USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 948 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.348 K(o=0.35,f=-5.8!) USER MOD Single : A 39 SER OG : rot 39:sc= 0.0543 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= 1.16 (180deg=0.253) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 160:sc= 0.22 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -0:sc= 1.14 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 1.46 (180deg=1.26) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0.699 (180deg=0.583) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0755) USER MOD Single : A 76 MET CE :methyl -137:sc= -2.14 (180deg=-4.13!) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -1.91! (180deg=-2.18!) USER MOD Single : A 79 SER OG : rot 63:sc= 0.239 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.051 (180deg=-0.37) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00334 USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0391) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 0.878 (180deg=-0.361!) USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= 1.12 (180deg=0.618) USER MOD Single : A 110 ASN : amide:sc= -1.11 K(o=-1.1,f=0.81) USER MOD Single : A 111 HIS : no HE2:sc= 0.857 K(o=0.86,f=-4.5!) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 1.17 (180deg=0.8) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0.829) USER MOD Single : A 138 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.017) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD Single : B 146 LYS NZ :NH3+ 170:sc= -0.0053 (180deg=-0.208) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -2.58! C(o=-2.6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -31.321 8.540 15.303 1.00 11.68 N ATOM 2 CA GLY A 35 -31.479 7.951 13.955 1.00 11.24 C ATOM 3 C GLY A 35 -30.470 6.855 13.684 1.00 10.62 C ATOM 4 O GLY A 35 -29.263 7.107 13.692 1.00 10.28 O ATOM 0 HA2 GLY A 35 -32.486 7.547 13.853 1.00 11.24 H new ATOM 0 HA3 GLY A 35 -31.372 8.734 13.204 1.00 11.24 H new ATOM 10 N PRO A 36 -30.934 5.616 13.454 1.00 10.58 N ATOM 11 CA PRO A 36 -30.060 4.491 13.135 1.00 10.06 C ATOM 12 C PRO A 36 -29.541 4.578 11.704 1.00 9.08 C ATOM 13 O PRO A 36 -30.267 4.295 10.746 1.00 8.86 O ATOM 14 CB PRO A 36 -30.964 3.254 13.307 1.00 10.56 C ATOM 15 CG PRO A 36 -32.247 3.760 13.885 1.00 11.24 C ATOM 16 CD PRO A 36 -32.342 5.203 13.483 1.00 11.17 C ATOM 0 HA PRO A 36 -29.176 4.464 13.772 1.00 10.06 H new ATOM 0 HB2 PRO A 36 -31.135 2.759 12.351 1.00 10.56 H new ATOM 0 HB3 PRO A 36 -30.501 2.521 13.967 1.00 10.56 H new ATOM 0 HG2 PRO A 36 -33.097 3.193 13.505 1.00 11.24 H new ATOM 0 HG3 PRO A 36 -32.254 3.656 14.970 1.00 11.24 H new ATOM 0 HD2 PRO A 36 -32.821 5.323 12.511 1.00 11.17 H new ATOM 0 HD3 PRO A 36 -32.922 5.787 14.198 1.00 11.17 H new ATOM 24 N LEU A 37 -28.296 5.008 11.564 1.00 8.62 N ATOM 25 CA LEU A 37 -27.676 5.116 10.253 1.00 7.75 C ATOM 26 C LEU A 37 -27.176 3.755 9.792 1.00 7.28 C ATOM 27 O LEU A 37 -26.727 2.943 10.603 1.00 7.65 O ATOM 28 CB LEU A 37 -26.530 6.129 10.278 1.00 7.67 C ATOM 29 CG LEU A 37 -26.936 7.560 10.643 1.00 8.22 C ATOM 30 CD1 LEU A 37 -25.720 8.476 10.626 1.00 8.45 C ATOM 31 CD2 LEU A 37 -28.016 8.074 9.694 1.00 8.21 C ATOM 0 H LEU A 37 -27.697 5.287 12.341 1.00 8.62 H new ATOM 0 HA LEU A 37 -28.426 5.469 9.545 1.00 7.75 H new ATOM 0 HB2 LEU A 37 -25.779 5.788 10.991 1.00 7.67 H new ATOM 0 HB3 LEU A 37 -26.055 6.142 9.297 1.00 7.67 H new ATOM 0 HG LEU A 37 -27.349 7.555 11.652 1.00 8.22 H new ATOM 0 HD11 LEU A 37 -26.024 9.490 10.887 1.00 8.45 H new ATOM 0 HD12 LEU A 37 -24.986 8.120 11.349 1.00 8.45 H new ATOM 0 HD13 LEU A 37 -25.278 8.475 9.630 1.00 8.45 H new ATOM 0 HD21 LEU A 37 -28.290 9.092 9.971 1.00 8.21 H new ATOM 0 HD22 LEU A 37 -27.636 8.066 8.672 1.00 8.21 H new ATOM 0 HD23 LEU A 37 -28.894 7.432 9.760 1.00 8.21 H new ATOM 43 N GLY A 38 -27.258 3.515 8.489 1.00 6.64 N ATOM 44 CA GLY A 38 -26.893 2.225 7.940 1.00 6.23 C ATOM 45 C GLY A 38 -25.393 2.032 7.824 1.00 5.52 C ATOM 46 O GLY A 38 -24.617 2.970 8.017 1.00 5.30 O ATOM 0 H GLY A 38 -27.573 4.197 7.799 1.00 6.64 H new ATOM 0 HA2 GLY A 38 -27.307 1.438 8.570 1.00 6.23 H new ATOM 0 HA3 GLY A 38 -27.345 2.115 6.954 1.00 6.23 H new ATOM 50 N SER A 39 -24.992 0.810 7.516 1.00 5.34 N ATOM 51 CA SER A 39 -23.587 0.487 7.345 1.00 4.78 C ATOM 52 C SER A 39 -23.166 0.720 5.896 1.00 4.17 C ATOM 53 O SER A 39 -23.785 0.191 4.969 1.00 4.30 O ATOM 54 CB SER A 39 -23.336 -0.968 7.760 1.00 5.21 C ATOM 55 OG SER A 39 -24.345 -1.826 7.245 1.00 5.85 O ATOM 0 H SER A 39 -25.624 0.022 7.379 1.00 5.34 H new ATOM 0 HA SER A 39 -22.987 1.138 7.981 1.00 4.78 H new ATOM 0 HB2 SER A 39 -22.360 -1.290 7.397 1.00 5.21 H new ATOM 0 HB3 SER A 39 -23.312 -1.041 8.847 1.00 5.21 H new ATOM 0 HG SER A 39 -24.579 -1.547 6.335 1.00 5.85 H new ATOM 61 N ASP A 40 -22.129 1.524 5.703 1.00 3.75 N ATOM 62 CA ASP A 40 -21.629 1.819 4.371 1.00 3.33 C ATOM 63 C ASP A 40 -20.626 0.762 3.941 1.00 2.95 C ATOM 64 O ASP A 40 -19.455 0.807 4.317 1.00 3.12 O ATOM 65 CB ASP A 40 -20.990 3.210 4.325 1.00 3.57 C ATOM 66 CG ASP A 40 -20.555 3.602 2.926 1.00 3.59 C ATOM 67 OD1 ASP A 40 -21.351 3.426 1.977 1.00 4.01 O ATOM 68 OD2 ASP A 40 -19.400 4.057 2.761 1.00 3.65 O ATOM 0 H ASP A 40 -21.618 1.984 6.456 1.00 3.75 H new ATOM 0 HA ASP A 40 -22.471 1.808 3.678 1.00 3.33 H new ATOM 0 HB2 ASP A 40 -21.701 3.946 4.701 1.00 3.57 H new ATOM 0 HB3 ASP A 40 -20.127 3.232 4.990 1.00 3.57 H new ATOM 73 N ASP A 41 -21.102 -0.209 3.179 1.00 2.83 N ATOM 74 CA ASP A 41 -20.257 -1.299 2.722 1.00 2.69 C ATOM 75 C ASP A 41 -19.847 -1.067 1.278 1.00 2.13 C ATOM 76 O ASP A 41 -20.607 -1.335 0.344 1.00 2.29 O ATOM 77 CB ASP A 41 -20.973 -2.645 2.867 1.00 3.37 C ATOM 78 CG ASP A 41 -20.073 -3.823 2.540 1.00 3.54 C ATOM 79 OD1 ASP A 41 -19.121 -4.079 3.306 1.00 3.81 O ATOM 80 OD2 ASP A 41 -20.321 -4.511 1.530 1.00 3.86 O ATOM 0 H ASP A 41 -22.070 -0.264 2.864 1.00 2.83 H new ATOM 0 HA ASP A 41 -19.362 -1.327 3.344 1.00 2.69 H new ATOM 0 HB2 ASP A 41 -21.343 -2.747 3.887 1.00 3.37 H new ATOM 0 HB3 ASP A 41 -21.842 -2.663 2.209 1.00 3.37 H new ATOM 85 N VAL A 42 -18.658 -0.525 1.108 1.00 1.70 N ATOM 86 CA VAL A 42 -18.128 -0.228 -0.209 1.00 1.24 C ATOM 87 C VAL A 42 -17.366 -1.439 -0.748 1.00 1.05 C ATOM 88 O VAL A 42 -16.872 -2.262 0.026 1.00 1.25 O ATOM 89 CB VAL A 42 -17.210 1.017 -0.150 1.00 1.36 C ATOM 90 CG1 VAL A 42 -15.961 0.737 0.673 1.00 1.61 C ATOM 91 CG2 VAL A 42 -16.849 1.506 -1.542 1.00 1.84 C ATOM 0 H VAL A 42 -18.033 -0.278 1.876 1.00 1.70 H new ATOM 0 HA VAL A 42 -18.955 -0.009 -0.885 1.00 1.24 H new ATOM 0 HB VAL A 42 -17.766 1.813 0.344 1.00 1.36 H new ATOM 0 HG11 VAL A 42 -15.334 1.628 0.698 1.00 1.61 H new ATOM 0 HG12 VAL A 42 -16.248 0.467 1.689 1.00 1.61 H new ATOM 0 HG13 VAL A 42 -15.405 -0.085 0.222 1.00 1.61 H new ATOM 0 HG21 VAL A 42 -16.204 2.381 -1.464 1.00 1.84 H new ATOM 0 HG22 VAL A 42 -16.326 0.716 -2.081 1.00 1.84 H new ATOM 0 HG23 VAL A 42 -17.758 1.772 -2.081 1.00 1.84 H new ATOM 101 N GLU A 43 -17.279 -1.559 -2.066 1.00 1.01 N ATOM 102 CA GLU A 43 -16.603 -2.697 -2.668 1.00 1.02 C ATOM 103 C GLU A 43 -15.090 -2.517 -2.638 1.00 0.87 C ATOM 104 O GLU A 43 -14.484 -1.993 -3.575 1.00 0.83 O ATOM 105 CB GLU A 43 -17.082 -2.966 -4.106 1.00 1.31 C ATOM 106 CG GLU A 43 -17.099 -1.749 -5.021 1.00 1.47 C ATOM 107 CD GLU A 43 -18.296 -0.859 -4.777 1.00 2.31 C ATOM 108 OE1 GLU A 43 -19.389 -1.176 -5.286 1.00 2.57 O ATOM 109 OE2 GLU A 43 -18.156 0.148 -4.064 1.00 3.02 O ATOM 0 H GLU A 43 -17.664 -0.889 -2.732 1.00 1.01 H new ATOM 0 HA GLU A 43 -16.863 -3.568 -2.067 1.00 1.02 H new ATOM 0 HB2 GLU A 43 -16.439 -3.726 -4.550 1.00 1.31 H new ATOM 0 HB3 GLU A 43 -18.088 -3.384 -4.065 1.00 1.31 H new ATOM 0 HG2 GLU A 43 -16.186 -1.173 -4.872 1.00 1.47 H new ATOM 0 HG3 GLU A 43 -17.101 -2.079 -6.060 1.00 1.47 H new ATOM 116 N TRP A 44 -14.489 -2.935 -1.538 1.00 0.85 N ATOM 117 CA TRP A 44 -13.043 -2.942 -1.418 1.00 0.73 C ATOM 118 C TRP A 44 -12.508 -4.203 -2.085 1.00 0.63 C ATOM 119 O TRP A 44 -12.483 -5.276 -1.476 1.00 0.64 O ATOM 120 CB TRP A 44 -12.627 -2.881 0.057 1.00 0.78 C ATOM 121 CG TRP A 44 -11.195 -2.480 0.270 1.00 0.67 C ATOM 122 CD1 TRP A 44 -10.570 -1.385 -0.246 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.220 -3.157 1.072 1.00 0.61 C ATOM 124 NE1 TRP A 44 -9.264 -1.342 0.176 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.025 -2.416 0.991 1.00 0.60 C ATOM 126 CE3 TRP A 44 -10.239 -4.314 1.851 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -7.866 -2.802 1.659 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -9.088 -4.693 2.514 1.00 0.67 C ATOM 129 CH2 TRP A 44 -7.917 -3.939 2.415 1.00 0.67 C ATOM 0 H TRP A 44 -14.983 -3.275 -0.713 1.00 0.85 H new ATOM 0 HA TRP A 44 -12.624 -2.065 -1.912 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.273 -2.174 0.578 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.792 -3.858 0.511 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -11.035 -0.656 -0.893 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -8.583 -0.626 -0.077 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -11.140 -4.904 1.934 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -6.958 -2.223 1.582 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -9.094 -5.588 3.119 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -7.034 -4.261 2.947 1.00 0.67 H new ATOM 140 N VAL A 45 -12.111 -4.069 -3.350 1.00 0.62 N ATOM 141 CA VAL A 45 -11.677 -5.210 -4.159 1.00 0.60 C ATOM 142 C VAL A 45 -10.527 -5.967 -3.517 1.00 0.54 C ATOM 143 O VAL A 45 -10.367 -7.162 -3.740 1.00 0.62 O ATOM 144 CB VAL A 45 -11.264 -4.792 -5.587 1.00 0.73 C ATOM 145 CG1 VAL A 45 -12.474 -4.306 -6.370 1.00 1.24 C ATOM 146 CG2 VAL A 45 -10.174 -3.727 -5.557 1.00 1.09 C ATOM 0 H VAL A 45 -12.081 -3.175 -3.841 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.545 -5.867 -4.219 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.856 -5.668 -6.091 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -12.165 -4.015 -7.374 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -13.211 -5.106 -6.435 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -12.914 -3.447 -5.863 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -9.904 -3.453 -6.577 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -10.540 -2.846 -5.030 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -9.297 -4.119 -5.043 1.00 1.09 H new ATOM 156 N VAL A 46 -9.750 -5.274 -2.695 1.00 0.52 N ATOM 157 CA VAL A 46 -8.607 -5.880 -2.033 1.00 0.53 C ATOM 158 C VAL A 46 -9.053 -7.005 -1.100 1.00 0.52 C ATOM 159 O VAL A 46 -8.270 -7.882 -0.752 1.00 0.51 O ATOM 160 CB VAL A 46 -7.799 -4.824 -1.249 1.00 0.63 C ATOM 161 CG1 VAL A 46 -6.537 -5.423 -0.646 1.00 1.25 C ATOM 162 CG2 VAL A 46 -7.449 -3.656 -2.154 1.00 1.30 C ATOM 0 H VAL A 46 -9.893 -4.289 -2.472 1.00 0.52 H new ATOM 0 HA VAL A 46 -7.962 -6.304 -2.803 1.00 0.53 H new ATOM 0 HB VAL A 46 -8.421 -4.466 -0.429 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -5.993 -4.652 -0.101 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -6.807 -6.228 0.038 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -5.906 -5.819 -1.442 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -6.879 -2.917 -1.591 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -6.852 -4.012 -2.993 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -8.365 -3.199 -2.529 1.00 1.30 H new ATOM 172 N GLY A 47 -10.330 -6.996 -0.727 1.00 0.57 N ATOM 173 CA GLY A 47 -10.875 -8.070 0.087 1.00 0.58 C ATOM 174 C GLY A 47 -10.810 -9.412 -0.624 1.00 0.57 C ATOM 175 O GLY A 47 -10.802 -10.463 0.016 1.00 0.62 O ATOM 0 H GLY A 47 -10.997 -6.265 -0.974 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -10.323 -8.130 1.025 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -11.911 -7.843 0.340 1.00 0.58 H new ATOM 179 N LYS A 48 -10.752 -9.369 -1.953 1.00 0.59 N ATOM 180 CA LYS A 48 -10.633 -10.571 -2.770 1.00 0.67 C ATOM 181 C LYS A 48 -9.165 -10.973 -2.865 1.00 0.65 C ATOM 182 O LYS A 48 -8.822 -12.146 -3.009 1.00 0.80 O ATOM 183 CB LYS A 48 -11.167 -10.296 -4.182 1.00 0.77 C ATOM 184 CG LYS A 48 -12.467 -9.506 -4.226 1.00 1.27 C ATOM 185 CD LYS A 48 -13.613 -10.225 -3.535 1.00 1.65 C ATOM 186 CE LYS A 48 -14.880 -9.389 -3.604 1.00 2.24 C ATOM 187 NZ LYS A 48 -16.053 -10.067 -2.988 1.00 2.99 N ATOM 0 H LYS A 48 -10.786 -8.503 -2.491 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.211 -11.374 -2.312 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -10.408 -9.752 -4.744 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -11.319 -11.248 -4.691 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -12.314 -8.536 -3.753 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -12.737 -9.315 -5.265 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -13.782 -11.193 -4.008 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -13.354 -10.420 -2.494 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -14.710 -8.438 -3.100 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -15.104 -9.162 -4.646 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -16.888 -9.452 -3.063 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -16.236 -10.963 -3.484 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -15.855 -10.261 -1.986 1.00 2.99 H new ATOM 201 N ASP A 49 -8.318 -9.966 -2.756 1.00 0.61 N ATOM 202 CA ASP A 49 -6.871 -10.109 -2.907 1.00 0.70 C ATOM 203 C ASP A 49 -6.213 -10.554 -1.599 1.00 0.53 C ATOM 204 O ASP A 49 -5.169 -11.211 -1.600 1.00 0.46 O ATOM 205 CB ASP A 49 -6.273 -8.756 -3.308 1.00 0.96 C ATOM 206 CG ASP A 49 -6.607 -8.291 -4.717 1.00 1.38 C ATOM 207 OD1 ASP A 49 -7.817 -8.191 -5.046 1.00 1.82 O ATOM 208 OD2 ASP A 49 -5.680 -8.094 -5.521 1.00 1.80 O ATOM 0 H ASP A 49 -8.614 -9.010 -2.557 1.00 0.61 H new ATOM 0 HA ASP A 49 -6.685 -10.865 -3.670 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -6.619 -8.001 -2.602 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -5.189 -8.812 -3.209 1.00 0.96 H new ATOM 213 N LYS A 50 -6.849 -10.187 -0.494 1.00 0.52 N ATOM 214 CA LYS A 50 -6.268 -10.289 0.847 1.00 0.46 C ATOM 215 C LYS A 50 -5.598 -11.622 1.169 1.00 0.43 C ATOM 216 O LYS A 50 -4.435 -11.614 1.550 1.00 0.43 O ATOM 217 CB LYS A 50 -7.312 -9.964 1.910 1.00 0.51 C ATOM 218 CG LYS A 50 -7.552 -8.477 2.075 1.00 0.55 C ATOM 219 CD LYS A 50 -6.294 -7.752 2.514 1.00 0.74 C ATOM 220 CE LYS A 50 -6.197 -7.628 4.032 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.839 -8.913 4.696 1.00 0.93 N ATOM 0 H LYS A 50 -7.795 -9.805 -0.499 1.00 0.52 H new ATOM 0 HA LYS A 50 -5.466 -9.551 0.856 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.252 -10.450 1.648 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -6.992 -10.382 2.864 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -7.903 -8.058 1.132 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.341 -8.315 2.810 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -5.420 -8.285 2.139 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -6.276 -6.757 2.069 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -5.450 -6.875 4.283 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -7.151 -7.275 4.425 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -5.236 -8.721 5.521 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -6.706 -9.397 5.006 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -5.325 -9.519 4.025 1.00 0.93 H new ATOM 235 N PRO A 51 -6.283 -12.777 1.030 1.00 0.46 N ATOM 236 CA PRO A 51 -5.730 -14.077 1.455 1.00 0.48 C ATOM 237 C PRO A 51 -4.321 -14.326 0.916 1.00 0.42 C ATOM 238 O PRO A 51 -3.434 -14.790 1.637 1.00 0.44 O ATOM 239 CB PRO A 51 -6.704 -15.104 0.863 1.00 0.57 C ATOM 240 CG PRO A 51 -7.543 -14.340 -0.106 1.00 0.54 C ATOM 241 CD PRO A 51 -7.619 -12.945 0.434 1.00 0.51 C ATOM 0 HA PRO A 51 -5.637 -14.129 2.540 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -6.168 -15.913 0.367 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -7.317 -15.558 1.641 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -7.099 -14.351 -1.101 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.536 -14.780 -0.195 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -7.811 -12.213 -0.351 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.413 -12.836 1.173 1.00 0.51 H new ATOM 249 N THR A 52 -4.116 -13.973 -0.344 1.00 0.39 N ATOM 250 CA THR A 52 -2.852 -14.236 -1.016 1.00 0.41 C ATOM 251 C THR A 52 -1.740 -13.341 -0.464 1.00 0.35 C ATOM 252 O THR A 52 -0.630 -13.801 -0.168 1.00 0.38 O ATOM 253 CB THR A 52 -2.995 -14.016 -2.536 1.00 0.51 C ATOM 254 OG1 THR A 52 -4.108 -14.783 -3.026 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.725 -14.431 -3.271 1.00 0.56 C ATOM 0 H THR A 52 -4.811 -13.502 -0.923 1.00 0.39 H new ATOM 0 HA THR A 52 -2.583 -15.276 -0.829 1.00 0.41 H new ATOM 0 HB THR A 52 -3.164 -12.955 -2.718 1.00 0.51 H new ATOM 0 HG1 THR A 52 -4.202 -14.643 -3.991 1.00 0.67 H new ATOM 0 HG21 THR A 52 -1.853 -14.265 -4.341 1.00 0.56 H new ATOM 0 HG22 THR A 52 -0.885 -13.837 -2.910 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.528 -15.487 -3.088 1.00 0.56 H new ATOM 263 N TYR A 53 -2.055 -12.071 -0.278 1.00 0.33 N ATOM 264 CA TYR A 53 -1.081 -11.121 0.232 1.00 0.37 C ATOM 265 C TYR A 53 -0.903 -11.304 1.728 1.00 0.32 C ATOM 266 O TYR A 53 0.095 -10.882 2.296 1.00 0.35 O ATOM 267 CB TYR A 53 -1.515 -9.695 -0.075 1.00 0.48 C ATOM 268 CG TYR A 53 -1.822 -9.468 -1.536 1.00 0.57 C ATOM 269 CD1 TYR A 53 -1.002 -9.991 -2.524 1.00 0.67 C ATOM 270 CD2 TYR A 53 -2.934 -8.729 -1.928 1.00 0.65 C ATOM 271 CE1 TYR A 53 -1.284 -9.787 -3.860 1.00 0.76 C ATOM 272 CE2 TYR A 53 -3.219 -8.521 -3.264 1.00 0.76 C ATOM 273 CZ TYR A 53 -2.382 -9.045 -4.226 1.00 0.81 C ATOM 274 OH TYR A 53 -2.657 -8.844 -5.561 1.00 0.92 O ATOM 0 H TYR A 53 -2.975 -11.674 -0.472 1.00 0.33 H new ATOM 0 HA TYR A 53 -0.127 -11.306 -0.261 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -2.399 -9.456 0.517 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -0.728 -9.008 0.235 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -0.131 -10.566 -2.245 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -3.586 -8.311 -1.175 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -0.642 -10.211 -4.618 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -4.091 -7.952 -3.552 1.00 0.76 H new ATOM 0 HH TYR A 53 -3.600 -8.599 -5.668 1.00 0.92 H new ATOM 284 N ASP A 54 -1.883 -11.938 2.351 1.00 0.32 N ATOM 285 CA ASP A 54 -1.803 -12.273 3.766 1.00 0.40 C ATOM 286 C ASP A 54 -0.711 -13.309 3.965 1.00 0.43 C ATOM 287 O ASP A 54 0.124 -13.190 4.862 1.00 0.49 O ATOM 288 CB ASP A 54 -3.146 -12.830 4.257 1.00 0.50 C ATOM 289 CG ASP A 54 -3.204 -12.995 5.764 1.00 1.22 C ATOM 290 OD1 ASP A 54 -2.797 -14.064 6.268 1.00 1.86 O ATOM 291 OD2 ASP A 54 -3.682 -12.063 6.451 1.00 1.46 O ATOM 0 H ASP A 54 -2.748 -12.233 1.898 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.571 -11.375 4.339 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.948 -12.163 3.939 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -3.327 -13.795 3.784 1.00 0.50 H new ATOM 296 N GLU A 55 -0.705 -14.307 3.086 1.00 0.43 N ATOM 297 CA GLU A 55 0.319 -15.338 3.101 1.00 0.52 C ATOM 298 C GLU A 55 1.697 -14.728 2.854 1.00 0.52 C ATOM 299 O GLU A 55 2.661 -15.034 3.561 1.00 0.70 O ATOM 300 CB GLU A 55 -0.002 -16.378 2.034 1.00 0.57 C ATOM 301 CG GLU A 55 -1.306 -17.114 2.284 1.00 1.01 C ATOM 302 CD GLU A 55 -1.563 -18.204 1.267 1.00 1.39 C ATOM 303 OE1 GLU A 55 -1.627 -17.888 0.059 1.00 2.00 O ATOM 304 OE2 GLU A 55 -1.702 -19.380 1.664 1.00 1.90 O ATOM 0 H GLU A 55 -1.404 -14.421 2.352 1.00 0.43 H new ATOM 0 HA GLU A 55 0.333 -15.817 4.080 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -0.051 -15.888 1.062 1.00 0.57 H new ATOM 0 HB3 GLU A 55 0.812 -17.102 1.986 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -1.287 -17.551 3.282 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -2.131 -16.402 2.264 1.00 1.01 H new ATOM 311 N ILE A 56 1.782 -13.845 1.860 1.00 0.40 N ATOM 312 CA ILE A 56 3.041 -13.164 1.548 1.00 0.42 C ATOM 313 C ILE A 56 3.488 -12.292 2.726 1.00 0.40 C ATOM 314 O ILE A 56 4.671 -12.240 3.068 1.00 0.52 O ATOM 315 CB ILE A 56 2.917 -12.293 0.280 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.427 -13.137 -0.899 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.253 -11.644 -0.052 1.00 0.53 C ATOM 318 CD1 ILE A 56 2.154 -12.331 -2.152 1.00 0.52 C ATOM 0 H ILE A 56 1.000 -13.584 1.259 1.00 0.40 H new ATOM 0 HA ILE A 56 3.789 -13.935 1.363 1.00 0.42 H new ATOM 0 HB ILE A 56 2.188 -11.505 0.471 1.00 0.44 H new ATOM 0 HG12 ILE A 56 3.173 -13.900 -1.123 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.515 -13.659 -0.607 1.00 0.47 H new ATOM 0 HG21 ILE A 56 4.148 -11.033 -0.949 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.569 -11.015 0.780 1.00 0.53 H new ATOM 0 HG23 ILE A 56 5.000 -12.418 -0.226 1.00 0.53 H new ATOM 0 HD11 ILE A 56 1.810 -12.996 -2.945 1.00 0.52 H new ATOM 0 HD12 ILE A 56 1.386 -11.586 -1.945 1.00 0.52 H new ATOM 0 HD13 ILE A 56 3.069 -11.831 -2.469 1.00 0.52 H new ATOM 330 N PHE A 57 2.524 -11.642 3.354 1.00 0.31 N ATOM 331 CA PHE A 57 2.767 -10.797 4.520 1.00 0.31 C ATOM 332 C PHE A 57 3.413 -11.605 5.645 1.00 0.35 C ATOM 333 O PHE A 57 4.292 -11.114 6.354 1.00 0.40 O ATOM 334 CB PHE A 57 1.432 -10.197 4.976 1.00 0.29 C ATOM 335 CG PHE A 57 1.495 -9.353 6.216 1.00 0.31 C ATOM 336 CD1 PHE A 57 2.039 -8.079 6.178 1.00 0.32 C ATOM 337 CD2 PHE A 57 0.994 -9.829 7.416 1.00 0.40 C ATOM 338 CE1 PHE A 57 2.084 -7.301 7.316 1.00 0.36 C ATOM 339 CE2 PHE A 57 1.033 -9.055 8.556 1.00 0.43 C ATOM 340 CZ PHE A 57 1.581 -7.788 8.506 1.00 0.40 C ATOM 0 H PHE A 57 1.545 -11.683 3.072 1.00 0.31 H new ATOM 0 HA PHE A 57 3.456 -9.994 4.256 1.00 0.31 H new ATOM 0 HB2 PHE A 57 1.030 -9.591 4.164 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.727 -11.010 5.146 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.431 -7.692 5.249 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.567 -10.820 7.459 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.513 -6.311 7.276 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.637 -9.438 9.485 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.616 -7.179 9.397 1.00 0.40 H new ATOM 350 N TYR A 58 2.990 -12.857 5.787 1.00 0.35 N ATOM 351 CA TYR A 58 3.535 -13.736 6.814 1.00 0.41 C ATOM 352 C TYR A 58 4.926 -14.254 6.449 1.00 0.43 C ATOM 353 O TYR A 58 5.719 -14.580 7.333 1.00 0.46 O ATOM 354 CB TYR A 58 2.602 -14.925 7.045 1.00 0.50 C ATOM 355 CG TYR A 58 1.459 -14.656 7.997 1.00 0.91 C ATOM 356 CD1 TYR A 58 0.563 -13.627 7.747 1.00 1.23 C ATOM 357 CD2 TYR A 58 1.283 -15.411 9.149 1.00 1.50 C ATOM 358 CE1 TYR A 58 -0.476 -13.358 8.613 1.00 1.92 C ATOM 359 CE2 TYR A 58 0.248 -15.146 10.024 1.00 2.18 C ATOM 360 CZ TYR A 58 -0.654 -14.204 9.742 1.00 2.35 C ATOM 361 OH TYR A 58 -1.655 -13.845 10.624 1.00 3.08 O ATOM 0 H TYR A 58 2.271 -13.285 5.203 1.00 0.35 H new ATOM 0 HA TYR A 58 3.620 -13.145 7.726 1.00 0.41 H new ATOM 0 HB2 TYR A 58 2.191 -15.239 6.085 1.00 0.50 H new ATOM 0 HB3 TYR A 58 3.188 -15.760 7.429 1.00 0.50 H new ATOM 0 HD1 TYR A 58 0.681 -13.025 6.858 1.00 1.23 H new ATOM 0 HD2 TYR A 58 1.967 -16.219 9.364 1.00 1.50 H new ATOM 0 HE1 TYR A 58 -1.139 -12.524 8.438 1.00 1.92 H new ATOM 0 HE2 TYR A 58 0.168 -15.706 10.944 1.00 2.18 H new ATOM 0 HH TYR A 58 -1.691 -14.492 11.359 1.00 3.08 H new ATOM 371 N THR A 59 5.246 -14.301 5.159 1.00 0.44 N ATOM 372 CA THR A 59 6.537 -14.828 4.734 1.00 0.48 C ATOM 373 C THR A 59 7.635 -13.778 4.860 1.00 0.42 C ATOM 374 O THR A 59 8.824 -14.103 4.834 1.00 0.45 O ATOM 375 CB THR A 59 6.506 -15.386 3.292 1.00 0.59 C ATOM 376 OG1 THR A 59 5.998 -14.410 2.373 1.00 0.63 O ATOM 377 CG2 THR A 59 5.653 -16.642 3.219 1.00 0.75 C ATOM 0 H THR A 59 4.640 -13.986 4.402 1.00 0.44 H new ATOM 0 HA THR A 59 6.760 -15.657 5.405 1.00 0.48 H new ATOM 0 HB THR A 59 7.531 -15.632 3.014 1.00 0.59 H new ATOM 0 HG1 THR A 59 5.774 -13.589 2.859 1.00 0.63 H new ATOM 0 HG21 THR A 59 5.645 -17.018 2.196 1.00 0.75 H new ATOM 0 HG22 THR A 59 6.067 -17.402 3.881 1.00 0.75 H new ATOM 0 HG23 THR A 59 4.634 -16.408 3.528 1.00 0.75 H new ATOM 385 N LEU A 60 7.236 -12.521 5.019 1.00 0.37 N ATOM 386 CA LEU A 60 8.191 -11.436 5.203 1.00 0.38 C ATOM 387 C LEU A 60 8.478 -11.214 6.685 1.00 0.41 C ATOM 388 O LEU A 60 9.215 -10.299 7.048 1.00 0.56 O ATOM 389 CB LEU A 60 7.671 -10.142 4.575 1.00 0.40 C ATOM 390 CG LEU A 60 7.630 -10.137 3.046 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.052 -8.830 2.533 1.00 1.26 C ATOM 392 CD2 LEU A 60 9.027 -10.353 2.477 1.00 1.25 C ATOM 0 H LEU A 60 6.259 -12.229 5.024 1.00 0.37 H new ATOM 0 HA LEU A 60 9.118 -11.719 4.704 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.666 -9.952 4.951 1.00 0.40 H new ATOM 0 HB3 LEU A 60 8.298 -9.316 4.909 1.00 0.40 H new ATOM 0 HG LEU A 60 6.988 -10.954 2.717 1.00 0.52 H new ATOM 0 HD11 LEU A 60 7.031 -8.844 1.443 1.00 1.26 H new ATOM 0 HD12 LEU A 60 6.038 -8.706 2.914 1.00 1.26 H new ATOM 0 HD13 LEU A 60 7.672 -8.000 2.873 1.00 1.26 H new ATOM 0 HD21 LEU A 60 8.981 -10.347 1.388 1.00 1.25 H new ATOM 0 HD22 LEU A 60 9.686 -9.554 2.817 1.00 1.25 H new ATOM 0 HD23 LEU A 60 9.415 -11.313 2.818 1.00 1.25 H new ATOM 404 N SER A 61 7.891 -12.076 7.521 1.00 0.36 N ATOM 405 CA SER A 61 8.041 -12.003 8.972 1.00 0.41 C ATOM 406 C SER A 61 7.339 -10.770 9.540 1.00 0.40 C ATOM 407 O SER A 61 7.953 -9.720 9.735 1.00 0.50 O ATOM 408 CB SER A 61 9.524 -12.030 9.374 1.00 0.55 C ATOM 409 OG SER A 61 9.681 -11.906 10.777 1.00 1.11 O ATOM 0 H SER A 61 7.298 -12.844 7.207 1.00 0.36 H new ATOM 0 HA SER A 61 7.561 -12.883 9.401 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.977 -12.962 9.036 1.00 0.55 H new ATOM 0 HB3 SER A 61 10.053 -11.219 8.874 1.00 0.55 H new ATOM 0 HG SER A 61 10.634 -11.928 11.003 1.00 1.11 H new ATOM 415 N PRO A 62 6.027 -10.886 9.802 1.00 0.37 N ATOM 416 CA PRO A 62 5.242 -9.790 10.362 1.00 0.42 C ATOM 417 C PRO A 62 5.507 -9.591 11.851 1.00 0.47 C ATOM 418 O PRO A 62 5.131 -10.420 12.682 1.00 0.69 O ATOM 419 CB PRO A 62 3.798 -10.226 10.123 1.00 0.50 C ATOM 420 CG PRO A 62 3.840 -11.715 10.058 1.00 0.51 C ATOM 421 CD PRO A 62 5.215 -12.097 9.573 1.00 0.38 C ATOM 0 HA PRO A 62 5.489 -8.833 9.902 1.00 0.42 H new ATOM 0 HB2 PRO A 62 3.147 -9.886 10.928 1.00 0.50 H new ATOM 0 HB3 PRO A 62 3.408 -9.803 9.197 1.00 0.50 H new ATOM 0 HG2 PRO A 62 3.642 -12.149 11.038 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.074 -12.093 9.381 1.00 0.51 H new ATOM 0 HD2 PRO A 62 5.609 -12.951 10.124 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.203 -12.375 8.519 1.00 0.38 H new ATOM 429 N VAL A 63 6.152 -8.486 12.192 1.00 0.39 N ATOM 430 CA VAL A 63 6.479 -8.206 13.573 1.00 0.48 C ATOM 431 C VAL A 63 5.333 -7.464 14.244 1.00 0.42 C ATOM 432 O VAL A 63 4.961 -6.364 13.839 1.00 0.41 O ATOM 433 CB VAL A 63 7.800 -7.412 13.713 1.00 0.60 C ATOM 434 CG1 VAL A 63 8.980 -8.296 13.343 1.00 1.43 C ATOM 435 CG2 VAL A 63 7.798 -6.152 12.855 1.00 1.14 C ATOM 0 H VAL A 63 6.457 -7.773 11.530 1.00 0.39 H new ATOM 0 HA VAL A 63 6.628 -9.162 14.074 1.00 0.48 H new ATOM 0 HB VAL A 63 7.891 -7.101 14.754 1.00 0.60 H new ATOM 0 HG11 VAL A 63 9.905 -7.729 13.444 1.00 1.43 H new ATOM 0 HG12 VAL A 63 9.009 -9.160 14.007 1.00 1.43 H new ATOM 0 HG13 VAL A 63 8.873 -8.634 12.312 1.00 1.43 H new ATOM 0 HG21 VAL A 63 8.743 -5.624 12.982 1.00 1.14 H new ATOM 0 HG22 VAL A 63 7.673 -6.425 11.807 1.00 1.14 H new ATOM 0 HG23 VAL A 63 6.976 -5.505 13.161 1.00 1.14 H new ATOM 445 N ASN A 64 4.736 -8.110 15.243 1.00 0.47 N ATOM 446 CA ASN A 64 3.575 -7.564 15.952 1.00 0.50 C ATOM 447 C ASN A 64 2.400 -7.338 15.000 1.00 0.52 C ATOM 448 O ASN A 64 1.500 -6.547 15.280 1.00 0.68 O ATOM 449 CB ASN A 64 3.935 -6.258 16.675 1.00 0.57 C ATOM 450 CG ASN A 64 4.875 -6.483 17.844 1.00 1.25 C ATOM 451 OD1 ASN A 64 4.867 -7.547 18.464 1.00 2.15 O ATOM 452 ND2 ASN A 64 5.687 -5.491 18.158 1.00 1.72 N ATOM 0 H ASN A 64 5.039 -9.022 15.584 1.00 0.47 H new ATOM 0 HA ASN A 64 3.272 -8.299 16.698 1.00 0.50 H new ATOM 0 HB2 ASN A 64 4.398 -5.570 15.967 1.00 0.57 H new ATOM 0 HB3 ASN A 64 3.023 -5.781 17.033 1.00 0.57 H new ATOM 0 HD21 ASN A 64 6.337 -5.591 18.938 1.00 1.72 H new ATOM 0 HD22 ASN A 64 5.665 -4.624 17.621 1.00 1.72 H new ATOM 459 N GLY A 65 2.405 -8.063 13.889 1.00 0.46 N ATOM 460 CA GLY A 65 1.304 -7.997 12.945 1.00 0.55 C ATOM 461 C GLY A 65 1.426 -6.861 11.946 1.00 0.45 C ATOM 462 O GLY A 65 0.439 -6.475 11.320 1.00 0.62 O ATOM 0 H GLY A 65 3.156 -8.700 13.623 1.00 0.46 H new ATOM 0 HA2 GLY A 65 1.244 -8.941 12.403 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.370 -7.886 13.496 1.00 0.55 H new ATOM 466 N LYS A 66 2.627 -6.320 11.783 1.00 0.32 N ATOM 467 CA LYS A 66 2.851 -5.263 10.805 1.00 0.35 C ATOM 468 C LYS A 66 4.307 -5.275 10.358 1.00 0.27 C ATOM 469 O LYS A 66 5.213 -5.214 11.185 1.00 0.42 O ATOM 470 CB LYS A 66 2.475 -3.904 11.417 1.00 0.58 C ATOM 471 CG LYS A 66 2.264 -2.796 10.399 1.00 0.74 C ATOM 472 CD LYS A 66 1.205 -1.804 10.870 1.00 0.90 C ATOM 473 CE LYS A 66 0.896 -0.774 9.800 1.00 1.52 C ATOM 474 NZ LYS A 66 -0.349 -0.008 10.089 1.00 2.24 N ATOM 0 H LYS A 66 3.456 -6.593 12.311 1.00 0.32 H new ATOM 0 HA LYS A 66 2.223 -5.433 9.931 1.00 0.35 H new ATOM 0 HB2 LYS A 66 1.563 -4.022 12.002 1.00 0.58 H new ATOM 0 HB3 LYS A 66 3.261 -3.601 12.109 1.00 0.58 H new ATOM 0 HG2 LYS A 66 3.205 -2.273 10.228 1.00 0.74 H new ATOM 0 HG3 LYS A 66 1.962 -3.228 9.445 1.00 0.74 H new ATOM 0 HD2 LYS A 66 0.294 -2.341 11.134 1.00 0.90 H new ATOM 0 HD3 LYS A 66 1.552 -1.301 11.772 1.00 0.90 H new ATOM 0 HE2 LYS A 66 1.733 -0.081 9.714 1.00 1.52 H new ATOM 0 HE3 LYS A 66 0.796 -1.274 8.837 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 -0.427 0.790 9.427 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 -1.174 -0.632 9.978 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 -0.316 0.353 11.064 1.00 2.24 H new ATOM 488 N ILE A 67 4.537 -5.365 9.054 1.00 0.24 N ATOM 489 CA ILE A 67 5.899 -5.432 8.544 1.00 0.24 C ATOM 490 C ILE A 67 6.483 -4.036 8.371 1.00 0.28 C ATOM 491 O ILE A 67 5.752 -3.053 8.203 1.00 0.31 O ATOM 492 CB ILE A 67 6.007 -6.207 7.207 1.00 0.24 C ATOM 493 CG1 ILE A 67 5.129 -5.561 6.133 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.637 -7.674 7.402 1.00 0.26 C ATOM 495 CD1 ILE A 67 5.272 -6.194 4.765 1.00 0.28 C ATOM 0 H ILE A 67 3.809 -5.393 8.340 1.00 0.24 H new ATOM 0 HA ILE A 67 6.473 -5.982 9.289 1.00 0.24 H new ATOM 0 HB ILE A 67 7.042 -6.161 6.869 1.00 0.24 H new ATOM 0 HG12 ILE A 67 4.086 -5.622 6.444 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.379 -4.502 6.061 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.720 -8.200 6.451 1.00 0.26 H new ATOM 0 HG22 ILE A 67 6.314 -8.127 8.127 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.613 -7.745 7.768 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.619 -5.683 4.057 1.00 0.28 H new ATOM 0 HD12 ILE A 67 6.306 -6.109 4.431 1.00 0.28 H new ATOM 0 HD13 ILE A 67 4.994 -7.246 4.820 1.00 0.28 H new ATOM 507 N THR A 68 7.801 -3.965 8.411 1.00 0.33 N ATOM 508 CA THR A 68 8.503 -2.699 8.337 1.00 0.38 C ATOM 509 C THR A 68 8.759 -2.301 6.890 1.00 0.39 C ATOM 510 O THR A 68 8.464 -3.062 5.966 1.00 0.46 O ATOM 511 CB THR A 68 9.845 -2.766 9.087 1.00 0.44 C ATOM 512 OG1 THR A 68 10.669 -3.798 8.527 1.00 0.52 O ATOM 513 CG2 THR A 68 9.627 -3.035 10.568 1.00 0.42 C ATOM 0 H THR A 68 8.411 -4.778 8.495 1.00 0.33 H new ATOM 0 HA THR A 68 7.867 -1.949 8.808 1.00 0.38 H new ATOM 0 HB THR A 68 10.343 -1.803 8.979 1.00 0.44 H new ATOM 0 HG1 THR A 68 11.522 -3.833 9.009 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.591 -3.078 11.076 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.025 -2.235 10.998 1.00 0.42 H new ATOM 0 HG23 THR A 68 9.109 -3.986 10.693 1.00 0.42 H new ATOM 521 N GLY A 69 9.329 -1.115 6.702 1.00 0.38 N ATOM 522 CA GLY A 69 9.637 -0.643 5.370 1.00 0.38 C ATOM 523 C GLY A 69 10.708 -1.475 4.694 1.00 0.36 C ATOM 524 O GLY A 69 10.738 -1.571 3.474 1.00 0.37 O ATOM 0 H GLY A 69 9.583 -0.473 7.453 1.00 0.38 H new ATOM 0 HA2 GLY A 69 8.731 -0.660 4.763 1.00 0.38 H new ATOM 0 HA3 GLY A 69 9.966 0.395 5.423 1.00 0.38 H new ATOM 528 N ALA A 70 11.574 -2.094 5.486 1.00 0.36 N ATOM 529 CA ALA A 70 12.668 -2.897 4.950 1.00 0.37 C ATOM 530 C ALA A 70 12.146 -4.179 4.306 1.00 0.34 C ATOM 531 O ALA A 70 12.572 -4.558 3.208 1.00 0.33 O ATOM 532 CB ALA A 70 13.668 -3.219 6.049 1.00 0.40 C ATOM 0 H ALA A 70 11.541 -2.056 6.505 1.00 0.36 H new ATOM 0 HA ALA A 70 13.170 -2.317 4.176 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.480 -3.819 5.638 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.072 -2.292 6.457 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.170 -3.777 6.842 1.00 0.40 H new ATOM 538 N ASN A 71 11.207 -4.821 4.988 1.00 0.40 N ATOM 539 CA ASN A 71 10.636 -6.088 4.536 1.00 0.47 C ATOM 540 C ASN A 71 9.961 -5.902 3.186 1.00 0.36 C ATOM 541 O ASN A 71 10.240 -6.616 2.216 1.00 0.33 O ATOM 542 CB ASN A 71 9.610 -6.590 5.563 1.00 0.64 C ATOM 543 CG ASN A 71 10.131 -6.546 6.992 1.00 0.80 C ATOM 544 OD1 ASN A 71 9.379 -6.278 7.931 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.418 -6.796 7.176 1.00 0.58 N ATOM 0 H ASN A 71 10.819 -4.481 5.868 1.00 0.40 H new ATOM 0 HA ASN A 71 11.435 -6.822 4.436 1.00 0.47 H new ATOM 0 HB2 ASN A 71 8.707 -5.984 5.492 1.00 0.64 H new ATOM 0 HB3 ASN A 71 9.327 -7.613 5.316 1.00 0.64 H new ATOM 0 HD21 ASN A 71 11.813 -6.770 8.116 1.00 0.58 H new ATOM 0 HD22 ASN A 71 12.014 -7.015 6.378 1.00 0.58 H new ATOM 552 N ALA A 72 9.090 -4.912 3.118 1.00 0.35 N ATOM 553 CA ALA A 72 8.356 -4.642 1.901 1.00 0.30 C ATOM 554 C ALA A 72 9.259 -4.003 0.848 1.00 0.29 C ATOM 555 O ALA A 72 8.998 -4.129 -0.339 1.00 0.30 O ATOM 556 CB ALA A 72 7.140 -3.774 2.191 1.00 0.36 C ATOM 0 H ALA A 72 8.875 -4.283 3.892 1.00 0.35 H new ATOM 0 HA ALA A 72 8.002 -5.590 1.496 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.601 -3.582 1.263 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.484 -4.290 2.892 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.463 -2.828 2.625 1.00 0.36 H new ATOM 562 N LYS A 73 10.339 -3.345 1.274 1.00 0.28 N ATOM 563 CA LYS A 73 11.272 -2.754 0.321 1.00 0.31 C ATOM 564 C LYS A 73 11.932 -3.841 -0.514 1.00 0.31 C ATOM 565 O LYS A 73 11.987 -3.739 -1.740 1.00 0.34 O ATOM 566 CB LYS A 73 12.335 -1.890 1.017 1.00 0.35 C ATOM 567 CG LYS A 73 13.341 -1.281 0.049 1.00 0.39 C ATOM 568 CD LYS A 73 14.030 -0.040 0.613 1.00 0.53 C ATOM 569 CE LYS A 73 14.863 -0.333 1.855 1.00 0.61 C ATOM 570 NZ LYS A 73 15.658 0.856 2.283 1.00 0.54 N ATOM 0 H LYS A 73 10.584 -3.211 2.255 1.00 0.28 H new ATOM 0 HA LYS A 73 10.700 -2.098 -0.335 1.00 0.31 H new ATOM 0 HB2 LYS A 73 11.840 -1.090 1.568 1.00 0.35 H new ATOM 0 HB3 LYS A 73 12.867 -2.499 1.748 1.00 0.35 H new ATOM 0 HG2 LYS A 73 14.095 -2.027 -0.201 1.00 0.39 H new ATOM 0 HG3 LYS A 73 12.832 -1.018 -0.879 1.00 0.39 H new ATOM 0 HD2 LYS A 73 14.672 0.393 -0.154 1.00 0.53 H new ATOM 0 HD3 LYS A 73 13.276 0.708 0.857 1.00 0.53 H new ATOM 0 HE2 LYS A 73 14.207 -0.643 2.668 1.00 0.61 H new ATOM 0 HE3 LYS A 73 15.536 -1.166 1.653 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 16.224 0.612 3.121 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 16.290 1.147 1.510 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 15.014 1.638 2.517 1.00 0.54 H new ATOM 584 N LYS A 74 12.409 -4.903 0.132 1.00 0.32 N ATOM 585 CA LYS A 74 13.028 -5.986 -0.603 1.00 0.36 C ATOM 586 C LYS A 74 11.981 -6.774 -1.389 1.00 0.34 C ATOM 587 O LYS A 74 12.287 -7.363 -2.422 1.00 0.37 O ATOM 588 CB LYS A 74 13.813 -6.896 0.334 1.00 0.43 C ATOM 589 CG LYS A 74 13.080 -7.230 1.615 1.00 0.90 C ATOM 590 CD LYS A 74 13.816 -8.277 2.417 1.00 1.04 C ATOM 591 CE LYS A 74 15.207 -7.820 2.825 1.00 1.26 C ATOM 592 NZ LYS A 74 15.168 -6.630 3.715 1.00 2.24 N ATOM 0 H LYS A 74 12.377 -5.030 1.144 1.00 0.32 H new ATOM 0 HA LYS A 74 13.730 -5.557 -1.318 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.052 -7.822 -0.189 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.760 -6.417 0.582 1.00 0.43 H new ATOM 0 HG2 LYS A 74 12.963 -6.327 2.214 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.078 -7.589 1.379 1.00 0.90 H new ATOM 0 HD2 LYS A 74 13.239 -8.519 3.310 1.00 1.04 H new ATOM 0 HD3 LYS A 74 13.894 -9.192 1.830 1.00 1.04 H new ATOM 0 HE2 LYS A 74 15.721 -8.636 3.334 1.00 1.26 H new ATOM 0 HE3 LYS A 74 15.787 -7.585 1.932 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 16.124 -6.435 4.076 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 14.826 -5.807 3.179 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 14.527 -6.814 4.513 1.00 2.24 H new ATOM 606 N GLU A 75 10.742 -6.781 -0.910 1.00 0.32 N ATOM 607 CA GLU A 75 9.657 -7.414 -1.656 1.00 0.33 C ATOM 608 C GLU A 75 9.383 -6.629 -2.942 1.00 0.31 C ATOM 609 O GLU A 75 9.236 -7.204 -4.023 1.00 0.37 O ATOM 610 CB GLU A 75 8.389 -7.486 -0.800 1.00 0.36 C ATOM 611 CG GLU A 75 7.288 -8.341 -1.406 1.00 0.40 C ATOM 612 CD GLU A 75 7.748 -9.763 -1.663 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.192 -10.437 -0.712 1.00 0.76 O ATOM 614 OE2 GLU A 75 7.637 -10.226 -2.816 1.00 0.82 O ATOM 0 H GLU A 75 10.465 -6.363 -0.022 1.00 0.32 H new ATOM 0 HA GLU A 75 9.955 -8.430 -1.916 1.00 0.33 H new ATOM 0 HB2 GLU A 75 8.647 -7.884 0.182 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.009 -6.476 -0.645 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.429 -8.354 -0.736 1.00 0.40 H new ATOM 0 HG3 GLU A 75 6.955 -7.893 -2.342 1.00 0.40 H new ATOM 621 N MET A 76 9.350 -5.311 -2.808 1.00 0.28 N ATOM 622 CA MET A 76 9.104 -4.418 -3.933 1.00 0.31 C ATOM 623 C MET A 76 10.181 -4.554 -5.007 1.00 0.33 C ATOM 624 O MET A 76 9.879 -4.525 -6.202 1.00 0.38 O ATOM 625 CB MET A 76 9.031 -2.969 -3.454 1.00 0.40 C ATOM 626 CG MET A 76 7.615 -2.420 -3.318 1.00 0.65 C ATOM 627 SD MET A 76 6.643 -3.264 -2.055 1.00 1.04 S ATOM 628 CE MET A 76 5.204 -2.202 -1.983 1.00 0.63 C ATOM 0 H MET A 76 9.492 -4.831 -1.919 1.00 0.28 H new ATOM 0 HA MET A 76 8.149 -4.703 -4.375 1.00 0.31 H new ATOM 0 HB2 MET A 76 9.531 -2.893 -2.489 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.586 -2.341 -4.151 1.00 0.40 H new ATOM 0 HG2 MET A 76 7.666 -1.358 -3.079 1.00 0.65 H new ATOM 0 HG3 MET A 76 7.105 -2.506 -4.278 1.00 0.65 H new ATOM 0 HE1 MET A 76 4.922 -2.041 -0.942 1.00 0.63 H new ATOM 0 HE2 MET A 76 5.435 -1.244 -2.448 1.00 0.63 H new ATOM 0 HE3 MET A 76 4.377 -2.673 -2.514 1.00 0.63 H new ATOM 638 N VAL A 77 11.436 -4.704 -4.594 1.00 0.35 N ATOM 639 CA VAL A 77 12.519 -4.861 -5.563 1.00 0.44 C ATOM 640 C VAL A 77 12.483 -6.253 -6.193 1.00 0.49 C ATOM 641 O VAL A 77 12.989 -6.452 -7.297 1.00 0.62 O ATOM 642 CB VAL A 77 13.917 -4.589 -4.958 1.00 0.52 C ATOM 643 CG1 VAL A 77 13.971 -3.204 -4.334 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.311 -5.653 -3.948 1.00 1.02 C ATOM 0 H VAL A 77 11.726 -4.720 -3.616 1.00 0.35 H new ATOM 0 HA VAL A 77 12.352 -4.108 -6.333 1.00 0.44 H new ATOM 0 HB VAL A 77 14.641 -4.631 -5.772 1.00 0.52 H new ATOM 0 HG11 VAL A 77 14.962 -3.032 -3.914 1.00 0.78 H new ATOM 0 HG12 VAL A 77 13.765 -2.453 -5.097 1.00 0.78 H new ATOM 0 HG13 VAL A 77 13.225 -3.132 -3.543 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.299 -5.426 -3.547 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.584 -5.671 -3.136 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.333 -6.627 -4.436 1.00 1.02 H new ATOM 654 N LYS A 78 11.869 -7.213 -5.497 1.00 0.46 N ATOM 655 CA LYS A 78 11.670 -8.540 -6.067 1.00 0.58 C ATOM 656 C LYS A 78 10.584 -8.496 -7.129 1.00 0.53 C ATOM 657 O LYS A 78 10.540 -9.337 -8.024 1.00 0.62 O ATOM 658 CB LYS A 78 11.296 -9.582 -5.007 1.00 0.76 C ATOM 659 CG LYS A 78 12.378 -9.843 -3.975 1.00 0.97 C ATOM 660 CD LYS A 78 12.139 -11.154 -3.242 1.00 1.17 C ATOM 661 CE LYS A 78 10.805 -11.199 -2.517 1.00 2.01 C ATOM 662 NZ LYS A 78 10.818 -10.406 -1.265 1.00 3.04 N ATOM 0 H LYS A 78 11.507 -7.096 -4.551 1.00 0.46 H new ATOM 0 HA LYS A 78 12.620 -8.840 -6.510 1.00 0.58 H new ATOM 0 HB2 LYS A 78 10.393 -9.252 -4.493 1.00 0.76 H new ATOM 0 HB3 LYS A 78 11.054 -10.520 -5.507 1.00 0.76 H new ATOM 0 HG2 LYS A 78 13.351 -9.870 -4.465 1.00 0.97 H new ATOM 0 HG3 LYS A 78 12.405 -9.023 -3.258 1.00 0.97 H new ATOM 0 HD2 LYS A 78 12.185 -11.976 -3.956 1.00 1.17 H new ATOM 0 HD3 LYS A 78 12.942 -11.312 -2.522 1.00 1.17 H new ATOM 0 HE2 LYS A 78 10.023 -10.821 -3.176 1.00 2.01 H new ATOM 0 HE3 LYS A 78 10.554 -12.234 -2.286 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 9.842 -10.254 -0.940 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 11.350 -10.920 -0.534 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 11.271 -9.487 -1.441 1.00 3.04 H new ATOM 676 N SER A 79 9.708 -7.507 -7.017 1.00 0.47 N ATOM 677 CA SER A 79 8.641 -7.318 -7.991 1.00 0.49 C ATOM 678 C SER A 79 9.204 -6.868 -9.347 1.00 0.48 C ATOM 679 O SER A 79 8.513 -6.948 -10.367 1.00 0.57 O ATOM 680 CB SER A 79 7.625 -6.301 -7.470 1.00 0.48 C ATOM 681 OG SER A 79 7.124 -6.685 -6.199 1.00 0.86 O ATOM 0 H SER A 79 9.715 -6.822 -6.261 1.00 0.47 H new ATOM 0 HA SER A 79 8.139 -8.275 -8.137 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.093 -5.319 -7.399 1.00 0.48 H new ATOM 0 HB3 SER A 79 6.801 -6.211 -8.177 1.00 0.48 H new ATOM 0 HG SER A 79 7.858 -6.703 -5.550 1.00 0.86 H new ATOM 687 N LYS A 80 10.463 -6.406 -9.347 1.00 0.44 N ATOM 688 CA LYS A 80 11.160 -5.997 -10.573 1.00 0.47 C ATOM 689 C LYS A 80 10.553 -4.740 -11.198 1.00 0.46 C ATOM 690 O LYS A 80 10.610 -4.545 -12.412 1.00 0.58 O ATOM 691 CB LYS A 80 11.175 -7.154 -11.581 1.00 0.60 C ATOM 692 CG LYS A 80 12.447 -7.991 -11.533 1.00 0.64 C ATOM 693 CD LYS A 80 12.924 -8.247 -10.111 1.00 1.15 C ATOM 694 CE LYS A 80 14.184 -9.100 -10.091 1.00 1.42 C ATOM 695 NZ LYS A 80 15.254 -8.543 -10.965 1.00 2.05 N ATOM 0 H LYS A 80 11.024 -6.306 -8.501 1.00 0.44 H new ATOM 0 HA LYS A 80 12.185 -5.747 -10.299 1.00 0.47 H new ATOM 0 HB2 LYS A 80 10.318 -7.800 -11.392 1.00 0.60 H new ATOM 0 HB3 LYS A 80 11.054 -6.750 -12.586 1.00 0.60 H new ATOM 0 HG2 LYS A 80 12.269 -8.945 -12.030 1.00 0.64 H new ATOM 0 HG3 LYS A 80 13.234 -7.483 -12.090 1.00 0.64 H new ATOM 0 HD2 LYS A 80 13.119 -7.296 -9.615 1.00 1.15 H new ATOM 0 HD3 LYS A 80 12.137 -8.746 -9.546 1.00 1.15 H new ATOM 0 HE2 LYS A 80 14.554 -9.174 -9.069 1.00 1.42 H new ATOM 0 HE3 LYS A 80 13.941 -10.112 -10.416 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 16.151 -9.031 -10.769 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 14.995 -8.682 -11.963 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 15.364 -7.527 -10.774 1.00 2.05 H new ATOM 709 N LEU A 81 10.011 -3.870 -10.364 1.00 0.42 N ATOM 710 CA LEU A 81 9.475 -2.599 -10.844 1.00 0.43 C ATOM 711 C LEU A 81 10.503 -1.486 -10.647 1.00 0.43 C ATOM 712 O LEU A 81 11.361 -1.580 -9.766 1.00 0.44 O ATOM 713 CB LEU A 81 8.163 -2.232 -10.126 1.00 0.46 C ATOM 714 CG LEU A 81 6.876 -2.861 -10.681 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.765 -2.619 -12.177 1.00 1.34 C ATOM 716 CD2 LEU A 81 6.802 -4.344 -10.363 1.00 1.22 C ATOM 0 H LEU A 81 9.928 -4.014 -9.358 1.00 0.42 H new ATOM 0 HA LEU A 81 9.259 -2.710 -11.907 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.257 -2.517 -9.078 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.052 -1.148 -10.153 1.00 0.46 H new ATOM 0 HG LEU A 81 6.030 -2.379 -10.192 1.00 0.63 H new ATOM 0 HD11 LEU A 81 5.847 -3.072 -12.552 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.746 -1.547 -12.372 1.00 1.34 H new ATOM 0 HD13 LEU A 81 7.622 -3.065 -12.682 1.00 1.34 H new ATOM 0 HD21 LEU A 81 5.879 -4.758 -10.770 1.00 1.22 H new ATOM 0 HD22 LEU A 81 7.656 -4.855 -10.808 1.00 1.22 H new ATOM 0 HD23 LEU A 81 6.818 -4.486 -9.282 1.00 1.22 H new ATOM 728 N PRO A 82 10.448 -0.431 -11.483 1.00 0.45 N ATOM 729 CA PRO A 82 11.307 0.748 -11.324 1.00 0.49 C ATOM 730 C PRO A 82 11.127 1.394 -9.953 1.00 0.44 C ATOM 731 O PRO A 82 10.010 1.462 -9.445 1.00 0.39 O ATOM 732 CB PRO A 82 10.824 1.702 -12.419 1.00 0.54 C ATOM 733 CG PRO A 82 10.145 0.835 -13.421 1.00 0.62 C ATOM 734 CD PRO A 82 9.567 -0.318 -12.657 1.00 0.48 C ATOM 0 HA PRO A 82 12.365 0.496 -11.401 1.00 0.49 H new ATOM 0 HB2 PRO A 82 10.140 2.449 -12.017 1.00 0.54 H new ATOM 0 HB3 PRO A 82 11.658 2.242 -12.867 1.00 0.54 H new ATOM 0 HG2 PRO A 82 9.363 1.385 -13.945 1.00 0.62 H new ATOM 0 HG3 PRO A 82 10.850 0.487 -14.176 1.00 0.62 H new ATOM 0 HD2 PRO A 82 8.534 -0.129 -12.366 1.00 0.48 H new ATOM 0 HD3 PRO A 82 9.569 -1.233 -13.249 1.00 0.48 H new ATOM 742 N ASN A 83 12.219 1.895 -9.383 1.00 0.49 N ATOM 743 CA ASN A 83 12.219 2.421 -8.013 1.00 0.48 C ATOM 744 C ASN A 83 11.195 3.538 -7.845 1.00 0.41 C ATOM 745 O ASN A 83 10.574 3.672 -6.790 1.00 0.37 O ATOM 746 CB ASN A 83 13.613 2.937 -7.644 1.00 0.57 C ATOM 747 CG ASN A 83 14.652 1.832 -7.628 1.00 0.71 C ATOM 748 OD1 ASN A 83 15.241 1.500 -8.658 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.896 1.270 -6.456 1.00 0.89 N ATOM 0 H ASN A 83 13.124 1.950 -9.850 1.00 0.49 H new ATOM 0 HA ASN A 83 11.945 1.605 -7.344 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.914 3.705 -8.357 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.575 3.410 -6.663 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.595 0.531 -6.380 1.00 0.89 H new ATOM 0 HD22 ASN A 83 14.385 1.575 -5.628 1.00 0.89 H new ATOM 756 N THR A 84 11.019 4.325 -8.898 1.00 0.44 N ATOM 757 CA THR A 84 10.039 5.403 -8.909 1.00 0.42 C ATOM 758 C THR A 84 8.627 4.863 -8.651 1.00 0.35 C ATOM 759 O THR A 84 7.836 5.463 -7.916 1.00 0.35 O ATOM 760 CB THR A 84 10.064 6.131 -10.268 1.00 0.48 C ATOM 761 OG1 THR A 84 11.421 6.389 -10.649 1.00 0.59 O ATOM 762 CG2 THR A 84 9.290 7.442 -10.208 1.00 0.46 C ATOM 0 H THR A 84 11.549 4.235 -9.765 1.00 0.44 H new ATOM 0 HA THR A 84 10.300 6.101 -8.114 1.00 0.42 H new ATOM 0 HB THR A 84 9.586 5.489 -11.008 1.00 0.48 H new ATOM 0 HG1 THR A 84 11.436 6.850 -11.514 1.00 0.59 H new ATOM 0 HG21 THR A 84 9.327 7.931 -11.181 1.00 0.46 H new ATOM 0 HG22 THR A 84 8.252 7.240 -9.942 1.00 0.46 H new ATOM 0 HG23 THR A 84 9.737 8.094 -9.457 1.00 0.46 H new ATOM 770 N VAL A 85 8.339 3.699 -9.224 1.00 0.34 N ATOM 771 CA VAL A 85 7.022 3.105 -9.119 1.00 0.31 C ATOM 772 C VAL A 85 6.795 2.629 -7.696 1.00 0.27 C ATOM 773 O VAL A 85 5.715 2.793 -7.145 1.00 0.29 O ATOM 774 CB VAL A 85 6.854 1.922 -10.102 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.486 1.280 -9.964 1.00 0.36 C ATOM 776 CG2 VAL A 85 7.080 2.379 -11.536 1.00 0.40 C ATOM 0 H VAL A 85 9.006 3.151 -9.767 1.00 0.34 H new ATOM 0 HA VAL A 85 6.283 3.863 -9.380 1.00 0.31 H new ATOM 0 HB VAL A 85 7.605 1.174 -9.850 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.400 0.452 -10.668 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.360 0.906 -8.948 1.00 0.36 H new ATOM 0 HG13 VAL A 85 4.714 2.019 -10.177 1.00 0.36 H new ATOM 0 HG21 VAL A 85 6.957 1.532 -12.211 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.356 3.153 -11.790 1.00 0.40 H new ATOM 0 HG23 VAL A 85 8.089 2.779 -11.636 1.00 0.40 H new ATOM 786 N LEU A 86 7.845 2.075 -7.106 1.00 0.25 N ATOM 787 CA LEU A 86 7.803 1.606 -5.727 1.00 0.24 C ATOM 788 C LEU A 86 7.419 2.742 -4.788 1.00 0.25 C ATOM 789 O LEU A 86 6.553 2.581 -3.926 1.00 0.27 O ATOM 790 CB LEU A 86 9.164 1.034 -5.311 1.00 0.26 C ATOM 791 CG LEU A 86 9.505 -0.377 -5.831 1.00 0.41 C ATOM 792 CD1 LEU A 86 9.293 -0.508 -7.325 1.00 1.25 C ATOM 793 CD2 LEU A 86 10.942 -0.734 -5.485 1.00 1.23 C ATOM 0 H LEU A 86 8.745 1.938 -7.566 1.00 0.25 H new ATOM 0 HA LEU A 86 7.051 0.819 -5.661 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.940 1.720 -5.650 1.00 0.26 H new ATOM 0 HB3 LEU A 86 9.208 1.016 -4.222 1.00 0.26 H new ATOM 0 HG LEU A 86 8.823 -1.070 -5.339 1.00 0.41 H new ATOM 0 HD11 LEU A 86 9.547 -1.520 -7.641 1.00 1.25 H new ATOM 0 HD12 LEU A 86 8.249 -0.305 -7.564 1.00 1.25 H new ATOM 0 HD13 LEU A 86 9.930 0.206 -7.847 1.00 1.25 H new ATOM 0 HD21 LEU A 86 11.169 -1.733 -5.858 1.00 1.23 H new ATOM 0 HD22 LEU A 86 11.617 -0.013 -5.945 1.00 1.23 H new ATOM 0 HD23 LEU A 86 11.072 -0.713 -4.403 1.00 1.23 H new ATOM 805 N GLY A 87 8.065 3.892 -4.968 1.00 0.28 N ATOM 806 CA GLY A 87 7.767 5.052 -4.152 1.00 0.32 C ATOM 807 C GLY A 87 6.326 5.503 -4.293 1.00 0.31 C ATOM 808 O GLY A 87 5.685 5.864 -3.309 1.00 0.34 O ATOM 0 H GLY A 87 8.792 4.039 -5.668 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.972 4.820 -3.107 1.00 0.32 H new ATOM 0 HA3 GLY A 87 8.430 5.870 -4.433 1.00 0.32 H new ATOM 812 N LYS A 88 5.807 5.460 -5.512 1.00 0.29 N ATOM 813 CA LYS A 88 4.432 5.879 -5.766 1.00 0.32 C ATOM 814 C LYS A 88 3.445 4.882 -5.159 1.00 0.31 C ATOM 815 O LYS A 88 2.483 5.274 -4.498 1.00 0.33 O ATOM 816 CB LYS A 88 4.194 6.031 -7.273 1.00 0.37 C ATOM 817 CG LYS A 88 5.096 7.075 -7.921 1.00 1.10 C ATOM 818 CD LYS A 88 5.007 7.037 -9.441 1.00 1.05 C ATOM 819 CE LYS A 88 3.697 7.618 -9.959 1.00 0.68 C ATOM 820 NZ LYS A 88 3.643 9.100 -9.823 1.00 1.16 N ATOM 0 H LYS A 88 6.313 5.141 -6.338 1.00 0.29 H new ATOM 0 HA LYS A 88 4.269 6.847 -5.292 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.356 5.069 -7.759 1.00 0.37 H new ATOM 0 HB3 LYS A 88 3.153 6.303 -7.444 1.00 0.37 H new ATOM 0 HG2 LYS A 88 4.817 8.067 -7.566 1.00 1.10 H new ATOM 0 HG3 LYS A 88 6.128 6.905 -7.613 1.00 1.10 H new ATOM 0 HD2 LYS A 88 5.842 7.594 -9.866 1.00 1.05 H new ATOM 0 HD3 LYS A 88 5.105 6.007 -9.783 1.00 1.05 H new ATOM 0 HE2 LYS A 88 3.571 7.347 -11.007 1.00 0.68 H new ATOM 0 HE3 LYS A 88 2.864 7.175 -9.413 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 2.789 9.461 -10.294 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 3.617 9.355 -8.815 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 4.486 9.520 -10.265 1.00 1.16 H new ATOM 834 N ILE A 89 3.706 3.596 -5.370 1.00 0.28 N ATOM 835 CA ILE A 89 2.872 2.536 -4.820 1.00 0.30 C ATOM 836 C ILE A 89 2.783 2.667 -3.307 1.00 0.28 C ATOM 837 O ILE A 89 1.701 2.616 -2.734 1.00 0.30 O ATOM 838 CB ILE A 89 3.432 1.134 -5.161 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.460 0.907 -6.674 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.618 0.048 -4.475 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.108 1.024 -7.337 1.00 0.89 C ATOM 0 H ILE A 89 4.496 3.262 -5.923 1.00 0.28 H new ATOM 0 HA ILE A 89 1.884 2.640 -5.268 1.00 0.30 H new ATOM 0 HB ILE A 89 4.456 1.083 -4.791 1.00 0.31 H new ATOM 0 HG12 ILE A 89 4.139 1.629 -7.127 1.00 0.37 H new ATOM 0 HG13 ILE A 89 3.868 -0.084 -6.875 1.00 0.37 H new ATOM 0 HG21 ILE A 89 3.029 -0.929 -4.728 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.659 0.190 -3.395 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.582 0.104 -4.809 1.00 0.34 H new ATOM 0 HD11 ILE A 89 2.212 0.850 -8.408 1.00 0.89 H new ATOM 0 HD12 ILE A 89 1.430 0.284 -6.913 1.00 0.89 H new ATOM 0 HD13 ILE A 89 1.706 2.023 -7.169 1.00 0.89 H new ATOM 853 N TRP A 90 3.932 2.863 -2.675 1.00 0.25 N ATOM 854 CA TRP A 90 3.999 2.955 -1.225 1.00 0.25 C ATOM 855 C TRP A 90 3.240 4.177 -0.722 1.00 0.28 C ATOM 856 O TRP A 90 2.444 4.086 0.210 1.00 0.33 O ATOM 857 CB TRP A 90 5.458 3.026 -0.766 1.00 0.22 C ATOM 858 CG TRP A 90 5.618 2.986 0.729 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.418 4.012 1.605 1.00 0.25 C ATOM 860 CD2 TRP A 90 6.030 1.862 1.513 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.668 3.590 2.887 1.00 0.27 N ATOM 862 CE2 TRP A 90 6.046 2.275 2.858 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.382 0.547 1.210 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.400 1.421 3.895 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.736 -0.300 2.240 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.742 0.139 3.570 1.00 0.35 C ATOM 0 H TRP A 90 4.832 2.961 -3.146 1.00 0.25 H new ATOM 0 HA TRP A 90 3.534 2.062 -0.807 1.00 0.25 H new ATOM 0 HB2 TRP A 90 6.010 2.195 -1.205 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.907 3.943 -1.147 1.00 0.22 H new ATOM 0 HD1 TRP A 90 5.108 5.010 1.330 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.585 4.164 3.726 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.378 0.198 0.188 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.405 1.758 4.921 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 7.013 -1.320 2.017 1.00 0.35 H new ATOM 0 HH2 TRP A 90 7.022 -0.549 4.354 1.00 0.35 H new ATOM 877 N LYS A 91 3.477 5.314 -1.365 1.00 0.30 N ATOM 878 CA LYS A 91 2.927 6.581 -0.909 1.00 0.37 C ATOM 879 C LYS A 91 1.399 6.604 -1.033 1.00 0.37 C ATOM 880 O LYS A 91 0.721 7.350 -0.326 1.00 0.43 O ATOM 881 CB LYS A 91 3.569 7.728 -1.693 1.00 0.45 C ATOM 882 CG LYS A 91 3.343 9.096 -1.072 1.00 0.62 C ATOM 883 CD LYS A 91 4.586 9.970 -1.166 1.00 1.19 C ATOM 884 CE LYS A 91 5.008 10.216 -2.606 1.00 1.38 C ATOM 885 NZ LYS A 91 6.240 11.050 -2.689 1.00 1.16 N ATOM 0 H LYS A 91 4.049 5.383 -2.207 1.00 0.30 H new ATOM 0 HA LYS A 91 3.159 6.705 0.149 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.641 7.547 -1.771 1.00 0.45 H new ATOM 0 HB3 LYS A 91 3.171 7.730 -2.708 1.00 0.45 H new ATOM 0 HG2 LYS A 91 2.512 9.591 -1.574 1.00 0.62 H new ATOM 0 HG3 LYS A 91 3.059 8.978 -0.026 1.00 0.62 H new ATOM 0 HD2 LYS A 91 4.394 10.925 -0.677 1.00 1.19 H new ATOM 0 HD3 LYS A 91 5.404 9.494 -0.626 1.00 1.19 H new ATOM 0 HE2 LYS A 91 5.182 9.261 -3.102 1.00 1.38 H new ATOM 0 HE3 LYS A 91 4.198 10.710 -3.142 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 6.208 11.632 -3.550 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 6.297 11.669 -1.855 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 7.076 10.432 -2.720 1.00 1.16 H new ATOM 899 N LEU A 92 0.868 5.782 -1.931 1.00 0.34 N ATOM 900 CA LEU A 92 -0.579 5.604 -2.058 1.00 0.37 C ATOM 901 C LEU A 92 -1.082 4.523 -1.095 1.00 0.35 C ATOM 902 O LEU A 92 -2.056 4.733 -0.375 1.00 0.37 O ATOM 903 CB LEU A 92 -0.957 5.240 -3.501 1.00 0.43 C ATOM 904 CG LEU A 92 -1.205 6.426 -4.449 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.337 7.306 -3.934 1.00 1.53 C ATOM 906 CD2 LEU A 92 0.060 7.249 -4.646 1.00 1.21 C ATOM 0 H LEU A 92 1.418 5.225 -2.585 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.056 6.549 -1.799 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.161 4.625 -3.921 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -1.857 4.625 -3.477 1.00 0.43 H new ATOM 0 HG LEU A 92 -1.498 6.018 -5.417 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -2.493 8.137 -4.621 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -3.252 6.718 -3.863 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -2.077 7.694 -2.949 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -0.148 8.079 -5.321 1.00 1.21 H new ATOM 0 HD22 LEU A 92 0.395 7.638 -3.684 1.00 1.21 H new ATOM 0 HD23 LEU A 92 0.840 6.620 -5.074 1.00 1.21 H new ATOM 918 N ALA A 93 -0.395 3.382 -1.072 1.00 0.35 N ATOM 919 CA ALA A 93 -0.835 2.219 -0.303 1.00 0.39 C ATOM 920 C ALA A 93 -0.774 2.445 1.205 1.00 0.35 C ATOM 921 O ALA A 93 -1.645 1.977 1.940 1.00 0.40 O ATOM 922 CB ALA A 93 -0.010 1.000 -0.677 1.00 0.43 C ATOM 0 H ALA A 93 0.476 3.238 -1.582 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.881 2.052 -0.559 1.00 0.39 H new ATOM 0 HB1 ALA A 93 -0.347 0.141 -0.098 1.00 0.43 H new ATOM 0 HB2 ALA A 93 -0.131 0.791 -1.740 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.041 1.192 -0.462 1.00 0.43 H new ATOM 928 N ASP A 94 0.251 3.141 1.673 1.00 0.30 N ATOM 929 CA ASP A 94 0.381 3.399 3.100 1.00 0.32 C ATOM 930 C ASP A 94 -0.586 4.498 3.513 1.00 0.35 C ATOM 931 O ASP A 94 -0.242 5.681 3.526 1.00 0.46 O ATOM 932 CB ASP A 94 1.817 3.779 3.483 1.00 0.35 C ATOM 933 CG ASP A 94 2.018 3.821 4.988 1.00 0.42 C ATOM 934 OD1 ASP A 94 1.734 2.805 5.657 1.00 0.59 O ATOM 935 OD2 ASP A 94 2.458 4.857 5.511 1.00 0.56 O ATOM 0 H ASP A 94 0.995 3.533 1.096 1.00 0.30 H new ATOM 0 HA ASP A 94 0.136 2.480 3.632 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.510 3.060 3.046 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.059 4.754 3.059 1.00 0.35 H new ATOM 940 N VAL A 95 -1.812 4.098 3.820 1.00 0.42 N ATOM 941 CA VAL A 95 -2.860 5.045 4.149 1.00 0.51 C ATOM 942 C VAL A 95 -2.682 5.578 5.565 1.00 0.59 C ATOM 943 O VAL A 95 -3.116 6.684 5.875 1.00 0.74 O ATOM 944 CB VAL A 95 -4.267 4.419 3.993 1.00 0.60 C ATOM 945 CG1 VAL A 95 -5.341 5.491 4.089 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.383 3.677 2.669 1.00 1.49 C ATOM 0 H VAL A 95 -2.103 3.121 3.847 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.779 5.873 3.445 1.00 0.51 H new ATOM 0 HB VAL A 95 -4.412 3.705 4.804 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -6.324 5.033 3.977 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -5.278 5.983 5.060 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -5.192 6.227 3.299 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.380 3.245 2.580 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -4.214 4.372 1.846 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -3.638 2.882 2.631 1.00 1.49 H new ATOM 956 N ASP A 96 -2.017 4.808 6.420 1.00 0.59 N ATOM 957 CA ASP A 96 -1.779 5.253 7.794 1.00 0.69 C ATOM 958 C ASP A 96 -0.771 6.390 7.828 1.00 0.53 C ATOM 959 O ASP A 96 -0.772 7.196 8.758 1.00 0.57 O ATOM 960 CB ASP A 96 -1.226 4.126 8.668 1.00 0.88 C ATOM 961 CG ASP A 96 -2.201 3.011 8.950 1.00 0.93 C ATOM 962 OD1 ASP A 96 -3.341 3.298 9.353 1.00 1.45 O ATOM 963 OD2 ASP A 96 -1.811 1.835 8.781 1.00 1.02 O ATOM 0 H ASP A 96 -1.638 3.888 6.195 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.744 5.581 8.180 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -0.346 3.706 8.182 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -0.895 4.549 9.616 1.00 0.88 H new ATOM 968 N LYS A 97 0.082 6.453 6.797 1.00 0.43 N ATOM 969 CA LYS A 97 1.234 7.356 6.800 1.00 0.47 C ATOM 970 C LYS A 97 2.087 7.068 8.030 1.00 0.49 C ATOM 971 O LYS A 97 2.688 7.964 8.628 1.00 0.66 O ATOM 972 CB LYS A 97 0.785 8.823 6.759 1.00 0.63 C ATOM 973 CG LYS A 97 0.140 9.210 5.437 1.00 0.67 C ATOM 974 CD LYS A 97 1.086 8.962 4.270 1.00 1.18 C ATOM 975 CE LYS A 97 0.395 9.154 2.929 1.00 1.77 C ATOM 976 NZ LYS A 97 -0.769 8.245 2.768 1.00 2.67 N ATOM 0 H LYS A 97 -0.006 5.889 5.952 1.00 0.43 H new ATOM 0 HA LYS A 97 1.832 7.183 5.905 1.00 0.47 H new ATOM 0 HB2 LYS A 97 0.078 9.004 7.569 1.00 0.63 H new ATOM 0 HB3 LYS A 97 1.646 9.466 6.939 1.00 0.63 H new ATOM 0 HG2 LYS A 97 -0.776 8.636 5.294 1.00 0.67 H new ATOM 0 HG3 LYS A 97 -0.143 10.262 5.462 1.00 0.67 H new ATOM 0 HD2 LYS A 97 1.936 9.641 4.341 1.00 1.18 H new ATOM 0 HD3 LYS A 97 1.482 7.948 4.333 1.00 1.18 H new ATOM 0 HE2 LYS A 97 0.063 10.188 2.837 1.00 1.77 H new ATOM 0 HE3 LYS A 97 1.109 8.975 2.125 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 -0.835 7.938 1.777 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 -0.648 7.414 3.381 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 -1.640 8.747 3.034 1.00 2.67 H new ATOM 990 N ASP A 98 2.140 5.788 8.375 1.00 0.46 N ATOM 991 CA ASP A 98 2.787 5.336 9.593 1.00 0.51 C ATOM 992 C ASP A 98 4.183 4.807 9.296 1.00 0.43 C ATOM 993 O ASP A 98 5.018 4.702 10.192 1.00 0.49 O ATOM 994 CB ASP A 98 1.935 4.254 10.276 1.00 0.65 C ATOM 995 CG ASP A 98 1.905 2.930 9.520 1.00 0.56 C ATOM 996 OD1 ASP A 98 1.479 2.898 8.335 1.00 0.70 O ATOM 997 OD2 ASP A 98 2.282 1.905 10.106 1.00 1.13 O ATOM 0 H ASP A 98 1.735 5.037 7.817 1.00 0.46 H new ATOM 0 HA ASP A 98 2.882 6.185 10.270 1.00 0.51 H new ATOM 0 HB2 ASP A 98 2.321 4.080 11.280 1.00 0.65 H new ATOM 0 HB3 ASP A 98 0.915 4.623 10.386 1.00 0.65 H new ATOM 1002 N GLY A 99 4.435 4.479 8.034 1.00 0.40 N ATOM 1003 CA GLY A 99 5.746 3.985 7.645 1.00 0.43 C ATOM 1004 C GLY A 99 5.838 2.470 7.682 1.00 0.35 C ATOM 1005 O GLY A 99 6.846 1.891 7.275 1.00 0.40 O ATOM 0 H GLY A 99 3.758 4.545 7.274 1.00 0.40 H new ATOM 0 HA2 GLY A 99 5.977 4.334 6.639 1.00 0.43 H new ATOM 0 HA3 GLY A 99 6.500 4.407 8.310 1.00 0.43 H new ATOM 1009 N LEU A 100 4.789 1.834 8.187 1.00 0.33 N ATOM 1010 CA LEU A 100 4.711 0.382 8.228 1.00 0.30 C ATOM 1011 C LEU A 100 3.538 -0.085 7.387 1.00 0.31 C ATOM 1012 O LEU A 100 2.618 0.696 7.113 1.00 0.40 O ATOM 1013 CB LEU A 100 4.524 -0.122 9.659 1.00 0.30 C ATOM 1014 CG LEU A 100 5.561 0.344 10.678 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.187 -0.165 12.061 1.00 0.45 C ATOM 1016 CD2 LEU A 100 6.956 -0.132 10.291 1.00 0.39 C ATOM 0 H LEU A 100 3.974 2.307 8.577 1.00 0.33 H new ATOM 0 HA LEU A 100 5.646 -0.018 7.835 1.00 0.30 H new ATOM 0 HB2 LEU A 100 3.539 0.189 10.006 1.00 0.30 H new ATOM 0 HB3 LEU A 100 4.526 -1.212 9.642 1.00 0.30 H new ATOM 0 HG LEU A 100 5.572 1.434 10.691 1.00 0.33 H new ATOM 0 HD11 LEU A 100 5.930 0.170 12.785 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.208 0.224 12.339 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.155 -1.254 12.051 1.00 0.45 H new ATOM 0 HD21 LEU A 100 7.677 0.213 11.032 1.00 0.39 H new ATOM 0 HD22 LEU A 100 6.970 -1.221 10.250 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.220 0.271 9.313 1.00 0.39 H new ATOM 1028 N LEU A 101 3.559 -1.347 6.987 1.00 0.30 N ATOM 1029 CA LEU A 101 2.462 -1.921 6.224 1.00 0.33 C ATOM 1030 C LEU A 101 1.880 -3.119 6.956 1.00 0.29 C ATOM 1031 O LEU A 101 2.555 -4.127 7.157 1.00 0.27 O ATOM 1032 CB LEU A 101 2.916 -2.346 4.821 1.00 0.43 C ATOM 1033 CG LEU A 101 3.391 -1.218 3.896 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.705 -1.770 2.512 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.341 -0.121 3.804 1.00 0.43 C ATOM 0 H LEU A 101 4.324 -1.994 7.178 1.00 0.30 H new ATOM 0 HA LEU A 101 1.697 -1.152 6.118 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.726 -3.068 4.926 1.00 0.43 H new ATOM 0 HB3 LEU A 101 2.089 -2.864 4.335 1.00 0.43 H new ATOM 0 HG LEU A 101 4.300 -0.787 4.316 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.041 -0.960 1.865 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.490 -2.522 2.590 1.00 0.71 H new ATOM 0 HD13 LEU A 101 2.809 -2.224 2.089 1.00 0.71 H new ATOM 0 HD21 LEU A 101 2.697 0.669 3.143 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.415 -0.536 3.406 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.157 0.291 4.796 1.00 0.43 H new ATOM 1047 N ASP A 102 0.640 -2.989 7.394 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.084 -4.122 7.953 1.00 0.35 C ATOM 1049 C ASP A 102 -0.706 -4.910 6.811 1.00 0.31 C ATOM 1050 O ASP A 102 -0.492 -4.576 5.650 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.148 -3.679 8.963 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.211 -2.804 8.350 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -3.120 -3.348 7.686 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -2.142 -1.578 8.538 1.00 1.42 O ATOM 0 H ASP A 102 0.114 -2.116 7.375 1.00 0.33 H new ATOM 0 HA ASP A 102 0.614 -4.754 8.501 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -1.617 -4.561 9.399 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -0.666 -3.139 9.778 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.472 -5.941 7.123 1.00 0.36 N ATOM 1060 CA ASP A 103 -1.932 -6.867 6.096 1.00 0.37 C ATOM 1061 C ASP A 103 -2.846 -6.197 5.065 1.00 0.34 C ATOM 1062 O ASP A 103 -2.872 -6.621 3.908 1.00 0.36 O ATOM 1063 CB ASP A 103 -2.618 -8.090 6.716 1.00 0.49 C ATOM 1064 CG ASP A 103 -3.854 -7.745 7.518 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -3.715 -7.141 8.601 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -4.966 -8.102 7.076 1.00 0.92 O ATOM 0 H ASP A 103 -1.787 -6.159 8.068 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.042 -7.203 5.563 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -2.892 -8.785 5.922 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -1.908 -8.607 7.361 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.571 -5.142 5.447 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.462 -4.485 4.489 1.00 0.37 C ATOM 1073 C GLU A 104 -3.699 -3.447 3.665 1.00 0.29 C ATOM 1074 O GLU A 104 -3.916 -3.332 2.458 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.703 -3.864 5.163 1.00 0.50 C ATOM 1076 CG GLU A 104 -5.419 -2.709 6.106 1.00 0.89 C ATOM 1077 CD GLU A 104 -6.670 -2.180 6.780 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -7.418 -2.992 7.366 1.00 1.53 O ATOM 1079 OE2 GLU A 104 -6.908 -0.956 6.733 1.00 1.50 O ATOM 0 H GLU A 104 -3.561 -4.735 6.382 1.00 0.33 H new ATOM 0 HA GLU A 104 -4.832 -5.257 3.815 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -6.383 -3.518 4.385 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -6.224 -4.645 5.717 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -4.711 -3.034 6.868 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -4.942 -1.901 5.551 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.784 -2.718 4.309 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.930 -1.770 3.597 1.00 0.26 C ATOM 1088 C GLU A 105 -1.037 -2.506 2.604 1.00 0.22 C ATOM 1089 O GLU A 105 -0.896 -2.104 1.449 1.00 0.22 O ATOM 1090 CB GLU A 105 -1.035 -0.989 4.559 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.758 -0.031 5.484 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.780 0.875 6.206 1.00 0.69 C ATOM 1093 OE1 GLU A 105 0.033 0.395 7.010 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -0.824 2.104 6.019 1.00 0.82 O ATOM 0 H GLU A 105 -2.618 -2.767 5.314 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.588 -1.075 3.075 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.474 -1.700 5.166 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.308 -0.425 3.975 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -2.461 0.572 4.910 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.342 -0.595 6.212 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.443 -3.593 3.077 1.00 0.24 N ATOM 1102 CA PHE A 106 0.466 -4.402 2.279 1.00 0.26 C ATOM 1103 C PHE A 106 -0.268 -5.036 1.107 1.00 0.29 C ATOM 1104 O PHE A 106 0.258 -5.102 -0.004 1.00 0.31 O ATOM 1105 CB PHE A 106 1.107 -5.474 3.164 1.00 0.28 C ATOM 1106 CG PHE A 106 1.984 -6.455 2.439 1.00 0.26 C ATOM 1107 CD1 PHE A 106 3.174 -6.053 1.846 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.624 -7.787 2.365 1.00 0.35 C ATOM 1109 CE1 PHE A 106 3.984 -6.970 1.198 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.425 -8.702 1.717 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.605 -8.296 1.132 1.00 0.28 C ATOM 0 H PHE A 106 -0.579 -3.939 4.027 1.00 0.24 H new ATOM 0 HA PHE A 106 1.250 -3.763 1.873 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.699 -4.981 3.935 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.316 -6.024 3.673 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.470 -5.015 1.891 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.702 -8.116 2.821 1.00 0.35 H new ATOM 0 HE1 PHE A 106 4.910 -6.649 0.745 1.00 0.26 H new ATOM 0 HE2 PHE A 106 2.128 -9.739 1.667 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.232 -9.013 0.623 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.492 -5.478 1.355 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.303 -6.064 0.301 1.00 0.41 C ATOM 1123 C ALA A 107 -2.637 -5.028 -0.760 1.00 0.38 C ATOM 1124 O ALA A 107 -2.714 -5.348 -1.944 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.566 -6.676 0.873 1.00 0.50 C ATOM 0 H ALA A 107 -1.942 -5.442 2.270 1.00 0.35 H new ATOM 0 HA ALA A 107 -1.725 -6.859 -0.171 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.158 -7.109 0.067 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.301 -7.455 1.588 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.148 -5.904 1.377 1.00 0.50 H new ATOM 1131 N LEU A 108 -2.829 -3.783 -0.337 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.053 -2.691 -1.273 1.00 0.34 C ATOM 1133 C LEU A 108 -1.785 -2.398 -2.062 1.00 0.27 C ATOM 1134 O LEU A 108 -1.842 -2.165 -3.269 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.537 -1.440 -0.540 1.00 0.40 C ATOM 1136 CG LEU A 108 -5.053 -1.273 -0.513 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.460 -0.271 0.544 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.556 -0.830 -1.880 1.00 1.32 C ATOM 0 H LEU A 108 -2.834 -3.507 0.645 1.00 0.34 H new ATOM 0 HA LEU A 108 -3.831 -2.994 -1.974 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -3.168 -1.469 0.485 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -3.095 -0.563 -1.013 1.00 0.40 H new ATOM 0 HG LEU A 108 -5.502 -2.235 -0.266 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.545 -0.166 0.547 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -5.126 -0.618 1.522 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.003 0.694 0.326 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.639 -0.714 -1.849 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.097 0.122 -2.146 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.293 -1.580 -2.625 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.648 -2.419 -1.372 1.00 0.23 N ATOM 1151 CA ALA A 109 0.649 -2.279 -2.019 1.00 0.24 C ATOM 1152 C ALA A 109 0.804 -3.308 -3.133 1.00 0.26 C ATOM 1153 O ALA A 109 1.101 -2.961 -4.276 1.00 0.26 O ATOM 1154 CB ALA A 109 1.769 -2.429 -0.997 1.00 0.26 C ATOM 0 H ALA A 109 -0.601 -2.532 -0.359 1.00 0.23 H new ATOM 0 HA ALA A 109 0.711 -1.284 -2.459 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.733 -2.322 -1.495 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.669 -1.659 -0.232 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.708 -3.413 -0.532 1.00 0.26 H new ATOM 1160 N ASN A 110 0.567 -4.571 -2.803 1.00 0.31 N ATOM 1161 CA ASN A 110 0.685 -5.647 -3.780 1.00 0.37 C ATOM 1162 C ASN A 110 -0.367 -5.507 -4.875 1.00 0.35 C ATOM 1163 O ASN A 110 -0.079 -5.735 -6.049 1.00 0.38 O ATOM 1164 CB ASN A 110 0.549 -7.014 -3.113 1.00 0.45 C ATOM 1165 CG ASN A 110 1.679 -7.338 -2.152 1.00 0.52 C ATOM 1166 OD1 ASN A 110 1.481 -8.049 -1.172 1.00 1.36 O ATOM 1167 ND2 ASN A 110 2.875 -6.839 -2.432 1.00 0.83 N ATOM 0 H ASN A 110 0.293 -4.876 -1.869 1.00 0.31 H new ATOM 0 HA ASN A 110 1.676 -5.572 -4.228 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.397 -7.053 -2.574 1.00 0.45 H new ATOM 0 HB3 ASN A 110 0.508 -7.783 -3.885 1.00 0.45 H new ATOM 0 HD21 ASN A 110 3.668 -7.043 -1.823 1.00 0.83 H new ATOM 0 HD22 ASN A 110 3.002 -6.251 -3.256 1.00 0.83 H new ATOM 1174 N HIS A 111 -1.583 -5.121 -4.487 1.00 0.35 N ATOM 1175 CA HIS A 111 -2.666 -4.920 -5.451 1.00 0.37 C ATOM 1176 C HIS A 111 -2.264 -3.882 -6.495 1.00 0.31 C ATOM 1177 O HIS A 111 -2.428 -4.107 -7.689 1.00 0.36 O ATOM 1178 CB HIS A 111 -3.958 -4.487 -4.747 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.132 -4.362 -5.673 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -5.851 -5.440 -6.154 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.693 -3.264 -6.225 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -6.800 -5.005 -6.965 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.721 -3.688 -7.024 1.00 0.66 N ATOM 0 H HIS A 111 -1.842 -4.942 -3.517 1.00 0.35 H new ATOM 0 HA HIS A 111 -2.851 -5.871 -5.951 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.197 -5.209 -3.966 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -3.790 -3.529 -4.254 1.00 0.48 H new ATOM 0 HD1 HIS A 111 -5.677 -6.417 -5.920 1.00 0.60 H new ATOM 0 HD2 HIS A 111 -5.387 -2.241 -6.066 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.516 -5.620 -7.489 1.00 0.67 H new ATOM 1192 N LEU A 112 -1.722 -2.759 -6.037 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.311 -1.681 -6.934 1.00 0.24 C ATOM 1194 C LEU A 112 -0.164 -2.127 -7.836 1.00 0.25 C ATOM 1195 O LEU A 112 -0.165 -1.849 -9.038 1.00 0.29 O ATOM 1196 CB LEU A 112 -0.906 -0.446 -6.128 1.00 0.25 C ATOM 1197 CG LEU A 112 -2.046 0.230 -5.356 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.520 1.405 -4.543 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.147 0.680 -6.307 1.00 0.57 C ATOM 0 H LEU A 112 -1.556 -2.570 -5.049 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.159 -1.424 -7.568 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.128 -0.732 -5.420 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.465 0.284 -6.807 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.471 -0.498 -4.666 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.344 1.871 -4.003 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.774 1.050 -3.832 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -1.065 2.136 -5.212 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.946 1.157 -5.739 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.739 1.390 -7.026 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.545 -0.185 -6.838 1.00 0.57 H new ATOM 1211 N ILE A 113 0.809 -2.825 -7.252 1.00 0.27 N ATOM 1212 CA ILE A 113 1.922 -3.383 -8.019 1.00 0.34 C ATOM 1213 C ILE A 113 1.400 -4.290 -9.123 1.00 0.37 C ATOM 1214 O ILE A 113 1.858 -4.227 -10.266 1.00 0.43 O ATOM 1215 CB ILE A 113 2.890 -4.183 -7.120 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.573 -3.253 -6.115 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.933 -4.909 -7.965 1.00 0.46 C ATOM 1218 CD1 ILE A 113 4.498 -3.973 -5.156 1.00 0.38 C ATOM 0 H ILE A 113 0.849 -3.018 -6.251 1.00 0.27 H new ATOM 0 HA ILE A 113 2.468 -2.546 -8.454 1.00 0.34 H new ATOM 0 HB ILE A 113 2.314 -4.928 -6.571 1.00 0.38 H new ATOM 0 HG12 ILE A 113 4.142 -2.499 -6.659 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.809 -2.725 -5.543 1.00 0.35 H new ATOM 0 HG21 ILE A 113 4.605 -5.467 -7.313 1.00 0.46 H new ATOM 0 HG22 ILE A 113 3.434 -5.598 -8.646 1.00 0.46 H new ATOM 0 HG23 ILE A 113 4.506 -4.182 -8.540 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.947 -3.252 -4.473 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.930 -4.708 -4.586 1.00 0.38 H new ATOM 0 HD13 ILE A 113 5.283 -4.478 -5.718 1.00 0.38 H new ATOM 1230 N LYS A 114 0.431 -5.126 -8.776 1.00 0.36 N ATOM 1231 CA LYS A 114 -0.180 -6.027 -9.740 1.00 0.42 C ATOM 1232 C LYS A 114 -0.850 -5.245 -10.864 1.00 0.36 C ATOM 1233 O LYS A 114 -0.708 -5.607 -12.025 1.00 0.39 O ATOM 1234 CB LYS A 114 -1.190 -6.957 -9.063 1.00 0.52 C ATOM 1235 CG LYS A 114 -1.922 -7.863 -10.042 1.00 0.64 C ATOM 1236 CD LYS A 114 -2.738 -8.929 -9.330 1.00 0.93 C ATOM 1237 CE LYS A 114 -3.576 -9.738 -10.310 1.00 1.55 C ATOM 1238 NZ LYS A 114 -2.747 -10.349 -11.384 1.00 2.07 N ATOM 0 H LYS A 114 0.051 -5.198 -7.832 1.00 0.36 H new ATOM 0 HA LYS A 114 0.613 -6.640 -10.169 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -0.671 -7.572 -8.327 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -1.919 -6.356 -8.519 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -2.580 -7.262 -10.670 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -1.199 -8.341 -10.703 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -2.070 -9.596 -8.784 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -3.390 -8.458 -8.594 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -4.106 -10.523 -9.771 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -4.332 -9.093 -10.759 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -3.314 -11.048 -11.905 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -2.425 -9.607 -12.038 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -1.922 -10.819 -10.960 1.00 2.07 H new ATOM 1252 N VAL A 115 -1.561 -4.170 -10.522 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.205 -3.334 -11.538 1.00 0.37 C ATOM 1254 C VAL A 115 -1.168 -2.845 -12.549 1.00 0.40 C ATOM 1255 O VAL A 115 -1.415 -2.841 -13.759 1.00 0.43 O ATOM 1256 CB VAL A 115 -2.925 -2.109 -10.926 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.703 -1.358 -11.991 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -3.854 -2.525 -9.797 1.00 0.46 C ATOM 0 H VAL A 115 -1.705 -3.859 -9.561 1.00 0.33 H new ATOM 0 HA VAL A 115 -2.954 -3.955 -12.029 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.162 -1.448 -10.515 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.202 -0.500 -11.540 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -3.019 -1.014 -12.766 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.448 -2.020 -12.432 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.346 -1.643 -9.387 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -4.606 -3.215 -10.180 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.277 -3.016 -9.013 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.003 -2.446 -12.037 1.00 0.44 N ATOM 1269 CA LYS A 116 1.113 -2.038 -12.886 1.00 0.54 C ATOM 1270 C LYS A 116 1.585 -3.203 -13.761 1.00 0.59 C ATOM 1271 O LYS A 116 1.823 -3.033 -14.958 1.00 0.72 O ATOM 1272 CB LYS A 116 2.269 -1.515 -12.022 1.00 0.60 C ATOM 1273 CG LYS A 116 1.992 -0.161 -11.375 1.00 0.93 C ATOM 1274 CD LYS A 116 1.924 0.951 -12.410 1.00 1.13 C ATOM 1275 CE LYS A 116 3.248 1.111 -13.137 1.00 0.85 C ATOM 1276 NZ LYS A 116 3.159 2.076 -14.264 1.00 1.25 N ATOM 0 H LYS A 116 0.191 -2.397 -11.037 1.00 0.44 H new ATOM 0 HA LYS A 116 0.773 -1.237 -13.542 1.00 0.54 H new ATOM 0 HB2 LYS A 116 2.484 -2.243 -11.240 1.00 0.60 H new ATOM 0 HB3 LYS A 116 3.164 -1.436 -12.639 1.00 0.60 H new ATOM 0 HG2 LYS A 116 1.052 -0.205 -10.826 1.00 0.93 H new ATOM 0 HG3 LYS A 116 2.774 0.063 -10.650 1.00 0.93 H new ATOM 0 HD2 LYS A 116 1.136 0.732 -13.130 1.00 1.13 H new ATOM 0 HD3 LYS A 116 1.659 1.889 -11.922 1.00 1.13 H new ATOM 0 HE2 LYS A 116 4.009 1.448 -12.432 1.00 0.85 H new ATOM 0 HE3 LYS A 116 3.571 0.142 -13.516 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 4.086 2.152 -14.730 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 2.453 1.743 -14.951 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 2.876 3.009 -13.901 1.00 1.25 H new ATOM 1290 N LEU A 117 1.695 -4.386 -13.161 1.00 0.52 N ATOM 1291 CA LEU A 117 2.123 -5.588 -13.876 1.00 0.60 C ATOM 1292 C LEU A 117 1.114 -5.990 -14.948 1.00 0.54 C ATOM 1293 O LEU A 117 1.477 -6.575 -15.969 1.00 0.63 O ATOM 1294 CB LEU A 117 2.326 -6.749 -12.901 1.00 0.66 C ATOM 1295 CG LEU A 117 3.467 -6.568 -11.899 1.00 0.79 C ATOM 1296 CD1 LEU A 117 3.498 -7.724 -10.912 1.00 0.91 C ATOM 1297 CD2 LEU A 117 4.797 -6.450 -12.631 1.00 0.94 C ATOM 0 H LEU A 117 1.492 -4.539 -12.173 1.00 0.52 H new ATOM 0 HA LEU A 117 3.070 -5.357 -14.365 1.00 0.60 H new ATOM 0 HB2 LEU A 117 1.400 -6.904 -12.348 1.00 0.66 H new ATOM 0 HB3 LEU A 117 2.510 -7.657 -13.476 1.00 0.66 H new ATOM 0 HG LEU A 117 3.297 -5.648 -11.340 1.00 0.79 H new ATOM 0 HD11 LEU A 117 4.316 -7.578 -10.207 1.00 0.91 H new ATOM 0 HD12 LEU A 117 2.554 -7.764 -10.369 1.00 0.91 H new ATOM 0 HD13 LEU A 117 3.646 -8.659 -11.452 1.00 0.91 H new ATOM 0 HD21 LEU A 117 5.601 -6.322 -11.906 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.974 -7.355 -13.213 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.770 -5.589 -13.299 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.151 -5.672 -14.711 1.00 0.44 N ATOM 1310 CA GLU A 118 -1.216 -5.970 -15.663 1.00 0.46 C ATOM 1311 C GLU A 118 -1.126 -5.050 -16.883 1.00 0.49 C ATOM 1312 O GLU A 118 -1.893 -5.191 -17.835 1.00 0.54 O ATOM 1313 CB GLU A 118 -2.593 -5.813 -15.006 1.00 0.51 C ATOM 1314 CG GLU A 118 -2.816 -6.690 -13.782 1.00 0.63 C ATOM 1315 CD GLU A 118 -2.791 -8.172 -14.086 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -3.660 -8.645 -14.848 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -1.887 -8.871 -13.584 1.00 1.65 O ATOM 0 H GLU A 118 -0.468 -5.204 -13.862 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.092 -7.004 -15.986 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -2.727 -4.770 -14.718 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -3.361 -6.041 -15.745 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -2.049 -6.467 -13.041 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -3.776 -6.436 -13.333 1.00 0.63 H new ATOM 1324 N GLY A 119 -0.198 -4.100 -16.840 1.00 0.55 N ATOM 1325 CA GLY A 119 -0.013 -3.188 -17.956 1.00 0.66 C ATOM 1326 C GLY A 119 -0.689 -1.853 -17.725 1.00 0.63 C ATOM 1327 O GLY A 119 -0.656 -0.969 -18.583 1.00 0.80 O ATOM 0 H GLY A 119 0.430 -3.944 -16.052 1.00 0.55 H new ATOM 0 HA2 GLY A 119 1.053 -3.029 -18.120 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -0.411 -3.642 -18.863 1.00 0.66 H new ATOM 1331 N HIS A 120 -1.290 -1.700 -16.558 1.00 0.58 N ATOM 1332 CA HIS A 120 -2.058 -0.504 -16.252 1.00 0.62 C ATOM 1333 C HIS A 120 -1.363 0.302 -15.166 1.00 0.57 C ATOM 1334 O HIS A 120 -0.277 -0.057 -14.714 1.00 0.57 O ATOM 1335 CB HIS A 120 -3.477 -0.880 -15.808 1.00 0.66 C ATOM 1336 CG HIS A 120 -4.162 -1.850 -16.729 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -4.691 -1.494 -17.951 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -4.386 -3.180 -16.601 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -5.207 -2.558 -18.535 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.034 -3.594 -17.739 1.00 0.95 N ATOM 0 H HIS A 120 -1.262 -2.389 -15.806 1.00 0.58 H new ATOM 0 HA HIS A 120 -2.126 0.106 -17.152 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -3.433 -1.312 -14.808 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -4.078 0.027 -15.737 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.107 -3.799 -15.761 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -5.689 -2.577 -19.501 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -5.333 -4.549 -17.936 1.00 0.95 H new ATOM 1349 N GLU A 121 -1.973 1.401 -14.767 1.00 0.64 N ATOM 1350 CA GLU A 121 -1.430 2.225 -13.712 1.00 0.69 C ATOM 1351 C GLU A 121 -2.536 2.719 -12.795 1.00 0.65 C ATOM 1352 O GLU A 121 -3.701 2.789 -13.188 1.00 0.72 O ATOM 1353 CB GLU A 121 -0.646 3.417 -14.282 1.00 0.89 C ATOM 1354 CG GLU A 121 -1.429 4.300 -15.249 1.00 1.75 C ATOM 1355 CD GLU A 121 -1.599 3.674 -16.621 1.00 2.84 C ATOM 1356 OE1 GLU A 121 -0.650 3.745 -17.432 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -2.678 3.113 -16.895 1.00 3.60 O ATOM 0 H GLU A 121 -2.849 1.743 -15.162 1.00 0.64 H new ATOM 0 HA GLU A 121 -0.741 1.609 -13.134 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -0.296 4.033 -13.453 1.00 0.89 H new ATOM 0 HB3 GLU A 121 0.239 3.039 -14.794 1.00 0.89 H new ATOM 0 HG2 GLU A 121 -2.412 4.508 -14.827 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -0.918 5.257 -15.353 1.00 1.75 H new ATOM 1364 N LEU A 122 -2.161 3.051 -11.573 1.00 0.71 N ATOM 1365 CA LEU A 122 -3.100 3.588 -10.604 1.00 0.72 C ATOM 1366 C LEU A 122 -3.303 5.078 -10.871 1.00 0.76 C ATOM 1367 O LEU A 122 -2.353 5.787 -11.196 1.00 0.88 O ATOM 1368 CB LEU A 122 -2.603 3.342 -9.165 1.00 0.80 C ATOM 1369 CG LEU A 122 -1.083 3.233 -8.986 1.00 0.79 C ATOM 1370 CD1 LEU A 122 -0.685 3.666 -7.582 1.00 1.51 C ATOM 1371 CD2 LEU A 122 -0.620 1.800 -9.232 1.00 0.97 C ATOM 0 H LEU A 122 -1.206 2.957 -11.226 1.00 0.71 H new ATOM 0 HA LEU A 122 -4.057 3.077 -10.708 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -2.966 4.153 -8.533 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -3.059 2.423 -8.797 1.00 0.80 H new ATOM 0 HG LEU A 122 -0.604 3.890 -9.712 1.00 0.79 H new ATOM 0 HD11 LEU A 122 0.396 3.584 -7.469 1.00 1.51 H new ATOM 0 HD12 LEU A 122 -0.989 4.700 -7.420 1.00 1.51 H new ATOM 0 HD13 LEU A 122 -1.176 3.025 -6.850 1.00 1.51 H new ATOM 0 HD21 LEU A 122 0.460 1.739 -9.101 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -1.110 1.133 -8.523 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -0.880 1.503 -10.248 1.00 0.97 H new ATOM 1383 N PRO A 123 -4.545 5.572 -10.747 1.00 0.79 N ATOM 1384 CA PRO A 123 -4.894 6.965 -11.089 1.00 0.89 C ATOM 1385 C PRO A 123 -4.385 7.993 -10.074 1.00 0.80 C ATOM 1386 O PRO A 123 -4.731 9.173 -10.153 1.00 0.89 O ATOM 1387 CB PRO A 123 -6.419 6.948 -11.091 1.00 1.01 C ATOM 1388 CG PRO A 123 -6.788 5.859 -10.145 1.00 0.93 C ATOM 1389 CD PRO A 123 -5.719 4.809 -10.280 1.00 0.83 C ATOM 0 HA PRO A 123 -4.438 7.265 -12.033 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -6.826 7.907 -10.769 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -6.811 6.755 -12.089 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -6.841 6.232 -9.122 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -7.769 5.450 -10.386 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -5.523 4.311 -9.330 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -6.004 4.035 -10.992 1.00 0.83 H new ATOM 1397 N ALA A 124 -3.568 7.530 -9.128 1.00 0.67 N ATOM 1398 CA ALA A 124 -3.048 8.365 -8.043 1.00 0.67 C ATOM 1399 C ALA A 124 -4.178 8.865 -7.147 1.00 0.62 C ATOM 1400 O ALA A 124 -4.015 9.819 -6.386 1.00 0.71 O ATOM 1401 CB ALA A 124 -2.237 9.535 -8.592 1.00 0.87 C ATOM 0 H ALA A 124 -3.247 6.563 -9.092 1.00 0.67 H new ATOM 0 HA ALA A 124 -2.384 7.748 -7.438 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -1.863 10.138 -7.765 1.00 0.87 H new ATOM 0 HB2 ALA A 124 -1.397 9.155 -9.173 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -2.871 10.149 -9.231 1.00 0.87 H new ATOM 1407 N ASP A 125 -5.318 8.190 -7.222 1.00 0.57 N ATOM 1408 CA ASP A 125 -6.462 8.523 -6.389 1.00 0.57 C ATOM 1409 C ASP A 125 -6.845 7.339 -5.538 1.00 0.50 C ATOM 1410 O ASP A 125 -6.994 6.230 -6.048 1.00 0.56 O ATOM 1411 CB ASP A 125 -7.682 8.933 -7.224 1.00 0.68 C ATOM 1412 CG ASP A 125 -7.482 10.225 -7.985 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -7.402 11.292 -7.343 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -7.387 10.177 -9.231 1.00 1.94 O ATOM 0 H ASP A 125 -5.473 7.405 -7.855 1.00 0.57 H new ATOM 0 HA ASP A 125 -6.166 9.366 -5.765 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -7.914 8.136 -7.930 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -8.545 9.037 -6.566 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.949 7.560 -4.240 1.00 0.45 N ATOM 1420 CA LEU A 126 -7.567 6.589 -3.355 1.00 0.48 C ATOM 1421 C LEU A 126 -9.047 6.918 -3.158 1.00 0.51 C ATOM 1422 O LEU A 126 -9.394 7.783 -2.351 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.865 6.565 -2.001 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.383 6.181 -2.032 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.809 6.186 -0.625 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -5.181 4.822 -2.697 1.00 0.56 C ATOM 0 H LEU A 126 -6.613 8.404 -3.775 1.00 0.45 H new ATOM 0 HA LEU A 126 -7.474 5.606 -3.816 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.957 7.551 -1.546 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.390 5.864 -1.352 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.850 6.922 -2.627 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.755 5.911 -0.661 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -4.910 7.182 -0.194 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.350 5.468 -0.009 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -4.119 4.575 -2.705 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.727 4.060 -2.141 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -5.553 4.859 -3.721 1.00 0.56 H new ATOM 1438 N PRO A 127 -9.936 6.260 -3.914 1.00 0.55 N ATOM 1439 CA PRO A 127 -11.379 6.416 -3.750 1.00 0.61 C ATOM 1440 C PRO A 127 -11.916 5.528 -2.625 1.00 0.50 C ATOM 1441 O PRO A 127 -11.181 4.698 -2.089 1.00 0.46 O ATOM 1442 CB PRO A 127 -11.918 5.957 -5.103 1.00 0.75 C ATOM 1443 CG PRO A 127 -10.956 4.923 -5.555 1.00 0.72 C ATOM 1444 CD PRO A 127 -9.611 5.322 -5.007 1.00 0.63 C ATOM 0 HA PRO A 127 -11.671 7.431 -3.479 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -12.925 5.549 -5.012 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.972 6.785 -5.810 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -11.246 3.937 -5.191 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -10.930 4.866 -6.643 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -9.057 4.458 -4.640 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -8.994 5.796 -5.770 1.00 0.63 H new ATOM 1452 N PRO A 128 -13.206 5.674 -2.266 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.835 4.867 -1.213 1.00 0.52 C ATOM 1454 C PRO A 128 -13.662 3.363 -1.422 1.00 0.50 C ATOM 1455 O PRO A 128 -13.566 2.609 -0.461 1.00 0.58 O ATOM 1456 CB PRO A 128 -15.310 5.242 -1.303 1.00 0.66 C ATOM 1457 CG PRO A 128 -15.327 6.599 -1.910 1.00 0.71 C ATOM 1458 CD PRO A 128 -14.146 6.657 -2.837 1.00 0.63 C ATOM 0 HA PRO A 128 -13.382 5.067 -0.242 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.862 4.529 -1.916 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -15.777 5.245 -0.318 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -16.257 6.771 -2.452 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -15.258 7.370 -1.143 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -14.425 6.398 -3.858 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.711 7.656 -2.869 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.596 2.932 -2.680 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.506 1.503 -2.983 1.00 0.59 C ATOM 1468 C HIS A 129 -12.052 1.036 -3.072 1.00 0.60 C ATOM 1469 O HIS A 129 -11.770 -0.054 -3.571 1.00 0.74 O ATOM 1470 CB HIS A 129 -14.280 1.158 -4.269 1.00 0.71 C ATOM 1471 CG HIS A 129 -13.725 1.741 -5.535 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -14.183 2.910 -6.101 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -12.777 1.268 -6.378 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -13.540 3.127 -7.235 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -12.679 2.147 -7.424 1.00 0.94 N ATOM 0 H HIS A 129 -13.603 3.542 -3.498 1.00 0.50 H new ATOM 0 HA HIS A 129 -13.971 0.965 -2.157 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.312 0.073 -4.373 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -15.309 1.497 -4.154 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -12.203 0.363 -6.249 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -13.694 3.967 -7.896 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -12.045 2.058 -8.218 1.00 0.94 H new ATOM 1484 N LEU A 130 -11.133 1.868 -2.591 1.00 0.50 N ATOM 1485 CA LEU A 130 -9.727 1.487 -2.482 1.00 0.56 C ATOM 1486 C LEU A 130 -9.190 1.816 -1.091 1.00 0.56 C ATOM 1487 O LEU A 130 -8.275 1.157 -0.602 1.00 0.64 O ATOM 1488 CB LEU A 130 -8.874 2.173 -3.553 1.00 0.60 C ATOM 1489 CG LEU A 130 -9.021 1.603 -4.970 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -8.077 2.310 -5.928 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -8.754 0.105 -4.976 1.00 0.83 C ATOM 0 H LEU A 130 -11.337 2.814 -2.269 1.00 0.50 H new ATOM 0 HA LEU A 130 -9.664 0.411 -2.642 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -9.131 3.232 -3.576 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -7.827 2.106 -3.259 1.00 0.60 H new ATOM 0 HG LEU A 130 -10.045 1.773 -5.302 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -8.194 1.893 -6.928 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -8.310 3.375 -5.949 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -7.049 2.170 -5.595 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -8.863 -0.280 -5.990 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -7.741 -0.085 -4.623 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -9.467 -0.394 -4.320 1.00 0.83 H new ATOM 1503 N VAL A 131 -9.758 2.840 -0.461 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.417 3.174 0.917 1.00 0.65 C ATOM 1505 C VAL A 131 -10.053 2.170 1.871 1.00 0.79 C ATOM 1506 O VAL A 131 -11.274 2.014 1.900 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.885 4.594 1.300 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -9.574 4.891 2.760 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -9.243 5.635 0.399 1.00 1.40 C ATOM 0 H VAL A 131 -10.456 3.452 -0.883 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.331 3.137 0.998 1.00 0.65 H new ATOM 0 HB VAL A 131 -10.965 4.640 1.163 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -9.913 5.897 3.007 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -10.087 4.169 3.395 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -8.499 4.820 2.925 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -9.588 6.628 0.687 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -8.159 5.584 0.499 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -9.521 5.441 -0.637 1.00 1.40 H new ATOM 1519 N PRO A 132 -9.229 1.471 2.658 1.00 0.88 N ATOM 1520 CA PRO A 132 -9.713 0.479 3.609 1.00 1.09 C ATOM 1521 C PRO A 132 -10.617 1.104 4.664 1.00 1.10 C ATOM 1522 O PRO A 132 -10.404 2.247 5.070 1.00 0.97 O ATOM 1523 CB PRO A 132 -8.442 -0.068 4.261 1.00 1.22 C ATOM 1524 CG PRO A 132 -7.325 0.337 3.362 1.00 1.22 C ATOM 1525 CD PRO A 132 -7.766 1.599 2.684 1.00 0.93 C ATOM 0 HA PRO A 132 -10.311 -0.290 3.120 1.00 1.09 H new ATOM 0 HB2 PRO A 132 -8.308 0.341 5.262 1.00 1.22 H new ATOM 0 HB3 PRO A 132 -8.489 -1.152 4.364 1.00 1.22 H new ATOM 0 HG2 PRO A 132 -6.409 0.500 3.930 1.00 1.22 H new ATOM 0 HG3 PRO A 132 -7.112 -0.443 2.631 1.00 1.22 H new ATOM 0 HD2 PRO A 132 -7.449 2.484 3.235 1.00 0.93 H new ATOM 0 HD3 PRO A 132 -7.351 1.683 1.680 1.00 0.93 H new ATOM 1533 N PRO A 133 -11.622 0.350 5.142 1.00 1.36 N ATOM 1534 CA PRO A 133 -12.592 0.841 6.129 1.00 1.54 C ATOM 1535 C PRO A 133 -11.924 1.319 7.412 1.00 1.51 C ATOM 1536 O PRO A 133 -12.465 2.160 8.128 1.00 1.67 O ATOM 1537 CB PRO A 133 -13.472 -0.378 6.414 1.00 1.84 C ATOM 1538 CG PRO A 133 -13.305 -1.248 5.220 1.00 1.86 C ATOM 1539 CD PRO A 133 -11.891 -1.046 4.763 1.00 1.58 C ATOM 0 HA PRO A 133 -13.144 1.702 5.753 1.00 1.54 H new ATOM 0 HB2 PRO A 133 -13.158 -0.889 7.324 1.00 1.84 H new ATOM 0 HB3 PRO A 133 -14.514 -0.091 6.553 1.00 1.84 H new ATOM 0 HG2 PRO A 133 -13.490 -2.293 5.468 1.00 1.86 H new ATOM 0 HG3 PRO A 133 -14.012 -0.976 4.436 1.00 1.86 H new ATOM 0 HD2 PRO A 133 -11.205 -1.737 5.253 1.00 1.58 H new ATOM 0 HD3 PRO A 133 -11.787 -1.201 3.689 1.00 1.58 H new ATOM 1547 N SER A 134 -10.735 0.794 7.687 1.00 1.40 N ATOM 1548 CA SER A 134 -9.995 1.172 8.876 1.00 1.43 C ATOM 1549 C SER A 134 -9.548 2.628 8.799 1.00 1.30 C ATOM 1550 O SER A 134 -9.238 3.238 9.817 1.00 1.46 O ATOM 1551 CB SER A 134 -8.782 0.257 9.060 1.00 1.43 C ATOM 1552 OG SER A 134 -8.068 0.567 10.252 1.00 2.07 O ATOM 0 H SER A 134 -10.266 0.105 7.099 1.00 1.40 H new ATOM 0 HA SER A 134 -10.655 1.062 9.736 1.00 1.43 H new ATOM 0 HB2 SER A 134 -9.111 -0.782 9.092 1.00 1.43 H new ATOM 0 HB3 SER A 134 -8.118 0.355 8.201 1.00 1.43 H new ATOM 0 HG SER A 134 -7.301 -0.036 10.340 1.00 2.07 H new ATOM 1558 N LYS A 135 -9.503 3.171 7.585 1.00 1.09 N ATOM 1559 CA LYS A 135 -9.066 4.544 7.383 1.00 1.04 C ATOM 1560 C LYS A 135 -10.160 5.392 6.728 1.00 1.20 C ATOM 1561 O LYS A 135 -9.869 6.387 6.062 1.00 1.27 O ATOM 1562 CB LYS A 135 -7.784 4.586 6.540 1.00 0.89 C ATOM 1563 CG LYS A 135 -6.568 4.016 7.259 1.00 0.87 C ATOM 1564 CD LYS A 135 -6.392 2.524 7.006 1.00 0.93 C ATOM 1565 CE LYS A 135 -5.531 1.884 8.087 1.00 1.23 C ATOM 1566 NZ LYS A 135 -5.023 0.543 7.697 1.00 1.27 N ATOM 0 H LYS A 135 -9.764 2.680 6.730 1.00 1.09 H new ATOM 0 HA LYS A 135 -8.856 4.969 8.365 1.00 1.04 H new ATOM 0 HB2 LYS A 135 -7.946 4.028 5.618 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.578 5.618 6.256 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -5.674 4.546 6.931 1.00 0.87 H new ATOM 0 HG3 LYS A 135 -6.667 4.191 8.330 1.00 0.87 H new ATOM 0 HD2 LYS A 135 -7.368 2.039 6.979 1.00 0.93 H new ATOM 0 HD3 LYS A 135 -5.931 2.369 6.030 1.00 0.93 H new ATOM 0 HE2 LYS A 135 -4.687 2.538 8.308 1.00 1.23 H new ATOM 0 HE3 LYS A 135 -6.113 1.795 9.004 1.00 1.23 H new ATOM 0 HZ1 LYS A 135 -4.969 -0.066 8.538 1.00 1.27 H new ATOM 0 HZ2 LYS A 135 -5.668 0.116 7.002 1.00 1.27 H new ATOM 0 HZ3 LYS A 135 -4.076 0.639 7.278 1.00 1.27 H new ATOM 1580 N ARG A 136 -11.417 5.003 6.926 1.00 1.35 N ATOM 1581 CA ARG A 136 -12.545 5.765 6.390 1.00 1.57 C ATOM 1582 C ARG A 136 -13.041 6.782 7.412 1.00 1.86 C ATOM 1583 O ARG A 136 -13.612 6.419 8.444 1.00 1.91 O ATOM 1584 CB ARG A 136 -13.690 4.836 5.968 1.00 1.66 C ATOM 1585 CG ARG A 136 -13.352 3.961 4.773 1.00 1.55 C ATOM 1586 CD ARG A 136 -13.054 4.794 3.536 1.00 1.64 C ATOM 1587 NE ARG A 136 -14.229 5.538 3.080 1.00 2.03 N ATOM 1588 CZ ARG A 136 -14.178 6.600 2.280 1.00 2.56 C ATOM 1589 NH1 ARG A 136 -13.012 7.077 1.861 1.00 3.07 N ATOM 1590 NH2 ARG A 136 -15.300 7.197 1.909 1.00 3.04 N ATOM 0 H ARG A 136 -11.681 4.169 7.451 1.00 1.35 H new ATOM 0 HA ARG A 136 -12.196 6.299 5.506 1.00 1.57 H new ATOM 0 HB2 ARG A 136 -13.959 4.199 6.810 1.00 1.66 H new ATOM 0 HB3 ARG A 136 -14.567 5.438 5.731 1.00 1.66 H new ATOM 0 HG2 ARG A 136 -12.489 3.338 5.010 1.00 1.55 H new ATOM 0 HG3 ARG A 136 -14.184 3.288 4.567 1.00 1.55 H new ATOM 0 HD2 ARG A 136 -12.246 5.492 3.755 1.00 1.64 H new ATOM 0 HD3 ARG A 136 -12.704 4.142 2.735 1.00 1.64 H new ATOM 0 HE ARG A 136 -15.146 5.222 3.396 1.00 2.03 H new ATOM 0 HH11 ARG A 136 -12.143 6.629 2.152 1.00 3.07 H new ATOM 0 HH12 ARG A 136 -12.985 7.892 1.248 1.00 3.07 H new ATOM 0 HH21 ARG A 136 -16.199 6.843 2.236 1.00 3.04 H new ATOM 0 HH22 ARG A 136 -15.266 8.011 1.296 1.00 3.04 H new ATOM 1604 N ARG A 137 -12.806 8.054 7.119 1.00 2.15 N ATOM 1605 CA ARG A 137 -13.156 9.134 8.031 1.00 2.50 C ATOM 1606 C ARG A 137 -14.655 9.401 8.035 1.00 2.95 C ATOM 1607 O ARG A 137 -15.242 9.728 7.003 1.00 3.20 O ATOM 1608 CB ARG A 137 -12.421 10.421 7.649 1.00 2.86 C ATOM 1609 CG ARG A 137 -10.913 10.347 7.809 1.00 3.19 C ATOM 1610 CD ARG A 137 -10.247 11.643 7.369 1.00 3.72 C ATOM 1611 NE ARG A 137 -10.747 12.805 8.108 1.00 4.09 N ATOM 1612 CZ ARG A 137 -10.258 14.040 7.986 1.00 4.82 C ATOM 1613 NH1 ARG A 137 -9.279 14.298 7.123 1.00 5.22 N ATOM 1614 NH2 ARG A 137 -10.770 15.023 8.712 1.00 5.46 N ATOM 0 H ARG A 137 -12.371 8.364 6.250 1.00 2.15 H new ATOM 0 HA ARG A 137 -12.854 8.820 9.030 1.00 2.50 H new ATOM 0 HB2 ARG A 137 -12.654 10.665 6.612 1.00 2.86 H new ATOM 0 HB3 ARG A 137 -12.801 11.239 8.262 1.00 2.86 H new ATOM 0 HG2 ARG A 137 -10.665 10.143 8.851 1.00 3.19 H new ATOM 0 HG3 ARG A 137 -10.523 9.517 7.220 1.00 3.19 H new ATOM 0 HD2 ARG A 137 -9.169 11.561 7.511 1.00 3.72 H new ATOM 0 HD3 ARG A 137 -10.418 11.793 6.303 1.00 3.72 H new ATOM 0 HE ARG A 137 -11.519 12.660 8.758 1.00 4.09 H new ATOM 0 HH11 ARG A 137 -8.896 13.548 6.547 1.00 5.22 H new ATOM 0 HH12 ARG A 137 -8.912 15.246 7.037 1.00 5.22 H new ATOM 0 HH21 ARG A 137 -11.534 14.833 9.360 1.00 5.46 H new ATOM 0 HH22 ARG A 137 -10.400 15.969 8.623 1.00 5.46 H new ATOM 1628 N HIS A 138 -15.268 9.250 9.195 1.00 3.24 N ATOM 1629 CA HIS A 138 -16.653 9.647 9.374 1.00 3.79 C ATOM 1630 C HIS A 138 -16.707 10.967 10.127 1.00 4.40 C ATOM 1631 O HIS A 138 -16.093 11.102 11.186 1.00 4.46 O ATOM 1632 CB HIS A 138 -17.469 8.557 10.099 1.00 3.91 C ATOM 1633 CG HIS A 138 -16.913 8.116 11.429 1.00 4.55 C ATOM 1634 ND1 HIS A 138 -16.191 6.952 11.588 1.00 4.96 N ATOM 1635 CD2 HIS A 138 -16.986 8.677 12.663 1.00 5.14 C ATOM 1636 CE1 HIS A 138 -15.844 6.816 12.855 1.00 5.75 C ATOM 1637 NE2 HIS A 138 -16.315 7.847 13.527 1.00 5.80 N ATOM 0 H HIS A 138 -14.829 8.856 10.027 1.00 3.24 H new ATOM 0 HA HIS A 138 -17.107 9.778 8.392 1.00 3.79 H new ATOM 0 HB2 HIS A 138 -18.483 8.926 10.252 1.00 3.91 H new ATOM 0 HB3 HIS A 138 -17.542 7.686 9.447 1.00 3.91 H new ATOM 0 HD2 HIS A 138 -17.480 9.603 12.918 1.00 5.14 H new ATOM 0 HE1 HIS A 138 -15.272 5.999 13.270 1.00 5.75 H new ATOM 0 HE2 HIS A 138 -16.200 8.003 14.528 1.00 5.80 H new ATOM 1646 N GLU A 139 -17.414 11.935 9.554 1.00 4.94 N ATOM 1647 CA GLU A 139 -17.554 13.267 10.141 1.00 5.66 C ATOM 1648 C GLU A 139 -16.188 13.944 10.278 1.00 6.33 C ATOM 1649 O GLU A 139 -15.738 14.177 11.422 1.00 6.61 O ATOM 1650 CB GLU A 139 -18.258 13.191 11.504 1.00 5.83 C ATOM 1651 CG GLU A 139 -19.635 12.543 11.450 1.00 6.14 C ATOM 1652 CD GLU A 139 -20.627 13.330 10.618 1.00 6.54 C ATOM 1653 OE1 GLU A 139 -21.134 14.360 11.106 1.00 6.74 O ATOM 1654 OE2 GLU A 139 -20.925 12.907 9.477 1.00 6.93 O ATOM 1655 OXT GLU A 139 -15.554 14.212 9.235 1.00 6.88 O ATOM 0 H GLU A 139 -17.907 11.820 8.669 1.00 4.94 H new ATOM 0 HA GLU A 139 -18.169 13.869 9.472 1.00 5.66 H new ATOM 0 HB2 GLU A 139 -17.630 12.630 12.196 1.00 5.83 H new ATOM 0 HB3 GLU A 139 -18.357 14.199 11.908 1.00 5.83 H new ATOM 0 HG2 GLU A 139 -19.542 11.538 11.039 1.00 6.14 H new ATOM 0 HG3 GLU A 139 -20.021 12.439 12.464 1.00 6.14 H new TER 1662 GLU A 139 ATOM 1663 N LEU B 143 8.679 19.483 4.935 1.00 8.33 N ATOM 1664 CA LEU B 143 7.539 18.560 5.133 1.00 8.11 C ATOM 1665 C LEU B 143 7.143 17.879 3.824 1.00 7.41 C ATOM 1666 O LEU B 143 6.318 16.962 3.819 1.00 7.62 O ATOM 1667 CB LEU B 143 6.324 19.301 5.716 1.00 8.69 C ATOM 1668 CG LEU B 143 5.613 20.288 4.778 1.00 9.73 C ATOM 1669 CD1 LEU B 143 4.267 20.670 5.364 1.00 10.57 C ATOM 1670 CD2 LEU B 143 6.450 21.541 4.547 1.00 10.05 C ATOM 0 HA LEU B 143 7.862 17.797 5.841 1.00 8.11 H new ATOM 0 HB2 LEU B 143 5.597 18.559 6.046 1.00 8.69 H new ATOM 0 HB3 LEU B 143 6.649 19.845 6.603 1.00 8.69 H new ATOM 0 HG LEU B 143 5.471 19.797 3.815 1.00 9.73 H new ATOM 0 HD11 LEU B 143 3.765 21.370 4.696 1.00 10.57 H new ATOM 0 HD12 LEU B 143 3.654 19.776 5.480 1.00 10.57 H new ATOM 0 HD13 LEU B 143 4.414 21.138 6.337 1.00 10.57 H new ATOM 0 HD21 LEU B 143 5.916 22.217 3.879 1.00 10.05 H new ATOM 0 HD22 LEU B 143 6.630 22.039 5.500 1.00 10.05 H new ATOM 0 HD23 LEU B 143 7.403 21.264 4.097 1.00 10.05 H new ATOM 1684 N GLU B 144 7.718 18.317 2.709 1.00 6.82 N ATOM 1685 CA GLU B 144 7.348 17.761 1.416 1.00 6.37 C ATOM 1686 C GLU B 144 8.130 16.495 1.112 1.00 5.76 C ATOM 1687 O GLU B 144 7.619 15.591 0.454 1.00 6.34 O ATOM 1688 CB GLU B 144 7.517 18.795 0.308 1.00 6.59 C ATOM 1689 CG GLU B 144 6.453 19.874 0.367 1.00 6.77 C ATOM 1690 CD GLU B 144 5.064 19.282 0.487 1.00 7.52 C ATOM 1691 OE1 GLU B 144 4.569 18.708 -0.501 1.00 8.04 O ATOM 1692 OE2 GLU B 144 4.445 19.423 1.561 1.00 7.76 O ATOM 0 H GLU B 144 8.432 19.045 2.675 1.00 6.82 H new ATOM 0 HA GLU B 144 6.293 17.489 1.462 1.00 6.37 H new ATOM 0 HB2 GLU B 144 8.503 19.254 0.388 1.00 6.59 H new ATOM 0 HB3 GLU B 144 7.475 18.298 -0.661 1.00 6.59 H new ATOM 0 HG2 GLU B 144 6.645 20.529 1.217 1.00 6.77 H new ATOM 0 HG3 GLU B 144 6.510 20.491 -0.530 1.00 6.77 H new ATOM 1699 N SER B 145 9.356 16.426 1.599 1.00 4.78 N ATOM 1700 CA SER B 145 10.121 15.198 1.512 1.00 4.29 C ATOM 1701 C SER B 145 9.534 14.198 2.503 1.00 3.58 C ATOM 1702 O SER B 145 9.705 14.347 3.714 1.00 3.60 O ATOM 1703 CB SER B 145 11.594 15.468 1.825 1.00 4.37 C ATOM 1704 OG SER B 145 12.089 16.550 1.049 1.00 5.11 O ATOM 0 H SER B 145 9.839 17.200 2.055 1.00 4.78 H new ATOM 0 HA SER B 145 10.066 14.791 0.502 1.00 4.29 H new ATOM 0 HB2 SER B 145 11.709 15.694 2.885 1.00 4.37 H new ATOM 0 HB3 SER B 145 12.182 14.573 1.624 1.00 4.37 H new ATOM 0 HG SER B 145 13.032 16.705 1.268 1.00 5.11 H new ATOM 1710 N LYS B 146 8.809 13.208 1.995 1.00 3.39 N ATOM 1711 CA LYS B 146 8.086 12.286 2.855 1.00 2.94 C ATOM 1712 C LYS B 146 8.984 11.129 3.298 1.00 2.13 C ATOM 1713 O LYS B 146 9.293 10.227 2.518 1.00 2.58 O ATOM 1714 CB LYS B 146 6.835 11.763 2.138 1.00 3.85 C ATOM 1715 CG LYS B 146 5.828 12.854 1.769 1.00 4.69 C ATOM 1716 CD LYS B 146 5.282 13.564 3.004 1.00 5.34 C ATOM 1717 CE LYS B 146 4.159 14.542 2.661 1.00 6.30 C ATOM 1718 NZ LYS B 146 4.639 15.702 1.862 1.00 6.70 N ATOM 0 H LYS B 146 8.708 13.026 0.997 1.00 3.39 H new ATOM 0 HA LYS B 146 7.774 12.824 3.750 1.00 2.94 H new ATOM 0 HB2 LYS B 146 7.140 11.242 1.230 1.00 3.85 H new ATOM 0 HB3 LYS B 146 6.343 11.029 2.776 1.00 3.85 H new ATOM 0 HG2 LYS B 146 6.305 13.582 1.113 1.00 4.69 H new ATOM 0 HG3 LYS B 146 5.003 12.413 1.209 1.00 4.69 H new ATOM 0 HD2 LYS B 146 4.912 12.823 3.713 1.00 5.34 H new ATOM 0 HD3 LYS B 146 6.091 14.102 3.499 1.00 5.34 H new ATOM 0 HE2 LYS B 146 3.382 14.018 2.104 1.00 6.30 H new ATOM 0 HE3 LYS B 146 3.702 14.903 3.582 1.00 6.30 H new ATOM 0 HZ1 LYS B 146 3.823 16.244 1.512 1.00 6.70 H new ATOM 0 HZ2 LYS B 146 5.231 16.314 2.459 1.00 6.70 H new ATOM 0 HZ3 LYS B 146 5.199 15.360 1.055 1.00 6.70 H new ATOM 1732 N PRO B 147 9.395 11.131 4.576 1.00 1.37 N ATOM 1733 CA PRO B 147 10.366 10.180 5.109 1.00 1.19 C ATOM 1734 C PRO B 147 9.730 8.869 5.560 1.00 0.89 C ATOM 1735 O PRO B 147 10.349 8.076 6.271 1.00 1.17 O ATOM 1736 CB PRO B 147 10.967 10.921 6.313 1.00 1.79 C ATOM 1737 CG PRO B 147 10.143 12.162 6.512 1.00 1.96 C ATOM 1738 CD PRO B 147 8.946 12.056 5.613 1.00 1.74 C ATOM 0 HA PRO B 147 11.096 9.890 4.354 1.00 1.19 H new ATOM 0 HB2 PRO B 147 10.944 10.294 7.204 1.00 1.79 H new ATOM 0 HB3 PRO B 147 12.011 11.175 6.129 1.00 1.79 H new ATOM 0 HG2 PRO B 147 9.834 12.254 7.553 1.00 1.96 H new ATOM 0 HG3 PRO B 147 10.725 13.052 6.272 1.00 1.96 H new ATOM 0 HD2 PRO B 147 8.074 11.674 6.145 1.00 1.74 H new ATOM 0 HD3 PRO B 147 8.667 13.024 5.197 1.00 1.74 H new ATOM 1746 N TYR B 148 8.501 8.639 5.128 1.00 0.63 N ATOM 1747 CA TYR B 148 7.765 7.445 5.514 1.00 0.45 C ATOM 1748 C TYR B 148 7.853 6.407 4.410 1.00 0.40 C ATOM 1749 O TYR B 148 7.268 5.328 4.500 1.00 0.58 O ATOM 1750 CB TYR B 148 6.300 7.784 5.792 1.00 0.52 C ATOM 1751 CG TYR B 148 6.118 8.867 6.826 1.00 0.55 C ATOM 1752 CD1 TYR B 148 6.040 8.560 8.177 1.00 0.63 C ATOM 1753 CD2 TYR B 148 6.027 10.198 6.448 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.872 9.550 9.123 1.00 0.72 C ATOM 1755 CE2 TYR B 148 5.862 11.195 7.389 1.00 0.73 C ATOM 1756 CZ TYR B 148 5.785 10.865 8.725 1.00 0.75 C ATOM 1757 OH TYR B 148 5.616 11.850 9.668 1.00 0.89 O ATOM 0 H TYR B 148 7.990 9.266 4.507 1.00 0.63 H new ATOM 0 HA TYR B 148 8.208 7.042 6.425 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.825 8.097 4.862 1.00 0.52 H new ATOM 0 HB3 TYR B 148 5.784 6.884 6.126 1.00 0.52 H new ATOM 0 HD1 TYR B 148 6.112 7.530 8.493 1.00 0.63 H new ATOM 0 HD2 TYR B 148 6.086 10.459 5.402 1.00 0.63 H new ATOM 0 HE1 TYR B 148 5.809 9.295 10.170 1.00 0.72 H new ATOM 0 HE2 TYR B 148 5.794 12.228 7.080 1.00 0.73 H new ATOM 0 HH TYR B 148 5.574 12.723 9.225 1.00 0.89 H new ATOM 1767 N ASN B 149 8.593 6.752 3.371 1.00 0.38 N ATOM 1768 CA ASN B 149 8.712 5.909 2.199 1.00 0.30 C ATOM 1769 C ASN B 149 10.152 5.419 2.059 1.00 0.31 C ATOM 1770 O ASN B 149 11.073 6.220 1.900 1.00 0.36 O ATOM 1771 CB ASN B 149 8.283 6.700 0.959 1.00 0.34 C ATOM 1772 CG ASN B 149 8.128 5.844 -0.287 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.713 4.773 -0.406 1.00 0.27 O ATOM 1774 ND2 ASN B 149 7.357 6.333 -1.244 1.00 0.43 N ATOM 0 H ASN B 149 9.125 7.621 3.318 1.00 0.38 H new ATOM 0 HA ASN B 149 8.063 5.040 2.302 1.00 0.30 H new ATOM 0 HB2 ASN B 149 7.336 7.199 1.167 1.00 0.34 H new ATOM 0 HB3 ASN B 149 9.019 7.480 0.764 1.00 0.34 H new ATOM 0 HD21 ASN B 149 7.234 5.816 -2.114 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.885 7.227 -1.112 1.00 0.43 H new ATOM 1781 N PRO B 150 10.363 4.092 2.129 1.00 0.30 N ATOM 1782 CA PRO B 150 11.696 3.487 2.004 1.00 0.34 C ATOM 1783 C PRO B 150 12.234 3.542 0.575 1.00 0.33 C ATOM 1784 O PRO B 150 13.338 3.086 0.297 1.00 0.35 O ATOM 1785 CB PRO B 150 11.469 2.037 2.432 1.00 0.38 C ATOM 1786 CG PRO B 150 10.039 1.772 2.121 1.00 0.51 C ATOM 1787 CD PRO B 150 9.321 3.074 2.354 1.00 0.30 C ATOM 0 HA PRO B 150 12.437 4.014 2.605 1.00 0.34 H new ATOM 0 HB2 PRO B 150 12.125 1.356 1.889 1.00 0.38 H new ATOM 0 HB3 PRO B 150 11.676 1.900 3.493 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.918 1.438 1.091 1.00 0.51 H new ATOM 0 HG3 PRO B 150 9.639 0.985 2.760 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.484 3.199 1.667 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.915 3.133 3.364 1.00 0.30 H new ATOM 1795 N PHE B 151 11.429 4.057 -0.335 1.00 0.32 N ATOM 1796 CA PHE B 151 11.859 4.257 -1.705 1.00 0.35 C ATOM 1797 C PHE B 151 12.051 5.743 -1.959 1.00 0.39 C ATOM 1798 O PHE B 151 12.315 6.173 -3.081 1.00 0.50 O ATOM 1799 CB PHE B 151 10.827 3.674 -2.667 1.00 0.32 C ATOM 1800 CG PHE B 151 10.394 2.295 -2.277 1.00 0.32 C ATOM 1801 CD1 PHE B 151 11.252 1.223 -2.422 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.130 2.072 -1.755 1.00 0.32 C ATOM 1803 CE1 PHE B 151 10.862 -0.048 -2.055 1.00 0.46 C ATOM 1804 CE2 PHE B 151 8.733 0.804 -1.386 1.00 0.39 C ATOM 1805 CZ PHE B 151 9.601 -0.257 -1.536 1.00 0.45 C ATOM 0 H PHE B 151 10.469 4.346 -0.148 1.00 0.32 H new ATOM 0 HA PHE B 151 12.807 3.744 -1.870 1.00 0.35 H new ATOM 0 HB2 PHE B 151 9.956 4.329 -2.701 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.246 3.649 -3.673 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.240 1.382 -2.828 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.448 2.901 -1.636 1.00 0.32 H new ATOM 0 HE1 PHE B 151 11.543 -0.878 -2.174 1.00 0.46 H new ATOM 0 HE2 PHE B 151 7.745 0.642 -0.981 1.00 0.39 H new ATOM 0 HZ PHE B 151 9.294 -1.251 -1.247 1.00 0.45 H new ATOM 1815 N GLU B 152 11.918 6.511 -0.891 1.00 0.41 N ATOM 1816 CA GLU B 152 12.012 7.957 -0.954 1.00 0.49 C ATOM 1817 C GLU B 152 12.996 8.426 0.116 1.00 0.59 C ATOM 1818 O GLU B 152 13.035 9.598 0.491 1.00 0.76 O ATOM 1819 CB GLU B 152 10.612 8.542 -0.728 1.00 0.60 C ATOM 1820 CG GLU B 152 10.415 9.974 -1.202 1.00 0.62 C ATOM 1821 CD GLU B 152 8.955 10.393 -1.147 1.00 0.74 C ATOM 1822 OE1 GLU B 152 8.078 9.599 -1.545 1.00 1.01 O ATOM 1823 OE2 GLU B 152 8.672 11.532 -0.697 1.00 1.42 O ATOM 0 H GLU B 152 11.741 6.147 0.045 1.00 0.41 H new ATOM 0 HA GLU B 152 12.375 8.293 -1.925 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.886 7.907 -1.235 1.00 0.60 H new ATOM 0 HB3 GLU B 152 10.386 8.496 0.337 1.00 0.60 H new ATOM 0 HG2 GLU B 152 11.009 10.646 -0.583 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.783 10.072 -2.223 1.00 0.62 H new ATOM 1830 N GLU B 153 13.799 7.482 0.596 1.00 0.59 N ATOM 1831 CA GLU B 153 14.767 7.754 1.648 1.00 0.78 C ATOM 1832 C GLU B 153 16.004 8.474 1.098 1.00 1.01 C ATOM 1833 O GLU B 153 16.993 7.846 0.724 1.00 1.71 O ATOM 1834 CB GLU B 153 15.145 6.456 2.390 1.00 0.83 C ATOM 1835 CG GLU B 153 15.371 5.255 1.479 1.00 0.97 C ATOM 1836 CD GLU B 153 15.646 3.960 2.237 1.00 1.00 C ATOM 1837 OE1 GLU B 153 14.707 3.390 2.845 1.00 0.96 O ATOM 1838 OE2 GLU B 153 16.796 3.479 2.197 1.00 1.51 O ATOM 0 H GLU B 153 13.796 6.516 0.269 1.00 0.59 H new ATOM 0 HA GLU B 153 14.302 8.426 2.370 1.00 0.78 H new ATOM 0 HB2 GLU B 153 16.051 6.633 2.969 1.00 0.83 H new ATOM 0 HB3 GLU B 153 14.355 6.214 3.101 1.00 0.83 H new ATOM 0 HG2 GLU B 153 14.493 5.118 0.847 1.00 0.97 H new ATOM 0 HG3 GLU B 153 16.211 5.464 0.816 1.00 0.97 H new ATOM 1845 N GLU B 154 15.901 9.811 1.046 1.00 1.36 N ATOM 1846 CA GLU B 154 16.973 10.704 0.589 1.00 1.62 C ATOM 1847 C GLU B 154 17.173 10.619 -0.928 1.00 1.57 C ATOM 1848 O GLU B 154 16.937 9.584 -1.546 1.00 1.99 O ATOM 1849 CB GLU B 154 18.282 10.437 1.343 1.00 2.24 C ATOM 1850 CG GLU B 154 18.124 10.546 2.851 1.00 3.46 C ATOM 1851 CD GLU B 154 19.444 10.508 3.590 1.00 4.30 C ATOM 1852 OE1 GLU B 154 20.118 9.459 3.573 1.00 4.81 O ATOM 1853 OE2 GLU B 154 19.803 11.524 4.218 1.00 4.79 O ATOM 0 H GLU B 154 15.056 10.309 1.325 1.00 1.36 H new ATOM 0 HA GLU B 154 16.664 11.724 0.817 1.00 1.62 H new ATOM 0 HB2 GLU B 154 18.645 9.440 1.091 1.00 2.24 H new ATOM 0 HB3 GLU B 154 19.040 11.146 1.009 1.00 2.24 H new ATOM 0 HG2 GLU B 154 17.607 11.475 3.090 1.00 3.46 H new ATOM 0 HG3 GLU B 154 17.493 9.730 3.204 1.00 3.46 H new ATOM 1860 N GLU B 155 17.589 11.729 -1.529 1.00 2.03 N ATOM 1861 CA GLU B 155 17.670 11.810 -2.981 1.00 2.81 C ATOM 1862 C GLU B 155 19.120 11.739 -3.463 1.00 3.40 C ATOM 1863 O GLU B 155 19.552 10.727 -4.015 1.00 3.93 O ATOM 1864 CB GLU B 155 17.009 13.101 -3.478 1.00 3.72 C ATOM 1865 CG GLU B 155 16.761 13.118 -4.978 1.00 4.41 C ATOM 1866 CD GLU B 155 16.232 14.447 -5.475 1.00 5.16 C ATOM 1867 OE1 GLU B 155 15.100 14.816 -5.095 1.00 5.98 O ATOM 1868 OE2 GLU B 155 16.943 15.132 -6.239 1.00 5.21 O ATOM 0 H GLU B 155 17.873 12.577 -1.038 1.00 2.03 H new ATOM 0 HA GLU B 155 17.137 10.954 -3.395 1.00 2.81 H new ATOM 0 HB2 GLU B 155 16.060 13.237 -2.959 1.00 3.72 H new ATOM 0 HB3 GLU B 155 17.641 13.949 -3.213 1.00 3.72 H new ATOM 0 HG2 GLU B 155 17.691 12.886 -5.497 1.00 4.41 H new ATOM 0 HG3 GLU B 155 16.050 12.332 -5.232 1.00 4.41 H new ATOM 1875 N GLU B 156 19.867 12.815 -3.255 1.00 3.81 N ATOM 1876 CA GLU B 156 21.251 12.882 -3.723 1.00 4.72 C ATOM 1877 C GLU B 156 22.200 13.034 -2.544 1.00 5.16 C ATOM 1878 O GLU B 156 23.373 12.660 -2.615 1.00 5.72 O ATOM 1879 CB GLU B 156 21.428 14.060 -4.677 1.00 5.40 C ATOM 1880 CG GLU B 156 20.424 14.086 -5.817 1.00 5.97 C ATOM 1881 CD GLU B 156 20.745 15.152 -6.839 1.00 6.72 C ATOM 1882 OE1 GLU B 156 20.510 16.346 -6.556 1.00 7.06 O ATOM 1883 OE2 GLU B 156 21.256 14.799 -7.922 1.00 7.19 O ATOM 0 H GLU B 156 19.543 13.651 -2.768 1.00 3.81 H new ATOM 0 HA GLU B 156 21.482 11.956 -4.250 1.00 4.72 H new ATOM 0 HB2 GLU B 156 21.345 14.988 -4.112 1.00 5.40 H new ATOM 0 HB3 GLU B 156 22.435 14.029 -5.093 1.00 5.40 H new ATOM 0 HG2 GLU B 156 20.406 13.111 -6.305 1.00 5.97 H new ATOM 0 HG3 GLU B 156 19.426 14.260 -5.415 1.00 5.97 H new ATOM 1890 N ASP B 157 21.669 13.595 -1.474 1.00 5.28 N ATOM 1891 CA ASP B 157 22.407 13.822 -0.244 1.00 5.99 C ATOM 1892 C ASP B 157 21.470 13.631 0.927 1.00 6.62 C ATOM 1893 O ASP B 157 21.749 12.768 1.781 1.00 7.00 O ATOM 1894 CB ASP B 157 22.998 15.237 -0.201 1.00 6.41 C ATOM 1895 CG ASP B 157 24.382 15.325 -0.810 1.00 6.94 C ATOM 1896 OD1 ASP B 157 24.489 15.583 -2.028 1.00 7.22 O ATOM 1897 OD2 ASP B 157 25.374 15.170 -0.064 1.00 7.32 O ATOM 1898 OXT ASP B 157 20.428 14.323 0.957 1.00 7.00 O ATOM 0 H ASP B 157 20.700 13.910 -1.433 1.00 5.28 H new ATOM 0 HA ASP B 157 23.232 13.111 -0.195 1.00 5.99 H new ATOM 0 HB2 ASP B 157 22.331 15.918 -0.730 1.00 6.41 H new ATOM 0 HB3 ASP B 157 23.042 15.574 0.835 1.00 6.41 H new TER 1903 ASP B 157 HETATM 1904 CA CA A 141 1.016 1.920 6.960 1.00 0.67 CA