1.090 -9.152 11.760 1.00 0.73 O ATOM 1149 OE2 GLU A 90 -0.028 -8.739 13.593 1.00 0.82 O ATOM 0 H GLU A 90 -0.940 -7.165 8.774 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.768 -9.729 10.101 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.416 -7.212 10.576 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.400 -8.595 11.651 1.00 0.44 H new ATOM 0 HG2 GLU A 90 0.061 -6.968 10.928 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -0.910 -6.704 12.363 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.250 -9.026 8.154 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.461 -9.543 7.527 1.00 0.39 C ATOM 1158 C LEU A 91 -4.100 -10.617 6.512 1.00 0.43 C ATOM 1159 O LEU A 91 -4.754 -11.658 6.420 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.214 -8.416 6.826 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.543 -7.201 7.690 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.305 -6.176 6.880 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.335 -7.601 8.921 1.00 0.45 C ATOM 0 H LEU A 91 -2.868 -8.195 7.703 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.098 -9.972 8.300 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.621 -8.083 5.974 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.146 -8.819 6.428 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.605 -6.759 8.026 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.534 -5.314 7.507 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.698 -5.857 6.033 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.233 -6.617 6.516 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.554 -6.715 9.516 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.269 -8.073 8.615 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -5.752 -8.303 9.517 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.056 -10.344 5.749 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.516 -11.286 4.796 1.00 0.53 C ATOM 1177 C ASP A 92 -1.015 -11.324 4.985 1.00 0.56 C ATOM 1178 O ASP A 92 -0.296 -10.452 4.495 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.861 -10.903 3.354 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.911 -12.115 2.448 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -1.853 -12.573 1.988 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -4.024 -12.631 2.209 1.00 2.34 O ATOM 0 H ASP A 92 -2.558 -9.454 5.777 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.956 -12.268 4.972 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.824 -10.394 3.334 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.120 -10.198 2.978 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.563 -12.312 5.742 1.00 0.48 N ATOM 1188 CA LYS A 93 0.818 -12.364 6.202 1.00 0.50 C ATOM 1189 C LYS A 93 1.803 -12.293 5.049 1.00 0.55 C ATOM 1190 O LYS A 93 2.808 -11.593 5.152 1.00 0.64 O ATOM 1191 CB LYS A 93 1.036 -13.613 7.055 1.00 0.55 C ATOM 1192 CG LYS A 93 2.434 -13.732 7.649 1.00 0.73 C ATOM 1193 CD LYS A 93 2.856 -12.461 8.374 1.00 1.22 C ATOM 1194 CE LYS A 93 1.891 -12.089 9.490 1.00 1.76 C ATOM 1195 NZ LYS A 93 2.313 -10.846 10.184 1.00 2.61 N ATOM 0 H LYS A 93 -1.137 -13.095 6.053 1.00 0.48 H new ATOM 0 HA LYS A 93 1.005 -11.486 6.820 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.308 -13.616 7.866 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.837 -14.494 6.445 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.463 -14.572 8.343 1.00 0.73 H new ATOM 0 HG3 LYS A 93 3.148 -13.950 6.855 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.855 -12.596 8.789 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.916 -11.640 7.659 1.00 1.22 H new ATOM 0 HE2 LYS A 93 0.891 -11.955 9.078 1.00 1.76 H new ATOM 0 HE3 LYS A 93 1.832 -12.906 10.209 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 1.479 -10.256 10.378 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 2.780 -11.090 11.080 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 2.976 -10.319 9.580 1.00 2.61 H new ATOM 1209 N LYS A 94 1.537 -12.985 3.953 1.00 0.55 N ATOM 1210 CA LYS A 94 2.335 -12.752 2.768 1.00 0.61 C ATOM 1211 C LYS A 94 1.474 -12.193 1.656 1.00 0.60 C ATOM 1212 O LYS A 94 0.792 -12.926 0.943 1.00 0.69 O ATOM 1213 CB LYS A 94 3.031 -14.031 2.293 1.00 0.76 C ATOM 1214 CG LYS A 94 4.095 -14.536 3.249 1.00 0.96 C ATOM 1215 CD LYS A 94 4.789 -15.778 2.715 1.00 1.17 C ATOM 1216 CE LYS A 94 5.598 -15.477 1.461 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.345 -16.671 0.986 1.00 2.11 N ATOM 0 H LYS A 94 0.802 -13.687 3.861 1.00 0.55 H new ATOM 0 HA LYS A 94 3.105 -12.027 3.030 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.282 -14.811 2.152 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.487 -13.846 1.320 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.833 -13.752 3.419 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.640 -14.760 4.214 1.00 0.96 H new ATOM 0 HD2 LYS A 94 5.446 -16.186 3.483 1.00 1.17 H new ATOM 0 HD3 LYS A 94 4.045 -16.543 2.493 1.00 1.17 H new ATOM 0 HE2 LYS A 94 4.931 -15.129 0.673 1.00 1.41 H new ATOM 0 HE3 LYS A 94 6.299 -14.668 1.666 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.883 -16.426 0.131 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 7.000 -16.989 1.729 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 5.675 -17.435 0.766 1.00 2.11 H new ATOM 1231 N TYR A 95 1.542 -10.888 1.506 1.00 0.53 N ATOM 1232 CA TYR A 95 0.998 -10.212 0.358 1.00 0.58 C ATOM 1233 C TYR A 95 1.990 -9.143 -0.051 1.00 0.55 C ATOM 1234 O TYR A 95 2.294 -8.244 0.736 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.379 -9.605 0.643 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.057 -9.117 -0.616 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.173 -9.952 -1.721 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.548 -7.823 -0.718 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.763 -9.514 -2.888 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.134 -7.377 -1.885 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.239 -8.227 -2.966 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.811 -7.782 -4.134 1.00 1.46 O ATOM 0 H TYR A 95 1.980 -10.265 2.185 1.00 0.53 H new ATOM 0 HA TYR A 95 0.846 -10.928 -0.450 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.010 -10.350 1.128 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.271 -8.775 1.341 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.794 -10.962 -1.665 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.470 -7.156 0.128 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.850 -10.178 -3.735 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.509 -6.366 -1.952 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.231 -8.535 -4.600 1.00 1.46 H new ATOM 1252 N ILE A 96 2.505 -9.243 -1.259 1.00 0.56 N ATOM 1253 CA ILE A 96 3.611 -8.402 -1.678 1.00 0.55 C ATOM 1254 C ILE A 96 3.226 -6.929 -1.715 1.00 0.49 C ATOM 1255 O ILE A 96 3.990 -6.073 -1.268 1.00 0.45 O ATOM 1256 CB ILE A 96 4.158 -8.845 -3.043 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.692 -10.276 -2.943 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.236 -7.894 -3.521 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.639 -10.489 -1.782 1.00 0.83 C ATOM 0 H ILE A 96 2.177 -9.898 -1.969 1.00 0.56 H new ATOM 0 HA ILE A 96 4.397 -8.520 -0.933 1.00 0.55 H new ATOM 0 HB ILE A 96 3.351 -8.824 -3.775 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.851 -10.963 -2.846 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.205 -10.529 -3.871 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.610 -8.226 -4.490 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.820 -6.891 -3.617 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.054 -7.880 -2.801 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.977 -11.525 -1.774 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.499 -9.828 -1.888 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.124 -10.268 -0.847 1.00 0.83 H new ATOM 1271 N LYS A 97 2.032 -6.638 -2.212 1.00 0.54 N ATOM 1272 CA LYS A 97 1.553 -5.263 -2.267 1.00 0.55 C ATOM 1273 C LYS A 97 1.431 -4.684 -0.857 1.00 0.50 C ATOM 1274 O LYS A 97 1.561 -3.476 -0.657 1.00 0.51 O ATOM 1275 CB LYS A 97 0.206 -5.192 -2.993 1.00 0.71 C ATOM 1276 CG LYS A 97 -0.301 -3.775 -3.213 1.00 1.28 C ATOM 1277 CD LYS A 97 0.645 -2.975 -4.098 1.00 1.65 C ATOM 1278 CE LYS A 97 0.637 -3.477 -5.536 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.696 -3.305 -6.175 1.00 1.59 N ATOM 0 H LYS A 97 1.380 -7.330 -2.581 1.00 0.54 H new ATOM 0 HA LYS A 97 2.276 -4.668 -2.825 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.298 -5.689 -3.959 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.535 -5.748 -2.418 1.00 0.71 H new ATOM 0 HG2 LYS A 97 -1.289 -3.808 -3.672 1.00 1.28 H new ATOM 0 HG3 LYS A 97 -0.412 -3.274 -2.251 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.358 -1.924 -4.079 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.657 -3.037 -3.697 1.00 1.65 H new ATOM 0 HE2 LYS A 97 1.389 -2.938 -6.113 1.00 1.73 H new ATOM 0 HE3 LYS A 97 0.916 -4.531 -5.555 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.572 -2.961 -7.149 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.194 -4.218 -6.191 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.255 -2.615 -5.633 1.00 1.59 H new ATOM 1293 N GLY A 98 1.220 -5.558 0.123 1.00 0.51 N ATOM 1294 CA GLY A 98 1.111 -5.120 1.499 1.00 0.52 C ATOM 1295 C GLY A 98 2.454 -4.687 2.041 1.00 0.43 C ATOM 1296 O GLY A 98 2.574 -3.630 2.664 1.00 0.48 O ATOM 0 H GLY A 98 1.123 -6.564 -0.014 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.405 -4.292 1.565 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.712 -5.929 2.111 1.00 0.52 H new ATOM 1300 N TYR A 99 3.473 -5.500 1.776 1.00 0.35 N ATOM 1301 CA TYR A 99 4.838 -5.157 2.155 1.00 0.29 C ATOM 1302 C TYR A 99 5.266 -3.887 1.428 1.00 0.31 C ATOM 1303 O TYR A 99 5.888 -2.998 2.005 1.00 0.32 O ATOM 1304 CB TYR A 99 5.824 -6.261 1.770 1.00 0.30 C ATOM 1305 CG TYR A 99 5.548 -7.648 2.312 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.000 -7.868 3.578 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.879 -8.756 1.547 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.795 -9.150 4.046 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.682 -10.036 2.013 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.141 -10.227 3.261 1.00 0.72 C ATOM 1311 OH TYR A 99 4.963 -11.501 3.732 1.00 0.92 O ATOM 0 H TYR A 99 3.379 -6.398 1.302 1.00 0.35 H new ATOM 0 HA TYR A 99 4.850 -5.021 3.236 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.856 -6.322 0.682 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.817 -5.959 2.102 1.00 0.30 H new ATOM 0 HD1 TYR A 99 4.734 -7.025 4.198 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.301 -8.611 0.563 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.365 -9.308 5.024 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.951 -10.885 1.401 1.00 1.11 H new ATOM 0 HH TYR A 99 4.469 -11.471 4.578 1.00 0.92 H new ATOM 1321 N TYR A 100 4.918 -3.832 0.143 1.00 0.34 N ATOM 1322 CA TYR A 100 5.326 -2.748 -0.747 1.00 0.37 C ATOM 1323 C TYR A 100 4.825 -1.398 -0.237 1.00 0.39 C ATOM 1324 O TYR A 100 5.551 -0.401 -0.275 1.00 0.42 O ATOM 1325 CB TYR A 100 4.779 -3.016 -2.153 1.00 0.42 C ATOM 1326 CG TYR A 100 5.625 -2.460 -3.281 1.00 0.43 C ATOM 1327 CD1 TYR A 100 6.729 -3.162 -3.755 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.308 -1.252 -3.887 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.488 -2.678 -4.804 1.00 0.55 C ATOM 1330 CE2 TYR A 100 6.066 -0.758 -4.933 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.153 -1.475 -5.385 1.00 0.60 C ATOM 1332 OH TYR A 100 7.902 -0.994 -6.434 1.00 0.73 O ATOM 0 H TYR A 100 4.343 -4.541 -0.311 1.00 0.34 H new ATOM 0 HA TYR A 100 6.415 -2.710 -0.776 1.00 0.37 H new ATOM 0 HB2 TYR A 100 4.679 -4.093 -2.289 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.778 -2.591 -2.225 1.00 0.42 H new ATOM 0 HD1 TYR A 100 6.998 -4.102 -3.295 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.456 -0.689 -3.536 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.337 -3.239 -5.165 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.808 0.184 -5.393 1.00 0.60 H new ATOM 0 HH TYR A 100 8.435 -1.722 -6.816 1.00 0.73 H new ATOM 1342 N ARG A 101 3.583 -1.370 0.244 1.00 0.41 N ATOM 1343 CA ARG A 101 3.003 -0.143 0.784 1.00 0.46 C ATOM 1344 C ARG A 101 3.649 0.215 2.117 1.00 0.43 C ATOM 1345 O ARG A 101 3.853 1.392 2.421 1.00 0.46 O ATOM 1346 CB ARG A 101 1.487 -0.279 0.948 1.00 0.53 C ATOM 1347 CG ARG A 101 0.746 -0.423 -0.373 1.00 0.82 C ATOM 1348 CD ARG A 101 0.973 0.781 -1.275 1.00 1.06 C ATOM 1349 NE ARG A 101 0.489 0.554 -2.636 1.00 1.18 N ATOM 1350 CZ ARG A 101 1.209 0.803 -3.728 1.00 1.58 C ATOM 1351 NH1 ARG A 101 2.408 1.367 -3.623 1.00 2.34 N ATOM 1352 NH2 ARG A 101 0.720 0.508 -4.924 1.00 1.89 N ATOM 0 H ARG A 101 2.962 -2.179 0.271 1.00 0.41 H new ATOM 0 HA ARG A 101 3.199 0.661 0.075 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.273 -1.147 1.572 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.106 0.595 1.476 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.079 -1.328 -0.881 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.321 -0.540 -0.182 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.468 1.649 -0.852 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.037 1.015 -1.304 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.454 0.184 -2.756 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.779 1.610 -2.704 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.958 1.557 -4.461 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -0.207 0.091 -5.007 1.00 1.89 H new ATOM 0 HH22 ARG A 101 1.271 0.698 -5.761 1.00 1.89 H new ATOM 1366 N ARG A 102 3.990 -0.803 2.904 1.00 0.41 N ATOM 1367 CA ARG A 102 4.660 -0.582 4.179 1.00 0.43 C ATOM 1368 C ARG A 102 6.023 0.044 3.942 1.00 0.37 C ATOM 1369 O ARG A 102 6.313 1.129 4.442 1.00 0.38 O ATOM 1370 CB ARG A 102 4.822 -1.894 4.948 1.00 0.52 C ATOM 1371 CG ARG A 102 5.339 -1.704 6.368 1.00 0.87 C ATOM 1372 CD ARG A 102 5.654 -3.034 7.028 1.00 1.12 C ATOM 1373 NE ARG A 102 5.924 -2.900 8.459 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.831 -3.622 9.115 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.634 -4.447 8.453 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.966 -3.485 10.428 1.00 3.57 N ATOM 0 H ARG A 102 3.814 -1.783 2.681 1.00 0.41 H new ATOM 0 HA ARG A 102 4.046 0.093 4.776 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.860 -2.406 4.985 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.508 -2.543 4.404 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.235 -1.084 6.350 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.595 -1.171 6.959 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.816 -3.716 6.882 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.519 -3.483 6.539 1.00 1.12 H new ATOM 0 HE ARG A 102 5.386 -2.213 8.986 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.557 -4.529 7.439 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.327 -4.998 8.958 1.00 2.78 H new ATOM 0 HH21 ARG A 102 6.375 -2.827 10.935 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.661 -4.038 10.930 1.00 3.57 H new ATOM 1390 N ALA A 103 6.834 -0.635 3.135 1.00 0.34 N ATOM 1391 CA ALA A 103 8.183 -0.184 2.816 1.00 0.32 C ATOM 1392 C ALA A 103 8.178 1.240 2.253 1.00 0.33 C ATOM 1393 O ALA A 103 9.108 2.012 2.481 1.00 0.35 O ATOM 1394 CB ALA A 103 8.820 -1.132 1.820 1.00 0.33 C ATOM 0 H ALA A 103 6.574 -1.512 2.685 1.00 0.34 H new ATOM 0 HA ALA A 103 8.764 -0.178 3.738 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.828 -0.790 1.585 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.867 -2.133 2.249 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.224 -1.156 0.908 1.00 0.33 H new ATOM 1400 N ALA A 104 7.118 1.586 1.527 1.00 0.33 N ATOM 1401 CA ALA A 104 6.999 2.909 0.930 1.00 0.35 C ATOM 1402 C ALA A 104 6.786 3.955 2.011 1.00 0.35 C ATOM 1403 O ALA A 104 7.313 5.065 1.931 1.00 0.38 O ATOM 1404 CB ALA A 104 5.861 2.944 -0.080 1.00 0.39 C ATOM 0 H ALA A 104 6.330 0.967 1.339 1.00 0.33 H new ATOM 0 HA ALA A 104 7.926 3.135 0.403 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.790 3.941 -0.514 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.053 2.218 -0.870 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.924 2.698 0.419 1.00 0.39 H new ATOM 1410 N SER A 105 6.028 3.584 3.033 1.00 0.34 N ATOM 1411 CA SER A 105 5.799 4.459 4.166 1.00 0.36 C ATOM 1412 C SER A 105 7.095 4.626 4.954 1.00 0.34 C ATOM 1413 O SER A 105 7.389 5.706 5.457 1.00 0.33 O ATOM 1414 CB SER A 105 4.686 3.908 5.059 1.00 0.40 C ATOM 1415 OG SER A 105 3.550 3.544 4.290 1.00 0.64 O ATOM 0 H SER A 105 5.561 2.679 3.098 1.00 0.34 H new ATOM 0 HA SER A 105 5.479 5.435 3.802 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.051 3.040 5.608 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.404 4.657 5.799 1.00 0.40 H new ATOM 0 HG SER A 105 3.749 2.734 3.776 1.00 0.64 H new ATOM 1421 N ASN A 106 7.882 3.552 5.029 1.00 0.36 N ATOM 1422 CA ASN A 106 9.188 3.604 5.676 1.00 0.37 C ATOM 1423 C ASN A 106 10.108 4.577 4.947 1.00 0.36 C ATOM 1424 O ASN A 106 10.730 5.433 5.576 1.00 0.37 O ATOM 1425 CB ASN A 106 9.846 2.224 5.719 1.00 0.40 C ATOM 1426 CG ASN A 106 9.162 1.258 6.660 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.287 0.499 6.260 1.00 1.09 O ATOM 1428 ND2 ASN A 106 9.561 1.276 7.920 1.00 1.32 N ATOM 0 H ASN A 106 7.636 2.638 4.649 1.00 0.36 H new ATOM 0 HA ASN A 106 9.030 3.947 6.698 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.849 1.800 4.715 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.888 2.336 6.020 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.137 0.643 8.598 1.00 1.32 H new ATOM 0 HD22 ASN A 106 10.293 1.923 8.214 1.00 1.32 H new ATOM 1435 N MET A 107 10.185 4.445 3.623 1.00 0.38 N ATOM 1436 CA MET A 107 10.994 5.352 2.802 1.00 0.40 C ATOM 1437 C MET A 107 10.564 6.796 3.034 1.00 0.40 C ATOM 1438 O MET A 107 11.392 7.703 3.142 1.00 0.45 O ATOM 1439 CB MET A 107 10.861 5.015 1.309 1.00 0.46 C ATOM 1440 CG MET A 107 11.508 3.698 0.905 1.00 0.44 C ATOM 1441 SD MET A 107 13.285 3.675 1.207 1.00 1.26 S ATOM 1442 CE MET A 107 13.851 4.781 -0.080 1.00 0.70 C ATOM 0 H MET A 107 9.699 3.721 3.095 1.00 0.38 H new ATOM 0 HA MET A 107 12.036 5.228 3.096 1.00 0.40 H new ATOM 0 HB2 MET A 107 9.803 4.982 1.049 1.00 0.46 H new ATOM 0 HB3 MET A 107 11.308 5.820 0.725 1.00 0.46 H new ATOM 0 HG2 MET A 107 11.039 2.883 1.457 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.321 3.515 -0.153 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.941 4.791 -0.097 1.00 0.70 H new ATOM 0 HE2 MET A 107 13.476 4.439 -1.045 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.482 5.787 0.117 1.00 0.70 H new ATOM 1452 N ALA A 108 9.258 6.986 3.134 1.00 0.36 N ATOM 1453 CA ALA A 108 8.673 8.301 3.331 1.00 0.38 C ATOM 1454 C ALA A 108 8.935 8.832 4.742 1.00 0.39 C ATOM 1455 O ALA A 108 8.939 10.043 4.969 1.00 0.43 O ATOM 1456 CB ALA A 108 7.182 8.231 3.048 1.00 0.38 C ATOM 0 H ALA A 108 8.574 6.231 3.081 1.00 0.36 H new ATOM 0 HA ALA A 108 9.143 8.999 2.638 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.737 9.215 3.194 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.022 7.910 2.019 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.716 7.518 3.728 1.00 0.38 H new ATOM 1462 N LEU A 109 9.159 7.926 5.684 1.00 0.38 N ATOM 1463 CA LEU A 109 9.434 8.305 7.067 1.00 0.40 C ATOM 1464 C LEU A 109 10.934 8.417 7.323 1.00 0.43 C ATOM 1465 O LEU A 109 11.364 8.650 8.450 1.00 0.65 O ATOM 1466 CB LEU A 109 8.812 7.288 8.031 1.00 0.38 C ATOM 1467 CG LEU A 109 7.282 7.264 8.055 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.780 6.128 8.931 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.737 8.596 8.551 1.00 0.82 C ATOM 0 H LEU A 109 9.156 6.920 5.517 1.00 0.38 H new ATOM 0 HA LEU A 109 8.986 9.283 7.240 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.171 6.294 7.766 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.172 7.499 9.038 1.00 0.38 H new ATOM 0 HG LEU A 109 6.925 7.100 7.038 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.690 6.127 8.936 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.142 5.178 8.538 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.147 6.263 9.948 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.648 8.562 8.562 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.104 8.787 9.559 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.068 9.395 7.887 1.00 0.82 H new ATOM 1481 N GLY A 110 11.728 8.234 6.275 1.00 0.39 N ATOM 1482 CA GLY A 110 13.170 8.329 6.411 1.00 0.41 C ATOM 1483 C GLY A 110 13.771 7.058 6.978 1.00 0.39 C ATOM 1484 O GLY A 110 14.977 6.974 7.212 1.00 0.47 O ATOM 0 H GLY A 110 11.400 8.021 5.333 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.613 8.537 5.437 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.419 9.169 7.060 1.00 0.41 H new ATOM 1488 N LYS A 111 12.925 6.061 7.191 1.00 0.36 N ATOM 1489 CA LYS A 111 13.362 4.770 7.701 1.00 0.38 C ATOM 1490 C LYS A 111 13.831 3.891 6.553 1.00 0.30 C ATOM 1491 O LYS A 111 13.234 2.856 6.264 1.00 0.32 O ATOM 1492 CB LYS A 111 12.221 4.086 8.464 1.00 0.53 C ATOM 1493 CG LYS A 111 11.909 4.725 9.807 1.00 0.74 C ATOM 1494 CD LYS A 111 10.615 4.185 10.396 1.00 0.54 C ATOM 1495 CE LYS A 111 10.412 4.660 11.827 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.345 6.143 11.935 1.00 1.73 N ATOM 0 H LYS A 111 11.922 6.123 7.016 1.00 0.36 H new ATOM 0 HA LYS A 111 14.194 4.925 8.388 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.323 4.103 7.847 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.479 3.039 8.622 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.730 4.539 10.499 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.832 5.806 9.687 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.773 4.506 9.782 1.00 0.54 H new ATOM 0 HD3 LYS A 111 10.630 3.095 10.372 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.492 4.229 12.222 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.229 4.291 12.447 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.105 6.409 12.911 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 11.267 6.552 11.681 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.616 6.506 11.288 1.00 1.73 H new ATOM 1510 N PHE A 112 14.899 4.324 5.901 1.00 0.30 N ATOM 1511 CA PHE A 112 15.406 3.653 4.715 1.00 0.29 C ATOM 1512 C PHE A 112 15.823 2.217 5.008 1.00 0.30 C ATOM 1513 O PHE A 112 15.439 1.307 4.289 1.00 0.34 O ATOM 1514 CB PHE A 112 16.570 4.442 4.124 1.00 0.35 C ATOM 1515 CG PHE A 112 16.197 5.857 3.790 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.232 6.122 2.833 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.801 6.918 4.438 1.00 0.48 C ATOM 1518 CE1 PHE A 112 14.876 7.420 2.530 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.449 8.219 4.139 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.486 8.470 3.182 1.00 0.53 C ATOM 0 H PHE A 112 15.436 5.146 6.177 1.00 0.30 H new ATOM 0 HA PHE A 112 14.597 3.610 3.986 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.398 4.446 4.832 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.924 3.941 3.223 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.752 5.303 2.318 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.556 6.727 5.186 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.120 7.613 1.783 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.927 9.040 4.653 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.211 9.487 2.945 1.00 0.53 H new ATOM 1530 N ARG A 113 16.590 2.008 6.071 1.00 0.34 N ATOM 1531 CA ARG A 113 17.031 0.657 6.422 1.00 0.38 C ATOM 1532 C ARG A 113 15.834 -0.245 6.711 1.00 0.34 C ATOM 1533 O ARG A 113 15.821 -1.420 6.337 1.00 0.34 O ATOM 1534 CB ARG A 113 17.962 0.683 7.631 1.00 0.49 C ATOM 1535 CG ARG A 113 19.220 1.508 7.421 1.00 1.21 C ATOM 1536 CD ARG A 113 20.149 1.424 8.621 1.00 1.58 C ATOM 1537 NE ARG A 113 19.507 1.881 9.855 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.098 1.870 11.050 1.00 3.14 C ATOM 1539 NH1 ARG A 113 21.360 1.472 11.169 1.00 3.25 N ATOM 1540 NH2 ARG A 113 19.431 2.272 12.126 1.00 4.15 N ATOM 0 H ARG A 113 16.917 2.742 6.699 1.00 0.34 H new ATOM 0 HA ARG A 113 17.578 0.256 5.569 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.418 1.080 8.488 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.247 -0.339 7.880 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.742 1.157 6.531 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.948 2.548 7.242 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.483 0.394 8.748 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.038 2.026 8.432 1.00 1.58 H new ATOM 0 HE ARG A 113 18.550 2.229 9.797 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.880 1.173 10.344 1.00 3.25 H new ATOM 0 HH12 ARG A 113 21.808 1.465 12.085 1.00 3.25 H new ATOM 0 HH21 ARG A 113 18.466 2.590 12.039 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.884 2.263 13.040 1.00 4.15 H new ATOM 1554 N ALA A 114 14.823 0.316 7.365 1.00 0.34 N ATOM 1555 CA ALA A 114 13.604 -0.421 7.665 1.00 0.34 C ATOM 1556 C ALA A 114 12.873 -0.777 6.373 1.00 0.28 C ATOM 1557 O ALA A 114 12.437 -1.913 6.185 1.00 0.30 O ATOM 1558 CB ALA A 114 12.706 0.392 8.584 1.00 0.40 C ATOM 0 H ALA A 114 14.825 1.280 7.697 1.00 0.34 H new ATOM 0 HA ALA A 114 13.870 -1.345 8.178 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.799 -0.173 8.799 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.232 0.601 9.515 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.442 1.331 8.097 1.00 0.40 H new ATOM 1564 N ALA A 115 12.787 0.198 5.472 1.00 0.26 N ATOM 1565 CA ALA A 115 12.138 0.009 4.184 1.00 0.23 C ATOM 1566 C ALA A 115 12.885 -1.013 3.354 1.00 0.23 C ATOM 1567 O ALA A 115 12.284 -1.791 2.612 1.00 0.25 O ATOM 1568 CB ALA A 115 12.068 1.324 3.434 1.00 0.23 C ATOM 0 H ALA A 115 13.164 1.135 5.616 1.00 0.26 H new ATOM 0 HA ALA A 115 11.127 -0.356 4.363 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.580 1.169 2.472 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.497 2.046 4.018 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.076 1.705 3.272 1.00 0.23 H new ATOM 1574 N LEU A 116 14.203 -1.002 3.485 1.00 0.24 N ATOM 1575 CA LEU A 116 15.046 -1.943 2.782 1.00 0.28 C ATOM 1576 C LEU A 116 14.702 -3.359 3.182 1.00 0.29 C ATOM 1577 O LEU A 116 14.724 -4.253 2.356 1.00 0.30 O ATOM 1578 CB LEU A 116 16.520 -1.693 3.075 1.00 0.32 C ATOM 1579 CG LEU A 116 17.469 -2.550 2.244 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.344 -2.190 0.778 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.901 -2.395 2.715 1.00 0.49 C ATOM 0 H LEU A 116 14.710 -0.345 4.078 1.00 0.24 H new ATOM 0 HA LEU A 116 14.869 -1.805 1.715 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.743 -0.641 2.894 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.707 -1.881 4.132 1.00 0.32 H new ATOM 0 HG LEU A 116 17.191 -3.596 2.374 1.00 0.40 H new ATOM 0 HD11 LEU A 116 18.025 -2.807 0.192 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.320 -2.365 0.446 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.596 -1.139 0.639 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.554 -3.018 2.104 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.203 -1.352 2.623 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.977 -2.704 3.758 1.00 0.49 H new ATOM 1593 N ARG A 117 14.376 -3.553 4.449 1.00 0.34 N ATOM 1594 CA ARG A 117 14.028 -4.877 4.943 1.00 0.40 C ATOM 1595 C ARG A 117 12.691 -5.324 4.371 1.00 0.34 C ATOM 1596 O ARG A 117 12.501 -6.497 4.042 1.00 0.35 O ATOM 1597 CB ARG A 117 13.975 -4.882 6.467 1.00 0.57 C ATOM 1598 CG ARG A 117 15.304 -4.538 7.112 1.00 0.70 C ATOM 1599 CD ARG A 117 15.199 -4.535 8.622 1.00 1.01 C ATOM 1600 NE ARG A 117 16.467 -4.184 9.253 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.702 -4.304 10.557 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.759 -4.775 11.362 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.880 -3.957 11.052 1.00 3.56 N ATOM 0 H ARG A 117 14.345 -2.815 5.152 1.00 0.34 H new ATOM 0 HA ARG A 117 14.798 -5.577 4.619 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.221 -4.169 6.800 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.656 -5.866 6.810 1.00 0.57 H new ATOM 0 HG2 ARG A 117 16.060 -5.259 6.799 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.635 -3.559 6.767 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.431 -3.826 8.931 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.882 -5.519 8.966 1.00 1.01 H new ATOM 0 HE ARG A 117 17.216 -3.826 8.660 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.852 -5.046 10.982 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.941 -4.866 12.362 1.00 2.45 H new ATOM 0 HH21 ARG A 117 18.607 -3.598 10.434 1.00 3.56 H new ATOM 0 HH22 ARG A 117 18.060 -4.049 12.052 1.00 3.56 H new ATOM 1617 N ASP A 118 11.773 -4.381 4.234 1.00 0.33 N ATOM 1618 CA ASP A 118 10.459 -4.675 3.690 1.00 0.33 C ATOM 1619 C ASP A 118 10.539 -4.909 2.184 1.00 0.28 C ATOM 1620 O ASP A 118 9.959 -5.864 1.668 1.00 0.31 O ATOM 1621 CB ASP A 118 9.469 -3.564 4.036 1.00 0.40 C ATOM 1622 CG ASP A 118 9.015 -3.639 5.483 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.189 -4.524 5.807 1.00 0.77 O ATOM 1624 OD2 ASP A 118 9.490 -2.830 6.306 1.00 1.06 O ATOM 0 H ASP A 118 11.915 -3.405 4.493 1.00 0.33 H new ATOM 0 HA ASP A 118 10.093 -5.594 4.147 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.932 -2.595 3.851 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.602 -3.634 3.380 1.00 0.40 H new ATOM 1629 N TYR A 119 11.291 -4.064 1.485 1.00 0.24 N ATOM 1630 CA TYR A 119 11.527 -4.253 0.053 1.00 0.26 C ATOM 1631 C TYR A 119 12.389 -5.483 -0.197 1.00 0.28 C ATOM 1632 O TYR A 119 12.253 -6.150 -1.223 1.00 0.33 O ATOM 1633 CB TYR A 119 12.167 -3.011 -0.571 1.00 0.28 C ATOM 1634 CG TYR A 119 11.168 -1.916 -0.874 1.00 0.33 C ATOM 1635 CD1 TYR A 119 9.961 -2.216 -1.497 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.420 -0.594 -0.533 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.035 -1.232 -1.769 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.493 0.400 -0.802 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.302 0.073 -1.422 1.00 0.50 C ATOM 1640 OH TYR A 119 8.369 1.050 -1.686 1.00 0.60 O ATOM 0 H TYR A 119 11.747 -3.243 1.883 1.00 0.24 H new ATOM 0 HA TYR A 119 10.560 -4.409 -0.425 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.928 -2.623 0.106 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.675 -3.296 -1.492 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.746 -3.238 -1.772 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.352 -0.337 -0.051 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.103 -1.484 -2.253 1.00 0.46 H new ATOM 0 HE2 TYR A 119 10.700 1.424 -0.529 1.00 0.47 H new ATOM 0 HH TYR A 119 8.708 1.917 -1.380 1.00 0.60 H new ATOM 1650 N GLU A 120 13.269 -5.782 0.749 1.00 0.28 N ATOM 1651 CA GLU A 120 14.077 -6.986 0.685 1.00 0.34 C ATOM 1652 C GLU A 120 13.170 -8.197 0.729 1.00 0.37 C ATOM 1653 O GLU A 120 13.314 -9.120 -0.056 1.00 0.43 O ATOM 1654 CB GLU A 120 15.064 -7.049 1.851 1.00 0.36 C ATOM 1655 CG GLU A 120 16.218 -8.007 1.619 1.00 0.42 C ATOM 1656 CD GLU A 120 16.998 -8.310 2.878 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.455 -9.000 3.771 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.166 -7.889 2.971 1.00 0.58 O ATOM 0 H GLU A 120 13.440 -5.203 1.571 1.00 0.28 H new ATOM 0 HA GLU A 120 14.645 -6.973 -0.245 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.462 -6.051 2.033 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.530 -7.349 2.753 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.832 -8.938 1.205 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.891 -7.582 0.875 1.00 0.42 H new ATOM 1665 N THR A 121 12.222 -8.172 1.648 1.00 0.36 N ATOM 1666 CA THR A 121 11.243 -9.235 1.762 1.00 0.40 C ATOM 1667 C THR A 121 10.457 -9.381 0.458 1.00 0.40 C ATOM 1668 O THR A 121 10.238 -10.491 -0.028 1.00 0.45 O ATOM 1669 CB THR A 121 10.283 -8.955 2.927 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.038 -8.747 4.128 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.312 -10.108 3.123 1.00 0.47 C ATOM 0 H THR A 121 12.110 -7.422 2.330 1.00 0.36 H new ATOM 0 HA THR A 121 11.771 -10.168 1.958 1.00 0.40 H new ATOM 0 HB THR A 121 9.706 -8.060 2.693 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.293 -7.803 4.195 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.644 -9.884 3.954 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.726 -10.249 2.215 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.869 -11.019 3.341 1.00 0.47 H new ATOM 1679 N VAL A 122 10.063 -8.248 -0.115 1.00 0.37 N ATOM 1680 CA VAL A 122 9.375 -8.230 -1.401 1.00 0.39 C ATOM 1681 C VAL A 122 10.199 -8.949 -2.473 1.00 0.44 C ATOM 1682 O VAL A 122 9.686 -9.806 -3.199 1.00 0.50 O ATOM 1683 CB VAL A 122 9.097 -6.778 -1.856 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.476 -6.744 -3.239 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.197 -6.064 -0.864 1.00 0.36 C ATOM 0 H VAL A 122 10.210 -7.325 0.294 1.00 0.37 H new ATOM 0 HA VAL A 122 8.427 -8.752 -1.272 1.00 0.39 H new ATOM 0 HB VAL A 122 10.055 -6.259 -1.898 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.293 -5.710 -3.530 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.155 -7.207 -3.954 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.533 -7.290 -3.228 1.00 0.43 H new ATOM 0 HG21 VAL A 122 8.016 -5.045 -1.205 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.248 -6.595 -0.786 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.680 -6.039 0.113 1.00 0.36 H new ATOM 1695 N VAL A 123 11.484 -8.618 -2.545 1.00 0.44 N ATOM 1696 CA VAL A 123 12.365 -9.186 -3.560 1.00 0.51 C ATOM 1697 C VAL A 123 12.834 -10.592 -3.163 1.00 0.57 C ATOM 1698 O VAL A 123 13.469 -11.291 -3.947 1.00 0.67 O ATOM 1699 CB VAL A 123 13.583 -8.263 -3.827 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.600 -8.336 -2.701 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.228 -8.587 -5.166 1.00 0.59 C ATOM 0 H VAL A 123 11.939 -7.959 -1.913 1.00 0.44 H new ATOM 0 HA VAL A 123 11.791 -9.266 -4.483 1.00 0.51 H new ATOM 0 HB VAL A 123 13.214 -7.238 -3.867 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.438 -7.676 -2.924 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.132 -8.025 -1.767 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.961 -9.360 -2.602 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.079 -7.926 -5.329 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.568 -9.623 -5.165 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.500 -8.445 -5.965 1.00 0.59 H new ATOM 1711 N LYS A 124 12.521 -11.004 -1.941 1.00 0.55 N ATOM 1712 CA LYS A 124 12.830 -12.357 -1.495 1.00 0.61 C ATOM 1713 C LYS A 124 11.645 -13.280 -1.732 1.00 0.63 C ATOM 1714 O LYS A 124 11.750 -14.497 -1.584 1.00 0.72 O ATOM 1715 CB LYS A 124 13.233 -12.377 -0.018 1.00 0.62 C ATOM 1716 CG LYS A 124 14.603 -11.761 0.233 1.00 0.67 C ATOM 1717 CD LYS A 124 15.042 -11.870 1.687 1.00 0.75 C ATOM 1718 CE LYS A 124 14.098 -11.131 2.623 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.663 -11.006 3.992 1.00 1.07 N ATOM 0 H LYS A 124 12.055 -10.424 -1.243 1.00 0.55 H new ATOM 0 HA LYS A 124 13.677 -12.715 -2.080 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.486 -11.838 0.564 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.233 -13.407 0.339 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.339 -12.253 -0.402 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.583 -10.711 -0.058 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.089 -12.920 1.974 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.049 -11.465 1.793 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.893 -10.138 2.223 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.146 -11.659 2.670 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.906 -10.750 4.658 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.084 -11.913 4.278 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.395 -10.267 3.999 1.00 1.07 H new ATOM 1733 N VAL A 125 10.511 -12.692 -2.077 1.00 0.59 N ATOM 1734 CA VAL A 125 9.342 -13.467 -2.461 1.00 0.63 C ATOM 1735 C VAL A 125 9.233 -13.542 -3.984 1.00 0.69 C ATOM 1736 O VAL A 125 8.944 -14.601 -4.537 1.00 0.75 O ATOM 1737 CB VAL A 125 8.048 -12.883 -1.865 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.834 -13.699 -2.292 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.145 -12.828 -0.347 1.00 0.59 C ATOM 0 H VAL A 125 10.375 -11.681 -2.099 1.00 0.59 H new ATOM 0 HA VAL A 125 9.468 -14.472 -2.059 1.00 0.63 H new ATOM 0 HB VAL A 125 7.924 -11.869 -2.246 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.933 -13.266 -1.858 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.753 -13.690 -3.379 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.946 -14.726 -1.945 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.224 -12.413 0.062 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.295 -13.834 0.045 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.986 -12.197 -0.059 1.00 0.59 H new ATOM 1749 N LYS A 126 9.475 -12.421 -4.664 1.00 0.68 N ATOM 1750 CA LYS A 126 9.540 -12.428 -6.125 1.00 0.76 C ATOM 1751 C LYS A 126 10.783 -11.694 -6.646 1.00 0.75 C ATOM 1752 O LYS A 126 10.711 -10.562 -7.119 1.00 0.73 O ATOM 1753 CB LYS A 126 8.245 -11.890 -6.775 1.00 0.80 C ATOM 1754 CG LYS A 126 7.530 -10.767 -6.028 1.00 0.73 C ATOM 1755 CD LYS A 126 8.183 -9.426 -6.283 1.00 0.71 C ATOM 1756 CE LYS A 126 7.247 -8.257 -6.016 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.064 -8.243 -6.919 1.00 1.12 N ATOM 0 H LYS A 126 9.627 -11.509 -4.234 1.00 0.68 H new ATOM 0 HA LYS A 126 9.631 -13.472 -6.425 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.487 -11.535 -7.777 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.549 -12.721 -6.891 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.486 -10.729 -6.339 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.537 -10.978 -4.959 1.00 0.73 H new ATOM 0 HD2 LYS A 126 9.066 -9.331 -5.651 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.525 -9.384 -7.317 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.907 -8.300 -4.981 1.00 0.73 H new ATOM 0 HE3 LYS A 126 7.798 -7.324 -6.133 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.756 -7.262 -7.072 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.319 -8.672 -7.832 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 5.290 -8.786 -6.485 1.00 1.12 H new ATOM 1771 N PRO A 127 11.953 -12.348 -6.565 1.00 0.80 N ATOM 1772 CA PRO A 127 13.226 -11.771 -7.023 1.00 0.83 C ATOM 1773 C PRO A 127 13.280 -11.622 -8.538 1.00 0.92 C ATOM 1774 O PRO A 127 13.995 -10.774 -9.069 1.00 0.96 O ATOM 1775 CB PRO A 127 14.273 -12.785 -6.555 1.00 0.87 C ATOM 1776 CG PRO A 127 13.527 -14.067 -6.423 1.00 0.97 C ATOM 1777 CD PRO A 127 12.136 -13.695 -5.998 1.00 0.86 C ATOM 0 HA PRO A 127 13.379 -10.767 -6.627 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.087 -12.873 -7.274 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.717 -12.486 -5.606 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.514 -14.610 -7.368 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.998 -14.719 -5.687 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.397 -14.397 -6.384 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.035 -13.691 -4.913 1.00 0.86 H new ATOM 1785 N HIS A 128 12.506 -12.449 -9.226 1.00 0.99 N ATOM 1786 CA HIS A 128 12.462 -12.422 -10.681 1.00 1.12 C ATOM 1787 C HIS A 128 11.570 -11.286 -11.174 1.00 1.04 C ATOM 1788 O HIS A 128 11.451 -11.055 -12.376 1.00 1.11 O ATOM 1789 CB HIS A 128 11.967 -13.768 -11.239 1.00 1.33 C ATOM 1790 CG HIS A 128 10.561 -14.134 -10.849 1.00 2.00 C ATOM 1791 ND1 HIS A 128 9.475 -13.941 -11.675 1.00 2.75 N ATOM 1792 CD2 HIS A 128 10.072 -14.698 -9.720 1.00 2.49 C ATOM 1793 CE1 HIS A 128 8.384 -14.369 -11.072 1.00 3.56 C ATOM 1794 NE2 HIS A 128 8.717 -14.833 -9.884 1.00 3.37 N ATOM 0 H HIS A 128 11.899 -13.148 -8.799 1.00 0.99 H new ATOM 0 HA HIS A 128 13.475 -12.250 -11.044 1.00 1.12 H new ATOM 0 HB2 HIS A 128 12.032 -13.740 -12.327 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.640 -14.556 -10.900 1.00 1.33 H new ATOM 0 HD2 HIS A 128 10.643 -14.988 -8.851 1.00 2.49 H new ATOM 0 HE1 HIS A 128 7.385 -14.344 -11.482 1.00 3.56 H new ATOM 0 HE2 HIS A 128 8.073 -15.228 -9.199 1.00 3.37 H new ATOM 1803 N ASP A 129 10.949 -10.583 -10.239 1.00 0.92 N ATOM 1804 CA ASP A 129 10.050 -9.490 -10.583 1.00 0.89 C ATOM 1805 C ASP A 129 10.731 -8.147 -10.345 1.00 0.83 C ATOM 1806 O ASP A 129 11.136 -7.830 -9.224 1.00 0.80 O ATOM 1807 CB ASP A 129 8.753 -9.587 -9.777 1.00 0.89 C ATOM 1808 CG ASP A 129 7.733 -8.524 -10.152 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.967 -7.808 -11.145 1.00 1.09 O ATOM 1810 OD2 ASP A 129 6.702 -8.394 -9.457 1.00 1.11 O ATOM 0 H ASP A 129 11.050 -10.749 -9.238 1.00 0.92 H new ATOM 0 HA ASP A 129 9.801 -9.567 -11.641 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.313 -10.573 -9.927 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.985 -9.500 -8.716 1.00 0.89 H new ATOM 1815 N LYS A 130 10.859 -7.370 -11.415 1.00 0.85 N ATOM 1816 CA LYS A 130 11.490 -6.058 -11.358 1.00 0.89 C ATOM 1817 C LYS A 130 10.722 -5.094 -10.457 1.00 0.84 C ATOM 1818 O LYS A 130 11.277 -4.096 -10.009 1.00 0.84 O ATOM 1819 CB LYS A 130 11.668 -5.464 -12.771 1.00 1.04 C ATOM 1820 CG LYS A 130 10.439 -5.533 -13.683 1.00 1.18 C ATOM 1821 CD LYS A 130 9.315 -4.603 -13.241 1.00 1.44 C ATOM 1822 CE LYS A 130 9.734 -3.138 -13.261 1.00 2.28 C ATOM 1823 NZ LYS A 130 10.018 -2.645 -14.636 1.00 3.05 N ATOM 0 H LYS A 130 10.529 -7.632 -12.344 1.00 0.85 H new ATOM 0 HA LYS A 130 12.478 -6.197 -10.919 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.965 -4.420 -12.671 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.491 -5.983 -13.262 1.00 1.04 H new ATOM 0 HG2 LYS A 130 10.734 -5.278 -14.701 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.067 -6.557 -13.706 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.454 -4.741 -13.895 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.997 -4.874 -12.234 1.00 1.44 H new ATOM 0 HE2 LYS A 130 8.945 -2.532 -12.817 1.00 2.28 H new ATOM 0 HE3 LYS A 130 10.622 -3.009 -12.642 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 10.199 -1.621 -14.607 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 10.854 -3.134 -15.014 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 9.199 -2.835 -15.249 1.00 3.05 H new ATOM 1837 N ASP A 131 9.450 -5.388 -10.196 1.00 0.86 N ATOM 1838 CA ASP A 131 8.653 -4.566 -9.285 1.00 0.90 C ATOM 1839 C ASP A 131 9.295 -4.548 -7.907 1.00 0.77 C ATOM 1840 O ASP A 131 9.388 -3.506 -7.258 1.00 0.80 O ATOM 1841 CB ASP A 131 7.222 -5.101 -9.195 1.00 1.05 C ATOM 1842 CG ASP A 131 6.426 -4.485 -8.058 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.082 -3.286 -8.140 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.122 -5.213 -7.086 1.00 1.82 O ATOM 0 H ASP A 131 8.952 -6.182 -10.598 1.00 0.86 H new ATOM 0 HA ASP A 131 8.617 -3.548 -9.673 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.708 -4.908 -10.137 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.252 -6.183 -9.065 1.00 1.05 H new ATOM 1849 N ALA A 132 9.766 -5.713 -7.493 1.00 0.69 N ATOM 1850 CA ALA A 132 10.461 -5.858 -6.231 1.00 0.62 C ATOM 1851 C ALA A 132 11.831 -5.226 -6.308 1.00 0.59 C ATOM 1852 O ALA A 132 12.188 -4.381 -5.486 1.00 0.56 O ATOM 1853 CB ALA A 132 10.603 -7.324 -5.880 1.00 0.65 C ATOM 0 H ALA A 132 9.676 -6.580 -8.023 1.00 0.69 H new ATOM 0 HA ALA A 132 9.879 -5.355 -5.459 1.00 0.62 H new ATOM 0 HB1 ALA A 132 11.127 -7.421 -4.929 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.614 -7.776 -5.797 1.00 0.65 H new ATOM 0 HB3 ALA A 132 11.170 -7.832 -6.660 1.00 0.65 H new ATOM 1859 N LYS A 133 12.589 -5.651 -7.313 1.00 0.63 N ATOM 1860 CA LYS A 133 13.953 -5.175 -7.503 1.00 0.66 C ATOM 1861 C LYS A 133 14.006 -3.654 -7.515 1.00 0.65 C ATOM 1862 O LYS A 133 14.685 -3.058 -6.692 1.00 0.63 O ATOM 1863 CB LYS A 133 14.556 -5.719 -8.802 1.00 0.74 C ATOM 1864 CG LYS A 133 14.600 -7.236 -8.865 1.00 0.75 C ATOM 1865 CD LYS A 133 15.529 -7.734 -9.963 1.00 0.95 C ATOM 1866 CE LYS A 133 14.987 -7.430 -11.350 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.896 -7.915 -12.423 1.00 1.93 N ATOM 0 H LYS A 133 12.279 -6.327 -8.011 1.00 0.63 H new ATOM 0 HA LYS A 133 14.541 -5.543 -6.662 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.976 -5.346 -9.646 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.568 -5.330 -8.914 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.931 -7.629 -7.904 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.595 -7.621 -9.038 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.508 -7.270 -9.847 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.671 -8.809 -9.857 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.008 -7.895 -11.467 1.00 1.21 H new ATOM 0 HE3 LYS A 133 14.843 -6.355 -11.455 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 15.489 -7.687 -13.352 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.823 -7.452 -12.328 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.013 -8.945 -12.339 1.00 1.93 H new ATOM 1881 N MET A 134 13.237 -3.045 -8.412 1.00 0.68 N ATOM 1882 CA MET A 134 13.293 -1.604 -8.662 1.00 0.72 C ATOM 1883 C MET A 134 13.375 -0.783 -7.377 1.00 0.65 C ATOM 1884 O MET A 134 14.225 0.099 -7.252 1.00 0.68 O ATOM 1885 CB MET A 134 12.065 -1.167 -9.460 1.00 0.78 C ATOM 1886 CG MET A 134 12.053 0.312 -9.802 1.00 0.84 C ATOM 1887 SD MET A 134 10.740 0.749 -10.962 1.00 0.97 S ATOM 1888 CE MET A 134 9.290 0.158 -10.089 1.00 1.61 C ATOM 0 H MET A 134 12.554 -3.536 -8.989 1.00 0.68 H new ATOM 0 HA MET A 134 14.205 -1.418 -9.229 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.018 -1.745 -10.383 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.168 -1.406 -8.889 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.931 0.891 -8.887 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.017 0.590 -10.229 1.00 0.84 H new ATOM 0 HE1 MET A 134 8.393 0.453 -10.633 1.00 1.61 H new ATOM 0 HE2 MET A 134 9.328 -0.929 -10.014 1.00 1.61 H new ATOM 0 HE3 MET A 134 9.266 0.590 -9.088 1.00 1.61 H new ATOM 1898 N LYS A 135 12.503 -1.081 -6.428 1.00 0.59 N ATOM 1899 CA LYS A 135 12.446 -0.319 -5.189 1.00 0.54 C ATOM 1900 C LYS A 135 13.419 -0.863 -4.150 1.00 0.48 C ATOM 1901 O LYS A 135 13.872 -0.128 -3.278 1.00 0.46 O ATOM 1902 CB LYS A 135 11.022 -0.301 -4.637 1.00 0.54 C ATOM 1903 CG LYS A 135 10.240 0.945 -5.019 1.00 0.65 C ATOM 1904 CD LYS A 135 10.167 1.132 -6.525 1.00 0.76 C ATOM 1905 CE LYS A 135 9.421 2.404 -6.890 1.00 1.05 C ATOM 1906 NZ LYS A 135 8.021 2.396 -6.388 1.00 1.94 N ATOM 0 H LYS A 135 11.827 -1.842 -6.490 1.00 0.59 H new ATOM 0 HA LYS A 135 12.746 0.704 -5.415 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.489 -1.180 -4.999 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.061 -0.377 -3.550 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.231 0.878 -4.613 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.708 1.820 -4.567 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.175 1.168 -6.938 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.669 0.274 -6.976 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.949 3.264 -6.477 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.416 2.523 -7.974 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.491 3.177 -6.825 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 7.570 1.491 -6.632 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 8.022 2.514 -5.355 1.00 1.94 H new ATOM 1920 N TYR A 136 13.748 -2.144 -4.250 1.00 0.48 N ATOM 1921 CA TYR A 136 14.739 -2.741 -3.366 1.00 0.46 C ATOM 1922 C TYR A 136 16.102 -2.094 -3.579 1.00 0.47 C ATOM 1923 O TYR A 136 16.760 -1.680 -2.628 1.00 0.48 O ATOM 1924 CB TYR A 136 14.841 -4.252 -3.597 1.00 0.48 C ATOM 1925 CG TYR A 136 16.003 -4.894 -2.870 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.146 -4.765 -1.495 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.961 -5.622 -3.563 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.211 -5.343 -0.830 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.027 -6.204 -2.905 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.148 -6.060 -1.539 1.00 0.54 C ATOM 1931 OH TYR A 136 19.208 -6.645 -0.882 1.00 0.59 O ATOM 0 H TYR A 136 13.345 -2.787 -4.931 1.00 0.48 H new ATOM 0 HA TYR A 136 14.418 -2.567 -2.339 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.914 -4.725 -3.274 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.940 -4.443 -4.666 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.413 -4.203 -0.935 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.871 -5.735 -4.633 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.307 -5.233 0.240 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.762 -6.769 -3.458 1.00 0.57 H new ATOM 0 HH TYR A 136 19.775 -7.114 -1.529 1.00 0.59 H new ATOM 1941 N GLN A 137 16.507 -1.993 -4.836 1.00 0.49 N ATOM 1942 CA GLN A 137 17.807 -1.437 -5.182 1.00 0.51 C ATOM 1943 C GLN A 137 17.786 0.060 -4.954 1.00 0.53 C ATOM 1944 O GLN A 137 18.771 0.657 -4.525 1.00 0.57 O ATOM 1945 CB GLN A 137 18.135 -1.739 -6.640 1.00 0.55 C ATOM 1946 CG GLN A 137 17.393 -2.950 -7.167 1.00 0.61 C ATOM 1947 CD GLN A 137 17.873 -3.434 -8.506 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.486 -2.910 -9.548 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.651 -4.496 -8.482 1.00 1.24 N ATOM 0 H GLN A 137 15.951 -2.291 -5.638 1.00 0.49 H new ATOM 0 HA GLN A 137 18.573 -1.889 -4.553 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.887 -0.871 -7.251 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.208 -1.903 -6.740 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.487 -3.762 -6.445 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.333 -2.709 -7.240 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.945 -4.893 -7.590 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.960 -4.922 -9.356 1.00 1.24 H new ATOM 1958 N GLU A 138 16.638 0.649 -5.249 1.00 0.53 N ATOM 1959 CA GLU A 138 16.380 2.049 -4.974 1.00 0.57 C ATOM 1960 C GLU A 138 16.588 2.356 -3.492 1.00 0.54 C ATOM 1961 O GLU A 138 17.230 3.343 -3.137 1.00 0.60 O ATOM 1962 CB GLU A 138 14.954 2.372 -5.416 1.00 0.60 C ATOM 1963 CG GLU A 138 14.354 3.630 -4.811 1.00 0.69 C ATOM 1964 CD GLU A 138 13.070 4.040 -5.501 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.146 4.570 -6.630 1.00 1.46 O ATOM 1966 OE2 GLU A 138 11.983 3.823 -4.932 1.00 2.04 O ATOM 0 H GLU A 138 15.856 0.164 -5.689 1.00 0.53 H new ATOM 0 HA GLU A 138 17.080 2.674 -5.529 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.941 2.469 -6.502 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.313 1.527 -5.164 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.158 3.464 -3.752 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.076 4.444 -4.878 1.00 0.69 H new ATOM 1973 N CYS A 139 16.060 1.497 -2.633 1.00 0.47 N ATOM 1974 CA CYS A 139 16.246 1.656 -1.203 1.00 0.44 C ATOM 1975 C CYS A 139 17.689 1.346 -0.819 1.00 0.43 C ATOM 1976 O CYS A 139 18.305 2.079 -0.046 1.00 0.42 O ATOM 1977 CB CYS A 139 15.297 0.743 -0.426 1.00 0.42 C ATOM 1978 SG CYS A 139 15.288 1.053 1.348 1.00 1.06 S ATOM 0 H CYS A 139 15.502 0.687 -2.902 1.00 0.47 H new ATOM 0 HA CYS A 139 16.022 2.691 -0.946 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.286 0.870 -0.813 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.579 -0.295 -0.603 1.00 0.42 H new ATOM 0 HG CYS A 139 14.413 1.974 1.623 1.00 1.06 H new ATOM 1984 N ASN A 140 18.225 0.261 -1.381 1.00 0.45 N ATOM 1985 CA ASN A 140 19.593 -0.167 -1.090 1.00 0.48 C ATOM 1986 C ASN A 140 20.580 0.948 -1.387 1.00 0.52 C ATOM 1987 O ASN A 140 21.429 1.274 -0.557 1.00 0.54 O ATOM 1988 CB ASN A 140 19.961 -1.421 -1.897 1.00 0.52 C ATOM 1989 CG ASN A 140 21.357 -1.932 -1.592 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.877 -1.749 -0.488 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.969 -2.595 -2.561 1.00 1.13 N ATOM 0 H ASN A 140 17.730 -0.338 -2.042 1.00 0.45 H new ATOM 0 HA ASN A 140 19.646 -0.410 -0.029 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.237 -2.208 -1.685 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.886 -1.197 -2.961 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.903 -2.975 -2.408 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.506 -2.726 -3.461 1.00 1.13 H new ATOM 1998 N LYS A 141 20.453 1.554 -2.560 1.00 0.56 N ATOM 1999 CA LYS A 141 21.353 2.624 -2.942 1.00 0.63 C ATOM 2000 C LYS A 141 21.171 3.829 -2.033 1.00 0.60 C ATOM 2001 O LYS A 141 22.140 4.502 -1.704 1.00 0.65 O ATOM 2002 CB LYS A 141 21.169 3.030 -4.405 1.00 0.70 C ATOM 2003 CG LYS A 141 19.820 3.642 -4.724 1.00 0.69 C ATOM 2004 CD LYS A 141 19.878 4.409 -6.027 1.00 0.81 C ATOM 2005 CE LYS A 141 18.543 5.049 -6.369 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.569 5.692 -7.711 1.00 1.15 N ATOM 0 H LYS A 141 19.742 1.323 -3.254 1.00 0.56 H new ATOM 0 HA LYS A 141 22.369 2.246 -2.830 1.00 0.63 H new ATOM 0 HB2 LYS A 141 21.949 3.743 -4.672 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.312 2.151 -5.033 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.066 2.858 -4.790 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.517 4.309 -3.917 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.644 5.182 -5.959 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.174 3.736 -6.831 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.759 4.292 -6.343 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.292 5.793 -5.613 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.641 6.118 -7.910 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.300 6.431 -7.728 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.784 4.977 -8.435 1.00 1.15 H new ATOM 2020 N ILE A 142 19.937 4.086 -1.612 1.00 0.54 N ATOM 2021 CA ILE A 142 19.661 5.197 -0.712 1.00 0.52 C ATOM 2022 C ILE A 142 20.280 4.957 0.662 1.00 0.49 C ATOM 2023 O ILE A 142 20.758 5.889 1.317 1.00 0.51 O ATOM 2024 CB ILE A 142 18.153 5.484 -0.606 1.00 0.50 C ATOM 2025 CG1 ILE A 142 17.692 6.179 -1.888 1.00 0.58 C ATOM 2026 CG2 ILE A 142 17.850 6.342 0.612 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.243 6.623 -1.871 1.00 0.60 C ATOM 0 H ILE A 142 19.116 3.542 -1.879 1.00 0.54 H new ATOM 0 HA ILE A 142 20.127 6.086 -1.137 1.00 0.52 H new ATOM 0 HB ILE A 142 17.612 4.545 -0.486 1.00 0.50 H new ATOM 0 HG12 ILE A 142 18.324 7.049 -2.063 1.00 0.58 H new ATOM 0 HG13 ILE A 142 17.842 5.502 -2.729 1.00 0.58 H new ATOM 0 HG21 ILE A 142 16.778 6.532 0.666 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.172 5.821 1.513 1.00 0.49 H new ATOM 0 HG23 ILE A 142 18.382 7.290 0.531 1.00 0.49 H new ATOM 0 HD11 ILE A 142 15.999 7.106 -2.817 1.00 0.60 H new ATOM 0 HD12 ILE A 142 15.598 5.756 -1.730 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.088 7.327 -1.054 1.00 0.60 H new ATOM 2039 N VAL A 143 20.299 3.704 1.083 1.00 0.46 N ATOM 2040 CA VAL A 143 21.021 3.320 2.284 1.00 0.47 C ATOM 2041 C VAL A 143 22.496 3.710 2.157 1.00 0.56 C ATOM 2042 O VAL A 143 23.119 4.166 3.119 1.00 0.59 O ATOM 2043 CB VAL A 143 20.898 1.804 2.553 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.847 1.371 3.657 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.467 1.443 2.914 1.00 0.41 C ATOM 0 H VAL A 143 19.823 2.935 0.611 1.00 0.46 H new ATOM 0 HA VAL A 143 20.578 3.850 3.127 1.00 0.47 H new ATOM 0 HB VAL A 143 21.172 1.274 1.641 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.742 0.300 3.828 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.873 1.592 3.363 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.608 1.910 4.574 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.398 0.371 3.100 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.170 1.987 3.810 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.805 1.711 2.090 1.00 0.41 H new ATOM 2055 N LYS A 144 23.029 3.561 0.951 1.00 0.63 N ATOM 2056 CA LYS A 144 24.418 3.908 0.667 1.00 0.74 C ATOM 2057 C LYS A 144 24.590 5.418 0.620 1.00 0.76 C ATOM 2058 O LYS A 144 25.646 5.941 0.978 1.00 0.85 O ATOM 2059 CB LYS A 144 24.850 3.316 -0.672 1.00 0.84 C ATOM 2060 CG LYS A 144 24.416 1.880 -0.857 1.00 0.83 C ATOM 2061 CD LYS A 144 24.707 1.383 -2.263 1.00 1.10 C ATOM 2062 CE LYS A 144 24.320 -0.074 -2.437 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.472 -0.520 -3.847 1.00 2.23 N ATOM 0 H LYS A 144 22.516 3.199 0.147 1.00 0.63 H new ATOM 0 HA LYS A 144 25.038 3.498 1.464 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.436 3.920 -1.479 1.00 0.84 H new ATOM 0 HB3 LYS A 144 25.935 3.374 -0.754 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.931 1.248 -0.133 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.349 1.793 -0.654 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.162 1.992 -2.984 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.768 1.506 -2.480 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.940 -0.695 -1.790 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.287 -0.216 -2.120 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.198 -1.520 -3.926 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 23.861 0.056 -4.461 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.463 -0.408 -4.142 1.00 2.23 H new ATOM 2077 N GLN A 145 23.547 6.111 0.168 1.00 0.70 N ATOM 2078 CA GLN A 145 23.573 7.566 0.092 1.00 0.74 C ATOM 2079 C GLN A 145 23.835 8.138 1.469 1.00 0.75 C ATOM 2080 O GLN A 145 24.511 9.156 1.626 1.00 0.84 O ATOM 2081 CB GLN A 145 22.248 8.118 -0.422 1.00 0.71 C ATOM 2082 CG GLN A 145 21.723 7.402 -1.644 1.00 0.72 C ATOM 2083 CD GLN A 145 22.494 7.694 -2.916 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.705 7.912 -2.898 1.00 1.36 O ATOM 2085 NE2 GLN A 145 21.785 7.722 -4.031 1.00 1.27 N ATOM 0 H GLN A 145 22.676 5.687 -0.150 1.00 0.70 H new ATOM 0 HA GLN A 145 24.364 7.853 -0.600 1.00 0.74 H new ATOM 0 HB2 GLN A 145 21.505 8.053 0.373 1.00 0.71 H new ATOM 0 HB3 GLN A 145 22.372 9.175 -0.657 1.00 0.71 H new ATOM 0 HG2 GLN A 145 21.744 6.328 -1.459 1.00 0.72 H new ATOM 0 HG3 GLN A 145 20.680 7.680 -1.793 1.00 0.72 H new ATOM 0 HE21 GLN A 145 20.783 7.535 -4.003 1.00 1.27 H new ATOM 0 HE22 GLN A 145 22.240 7.930 -4.920 1.00 1.27 H new ATOM 2094 N LYS A 146 23.290 7.448 2.459 1.00 0.67 N ATOM 2095 CA LYS A 146 23.405 7.846 3.845 1.00 0.70 C ATOM 2096 C LYS A 146 24.858 7.831 4.291 1.00 0.84 C ATOM 2097 O LYS A 146 25.460 8.879 4.534 1.00 0.94 O ATOM 2098 CB LYS A 146 22.604 6.890 4.726 1.00 0.58 C ATOM 2099 CG LYS A 146 21.128 6.823 4.382 1.00 0.58 C ATOM 2100 CD LYS A 146 20.342 5.979 5.378 1.00 0.64 C ATOM 2101 CE LYS A 146 20.925 4.583 5.563 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.941 4.526 6.653 1.00 1.73 N ATOM 0 H LYS A 146 22.753 6.592 2.318 1.00 0.67 H new ATOM 0 HA LYS A 146 23.014 8.859 3.943 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.032 5.891 4.642 1.00 0.58 H new ATOM 0 HB3 LYS A 146 22.710 7.196 5.767 1.00 0.58 H new ATOM 0 HG2 LYS A 146 20.716 7.832 4.359 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.008 6.407 3.382 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.321 6.489 6.341 1.00 0.64 H new ATOM 0 HD3 LYS A 146 19.309 5.894 5.039 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.119 3.883 5.785 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.381 4.257 4.628 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 22.813 4.088 6.292 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 22.149 5.490 6.985 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 21.571 3.960 7.443 1.00 1.73 H new ATOM 2116 N ALA A 147 25.405 6.624 4.368 1.00 1.04 N ATOM 2117 CA ALA A 147 26.757 6.401 4.856 1.00 1.25 C ATOM 2118 C ALA A 147 27.075 4.916 4.806 1.00 1.72 C ATOM 2119 O ALA A 147 26.709 4.197 5.760 1.00 2.32 O ATOM 2120 CB ALA A 147 26.923 6.930 6.276 1.00 1.87 C ATOM 2121 OXT ALA A 147 27.663 4.469 3.803 1.00 2.18 O ATOM 0 H ALA A 147 24.920 5.770 4.092 1.00 1.04 H new ATOM 0 HA ALA A 147 27.452 6.944 4.215 1.00 1.25 H new ATOM 0 HB1 ALA A 147 27.943 6.750 6.615 1.00 1.87 H new ATOM 0 HB2 ALA A 147 26.720 8.001 6.291 1.00 1.87 H new ATOM 0 HB3 ALA A 147 26.225 6.418 6.939 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -5.044 -3.285 -13.949 1.00 5.84 C HETATM 2129 O ACE B 0 -3.840 -3.551 -13.997 1.00 5.72 O HETATM 2130 CH3 ACE B 0 -5.665 -2.361 -14.968 1.00 6.73 C HETATM 0 H1 ACE B 0 -6.447 -2.892 -15.512 1.00 6.73 H new HETATM 0 H2 ACE B 0 -6.097 -1.498 -14.461 1.00 6.73 H new HETATM 0 H3 ACE B 0 -4.900 -2.025 -15.668 1.00 6.73 H new ATOM 2134 N MET B 1 -5.870 -3.764 -13.014 1.00 5.58 N ATOM 2135 CA MET B 1 -5.445 -4.697 -11.961 1.00 5.12 C ATOM 2136 C MET B 1 -4.633 -3.990 -10.883 1.00 4.50 C ATOM 2137 O MET B 1 -4.029 -4.633 -10.024 1.00 4.70 O ATOM 2138 CB MET B 1 -4.656 -5.885 -12.529 1.00 5.46 C ATOM 2139 CG MET B 1 -5.496 -6.829 -13.374 1.00 6.11 C ATOM 2140 SD MET B 1 -6.906 -7.505 -12.471 1.00 6.75 S ATOM 2141 CE MET B 1 -6.078 -8.305 -11.097 1.00 6.84 C ATOM 0 H MET B 1 -6.858 -3.515 -12.964 1.00 5.58 H new ATOM 0 HA MET B 1 -6.355 -5.087 -11.506 1.00 5.12 H new ATOM 0 HB2 MET B 1 -3.832 -5.507 -13.134 1.00 5.46 H new ATOM 0 HB3 MET B 1 -4.215 -6.445 -11.704 1.00 5.46 H new ATOM 0 HG2 MET B 1 -5.855 -6.298 -14.256 1.00 6.11 H new ATOM 0 HG3 MET B 1 -4.870 -7.648 -13.728 1.00 6.11 H new ATOM 0 HE1 MET B 1 -6.771 -8.985 -10.601 1.00 6.84 H new ATOM 0 HE2 MET B 1 -5.220 -8.867 -11.466 1.00 6.84 H new ATOM 0 HE3 MET B 1 -5.739 -7.550 -10.387 1.00 6.84 H new ATOM 2151 N GLU B 2 -4.634 -2.667 -10.930 1.00 4.17 N ATOM 2152 CA GLU B 2 -4.024 -1.855 -9.891 1.00 3.92 C ATOM 2153 C GLU B 2 -4.630 -0.464 -9.936 1.00 3.09 C ATOM 2154 O GLU B 2 -3.971 0.517 -10.302 1.00 3.38 O ATOM 2155 CB GLU B 2 -2.498 -1.779 -10.030 1.00 4.79 C ATOM 2156 CG GLU B 2 -1.827 -1.117 -8.832 1.00 5.50 C ATOM 2157 CD GLU B 2 -0.323 -1.012 -8.966 1.00 6.27 C ATOM 2158 OE1 GLU B 2 0.157 -0.027 -9.566 1.00 6.64 O ATOM 2159 OE2 GLU B 2 0.389 -1.923 -8.492 1.00 6.76 O ATOM 0 H GLU B 2 -5.056 -2.128 -11.686 1.00 4.17 H new ATOM 0 HA GLU B 2 -4.226 -2.324 -8.928 1.00 3.92 H new ATOM 0 HB2 GLU B 2 -2.099 -2.786 -10.154 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -2.247 -1.223 -10.934 1.00 4.79 H new ATOM 0 HG2 GLU B 2 -2.243 -0.118 -8.698 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -2.065 -1.684 -7.932 1.00 5.50 H new ATOM 2166 N GLU B 3 -5.909 -0.397 -9.621 1.00 2.63 N ATOM 2167 CA GLU B 3 -6.616 0.862 -9.581 1.00 2.33 C ATOM 2168 C GLU B 3 -6.419 1.472 -8.209 1.00 1.99 C ATOM 2169 O GLU B 3 -7.192 1.199 -7.288 1.00 2.69 O ATOM 2170 CB GLU B 3 -8.108 0.674 -9.892 1.00 2.76 C ATOM 2171 CG GLU B 3 -8.410 0.361 -11.357 1.00 3.28 C ATOM 2172 CD GLU B 3 -7.777 -0.929 -11.848 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -8.359 -2.009 -11.622 1.00 4.29 O ATOM 2174 OE2 GLU B 3 -6.691 -0.864 -12.466 1.00 4.07 O ATOM 0 H GLU B 3 -6.481 -1.209 -9.388 1.00 2.63 H new ATOM 0 HA GLU B 3 -6.218 1.530 -10.345 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -8.497 -0.134 -9.272 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -8.643 1.580 -9.608 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -9.490 0.300 -11.491 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -8.058 1.187 -11.976 1.00 3.28 H new ATOM 2181 N VAL B 4 -5.351 2.268 -8.100 1.00 1.33 N ATOM 2182 CA VAL B 4 -4.850 2.793 -6.828 1.00 1.08 C ATOM 2183 C VAL B 4 -4.851 1.709 -5.737 1.00 0.96 C ATOM 2184 O VAL B 4 -5.653 1.714 -4.800 1.00 1.58 O ATOM 2185 CB VAL B 4 -5.561 4.108 -6.375 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -7.071 3.974 -6.325 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -5.025 4.579 -5.031 1.00 1.88 C ATOM 0 H VAL B 4 -4.803 2.570 -8.905 1.00 1.33 H new ATOM 0 HA VAL B 4 -3.813 3.081 -6.998 1.00 1.08 H new ATOM 0 HB VAL B 4 -5.334 4.858 -7.132 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -7.510 4.919 -6.004 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -7.447 3.718 -7.316 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -7.343 3.189 -5.619 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -5.535 5.496 -4.737 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -5.200 3.809 -4.279 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -3.955 4.770 -5.113 1.00 1.88 H new ATOM 2197 N ASP B 5 -3.943 0.754 -5.911 1.00 0.80 N ATOM 2198 CA ASP B 5 -3.781 -0.356 -4.981 1.00 0.80 C ATOM 2199 C ASP B 5 -2.331 -0.438 -4.531 1.00 1.61 C ATOM 2200 O ASP B 5 -2.020 -0.020 -3.401 1.00 2.34 O ATOM 2201 CB ASP B 5 -4.183 -1.691 -5.627 1.00 1.41 C ATOM 2202 CG ASP B 5 -5.671 -1.819 -5.885 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -6.439 -1.994 -4.913 1.00 2.81 O ATOM 2204 OD2 ASP B 5 -6.090 -1.723 -7.058 1.00 3.06 O ATOM 2205 OXT ASP B 5 -1.491 -0.890 -5.339 1.00 2.28 O ATOM 0 H ASP B 5 -3.299 0.729 -6.701 1.00 0.80 H new ATOM 0 HA ASP B 5 -4.432 -0.176 -4.126 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -3.649 -1.804 -6.570 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -3.864 -2.508 -4.980 1.00 1.41 H new TER 2210 ASP B 5