USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 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 53 TYR OH : rot 96:sc= 0.895 USER MOD Set 1.2: A 111 HIS : no HE2:sc= 0.16 K(o=1.1,f=-1.3) USER MOD Set 2.1: A 83 ASN : amide:sc= 0.452 K(o=0.45,f=-7.5!) USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 71 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.82) USER MOD Set 3.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00783) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.03) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -71:sc= -0.555! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.36 F(o=-2.6,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 2.34 (180deg=2.01) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.19) USER MOD Single : A 76 MET CE :methyl -115:sc= -0.253 (180deg=-3.94!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 58:sc= 0.292 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -135:sc=-0.00593 (180deg=-0.137) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 0.59 (180deg=0.316) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.82) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0451) USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.758) USER MOD Single : A 120 HIS :FLIP no HD1:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.366 F(o=-1.6,f=-0.37) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -111:sc= 1.16 (180deg=-0.26) USER MOD Single : A 138 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.38) USER MOD Single : B 144 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot -28:sc= 0.547 USER MOD Single : B 148 THR OG1 : rot 81:sc= 0.697 USER MOD Single : B 152 THR OG1 : rot -87:sc= 1.25 USER MOD Single : B 154 LYS NZ :NH3+ -167:sc= 0.944 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -23.676 2.812 10.226 1.00 10.47 N ATOM 2 CA GLY A 35 -23.160 1.798 9.276 1.00 10.20 C ATOM 3 C GLY A 35 -23.241 2.273 7.838 1.00 9.66 C ATOM 4 O GLY A 35 -23.119 3.471 7.572 1.00 9.43 O ATOM 0 HA2 GLY A 35 -22.124 1.564 9.523 1.00 10.20 H new ATOM 0 HA3 GLY A 35 -23.730 0.875 9.386 1.00 10.20 H new ATOM 10 N PRO A 36 -23.434 1.354 6.880 1.00 9.71 N ATOM 11 CA PRO A 36 -23.543 1.701 5.468 1.00 9.54 C ATOM 12 C PRO A 36 -24.926 2.247 5.115 1.00 8.72 C ATOM 13 O PRO A 36 -25.945 1.582 5.321 1.00 8.72 O ATOM 14 CB PRO A 36 -23.278 0.373 4.760 1.00 10.19 C ATOM 15 CG PRO A 36 -23.724 -0.676 5.722 1.00 10.45 C ATOM 16 CD PRO A 36 -23.552 -0.099 7.105 1.00 10.21 C ATOM 0 HA PRO A 36 -22.850 2.492 5.179 1.00 9.54 H new ATOM 0 HB2 PRO A 36 -23.831 0.309 3.823 1.00 10.19 H new ATOM 0 HB3 PRO A 36 -22.222 0.260 4.516 1.00 10.19 H new ATOM 0 HG2 PRO A 36 -24.764 -0.948 5.543 1.00 10.45 H new ATOM 0 HG3 PRO A 36 -23.133 -1.584 5.606 1.00 10.45 H new ATOM 0 HD2 PRO A 36 -24.403 -0.335 7.743 1.00 10.21 H new ATOM 0 HD3 PRO A 36 -22.665 -0.499 7.596 1.00 10.21 H new ATOM 24 N LEU A 37 -24.950 3.467 4.588 1.00 8.27 N ATOM 25 CA LEU A 37 -26.199 4.128 4.220 1.00 7.70 C ATOM 26 C LEU A 37 -26.793 3.488 2.967 1.00 6.80 C ATOM 27 O LEU A 37 -27.852 2.867 3.021 1.00 6.86 O ATOM 28 CB LEU A 37 -25.947 5.633 4.005 1.00 8.14 C ATOM 29 CG LEU A 37 -27.190 6.538 3.928 1.00 8.66 C ATOM 30 CD1 LEU A 37 -27.880 6.427 2.576 1.00 9.09 C ATOM 31 CD2 LEU A 37 -28.164 6.213 5.054 1.00 9.01 C ATOM 0 H LEU A 37 -24.114 4.021 4.405 1.00 8.27 H new ATOM 0 HA LEU A 37 -26.919 4.008 5.029 1.00 7.70 H new ATOM 0 HB2 LEU A 37 -25.315 5.992 4.817 1.00 8.14 H new ATOM 0 HB3 LEU A 37 -25.380 5.755 3.082 1.00 8.14 H new ATOM 0 HG LEU A 37 -26.854 7.568 4.045 1.00 8.66 H new ATOM 0 HD11 LEU A 37 -28.753 7.080 2.558 1.00 9.09 H new ATOM 0 HD12 LEU A 37 -27.188 6.725 1.789 1.00 9.09 H new ATOM 0 HD13 LEU A 37 -28.194 5.396 2.411 1.00 9.09 H new ATOM 0 HD21 LEU A 37 -29.035 6.864 4.981 1.00 9.01 H new ATOM 0 HD22 LEU A 37 -28.480 5.173 4.973 1.00 9.01 H new ATOM 0 HD23 LEU A 37 -27.674 6.369 6.015 1.00 9.01 H new ATOM 43 N GLY A 38 -26.104 3.645 1.842 1.00 6.24 N ATOM 44 CA GLY A 38 -26.591 3.090 0.595 1.00 5.56 C ATOM 45 C GLY A 38 -25.600 3.272 -0.533 1.00 5.01 C ATOM 46 O GLY A 38 -25.635 4.274 -1.246 1.00 5.18 O ATOM 0 H GLY A 38 -25.218 4.146 1.772 1.00 6.24 H new ATOM 0 HA2 GLY A 38 -26.798 2.028 0.727 1.00 5.56 H new ATOM 0 HA3 GLY A 38 -27.534 3.568 0.329 1.00 5.56 H new ATOM 50 N SER A 39 -24.708 2.309 -0.681 1.00 4.73 N ATOM 51 CA SER A 39 -23.700 2.350 -1.723 1.00 4.60 C ATOM 52 C SER A 39 -23.259 0.932 -2.047 1.00 4.02 C ATOM 53 O SER A 39 -23.352 0.048 -1.196 1.00 4.46 O ATOM 54 CB SER A 39 -22.502 3.198 -1.270 1.00 5.37 C ATOM 55 OG SER A 39 -21.541 3.339 -2.309 1.00 5.98 O ATOM 0 H SER A 39 -24.662 1.482 -0.086 1.00 4.73 H new ATOM 0 HA SER A 39 -24.120 2.808 -2.619 1.00 4.60 H new ATOM 0 HB2 SER A 39 -22.849 4.183 -0.958 1.00 5.37 H new ATOM 0 HB3 SER A 39 -22.035 2.735 -0.401 1.00 5.37 H new ATOM 0 HG SER A 39 -20.792 3.885 -1.990 1.00 5.98 H new ATOM 61 N ASP A 40 -22.820 0.705 -3.277 1.00 3.29 N ATOM 62 CA ASP A 40 -22.296 -0.601 -3.655 1.00 2.92 C ATOM 63 C ASP A 40 -20.877 -0.773 -3.138 1.00 2.66 C ATOM 64 O ASP A 40 -19.986 0.019 -3.455 1.00 2.56 O ATOM 65 CB ASP A 40 -22.326 -0.800 -5.173 1.00 2.80 C ATOM 66 CG ASP A 40 -23.721 -1.066 -5.703 1.00 3.36 C ATOM 67 OD1 ASP A 40 -24.122 -2.246 -5.760 1.00 3.92 O ATOM 68 OD2 ASP A 40 -24.419 -0.096 -6.069 1.00 3.69 O ATOM 0 H ASP A 40 -22.816 1.400 -4.024 1.00 3.29 H new ATOM 0 HA ASP A 40 -22.937 -1.357 -3.202 1.00 2.92 H new ATOM 0 HB2 ASP A 40 -21.921 0.087 -5.659 1.00 2.80 H new ATOM 0 HB3 ASP A 40 -21.676 -1.634 -5.438 1.00 2.80 H new ATOM 73 N ASP A 41 -20.683 -1.792 -2.316 1.00 2.83 N ATOM 74 CA ASP A 41 -19.361 -2.126 -1.807 1.00 2.71 C ATOM 75 C ASP A 41 -18.663 -3.066 -2.769 1.00 2.19 C ATOM 76 O ASP A 41 -19.053 -4.226 -2.922 1.00 2.35 O ATOM 77 CB ASP A 41 -19.447 -2.751 -0.410 1.00 3.35 C ATOM 78 CG ASP A 41 -19.493 -1.703 0.687 1.00 4.28 C ATOM 79 OD1 ASP A 41 -20.389 -0.839 0.651 1.00 4.57 O ATOM 80 OD2 ASP A 41 -18.658 -1.769 1.617 1.00 4.94 O ATOM 0 H ASP A 41 -21.428 -2.405 -1.985 1.00 2.83 H new ATOM 0 HA ASP A 41 -18.781 -1.207 -1.723 1.00 2.71 H new ATOM 0 HB2 ASP A 41 -20.337 -3.378 -0.349 1.00 3.35 H new ATOM 0 HB3 ASP A 41 -18.587 -3.402 -0.252 1.00 3.35 H new ATOM 85 N VAL A 42 -17.652 -2.540 -3.437 1.00 1.81 N ATOM 86 CA VAL A 42 -16.914 -3.287 -4.439 1.00 1.43 C ATOM 87 C VAL A 42 -15.948 -4.263 -3.779 1.00 1.36 C ATOM 88 O VAL A 42 -15.307 -3.936 -2.777 1.00 1.49 O ATOM 89 CB VAL A 42 -16.127 -2.337 -5.377 1.00 1.33 C ATOM 90 CG1 VAL A 42 -15.466 -3.109 -6.516 1.00 1.99 C ATOM 91 CG2 VAL A 42 -17.040 -1.243 -5.921 1.00 1.85 C ATOM 0 H VAL A 42 -17.320 -1.585 -3.300 1.00 1.81 H new ATOM 0 HA VAL A 42 -17.639 -3.844 -5.032 1.00 1.43 H new ATOM 0 HB VAL A 42 -15.337 -1.866 -4.793 1.00 1.33 H new ATOM 0 HG11 VAL A 42 -14.921 -2.416 -7.157 1.00 1.99 H new ATOM 0 HG12 VAL A 42 -14.773 -3.843 -6.104 1.00 1.99 H new ATOM 0 HG13 VAL A 42 -16.231 -3.620 -7.101 1.00 1.99 H new ATOM 0 HG21 VAL A 42 -16.469 -0.586 -6.577 1.00 1.85 H new ATOM 0 HG22 VAL A 42 -17.857 -1.697 -6.482 1.00 1.85 H new ATOM 0 HG23 VAL A 42 -17.447 -0.663 -5.092 1.00 1.85 H new ATOM 101 N GLU A 43 -15.866 -5.462 -4.340 1.00 1.39 N ATOM 102 CA GLU A 43 -14.924 -6.462 -3.868 1.00 1.41 C ATOM 103 C GLU A 43 -13.494 -5.995 -4.130 1.00 1.08 C ATOM 104 O GLU A 43 -13.153 -5.585 -5.245 1.00 1.03 O ATOM 105 CB GLU A 43 -15.194 -7.821 -4.539 1.00 1.71 C ATOM 106 CG GLU A 43 -15.236 -7.773 -6.062 1.00 1.90 C ATOM 107 CD GLU A 43 -15.680 -9.088 -6.681 1.00 1.92 C ATOM 108 OE1 GLU A 43 -14.879 -10.049 -6.707 1.00 2.40 O ATOM 109 OE2 GLU A 43 -16.836 -9.170 -7.146 1.00 1.86 O ATOM 0 H GLU A 43 -16.443 -5.764 -5.125 1.00 1.39 H new ATOM 0 HA GLU A 43 -15.054 -6.590 -2.793 1.00 1.41 H new ATOM 0 HB2 GLU A 43 -14.421 -8.525 -4.231 1.00 1.71 H new ATOM 0 HB3 GLU A 43 -16.144 -8.211 -4.173 1.00 1.71 H new ATOM 0 HG2 GLU A 43 -15.915 -6.981 -6.377 1.00 1.90 H new ATOM 0 HG3 GLU A 43 -14.247 -7.514 -6.440 1.00 1.90 H new ATOM 116 N TRP A 44 -12.671 -6.037 -3.093 1.00 0.96 N ATOM 117 CA TRP A 44 -11.316 -5.514 -3.169 1.00 0.76 C ATOM 118 C TRP A 44 -10.453 -6.425 -4.031 1.00 0.61 C ATOM 119 O TRP A 44 -10.191 -7.570 -3.667 1.00 0.62 O ATOM 120 CB TRP A 44 -10.728 -5.366 -1.761 1.00 0.89 C ATOM 121 CG TRP A 44 -9.441 -4.594 -1.711 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.131 -3.466 -2.414 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.305 -4.878 -0.889 1.00 0.59 C ATOM 124 NE1 TRP A 44 -7.863 -3.046 -2.092 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.337 -3.893 -1.154 1.00 0.53 C ATOM 126 CE3 TRP A 44 -8.011 -5.875 0.046 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.098 -3.876 -0.522 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.779 -5.855 0.674 1.00 0.77 C ATOM 129 CH2 TRP A 44 -5.838 -4.864 0.389 1.00 0.69 C ATOM 0 H TRP A 44 -12.920 -6.430 -2.185 1.00 0.96 H new ATOM 0 HA TRP A 44 -11.338 -4.528 -3.632 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.461 -4.871 -1.123 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.560 -6.359 -1.343 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.786 -2.976 -3.119 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.390 -2.234 -2.488 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.732 -6.646 0.273 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -5.368 -3.111 -0.742 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.541 -6.620 1.398 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -4.885 -4.877 0.898 1.00 0.69 H new ATOM 140 N VAL A 45 -10.023 -5.901 -5.174 1.00 0.60 N ATOM 141 CA VAL A 45 -9.278 -6.670 -6.163 1.00 0.57 C ATOM 142 C VAL A 45 -8.062 -7.352 -5.551 1.00 0.54 C ATOM 143 O VAL A 45 -7.786 -8.519 -5.820 1.00 0.67 O ATOM 144 CB VAL A 45 -8.812 -5.761 -7.316 1.00 0.67 C ATOM 145 CG1 VAL A 45 -8.108 -6.572 -8.383 1.00 1.01 C ATOM 146 CG2 VAL A 45 -9.984 -4.999 -7.914 1.00 1.33 C ATOM 0 H VAL A 45 -10.182 -4.929 -5.441 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.953 -7.437 -6.543 1.00 0.57 H new ATOM 0 HB VAL A 45 -8.106 -5.036 -6.910 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -7.786 -5.912 -9.189 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -7.238 -7.066 -7.950 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -8.792 -7.323 -8.780 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -9.629 -4.364 -8.726 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -10.718 -5.706 -8.300 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -10.446 -4.380 -7.145 1.00 1.33 H new ATOM 156 N VAL A 46 -7.354 -6.626 -4.704 1.00 0.43 N ATOM 157 CA VAL A 46 -6.109 -7.126 -4.136 1.00 0.40 C ATOM 158 C VAL A 46 -6.378 -8.023 -2.929 1.00 0.46 C ATOM 159 O VAL A 46 -5.470 -8.648 -2.386 1.00 0.53 O ATOM 160 CB VAL A 46 -5.176 -5.959 -3.733 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.791 -6.458 -3.350 1.00 0.43 C ATOM 162 CG2 VAL A 46 -5.083 -4.939 -4.854 1.00 0.41 C ATOM 0 H VAL A 46 -7.617 -5.691 -4.393 1.00 0.43 H new ATOM 0 HA VAL A 46 -5.612 -7.719 -4.904 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.609 -5.477 -2.856 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.163 -5.611 -3.073 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.871 -7.142 -2.505 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.345 -6.979 -4.197 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.423 -4.126 -4.552 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.684 -5.417 -5.749 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -6.075 -4.541 -5.067 1.00 0.41 H new ATOM 172 N GLY A 47 -7.634 -8.108 -2.523 1.00 0.51 N ATOM 173 CA GLY A 47 -7.993 -9.036 -1.472 1.00 0.59 C ATOM 174 C GLY A 47 -7.924 -10.455 -1.982 1.00 0.65 C ATOM 175 O GLY A 47 -7.872 -11.411 -1.209 1.00 0.78 O ATOM 0 H GLY A 47 -8.406 -7.557 -2.898 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.320 -8.914 -0.624 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.999 -8.819 -1.114 1.00 0.59 H new ATOM 179 N LYS A 48 -7.888 -10.569 -3.305 1.00 0.66 N ATOM 180 CA LYS A 48 -7.866 -11.848 -3.978 1.00 0.79 C ATOM 181 C LYS A 48 -6.458 -12.446 -3.985 1.00 0.73 C ATOM 182 O LYS A 48 -6.289 -13.670 -3.967 1.00 0.86 O ATOM 183 CB LYS A 48 -8.355 -11.654 -5.409 1.00 0.94 C ATOM 184 CG LYS A 48 -8.374 -12.921 -6.226 1.00 1.18 C ATOM 185 CD LYS A 48 -9.400 -13.906 -5.683 1.00 1.81 C ATOM 186 CE LYS A 48 -9.368 -15.226 -6.430 1.00 2.64 C ATOM 187 NZ LYS A 48 -9.870 -15.093 -7.820 1.00 3.22 N ATOM 0 H LYS A 48 -7.873 -9.769 -3.937 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.518 -12.541 -3.445 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -9.361 -11.234 -5.385 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -7.716 -10.923 -5.905 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -8.606 -12.685 -7.264 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -7.385 -13.379 -6.216 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -9.208 -14.083 -4.625 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -10.396 -13.471 -5.758 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -8.347 -15.607 -6.449 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -9.972 -15.959 -5.896 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -9.878 -16.027 -8.277 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -10.835 -14.706 -7.805 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -9.249 -14.452 -8.354 1.00 3.22 H new ATOM 201 N ASP A 49 -5.449 -11.587 -3.988 1.00 0.61 N ATOM 202 CA ASP A 49 -4.068 -12.042 -3.980 1.00 0.65 C ATOM 203 C ASP A 49 -3.329 -11.427 -2.801 1.00 0.53 C ATOM 204 O ASP A 49 -2.125 -11.181 -2.852 1.00 0.60 O ATOM 205 CB ASP A 49 -3.380 -11.707 -5.317 1.00 0.80 C ATOM 206 CG ASP A 49 -3.282 -10.217 -5.624 1.00 1.61 C ATOM 207 OD1 ASP A 49 -4.205 -9.452 -5.274 1.00 2.39 O ATOM 208 OD2 ASP A 49 -2.279 -9.811 -6.254 1.00 1.93 O ATOM 0 H ASP A 49 -5.561 -10.573 -3.996 1.00 0.61 H new ATOM 0 HA ASP A 49 -4.048 -13.126 -3.866 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.375 -12.130 -5.310 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -3.926 -12.196 -6.124 1.00 0.80 H new ATOM 213 N LYS A 50 -4.063 -11.262 -1.710 1.00 0.43 N ATOM 214 CA LYS A 50 -3.508 -10.739 -0.469 1.00 0.39 C ATOM 215 C LYS A 50 -2.734 -11.810 0.312 1.00 0.32 C ATOM 216 O LYS A 50 -1.664 -11.515 0.827 1.00 0.29 O ATOM 217 CB LYS A 50 -4.613 -10.158 0.419 1.00 0.50 C ATOM 218 CG LYS A 50 -4.087 -9.390 1.626 1.00 0.74 C ATOM 219 CD LYS A 50 -5.214 -8.942 2.541 1.00 0.72 C ATOM 220 CE LYS A 50 -5.664 -10.065 3.465 1.00 0.80 C ATOM 221 NZ LYS A 50 -4.716 -10.270 4.598 1.00 1.17 N ATOM 0 H LYS A 50 -5.057 -11.486 -1.659 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.810 -9.948 -0.745 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.237 -9.494 -0.180 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.253 -10.969 0.766 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.394 -10.019 2.184 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -3.525 -8.519 1.287 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -4.884 -8.090 3.136 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.058 -8.603 1.941 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -6.655 -9.836 3.858 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -5.753 -10.990 2.895 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -5.177 -10.837 5.338 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -3.869 -10.768 4.256 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -4.440 -9.347 4.991 1.00 1.17 H new ATOM 235 N PRO A 51 -3.268 -13.059 0.439 1.00 0.34 N ATOM 236 CA PRO A 51 -2.609 -14.154 1.178 1.00 0.33 C ATOM 237 C PRO A 51 -1.091 -14.230 1.004 1.00 0.29 C ATOM 238 O PRO A 51 -0.360 -14.477 1.964 1.00 0.29 O ATOM 239 CB PRO A 51 -3.254 -15.381 0.565 1.00 0.45 C ATOM 240 CG PRO A 51 -4.657 -14.961 0.330 1.00 0.65 C ATOM 241 CD PRO A 51 -4.583 -13.513 -0.083 1.00 0.44 C ATOM 0 HA PRO A 51 -2.736 -14.030 2.253 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.762 -15.670 -0.364 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.200 -16.239 1.235 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -5.123 -15.567 -0.447 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.258 -15.081 1.231 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.643 -13.403 -1.166 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.403 -12.934 0.342 1.00 0.44 H new ATOM 249 N THR A 52 -0.621 -14.013 -0.213 1.00 0.29 N ATOM 250 CA THR A 52 0.801 -14.084 -0.500 1.00 0.28 C ATOM 251 C THR A 52 1.540 -12.914 0.156 1.00 0.25 C ATOM 252 O THR A 52 2.587 -13.097 0.792 1.00 0.25 O ATOM 253 CB THR A 52 1.034 -14.077 -2.019 1.00 0.33 C ATOM 254 OG1 THR A 52 0.313 -15.163 -2.620 1.00 0.45 O ATOM 255 CG2 THR A 52 2.514 -14.191 -2.361 1.00 0.40 C ATOM 0 H THR A 52 -1.204 -13.786 -1.018 1.00 0.29 H new ATOM 0 HA THR A 52 1.193 -15.014 -0.088 1.00 0.28 H new ATOM 0 HB THR A 52 0.673 -13.126 -2.412 1.00 0.33 H new ATOM 0 HG1 THR A 52 0.460 -15.157 -3.589 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.639 -14.183 -3.444 1.00 0.40 H new ATOM 0 HG22 THR A 52 3.054 -13.349 -1.927 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.910 -15.123 -1.957 1.00 0.40 H new ATOM 263 N TYR A 53 0.966 -11.722 0.044 1.00 0.25 N ATOM 264 CA TYR A 53 1.551 -10.538 0.658 1.00 0.25 C ATOM 265 C TYR A 53 1.387 -10.624 2.169 1.00 0.22 C ATOM 266 O TYR A 53 2.123 -9.996 2.924 1.00 0.21 O ATOM 267 CB TYR A 53 0.867 -9.258 0.170 1.00 0.28 C ATOM 268 CG TYR A 53 0.623 -9.171 -1.321 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.500 -9.723 -2.246 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.490 -8.501 -1.797 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.269 -9.598 -3.607 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.734 -8.376 -3.147 1.00 0.59 C ATOM 273 CZ TYR A 53 0.144 -8.925 -4.048 1.00 0.56 C ATOM 274 OH TYR A 53 -0.091 -8.774 -5.394 1.00 0.70 O ATOM 0 H TYR A 53 0.099 -11.551 -0.465 1.00 0.25 H new ATOM 0 HA TYR A 53 2.604 -10.501 0.380 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.090 -9.162 0.682 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.476 -8.405 0.470 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.373 -10.256 -1.900 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.184 -8.066 -1.093 1.00 0.49 H new ATOM 0 HE1 TYR A 53 1.962 -10.023 -4.318 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -1.611 -7.849 -3.494 1.00 0.59 H new ATOM 0 HH TYR A 53 -0.693 -9.483 -5.702 1.00 0.70 H new ATOM 284 N ASP A 54 0.413 -11.422 2.589 1.00 0.23 N ATOM 285 CA ASP A 54 0.122 -11.630 4.001 1.00 0.24 C ATOM 286 C ASP A 54 1.233 -12.454 4.635 1.00 0.21 C ATOM 287 O ASP A 54 1.687 -12.167 5.746 1.00 0.22 O ATOM 288 CB ASP A 54 -1.231 -12.337 4.148 1.00 0.29 C ATOM 289 CG ASP A 54 -1.756 -12.342 5.567 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.429 -13.285 6.318 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.450 -11.381 5.952 1.00 0.73 O ATOM 0 H ASP A 54 -0.197 -11.943 1.960 1.00 0.23 H new ATOM 0 HA ASP A 54 0.069 -10.669 4.512 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -1.960 -11.849 3.501 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.135 -13.366 3.801 1.00 0.29 H new ATOM 296 N GLU A 55 1.689 -13.465 3.904 1.00 0.23 N ATOM 297 CA GLU A 55 2.832 -14.254 4.329 1.00 0.25 C ATOM 298 C GLU A 55 4.068 -13.368 4.405 1.00 0.24 C ATOM 299 O GLU A 55 4.820 -13.417 5.379 1.00 0.30 O ATOM 300 CB GLU A 55 3.076 -15.424 3.375 1.00 0.32 C ATOM 301 CG GLU A 55 4.279 -16.273 3.762 1.00 0.41 C ATOM 302 CD GLU A 55 4.484 -17.462 2.850 1.00 1.13 C ATOM 303 OE1 GLU A 55 5.102 -17.298 1.780 1.00 1.86 O ATOM 304 OE2 GLU A 55 4.031 -18.569 3.205 1.00 1.66 O ATOM 0 H GLU A 55 1.282 -13.755 3.015 1.00 0.23 H new ATOM 0 HA GLU A 55 2.622 -14.664 5.317 1.00 0.25 H new ATOM 0 HB2 GLU A 55 2.187 -16.055 3.349 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.222 -15.038 2.366 1.00 0.32 H new ATOM 0 HG2 GLU A 55 5.175 -15.652 3.746 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.153 -16.625 4.786 1.00 0.41 H new ATOM 311 N ILE A 56 4.267 -12.545 3.379 1.00 0.22 N ATOM 312 CA ILE A 56 5.374 -11.593 3.368 1.00 0.24 C ATOM 313 C ILE A 56 5.279 -10.648 4.569 1.00 0.24 C ATOM 314 O ILE A 56 6.266 -10.399 5.259 1.00 0.27 O ATOM 315 CB ILE A 56 5.401 -10.778 2.057 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.471 -11.720 0.846 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.587 -9.824 2.062 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.422 -11.012 -0.491 1.00 0.32 C ATOM 0 H ILE A 56 3.678 -12.518 2.547 1.00 0.22 H new ATOM 0 HA ILE A 56 6.301 -12.162 3.434 1.00 0.24 H new ATOM 0 HB ILE A 56 4.484 -10.194 1.984 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.391 -12.301 0.904 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.644 -12.427 0.901 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.599 -9.253 1.134 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.501 -9.141 2.907 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.512 -10.394 2.149 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.476 -11.747 -1.294 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.490 -10.453 -0.573 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.265 -10.325 -0.570 1.00 0.32 H new ATOM 330 N PHE A 57 4.068 -10.177 4.831 1.00 0.22 N ATOM 331 CA PHE A 57 3.781 -9.296 5.960 1.00 0.23 C ATOM 332 C PHE A 57 4.258 -9.915 7.273 1.00 0.26 C ATOM 333 O PHE A 57 4.790 -9.228 8.143 1.00 0.29 O ATOM 334 CB PHE A 57 2.272 -9.033 6.009 1.00 0.23 C ATOM 335 CG PHE A 57 1.852 -7.945 6.951 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.894 -6.618 6.563 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.429 -8.250 8.233 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.524 -5.613 7.435 1.00 0.30 C ATOM 339 CE2 PHE A 57 1.053 -7.251 9.110 1.00 0.39 C ATOM 340 CZ PHE A 57 1.047 -5.928 8.681 1.00 0.34 C ATOM 0 H PHE A 57 3.249 -10.396 4.263 1.00 0.22 H new ATOM 0 HA PHE A 57 4.316 -8.356 5.827 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.929 -8.778 5.006 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.766 -9.956 6.294 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.220 -6.365 5.565 1.00 0.27 H new ATOM 0 HD2 PHE A 57 1.392 -9.281 8.552 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.610 -4.579 7.135 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.766 -7.496 10.122 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.668 -5.151 9.328 1.00 0.34 H new ATOM 350 N TYR A 58 4.092 -11.224 7.404 1.00 0.33 N ATOM 351 CA TYR A 58 4.454 -11.912 8.639 1.00 0.40 C ATOM 352 C TYR A 58 5.818 -12.592 8.565 1.00 0.44 C ATOM 353 O TYR A 58 6.203 -13.320 9.480 1.00 0.62 O ATOM 354 CB TYR A 58 3.379 -12.935 9.018 1.00 0.46 C ATOM 355 CG TYR A 58 2.147 -12.317 9.644 1.00 0.53 C ATOM 356 CD1 TYR A 58 1.163 -11.745 8.850 1.00 0.60 C ATOM 357 CD2 TYR A 58 1.964 -12.308 11.021 1.00 0.77 C ATOM 358 CE1 TYR A 58 0.032 -11.184 9.409 1.00 0.71 C ATOM 359 CE2 TYR A 58 0.834 -11.748 11.587 1.00 0.87 C ATOM 360 CZ TYR A 58 -0.107 -11.177 10.810 1.00 0.78 C ATOM 361 OH TYR A 58 -1.257 -10.634 11.335 1.00 0.91 O ATOM 0 H TYR A 58 3.712 -11.829 6.676 1.00 0.33 H new ATOM 0 HA TYR A 58 4.521 -11.146 9.411 1.00 0.40 H new ATOM 0 HB2 TYR A 58 3.085 -13.487 8.126 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.806 -13.657 9.714 1.00 0.46 H new ATOM 0 HD1 TYR A 58 1.284 -11.739 7.777 1.00 0.60 H new ATOM 0 HD2 TYR A 58 2.717 -12.746 11.660 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -0.735 -10.757 8.780 1.00 0.71 H new ATOM 0 HE2 TYR A 58 0.705 -11.768 12.659 1.00 0.87 H new ATOM 0 HH TYR A 58 -1.229 -10.692 12.313 1.00 0.91 H new ATOM 371 N THR A 59 6.557 -12.353 7.497 1.00 0.40 N ATOM 372 CA THR A 59 7.913 -12.872 7.398 1.00 0.45 C ATOM 373 C THR A 59 8.935 -11.747 7.498 1.00 0.48 C ATOM 374 O THR A 59 10.141 -11.992 7.513 1.00 0.56 O ATOM 375 CB THR A 59 8.138 -13.663 6.095 1.00 0.49 C ATOM 376 OG1 THR A 59 7.470 -13.022 5.005 1.00 0.48 O ATOM 377 CG2 THR A 59 7.644 -15.096 6.234 1.00 0.58 C ATOM 0 H THR A 59 6.247 -11.809 6.692 1.00 0.40 H new ATOM 0 HA THR A 59 8.048 -13.556 8.236 1.00 0.45 H new ATOM 0 HB THR A 59 9.209 -13.686 5.895 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.501 -13.128 5.107 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.815 -15.632 5.300 1.00 0.58 H new ATOM 0 HG22 THR A 59 8.185 -15.591 7.041 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.578 -15.093 6.461 1.00 0.58 H new ATOM 385 N LEU A 60 8.449 -10.514 7.591 1.00 0.48 N ATOM 386 CA LEU A 60 9.339 -9.364 7.681 1.00 0.56 C ATOM 387 C LEU A 60 9.145 -8.614 8.993 1.00 0.61 C ATOM 388 O LEU A 60 9.573 -7.471 9.130 1.00 0.71 O ATOM 389 CB LEU A 60 9.180 -8.456 6.455 1.00 0.64 C ATOM 390 CG LEU A 60 7.768 -7.985 6.122 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.342 -6.892 7.068 1.00 0.86 C ATOM 392 CD2 LEU A 60 7.709 -7.503 4.684 1.00 1.17 C ATOM 0 H LEU A 60 7.455 -10.287 7.606 1.00 0.48 H new ATOM 0 HA LEU A 60 10.368 -9.724 7.681 1.00 0.56 H new ATOM 0 HB2 LEU A 60 9.805 -7.575 6.602 1.00 0.64 H new ATOM 0 HB3 LEU A 60 9.574 -8.986 5.588 1.00 0.64 H new ATOM 0 HG LEU A 60 7.079 -8.822 6.238 1.00 0.42 H new ATOM 0 HD11 LEU A 60 6.332 -6.567 6.817 1.00 0.86 H new ATOM 0 HD12 LEU A 60 7.358 -7.269 8.091 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.027 -6.048 6.981 1.00 0.86 H new ATOM 0 HD21 LEU A 60 6.698 -7.168 4.454 1.00 1.17 H new ATOM 0 HD22 LEU A 60 8.405 -6.675 4.549 1.00 1.17 H new ATOM 0 HD23 LEU A 60 7.982 -8.319 4.015 1.00 1.17 H new ATOM 404 N SER A 61 8.532 -9.308 9.956 1.00 0.59 N ATOM 405 CA SER A 61 8.312 -8.795 11.311 1.00 0.66 C ATOM 406 C SER A 61 7.188 -7.757 11.354 1.00 0.70 C ATOM 407 O SER A 61 7.414 -6.563 11.148 1.00 0.78 O ATOM 408 CB SER A 61 9.597 -8.213 11.906 1.00 0.74 C ATOM 409 OG SER A 61 10.653 -9.160 11.857 1.00 1.14 O ATOM 0 H SER A 61 8.171 -10.251 9.815 1.00 0.59 H new ATOM 0 HA SER A 61 8.006 -9.645 11.921 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.882 -7.316 11.357 1.00 0.74 H new ATOM 0 HB3 SER A 61 9.421 -7.912 12.939 1.00 0.74 H new ATOM 0 HG SER A 61 11.464 -8.766 12.241 1.00 1.14 H new ATOM 415 N PRO A 62 5.952 -8.217 11.588 1.00 0.67 N ATOM 416 CA PRO A 62 4.807 -7.344 11.777 1.00 0.71 C ATOM 417 C PRO A 62 4.566 -7.029 13.251 1.00 0.83 C ATOM 418 O PRO A 62 4.442 -7.931 14.077 1.00 1.10 O ATOM 419 CB PRO A 62 3.669 -8.187 11.203 1.00 0.72 C ATOM 420 CG PRO A 62 4.054 -9.603 11.499 1.00 0.68 C ATOM 421 CD PRO A 62 5.560 -9.637 11.645 1.00 0.65 C ATOM 0 HA PRO A 62 4.925 -6.369 11.303 1.00 0.71 H new ATOM 0 HB2 PRO A 62 2.716 -7.932 11.665 1.00 0.72 H new ATOM 0 HB3 PRO A 62 3.557 -8.023 10.131 1.00 0.72 H new ATOM 0 HG2 PRO A 62 3.571 -9.950 12.413 1.00 0.68 H new ATOM 0 HG3 PRO A 62 3.730 -10.265 10.696 1.00 0.68 H new ATOM 0 HD2 PRO A 62 5.860 -10.097 12.586 1.00 0.65 H new ATOM 0 HD3 PRO A 62 6.026 -10.213 10.846 1.00 0.65 H new ATOM 429 N VAL A 63 4.508 -5.753 13.590 1.00 0.70 N ATOM 430 CA VAL A 63 4.293 -5.356 14.970 1.00 0.79 C ATOM 431 C VAL A 63 2.800 -5.241 15.244 1.00 0.78 C ATOM 432 O VAL A 63 2.136 -4.385 14.668 1.00 0.72 O ATOM 433 CB VAL A 63 4.970 -4.008 15.287 1.00 0.83 C ATOM 434 CG1 VAL A 63 5.012 -3.754 16.786 1.00 1.60 C ATOM 435 CG2 VAL A 63 6.369 -3.954 14.696 1.00 1.66 C ATOM 0 H VAL A 63 4.606 -4.979 12.933 1.00 0.70 H new ATOM 0 HA VAL A 63 4.737 -6.120 15.608 1.00 0.79 H new ATOM 0 HB VAL A 63 4.373 -3.220 14.828 1.00 0.83 H new ATOM 0 HG11 VAL A 63 5.495 -2.796 16.979 1.00 1.60 H new ATOM 0 HG12 VAL A 63 3.996 -3.734 17.180 1.00 1.60 H new ATOM 0 HG13 VAL A 63 5.575 -4.549 17.274 1.00 1.60 H new ATOM 0 HG21 VAL A 63 6.827 -2.994 14.932 1.00 1.66 H new ATOM 0 HG22 VAL A 63 6.973 -4.758 15.117 1.00 1.66 H new ATOM 0 HG23 VAL A 63 6.312 -4.072 13.614 1.00 1.66 H new ATOM 445 N ASN A 64 2.289 -6.134 16.093 1.00 0.92 N ATOM 446 CA ASN A 64 0.861 -6.197 16.468 1.00 1.00 C ATOM 447 C ASN A 64 -0.080 -6.154 15.257 1.00 0.91 C ATOM 448 O ASN A 64 -1.244 -5.765 15.373 1.00 0.97 O ATOM 449 CB ASN A 64 0.475 -5.110 17.495 1.00 1.05 C ATOM 450 CG ASN A 64 0.681 -3.682 17.017 1.00 1.25 C ATOM 451 OD1 ASN A 64 1.756 -3.057 17.471 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 -0.142 -3.129 16.291 1.00 1.61 N flip ATOM 0 H ASN A 64 2.857 -6.847 16.550 1.00 0.92 H new ATOM 0 HA ASN A 64 0.732 -7.170 16.943 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.573 -5.241 17.765 1.00 1.05 H new ATOM 0 HB3 ASN A 64 1.059 -5.263 18.402 1.00 1.05 H new ATOM 0 HD21 ASN A 64 -0.958 -3.644 15.961 1.00 1.61 H new ATOM 0 HD22 ASN A 64 -0.009 -2.155 16.018 1.00 1.61 H new ATOM 459 N GLY A 65 0.410 -6.614 14.110 1.00 0.83 N ATOM 460 CA GLY A 65 -0.420 -6.688 12.920 1.00 0.78 C ATOM 461 C GLY A 65 -0.305 -5.462 12.028 1.00 0.59 C ATOM 462 O GLY A 65 -1.101 -5.285 11.106 1.00 0.59 O ATOM 0 H GLY A 65 1.369 -6.938 13.983 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -0.143 -7.573 12.347 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -1.461 -6.815 13.219 1.00 0.78 H new ATOM 466 N LYS A 66 0.675 -4.615 12.305 1.00 0.51 N ATOM 467 CA LYS A 66 0.953 -3.458 11.461 1.00 0.40 C ATOM 468 C LYS A 66 2.468 -3.281 11.345 1.00 0.36 C ATOM 469 O LYS A 66 3.171 -3.236 12.354 1.00 0.55 O ATOM 470 CB LYS A 66 0.305 -2.199 12.061 1.00 0.52 C ATOM 471 CG LYS A 66 0.150 -1.049 11.080 1.00 0.70 C ATOM 472 CD LYS A 66 -0.148 0.259 11.807 1.00 0.74 C ATOM 473 CE LYS A 66 -1.628 0.450 12.122 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.326 1.245 11.070 1.00 0.97 N ATOM 0 H LYS A 66 1.294 -4.706 13.110 1.00 0.51 H new ATOM 0 HA LYS A 66 0.532 -3.615 10.468 1.00 0.40 H new ATOM 0 HB2 LYS A 66 -0.677 -2.462 12.453 1.00 0.52 H new ATOM 0 HB3 LYS A 66 0.906 -1.862 12.906 1.00 0.52 H new ATOM 0 HG2 LYS A 66 1.062 -0.942 10.493 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -0.655 -1.271 10.380 1.00 0.70 H new ATOM 0 HD2 LYS A 66 0.421 0.288 12.736 1.00 0.74 H new ATOM 0 HD3 LYS A 66 0.197 1.093 11.196 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -2.107 -0.525 12.217 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -1.732 0.952 13.084 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.339 1.308 11.297 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.920 2.202 11.031 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.207 0.780 10.147 1.00 0.97 H new ATOM 488 N ILE A 67 2.987 -3.208 10.129 1.00 0.30 N ATOM 489 CA ILE A 67 4.427 -3.105 9.955 1.00 0.29 C ATOM 490 C ILE A 67 4.856 -1.659 9.787 1.00 0.28 C ATOM 491 O ILE A 67 4.169 -0.862 9.144 1.00 0.37 O ATOM 492 CB ILE A 67 4.956 -3.931 8.762 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.311 -3.490 7.445 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.727 -5.414 9.001 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.857 -4.220 6.238 1.00 0.31 C ATOM 0 H ILE A 67 2.446 -3.218 9.265 1.00 0.30 H new ATOM 0 HA ILE A 67 4.862 -3.519 10.865 1.00 0.29 H new ATOM 0 HB ILE A 67 6.028 -3.751 8.680 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.235 -3.653 7.503 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.465 -2.419 7.314 1.00 0.29 H new ATOM 0 HG21 ILE A 67 5.105 -5.982 8.151 1.00 0.32 H new ATOM 0 HG22 ILE A 67 5.251 -5.722 9.906 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.660 -5.603 9.118 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.358 -3.860 5.338 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.928 -4.037 6.156 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.679 -5.290 6.348 1.00 0.31 H new ATOM 507 N THR A 68 5.990 -1.325 10.378 1.00 0.28 N ATOM 508 CA THR A 68 6.531 0.015 10.277 1.00 0.26 C ATOM 509 C THR A 68 7.248 0.209 8.946 1.00 0.25 C ATOM 510 O THR A 68 7.655 -0.765 8.295 1.00 0.31 O ATOM 511 CB THR A 68 7.490 0.322 11.453 1.00 0.31 C ATOM 512 OG1 THR A 68 8.135 1.585 11.270 1.00 1.31 O ATOM 513 CG2 THR A 68 8.541 -0.764 11.602 1.00 1.12 C ATOM 0 H THR A 68 6.554 -1.967 10.934 1.00 0.28 H new ATOM 0 HA THR A 68 5.696 0.714 10.328 1.00 0.26 H new ATOM 0 HB THR A 68 6.888 0.357 12.361 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.734 1.759 12.026 1.00 1.31 H new ATOM 0 HG21 THR A 68 9.200 -0.521 12.436 1.00 1.12 H new ATOM 0 HG22 THR A 68 8.052 -1.720 11.792 1.00 1.12 H new ATOM 0 HG23 THR A 68 9.126 -0.832 10.685 1.00 1.12 H new ATOM 521 N GLY A 69 7.389 1.469 8.551 1.00 0.24 N ATOM 522 CA GLY A 69 8.074 1.817 7.318 1.00 0.26 C ATOM 523 C GLY A 69 9.472 1.231 7.218 1.00 0.25 C ATOM 524 O GLY A 69 9.997 1.067 6.122 1.00 0.33 O ATOM 0 H GLY A 69 7.034 2.270 9.073 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.481 1.470 6.472 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.137 2.902 7.240 1.00 0.26 H new ATOM 528 N ALA A 70 10.069 0.915 8.363 1.00 0.23 N ATOM 529 CA ALA A 70 11.392 0.300 8.406 1.00 0.24 C ATOM 530 C ALA A 70 11.399 -1.042 7.676 1.00 0.22 C ATOM 531 O ALA A 70 12.169 -1.247 6.735 1.00 0.25 O ATOM 532 CB ALA A 70 11.840 0.126 9.848 1.00 0.27 C ATOM 0 H ALA A 70 9.654 1.076 9.281 1.00 0.23 H new ATOM 0 HA ALA A 70 12.093 0.960 7.896 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.828 -0.334 9.869 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.882 1.100 10.336 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.131 -0.513 10.375 1.00 0.27 H new ATOM 538 N ASN A 71 10.516 -1.942 8.089 1.00 0.29 N ATOM 539 CA ASN A 71 10.477 -3.286 7.515 1.00 0.32 C ATOM 540 C ASN A 71 9.785 -3.271 6.166 1.00 0.24 C ATOM 541 O ASN A 71 10.090 -4.084 5.291 1.00 0.20 O ATOM 542 CB ASN A 71 9.777 -4.260 8.460 1.00 0.48 C ATOM 543 CG ASN A 71 10.508 -4.392 9.781 1.00 0.69 C ATOM 544 OD1 ASN A 71 11.403 -5.222 9.930 1.00 1.79 O ATOM 545 ND2 ASN A 71 10.125 -3.576 10.748 1.00 0.71 N ATOM 0 H ASN A 71 9.820 -1.770 8.815 1.00 0.29 H new ATOM 0 HA ASN A 71 11.504 -3.623 7.374 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.758 -3.920 8.642 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.706 -5.239 7.985 1.00 0.48 H new ATOM 0 HD21 ASN A 71 10.577 -3.620 11.661 1.00 0.71 H new ATOM 0 HD22 ASN A 71 9.378 -2.902 10.581 1.00 0.71 H new ATOM 552 N ALA A 72 8.863 -2.330 5.997 1.00 0.26 N ATOM 553 CA ALA A 72 8.190 -2.143 4.720 1.00 0.26 C ATOM 554 C ALA A 72 9.199 -1.745 3.650 1.00 0.20 C ATOM 555 O ALA A 72 9.291 -2.391 2.608 1.00 0.21 O ATOM 556 CB ALA A 72 7.090 -1.097 4.838 1.00 0.32 C ATOM 0 H ALA A 72 8.565 -1.685 6.729 1.00 0.26 H new ATOM 0 HA ALA A 72 7.727 -3.086 4.429 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.600 -0.973 3.872 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.358 -1.421 5.577 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.524 -0.147 5.149 1.00 0.32 H new ATOM 562 N LYS A 73 9.981 -0.703 3.927 1.00 0.19 N ATOM 563 CA LYS A 73 11.017 -0.261 3.001 1.00 0.17 C ATOM 564 C LYS A 73 12.047 -1.361 2.792 1.00 0.18 C ATOM 565 O LYS A 73 12.580 -1.515 1.701 1.00 0.20 O ATOM 566 CB LYS A 73 11.711 1.002 3.520 1.00 0.19 C ATOM 567 CG LYS A 73 12.870 1.458 2.651 1.00 0.31 C ATOM 568 CD LYS A 73 13.577 2.671 3.232 1.00 0.58 C ATOM 569 CE LYS A 73 14.731 3.114 2.343 1.00 0.91 C ATOM 570 NZ LYS A 73 15.434 4.311 2.882 1.00 1.36 N ATOM 0 H LYS A 73 9.916 -0.152 4.783 1.00 0.19 H new ATOM 0 HA LYS A 73 10.539 -0.031 2.049 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.979 1.807 3.587 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.076 0.817 4.530 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.583 0.641 2.541 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.502 1.697 1.653 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.866 3.490 3.345 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.952 2.434 4.228 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.442 2.294 2.239 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.353 3.336 1.345 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 16.221 4.564 2.252 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 14.768 5.108 2.941 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.804 4.098 3.830 1.00 1.36 H new ATOM 584 N LYS A 74 12.325 -2.118 3.847 1.00 0.20 N ATOM 585 CA LYS A 74 13.224 -3.265 3.754 1.00 0.23 C ATOM 586 C LYS A 74 12.760 -4.221 2.650 1.00 0.20 C ATOM 587 O LYS A 74 13.552 -4.660 1.807 1.00 0.22 O ATOM 588 CB LYS A 74 13.300 -3.976 5.111 1.00 0.31 C ATOM 589 CG LYS A 74 14.104 -5.266 5.108 1.00 1.15 C ATOM 590 CD LYS A 74 14.558 -5.641 6.514 1.00 1.35 C ATOM 591 CE LYS A 74 13.388 -5.827 7.476 1.00 1.67 C ATOM 592 NZ LYS A 74 12.630 -7.084 7.216 1.00 2.48 N ATOM 0 H LYS A 74 11.941 -1.959 4.778 1.00 0.20 H new ATOM 0 HA LYS A 74 14.223 -2.918 3.492 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.737 -3.293 5.840 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.287 -4.196 5.448 1.00 0.31 H new ATOM 0 HG2 LYS A 74 13.500 -6.072 4.692 1.00 1.15 H new ATOM 0 HG3 LYS A 74 14.974 -5.153 4.461 1.00 1.15 H new ATOM 0 HD2 LYS A 74 15.139 -6.562 6.471 1.00 1.35 H new ATOM 0 HD3 LYS A 74 15.220 -4.865 6.898 1.00 1.35 H new ATOM 0 HE2 LYS A 74 13.762 -5.837 8.500 1.00 1.67 H new ATOM 0 HE3 LYS A 74 12.713 -4.975 7.391 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 11.846 -7.164 7.895 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 12.249 -7.066 6.248 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 13.265 -7.901 7.323 1.00 2.48 H new ATOM 606 N GLU A 75 11.470 -4.509 2.634 1.00 0.21 N ATOM 607 CA GLU A 75 10.896 -5.366 1.610 1.00 0.22 C ATOM 608 C GLU A 75 10.953 -4.672 0.245 1.00 0.20 C ATOM 609 O GLU A 75 11.306 -5.278 -0.770 1.00 0.24 O ATOM 610 CB GLU A 75 9.453 -5.724 1.987 1.00 0.29 C ATOM 611 CG GLU A 75 8.845 -6.801 1.110 1.00 0.33 C ATOM 612 CD GLU A 75 9.733 -8.024 1.005 1.00 1.30 C ATOM 613 OE1 GLU A 75 9.960 -8.688 2.036 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.208 -8.328 -0.114 1.00 1.35 O ATOM 0 H GLU A 75 10.799 -4.162 3.319 1.00 0.21 H new ATOM 0 HA GLU A 75 11.475 -6.287 1.542 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.429 -6.056 3.025 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.837 -4.827 1.926 1.00 0.29 H new ATOM 0 HG2 GLU A 75 7.876 -7.092 1.515 1.00 0.33 H new ATOM 0 HG3 GLU A 75 8.666 -6.397 0.113 1.00 0.33 H new ATOM 621 N MET A 76 10.653 -3.381 0.239 1.00 0.19 N ATOM 622 CA MET A 76 10.623 -2.610 -0.996 1.00 0.20 C ATOM 623 C MET A 76 12.023 -2.451 -1.610 1.00 0.22 C ATOM 624 O MET A 76 12.156 -2.328 -2.829 1.00 0.29 O ATOM 625 CB MET A 76 9.985 -1.244 -0.739 1.00 0.22 C ATOM 626 CG MET A 76 8.612 -1.346 -0.096 1.00 0.24 C ATOM 627 SD MET A 76 7.759 0.238 0.036 1.00 0.39 S ATOM 628 CE MET A 76 7.444 0.607 -1.686 1.00 0.51 C ATOM 0 H MET A 76 10.427 -2.845 1.077 1.00 0.19 H new ATOM 0 HA MET A 76 10.020 -3.158 -1.720 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.640 -0.658 -0.095 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.900 -0.705 -1.682 1.00 0.22 H new ATOM 0 HG2 MET A 76 7.997 -2.033 -0.678 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.717 -1.777 0.900 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.002 1.497 -1.975 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.759 -0.235 -2.302 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.378 0.784 -1.831 1.00 0.51 H new ATOM 638 N VAL A 77 13.070 -2.463 -0.786 1.00 0.20 N ATOM 639 CA VAL A 77 14.431 -2.395 -1.311 1.00 0.26 C ATOM 640 C VAL A 77 14.915 -3.777 -1.728 1.00 0.27 C ATOM 641 O VAL A 77 15.904 -3.905 -2.452 1.00 0.32 O ATOM 642 CB VAL A 77 15.443 -1.761 -0.330 1.00 0.37 C ATOM 643 CG1 VAL A 77 15.042 -0.331 -0.004 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.584 -2.582 0.942 1.00 0.96 C ATOM 0 H VAL A 77 13.004 -2.518 0.230 1.00 0.20 H new ATOM 0 HA VAL A 77 14.382 -1.739 -2.180 1.00 0.26 H new ATOM 0 HB VAL A 77 16.416 -1.750 -0.821 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.765 0.101 0.688 1.00 1.34 H new ATOM 0 HG12 VAL A 77 15.020 0.259 -0.921 1.00 1.34 H new ATOM 0 HG13 VAL A 77 14.053 -0.326 0.455 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.304 -2.104 1.606 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.618 -2.648 1.442 1.00 0.96 H new ATOM 0 HG23 VAL A 77 15.932 -3.584 0.691 1.00 0.96 H new ATOM 654 N LYS A 78 14.219 -4.811 -1.262 1.00 0.27 N ATOM 655 CA LYS A 78 14.425 -6.156 -1.789 1.00 0.32 C ATOM 656 C LYS A 78 13.765 -6.276 -3.161 1.00 0.32 C ATOM 657 O LYS A 78 14.136 -7.119 -3.976 1.00 0.40 O ATOM 658 CB LYS A 78 13.858 -7.216 -0.844 1.00 0.43 C ATOM 659 CG LYS A 78 14.589 -7.318 0.481 1.00 0.59 C ATOM 660 CD LYS A 78 13.967 -8.390 1.354 1.00 0.83 C ATOM 661 CE LYS A 78 14.657 -8.498 2.704 1.00 1.36 C ATOM 662 NZ LYS A 78 14.050 -9.560 3.552 1.00 2.20 N ATOM 0 H LYS A 78 13.514 -4.744 -0.528 1.00 0.27 H new ATOM 0 HA LYS A 78 15.498 -6.326 -1.881 1.00 0.32 H new ATOM 0 HB2 LYS A 78 12.809 -6.992 -0.652 1.00 0.43 H new ATOM 0 HB3 LYS A 78 13.891 -8.186 -1.341 1.00 0.43 H new ATOM 0 HG2 LYS A 78 15.640 -7.549 0.306 1.00 0.59 H new ATOM 0 HG3 LYS A 78 14.555 -6.358 0.996 1.00 0.59 H new ATOM 0 HD2 LYS A 78 12.911 -8.167 1.504 1.00 0.83 H new ATOM 0 HD3 LYS A 78 14.021 -9.351 0.842 1.00 0.83 H new ATOM 0 HE2 LYS A 78 15.715 -8.712 2.555 1.00 1.36 H new ATOM 0 HE3 LYS A 78 14.595 -7.541 3.221 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 14.548 -9.603 4.464 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 13.046 -9.342 3.715 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 14.131 -10.478 3.070 1.00 2.20 H new ATOM 676 N SER A 79 12.790 -5.406 -3.410 1.00 0.29 N ATOM 677 CA SER A 79 12.088 -5.376 -4.688 1.00 0.33 C ATOM 678 C SER A 79 12.965 -4.774 -5.792 1.00 0.33 C ATOM 679 O SER A 79 12.630 -4.858 -6.974 1.00 0.42 O ATOM 680 CB SER A 79 10.793 -4.575 -4.550 1.00 0.37 C ATOM 681 OG SER A 79 10.013 -5.054 -3.466 1.00 0.91 O ATOM 0 H SER A 79 12.467 -4.709 -2.739 1.00 0.29 H new ATOM 0 HA SER A 79 11.852 -6.402 -4.970 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.027 -3.522 -4.397 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.219 -4.643 -5.474 1.00 0.37 H new ATOM 0 HG SER A 79 10.535 -5.001 -2.639 1.00 0.91 H new ATOM 687 N LYS A 80 14.084 -4.161 -5.388 1.00 0.31 N ATOM 688 CA LYS A 80 15.058 -3.586 -6.322 1.00 0.35 C ATOM 689 C LYS A 80 14.457 -2.434 -7.127 1.00 0.31 C ATOM 690 O LYS A 80 14.769 -2.265 -8.305 1.00 0.38 O ATOM 691 CB LYS A 80 15.592 -4.657 -7.282 1.00 0.47 C ATOM 692 CG LYS A 80 16.377 -5.759 -6.600 1.00 0.63 C ATOM 693 CD LYS A 80 16.726 -6.870 -7.576 1.00 1.03 C ATOM 694 CE LYS A 80 17.624 -6.376 -8.701 1.00 1.56 C ATOM 695 NZ LYS A 80 17.899 -7.443 -9.699 1.00 2.37 N ATOM 0 H LYS A 80 14.339 -4.050 -4.407 1.00 0.31 H new ATOM 0 HA LYS A 80 15.881 -3.196 -5.724 1.00 0.35 H new ATOM 0 HB2 LYS A 80 14.753 -5.101 -7.818 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.229 -4.178 -8.026 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.291 -5.347 -6.172 1.00 0.63 H new ATOM 0 HG3 LYS A 80 15.794 -6.167 -5.774 1.00 0.63 H new ATOM 0 HD2 LYS A 80 17.225 -7.679 -7.042 1.00 1.03 H new ATOM 0 HD3 LYS A 80 15.810 -7.284 -7.998 1.00 1.03 H new ATOM 0 HE2 LYS A 80 17.152 -5.528 -9.197 1.00 1.56 H new ATOM 0 HE3 LYS A 80 18.565 -6.018 -8.284 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 18.514 -7.067 -10.449 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 18.373 -8.242 -9.231 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 17.003 -7.767 -10.116 1.00 2.37 H new ATOM 709 N LEU A 81 13.610 -1.633 -6.497 1.00 0.30 N ATOM 710 CA LEU A 81 13.014 -0.493 -7.178 1.00 0.32 C ATOM 711 C LEU A 81 13.641 0.812 -6.695 1.00 0.33 C ATOM 712 O LEU A 81 14.135 0.889 -5.570 1.00 0.35 O ATOM 713 CB LEU A 81 11.497 -0.457 -6.966 1.00 0.35 C ATOM 714 CG LEU A 81 10.735 -1.698 -7.441 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.248 -1.545 -7.168 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.976 -1.937 -8.925 1.00 0.87 C ATOM 0 H LEU A 81 13.322 -1.749 -5.525 1.00 0.30 H new ATOM 0 HA LEU A 81 13.210 -0.603 -8.245 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.299 -0.315 -5.903 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.096 0.414 -7.484 1.00 0.35 H new ATOM 0 HG LEU A 81 11.104 -2.560 -6.886 1.00 0.47 H new ATOM 0 HD11 LEU A 81 8.721 -2.435 -7.512 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.086 -1.418 -6.098 1.00 1.35 H new ATOM 0 HD13 LEU A 81 8.869 -0.672 -7.699 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.427 -2.823 -9.245 1.00 0.87 H new ATOM 0 HD22 LEU A 81 10.633 -1.072 -9.493 1.00 0.87 H new ATOM 0 HD23 LEU A 81 12.041 -2.087 -9.101 1.00 0.87 H new ATOM 728 N PRO A 82 13.633 1.847 -7.552 1.00 0.34 N ATOM 729 CA PRO A 82 14.172 3.172 -7.217 1.00 0.38 C ATOM 730 C PRO A 82 13.348 3.888 -6.149 1.00 0.35 C ATOM 731 O PRO A 82 12.137 3.667 -6.032 1.00 0.35 O ATOM 732 CB PRO A 82 14.088 3.933 -8.542 1.00 0.41 C ATOM 733 CG PRO A 82 13.010 3.247 -9.304 1.00 0.44 C ATOM 734 CD PRO A 82 13.100 1.802 -8.925 1.00 0.36 C ATOM 0 HA PRO A 82 15.178 3.105 -6.804 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.851 4.985 -8.380 1.00 0.41 H new ATOM 0 HB3 PRO A 82 15.036 3.899 -9.079 1.00 0.41 H new ATOM 0 HG2 PRO A 82 12.032 3.657 -9.053 1.00 0.44 H new ATOM 0 HG3 PRO A 82 13.145 3.379 -10.378 1.00 0.44 H new ATOM 0 HD2 PRO A 82 12.126 1.314 -8.963 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.759 1.250 -9.595 1.00 0.36 H new ATOM 742 N ASN A 83 14.009 4.766 -5.397 1.00 0.35 N ATOM 743 CA ASN A 83 13.368 5.504 -4.305 1.00 0.37 C ATOM 744 C ASN A 83 12.165 6.310 -4.790 1.00 0.33 C ATOM 745 O ASN A 83 11.176 6.448 -4.075 1.00 0.34 O ATOM 746 CB ASN A 83 14.376 6.428 -3.596 1.00 0.47 C ATOM 747 CG ASN A 83 15.254 7.238 -4.545 1.00 1.11 C ATOM 748 OD1 ASN A 83 14.871 7.533 -5.679 1.00 1.94 O ATOM 749 ND2 ASN A 83 16.445 7.597 -4.089 1.00 1.73 N ATOM 0 H ASN A 83 14.997 4.986 -5.524 1.00 0.35 H new ATOM 0 HA ASN A 83 13.007 4.764 -3.591 1.00 0.37 H new ATOM 0 HB2 ASN A 83 13.830 7.114 -2.949 1.00 0.47 H new ATOM 0 HB3 ASN A 83 15.016 5.824 -2.953 1.00 0.47 H new ATOM 0 HD21 ASN A 83 17.077 8.135 -4.682 1.00 1.73 H new ATOM 0 HD22 ASN A 83 16.730 7.336 -3.145 1.00 1.73 H new ATOM 756 N THR A 84 12.254 6.826 -6.007 1.00 0.35 N ATOM 757 CA THR A 84 11.169 7.582 -6.611 1.00 0.39 C ATOM 758 C THR A 84 9.883 6.750 -6.687 1.00 0.32 C ATOM 759 O THR A 84 8.824 7.161 -6.193 1.00 0.33 O ATOM 760 CB THR A 84 11.572 8.036 -8.023 1.00 0.48 C ATOM 761 OG1 THR A 84 12.809 8.757 -7.957 1.00 1.02 O ATOM 762 CG2 THR A 84 10.495 8.912 -8.650 1.00 1.04 C ATOM 0 H THR A 84 13.078 6.732 -6.601 1.00 0.35 H new ATOM 0 HA THR A 84 10.976 8.452 -5.984 1.00 0.39 H new ATOM 0 HB THR A 84 11.692 7.151 -8.648 1.00 0.48 H new ATOM 0 HG1 THR A 84 13.068 9.046 -8.857 1.00 1.02 H new ATOM 0 HG21 THR A 84 10.810 9.217 -9.648 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.564 8.350 -8.719 1.00 1.04 H new ATOM 0 HG23 THR A 84 10.340 9.797 -8.032 1.00 1.04 H new ATOM 770 N VAL A 85 9.988 5.572 -7.291 1.00 0.30 N ATOM 771 CA VAL A 85 8.840 4.690 -7.456 1.00 0.28 C ATOM 772 C VAL A 85 8.369 4.171 -6.101 1.00 0.22 C ATOM 773 O VAL A 85 7.169 4.067 -5.849 1.00 0.20 O ATOM 774 CB VAL A 85 9.167 3.502 -8.388 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.959 2.591 -8.556 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.645 4.002 -9.744 1.00 0.41 C ATOM 0 H VAL A 85 10.859 5.205 -7.675 1.00 0.30 H new ATOM 0 HA VAL A 85 8.042 5.272 -7.916 1.00 0.28 H new ATOM 0 HB VAL A 85 9.968 2.924 -7.927 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.217 1.763 -9.217 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.660 2.200 -7.583 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.134 3.157 -8.988 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.871 3.151 -10.387 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.864 4.608 -10.204 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.543 4.606 -9.613 1.00 0.41 H new ATOM 786 N LEU A 86 9.324 3.866 -5.228 1.00 0.24 N ATOM 787 CA LEU A 86 9.009 3.400 -3.881 1.00 0.25 C ATOM 788 C LEU A 86 8.190 4.442 -3.125 1.00 0.21 C ATOM 789 O LEU A 86 7.179 4.110 -2.508 1.00 0.23 O ATOM 790 CB LEU A 86 10.291 3.081 -3.110 1.00 0.33 C ATOM 791 CG LEU A 86 11.129 1.936 -3.681 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.376 1.719 -2.840 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.310 0.656 -3.757 1.00 0.37 C ATOM 0 H LEU A 86 10.322 3.933 -5.429 1.00 0.24 H new ATOM 0 HA LEU A 86 8.416 2.490 -3.969 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.908 3.979 -3.076 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.026 2.837 -2.081 1.00 0.33 H new ATOM 0 HG LEU A 86 11.435 2.207 -4.691 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.961 0.901 -3.260 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.976 2.629 -2.837 1.00 0.44 H new ATOM 0 HD13 LEU A 86 12.087 1.471 -1.819 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.925 -0.146 -4.166 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.972 0.381 -2.758 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.446 0.815 -4.402 1.00 0.37 H new ATOM 805 N GLY A 87 8.625 5.702 -3.190 1.00 0.21 N ATOM 806 CA GLY A 87 7.896 6.786 -2.551 1.00 0.22 C ATOM 807 C GLY A 87 6.481 6.909 -3.078 1.00 0.21 C ATOM 808 O GLY A 87 5.532 7.104 -2.308 1.00 0.23 O ATOM 0 H GLY A 87 9.474 5.990 -3.677 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.868 6.618 -1.474 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.426 7.724 -2.714 1.00 0.22 H new ATOM 812 N LYS A 88 6.333 6.788 -4.401 1.00 0.22 N ATOM 813 CA LYS A 88 5.011 6.782 -5.021 1.00 0.29 C ATOM 814 C LYS A 88 4.146 5.693 -4.407 1.00 0.22 C ATOM 815 O LYS A 88 3.055 5.963 -3.900 1.00 0.24 O ATOM 816 CB LYS A 88 5.108 6.548 -6.535 1.00 0.48 C ATOM 817 CG LYS A 88 5.595 7.746 -7.333 1.00 0.97 C ATOM 818 CD LYS A 88 5.696 7.403 -8.813 1.00 0.80 C ATOM 819 CE LYS A 88 6.055 8.614 -9.659 1.00 1.23 C ATOM 820 NZ LYS A 88 4.966 9.625 -9.684 1.00 1.71 N ATOM 0 H LYS A 88 7.109 6.694 -5.057 1.00 0.22 H new ATOM 0 HA LYS A 88 4.560 7.758 -4.843 1.00 0.29 H new ATOM 0 HB2 LYS A 88 5.781 5.710 -6.717 1.00 0.48 H new ATOM 0 HB3 LYS A 88 4.126 6.255 -6.907 1.00 0.48 H new ATOM 0 HG2 LYS A 88 4.911 8.583 -7.195 1.00 0.97 H new ATOM 0 HG3 LYS A 88 6.569 8.065 -6.961 1.00 0.97 H new ATOM 0 HD2 LYS A 88 6.449 6.627 -8.954 1.00 0.80 H new ATOM 0 HD3 LYS A 88 4.746 6.992 -9.155 1.00 0.80 H new ATOM 0 HE2 LYS A 88 6.964 9.071 -9.268 1.00 1.23 H new ATOM 0 HE3 LYS A 88 6.273 8.292 -10.677 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 4.822 9.957 -10.659 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 4.087 9.197 -9.331 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 5.226 10.430 -9.079 1.00 1.71 H new ATOM 834 N ILE A 89 4.666 4.470 -4.409 1.00 0.20 N ATOM 835 CA ILE A 89 3.908 3.313 -3.954 1.00 0.20 C ATOM 836 C ILE A 89 3.546 3.462 -2.483 1.00 0.19 C ATOM 837 O ILE A 89 2.455 3.091 -2.063 1.00 0.21 O ATOM 838 CB ILE A 89 4.695 1.997 -4.170 1.00 0.23 C ATOM 839 CG1 ILE A 89 4.988 1.784 -5.662 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.933 0.806 -3.599 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.854 0.576 -5.943 1.00 0.40 C ATOM 0 H ILE A 89 5.613 4.255 -4.722 1.00 0.20 H new ATOM 0 HA ILE A 89 2.995 3.264 -4.548 1.00 0.20 H new ATOM 0 HB ILE A 89 5.643 2.078 -3.639 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.045 1.677 -6.197 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.479 2.673 -6.058 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.507 -0.106 -3.764 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.780 0.951 -2.529 1.00 0.22 H new ATOM 0 HG23 ILE A 89 2.966 0.721 -4.095 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.019 0.489 -7.017 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.812 0.690 -5.437 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.355 -0.322 -5.578 1.00 0.40 H new ATOM 853 N TRP A 90 4.458 4.036 -1.716 1.00 0.19 N ATOM 854 CA TRP A 90 4.238 4.247 -0.296 1.00 0.22 C ATOM 855 C TRP A 90 3.039 5.151 -0.054 1.00 0.24 C ATOM 856 O TRP A 90 2.088 4.765 0.623 1.00 0.28 O ATOM 857 CB TRP A 90 5.477 4.861 0.343 1.00 0.25 C ATOM 858 CG TRP A 90 5.337 5.050 1.823 1.00 0.30 C ATOM 859 CD1 TRP A 90 5.034 6.209 2.478 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.482 4.047 2.834 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.974 5.983 3.829 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.249 4.670 4.074 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.787 2.686 2.816 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.304 3.981 5.276 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.843 2.004 4.013 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.601 2.653 5.229 1.00 0.19 C ATOM 0 H TRP A 90 5.362 4.365 -2.056 1.00 0.19 H new ATOM 0 HA TRP A 90 4.037 3.277 0.158 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.337 4.222 0.143 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.681 5.825 -0.124 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.866 7.164 2.002 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.758 6.685 4.537 1.00 0.46 H new ATOM 0 HE3 TRP A 90 5.976 2.176 1.883 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 5.118 4.480 6.216 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.078 0.950 4.012 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.651 2.089 6.149 1.00 0.19 H new ATOM 877 N LYS A 91 3.069 6.345 -0.633 1.00 0.24 N ATOM 878 CA LYS A 91 2.032 7.335 -0.363 1.00 0.30 C ATOM 879 C LYS A 91 0.744 7.038 -1.125 1.00 0.29 C ATOM 880 O LYS A 91 -0.234 7.780 -1.019 1.00 0.36 O ATOM 881 CB LYS A 91 2.548 8.746 -0.662 1.00 0.40 C ATOM 882 CG LYS A 91 3.681 9.157 0.270 1.00 0.53 C ATOM 883 CD LYS A 91 4.041 10.629 0.134 1.00 1.04 C ATOM 884 CE LYS A 91 5.096 11.029 1.160 1.00 1.51 C ATOM 885 NZ LYS A 91 5.409 12.483 1.114 1.00 2.40 N ATOM 0 H LYS A 91 3.791 6.650 -1.286 1.00 0.24 H new ATOM 0 HA LYS A 91 1.787 7.277 0.697 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.895 8.792 -1.694 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.728 9.458 -0.569 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.393 8.950 1.301 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.561 8.550 0.057 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.413 10.825 -0.872 1.00 1.04 H new ATOM 0 HD3 LYS A 91 3.148 11.240 0.268 1.00 1.04 H new ATOM 0 HE2 LYS A 91 4.746 10.767 2.158 1.00 1.51 H new ATOM 0 HE3 LYS A 91 6.007 10.458 0.982 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 5.803 12.782 2.029 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 6.103 12.665 0.361 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 4.539 13.019 0.920 1.00 2.40 H new ATOM 899 N LEU A 92 0.756 5.969 -1.912 1.00 0.27 N ATOM 900 CA LEU A 92 -0.467 5.440 -2.510 1.00 0.32 C ATOM 901 C LEU A 92 -1.049 4.331 -1.643 1.00 0.30 C ATOM 902 O LEU A 92 -2.247 4.301 -1.373 1.00 0.43 O ATOM 903 CB LEU A 92 -0.193 4.875 -3.900 1.00 0.40 C ATOM 904 CG LEU A 92 0.293 5.879 -4.939 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.793 5.133 -6.167 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.822 6.855 -5.301 1.00 1.08 C ATOM 0 H LEU A 92 1.600 5.449 -2.152 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.177 6.263 -2.585 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.552 4.084 -3.810 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.107 4.411 -4.270 1.00 0.40 H new ATOM 0 HG LEU A 92 1.117 6.460 -4.525 1.00 0.59 H new ATOM 0 HD11 LEU A 92 1.141 5.849 -6.911 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.615 4.476 -5.884 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.018 4.539 -6.587 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.458 7.565 -6.044 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.669 6.304 -5.710 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.137 7.395 -4.408 1.00 1.08 H new ATOM 918 N ALA A 93 -0.182 3.416 -1.226 1.00 0.22 N ATOM 919 CA ALA A 93 -0.594 2.250 -0.459 1.00 0.21 C ATOM 920 C ALA A 93 -0.986 2.635 0.956 1.00 0.19 C ATOM 921 O ALA A 93 -1.925 2.078 1.522 1.00 0.30 O ATOM 922 CB ALA A 93 0.513 1.203 -0.438 1.00 0.23 C ATOM 0 H ALA A 93 0.820 3.462 -1.409 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.469 1.821 -0.947 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.186 0.339 0.140 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.739 0.892 -1.458 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.407 1.628 0.019 1.00 0.23 H new ATOM 928 N ASP A 94 -0.282 3.607 1.524 1.00 0.18 N ATOM 929 CA ASP A 94 -0.580 4.035 2.889 1.00 0.18 C ATOM 930 C ASP A 94 -1.668 5.093 2.874 1.00 0.33 C ATOM 931 O ASP A 94 -1.430 6.276 3.128 1.00 0.45 O ATOM 932 CB ASP A 94 0.660 4.546 3.634 1.00 0.30 C ATOM 933 CG ASP A 94 0.393 4.785 5.122 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.261 3.928 5.773 1.00 0.30 O ATOM 935 OD2 ASP A 94 0.848 5.815 5.660 1.00 0.31 O ATOM 0 H ASP A 94 0.485 4.106 1.073 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.931 3.159 3.434 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.469 3.823 3.525 1.00 0.30 H new ATOM 0 HB3 ASP A 94 0.998 5.475 3.175 1.00 0.30 H new ATOM 940 N VAL A 95 -2.869 4.642 2.548 1.00 0.51 N ATOM 941 CA VAL A 95 -4.051 5.490 2.513 1.00 0.71 C ATOM 942 C VAL A 95 -4.442 5.927 3.910 1.00 0.72 C ATOM 943 O VAL A 95 -5.237 6.846 4.097 1.00 0.80 O ATOM 944 CB VAL A 95 -5.243 4.746 1.890 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.020 4.537 0.406 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.478 3.410 2.589 1.00 0.95 C ATOM 0 H VAL A 95 -3.053 3.670 2.298 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.803 6.362 1.907 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.134 5.360 2.025 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -5.873 4.009 -0.019 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -4.910 5.504 -0.085 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.116 3.948 0.253 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.327 2.903 2.130 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.588 2.788 2.493 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.687 3.583 3.645 1.00 0.95 H new ATOM 956 N ASP A 96 -3.884 5.234 4.880 1.00 0.70 N ATOM 957 CA ASP A 96 -4.160 5.474 6.279 1.00 0.78 C ATOM 958 C ASP A 96 -3.303 6.625 6.794 1.00 0.75 C ATOM 959 O ASP A 96 -3.597 7.228 7.830 1.00 0.88 O ATOM 960 CB ASP A 96 -3.879 4.184 7.020 1.00 0.96 C ATOM 961 CG ASP A 96 -4.362 4.161 8.448 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.506 4.600 8.699 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.608 3.666 9.307 1.00 1.12 O ATOM 0 H ASP A 96 -3.218 4.479 4.716 1.00 0.70 H new ATOM 0 HA ASP A 96 -5.199 5.765 6.434 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -4.346 3.361 6.479 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -2.804 4.002 7.011 1.00 0.96 H new ATOM 968 N LYS A 97 -2.239 6.923 6.038 1.00 0.66 N ATOM 969 CA LYS A 97 -1.416 8.114 6.250 1.00 0.70 C ATOM 970 C LYS A 97 -0.766 8.095 7.629 1.00 0.70 C ATOM 971 O LYS A 97 -0.568 9.140 8.257 1.00 0.86 O ATOM 972 CB LYS A 97 -2.277 9.371 6.077 1.00 0.86 C ATOM 973 CG LYS A 97 -3.299 9.239 4.955 1.00 0.89 C ATOM 974 CD LYS A 97 -3.965 10.564 4.629 1.00 1.15 C ATOM 975 CE LYS A 97 -4.954 10.419 3.482 1.00 1.38 C ATOM 976 NZ LYS A 97 -5.704 11.676 3.228 1.00 1.68 N ATOM 0 H LYS A 97 -1.926 6.341 5.261 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.617 8.122 5.509 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -2.796 9.581 7.012 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -1.629 10.224 5.873 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -2.808 8.851 4.062 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -4.059 8.513 5.242 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -4.482 10.941 5.512 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -3.205 11.300 4.366 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -4.420 10.127 2.578 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -5.657 9.618 3.709 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -6.366 11.532 2.439 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -6.235 11.942 4.082 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -5.036 12.436 2.985 1.00 1.68 H new ATOM 990 N ASP A 98 -0.394 6.906 8.077 1.00 0.56 N ATOM 991 CA ASP A 98 0.093 6.732 9.434 1.00 0.59 C ATOM 992 C ASP A 98 1.545 6.264 9.455 1.00 0.45 C ATOM 993 O ASP A 98 2.081 5.948 10.520 1.00 0.46 O ATOM 994 CB ASP A 98 -0.798 5.728 10.190 1.00 0.67 C ATOM 995 CG ASP A 98 -0.772 4.323 9.602 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.809 4.190 8.365 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.710 3.332 10.378 1.00 0.71 O ATOM 0 H ASP A 98 -0.420 6.051 7.522 1.00 0.56 H new ATOM 0 HA ASP A 98 0.049 7.701 9.931 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.477 5.683 11.231 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.825 6.094 10.189 1.00 0.67 H new ATOM 1002 N GLY A 99 2.187 6.246 8.285 1.00 0.39 N ATOM 1003 CA GLY A 99 3.589 5.854 8.205 1.00 0.38 C ATOM 1004 C GLY A 99 3.768 4.384 8.516 1.00 0.29 C ATOM 1005 O GLY A 99 4.883 3.890 8.686 1.00 0.39 O ATOM 0 H GLY A 99 1.762 6.496 7.392 1.00 0.39 H new ATOM 0 HA2 GLY A 99 3.972 6.066 7.207 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.176 6.450 8.904 1.00 0.38 H new ATOM 1009 N LEU A 100 2.649 3.695 8.581 1.00 0.28 N ATOM 1010 CA LEU A 100 2.596 2.311 8.951 1.00 0.33 C ATOM 1011 C LEU A 100 1.705 1.570 7.978 1.00 0.29 C ATOM 1012 O LEU A 100 0.666 2.093 7.554 1.00 0.39 O ATOM 1013 CB LEU A 100 2.015 2.208 10.344 1.00 0.53 C ATOM 1014 CG LEU A 100 2.895 2.706 11.484 1.00 0.59 C ATOM 1015 CD1 LEU A 100 2.101 2.719 12.783 1.00 1.37 C ATOM 1016 CD2 LEU A 100 4.125 1.834 11.618 1.00 1.11 C ATOM 0 H LEU A 100 1.735 4.097 8.372 1.00 0.28 H new ATOM 0 HA LEU A 100 3.595 1.876 8.930 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.079 2.766 10.366 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.768 1.164 10.535 1.00 0.53 H new ATOM 0 HG LEU A 100 3.221 3.723 11.264 1.00 0.59 H new ATOM 0 HD11 LEU A 100 2.736 3.076 13.594 1.00 1.37 H new ATOM 0 HD12 LEU A 100 1.241 3.380 12.677 1.00 1.37 H new ATOM 0 HD13 LEU A 100 1.757 1.710 13.009 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.744 2.202 12.436 1.00 1.11 H new ATOM 0 HD22 LEU A 100 3.822 0.807 11.825 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.695 1.864 10.690 1.00 1.11 H new ATOM 1028 N LEU A 101 2.092 0.365 7.625 1.00 0.28 N ATOM 1029 CA LEU A 101 1.326 -0.415 6.681 1.00 0.27 C ATOM 1030 C LEU A 101 0.652 -1.591 7.366 1.00 0.27 C ATOM 1031 O LEU A 101 1.317 -2.496 7.873 1.00 0.31 O ATOM 1032 CB LEU A 101 2.216 -0.918 5.539 1.00 0.29 C ATOM 1033 CG LEU A 101 2.805 0.162 4.630 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.581 -0.484 3.494 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.710 1.071 4.090 1.00 0.34 C ATOM 0 H LEU A 101 2.931 -0.095 7.977 1.00 0.28 H new ATOM 0 HA LEU A 101 0.555 0.235 6.266 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.037 -1.492 5.969 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.634 -1.605 4.925 1.00 0.29 H new ATOM 0 HG LEU A 101 3.489 0.777 5.215 1.00 0.30 H new ATOM 0 HD11 LEU A 101 3.997 0.291 2.851 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.390 -1.089 3.904 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.913 -1.118 2.912 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.153 1.831 3.446 1.00 0.34 H new ATOM 0 HD22 LEU A 101 0.997 0.480 3.516 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.195 1.554 4.921 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.666 -1.550 7.419 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.448 -2.724 7.785 1.00 0.33 C ATOM 1049 C ASP A 102 -1.354 -3.747 6.668 1.00 0.26 C ATOM 1050 O ASP A 102 -0.821 -3.446 5.598 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.914 -2.352 8.011 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.094 -1.346 9.125 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.758 -0.162 8.924 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -3.582 -1.735 10.204 1.00 1.39 O ATOM 0 H ASP A 102 -1.221 -0.719 7.214 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.050 -3.138 8.712 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.328 -1.945 7.089 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.482 -3.253 8.245 1.00 0.44 H new ATOM 1059 N ASP A 103 -1.876 -4.943 6.897 1.00 0.32 N ATOM 1060 CA ASP A 103 -1.785 -6.004 5.896 1.00 0.35 C ATOM 1061 C ASP A 103 -2.494 -5.593 4.608 1.00 0.26 C ATOM 1062 O ASP A 103 -2.069 -5.967 3.519 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.342 -7.337 6.419 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.844 -7.332 6.622 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -4.306 -6.788 7.644 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.564 -7.891 5.765 1.00 1.17 O ATOM 0 H ASP A 103 -2.362 -5.205 7.755 1.00 0.32 H new ATOM 0 HA ASP A 103 -0.727 -6.156 5.680 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.082 -8.130 5.717 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -1.857 -7.577 7.365 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.558 -4.800 4.731 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.272 -4.298 3.558 1.00 0.25 C ATOM 1073 C GLU A 104 -3.386 -3.342 2.761 1.00 0.22 C ATOM 1074 O GLU A 104 -3.202 -3.508 1.554 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.554 -3.568 3.963 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.373 -4.301 5.007 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.741 -3.679 5.215 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -7.828 -2.631 5.888 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.736 -4.241 4.709 1.00 1.38 O ATOM 0 H GLU A 104 -3.942 -4.493 5.625 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.533 -5.158 2.941 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.293 -2.581 4.346 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.168 -3.413 3.076 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.493 -5.342 4.705 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -5.831 -4.304 5.953 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.821 -2.355 3.456 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.986 -1.336 2.822 1.00 0.18 C ATOM 1088 C GLU A 105 -0.751 -1.969 2.192 1.00 0.17 C ATOM 1089 O GLU A 105 -0.350 -1.617 1.083 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.557 -0.274 3.843 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.716 0.380 4.577 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.313 1.648 5.306 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.709 1.546 6.384 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.601 2.767 4.816 1.00 0.39 O ATOM 0 H GLU A 105 -2.928 -2.240 4.464 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.577 -0.857 2.041 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.891 -0.734 4.573 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.983 0.498 3.330 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.506 0.613 3.863 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.132 -0.328 5.293 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.163 -2.914 2.905 1.00 0.17 N ATOM 1102 CA PHE A 106 1.035 -3.590 2.440 1.00 0.18 C ATOM 1103 C PHE A 106 0.721 -4.510 1.265 1.00 0.18 C ATOM 1104 O PHE A 106 1.592 -4.799 0.441 1.00 0.21 O ATOM 1105 CB PHE A 106 1.657 -4.383 3.584 1.00 0.21 C ATOM 1106 CG PHE A 106 2.931 -5.088 3.218 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.069 -4.367 2.892 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.993 -6.473 3.199 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.241 -5.013 2.554 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.163 -7.123 2.862 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.288 -6.392 2.540 1.00 0.29 C ATOM 0 H PHE A 106 -0.499 -3.232 3.814 1.00 0.17 H new ATOM 0 HA PHE A 106 1.746 -2.839 2.097 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.854 -3.707 4.416 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.935 -5.119 3.936 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.038 -3.287 2.903 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.115 -7.050 3.451 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.120 -4.440 2.301 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.198 -8.202 2.850 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.205 -6.899 2.277 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.530 -4.935 1.168 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.942 -5.820 0.096 1.00 0.24 C ATOM 1123 C ALA A 107 -1.095 -5.007 -1.167 1.00 0.23 C ATOM 1124 O ALA A 107 -0.638 -5.393 -2.240 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.241 -6.525 0.443 1.00 0.34 C ATOM 0 H ALA A 107 -1.274 -4.681 1.818 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.185 -6.590 -0.052 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.528 -7.183 -0.377 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.104 -7.114 1.350 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.024 -5.785 0.606 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.716 -3.855 -1.007 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.834 -2.894 -2.076 1.00 0.28 C ATOM 1133 C LEU A 108 -0.439 -2.473 -2.551 1.00 0.23 C ATOM 1134 O LEU A 108 -0.196 -2.337 -3.754 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.644 -1.696 -1.578 1.00 0.38 C ATOM 1136 CG LEU A 108 -2.630 -0.479 -2.486 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -3.179 -0.824 -3.865 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.429 0.657 -1.867 1.00 1.31 C ATOM 0 H LEU A 108 -2.151 -3.563 -0.132 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.354 -3.334 -2.927 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -3.678 -2.011 -1.437 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.264 -1.403 -0.600 1.00 0.38 H new ATOM 0 HG LEU A 108 -1.596 -0.155 -2.602 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -3.159 0.064 -4.497 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -2.566 -1.605 -4.316 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.205 -1.178 -3.770 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -3.408 1.521 -2.531 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.461 0.338 -1.719 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -2.992 0.928 -0.906 1.00 1.31 H new ATOM 1150 N ALA A 109 0.477 -2.303 -1.597 1.00 0.23 N ATOM 1151 CA ALA A 109 1.866 -1.973 -1.903 1.00 0.24 C ATOM 1152 C ALA A 109 2.505 -3.041 -2.780 1.00 0.23 C ATOM 1153 O ALA A 109 3.013 -2.742 -3.861 1.00 0.24 O ATOM 1154 CB ALA A 109 2.683 -1.807 -0.626 1.00 0.27 C ATOM 0 H ALA A 109 0.278 -2.389 -0.600 1.00 0.23 H new ATOM 0 HA ALA A 109 1.861 -1.028 -2.446 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.714 -1.562 -0.883 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.258 -1.004 -0.024 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.662 -2.737 -0.057 1.00 0.27 H new ATOM 1160 N ASN A 110 2.464 -4.288 -2.315 1.00 0.24 N ATOM 1161 CA ASN A 110 3.090 -5.404 -3.029 1.00 0.26 C ATOM 1162 C ASN A 110 2.449 -5.621 -4.394 1.00 0.25 C ATOM 1163 O ASN A 110 3.118 -6.011 -5.351 1.00 0.26 O ATOM 1164 CB ASN A 110 2.996 -6.690 -2.201 1.00 0.28 C ATOM 1165 CG ASN A 110 4.061 -6.791 -1.125 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.452 -7.883 -0.729 1.00 0.70 O ATOM 1167 ND2 ASN A 110 4.542 -5.655 -0.649 1.00 0.55 N ATOM 0 H ASN A 110 2.003 -4.554 -1.445 1.00 0.24 H new ATOM 0 HA ASN A 110 4.139 -5.150 -3.181 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.012 -6.742 -1.735 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.079 -7.549 -2.867 1.00 0.28 H new ATOM 0 HD21 ASN A 110 5.263 -5.669 0.072 1.00 0.55 H new ATOM 0 HD22 ASN A 110 4.192 -4.765 -1.003 1.00 0.55 H new ATOM 1174 N HIS A 111 1.152 -5.365 -4.476 1.00 0.24 N ATOM 1175 CA HIS A 111 0.426 -5.478 -5.735 1.00 0.26 C ATOM 1176 C HIS A 111 0.964 -4.468 -6.736 1.00 0.24 C ATOM 1177 O HIS A 111 1.197 -4.813 -7.889 1.00 0.27 O ATOM 1178 CB HIS A 111 -1.073 -5.271 -5.496 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.960 -5.746 -6.614 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.501 -7.018 -6.658 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.441 -5.103 -7.709 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -3.272 -7.130 -7.721 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -3.253 -5.987 -8.377 1.00 0.73 N ATOM 0 H HIS A 111 0.578 -5.077 -3.684 1.00 0.24 H new ATOM 0 HA HIS A 111 0.570 -6.477 -6.147 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.356 -5.790 -4.580 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.257 -4.210 -5.330 1.00 0.28 H new ATOM 0 HD1 HIS A 111 -2.330 -7.755 -5.974 1.00 0.62 H new ATOM 0 HD2 HIS A 111 -2.225 -4.086 -8.001 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.827 -8.011 -8.007 1.00 0.75 H new ATOM 1192 N LEU A 112 1.190 -3.238 -6.287 1.00 0.24 N ATOM 1193 CA LEU A 112 1.778 -2.212 -7.145 1.00 0.23 C ATOM 1194 C LEU A 112 3.208 -2.578 -7.517 1.00 0.24 C ATOM 1195 O LEU A 112 3.638 -2.368 -8.654 1.00 0.27 O ATOM 1196 CB LEU A 112 1.762 -0.847 -6.455 1.00 0.23 C ATOM 1197 CG LEU A 112 0.378 -0.223 -6.278 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.483 1.101 -5.536 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.291 -0.025 -7.631 1.00 0.22 C ATOM 0 H LEU A 112 0.977 -2.927 -5.339 1.00 0.24 H new ATOM 0 HA LEU A 112 1.176 -2.155 -8.052 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.225 -0.948 -5.474 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.382 -0.160 -7.031 1.00 0.23 H new ATOM 0 HG LEU A 112 -0.235 -0.902 -5.685 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.511 1.532 -5.418 1.00 0.23 H new ATOM 0 HD12 LEU A 112 0.924 0.933 -4.554 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.111 1.787 -6.104 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.276 0.420 -7.488 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.320 0.636 -8.246 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.397 -0.989 -8.129 1.00 0.22 H new ATOM 1211 N ILE A 113 3.933 -3.130 -6.552 1.00 0.28 N ATOM 1212 CA ILE A 113 5.312 -3.544 -6.768 1.00 0.32 C ATOM 1213 C ILE A 113 5.411 -4.598 -7.868 1.00 0.35 C ATOM 1214 O ILE A 113 6.146 -4.418 -8.840 1.00 0.38 O ATOM 1215 CB ILE A 113 5.956 -4.075 -5.463 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.062 -2.947 -4.434 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.332 -4.676 -5.739 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.610 -3.390 -3.092 1.00 0.43 C ATOM 0 H ILE A 113 3.586 -3.302 -5.608 1.00 0.28 H new ATOM 0 HA ILE A 113 5.863 -2.659 -7.087 1.00 0.32 H new ATOM 0 HB ILE A 113 5.319 -4.863 -5.060 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.702 -2.161 -4.835 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.075 -2.509 -4.286 1.00 0.37 H new ATOM 0 HG21 ILE A 113 7.763 -5.042 -4.807 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.233 -5.503 -6.442 1.00 0.46 H new ATOM 0 HG23 ILE A 113 7.983 -3.913 -6.165 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.655 -2.535 -2.417 1.00 0.43 H new ATOM 0 HD12 ILE A 113 5.959 -4.154 -2.667 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.611 -3.800 -3.225 1.00 0.43 H new ATOM 1230 N LYS A 114 4.648 -5.680 -7.743 1.00 0.38 N ATOM 1231 CA LYS A 114 4.729 -6.760 -8.716 1.00 0.46 C ATOM 1232 C LYS A 114 4.123 -6.320 -10.042 1.00 0.45 C ATOM 1233 O LYS A 114 4.507 -6.814 -11.093 1.00 0.49 O ATOM 1234 CB LYS A 114 4.050 -8.034 -8.198 1.00 0.57 C ATOM 1235 CG LYS A 114 2.551 -8.098 -8.424 1.00 0.71 C ATOM 1236 CD LYS A 114 1.977 -9.373 -7.838 1.00 0.79 C ATOM 1237 CE LYS A 114 0.506 -9.534 -8.167 1.00 1.39 C ATOM 1238 NZ LYS A 114 0.280 -9.856 -9.601 1.00 1.81 N ATOM 0 H LYS A 114 3.977 -5.830 -6.989 1.00 0.38 H new ATOM 0 HA LYS A 114 5.781 -6.995 -8.875 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.512 -8.896 -8.680 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.245 -8.123 -7.129 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.071 -7.233 -7.966 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.337 -8.053 -9.492 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.531 -10.230 -8.221 1.00 0.79 H new ATOM 0 HD3 LYS A 114 2.108 -9.367 -6.756 1.00 0.79 H new ATOM 0 HE2 LYS A 114 0.082 -10.325 -7.548 1.00 1.39 H new ATOM 0 HE3 LYS A 114 -0.023 -8.615 -7.916 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 -0.719 -10.106 -9.747 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 0.519 -9.029 -10.184 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 0.882 -10.659 -9.876 1.00 1.81 H new ATOM 1252 N VAL A 115 3.188 -5.376 -9.982 1.00 0.43 N ATOM 1253 CA VAL A 115 2.657 -4.751 -11.186 1.00 0.46 C ATOM 1254 C VAL A 115 3.802 -4.138 -11.996 1.00 0.43 C ATOM 1255 O VAL A 115 3.929 -4.389 -13.197 1.00 0.48 O ATOM 1256 CB VAL A 115 1.584 -3.679 -10.839 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.478 -2.611 -11.907 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.223 -4.330 -10.648 1.00 0.76 C ATOM 0 H VAL A 115 2.784 -5.028 -9.112 1.00 0.43 H new ATOM 0 HA VAL A 115 2.167 -5.516 -11.789 1.00 0.46 H new ATOM 0 HB VAL A 115 1.902 -3.203 -9.911 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.717 -1.885 -11.621 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.438 -2.107 -12.014 1.00 0.91 H new ATOM 0 HG13 VAL A 115 1.202 -3.071 -12.856 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.515 -3.565 -10.406 1.00 0.76 H new ATOM 0 HG22 VAL A 115 -0.069 -4.839 -11.567 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.277 -5.053 -9.834 1.00 0.76 H new ATOM 1268 N LYS A 116 4.658 -3.375 -11.320 1.00 0.40 N ATOM 1269 CA LYS A 116 5.839 -2.801 -11.954 1.00 0.41 C ATOM 1270 C LYS A 116 6.780 -3.895 -12.453 1.00 0.47 C ATOM 1271 O LYS A 116 7.268 -3.835 -13.582 1.00 0.54 O ATOM 1272 CB LYS A 116 6.586 -1.896 -10.972 1.00 0.39 C ATOM 1273 CG LYS A 116 5.917 -0.553 -10.728 1.00 0.88 C ATOM 1274 CD LYS A 116 5.997 0.349 -11.951 1.00 0.77 C ATOM 1275 CE LYS A 116 7.440 0.672 -12.311 1.00 0.85 C ATOM 1276 NZ LYS A 116 7.535 1.520 -13.524 1.00 1.06 N ATOM 0 H LYS A 116 4.554 -3.141 -10.333 1.00 0.40 H new ATOM 0 HA LYS A 116 5.504 -2.211 -12.807 1.00 0.41 H new ATOM 0 HB2 LYS A 116 6.687 -2.417 -10.020 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.594 -1.724 -11.349 1.00 0.39 H new ATOM 0 HG2 LYS A 116 4.872 -0.711 -10.460 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.392 -0.059 -9.880 1.00 0.88 H new ATOM 0 HD2 LYS A 116 5.510 -0.138 -12.796 1.00 0.77 H new ATOM 0 HD3 LYS A 116 5.453 1.274 -11.759 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.917 1.182 -11.474 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.989 -0.255 -12.473 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 8.480 1.951 -13.573 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 7.377 0.935 -14.369 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 6.815 2.269 -13.481 1.00 1.06 H new ATOM 1290 N LEU A 117 7.025 -4.887 -11.605 1.00 0.47 N ATOM 1291 CA LEU A 117 7.923 -5.989 -11.941 1.00 0.57 C ATOM 1292 C LEU A 117 7.453 -6.746 -13.178 1.00 0.64 C ATOM 1293 O LEU A 117 8.265 -7.146 -14.015 1.00 0.75 O ATOM 1294 CB LEU A 117 8.054 -6.958 -10.763 1.00 0.59 C ATOM 1295 CG LEU A 117 9.220 -6.684 -9.806 1.00 0.86 C ATOM 1296 CD1 LEU A 117 9.131 -5.283 -9.218 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.241 -7.723 -8.699 1.00 1.59 C ATOM 0 H LEU A 117 6.613 -4.952 -10.674 1.00 0.47 H new ATOM 0 HA LEU A 117 8.898 -5.553 -12.160 1.00 0.57 H new ATOM 0 HB2 LEU A 117 7.126 -6.935 -10.192 1.00 0.59 H new ATOM 0 HB3 LEU A 117 8.161 -7.969 -11.157 1.00 0.59 H new ATOM 0 HG LEU A 117 10.149 -6.750 -10.373 1.00 0.86 H new ATOM 0 HD11 LEU A 117 9.971 -5.118 -8.543 1.00 1.48 H new ATOM 0 HD12 LEU A 117 9.161 -4.548 -10.022 1.00 1.48 H new ATOM 0 HD13 LEU A 117 8.197 -5.179 -8.666 1.00 1.48 H new ATOM 0 HD21 LEU A 117 10.073 -7.519 -8.025 1.00 1.59 H new ATOM 0 HD22 LEU A 117 8.304 -7.681 -8.143 1.00 1.59 H new ATOM 0 HD23 LEU A 117 9.361 -8.715 -9.134 1.00 1.59 H new ATOM 1309 N GLU A 118 6.147 -6.918 -13.305 1.00 0.61 N ATOM 1310 CA GLU A 118 5.583 -7.676 -14.414 1.00 0.69 C ATOM 1311 C GLU A 118 5.466 -6.827 -15.681 1.00 0.70 C ATOM 1312 O GLU A 118 4.890 -7.264 -16.677 1.00 0.85 O ATOM 1313 CB GLU A 118 4.218 -8.245 -14.031 1.00 0.70 C ATOM 1314 CG GLU A 118 4.264 -9.237 -12.873 1.00 0.80 C ATOM 1315 CD GLU A 118 5.253 -10.360 -13.103 1.00 1.36 C ATOM 1316 OE1 GLU A 118 4.858 -11.392 -13.686 1.00 1.71 O ATOM 1317 OE2 GLU A 118 6.425 -10.221 -12.703 1.00 2.05 O ATOM 0 H GLU A 118 5.456 -6.544 -12.655 1.00 0.61 H new ATOM 0 HA GLU A 118 6.265 -8.499 -14.629 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.554 -7.422 -13.765 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.783 -8.737 -14.901 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.528 -8.708 -11.957 1.00 0.80 H new ATOM 0 HG3 GLU A 118 3.270 -9.659 -12.722 1.00 0.80 H new ATOM 1324 N GLY A 119 6.002 -5.614 -15.634 1.00 0.60 N ATOM 1325 CA GLY A 119 6.058 -4.776 -16.820 1.00 0.62 C ATOM 1326 C GLY A 119 4.802 -3.954 -17.021 1.00 0.65 C ATOM 1327 O GLY A 119 4.450 -3.613 -18.152 1.00 0.68 O ATOM 0 H GLY A 119 6.400 -5.193 -14.794 1.00 0.60 H new ATOM 0 HA2 GLY A 119 6.916 -4.107 -16.746 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.219 -5.405 -17.696 1.00 0.62 H new ATOM 1331 N HIS A 120 4.121 -3.639 -15.931 1.00 0.70 N ATOM 1332 CA HIS A 120 2.932 -2.800 -15.987 1.00 0.78 C ATOM 1333 C HIS A 120 3.230 -1.442 -15.366 1.00 0.75 C ATOM 1334 O HIS A 120 3.579 -1.355 -14.189 1.00 0.92 O ATOM 1335 CB HIS A 120 1.761 -3.458 -15.252 1.00 0.80 C ATOM 1336 CG HIS A 120 1.421 -4.837 -15.730 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.688 -6.051 -15.194 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.718 -5.077 -16.886 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 1.140 -6.989 -16.029 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.562 -6.378 -17.043 1.00 1.10 N flip ATOM 0 H HIS A 120 4.371 -3.952 -14.993 1.00 0.70 H new ATOM 0 HA HIS A 120 2.653 -2.671 -17.033 1.00 0.78 H new ATOM 0 HB2 HIS A 120 1.996 -3.504 -14.189 1.00 0.80 H new ATOM 0 HB3 HIS A 120 0.881 -2.824 -15.357 1.00 0.80 H new ATOM 0 HD2 HIS A 120 0.350 -4.319 -17.561 1.00 0.97 H new ATOM 0 HE1 HIS A 120 1.176 -8.058 -15.880 1.00 1.16 H new ATOM 0 HE2 HIS A 120 0.077 -6.833 -17.817 1.00 1.10 H new ATOM 1349 N GLU A 121 3.093 -0.387 -16.151 1.00 0.78 N ATOM 1350 CA GLU A 121 3.376 0.953 -15.665 1.00 0.84 C ATOM 1351 C GLU A 121 2.176 1.524 -14.919 1.00 0.84 C ATOM 1352 O GLU A 121 1.156 1.868 -15.524 1.00 0.98 O ATOM 1353 CB GLU A 121 3.772 1.867 -16.828 1.00 1.05 C ATOM 1354 CG GLU A 121 5.110 1.503 -17.449 1.00 1.71 C ATOM 1355 CD GLU A 121 6.246 1.583 -16.450 1.00 2.10 C ATOM 1356 OE1 GLU A 121 6.502 0.587 -15.744 1.00 2.69 O ATOM 1357 OE2 GLU A 121 6.892 2.650 -16.356 1.00 2.11 O ATOM 0 H GLU A 121 2.789 -0.431 -17.124 1.00 0.78 H new ATOM 0 HA GLU A 121 4.211 0.896 -14.967 1.00 0.84 H new ATOM 0 HB2 GLU A 121 2.999 1.823 -17.595 1.00 1.05 H new ATOM 0 HB3 GLU A 121 3.812 2.897 -16.474 1.00 1.05 H new ATOM 0 HG2 GLU A 121 5.057 0.493 -17.856 1.00 1.71 H new ATOM 0 HG3 GLU A 121 5.315 2.173 -18.284 1.00 1.71 H new ATOM 1364 N LEU A 122 2.290 1.586 -13.595 1.00 0.88 N ATOM 1365 CA LEU A 122 1.248 2.170 -12.763 1.00 0.89 C ATOM 1366 C LEU A 122 1.169 3.682 -12.992 1.00 0.96 C ATOM 1367 O LEU A 122 2.179 4.329 -13.267 1.00 1.08 O ATOM 1368 CB LEU A 122 1.468 1.814 -11.276 1.00 0.90 C ATOM 1369 CG LEU A 122 2.876 2.057 -10.707 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.140 3.535 -10.467 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.058 1.283 -9.413 1.00 0.74 C ATOM 0 H LEU A 122 3.096 1.237 -13.077 1.00 0.88 H new ATOM 0 HA LEU A 122 0.286 1.746 -13.051 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.757 2.387 -10.681 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.223 0.761 -11.139 1.00 0.90 H new ATOM 0 HG LEU A 122 3.595 1.705 -11.447 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.145 3.665 -10.065 1.00 1.21 H new ATOM 0 HD12 LEU A 122 3.053 4.078 -11.408 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.412 3.924 -9.755 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.058 1.463 -9.019 1.00 0.74 H new ATOM 0 HD22 LEU A 122 2.317 1.612 -8.685 1.00 0.74 H new ATOM 0 HD23 LEU A 122 2.930 0.218 -9.605 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.037 4.257 -12.895 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.274 5.660 -13.215 1.00 1.15 C ATOM 1385 C PRO A 123 0.064 6.592 -12.057 1.00 1.04 C ATOM 1386 O PRO A 123 -0.060 7.809 -12.179 1.00 1.16 O ATOM 1387 CB PRO A 123 -1.780 5.712 -13.515 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.336 4.355 -13.189 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.267 3.592 -12.460 1.00 1.01 C ATOM 0 HA PRO A 123 0.354 5.994 -14.041 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.267 6.483 -12.917 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -1.957 5.961 -14.561 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -3.231 4.445 -12.573 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -2.628 3.831 -14.099 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.396 3.648 -11.379 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.271 2.535 -12.727 1.00 1.01 H new ATOM 1397 N ALA A 124 0.479 5.998 -10.936 1.00 0.88 N ATOM 1398 CA ALA A 124 0.787 6.735 -9.707 1.00 0.86 C ATOM 1399 C ALA A 124 -0.465 7.384 -9.120 1.00 0.82 C ATOM 1400 O ALA A 124 -0.380 8.306 -8.311 1.00 0.88 O ATOM 1401 CB ALA A 124 1.874 7.773 -9.950 1.00 1.06 C ATOM 0 H ALA A 124 0.611 4.990 -10.854 1.00 0.88 H new ATOM 0 HA ALA A 124 1.162 6.017 -8.978 1.00 0.86 H new ATOM 0 HB1 ALA A 124 2.083 8.305 -9.022 1.00 1.06 H new ATOM 0 HB2 ALA A 124 2.781 7.276 -10.296 1.00 1.06 H new ATOM 0 HB3 ALA A 124 1.538 8.482 -10.707 1.00 1.06 H new ATOM 1407 N ASP A 125 -1.622 6.881 -9.534 1.00 0.82 N ATOM 1408 CA ASP A 125 -2.899 7.269 -8.945 1.00 0.84 C ATOM 1409 C ASP A 125 -3.501 6.049 -8.278 1.00 0.83 C ATOM 1410 O ASP A 125 -3.052 4.929 -8.524 1.00 0.85 O ATOM 1411 CB ASP A 125 -3.882 7.808 -9.997 1.00 0.90 C ATOM 1412 CG ASP A 125 -3.465 9.145 -10.582 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -3.514 10.160 -9.854 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -3.071 9.189 -11.770 1.00 1.76 O ATOM 0 H ASP A 125 -1.702 6.195 -10.285 1.00 0.82 H new ATOM 0 HA ASP A 125 -2.720 8.069 -8.226 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -3.975 7.080 -10.803 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -4.868 7.910 -9.544 1.00 0.90 H new ATOM 1419 N LEU A 126 -4.511 6.242 -7.448 1.00 0.84 N ATOM 1420 CA LEU A 126 -5.127 5.120 -6.765 1.00 0.85 C ATOM 1421 C LEU A 126 -6.595 4.992 -7.158 1.00 0.82 C ATOM 1422 O LEU A 126 -7.459 5.673 -6.607 1.00 0.86 O ATOM 1423 CB LEU A 126 -4.989 5.273 -5.252 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.384 4.045 -4.435 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -4.510 2.862 -4.803 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -5.270 4.338 -2.952 1.00 1.62 C ATOM 0 H LEU A 126 -4.917 7.153 -7.233 1.00 0.84 H new ATOM 0 HA LEU A 126 -4.611 4.209 -7.068 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -3.954 5.525 -5.021 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -5.602 6.115 -4.931 1.00 0.92 H new ATOM 0 HG LEU A 126 -6.421 3.798 -4.663 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -4.804 1.995 -4.212 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -4.630 2.637 -5.863 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -3.467 3.103 -4.599 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -5.555 3.453 -2.383 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -4.241 4.608 -2.712 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -5.932 5.164 -2.693 1.00 1.62 H new ATOM 1438 N PRO A 127 -6.884 4.135 -8.151 1.00 0.79 N ATOM 1439 CA PRO A 127 -8.254 3.884 -8.609 1.00 0.78 C ATOM 1440 C PRO A 127 -9.138 3.295 -7.502 1.00 0.79 C ATOM 1441 O PRO A 127 -8.652 2.581 -6.619 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.083 2.878 -9.755 1.00 0.90 C ATOM 1443 CG PRO A 127 -6.726 2.295 -9.574 1.00 0.76 C ATOM 1444 CD PRO A 127 -5.896 3.356 -8.910 1.00 0.81 C ATOM 0 HA PRO A 127 -8.752 4.805 -8.913 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -8.850 2.105 -9.716 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -8.173 3.368 -10.724 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -6.768 1.394 -8.961 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -6.295 2.008 -10.533 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -5.138 2.923 -8.257 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -5.373 3.973 -9.641 1.00 0.81 H new ATOM 1452 N PRO A 128 -10.452 3.577 -7.552 1.00 0.82 N ATOM 1453 CA PRO A 128 -11.417 3.171 -6.512 1.00 0.89 C ATOM 1454 C PRO A 128 -11.426 1.667 -6.240 1.00 0.92 C ATOM 1455 O PRO A 128 -11.778 1.233 -5.147 1.00 1.00 O ATOM 1456 CB PRO A 128 -12.770 3.608 -7.083 1.00 0.98 C ATOM 1457 CG PRO A 128 -12.440 4.697 -8.038 1.00 1.02 C ATOM 1458 CD PRO A 128 -11.108 4.332 -8.633 1.00 0.86 C ATOM 0 HA PRO A 128 -11.166 3.623 -5.552 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -13.275 2.781 -7.583 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -13.437 3.960 -6.296 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.203 4.783 -8.811 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -12.391 5.660 -7.530 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.221 3.729 -9.534 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -10.535 5.217 -8.911 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.027 0.876 -7.229 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.037 -0.575 -7.089 1.00 0.96 C ATOM 1468 C HIS A 129 -9.747 -1.090 -6.445 1.00 0.95 C ATOM 1469 O HIS A 129 -9.541 -2.297 -6.336 1.00 1.02 O ATOM 1470 CB HIS A 129 -11.279 -1.252 -8.449 1.00 1.02 C ATOM 1471 CG HIS A 129 -10.250 -0.952 -9.504 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -8.922 -1.220 -9.554 1.00 1.10 N flip ATOM 1473 CD2 HIS A 129 -10.554 -0.327 -10.697 1.00 1.08 C flip ATOM 1474 CE1 HIS A 129 -8.458 -0.759 -10.758 1.00 1.14 C flip ATOM 1475 NE2 HIS A 129 -9.459 -0.224 -11.429 1.00 1.14 N flip ATOM 0 H HIS A 129 -10.694 1.213 -8.132 1.00 0.90 H new ATOM 0 HA HIS A 129 -11.860 -0.835 -6.424 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -11.318 -2.331 -8.298 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -12.257 -0.946 -8.820 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -11.534 0.023 -10.987 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -7.436 -0.824 -11.102 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -9.398 0.198 -12.356 1.00 1.14 H new ATOM 1484 N LEU A 130 -8.867 -0.179 -6.042 1.00 0.89 N ATOM 1485 CA LEU A 130 -7.628 -0.564 -5.366 1.00 0.92 C ATOM 1486 C LEU A 130 -7.580 -0.028 -3.942 1.00 0.93 C ATOM 1487 O LEU A 130 -6.969 -0.641 -3.067 1.00 1.06 O ATOM 1488 CB LEU A 130 -6.397 -0.074 -6.132 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.109 -0.800 -7.446 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -4.804 -0.308 -8.044 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -6.064 -2.308 -7.229 1.00 1.34 C ATOM 0 H LEU A 130 -8.985 0.826 -6.170 1.00 0.89 H new ATOM 0 HA LEU A 130 -7.615 -1.653 -5.334 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -6.521 0.988 -6.343 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -5.525 -0.171 -5.485 1.00 0.89 H new ATOM 0 HG LEU A 130 -6.916 -0.581 -8.146 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -4.611 -0.834 -8.979 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -4.873 0.763 -8.237 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -3.989 -0.499 -7.346 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -5.858 -2.806 -8.176 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -5.278 -2.549 -6.514 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -7.024 -2.649 -6.842 1.00 1.34 H new ATOM 1503 N VAL A 131 -8.210 1.116 -3.713 1.00 0.90 N ATOM 1504 CA VAL A 131 -8.206 1.727 -2.393 1.00 0.95 C ATOM 1505 C VAL A 131 -9.172 0.999 -1.455 1.00 1.00 C ATOM 1506 O VAL A 131 -10.335 0.776 -1.797 1.00 1.11 O ATOM 1507 CB VAL A 131 -8.542 3.244 -2.458 1.00 1.07 C ATOM 1508 CG1 VAL A 131 -9.804 3.503 -3.266 1.00 1.56 C ATOM 1509 CG2 VAL A 131 -8.659 3.840 -1.060 1.00 1.57 C ATOM 0 H VAL A 131 -8.728 1.637 -4.421 1.00 0.90 H new ATOM 0 HA VAL A 131 -7.196 1.632 -1.993 1.00 0.95 H new ATOM 0 HB VAL A 131 -7.716 3.739 -2.969 1.00 1.07 H new ATOM 0 HG11 VAL A 131 -10.008 4.574 -3.290 1.00 1.56 H new ATOM 0 HG12 VAL A 131 -9.666 3.137 -4.284 1.00 1.56 H new ATOM 0 HG13 VAL A 131 -10.644 2.984 -2.805 1.00 1.56 H new ATOM 0 HG21 VAL A 131 -8.894 4.902 -1.136 1.00 1.57 H new ATOM 0 HG22 VAL A 131 -9.452 3.331 -0.512 1.00 1.57 H new ATOM 0 HG23 VAL A 131 -7.714 3.715 -0.531 1.00 1.57 H new ATOM 1519 N PRO A 132 -8.671 0.583 -0.272 1.00 1.06 N ATOM 1520 CA PRO A 132 -9.478 -0.078 0.760 1.00 1.23 C ATOM 1521 C PRO A 132 -10.840 0.586 0.968 1.00 1.32 C ATOM 1522 O PRO A 132 -10.937 1.816 1.052 1.00 1.30 O ATOM 1523 CB PRO A 132 -8.622 0.081 2.013 1.00 1.35 C ATOM 1524 CG PRO A 132 -7.215 0.120 1.517 1.00 1.33 C ATOM 1525 CD PRO A 132 -7.258 0.713 0.132 1.00 1.08 C ATOM 0 HA PRO A 132 -9.708 -1.110 0.495 1.00 1.23 H new ATOM 0 HB2 PRO A 132 -8.876 0.994 2.551 1.00 1.35 H new ATOM 0 HB3 PRO A 132 -8.774 -0.749 2.703 1.00 1.35 H new ATOM 0 HG2 PRO A 132 -6.589 0.722 2.176 1.00 1.33 H new ATOM 0 HG3 PRO A 132 -6.785 -0.881 1.496 1.00 1.33 H new ATOM 0 HD2 PRO A 132 -6.939 1.755 0.135 1.00 1.08 H new ATOM 0 HD3 PRO A 132 -6.597 0.179 -0.551 1.00 1.08 H new ATOM 1533 N PRO A 133 -11.907 -0.226 1.094 1.00 1.52 N ATOM 1534 CA PRO A 133 -13.277 0.279 1.225 1.00 1.77 C ATOM 1535 C PRO A 133 -13.474 1.099 2.497 1.00 1.82 C ATOM 1536 O PRO A 133 -14.442 1.851 2.623 1.00 2.01 O ATOM 1537 CB PRO A 133 -14.135 -0.993 1.267 1.00 2.05 C ATOM 1538 CG PRO A 133 -13.205 -2.082 1.673 1.00 1.80 C ATOM 1539 CD PRO A 133 -11.855 -1.700 1.131 1.00 1.63 C ATOM 0 HA PRO A 133 -13.538 0.952 0.408 1.00 1.77 H new ATOM 0 HB2 PRO A 133 -14.955 -0.891 1.978 1.00 2.05 H new ATOM 0 HB3 PRO A 133 -14.581 -1.199 0.294 1.00 2.05 H new ATOM 0 HG2 PRO A 133 -13.175 -2.185 2.758 1.00 1.80 H new ATOM 0 HG3 PRO A 133 -13.529 -3.042 1.271 1.00 1.80 H new ATOM 0 HD2 PRO A 133 -11.049 -2.058 1.771 1.00 1.63 H new ATOM 0 HD3 PRO A 133 -11.686 -2.121 0.140 1.00 1.63 H new ATOM 1547 N SER A 134 -12.535 0.959 3.425 1.00 1.74 N ATOM 1548 CA SER A 134 -12.595 1.657 4.702 1.00 1.88 C ATOM 1549 C SER A 134 -12.023 3.071 4.587 1.00 1.70 C ATOM 1550 O SER A 134 -12.130 3.870 5.519 1.00 1.80 O ATOM 1551 CB SER A 134 -11.807 0.866 5.745 1.00 1.98 C ATOM 1552 OG SER A 134 -12.170 -0.504 5.722 1.00 2.66 O ATOM 0 H SER A 134 -11.715 0.362 3.314 1.00 1.74 H new ATOM 0 HA SER A 134 -13.639 1.738 5.004 1.00 1.88 H new ATOM 0 HB2 SER A 134 -10.739 0.966 5.553 1.00 1.98 H new ATOM 0 HB3 SER A 134 -11.992 1.279 6.737 1.00 1.98 H new ATOM 0 HG SER A 134 -11.652 -0.991 6.396 1.00 2.66 H new ATOM 1558 N LYS A 135 -11.412 3.385 3.448 1.00 1.54 N ATOM 1559 CA LYS A 135 -10.761 4.680 3.275 1.00 1.51 C ATOM 1560 C LYS A 135 -11.412 5.476 2.141 1.00 1.68 C ATOM 1561 O LYS A 135 -10.900 6.517 1.718 1.00 1.78 O ATOM 1562 CB LYS A 135 -9.268 4.481 2.997 1.00 1.41 C ATOM 1563 CG LYS A 135 -8.389 5.634 3.474 1.00 1.61 C ATOM 1564 CD LYS A 135 -8.352 5.722 4.996 1.00 1.57 C ATOM 1565 CE LYS A 135 -7.806 4.441 5.611 1.00 2.32 C ATOM 1566 NZ LYS A 135 -7.738 4.506 7.095 1.00 3.10 N ATOM 0 H LYS A 135 -11.354 2.767 2.638 1.00 1.54 H new ATOM 0 HA LYS A 135 -10.880 5.250 4.197 1.00 1.51 H new ATOM 0 HB2 LYS A 135 -8.938 3.562 3.481 1.00 1.41 H new ATOM 0 HB3 LYS A 135 -9.123 4.347 1.925 1.00 1.41 H new ATOM 0 HG2 LYS A 135 -7.377 5.502 3.092 1.00 1.61 H new ATOM 0 HG3 LYS A 135 -8.764 6.572 3.064 1.00 1.61 H new ATOM 0 HD2 LYS A 135 -7.732 6.566 5.299 1.00 1.57 H new ATOM 0 HD3 LYS A 135 -9.356 5.911 5.376 1.00 1.57 H new ATOM 0 HE2 LYS A 135 -8.437 3.602 5.316 1.00 2.32 H new ATOM 0 HE3 LYS A 135 -6.810 4.246 5.213 1.00 2.32 H new ATOM 0 HZ1 LYS A 135 -6.743 4.531 7.396 1.00 3.10 H new ATOM 0 HZ2 LYS A 135 -8.222 5.364 7.427 1.00 3.10 H new ATOM 0 HZ3 LYS A 135 -8.201 3.668 7.501 1.00 3.10 H new ATOM 1580 N ARG A 136 -12.548 4.985 1.664 1.00 1.84 N ATOM 1581 CA ARG A 136 -13.286 5.647 0.593 1.00 2.11 C ATOM 1582 C ARG A 136 -14.585 6.234 1.133 1.00 2.38 C ATOM 1583 O ARG A 136 -15.205 5.667 2.032 1.00 2.59 O ATOM 1584 CB ARG A 136 -13.557 4.666 -0.565 1.00 2.43 C ATOM 1585 CG ARG A 136 -14.282 3.390 -0.161 1.00 2.07 C ATOM 1586 CD ARG A 136 -15.794 3.540 -0.242 1.00 2.16 C ATOM 1587 NE ARG A 136 -16.486 2.483 0.494 1.00 2.41 N ATOM 1588 CZ ARG A 136 -17.596 1.871 0.070 1.00 3.06 C ATOM 1589 NH1 ARG A 136 -18.111 2.152 -1.127 1.00 3.21 N ATOM 1590 NH2 ARG A 136 -18.185 0.969 0.843 1.00 3.86 N ATOM 0 H ARG A 136 -12.981 4.126 2.003 1.00 1.84 H new ATOM 0 HA ARG A 136 -12.680 6.465 0.202 1.00 2.11 H new ATOM 0 HB2 ARG A 136 -14.147 5.177 -1.326 1.00 2.43 H new ATOM 0 HB3 ARG A 136 -12.606 4.397 -1.026 1.00 2.43 H new ATOM 0 HG2 ARG A 136 -13.964 2.573 -0.808 1.00 2.07 H new ATOM 0 HG3 ARG A 136 -13.999 3.119 0.856 1.00 2.07 H new ATOM 0 HD2 ARG A 136 -16.085 4.511 0.158 1.00 2.16 H new ATOM 0 HD3 ARG A 136 -16.106 3.519 -1.286 1.00 2.16 H new ATOM 0 HE ARG A 136 -16.096 2.193 1.391 1.00 2.41 H new ATOM 0 HH11 ARG A 136 -17.658 2.840 -1.729 1.00 3.21 H new ATOM 0 HH12 ARG A 136 -18.958 1.679 -1.441 1.00 3.21 H new ATOM 0 HH21 ARG A 136 -17.791 0.745 1.757 1.00 3.86 H new ATOM 0 HH22 ARG A 136 -19.032 0.499 0.524 1.00 3.86 H new ATOM 1604 N ARG A 137 -14.987 7.377 0.600 1.00 2.52 N ATOM 1605 CA ARG A 137 -16.211 8.035 1.038 1.00 2.92 C ATOM 1606 C ARG A 137 -17.118 8.372 -0.135 1.00 3.35 C ATOM 1607 O ARG A 137 -16.677 8.917 -1.146 1.00 3.45 O ATOM 1608 CB ARG A 137 -15.896 9.311 1.822 1.00 3.10 C ATOM 1609 CG ARG A 137 -15.643 9.078 3.302 1.00 3.38 C ATOM 1610 CD ARG A 137 -16.886 8.556 4.007 1.00 3.56 C ATOM 1611 NE ARG A 137 -18.048 9.424 3.800 1.00 3.80 N ATOM 1612 CZ ARG A 137 -19.239 9.222 4.362 1.00 4.35 C ATOM 1613 NH1 ARG A 137 -19.420 8.223 5.222 1.00 4.68 N ATOM 1614 NH2 ARG A 137 -20.235 10.052 4.099 1.00 5.00 N ATOM 0 H ARG A 137 -14.484 7.870 -0.138 1.00 2.52 H new ATOM 0 HA ARG A 137 -16.733 7.333 1.688 1.00 2.92 H new ATOM 0 HB2 ARG A 137 -15.019 9.787 1.384 1.00 3.10 H new ATOM 0 HB3 ARG A 137 -16.726 10.008 1.711 1.00 3.10 H new ATOM 0 HG2 ARG A 137 -14.828 8.365 3.425 1.00 3.38 H new ATOM 0 HG3 ARG A 137 -15.324 10.010 3.768 1.00 3.38 H new ATOM 0 HD2 ARG A 137 -17.114 7.554 3.643 1.00 3.56 H new ATOM 0 HD3 ARG A 137 -16.686 8.469 5.075 1.00 3.56 H new ATOM 0 HE ARG A 137 -17.938 10.233 3.188 1.00 3.80 H new ATOM 0 HH11 ARG A 137 -18.643 7.604 5.456 1.00 4.68 H new ATOM 0 HH12 ARG A 137 -20.335 8.076 5.647 1.00 4.68 H new ATOM 0 HH21 ARG A 137 -20.089 10.841 3.469 1.00 5.00 H new ATOM 0 HH22 ARG A 137 -21.149 9.903 4.526 1.00 5.00 H new ATOM 1628 N HIS A 138 -18.386 8.031 0.010 1.00 3.83 N ATOM 1629 CA HIS A 138 -19.407 8.427 -0.944 1.00 4.40 C ATOM 1630 C HIS A 138 -20.597 8.990 -0.182 1.00 4.88 C ATOM 1631 O HIS A 138 -21.182 8.303 0.656 1.00 5.25 O ATOM 1632 CB HIS A 138 -19.855 7.243 -1.805 1.00 4.87 C ATOM 1633 CG HIS A 138 -20.779 7.637 -2.917 1.00 5.39 C ATOM 1634 ND1 HIS A 138 -22.134 7.836 -2.741 1.00 5.76 N ATOM 1635 CD2 HIS A 138 -20.532 7.886 -4.225 1.00 5.99 C ATOM 1636 CE1 HIS A 138 -22.677 8.189 -3.894 1.00 6.48 C ATOM 1637 NE2 HIS A 138 -21.727 8.226 -4.807 1.00 6.63 N ATOM 0 H HIS A 138 -18.736 7.474 0.789 1.00 3.83 H new ATOM 0 HA HIS A 138 -18.991 9.183 -1.610 1.00 4.40 H new ATOM 0 HB2 HIS A 138 -18.976 6.756 -2.227 1.00 4.87 H new ATOM 0 HB3 HIS A 138 -20.352 6.509 -1.171 1.00 4.87 H new ATOM 0 HD2 HIS A 138 -19.573 7.828 -4.718 1.00 5.99 H new ATOM 0 HE1 HIS A 138 -23.721 8.409 -4.059 1.00 6.48 H new ATOM 0 HE2 HIS A 138 -21.859 8.469 -5.789 1.00 6.63 H new ATOM 1646 N GLU A 139 -20.940 10.229 -0.471 1.00 5.07 N ATOM 1647 CA GLU A 139 -22.030 10.906 0.206 1.00 5.70 C ATOM 1648 C GLU A 139 -22.810 11.711 -0.823 1.00 6.29 C ATOM 1649 O GLU A 139 -23.929 11.296 -1.176 1.00 6.65 O ATOM 1650 CB GLU A 139 -21.469 11.812 1.312 1.00 5.71 C ATOM 1651 CG GLU A 139 -22.450 12.134 2.439 1.00 5.26 C ATOM 1652 CD GLU A 139 -23.559 13.091 2.041 1.00 5.14 C ATOM 1653 OE1 GLU A 139 -23.253 14.252 1.691 1.00 5.08 O ATOM 1654 OE2 GLU A 139 -24.739 12.672 2.027 1.00 5.38 O ATOM 1655 OXT GLU A 139 -22.265 12.727 -1.306 1.00 6.66 O ATOM 0 H GLU A 139 -20.473 10.795 -1.180 1.00 5.07 H new ATOM 0 HA GLU A 139 -22.699 10.184 0.674 1.00 5.70 H new ATOM 0 HB2 GLU A 139 -20.589 11.334 1.742 1.00 5.71 H new ATOM 0 HB3 GLU A 139 -21.136 12.747 0.862 1.00 5.71 H new ATOM 0 HG2 GLU A 139 -22.896 11.205 2.794 1.00 5.26 H new ATOM 0 HG3 GLU A 139 -21.898 12.562 3.275 1.00 5.26 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 6.040 23.897 10.265 1.00 8.10 N ATOM 1664 CA PHE B 143 7.482 23.745 10.559 1.00 8.03 C ATOM 1665 C PHE B 143 7.763 22.359 11.123 1.00 7.44 C ATOM 1666 O PHE B 143 7.596 22.121 12.320 1.00 7.60 O ATOM 1667 CB PHE B 143 7.958 24.814 11.549 1.00 8.52 C ATOM 1668 CG PHE B 143 7.900 26.217 11.018 1.00 9.13 C ATOM 1669 CD1 PHE B 143 8.734 26.615 9.985 1.00 9.42 C ATOM 1670 CD2 PHE B 143 7.005 27.135 11.543 1.00 9.57 C ATOM 1671 CE1 PHE B 143 8.677 27.904 9.489 1.00 10.12 C ATOM 1672 CE2 PHE B 143 6.943 28.425 11.053 1.00 10.25 C ATOM 1673 CZ PHE B 143 7.807 28.820 10.046 1.00 10.53 C ATOM 0 HA PHE B 143 8.030 23.871 9.625 1.00 8.03 H new ATOM 0 HB2 PHE B 143 7.349 24.754 12.451 1.00 8.52 H new ATOM 0 HB3 PHE B 143 8.984 24.591 11.841 1.00 8.52 H new ATOM 0 HD1 PHE B 143 9.436 25.911 9.563 1.00 9.42 H new ATOM 0 HD2 PHE B 143 6.347 26.838 12.346 1.00 9.57 H new ATOM 0 HE1 PHE B 143 9.313 28.195 8.666 1.00 10.12 H new ATOM 0 HE2 PHE B 143 6.223 29.123 11.454 1.00 10.25 H new ATOM 0 HZ PHE B 143 7.800 29.842 9.697 1.00 10.53 H new ATOM 1685 N ASN B 144 8.160 21.444 10.254 1.00 7.01 N ATOM 1686 CA ASN B 144 8.494 20.085 10.659 1.00 6.70 C ATOM 1687 C ASN B 144 9.340 19.411 9.585 1.00 5.91 C ATOM 1688 O ASN B 144 9.765 20.059 8.624 1.00 6.06 O ATOM 1689 CB ASN B 144 7.226 19.255 10.926 1.00 7.00 C ATOM 1690 CG ASN B 144 6.310 19.157 9.718 1.00 7.59 C ATOM 1691 OD1 ASN B 144 6.453 18.264 8.884 1.00 7.73 O ATOM 1692 ND2 ASN B 144 5.340 20.057 9.632 1.00 8.22 N ATOM 0 H ASN B 144 8.260 21.619 9.254 1.00 7.01 H new ATOM 0 HA ASN B 144 9.065 20.141 11.586 1.00 6.70 H new ATOM 0 HB2 ASN B 144 7.515 18.251 11.237 1.00 7.00 H new ATOM 0 HB3 ASN B 144 6.676 19.700 11.756 1.00 7.00 H new ATOM 0 HD21 ASN B 144 4.680 20.023 8.855 1.00 8.22 H new ATOM 0 HD22 ASN B 144 5.253 20.783 10.343 1.00 8.22 H new ATOM 1699 N TYR B 145 9.591 18.122 9.761 1.00 5.34 N ATOM 1700 CA TYR B 145 10.368 17.353 8.803 1.00 4.71 C ATOM 1701 C TYR B 145 9.635 16.063 8.449 1.00 4.07 C ATOM 1702 O TYR B 145 8.863 15.540 9.256 1.00 4.28 O ATOM 1703 CB TYR B 145 11.764 17.047 9.370 1.00 5.00 C ATOM 1704 CG TYR B 145 11.756 16.201 10.632 1.00 5.29 C ATOM 1705 CD1 TYR B 145 11.557 16.779 11.879 1.00 5.10 C ATOM 1706 CD2 TYR B 145 11.958 14.825 10.573 1.00 6.11 C ATOM 1707 CE1 TYR B 145 11.558 16.014 13.033 1.00 5.74 C ATOM 1708 CE2 TYR B 145 11.956 14.053 11.720 1.00 6.74 C ATOM 1709 CZ TYR B 145 11.756 14.650 12.948 1.00 6.56 C ATOM 1710 OH TYR B 145 11.765 13.882 14.093 1.00 7.43 O ATOM 0 H TYR B 145 9.265 17.585 10.564 1.00 5.34 H new ATOM 0 HA TYR B 145 10.490 17.942 7.894 1.00 4.71 H new ATOM 0 HB2 TYR B 145 12.349 16.534 8.607 1.00 5.00 H new ATOM 0 HB3 TYR B 145 12.272 17.988 9.581 1.00 5.00 H new ATOM 0 HD1 TYR B 145 11.399 17.845 11.950 1.00 5.10 H new ATOM 0 HD2 TYR B 145 12.119 14.353 9.615 1.00 6.11 H new ATOM 0 HE1 TYR B 145 11.405 16.482 13.994 1.00 5.74 H new ATOM 0 HE2 TYR B 145 12.110 12.986 11.655 1.00 6.74 H new ATOM 0 HH TYR B 145 11.916 12.943 13.856 1.00 7.43 H new ATOM 1720 N GLU B 146 9.866 15.566 7.244 1.00 3.73 N ATOM 1721 CA GLU B 146 9.207 14.354 6.785 1.00 3.42 C ATOM 1722 C GLU B 146 9.782 13.126 7.480 1.00 3.05 C ATOM 1723 O GLU B 146 10.995 12.921 7.510 1.00 3.46 O ATOM 1724 CB GLU B 146 9.335 14.211 5.263 1.00 3.93 C ATOM 1725 CG GLU B 146 8.718 12.929 4.710 1.00 4.68 C ATOM 1726 CD GLU B 146 7.213 12.852 4.895 1.00 5.33 C ATOM 1727 OE1 GLU B 146 6.758 12.730 6.054 1.00 5.92 O ATOM 1728 OE2 GLU B 146 6.477 12.924 3.882 1.00 5.51 O ATOM 0 H GLU B 146 10.505 15.983 6.567 1.00 3.73 H new ATOM 0 HA GLU B 146 8.150 14.430 7.040 1.00 3.42 H new ATOM 0 HB2 GLU B 146 8.859 15.067 4.786 1.00 3.93 H new ATOM 0 HB3 GLU B 146 10.390 14.241 4.992 1.00 3.93 H new ATOM 0 HG2 GLU B 146 8.950 12.853 3.648 1.00 4.68 H new ATOM 0 HG3 GLU B 146 9.181 12.072 5.200 1.00 4.68 H new ATOM 1735 N SER B 147 8.897 12.335 8.056 1.00 2.73 N ATOM 1736 CA SER B 147 9.282 11.096 8.701 1.00 2.56 C ATOM 1737 C SER B 147 8.261 10.009 8.368 1.00 1.90 C ATOM 1738 O SER B 147 8.319 8.896 8.894 1.00 2.33 O ATOM 1739 CB SER B 147 9.400 11.304 10.220 1.00 3.35 C ATOM 1740 OG SER B 147 9.839 10.124 10.874 1.00 4.34 O ATOM 0 H SER B 147 7.897 12.532 8.090 1.00 2.73 H new ATOM 0 HA SER B 147 10.257 10.779 8.332 1.00 2.56 H new ATOM 0 HB2 SER B 147 10.098 12.116 10.424 1.00 3.35 H new ATOM 0 HB3 SER B 147 8.433 11.606 10.623 1.00 3.35 H new ATOM 0 HG SER B 147 9.561 9.340 10.356 1.00 4.34 H new ATOM 1746 N THR B 148 7.342 10.337 7.466 1.00 1.20 N ATOM 1747 CA THR B 148 6.293 9.410 7.071 1.00 1.00 C ATOM 1748 C THR B 148 6.774 8.531 5.924 1.00 0.81 C ATOM 1749 O THR B 148 6.452 7.346 5.851 1.00 1.25 O ATOM 1750 CB THR B 148 5.030 10.169 6.625 1.00 1.18 C ATOM 1751 OG1 THR B 148 4.801 11.287 7.492 1.00 2.12 O ATOM 1752 CG2 THR B 148 3.811 9.256 6.635 1.00 1.63 C ATOM 0 H THR B 148 7.304 11.241 6.995 1.00 1.20 H new ATOM 0 HA THR B 148 6.050 8.791 7.935 1.00 1.00 H new ATOM 0 HB THR B 148 5.188 10.522 5.606 1.00 1.18 H new ATOM 0 HG1 THR B 148 5.376 12.034 7.222 1.00 2.12 H new ATOM 0 HG21 THR B 148 2.933 9.818 6.316 1.00 1.63 H new ATOM 0 HG22 THR B 148 3.976 8.422 5.953 1.00 1.63 H new ATOM 0 HG23 THR B 148 3.651 8.874 7.643 1.00 1.63 H new ATOM 1760 N ASP B 149 7.555 9.132 5.034 1.00 0.45 N ATOM 1761 CA ASP B 149 8.072 8.439 3.861 1.00 0.42 C ATOM 1762 C ASP B 149 9.559 8.151 4.035 1.00 0.31 C ATOM 1763 O ASP B 149 10.380 9.069 4.063 1.00 0.30 O ATOM 1764 CB ASP B 149 7.846 9.284 2.609 1.00 0.70 C ATOM 1765 CG ASP B 149 8.275 8.578 1.341 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.492 8.371 1.160 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.398 8.253 0.516 1.00 1.25 O ATOM 0 H ASP B 149 7.846 10.107 5.104 1.00 0.45 H new ATOM 0 HA ASP B 149 7.540 7.494 3.749 1.00 0.42 H new ATOM 0 HB2 ASP B 149 6.790 9.542 2.536 1.00 0.70 H new ATOM 0 HB3 ASP B 149 8.397 10.220 2.703 1.00 0.70 H new ATOM 1772 N PRO B 150 9.920 6.869 4.162 1.00 0.31 N ATOM 1773 CA PRO B 150 11.301 6.435 4.405 1.00 0.29 C ATOM 1774 C PRO B 150 12.189 6.494 3.156 1.00 0.29 C ATOM 1775 O PRO B 150 13.388 6.197 3.225 1.00 0.34 O ATOM 1776 CB PRO B 150 11.146 4.978 4.877 1.00 0.34 C ATOM 1777 CG PRO B 150 9.673 4.736 5.005 1.00 0.49 C ATOM 1778 CD PRO B 150 9.003 5.729 4.107 1.00 0.43 C ATOM 0 HA PRO B 150 11.795 7.089 5.124 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.594 4.287 4.162 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.651 4.822 5.830 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.420 3.716 4.714 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.347 4.863 6.037 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.889 5.347 3.092 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.007 5.991 4.463 1.00 0.43 H new ATOM 1786 N PHE B 151 11.616 6.871 2.023 1.00 0.31 N ATOM 1787 CA PHE B 151 12.353 6.888 0.761 1.00 0.39 C ATOM 1788 C PHE B 151 12.841 8.295 0.461 1.00 0.46 C ATOM 1789 O PHE B 151 13.653 8.510 -0.440 1.00 0.56 O ATOM 1790 CB PHE B 151 11.473 6.356 -0.376 1.00 0.44 C ATOM 1791 CG PHE B 151 10.716 5.137 0.034 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.331 3.898 0.066 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.399 5.238 0.437 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.638 2.782 0.484 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.709 4.133 0.864 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.327 2.900 0.886 1.00 0.32 C ATOM 0 H PHE B 151 10.644 7.170 1.948 1.00 0.31 H new ATOM 0 HA PHE B 151 13.222 6.236 0.848 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.773 7.131 -0.687 1.00 0.44 H new ATOM 0 HB3 PHE B 151 12.096 6.124 -1.240 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.363 3.804 -0.239 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.907 6.199 0.416 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.123 1.817 0.496 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.682 4.228 1.183 1.00 0.27 H new ATOM 0 HZ PHE B 151 8.783 2.028 1.218 1.00 0.32 H new ATOM 1806 N THR B 152 12.361 9.249 1.246 1.00 0.53 N ATOM 1807 CA THR B 152 12.807 10.630 1.136 1.00 0.65 C ATOM 1808 C THR B 152 14.261 10.778 1.589 1.00 1.20 C ATOM 1809 O THR B 152 14.869 11.838 1.438 1.00 1.89 O ATOM 1810 CB THR B 152 11.917 11.563 1.972 1.00 0.95 C ATOM 1811 OG1 THR B 152 11.913 11.140 3.342 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.493 11.573 1.438 1.00 0.98 C ATOM 0 H THR B 152 11.659 9.090 1.969 1.00 0.53 H new ATOM 0 HA THR B 152 12.733 10.911 0.085 1.00 0.65 H new ATOM 0 HB THR B 152 12.323 12.572 1.904 1.00 0.95 H new ATOM 0 HG1 THR B 152 11.215 10.465 3.474 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.881 12.240 2.045 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.494 11.921 0.405 1.00 0.98 H new ATOM 0 HG23 THR B 152 10.081 10.565 1.480 1.00 0.98 H new ATOM 1820 N ALA B 153 14.812 9.698 2.132 1.00 1.65 N ATOM 1821 CA ALA B 153 16.186 9.683 2.619 1.00 2.19 C ATOM 1822 C ALA B 153 17.177 9.397 1.494 1.00 2.66 C ATOM 1823 O ALA B 153 18.376 9.279 1.742 1.00 3.11 O ATOM 1824 CB ALA B 153 16.332 8.643 3.717 1.00 2.67 C ATOM 0 H ALA B 153 14.321 8.811 2.247 1.00 1.65 H new ATOM 0 HA ALA B 153 16.412 10.671 3.019 1.00 2.19 H new ATOM 0 HB1 ALA B 153 17.361 8.636 4.077 1.00 2.67 H new ATOM 0 HB2 ALA B 153 15.661 8.887 4.541 1.00 2.67 H new ATOM 0 HB3 ALA B 153 16.079 7.659 3.322 1.00 2.67 H new ATOM 1830 N LYS B 154 16.659 9.294 0.265 1.00 3.24 N ATOM 1831 CA LYS B 154 17.476 9.053 -0.932 1.00 4.19 C ATOM 1832 C LYS B 154 18.035 7.633 -0.940 1.00 5.08 C ATOM 1833 O LYS B 154 19.142 7.411 -0.410 1.00 5.70 O ATOM 1834 CB LYS B 154 18.614 10.087 -1.074 1.00 4.91 C ATOM 1835 CG LYS B 154 18.145 11.491 -1.451 1.00 5.18 C ATOM 1836 CD LYS B 154 17.491 12.214 -0.285 1.00 5.46 C ATOM 1837 CE LYS B 154 16.816 13.500 -0.730 1.00 6.30 C ATOM 1838 NZ LYS B 154 16.140 14.180 0.405 1.00 6.99 N ATOM 1839 OXT LYS B 154 17.349 6.735 -1.479 1.00 5.48 O ATOM 0 H LYS B 154 15.661 9.375 0.071 1.00 3.24 H new ATOM 0 HA LYS B 154 16.819 9.169 -1.794 1.00 4.19 H new ATOM 0 HB2 LYS B 154 19.160 10.140 -0.132 1.00 4.91 H new ATOM 0 HB3 LYS B 154 19.316 9.736 -1.830 1.00 4.91 H new ATOM 0 HG2 LYS B 154 18.996 12.073 -1.805 1.00 5.18 H new ATOM 0 HG3 LYS B 154 17.438 11.425 -2.278 1.00 5.18 H new ATOM 0 HD2 LYS B 154 16.755 11.560 0.183 1.00 5.46 H new ATOM 0 HD3 LYS B 154 18.243 12.440 0.471 1.00 5.46 H new ATOM 0 HE2 LYS B 154 17.557 14.169 -1.167 1.00 6.30 H new ATOM 0 HE3 LYS B 154 16.087 13.279 -1.510 1.00 6.30 H new ATOM 0 HZ1 LYS B 154 15.512 14.924 0.040 1.00 6.99 H new ATOM 0 HZ2 LYS B 154 15.580 13.487 0.941 1.00 6.99 H new ATOM 0 HZ3 LYS B 154 16.854 14.606 1.030 1.00 6.99 H new TER 1853 LYS B 154 HETATM 1854 CA CA A 141 -0.995 3.020 7.079 1.00 0.52 CA