USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1072 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 101 MET CE :methyl 156:sc= -0.41 (180deg=-3.11!) USER MOD Set 1.2: A 117 MET CE :methyl -169:sc= -0.331 (180deg=-0.554) USER MOD Set 2.1: A 67 THR OG1 : rot 67:sc= -0.32 USER MOD Set 2.2: A 97 MET CE :methyl 163:sc= -0.081 (180deg=-0.485) USER MOD Set 3.1: A 91 ASN : amide:sc= 0 X(o=0,f=0.061) USER MOD Set 3.2: A 118 THR OG1 : rot -150:sc= 0 USER MOD Set 4.1: A 65 THR OG1 : rot -77:sc= 0.00601 USER MOD Set 4.2: A 68 GLN : amide:sc= 0.291 X(o=0.3,f=0.23) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0752 (180deg=-0.405) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0165 (180deg=-0.142) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -109:sc= 0.0649 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0444) USER MOD Single : A 15 GLN :FLIP amide:sc=-0.00128 F(o=-0.87,f=-0.0013) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0915 (180deg=-0.454) USER MOD Single : A 18 SER OG : rot 180:sc= -0.429 USER MOD Single : A 23 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.54) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc=-0.00195 (180deg=-0.0577) USER MOD Single : A 35 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0724 (180deg=-0.346) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.14) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.147 (180deg=-1.11) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -161:sc= -0.122 (180deg=-1.18) USER MOD Single : A 82 THR OG1 : rot 11:sc= 0.829 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 90 ASN : amide:sc= 0.949 K(o=0.95,f=-0.42) USER MOD Single : A 92 LYS NZ :NH3+ -140:sc= 1.03 (180deg=-0.459) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -33:sc= 0.183 USER MOD Single : A 100 THR OG1 : rot -70:sc= -1.31! USER MOD Single : A 105 TYR OH : rot 19:sc= 1.72 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.899) USER MOD Single : A 116 TYR OH : rot 38:sc= 2.17 USER MOD Single : A 119 TYR OH : rot 70:sc= -0.978 USER MOD Single : A 121 SER OG : rot 16:sc= 0.354 USER MOD Single : A 122 GLN : amide:sc= -0.0347 X(o=-0.035,f=0.097) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -45.379 -12.299 32.670 1.00 29.36 N ATOM 2 CA GLY A -1 -44.814 -11.058 32.091 1.00 29.54 C ATOM 3 C GLY A -1 -43.670 -11.344 31.148 1.00 29.10 C ATOM 4 O GLY A -1 -43.094 -12.433 31.171 1.00 28.91 O ATOM 0 H1 GLY A -1 -46.320 -12.475 32.264 1.00 29.36 H new ATOM 0 H2 GLY A -1 -44.753 -13.100 32.452 1.00 29.36 H new ATOM 0 H3 GLY A -1 -45.461 -12.195 33.701 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -45.596 -10.517 31.558 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -44.468 -10.408 32.894 1.00 29.54 H new ATOM 10 N SER A 0 -43.338 -10.372 30.311 1.00 28.99 N ATOM 11 CA SER A 0 -42.244 -10.515 29.368 1.00 28.64 C ATOM 12 C SER A 0 -41.398 -9.249 29.340 1.00 27.50 C ATOM 13 O SER A 0 -41.327 -8.553 28.327 1.00 27.11 O ATOM 14 CB SER A 0 -42.780 -10.822 27.971 1.00 29.29 C ATOM 15 OG SER A 0 -43.556 -12.012 27.971 1.00 29.85 O ATOM 0 H SER A 0 -43.815 -9.472 30.268 1.00 28.99 H new ATOM 0 HA SER A 0 -41.618 -11.346 29.691 1.00 28.64 H new ATOM 0 HB2 SER A 0 -43.388 -9.988 27.620 1.00 29.29 H new ATOM 0 HB3 SER A 0 -41.949 -10.926 27.274 1.00 29.29 H new ATOM 0 HG SER A 0 -43.889 -12.186 27.066 1.00 29.85 H new ATOM 21 N MET A 1 -40.764 -8.950 30.462 1.00 27.04 N ATOM 22 CA MET A 1 -39.944 -7.754 30.576 1.00 26.01 C ATOM 23 C MET A 1 -38.606 -7.960 29.875 1.00 25.09 C ATOM 24 O MET A 1 -37.946 -8.984 30.066 1.00 25.06 O ATOM 25 CB MET A 1 -39.733 -7.392 32.047 1.00 26.03 C ATOM 26 CG MET A 1 -41.022 -7.011 32.761 1.00 26.09 C ATOM 27 SD MET A 1 -40.761 -6.521 34.476 1.00 26.08 S ATOM 28 CE MET A 1 -40.147 -8.047 35.183 1.00 26.33 C ATOM 0 H MET A 1 -40.801 -9.519 31.308 1.00 27.04 H new ATOM 0 HA MET A 1 -40.462 -6.927 30.090 1.00 26.01 H new ATOM 0 HB2 MET A 1 -39.277 -8.238 32.561 1.00 26.03 H new ATOM 0 HB3 MET A 1 -39.030 -6.562 32.113 1.00 26.03 H new ATOM 0 HG2 MET A 1 -41.500 -6.192 32.224 1.00 26.09 H new ATOM 0 HG3 MET A 1 -41.710 -7.856 32.731 1.00 26.09 H new ATOM 0 HE1 MET A 1 -40.208 -7.995 36.270 1.00 26.33 H new ATOM 0 HE2 MET A 1 -40.749 -8.882 34.825 1.00 26.33 H new ATOM 0 HE3 MET A 1 -39.109 -8.194 34.885 1.00 26.33 H new ATOM 38 N PRO A 2 -38.205 -6.993 29.039 1.00 24.39 N ATOM 39 CA PRO A 2 -36.970 -7.079 28.247 1.00 23.52 C ATOM 40 C PRO A 2 -35.714 -7.085 29.115 1.00 22.82 C ATOM 41 O PRO A 2 -35.615 -6.325 30.080 1.00 22.63 O ATOM 42 CB PRO A 2 -37.011 -5.816 27.380 1.00 23.10 C ATOM 43 CG PRO A 2 -37.903 -4.875 28.111 1.00 23.69 C ATOM 44 CD PRO A 2 -38.924 -5.729 28.799 1.00 24.48 C ATOM 0 HA PRO A 2 -36.923 -8.006 27.676 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -36.014 -5.394 27.250 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -37.398 -6.033 26.384 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -37.339 -4.283 28.832 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -38.378 -4.174 27.425 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -39.264 -5.277 29.731 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -39.806 -5.880 28.177 1.00 24.48 H new ATOM 52 N PRO A 3 -34.744 -7.955 28.788 1.00 22.54 N ATOM 53 CA PRO A 3 -33.466 -8.030 29.508 1.00 21.97 C ATOM 54 C PRO A 3 -32.692 -6.716 29.451 1.00 21.06 C ATOM 55 O PRO A 3 -32.410 -6.195 28.368 1.00 20.64 O ATOM 56 CB PRO A 3 -32.693 -9.128 28.769 1.00 21.96 C ATOM 57 CG PRO A 3 -33.733 -9.919 28.053 1.00 22.48 C ATOM 58 CD PRO A 3 -34.817 -8.943 27.698 1.00 22.87 C ATOM 0 HA PRO A 3 -33.614 -8.235 30.568 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -31.972 -8.702 28.071 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -32.132 -9.752 29.465 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -33.321 -10.388 27.159 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -34.119 -10.719 28.684 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -34.644 -8.484 26.725 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -35.794 -9.424 27.654 1.00 22.87 H new ATOM 66 N PRO A 4 -32.346 -6.156 30.619 1.00 20.84 N ATOM 67 CA PRO A 4 -31.591 -4.905 30.704 1.00 20.09 C ATOM 68 C PRO A 4 -30.122 -5.096 30.328 1.00 19.53 C ATOM 69 O PRO A 4 -29.716 -6.189 29.927 1.00 19.27 O ATOM 70 CB PRO A 4 -31.725 -4.509 32.174 1.00 20.21 C ATOM 71 CG PRO A 4 -31.925 -5.796 32.897 1.00 21.02 C ATOM 72 CD PRO A 4 -32.669 -6.699 31.952 1.00 21.43 C ATOM 0 HA PRO A 4 -31.966 -4.149 30.014 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -30.833 -3.991 32.527 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -32.567 -3.834 32.327 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -30.969 -6.235 33.182 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -32.492 -5.642 33.815 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -32.346 -7.735 32.051 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -33.742 -6.680 32.142 1.00 21.43 H new ATOM 80 N GLN A 5 -29.337 -4.033 30.473 1.00 19.48 N ATOM 81 CA GLN A 5 -27.928 -4.043 30.095 1.00 19.08 C ATOM 82 C GLN A 5 -27.808 -4.276 28.590 1.00 18.23 C ATOM 83 O GLN A 5 -26.991 -5.070 28.121 1.00 17.82 O ATOM 84 CB GLN A 5 -27.154 -5.108 30.888 1.00 19.59 C ATOM 85 CG GLN A 5 -25.642 -4.985 30.779 1.00 19.61 C ATOM 86 CD GLN A 5 -24.914 -6.027 31.604 1.00 20.26 C ATOM 87 OE1 GLN A 5 -24.607 -7.119 31.121 1.00 20.54 O ATOM 88 NE2 GLN A 5 -24.643 -5.707 32.856 1.00 20.60 N ATOM 0 H GLN A 5 -29.658 -3.143 30.855 1.00 19.48 H new ATOM 0 HA GLN A 5 -27.486 -3.077 30.337 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -27.439 -5.042 31.938 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -27.454 -6.096 30.538 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -25.347 -5.083 29.734 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -25.337 -3.990 31.105 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -24.913 -4.793 33.219 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -24.163 -6.374 33.460 1.00 20.60 H new ATOM 97 N LYS A 6 -28.659 -3.589 27.842 1.00 18.08 N ATOM 98 CA LYS A 6 -28.649 -3.670 26.393 1.00 17.42 C ATOM 99 C LYS A 6 -27.564 -2.754 25.844 1.00 16.78 C ATOM 100 O LYS A 6 -27.746 -1.540 25.760 1.00 16.87 O ATOM 101 CB LYS A 6 -30.019 -3.276 25.831 1.00 17.87 C ATOM 102 CG LYS A 6 -30.128 -3.403 24.319 1.00 18.15 C ATOM 103 CD LYS A 6 -31.504 -2.980 23.825 1.00 18.50 C ATOM 104 CE LYS A 6 -31.647 -3.154 22.322 1.00 18.81 C ATOM 105 NZ LYS A 6 -30.665 -2.331 21.568 1.00 18.97 N ATOM 0 H LYS A 6 -29.371 -2.964 28.221 1.00 18.08 H new ATOM 0 HA LYS A 6 -28.438 -4.695 26.089 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -30.783 -3.901 26.294 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -30.234 -2.246 26.115 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -29.364 -2.787 23.844 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -29.935 -4.434 24.024 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -32.268 -3.569 24.333 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -31.679 -1.937 24.088 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -31.512 -4.205 22.065 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -32.658 -2.879 22.020 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -30.904 -2.346 20.556 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -30.693 -1.351 21.916 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -29.710 -2.719 21.704 1.00 18.97 H new ATOM 119 N ILE A 7 -26.427 -3.333 25.503 1.00 16.28 N ATOM 120 CA ILE A 7 -25.304 -2.562 25.002 1.00 15.80 C ATOM 121 C ILE A 7 -25.237 -2.648 23.483 1.00 15.32 C ATOM 122 O ILE A 7 -24.900 -3.694 22.925 1.00 15.18 O ATOM 123 CB ILE A 7 -23.973 -3.045 25.618 1.00 15.71 C ATOM 124 CG1 ILE A 7 -24.024 -2.902 27.142 1.00 16.07 C ATOM 125 CG2 ILE A 7 -22.801 -2.260 25.044 1.00 15.48 C ATOM 126 CD1 ILE A 7 -22.772 -3.379 27.843 1.00 16.36 C ATOM 0 H ILE A 7 -26.257 -4.337 25.564 1.00 16.28 H new ATOM 0 HA ILE A 7 -25.457 -1.523 25.294 1.00 15.80 H new ATOM 0 HB ILE A 7 -23.830 -4.096 25.368 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -24.193 -1.855 27.394 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -24.878 -3.463 27.522 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -21.872 -2.615 25.490 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -22.762 -2.402 23.964 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -22.929 -1.201 25.266 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -22.884 -3.246 28.919 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -22.611 -4.434 27.623 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -21.917 -2.801 27.493 1.00 16.36 H new ATOM 138 N PRO A 8 -25.580 -1.551 22.795 1.00 15.19 N ATOM 139 CA PRO A 8 -25.584 -1.506 21.335 1.00 14.91 C ATOM 140 C PRO A 8 -24.176 -1.436 20.750 1.00 14.32 C ATOM 141 O PRO A 8 -23.508 -0.406 20.826 1.00 14.51 O ATOM 142 CB PRO A 8 -26.366 -0.229 21.022 1.00 15.11 C ATOM 143 CG PRO A 8 -26.149 0.651 22.205 1.00 15.30 C ATOM 144 CD PRO A 8 -25.990 -0.264 23.389 1.00 15.48 C ATOM 0 HA PRO A 8 -26.022 -2.404 20.900 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -26.005 0.242 20.108 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -27.425 -0.440 20.875 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -25.263 1.271 22.071 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -26.992 1.327 22.347 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -25.240 0.111 24.085 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -26.922 -0.361 23.946 1.00 15.48 H new ATOM 152 N SER A 9 -23.729 -2.537 20.168 1.00 13.73 N ATOM 153 CA SER A 9 -22.431 -2.584 19.514 1.00 13.20 C ATOM 154 C SER A 9 -22.547 -2.067 18.081 1.00 12.19 C ATOM 155 O SER A 9 -22.050 -2.682 17.136 1.00 11.80 O ATOM 156 CB SER A 9 -21.896 -4.016 19.523 1.00 13.42 C ATOM 157 OG SER A 9 -21.868 -4.543 20.840 1.00 13.76 O ATOM 0 H SER A 9 -24.249 -3.414 20.135 1.00 13.73 H new ATOM 0 HA SER A 9 -21.734 -1.946 20.058 1.00 13.20 H new ATOM 0 HB2 SER A 9 -22.521 -4.645 18.890 1.00 13.42 H new ATOM 0 HB3 SER A 9 -20.892 -4.035 19.099 1.00 13.42 H new ATOM 0 HG SER A 9 -21.524 -5.460 20.818 1.00 13.76 H new ATOM 163 N VAL A 10 -23.214 -0.932 17.929 1.00 11.94 N ATOM 164 CA VAL A 10 -23.437 -0.346 16.621 1.00 11.10 C ATOM 165 C VAL A 10 -22.326 0.642 16.292 1.00 10.38 C ATOM 166 O VAL A 10 -22.363 1.798 16.712 1.00 10.56 O ATOM 167 CB VAL A 10 -24.804 0.372 16.545 1.00 11.34 C ATOM 168 CG1 VAL A 10 -25.076 0.872 15.132 1.00 11.49 C ATOM 169 CG2 VAL A 10 -25.922 -0.548 17.013 1.00 11.93 C ATOM 0 H VAL A 10 -23.611 -0.398 18.702 1.00 11.94 H new ATOM 0 HA VAL A 10 -23.436 -1.157 15.893 1.00 11.10 H new ATOM 0 HB VAL A 10 -24.770 1.235 17.210 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -26.043 1.374 15.103 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -24.295 1.573 14.837 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -25.085 0.028 14.443 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -26.875 -0.023 16.951 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -25.954 -1.434 16.378 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -25.739 -0.847 18.045 1.00 11.93 H new ATOM 179 N ARG A 11 -21.327 0.169 15.569 1.00 9.76 N ATOM 180 CA ARG A 11 -20.207 1.005 15.169 1.00 9.19 C ATOM 181 C ARG A 11 -20.222 1.211 13.660 1.00 8.44 C ATOM 182 O ARG A 11 -19.690 0.392 12.910 1.00 8.32 O ATOM 183 CB ARG A 11 -18.888 0.361 15.601 1.00 9.37 C ATOM 184 CG ARG A 11 -18.778 0.136 17.102 1.00 9.61 C ATOM 185 CD ARG A 11 -18.718 1.449 17.864 1.00 10.18 C ATOM 186 NE ARG A 11 -17.530 2.225 17.514 1.00 10.69 N ATOM 187 CZ ARG A 11 -17.124 3.309 18.171 1.00 11.43 C ATOM 188 NH1 ARG A 11 -17.807 3.756 19.220 1.00 11.75 N ATOM 189 NH2 ARG A 11 -16.026 3.942 17.783 1.00 12.04 N ATOM 0 H ARG A 11 -21.268 -0.796 15.244 1.00 9.76 H new ATOM 0 HA ARG A 11 -20.299 1.975 15.657 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -18.777 -0.596 15.090 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -18.062 0.994 15.276 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -19.633 -0.446 17.446 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -17.885 -0.451 17.318 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -19.612 2.035 17.649 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -18.718 1.248 18.935 1.00 10.18 H new ATOM 0 HE ARG A 11 -16.976 1.916 16.715 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -18.648 3.268 19.526 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -17.490 4.587 19.719 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -15.495 3.598 16.983 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -15.712 4.773 18.284 1.00 12.04 H new ATOM 203 N PRO A 12 -20.859 2.292 13.190 1.00 8.19 N ATOM 204 CA PRO A 12 -20.935 2.609 11.765 1.00 7.75 C ATOM 205 C PRO A 12 -19.600 3.103 11.220 1.00 6.80 C ATOM 206 O PRO A 12 -18.861 3.813 11.908 1.00 6.68 O ATOM 207 CB PRO A 12 -21.989 3.725 11.688 1.00 8.08 C ATOM 208 CG PRO A 12 -22.607 3.794 13.045 1.00 8.79 C ATOM 209 CD PRO A 12 -21.567 3.289 13.999 1.00 8.66 C ATOM 0 HA PRO A 12 -21.190 1.733 11.169 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -21.532 4.677 11.418 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -22.738 3.504 10.928 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -22.898 4.816 13.290 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -23.510 3.185 13.094 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -20.903 4.085 14.336 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -22.013 2.847 14.890 1.00 8.66 H new ATOM 217 N PHE A 13 -19.292 2.726 9.990 1.00 6.42 N ATOM 218 CA PHE A 13 -18.059 3.150 9.343 1.00 5.76 C ATOM 219 C PHE A 13 -18.360 3.790 7.995 1.00 4.90 C ATOM 220 O PHE A 13 -19.278 3.365 7.288 1.00 4.75 O ATOM 221 CB PHE A 13 -17.107 1.966 9.149 1.00 6.03 C ATOM 222 CG PHE A 13 -16.531 1.423 10.426 1.00 7.08 C ATOM 223 CD1 PHE A 13 -15.445 2.037 11.025 1.00 7.67 C ATOM 224 CD2 PHE A 13 -17.071 0.296 11.021 1.00 7.73 C ATOM 225 CE1 PHE A 13 -14.909 1.538 12.196 1.00 8.79 C ATOM 226 CE2 PHE A 13 -16.539 -0.209 12.192 1.00 8.84 C ATOM 227 CZ PHE A 13 -15.457 0.414 12.781 1.00 9.33 C ATOM 0 H PHE A 13 -19.882 2.124 9.416 1.00 6.42 H new ATOM 0 HA PHE A 13 -17.577 3.883 9.990 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -17.640 1.166 8.635 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -16.290 2.274 8.497 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -15.012 2.916 10.572 1.00 7.67 H new ATOM 0 HD2 PHE A 13 -17.918 -0.194 10.565 1.00 7.73 H new ATOM 0 HE1 PHE A 13 -14.062 2.027 12.654 1.00 8.79 H new ATOM 0 HE2 PHE A 13 -16.969 -1.090 12.646 1.00 8.84 H new ATOM 0 HZ PHE A 13 -15.040 0.023 13.697 1.00 9.33 H new ATOM 237 N LYS A 14 -17.594 4.813 7.653 1.00 4.79 N ATOM 238 CA LYS A 14 -17.733 5.478 6.367 1.00 4.42 C ATOM 239 C LYS A 14 -16.354 5.824 5.814 1.00 3.77 C ATOM 240 O LYS A 14 -16.126 6.923 5.304 1.00 4.11 O ATOM 241 CB LYS A 14 -18.603 6.737 6.496 1.00 5.56 C ATOM 242 CG LYS A 14 -18.012 7.821 7.388 1.00 6.23 C ATOM 243 CD LYS A 14 -18.893 9.060 7.403 1.00 6.88 C ATOM 244 CE LYS A 14 -18.194 10.242 8.055 1.00 7.76 C ATOM 245 NZ LYS A 14 -17.749 9.943 9.440 1.00 8.26 N ATOM 0 H LYS A 14 -16.866 5.203 8.251 1.00 4.79 H new ATOM 0 HA LYS A 14 -18.230 4.802 5.672 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -18.770 7.152 5.502 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -19.578 6.451 6.890 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -17.899 7.439 8.403 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -17.015 8.084 7.034 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -19.171 9.320 6.382 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -19.817 8.843 7.940 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -17.332 10.528 7.453 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -18.870 11.097 8.070 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -17.386 10.811 9.883 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -18.553 9.582 9.993 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -16.996 9.226 9.416 1.00 8.26 H new ATOM 259 N GLN A 15 -15.436 4.871 5.929 1.00 3.29 N ATOM 260 CA GLN A 15 -14.069 5.052 5.458 1.00 3.10 C ATOM 261 C GLN A 15 -14.043 5.100 3.933 1.00 2.14 C ATOM 262 O GLN A 15 -13.944 4.069 3.264 1.00 2.46 O ATOM 263 CB GLN A 15 -13.176 3.923 5.977 1.00 3.83 C ATOM 264 CG GLN A 15 -13.098 3.864 7.496 1.00 4.82 C ATOM 265 CD GLN A 15 -12.219 2.736 8.008 1.00 5.82 C ATOM 266 OE1 GLN A 15 -12.173 1.631 7.281 1.00 6.53 O flip ATOM 267 NE2 GLN A 15 -11.595 2.853 9.063 1.00 6.14 N flip ATOM 0 H GLN A 15 -15.616 3.959 6.348 1.00 3.29 H new ATOM 0 HA GLN A 15 -13.685 5.997 5.841 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -13.552 2.971 5.603 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -12.171 4.050 5.574 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -12.714 4.813 7.871 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -14.103 3.745 7.900 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -11.654 3.720 9.597 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -11.019 2.083 9.403 1.00 6.14 H new ATOM 276 N ARG A 16 -14.139 6.304 3.399 1.00 1.86 N ATOM 277 CA ARG A 16 -14.273 6.502 1.966 1.00 1.88 C ATOM 278 C ARG A 16 -13.109 7.317 1.418 1.00 1.53 C ATOM 279 O ARG A 16 -12.489 8.103 2.141 1.00 1.61 O ATOM 280 CB ARG A 16 -15.593 7.207 1.655 1.00 2.83 C ATOM 281 CG ARG A 16 -15.732 8.564 2.328 1.00 3.53 C ATOM 282 CD ARG A 16 -17.036 9.245 1.958 1.00 4.61 C ATOM 283 NE ARG A 16 -17.150 9.455 0.519 1.00 5.06 N ATOM 284 CZ ARG A 16 -17.964 10.343 -0.041 1.00 6.06 C ATOM 285 NH1 ARG A 16 -18.743 11.103 0.717 1.00 6.69 N ATOM 286 NH2 ARG A 16 -18.001 10.468 -1.362 1.00 6.68 N ATOM 0 H ARG A 16 -14.127 7.168 3.942 1.00 1.86 H new ATOM 0 HA ARG A 16 -14.265 5.524 1.485 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -15.681 7.335 0.576 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -16.419 6.569 1.969 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -15.681 8.440 3.410 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -14.895 9.200 2.040 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -17.873 8.639 2.304 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -17.103 10.204 2.471 1.00 4.61 H new ATOM 0 HE ARG A 16 -16.569 8.885 -0.095 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -18.718 11.006 1.732 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -19.367 11.784 0.285 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -17.405 9.882 -1.947 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -18.626 11.150 -1.792 1.00 6.68 H new ATOM 300 N LYS A 17 -12.820 7.122 0.143 1.00 1.34 N ATOM 301 CA LYS A 17 -11.760 7.855 -0.529 1.00 1.09 C ATOM 302 C LYS A 17 -11.985 7.869 -2.037 1.00 1.00 C ATOM 303 O LYS A 17 -12.123 6.817 -2.667 1.00 1.08 O ATOM 304 CB LYS A 17 -10.403 7.223 -0.217 1.00 1.13 C ATOM 305 CG LYS A 17 -10.373 5.723 -0.468 1.00 1.70 C ATOM 306 CD LYS A 17 -8.998 5.135 -0.229 1.00 2.23 C ATOM 307 CE LYS A 17 -9.014 3.621 -0.358 1.00 3.20 C ATOM 308 NZ LYS A 17 -9.915 2.995 0.642 1.00 3.96 N ATOM 0 H LYS A 17 -13.310 6.455 -0.453 1.00 1.34 H new ATOM 0 HA LYS A 17 -11.772 8.882 -0.164 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.637 7.703 -0.826 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -10.150 7.416 0.825 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -11.096 5.232 0.184 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -10.680 5.521 -1.494 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -8.291 5.555 -0.944 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -8.649 5.414 0.765 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -9.336 3.345 -1.362 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -8.003 3.234 -0.230 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -9.681 1.986 0.737 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -9.794 3.466 1.561 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -10.902 3.093 0.330 1.00 3.96 H new ATOM 322 N SER A 18 -12.054 9.057 -2.603 1.00 0.92 N ATOM 323 CA SER A 18 -12.072 9.209 -4.046 1.00 0.91 C ATOM 324 C SER A 18 -10.655 9.449 -4.544 1.00 0.80 C ATOM 325 O SER A 18 -9.717 9.479 -3.745 1.00 0.72 O ATOM 326 CB SER A 18 -12.982 10.370 -4.451 1.00 0.97 C ATOM 327 OG SER A 18 -12.543 11.588 -3.876 1.00 0.91 O ATOM 0 H SER A 18 -12.099 9.934 -2.085 1.00 0.92 H new ATOM 0 HA SER A 18 -12.464 8.298 -4.498 1.00 0.91 H new ATOM 0 HB2 SER A 18 -12.997 10.462 -5.537 1.00 0.97 H new ATOM 0 HB3 SER A 18 -14.004 10.162 -4.134 1.00 0.97 H new ATOM 0 HG SER A 18 -13.141 12.314 -4.152 1.00 0.91 H new ATOM 333 N LEU A 19 -10.490 9.644 -5.841 1.00 0.83 N ATOM 334 CA LEU A 19 -9.185 9.980 -6.386 1.00 0.79 C ATOM 335 C LEU A 19 -8.763 11.355 -5.882 1.00 0.74 C ATOM 336 O LEU A 19 -7.641 11.548 -5.408 1.00 0.66 O ATOM 337 CB LEU A 19 -9.222 9.963 -7.915 1.00 0.91 C ATOM 338 CG LEU A 19 -7.989 10.548 -8.600 1.00 0.95 C ATOM 339 CD1 LEU A 19 -6.739 9.751 -8.247 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.188 10.589 -10.105 1.00 1.11 C ATOM 0 H LEU A 19 -11.237 9.576 -6.532 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.459 9.237 -6.055 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.349 8.933 -8.248 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.100 10.516 -8.248 1.00 0.91 H new ATOM 0 HG LEU A 19 -7.852 11.568 -8.240 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -5.875 10.188 -8.748 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.584 9.776 -7.168 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -6.862 8.718 -8.572 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -7.300 11.009 -10.578 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.354 9.578 -10.478 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.052 11.210 -10.341 1.00 1.11 H new ATOM 352 N ALA A 20 -9.686 12.300 -5.977 1.00 0.80 N ATOM 353 CA ALA A 20 -9.461 13.655 -5.503 1.00 0.81 C ATOM 354 C ALA A 20 -9.122 13.682 -4.018 1.00 0.72 C ATOM 355 O ALA A 20 -8.166 14.338 -3.606 1.00 0.71 O ATOM 356 CB ALA A 20 -10.683 14.513 -5.788 1.00 0.94 C ATOM 0 H ALA A 20 -10.609 12.149 -6.384 1.00 0.80 H new ATOM 0 HA ALA A 20 -8.604 14.063 -6.040 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.507 15.527 -5.430 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -10.870 14.535 -6.862 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.550 14.093 -5.277 1.00 0.94 H new ATOM 362 N ILE A 21 -9.896 12.957 -3.216 1.00 0.71 N ATOM 363 CA ILE A 21 -9.655 12.897 -1.779 1.00 0.69 C ATOM 364 C ILE A 21 -8.333 12.191 -1.477 1.00 0.56 C ATOM 365 O ILE A 21 -7.668 12.489 -0.486 1.00 0.53 O ATOM 366 CB ILE A 21 -10.803 12.186 -1.030 1.00 0.82 C ATOM 367 CG1 ILE A 21 -12.104 12.981 -1.171 1.00 0.97 C ATOM 368 CG2 ILE A 21 -10.447 12.009 0.438 1.00 0.88 C ATOM 369 CD1 ILE A 21 -13.297 12.314 -0.519 1.00 1.64 C ATOM 0 H ILE A 21 -10.692 12.405 -3.535 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.604 13.927 -1.425 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.949 11.201 -1.473 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.966 13.969 -0.731 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.316 13.130 -2.230 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -11.266 11.506 0.953 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -9.542 11.408 0.523 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -10.278 12.986 0.892 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -14.182 12.934 -0.659 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -13.462 11.338 -0.975 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -13.107 12.189 0.547 1.00 1.64 H new ATOM 381 N ARG A 22 -7.947 11.269 -2.343 1.00 0.52 N ATOM 382 CA ARG A 22 -6.694 10.543 -2.172 1.00 0.44 C ATOM 383 C ARG A 22 -5.529 11.488 -2.403 1.00 0.40 C ATOM 384 O ARG A 22 -4.533 11.456 -1.685 1.00 0.39 O ATOM 385 CB ARG A 22 -6.636 9.364 -3.142 1.00 0.45 C ATOM 386 CG ARG A 22 -5.664 8.273 -2.738 1.00 0.71 C ATOM 387 CD ARG A 22 -6.048 7.656 -1.406 1.00 1.22 C ATOM 388 NE ARG A 22 -5.372 6.383 -1.179 1.00 1.53 N ATOM 389 CZ ARG A 22 -5.534 5.649 -0.087 1.00 2.00 C ATOM 390 NH1 ARG A 22 -6.252 6.115 0.931 1.00 2.59 N ATOM 391 NH2 ARG A 22 -4.953 4.459 0.004 1.00 2.26 N ATOM 0 H ARG A 22 -8.480 11.004 -3.171 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.634 10.151 -1.157 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -7.633 8.932 -3.231 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -6.360 9.734 -4.129 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -5.642 7.500 -3.506 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -4.657 8.686 -2.673 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -5.799 8.347 -0.601 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -7.127 7.504 -1.374 1.00 1.22 H new ATOM 0 HE ARG A 22 -4.739 6.039 -1.901 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.680 7.039 0.873 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -6.375 5.548 1.770 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -4.382 4.110 -0.766 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -5.077 3.894 0.844 1.00 2.26 H new ATOM 405 N GLN A 23 -5.682 12.353 -3.393 1.00 0.46 N ATOM 406 CA GLN A 23 -4.717 13.411 -3.627 1.00 0.51 C ATOM 407 C GLN A 23 -4.724 14.391 -2.456 1.00 0.50 C ATOM 408 O GLN A 23 -3.701 14.988 -2.139 1.00 0.52 O ATOM 409 CB GLN A 23 -5.003 14.124 -4.950 1.00 0.68 C ATOM 410 CG GLN A 23 -4.820 13.218 -6.159 1.00 1.29 C ATOM 411 CD GLN A 23 -5.046 13.927 -7.479 1.00 1.51 C ATOM 412 OE1 GLN A 23 -4.799 15.124 -7.610 1.00 2.16 O ATOM 413 NE2 GLN A 23 -5.513 13.186 -8.470 1.00 1.97 N ATOM 0 H GLN A 23 -6.465 12.342 -4.046 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.722 12.971 -3.701 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -6.024 14.506 -4.939 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -4.342 14.985 -5.044 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -3.812 12.804 -6.145 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -5.511 12.378 -6.083 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -5.705 12.196 -8.320 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -5.681 13.605 -9.385 1.00 1.97 H new ATOM 422 N GLU A 24 -5.881 14.545 -1.810 1.00 0.53 N ATOM 423 CA GLU A 24 -5.977 15.367 -0.609 1.00 0.59 C ATOM 424 C GLU A 24 -5.202 14.735 0.536 1.00 0.55 C ATOM 425 O GLU A 24 -4.478 15.422 1.259 1.00 0.54 O ATOM 426 CB GLU A 24 -7.429 15.550 -0.189 1.00 0.71 C ATOM 427 CG GLU A 24 -8.187 16.566 -1.020 1.00 1.20 C ATOM 428 CD GLU A 24 -9.570 16.834 -0.473 1.00 2.01 C ATOM 429 OE1 GLU A 24 -9.678 17.517 0.570 1.00 2.83 O ATOM 430 OE2 GLU A 24 -10.556 16.368 -1.075 1.00 2.49 O ATOM 0 H GLU A 24 -6.759 14.113 -2.099 1.00 0.53 H new ATOM 0 HA GLU A 24 -5.548 16.342 -0.842 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.939 14.589 -0.254 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.458 15.856 0.857 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.624 17.499 -1.052 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -8.267 16.206 -2.046 1.00 1.20 H new ATOM 437 N GLU A 25 -5.374 13.427 0.702 1.00 0.56 N ATOM 438 CA GLU A 25 -4.624 12.679 1.704 1.00 0.56 C ATOM 439 C GLU A 25 -3.134 12.842 1.469 1.00 0.49 C ATOM 440 O GLU A 25 -2.383 13.164 2.386 1.00 0.50 O ATOM 441 CB GLU A 25 -4.956 11.183 1.656 1.00 0.62 C ATOM 442 CG GLU A 25 -6.364 10.819 2.092 1.00 1.29 C ATOM 443 CD GLU A 25 -6.521 9.325 2.291 1.00 1.57 C ATOM 444 OE1 GLU A 25 -6.003 8.803 3.303 1.00 1.87 O ATOM 445 OE2 GLU A 25 -7.164 8.660 1.447 1.00 2.30 O ATOM 0 H GLU A 25 -6.026 12.864 0.156 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.905 13.076 2.680 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -4.805 10.826 0.637 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.247 10.649 2.289 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -6.602 11.337 3.021 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -7.077 11.163 1.343 1.00 1.29 H new ATOM 452 N VAL A 26 -2.719 12.639 0.225 1.00 0.44 N ATOM 453 CA VAL A 26 -1.316 12.775 -0.136 1.00 0.42 C ATOM 454 C VAL A 26 -0.827 14.204 0.083 1.00 0.44 C ATOM 455 O VAL A 26 0.289 14.419 0.550 1.00 0.46 O ATOM 456 CB VAL A 26 -1.059 12.325 -1.596 1.00 0.43 C ATOM 457 CG1 VAL A 26 -0.806 13.490 -2.546 1.00 1.21 C ATOM 458 CG2 VAL A 26 0.096 11.341 -1.638 1.00 0.85 C ATOM 0 H VAL A 26 -3.333 12.380 -0.548 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.747 12.117 0.520 1.00 0.42 H new ATOM 0 HB VAL A 26 -1.970 11.839 -1.945 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -0.633 13.108 -3.552 1.00 1.21 H new ATOM 0 HG12 VAL A 26 -1.674 14.149 -2.552 1.00 1.21 H new ATOM 0 HG13 VAL A 26 0.070 14.047 -2.214 1.00 1.21 H new ATOM 0 HG21 VAL A 26 0.271 11.029 -2.668 1.00 0.85 H new ATOM 0 HG22 VAL A 26 0.994 11.818 -1.246 1.00 0.85 H new ATOM 0 HG23 VAL A 26 -0.147 10.469 -1.031 1.00 0.85 H new ATOM 468 N ALA A 27 -1.678 15.168 -0.240 1.00 0.46 N ATOM 469 CA ALA A 27 -1.359 16.576 -0.033 1.00 0.51 C ATOM 470 C ALA A 27 -1.113 16.858 1.445 1.00 0.54 C ATOM 471 O ALA A 27 -0.126 17.502 1.807 1.00 0.59 O ATOM 472 CB ALA A 27 -2.477 17.462 -0.563 1.00 0.55 C ATOM 0 H ALA A 27 -2.598 15.001 -0.648 1.00 0.46 H new ATOM 0 HA ALA A 27 -0.447 16.804 -0.585 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -2.220 18.509 -0.399 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.608 17.283 -1.630 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -3.404 17.230 -0.040 1.00 0.55 H new ATOM 478 N GLY A 28 -2.000 16.355 2.295 1.00 0.54 N ATOM 479 CA GLY A 28 -1.838 16.527 3.727 1.00 0.59 C ATOM 480 C GLY A 28 -0.603 15.821 4.243 1.00 0.58 C ATOM 481 O GLY A 28 0.146 16.371 5.054 1.00 0.65 O ATOM 0 H GLY A 28 -2.830 15.830 2.018 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.773 17.590 3.960 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.718 16.141 4.241 1.00 0.59 H new ATOM 485 N ILE A 29 -0.386 14.605 3.757 1.00 0.52 N ATOM 486 CA ILE A 29 0.791 13.827 4.122 1.00 0.53 C ATOM 487 C ILE A 29 2.074 14.557 3.733 1.00 0.53 C ATOM 488 O ILE A 29 2.982 14.695 4.548 1.00 0.58 O ATOM 489 CB ILE A 29 0.763 12.432 3.458 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.383 11.599 4.040 1.00 0.53 C ATOM 491 CG2 ILE A 29 2.097 11.719 3.642 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.652 10.314 3.288 1.00 0.53 C ATOM 0 H ILE A 29 -1.014 14.134 3.105 1.00 0.52 H new ATOM 0 HA ILE A 29 0.774 13.700 5.204 1.00 0.53 H new ATOM 0 HB ILE A 29 0.596 12.557 2.388 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.154 11.359 5.078 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.291 12.202 4.045 1.00 0.53 H new ATOM 0 HG21 ILE A 29 2.054 10.739 3.167 1.00 0.57 H new ATOM 0 HG22 ILE A 29 2.891 12.310 3.185 1.00 0.57 H new ATOM 0 HG23 ILE A 29 2.301 11.598 4.706 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.477 9.781 3.761 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -0.914 10.545 2.255 1.00 0.53 H new ATOM 0 HD13 ILE A 29 0.241 9.689 3.305 1.00 0.53 H new ATOM 504 N ARG A 30 2.136 15.036 2.494 1.00 0.53 N ATOM 505 CA ARG A 30 3.304 15.767 2.007 1.00 0.59 C ATOM 506 C ARG A 30 3.527 17.044 2.811 1.00 0.67 C ATOM 507 O ARG A 30 4.663 17.472 3.017 1.00 0.74 O ATOM 508 CB ARG A 30 3.146 16.123 0.528 1.00 0.66 C ATOM 509 CG ARG A 30 3.256 14.936 -0.416 1.00 1.04 C ATOM 510 CD ARG A 30 2.992 15.364 -1.850 1.00 1.50 C ATOM 511 NE ARG A 30 3.177 14.275 -2.809 1.00 1.96 N ATOM 512 CZ ARG A 30 2.633 14.261 -4.026 1.00 2.66 C ATOM 513 NH1 ARG A 30 1.833 15.251 -4.411 1.00 3.06 N ATOM 514 NH2 ARG A 30 2.880 13.252 -4.851 1.00 3.31 N ATOM 0 H ARG A 30 1.390 14.931 1.807 1.00 0.53 H new ATOM 0 HA ARG A 30 4.169 15.115 2.129 1.00 0.59 H new ATOM 0 HB2 ARG A 30 2.177 16.600 0.383 1.00 0.66 H new ATOM 0 HB3 ARG A 30 3.906 16.857 0.260 1.00 0.66 H new ATOM 0 HG2 ARG A 30 4.250 14.495 -0.340 1.00 1.04 H new ATOM 0 HG3 ARG A 30 2.543 14.165 -0.124 1.00 1.04 H new ATOM 0 HD2 ARG A 30 1.973 15.743 -1.930 1.00 1.50 H new ATOM 0 HD3 ARG A 30 3.659 16.186 -2.108 1.00 1.50 H new ATOM 0 HE ARG A 30 3.755 13.482 -2.531 1.00 1.96 H new ATOM 0 HH11 ARG A 30 1.635 16.023 -3.775 1.00 3.06 H new ATOM 0 HH12 ARG A 30 1.418 15.238 -5.343 1.00 3.06 H new ATOM 0 HH21 ARG A 30 3.486 12.487 -4.554 1.00 3.31 H new ATOM 0 HH22 ARG A 30 2.464 13.241 -5.782 1.00 3.31 H new ATOM 528 N ALA A 31 2.435 17.644 3.263 1.00 0.69 N ATOM 529 CA ALA A 31 2.501 18.878 4.032 1.00 0.81 C ATOM 530 C ALA A 31 3.070 18.632 5.423 1.00 0.80 C ATOM 531 O ALA A 31 3.751 19.489 5.983 1.00 0.90 O ATOM 532 CB ALA A 31 1.120 19.509 4.129 1.00 0.91 C ATOM 0 H ALA A 31 1.489 17.294 3.109 1.00 0.69 H new ATOM 0 HA ALA A 31 3.170 19.565 3.514 1.00 0.81 H new ATOM 0 HB1 ALA A 31 1.181 20.431 4.706 1.00 0.91 H new ATOM 0 HB2 ALA A 31 0.750 19.731 3.128 1.00 0.91 H new ATOM 0 HB3 ALA A 31 0.438 18.817 4.622 1.00 0.91 H new ATOM 538 N LYS A 32 2.791 17.463 5.980 1.00 0.71 N ATOM 539 CA LYS A 32 3.243 17.144 7.325 1.00 0.74 C ATOM 540 C LYS A 32 4.570 16.393 7.310 1.00 0.67 C ATOM 541 O LYS A 32 5.462 16.682 8.107 1.00 0.67 O ATOM 542 CB LYS A 32 2.187 16.321 8.063 1.00 0.78 C ATOM 543 CG LYS A 32 0.851 17.034 8.225 1.00 1.55 C ATOM 544 CD LYS A 32 1.002 18.379 8.926 1.00 1.87 C ATOM 545 CE LYS A 32 1.596 18.232 10.321 1.00 2.30 C ATOM 546 NZ LYS A 32 0.705 17.466 11.231 1.00 3.00 N ATOM 0 H LYS A 32 2.257 16.723 5.524 1.00 0.71 H new ATOM 0 HA LYS A 32 3.396 18.087 7.850 1.00 0.74 H new ATOM 0 HB2 LYS A 32 2.026 15.387 7.524 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.569 16.058 9.049 1.00 0.78 H new ATOM 0 HG2 LYS A 32 0.400 17.185 7.244 1.00 1.55 H new ATOM 0 HG3 LYS A 32 0.170 16.402 8.795 1.00 1.55 H new ATOM 0 HD2 LYS A 32 1.639 19.030 8.328 1.00 1.87 H new ATOM 0 HD3 LYS A 32 0.028 18.863 8.996 1.00 1.87 H new ATOM 0 HE2 LYS A 32 2.561 17.730 10.252 1.00 2.30 H new ATOM 0 HE3 LYS A 32 1.780 19.220 10.742 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 1.090 17.491 12.197 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -0.244 17.891 11.226 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 0.645 16.479 10.908 1.00 3.00 H new ATOM 560 N PHE A 33 4.704 15.445 6.398 1.00 0.62 N ATOM 561 CA PHE A 33 5.891 14.601 6.339 1.00 0.56 C ATOM 562 C PHE A 33 6.491 14.594 4.932 1.00 0.50 C ATOM 563 O PHE A 33 6.322 13.630 4.185 1.00 0.47 O ATOM 564 CB PHE A 33 5.542 13.165 6.752 1.00 0.56 C ATOM 565 CG PHE A 33 4.932 13.043 8.118 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.730 13.038 9.249 1.00 1.21 C ATOM 567 CD2 PHE A 33 3.560 12.923 8.269 1.00 1.42 C ATOM 568 CE1 PHE A 33 5.171 12.920 10.507 1.00 1.30 C ATOM 569 CE2 PHE A 33 2.995 12.803 9.524 1.00 1.49 C ATOM 570 CZ PHE A 33 3.802 12.801 10.643 1.00 0.93 C ATOM 0 H PHE A 33 4.004 15.238 5.685 1.00 0.62 H new ATOM 0 HA PHE A 33 6.627 15.011 7.031 1.00 0.56 H new ATOM 0 HB2 PHE A 33 4.851 12.747 6.020 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.448 12.560 6.717 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.801 13.127 9.147 1.00 1.21 H new ATOM 0 HD2 PHE A 33 2.925 12.923 7.396 1.00 1.42 H new ATOM 0 HE1 PHE A 33 5.804 12.921 11.382 1.00 1.30 H new ATOM 0 HE2 PHE A 33 1.924 12.711 9.629 1.00 1.49 H new ATOM 0 HZ PHE A 33 3.363 12.706 11.625 1.00 0.93 H new ATOM 580 N PRO A 34 7.210 15.661 4.553 1.00 0.55 N ATOM 581 CA PRO A 34 7.802 15.783 3.215 1.00 0.55 C ATOM 582 C PRO A 34 8.930 14.783 2.962 1.00 0.48 C ATOM 583 O PRO A 34 9.173 14.383 1.824 1.00 0.52 O ATOM 584 CB PRO A 34 8.347 17.210 3.192 1.00 0.68 C ATOM 585 CG PRO A 34 8.568 17.558 4.621 1.00 0.74 C ATOM 586 CD PRO A 34 7.495 16.841 5.389 1.00 0.66 C ATOM 0 HA PRO A 34 7.067 15.574 2.438 1.00 0.55 H new ATOM 0 HB2 PRO A 34 9.275 17.270 2.623 1.00 0.68 H new ATOM 0 HB3 PRO A 34 7.641 17.895 2.723 1.00 0.68 H new ATOM 0 HG2 PRO A 34 9.559 17.246 4.950 1.00 0.74 H new ATOM 0 HG3 PRO A 34 8.505 18.635 4.775 1.00 0.74 H new ATOM 0 HD2 PRO A 34 7.835 16.556 6.385 1.00 0.66 H new ATOM 0 HD3 PRO A 34 6.610 17.464 5.521 1.00 0.66 H new ATOM 594 N ASN A 35 9.610 14.370 4.025 1.00 0.44 N ATOM 595 CA ASN A 35 10.732 13.444 3.896 1.00 0.44 C ATOM 596 C ASN A 35 10.235 12.000 3.910 1.00 0.38 C ATOM 597 O ASN A 35 10.995 11.057 3.665 1.00 0.43 O ATOM 598 CB ASN A 35 11.739 13.656 5.030 1.00 0.54 C ATOM 599 CG ASN A 35 13.087 13.019 4.740 1.00 1.32 C ATOM 600 OD1 ASN A 35 13.521 12.948 3.592 1.00 2.16 O ATOM 601 ND2 ASN A 35 13.759 12.547 5.777 1.00 1.83 N ATOM 0 H ASN A 35 9.407 14.659 4.982 1.00 0.44 H new ATOM 0 HA ASN A 35 11.227 13.640 2.945 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.874 14.725 5.196 1.00 0.54 H new ATOM 0 HB3 ASN A 35 11.335 13.239 5.953 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.668 12.107 5.638 1.00 1.83 H new ATOM 0 HD22 ASN A 35 13.368 12.623 6.716 1.00 1.83 H new ATOM 608 N LYS A 36 8.954 11.831 4.206 1.00 0.36 N ATOM 609 CA LYS A 36 8.352 10.506 4.249 1.00 0.40 C ATOM 610 C LYS A 36 7.560 10.233 2.982 1.00 0.36 C ATOM 611 O LYS A 36 7.165 11.155 2.266 1.00 0.56 O ATOM 612 CB LYS A 36 7.437 10.341 5.469 1.00 0.54 C ATOM 613 CG LYS A 36 8.166 10.141 6.796 1.00 0.89 C ATOM 614 CD LYS A 36 8.941 11.375 7.228 1.00 1.58 C ATOM 615 CE LYS A 36 9.522 11.204 8.622 1.00 1.56 C ATOM 616 NZ LYS A 36 10.263 12.410 9.072 1.00 2.03 N ATOM 0 H LYS A 36 8.312 12.594 4.420 1.00 0.36 H new ATOM 0 HA LYS A 36 9.167 9.786 4.328 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.801 11.222 5.550 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.780 9.488 5.300 1.00 0.54 H new ATOM 0 HG2 LYS A 36 7.442 9.882 7.569 1.00 0.89 H new ATOM 0 HG3 LYS A 36 8.852 9.299 6.706 1.00 0.89 H new ATOM 0 HD2 LYS A 36 9.745 11.569 6.518 1.00 1.58 H new ATOM 0 HD3 LYS A 36 8.284 12.244 7.210 1.00 1.58 H new ATOM 0 HE2 LYS A 36 8.717 10.990 9.326 1.00 1.56 H new ATOM 0 HE3 LYS A 36 10.191 10.344 8.632 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 10.642 12.249 10.027 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 11.047 12.600 8.416 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 9.620 13.227 9.088 1.00 2.03 H new ATOM 630 N ILE A 37 7.339 8.961 2.717 1.00 0.26 N ATOM 631 CA ILE A 37 6.626 8.524 1.534 1.00 0.27 C ATOM 632 C ILE A 37 5.371 7.751 1.925 1.00 0.24 C ATOM 633 O ILE A 37 5.433 6.818 2.730 1.00 0.26 O ATOM 634 CB ILE A 37 7.539 7.640 0.662 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.749 8.454 0.199 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.776 7.072 -0.529 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.839 7.620 -0.430 1.00 0.58 C ATOM 0 H ILE A 37 7.650 8.198 3.319 1.00 0.26 H new ATOM 0 HA ILE A 37 6.331 9.403 0.961 1.00 0.27 H new ATOM 0 HB ILE A 37 7.887 6.796 1.258 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.418 9.204 -0.519 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.162 8.991 1.053 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.444 6.452 -1.127 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.942 6.467 -0.172 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.395 7.890 -1.141 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.663 8.266 -0.733 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.199 6.887 0.292 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.443 7.103 -1.304 1.00 0.58 H new ATOM 649 N PRO A 38 4.211 8.155 1.386 1.00 0.27 N ATOM 650 CA PRO A 38 2.947 7.465 1.630 1.00 0.30 C ATOM 651 C PRO A 38 2.854 6.148 0.863 1.00 0.25 C ATOM 652 O PRO A 38 2.618 6.131 -0.349 1.00 0.26 O ATOM 653 CB PRO A 38 1.900 8.460 1.128 1.00 0.44 C ATOM 654 CG PRO A 38 2.602 9.267 0.090 1.00 0.53 C ATOM 655 CD PRO A 38 4.046 9.329 0.507 1.00 0.36 C ATOM 0 HA PRO A 38 2.821 7.191 2.678 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.035 7.945 0.710 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.535 9.091 1.938 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.501 8.808 -0.893 1.00 0.53 H new ATOM 0 HG3 PRO A 38 2.174 10.267 0.020 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.713 9.281 -0.354 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.271 10.257 1.033 1.00 0.36 H new ATOM 663 N VAL A 39 3.044 5.047 1.571 1.00 0.23 N ATOM 664 CA VAL A 39 2.994 3.735 0.956 1.00 0.22 C ATOM 665 C VAL A 39 1.729 2.991 1.381 1.00 0.22 C ATOM 666 O VAL A 39 1.273 3.115 2.524 1.00 0.25 O ATOM 667 CB VAL A 39 4.253 2.905 1.300 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.335 2.619 2.793 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.289 1.614 0.494 1.00 1.28 C ATOM 0 H VAL A 39 3.234 5.038 2.573 1.00 0.23 H new ATOM 0 HA VAL A 39 2.970 3.874 -0.125 1.00 0.22 H new ATOM 0 HB VAL A 39 5.127 3.497 1.028 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.231 2.034 3.003 1.00 1.39 H new ATOM 0 HG12 VAL A 39 4.379 3.560 3.342 1.00 1.39 H new ATOM 0 HG13 VAL A 39 3.454 2.058 3.105 1.00 1.39 H new ATOM 0 HG21 VAL A 39 5.184 1.048 0.754 1.00 1.28 H new ATOM 0 HG22 VAL A 39 3.404 1.019 0.721 1.00 1.28 H new ATOM 0 HG23 VAL A 39 4.305 1.850 -0.570 1.00 1.28 H new ATOM 679 N VAL A 40 1.149 2.250 0.449 1.00 0.26 N ATOM 680 CA VAL A 40 -0.058 1.484 0.711 1.00 0.28 C ATOM 681 C VAL A 40 0.169 0.016 0.377 1.00 0.28 C ATOM 682 O VAL A 40 0.658 -0.316 -0.703 1.00 0.34 O ATOM 683 CB VAL A 40 -1.256 2.014 -0.108 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.524 1.237 0.216 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.464 3.499 0.141 1.00 0.40 C ATOM 0 H VAL A 40 1.500 2.163 -0.505 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.291 1.591 1.770 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.029 1.870 -1.164 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.352 1.630 -0.374 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.376 0.184 -0.023 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.753 1.340 1.277 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.313 3.851 -0.446 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.661 3.666 1.200 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.568 4.046 -0.152 1.00 0.40 H new ATOM 695 N VAL A 41 -0.183 -0.857 1.310 1.00 0.30 N ATOM 696 CA VAL A 41 -0.033 -2.291 1.108 1.00 0.32 C ATOM 697 C VAL A 41 -1.344 -2.922 0.658 1.00 0.44 C ATOM 698 O VAL A 41 -2.387 -2.750 1.293 1.00 0.64 O ATOM 699 CB VAL A 41 0.472 -3.009 2.379 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.993 -3.016 2.420 1.00 0.50 C ATOM 701 CG2 VAL A 41 -0.098 -2.358 3.637 1.00 1.03 C ATOM 0 H VAL A 41 -0.575 -0.597 2.215 1.00 0.30 H new ATOM 0 HA VAL A 41 0.715 -2.415 0.325 1.00 0.32 H new ATOM 0 HB VAL A 41 0.123 -4.041 2.346 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.330 -3.526 3.322 1.00 0.50 H new ATOM 0 HG12 VAL A 41 2.378 -3.537 1.543 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.362 -1.990 2.424 1.00 0.50 H new ATOM 0 HG21 VAL A 41 0.273 -2.882 4.518 1.00 1.03 H new ATOM 0 HG22 VAL A 41 0.212 -1.314 3.679 1.00 1.03 H new ATOM 0 HG23 VAL A 41 -1.186 -2.413 3.614 1.00 1.03 H new ATOM 711 N GLU A 42 -1.283 -3.637 -0.452 1.00 0.44 N ATOM 712 CA GLU A 42 -2.443 -4.318 -0.993 1.00 0.64 C ATOM 713 C GLU A 42 -2.168 -5.812 -1.087 1.00 0.47 C ATOM 714 O GLU A 42 -1.056 -6.228 -1.421 1.00 0.36 O ATOM 715 CB GLU A 42 -2.795 -3.762 -2.374 1.00 0.94 C ATOM 716 CG GLU A 42 -3.035 -2.259 -2.384 1.00 1.44 C ATOM 717 CD GLU A 42 -3.644 -1.780 -3.682 1.00 1.67 C ATOM 718 OE1 GLU A 42 -2.892 -1.513 -4.643 1.00 2.43 O ATOM 719 OE2 GLU A 42 -4.886 -1.684 -3.752 1.00 1.86 O ATOM 0 H GLU A 42 -0.432 -3.761 -1.000 1.00 0.44 H new ATOM 0 HA GLU A 42 -3.289 -4.151 -0.326 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -1.987 -3.997 -3.067 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -3.688 -4.266 -2.742 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -3.694 -1.994 -1.557 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -2.090 -1.742 -2.217 1.00 1.44 H new ATOM 726 N ARG A 43 -3.174 -6.618 -0.791 1.00 0.54 N ATOM 727 CA ARG A 43 -3.009 -8.061 -0.814 1.00 0.47 C ATOM 728 C ARG A 43 -3.237 -8.585 -2.222 1.00 0.50 C ATOM 729 O ARG A 43 -4.135 -8.124 -2.928 1.00 0.60 O ATOM 730 CB ARG A 43 -3.985 -8.732 0.151 1.00 0.64 C ATOM 731 CG ARG A 43 -3.543 -10.120 0.585 1.00 1.11 C ATOM 732 CD ARG A 43 -4.631 -10.842 1.361 1.00 1.08 C ATOM 733 NE ARG A 43 -5.527 -11.591 0.483 1.00 1.40 N ATOM 734 CZ ARG A 43 -6.853 -11.501 0.508 1.00 1.48 C ATOM 735 NH1 ARG A 43 -7.455 -10.605 1.282 1.00 1.49 N ATOM 736 NH2 ARG A 43 -7.578 -12.300 -0.264 1.00 2.32 N ATOM 0 H ARG A 43 -4.108 -6.300 -0.533 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.992 -8.297 -0.500 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -4.103 -8.103 1.034 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -4.964 -8.802 -0.323 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -3.273 -10.706 -0.293 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -2.648 -10.040 1.202 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -4.173 -11.524 2.078 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -5.209 -10.117 1.935 1.00 1.08 H new ATOM 0 HE ARG A 43 -5.106 -12.226 -0.195 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -6.899 -9.978 1.864 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -8.473 -10.544 1.294 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -7.117 -12.978 -0.871 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -8.596 -12.237 -0.250 1.00 2.32 H new ATOM 750 N TYR A 44 -2.405 -9.531 -2.630 1.00 0.51 N ATOM 751 CA TYR A 44 -2.526 -10.146 -3.941 1.00 0.65 C ATOM 752 C TYR A 44 -3.838 -10.913 -4.028 1.00 0.80 C ATOM 753 O TYR A 44 -4.133 -11.742 -3.169 1.00 0.91 O ATOM 754 CB TYR A 44 -1.345 -11.085 -4.184 1.00 0.80 C ATOM 755 CG TYR A 44 -1.012 -11.287 -5.641 1.00 0.93 C ATOM 756 CD1 TYR A 44 -0.394 -10.278 -6.362 1.00 1.61 C ATOM 757 CD2 TYR A 44 -1.311 -12.472 -6.296 1.00 1.45 C ATOM 758 CE1 TYR A 44 -0.082 -10.437 -7.692 1.00 1.74 C ATOM 759 CE2 TYR A 44 -1.001 -12.643 -7.631 1.00 1.53 C ATOM 760 CZ TYR A 44 -0.386 -11.621 -8.326 1.00 1.23 C ATOM 761 OH TYR A 44 -0.078 -11.787 -9.655 1.00 1.40 O ATOM 0 H TYR A 44 -1.634 -9.891 -2.067 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.519 -9.370 -4.707 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.468 -10.689 -3.673 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.565 -12.053 -3.735 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -0.152 -9.348 -5.870 1.00 1.61 H new ATOM 0 HD2 TYR A 44 -1.793 -13.273 -5.755 1.00 1.45 H new ATOM 0 HE1 TYR A 44 0.399 -9.638 -8.236 1.00 1.74 H new ATOM 0 HE2 TYR A 44 -1.239 -13.572 -8.129 1.00 1.53 H new ATOM 0 HH TYR A 44 -0.359 -12.679 -9.947 1.00 1.40 H new ATOM 771 N PRO A 45 -4.638 -10.644 -5.074 1.00 0.96 N ATOM 772 CA PRO A 45 -5.988 -11.204 -5.220 1.00 1.22 C ATOM 773 C PRO A 45 -6.012 -12.731 -5.233 1.00 1.26 C ATOM 774 O PRO A 45 -7.013 -13.340 -4.868 1.00 1.48 O ATOM 775 CB PRO A 45 -6.476 -10.648 -6.563 1.00 1.41 C ATOM 776 CG PRO A 45 -5.247 -10.187 -7.271 1.00 1.32 C ATOM 777 CD PRO A 45 -4.294 -9.756 -6.196 1.00 1.05 C ATOM 0 HA PRO A 45 -6.618 -10.928 -4.374 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -6.997 -11.413 -7.139 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.177 -9.826 -6.417 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -4.820 -10.988 -7.874 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -5.472 -9.363 -7.948 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.256 -9.879 -6.504 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.427 -8.706 -5.935 1.00 1.05 H new ATOM 785 N ARG A 46 -4.909 -13.347 -5.643 1.00 1.19 N ATOM 786 CA ARG A 46 -4.826 -14.806 -5.684 1.00 1.41 C ATOM 787 C ARG A 46 -4.445 -15.363 -4.315 1.00 1.33 C ATOM 788 O ARG A 46 -4.675 -16.539 -4.026 1.00 1.52 O ATOM 789 CB ARG A 46 -3.797 -15.278 -6.722 1.00 1.62 C ATOM 790 CG ARG A 46 -4.246 -15.182 -8.178 1.00 2.05 C ATOM 791 CD ARG A 46 -4.388 -13.744 -8.648 1.00 2.15 C ATOM 792 NE ARG A 46 -4.493 -13.650 -10.105 1.00 2.69 N ATOM 793 CZ ARG A 46 -5.463 -13.002 -10.750 1.00 3.29 C ATOM 794 NH1 ARG A 46 -6.487 -12.482 -10.082 1.00 3.38 N ATOM 795 NH2 ARG A 46 -5.425 -12.904 -12.073 1.00 4.16 N ATOM 0 H ARG A 46 -4.064 -12.865 -5.950 1.00 1.19 H new ATOM 0 HA ARG A 46 -5.810 -15.178 -5.968 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -2.887 -14.690 -6.600 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -3.538 -16.315 -6.507 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -3.526 -15.699 -8.812 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -5.200 -15.695 -8.295 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -5.272 -13.299 -8.192 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -3.529 -13.165 -8.309 1.00 2.15 H new ATOM 0 HE ARG A 46 -3.776 -14.111 -10.664 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -6.535 -12.577 -9.068 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -7.225 -11.988 -10.584 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -4.655 -13.324 -12.594 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -6.166 -12.409 -12.569 1.00 4.16 H new ATOM 809 N GLU A 47 -3.877 -14.512 -3.475 1.00 1.17 N ATOM 810 CA GLU A 47 -3.356 -14.930 -2.182 1.00 1.13 C ATOM 811 C GLU A 47 -4.435 -14.864 -1.107 1.00 1.30 C ATOM 812 O GLU A 47 -5.229 -13.923 -1.065 1.00 1.48 O ATOM 813 CB GLU A 47 -2.171 -14.042 -1.795 1.00 1.09 C ATOM 814 CG GLU A 47 -1.550 -14.388 -0.451 1.00 1.43 C ATOM 815 CD GLU A 47 -1.034 -15.809 -0.390 1.00 1.91 C ATOM 816 OE1 GLU A 47 -1.806 -16.705 0.003 1.00 2.22 O ATOM 817 OE2 GLU A 47 0.144 -16.033 -0.723 1.00 2.56 O ATOM 0 H GLU A 47 -3.764 -13.517 -3.668 1.00 1.17 H new ATOM 0 HA GLU A 47 -3.025 -15.965 -2.261 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -1.406 -14.119 -2.567 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.500 -13.003 -1.774 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -0.730 -13.700 -0.247 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.291 -14.242 0.335 1.00 1.43 H new ATOM 824 N THR A 48 -4.453 -15.867 -0.240 1.00 1.56 N ATOM 825 CA THR A 48 -5.400 -15.919 0.864 1.00 1.94 C ATOM 826 C THR A 48 -4.689 -16.103 2.208 1.00 1.56 C ATOM 827 O THR A 48 -5.282 -15.893 3.269 1.00 1.92 O ATOM 828 CB THR A 48 -6.420 -17.060 0.662 1.00 2.64 C ATOM 829 OG1 THR A 48 -5.747 -18.251 0.225 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.483 -16.671 -0.355 1.00 3.54 C ATOM 0 H THR A 48 -3.816 -16.662 -0.282 1.00 1.56 H new ATOM 0 HA THR A 48 -5.926 -14.965 0.878 1.00 1.94 H new ATOM 0 HB THR A 48 -6.909 -17.248 1.618 1.00 2.64 H new ATOM 0 HG1 THR A 48 -6.401 -18.970 0.101 1.00 2.79 H new ATOM 0 HG21 THR A 48 -8.188 -17.493 -0.477 1.00 3.54 H new ATOM 0 HG22 THR A 48 -8.015 -15.786 -0.005 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.009 -16.454 -1.312 1.00 3.54 H new ATOM 838 N PHE A 49 -3.415 -16.481 2.160 1.00 1.27 N ATOM 839 CA PHE A 49 -2.653 -16.775 3.373 1.00 1.57 C ATOM 840 C PHE A 49 -1.945 -15.530 3.897 1.00 1.23 C ATOM 841 O PHE A 49 -1.915 -15.288 5.102 1.00 1.42 O ATOM 842 CB PHE A 49 -1.631 -17.882 3.100 1.00 2.24 C ATOM 843 CG PHE A 49 -0.784 -18.243 4.289 1.00 3.04 C ATOM 844 CD1 PHE A 49 -1.330 -18.933 5.359 1.00 3.80 C ATOM 845 CD2 PHE A 49 0.556 -17.893 4.335 1.00 3.65 C ATOM 846 CE1 PHE A 49 -0.556 -19.266 6.453 1.00 4.81 C ATOM 847 CE2 PHE A 49 1.335 -18.224 5.428 1.00 4.73 C ATOM 848 CZ PHE A 49 0.777 -18.912 6.488 1.00 5.19 C ATOM 0 H PHE A 49 -2.887 -16.591 1.294 1.00 1.27 H new ATOM 0 HA PHE A 49 -3.354 -17.113 4.136 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -2.159 -18.773 2.760 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -0.979 -17.567 2.285 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -2.373 -19.214 5.337 1.00 3.80 H new ATOM 0 HD2 PHE A 49 0.997 -17.356 3.508 1.00 3.65 H new ATOM 0 HE1 PHE A 49 -0.994 -19.803 7.281 1.00 4.81 H new ATOM 0 HE2 PHE A 49 2.378 -17.945 5.453 1.00 4.73 H new ATOM 0 HZ PHE A 49 1.383 -19.172 7.343 1.00 5.19 H new ATOM 858 N LEU A 50 -1.371 -14.750 2.989 1.00 0.94 N ATOM 859 CA LEU A 50 -0.636 -13.550 3.372 1.00 0.81 C ATOM 860 C LEU A 50 -1.617 -12.488 3.870 1.00 0.81 C ATOM 861 O LEU A 50 -2.456 -12.003 3.113 1.00 0.88 O ATOM 862 CB LEU A 50 0.187 -13.029 2.179 1.00 0.83 C ATOM 863 CG LEU A 50 1.457 -12.228 2.516 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.122 -10.904 3.182 1.00 1.34 C ATOM 865 CD2 LEU A 50 2.392 -13.043 3.398 1.00 1.51 C ATOM 0 H LEU A 50 -1.400 -14.926 1.985 1.00 0.94 H new ATOM 0 HA LEU A 50 0.057 -13.788 4.179 1.00 0.81 H new ATOM 0 HB2 LEU A 50 0.475 -13.882 1.565 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.460 -12.400 1.567 1.00 0.83 H new ATOM 0 HG LEU A 50 1.965 -12.011 1.576 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.043 -10.366 3.405 1.00 1.34 H new ATOM 0 HD12 LEU A 50 0.505 -10.305 2.512 1.00 1.34 H new ATOM 0 HD13 LEU A 50 0.577 -11.090 4.107 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.283 -12.457 3.623 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.883 -13.301 4.327 1.00 1.51 H new ATOM 0 HD23 LEU A 50 2.681 -13.956 2.877 1.00 1.51 H new ATOM 877 N PRO A 51 -1.522 -12.130 5.157 1.00 0.98 N ATOM 878 CA PRO A 51 -2.472 -11.219 5.808 1.00 1.19 C ATOM 879 C PRO A 51 -2.250 -9.749 5.454 1.00 1.06 C ATOM 880 O PRO A 51 -1.164 -9.350 5.025 1.00 1.05 O ATOM 881 CB PRO A 51 -2.170 -11.438 7.289 1.00 1.58 C ATOM 882 CG PRO A 51 -0.720 -11.754 7.315 1.00 1.69 C ATOM 883 CD PRO A 51 -0.471 -12.583 6.090 1.00 1.21 C ATOM 0 HA PRO A 51 -3.498 -11.424 5.503 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -2.396 -10.549 7.878 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -2.764 -12.254 7.702 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -0.119 -10.844 7.303 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -0.453 -12.300 8.220 1.00 1.69 H new ATOM 0 HD2 PRO A 51 0.527 -12.414 5.685 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -0.553 -13.649 6.302 1.00 1.21 H new ATOM 891 N PRO A 52 -3.297 -8.925 5.619 1.00 1.03 N ATOM 892 CA PRO A 52 -3.171 -7.471 5.553 1.00 0.93 C ATOM 893 C PRO A 52 -2.402 -6.943 6.762 1.00 0.87 C ATOM 894 O PRO A 52 -2.316 -7.614 7.794 1.00 1.08 O ATOM 895 CB PRO A 52 -4.622 -6.982 5.575 1.00 1.03 C ATOM 896 CG PRO A 52 -5.382 -8.073 6.246 1.00 1.15 C ATOM 897 CD PRO A 52 -4.685 -9.351 5.873 1.00 1.17 C ATOM 0 HA PRO A 52 -2.624 -7.130 4.674 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -4.714 -6.043 6.120 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -4.994 -6.803 4.566 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -5.391 -7.935 7.327 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -6.421 -8.085 5.917 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -4.739 -10.086 6.676 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -5.132 -9.809 4.991 1.00 1.17 H new ATOM 905 N LEU A 53 -1.830 -5.761 6.630 1.00 0.75 N ATOM 906 CA LEU A 53 -1.036 -5.183 7.702 1.00 0.74 C ATOM 907 C LEU A 53 -1.885 -4.323 8.620 1.00 0.76 C ATOM 908 O LEU A 53 -2.976 -3.897 8.242 1.00 0.80 O ATOM 909 CB LEU A 53 0.120 -4.362 7.132 1.00 0.76 C ATOM 910 CG LEU A 53 1.451 -5.105 7.018 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.262 -6.466 6.368 1.00 0.77 C ATOM 912 CD2 LEU A 53 2.451 -4.273 6.235 1.00 1.22 C ATOM 0 H LEU A 53 -1.899 -5.182 5.793 1.00 0.75 H new ATOM 0 HA LEU A 53 -0.630 -6.005 8.291 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -0.163 -4.003 6.143 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.265 -3.483 7.760 1.00 0.76 H new ATOM 0 HG LEU A 53 1.840 -5.265 8.023 1.00 0.79 H new ATOM 0 HD11 LEU A 53 2.224 -6.973 6.299 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.578 -7.065 6.970 1.00 0.77 H new ATOM 0 HD13 LEU A 53 0.847 -6.337 5.368 1.00 0.77 H new ATOM 0 HD21 LEU A 53 3.395 -4.813 6.161 1.00 1.22 H new ATOM 0 HD22 LEU A 53 2.062 -4.083 5.235 1.00 1.22 H new ATOM 0 HD23 LEU A 53 2.615 -3.325 6.747 1.00 1.22 H new ATOM 924 N ASP A 54 -1.377 -4.076 9.822 1.00 0.77 N ATOM 925 CA ASP A 54 -2.081 -3.257 10.806 1.00 0.82 C ATOM 926 C ASP A 54 -2.392 -1.880 10.229 1.00 0.69 C ATOM 927 O ASP A 54 -3.448 -1.300 10.487 1.00 0.75 O ATOM 928 CB ASP A 54 -1.240 -3.128 12.078 1.00 1.00 C ATOM 929 CG ASP A 54 -1.889 -2.247 13.124 1.00 1.25 C ATOM 930 OD1 ASP A 54 -2.981 -2.603 13.615 1.00 2.12 O ATOM 931 OD2 ASP A 54 -1.298 -1.205 13.475 1.00 1.53 O ATOM 0 H ASP A 54 -0.476 -4.432 10.141 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.024 -3.743 11.057 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -1.071 -4.119 12.499 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -0.262 -2.720 11.822 1.00 1.00 H new ATOM 936 N LYS A 55 -1.471 -1.370 9.427 1.00 0.64 N ATOM 937 CA LYS A 55 -1.691 -0.127 8.717 1.00 0.62 C ATOM 938 C LYS A 55 -1.665 -0.372 7.221 1.00 0.55 C ATOM 939 O LYS A 55 -0.739 -0.995 6.703 1.00 0.61 O ATOM 940 CB LYS A 55 -0.643 0.919 9.095 1.00 0.81 C ATOM 941 CG LYS A 55 -0.752 1.395 10.530 1.00 1.10 C ATOM 942 CD LYS A 55 0.125 2.608 10.776 1.00 1.49 C ATOM 943 CE LYS A 55 -0.012 3.113 12.201 1.00 1.98 C ATOM 944 NZ LYS A 55 -1.419 3.456 12.544 1.00 2.59 N ATOM 0 H LYS A 55 -0.563 -1.801 9.253 1.00 0.64 H new ATOM 0 HA LYS A 55 -2.670 0.257 9.002 1.00 0.62 H new ATOM 0 HB2 LYS A 55 0.351 0.501 8.934 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -0.740 1.776 8.428 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -1.789 1.642 10.756 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -0.461 0.590 11.205 1.00 1.10 H new ATOM 0 HD2 LYS A 55 1.166 2.352 10.578 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -0.146 3.402 10.080 1.00 1.49 H new ATOM 0 HE2 LYS A 55 0.353 2.352 12.891 1.00 1.98 H new ATOM 0 HE3 LYS A 55 0.617 3.993 12.335 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -1.434 4.039 13.405 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -1.848 3.986 11.759 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -1.959 2.583 12.708 1.00 2.59 H new ATOM 958 N THR A 56 -2.693 0.104 6.542 1.00 0.50 N ATOM 959 CA THR A 56 -2.764 -0.001 5.099 1.00 0.48 C ATOM 960 C THR A 56 -2.056 1.195 4.479 1.00 0.43 C ATOM 961 O THR A 56 -1.510 1.118 3.382 1.00 0.45 O ATOM 962 CB THR A 56 -4.227 -0.040 4.624 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.007 -0.852 5.513 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.326 -0.600 3.215 1.00 0.96 C ATOM 0 H THR A 56 -3.493 0.569 6.971 1.00 0.50 H new ATOM 0 HA THR A 56 -2.279 -0.926 4.788 1.00 0.48 H new ATOM 0 HB THR A 56 -4.611 0.980 4.623 1.00 0.55 H new ATOM 0 HG1 THR A 56 -5.938 -0.872 5.206 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.370 -0.617 2.903 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.753 0.028 2.533 1.00 0.96 H new ATOM 0 HG23 THR A 56 -3.925 -1.614 3.197 1.00 0.96 H new ATOM 972 N LYS A 57 -2.068 2.300 5.214 1.00 0.46 N ATOM 973 CA LYS A 57 -1.364 3.506 4.820 1.00 0.48 C ATOM 974 C LYS A 57 -0.343 3.856 5.891 1.00 0.52 C ATOM 975 O LYS A 57 -0.712 4.225 7.006 1.00 0.69 O ATOM 976 CB LYS A 57 -2.347 4.671 4.650 1.00 0.59 C ATOM 977 CG LYS A 57 -3.468 4.392 3.664 1.00 0.90 C ATOM 978 CD LYS A 57 -4.482 5.527 3.624 1.00 1.09 C ATOM 979 CE LYS A 57 -5.166 5.725 4.968 1.00 1.54 C ATOM 980 NZ LYS A 57 -6.320 6.659 4.876 1.00 2.14 N ATOM 0 H LYS A 57 -2.567 2.382 6.100 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.863 3.331 3.868 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -2.781 4.911 5.620 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.797 5.552 4.320 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -3.048 4.244 2.669 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.971 3.465 3.939 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -3.982 6.450 3.332 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -5.233 5.316 2.862 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -5.509 4.762 5.345 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -4.444 6.111 5.688 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -6.725 6.805 5.823 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -5.999 7.571 4.493 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -7.044 6.255 4.248 1.00 2.14 H new ATOM 994 N PHE A 58 0.928 3.732 5.569 1.00 0.43 N ATOM 995 CA PHE A 58 1.970 4.036 6.532 1.00 0.50 C ATOM 996 C PHE A 58 3.082 4.856 5.897 1.00 0.38 C ATOM 997 O PHE A 58 3.368 4.725 4.709 1.00 0.33 O ATOM 998 CB PHE A 58 2.516 2.764 7.205 1.00 0.69 C ATOM 999 CG PHE A 58 2.993 1.667 6.292 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.109 0.924 5.517 1.00 1.16 C ATOM 1001 CD2 PHE A 58 4.342 1.358 6.238 1.00 1.42 C ATOM 1002 CE1 PHE A 58 2.571 -0.096 4.709 1.00 1.29 C ATOM 1003 CE2 PHE A 58 4.803 0.337 5.435 1.00 1.64 C ATOM 1004 CZ PHE A 58 3.917 -0.389 4.669 1.00 1.11 C ATOM 0 H PHE A 58 1.264 3.426 4.656 1.00 0.43 H new ATOM 0 HA PHE A 58 1.521 4.642 7.318 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.344 3.051 7.853 1.00 0.69 H new ATOM 0 HB3 PHE A 58 1.735 2.357 7.847 1.00 0.69 H new ATOM 0 HD1 PHE A 58 1.053 1.147 5.547 1.00 1.16 H new ATOM 0 HD2 PHE A 58 5.042 1.925 6.833 1.00 1.42 H new ATOM 0 HE1 PHE A 58 1.877 -0.665 4.108 1.00 1.29 H new ATOM 0 HE2 PHE A 58 5.858 0.106 5.406 1.00 1.64 H new ATOM 0 HZ PHE A 58 4.277 -1.188 4.037 1.00 1.11 H new ATOM 1014 N LEU A 59 3.668 5.740 6.687 1.00 0.46 N ATOM 1015 CA LEU A 59 4.681 6.655 6.187 1.00 0.43 C ATOM 1016 C LEU A 59 6.076 6.092 6.416 1.00 0.40 C ATOM 1017 O LEU A 59 6.441 5.748 7.541 1.00 0.54 O ATOM 1018 CB LEU A 59 4.560 8.030 6.860 1.00 0.59 C ATOM 1019 CG LEU A 59 3.248 8.791 6.617 1.00 1.38 C ATOM 1020 CD1 LEU A 59 2.830 8.696 5.159 1.00 2.22 C ATOM 1021 CD2 LEU A 59 2.140 8.284 7.532 1.00 1.64 C ATOM 0 H LEU A 59 3.459 5.844 7.680 1.00 0.46 H new ATOM 0 HA LEU A 59 4.519 6.774 5.116 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.685 7.898 7.935 1.00 0.59 H new ATOM 0 HB3 LEU A 59 5.386 8.653 6.517 1.00 0.59 H new ATOM 0 HG LEU A 59 3.422 9.841 6.854 1.00 1.38 H new ATOM 0 HD11 LEU A 59 1.898 9.242 5.011 1.00 2.22 H new ATOM 0 HD12 LEU A 59 3.608 9.127 4.529 1.00 2.22 H new ATOM 0 HD13 LEU A 59 2.684 7.650 4.890 1.00 2.22 H new ATOM 0 HD21 LEU A 59 1.224 8.841 7.337 1.00 1.64 H new ATOM 0 HD22 LEU A 59 1.968 7.225 7.342 1.00 1.64 H new ATOM 0 HD23 LEU A 59 2.435 8.423 8.572 1.00 1.64 H new ATOM 1033 N VAL A 60 6.843 5.988 5.344 1.00 0.33 N ATOM 1034 CA VAL A 60 8.220 5.533 5.432 1.00 0.41 C ATOM 1035 C VAL A 60 9.162 6.580 4.846 1.00 0.36 C ATOM 1036 O VAL A 60 8.904 7.116 3.773 1.00 0.34 O ATOM 1037 CB VAL A 60 8.422 4.183 4.704 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.744 3.060 5.471 1.00 0.59 C ATOM 1039 CG2 VAL A 60 7.892 4.245 3.278 1.00 0.47 C ATOM 0 H VAL A 60 6.534 6.214 4.399 1.00 0.33 H new ATOM 0 HA VAL A 60 8.450 5.387 6.487 1.00 0.41 H new ATOM 0 HB VAL A 60 9.492 3.981 4.659 1.00 0.50 H new ATOM 0 HG11 VAL A 60 7.896 2.117 4.945 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.173 2.991 6.471 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.676 3.265 5.548 1.00 0.59 H new ATOM 0 HG21 VAL A 60 8.047 3.283 2.790 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.827 4.476 3.295 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.422 5.021 2.726 1.00 0.47 H new ATOM 1049 N PRO A 61 10.246 6.917 5.563 1.00 0.41 N ATOM 1050 CA PRO A 61 11.236 7.894 5.090 1.00 0.41 C ATOM 1051 C PRO A 61 11.860 7.481 3.761 1.00 0.37 C ATOM 1052 O PRO A 61 12.063 6.298 3.500 1.00 0.36 O ATOM 1053 CB PRO A 61 12.299 7.893 6.190 1.00 0.52 C ATOM 1054 CG PRO A 61 11.611 7.360 7.397 1.00 0.71 C ATOM 1055 CD PRO A 61 10.592 6.382 6.890 1.00 0.51 C ATOM 0 HA PRO A 61 10.787 8.871 4.913 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.150 7.270 5.915 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.683 8.898 6.367 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.319 6.874 8.068 1.00 0.71 H new ATOM 0 HG3 PRO A 61 11.136 8.162 7.962 1.00 0.71 H new ATOM 0 HD2 PRO A 61 11.000 5.373 6.824 1.00 0.51 H new ATOM 0 HD3 PRO A 61 9.721 6.332 7.544 1.00 0.51 H new ATOM 1063 N GLN A 62 12.179 8.469 2.929 1.00 0.42 N ATOM 1064 CA GLN A 62 12.772 8.212 1.619 1.00 0.45 C ATOM 1065 C GLN A 62 14.187 7.653 1.760 1.00 0.43 C ATOM 1066 O GLN A 62 14.774 7.161 0.795 1.00 0.51 O ATOM 1067 CB GLN A 62 12.795 9.494 0.784 1.00 0.61 C ATOM 1068 CG GLN A 62 13.748 10.553 1.313 1.00 0.85 C ATOM 1069 CD GLN A 62 13.837 11.760 0.400 1.00 0.78 C ATOM 1070 OE1 GLN A 62 12.871 12.119 -0.274 1.00 1.34 O ATOM 1071 NE2 GLN A 62 15.003 12.379 0.359 1.00 1.15 N ATOM 0 H GLN A 62 12.037 9.457 3.139 1.00 0.42 H new ATOM 0 HA GLN A 62 12.158 7.469 1.110 1.00 0.45 H new ATOM 0 HB2 GLN A 62 13.075 9.245 -0.240 1.00 0.61 H new ATOM 0 HB3 GLN A 62 11.788 9.910 0.747 1.00 0.61 H new ATOM 0 HG2 GLN A 62 13.419 10.873 2.302 1.00 0.85 H new ATOM 0 HG3 GLN A 62 14.740 10.118 1.433 1.00 0.85 H new ATOM 0 HE21 GLN A 62 15.777 12.047 0.935 1.00 1.15 H new ATOM 0 HE22 GLN A 62 15.130 13.189 -0.248 1.00 1.15 H new ATOM 1080 N GLU A 63 14.719 7.729 2.975 1.00 0.46 N ATOM 1081 CA GLU A 63 16.047 7.213 3.285 1.00 0.59 C ATOM 1082 C GLU A 63 15.995 5.694 3.459 1.00 0.51 C ATOM 1083 O GLU A 63 17.024 5.028 3.601 1.00 0.62 O ATOM 1084 CB GLU A 63 16.556 7.876 4.571 1.00 0.81 C ATOM 1085 CG GLU A 63 18.034 7.652 4.848 1.00 1.56 C ATOM 1086 CD GLU A 63 18.923 8.274 3.793 1.00 2.26 C ATOM 1087 OE1 GLU A 63 18.906 9.517 3.654 1.00 3.07 O ATOM 1088 OE2 GLU A 63 19.660 7.531 3.115 1.00 2.73 O ATOM 0 H GLU A 63 14.242 8.150 3.772 1.00 0.46 H new ATOM 0 HA GLU A 63 16.727 7.442 2.465 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.368 8.948 4.512 1.00 0.81 H new ATOM 0 HB3 GLU A 63 15.979 7.497 5.414 1.00 0.81 H new ATOM 0 HG2 GLU A 63 18.285 8.071 5.823 1.00 1.56 H new ATOM 0 HG3 GLU A 63 18.232 6.581 4.900 1.00 1.56 H new ATOM 1095 N LEU A 64 14.786 5.155 3.442 1.00 0.39 N ATOM 1096 CA LEU A 64 14.563 3.743 3.642 1.00 0.39 C ATOM 1097 C LEU A 64 14.782 2.984 2.341 1.00 0.45 C ATOM 1098 O LEU A 64 14.447 3.467 1.258 1.00 0.54 O ATOM 1099 CB LEU A 64 13.136 3.515 4.140 1.00 0.36 C ATOM 1100 CG LEU A 64 12.826 2.099 4.616 1.00 0.49 C ATOM 1101 CD1 LEU A 64 13.470 1.843 5.967 1.00 1.14 C ATOM 1102 CD2 LEU A 64 11.326 1.880 4.684 1.00 1.44 C ATOM 0 H LEU A 64 13.933 5.692 3.288 1.00 0.39 H new ATOM 0 HA LEU A 64 15.270 3.375 4.385 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.941 4.206 4.960 1.00 0.36 H new ATOM 0 HB3 LEU A 64 12.444 3.769 3.337 1.00 0.36 H new ATOM 0 HG LEU A 64 13.242 1.391 3.899 1.00 0.49 H new ATOM 0 HD11 LEU A 64 13.240 0.829 6.293 1.00 1.14 H new ATOM 0 HD12 LEU A 64 14.550 1.961 5.883 1.00 1.14 H new ATOM 0 HD13 LEU A 64 13.083 2.555 6.696 1.00 1.14 H new ATOM 0 HD21 LEU A 64 11.122 0.865 5.025 1.00 1.44 H new ATOM 0 HD22 LEU A 64 10.885 2.593 5.381 1.00 1.44 H new ATOM 0 HD23 LEU A 64 10.892 2.024 3.695 1.00 1.44 H new ATOM 1114 N THR A 65 15.360 1.811 2.456 1.00 0.49 N ATOM 1115 CA THR A 65 15.550 0.935 1.313 1.00 0.54 C ATOM 1116 C THR A 65 14.426 -0.090 1.245 1.00 0.53 C ATOM 1117 O THR A 65 13.726 -0.302 2.237 1.00 0.51 O ATOM 1118 CB THR A 65 16.899 0.197 1.397 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.966 -0.549 2.619 1.00 0.56 O ATOM 1120 CG2 THR A 65 18.059 1.178 1.327 1.00 0.68 C ATOM 0 H THR A 65 15.711 1.435 3.337 1.00 0.49 H new ATOM 0 HA THR A 65 15.542 1.554 0.416 1.00 0.54 H new ATOM 0 HB THR A 65 16.974 -0.484 0.549 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.152 0.060 3.364 1.00 0.56 H new ATOM 0 HG21 THR A 65 19.001 0.633 1.388 1.00 0.68 H new ATOM 0 HG22 THR A 65 18.017 1.725 0.385 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.992 1.881 2.158 1.00 0.68 H new ATOM 1128 N MET A 66 14.246 -0.728 0.093 1.00 0.55 N ATOM 1129 CA MET A 66 13.243 -1.783 -0.036 1.00 0.56 C ATOM 1130 C MET A 66 13.535 -2.930 0.930 1.00 0.52 C ATOM 1131 O MET A 66 12.620 -3.579 1.431 1.00 0.47 O ATOM 1132 CB MET A 66 13.186 -2.315 -1.469 1.00 0.62 C ATOM 1133 CG MET A 66 12.397 -1.433 -2.425 1.00 0.88 C ATOM 1134 SD MET A 66 10.627 -1.415 -2.067 1.00 1.39 S ATOM 1135 CE MET A 66 10.189 -3.134 -2.332 1.00 1.05 C ATOM 0 H MET A 66 14.775 -0.537 -0.758 1.00 0.55 H new ATOM 0 HA MET A 66 12.275 -1.349 0.213 1.00 0.56 H new ATOM 0 HB2 MET A 66 14.203 -2.423 -1.846 1.00 0.62 H new ATOM 0 HB3 MET A 66 12.742 -3.310 -1.459 1.00 0.62 H new ATOM 0 HG2 MET A 66 12.783 -0.415 -2.374 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.552 -1.782 -3.446 1.00 0.88 H new ATOM 0 HE1 MET A 66 9.118 -3.212 -2.517 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.735 -3.520 -3.193 1.00 1.05 H new ATOM 0 HE3 MET A 66 10.448 -3.716 -1.448 1.00 1.05 H new ATOM 1145 N THR A 67 14.816 -3.165 1.198 1.00 0.56 N ATOM 1146 CA THR A 67 15.230 -4.225 2.109 1.00 0.58 C ATOM 1147 C THR A 67 14.729 -3.961 3.529 1.00 0.47 C ATOM 1148 O THR A 67 14.099 -4.820 4.151 1.00 0.45 O ATOM 1149 CB THR A 67 16.762 -4.365 2.125 1.00 0.70 C ATOM 1150 OG1 THR A 67 17.238 -4.643 0.801 1.00 1.33 O ATOM 1151 CG2 THR A 67 17.203 -5.471 3.070 1.00 1.19 C ATOM 0 H THR A 67 15.587 -2.633 0.795 1.00 0.56 H new ATOM 0 HA THR A 67 14.789 -5.154 1.748 1.00 0.58 H new ATOM 0 HB THR A 67 17.185 -3.425 2.478 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.084 -3.863 0.228 1.00 1.33 H new ATOM 0 HG21 THR A 67 18.290 -5.546 3.060 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.864 -5.243 4.081 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.771 -6.418 2.748 1.00 1.19 H new ATOM 1159 N GLN A 68 14.984 -2.758 4.026 1.00 0.47 N ATOM 1160 CA GLN A 68 14.552 -2.385 5.366 1.00 0.43 C ATOM 1161 C GLN A 68 13.033 -2.280 5.414 1.00 0.35 C ATOM 1162 O GLN A 68 12.412 -2.494 6.456 1.00 0.34 O ATOM 1163 CB GLN A 68 15.186 -1.061 5.781 1.00 0.50 C ATOM 1164 CG GLN A 68 16.703 -1.087 5.789 1.00 0.56 C ATOM 1165 CD GLN A 68 17.299 0.277 6.073 1.00 1.33 C ATOM 1166 OE1 GLN A 68 17.532 1.070 5.160 1.00 2.03 O ATOM 1167 NE2 GLN A 68 17.546 0.560 7.339 1.00 1.98 N ATOM 0 H GLN A 68 15.486 -2.026 3.523 1.00 0.47 H new ATOM 0 HA GLN A 68 14.875 -3.157 6.065 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.848 -0.278 5.102 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.831 -0.794 6.776 1.00 0.50 H new ATOM 0 HG2 GLN A 68 17.048 -1.796 6.542 1.00 0.56 H new ATOM 0 HG3 GLN A 68 17.063 -1.445 4.825 1.00 0.56 H new ATOM 0 HE21 GLN A 68 17.338 -0.126 8.065 1.00 1.98 H new ATOM 0 HE22 GLN A 68 17.945 1.464 7.591 1.00 1.98 H new ATOM 1176 N PHE A 69 12.449 -1.954 4.270 1.00 0.35 N ATOM 1177 CA PHE A 69 11.005 -1.855 4.135 1.00 0.34 C ATOM 1178 C PHE A 69 10.378 -3.236 4.234 1.00 0.36 C ATOM 1179 O PHE A 69 9.337 -3.416 4.860 1.00 0.36 O ATOM 1180 CB PHE A 69 10.654 -1.209 2.797 1.00 0.42 C ATOM 1181 CG PHE A 69 9.189 -0.984 2.600 1.00 0.45 C ATOM 1182 CD1 PHE A 69 8.525 -0.017 3.330 1.00 1.31 C ATOM 1183 CD2 PHE A 69 8.478 -1.733 1.679 1.00 1.26 C ATOM 1184 CE1 PHE A 69 7.179 0.202 3.146 1.00 1.30 C ATOM 1185 CE2 PHE A 69 7.130 -1.519 1.493 1.00 1.33 C ATOM 1186 CZ PHE A 69 6.479 -0.550 2.226 1.00 0.59 C ATOM 0 H PHE A 69 12.962 -1.751 3.412 1.00 0.35 H new ATOM 0 HA PHE A 69 10.612 -1.235 4.940 1.00 0.34 H new ATOM 0 HB2 PHE A 69 11.172 -0.253 2.719 1.00 0.42 H new ATOM 0 HB3 PHE A 69 11.027 -1.841 1.991 1.00 0.42 H new ATOM 0 HD1 PHE A 69 9.068 0.573 4.053 1.00 1.31 H new ATOM 0 HD2 PHE A 69 8.984 -2.492 1.101 1.00 1.26 H new ATOM 0 HE1 PHE A 69 6.671 0.962 3.721 1.00 1.30 H new ATOM 0 HE2 PHE A 69 6.583 -2.110 0.773 1.00 1.33 H new ATOM 0 HZ PHE A 69 5.422 -0.380 2.080 1.00 0.59 H new ATOM 1196 N LEU A 70 11.037 -4.202 3.607 1.00 0.40 N ATOM 1197 CA LEU A 70 10.638 -5.599 3.678 1.00 0.46 C ATOM 1198 C LEU A 70 10.514 -6.041 5.136 1.00 0.47 C ATOM 1199 O LEU A 70 9.556 -6.721 5.516 1.00 0.52 O ATOM 1200 CB LEU A 70 11.679 -6.454 2.948 1.00 0.54 C ATOM 1201 CG LEU A 70 11.431 -7.964 2.963 1.00 0.77 C ATOM 1202 CD1 LEU A 70 10.212 -8.315 2.124 1.00 1.18 C ATOM 1203 CD2 LEU A 70 12.659 -8.708 2.458 1.00 1.43 C ATOM 0 H LEU A 70 11.865 -4.037 3.034 1.00 0.40 H new ATOM 0 HA LEU A 70 9.666 -5.725 3.201 1.00 0.46 H new ATOM 0 HB2 LEU A 70 11.730 -6.124 1.910 1.00 0.54 H new ATOM 0 HB3 LEU A 70 12.656 -6.261 3.392 1.00 0.54 H new ATOM 0 HG LEU A 70 11.238 -8.271 3.991 1.00 0.77 H new ATOM 0 HD11 LEU A 70 10.052 -9.393 2.147 1.00 1.18 H new ATOM 0 HD12 LEU A 70 9.335 -7.809 2.528 1.00 1.18 H new ATOM 0 HD13 LEU A 70 10.374 -7.994 1.095 1.00 1.18 H new ATOM 0 HD21 LEU A 70 12.467 -9.781 2.475 1.00 1.43 H new ATOM 0 HD22 LEU A 70 12.880 -8.395 1.438 1.00 1.43 H new ATOM 0 HD23 LEU A 70 13.511 -8.482 3.100 1.00 1.43 H new ATOM 1215 N SER A 71 11.479 -5.626 5.950 1.00 0.45 N ATOM 1216 CA SER A 71 11.468 -5.935 7.372 1.00 0.50 C ATOM 1217 C SER A 71 10.287 -5.248 8.062 1.00 0.48 C ATOM 1218 O SER A 71 9.658 -5.820 8.958 1.00 0.56 O ATOM 1219 CB SER A 71 12.788 -5.502 8.016 1.00 0.55 C ATOM 1220 OG SER A 71 12.911 -6.012 9.333 1.00 1.50 O ATOM 0 H SER A 71 12.280 -5.073 5.646 1.00 0.45 H new ATOM 0 HA SER A 71 11.356 -7.012 7.493 1.00 0.50 H new ATOM 0 HB2 SER A 71 13.623 -5.852 7.409 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.844 -4.414 8.039 1.00 0.55 H new ATOM 0 HG SER A 71 13.764 -5.721 9.718 1.00 1.50 H new ATOM 1226 N ILE A 72 9.980 -4.026 7.632 1.00 0.40 N ATOM 1227 CA ILE A 72 8.867 -3.268 8.190 1.00 0.39 C ATOM 1228 C ILE A 72 7.537 -3.947 7.872 1.00 0.40 C ATOM 1229 O ILE A 72 6.661 -4.041 8.733 1.00 0.46 O ATOM 1230 CB ILE A 72 8.850 -1.813 7.667 1.00 0.38 C ATOM 1231 CG1 ILE A 72 10.074 -1.054 8.190 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.563 -1.101 8.071 1.00 0.43 C ATOM 1233 CD1 ILE A 72 10.125 0.398 7.766 1.00 0.46 C ATOM 0 H ILE A 72 10.490 -3.539 6.895 1.00 0.40 H new ATOM 0 HA ILE A 72 9.005 -3.240 9.271 1.00 0.39 H new ATOM 0 HB ILE A 72 8.889 -1.837 6.578 1.00 0.38 H new ATOM 0 HG12 ILE A 72 10.082 -1.104 9.279 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.976 -1.556 7.841 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.577 -0.080 7.690 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.707 -1.632 7.654 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.483 -1.082 9.158 1.00 0.43 H new ATOM 0 HD11 ILE A 72 11.020 0.866 8.176 1.00 0.46 H new ATOM 0 HD12 ILE A 72 10.150 0.459 6.678 1.00 0.46 H new ATOM 0 HD13 ILE A 72 9.242 0.917 8.138 1.00 0.46 H new ATOM 1245 N ILE A 73 7.400 -4.434 6.643 1.00 0.40 N ATOM 1246 CA ILE A 73 6.190 -5.138 6.228 1.00 0.47 C ATOM 1247 C ILE A 73 5.921 -6.316 7.156 1.00 0.56 C ATOM 1248 O ILE A 73 4.820 -6.467 7.686 1.00 0.64 O ATOM 1249 CB ILE A 73 6.295 -5.655 4.775 1.00 0.52 C ATOM 1250 CG1 ILE A 73 6.527 -4.496 3.803 1.00 0.51 C ATOM 1251 CG2 ILE A 73 5.040 -6.426 4.387 1.00 0.65 C ATOM 1252 CD1 ILE A 73 5.409 -3.477 3.799 1.00 1.08 C ATOM 0 H ILE A 73 8.111 -4.355 5.916 1.00 0.40 H new ATOM 0 HA ILE A 73 5.368 -4.424 6.281 1.00 0.47 H new ATOM 0 HB ILE A 73 7.149 -6.330 4.717 1.00 0.52 H new ATOM 0 HG12 ILE A 73 7.461 -3.997 4.061 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.647 -4.896 2.796 1.00 0.51 H new ATOM 0 HG21 ILE A 73 5.134 -6.781 3.361 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.915 -7.278 5.056 1.00 0.65 H new ATOM 0 HG23 ILE A 73 4.172 -5.772 4.466 1.00 0.65 H new ATOM 0 HD11 ILE A 73 5.641 -2.685 3.087 1.00 1.08 H new ATOM 0 HD12 ILE A 73 4.476 -3.962 3.511 1.00 1.08 H new ATOM 0 HD13 ILE A 73 5.303 -3.049 4.796 1.00 1.08 H new ATOM 1264 N ARG A 74 6.950 -7.122 7.374 1.00 0.60 N ATOM 1265 CA ARG A 74 6.850 -8.286 8.242 1.00 0.75 C ATOM 1266 C ARG A 74 6.543 -7.874 9.683 1.00 0.75 C ATOM 1267 O ARG A 74 5.863 -8.593 10.417 1.00 0.84 O ATOM 1268 CB ARG A 74 8.154 -9.087 8.176 1.00 0.86 C ATOM 1269 CG ARG A 74 8.200 -10.274 9.120 1.00 1.15 C ATOM 1270 CD ARG A 74 9.481 -11.068 8.947 1.00 1.07 C ATOM 1271 NE ARG A 74 9.629 -12.105 9.966 1.00 1.72 N ATOM 1272 CZ ARG A 74 10.427 -13.166 9.842 1.00 2.15 C ATOM 1273 NH1 ARG A 74 11.131 -13.353 8.730 1.00 2.13 N ATOM 1274 NH2 ARG A 74 10.524 -14.042 10.835 1.00 3.12 N ATOM 0 H ARG A 74 7.872 -6.989 6.957 1.00 0.60 H new ATOM 0 HA ARG A 74 6.027 -8.911 7.896 1.00 0.75 H new ATOM 0 HB2 ARG A 74 8.299 -9.442 7.156 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.988 -8.423 8.404 1.00 0.86 H new ATOM 0 HG2 ARG A 74 8.122 -9.925 10.150 1.00 1.15 H new ATOM 0 HG3 ARG A 74 7.342 -10.920 8.937 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.491 -11.528 7.959 1.00 1.07 H new ATOM 0 HD3 ARG A 74 10.335 -10.392 8.992 1.00 1.07 H new ATOM 0 HE ARG A 74 9.088 -12.011 10.826 1.00 1.72 H new ATOM 0 HH11 ARG A 74 11.063 -12.682 7.964 1.00 2.13 H new ATOM 0 HH12 ARG A 74 11.739 -14.167 8.642 1.00 2.13 H new ATOM 0 HH21 ARG A 74 9.988 -13.903 11.692 1.00 3.12 H new ATOM 0 HH22 ARG A 74 11.134 -14.854 10.741 1.00 3.12 H new ATOM 1288 N SER A 75 7.022 -6.701 10.070 1.00 0.67 N ATOM 1289 CA SER A 75 6.853 -6.208 11.431 1.00 0.71 C ATOM 1290 C SER A 75 5.437 -5.669 11.652 1.00 0.65 C ATOM 1291 O SER A 75 4.900 -5.737 12.760 1.00 0.70 O ATOM 1292 CB SER A 75 7.892 -5.114 11.712 1.00 0.71 C ATOM 1293 OG SER A 75 7.847 -4.677 13.059 1.00 1.33 O ATOM 0 H SER A 75 7.535 -6.068 9.456 1.00 0.67 H new ATOM 0 HA SER A 75 7.003 -7.037 12.123 1.00 0.71 H new ATOM 0 HB2 SER A 75 8.889 -5.493 11.486 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.716 -4.267 11.049 1.00 0.71 H new ATOM 0 HG SER A 75 8.523 -3.982 13.200 1.00 1.33 H new ATOM 1299 N ARG A 76 4.825 -5.152 10.591 1.00 0.60 N ATOM 1300 CA ARG A 76 3.507 -4.535 10.696 1.00 0.60 C ATOM 1301 C ARG A 76 2.404 -5.536 10.338 1.00 0.66 C ATOM 1302 O ARG A 76 1.218 -5.197 10.332 1.00 0.70 O ATOM 1303 CB ARG A 76 3.436 -3.302 9.783 1.00 0.58 C ATOM 1304 CG ARG A 76 2.239 -2.392 10.043 1.00 1.15 C ATOM 1305 CD ARG A 76 2.262 -1.823 11.455 1.00 1.27 C ATOM 1306 NE ARG A 76 3.491 -1.079 11.723 1.00 1.86 N ATOM 1307 CZ ARG A 76 4.228 -1.223 12.826 1.00 2.28 C ATOM 1308 NH1 ARG A 76 3.814 -2.012 13.812 1.00 2.42 N ATOM 1309 NH2 ARG A 76 5.365 -0.554 12.955 1.00 3.11 N ATOM 0 H ARG A 76 5.220 -5.148 9.650 1.00 0.60 H new ATOM 0 HA ARG A 76 3.350 -4.221 11.728 1.00 0.60 H new ATOM 0 HB2 ARG A 76 4.351 -2.722 9.905 1.00 0.58 H new ATOM 0 HB3 ARG A 76 3.405 -3.635 8.745 1.00 0.58 H new ATOM 0 HG2 ARG A 76 2.239 -1.575 9.321 1.00 1.15 H new ATOM 0 HG3 ARG A 76 1.316 -2.952 9.891 1.00 1.15 H new ATOM 0 HD2 ARG A 76 1.403 -1.167 11.596 1.00 1.27 H new ATOM 0 HD3 ARG A 76 2.165 -2.635 12.175 1.00 1.27 H new ATOM 0 HE ARG A 76 3.805 -0.407 11.023 1.00 1.86 H new ATOM 0 HH11 ARG A 76 2.929 -2.511 13.728 1.00 2.42 H new ATOM 0 HH12 ARG A 76 4.382 -2.118 14.653 1.00 2.42 H new ATOM 0 HH21 ARG A 76 5.676 0.071 12.211 1.00 3.11 H new ATOM 0 HH22 ARG A 76 5.929 -0.664 13.798 1.00 3.11 H new ATOM 1323 N MET A 77 2.800 -6.772 10.048 1.00 0.71 N ATOM 1324 CA MET A 77 1.846 -7.825 9.709 1.00 0.80 C ATOM 1325 C MET A 77 0.941 -8.145 10.888 1.00 0.82 C ATOM 1326 O MET A 77 1.401 -8.312 12.020 1.00 0.81 O ATOM 1327 CB MET A 77 2.574 -9.095 9.257 1.00 0.89 C ATOM 1328 CG MET A 77 3.092 -9.017 7.834 1.00 1.02 C ATOM 1329 SD MET A 77 3.875 -10.543 7.284 1.00 1.28 S ATOM 1330 CE MET A 77 4.192 -10.135 5.570 1.00 1.06 C ATOM 0 H MET A 77 3.776 -7.070 10.041 1.00 0.71 H new ATOM 0 HA MET A 77 1.231 -7.458 8.887 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.410 -9.285 9.930 1.00 0.89 H new ATOM 0 HB3 MET A 77 1.896 -9.944 9.343 1.00 0.89 H new ATOM 0 HG2 MET A 77 2.265 -8.778 7.165 1.00 1.02 H new ATOM 0 HG3 MET A 77 3.809 -8.200 7.759 1.00 1.02 H new ATOM 0 HE1 MET A 77 4.355 -11.051 5.002 1.00 1.06 H new ATOM 0 HE2 MET A 77 3.335 -9.601 5.159 1.00 1.06 H new ATOM 0 HE3 MET A 77 5.079 -9.504 5.504 1.00 1.06 H new ATOM 1340 N VAL A 78 -0.358 -8.208 10.608 1.00 0.89 N ATOM 1341 CA VAL A 78 -1.348 -8.555 11.621 1.00 0.97 C ATOM 1342 C VAL A 78 -1.182 -10.006 12.049 1.00 1.00 C ATOM 1343 O VAL A 78 -1.162 -10.321 13.239 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.788 -8.328 11.107 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.812 -8.804 12.125 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -3.010 -6.861 10.782 1.00 1.66 C ATOM 0 H VAL A 78 -0.750 -8.022 9.685 1.00 0.89 H new ATOM 0 HA VAL A 78 -1.183 -7.902 12.478 1.00 0.97 H new ATOM 0 HB VAL A 78 -2.917 -8.913 10.196 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.817 -8.633 11.738 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -3.672 -9.869 12.312 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -3.683 -8.252 13.056 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -4.029 -6.718 10.421 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.856 -6.262 11.680 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -2.305 -6.548 10.011 1.00 1.66 H new ATOM 1356 N LEU A 79 -1.056 -10.875 11.071 1.00 1.03 N ATOM 1357 CA LEU A 79 -0.816 -12.286 11.323 1.00 1.12 C ATOM 1358 C LEU A 79 0.598 -12.625 10.870 1.00 1.09 C ATOM 1359 O LEU A 79 0.976 -12.353 9.733 1.00 1.19 O ATOM 1360 CB LEU A 79 -1.871 -13.139 10.593 1.00 1.35 C ATOM 1361 CG LEU A 79 -1.963 -14.624 10.992 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -0.816 -15.434 10.403 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -1.996 -14.773 12.506 1.00 2.29 C ATOM 0 H LEU A 79 -1.116 -10.630 10.083 1.00 1.03 H new ATOM 0 HA LEU A 79 -0.904 -12.505 12.387 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -2.848 -12.683 10.755 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -1.669 -13.087 9.523 1.00 1.35 H new ATOM 0 HG LEU A 79 -2.893 -15.017 10.582 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -0.914 -16.477 10.706 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -0.845 -15.368 9.315 1.00 2.06 H new ATOM 0 HD13 LEU A 79 0.133 -15.038 10.766 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -2.061 -15.829 12.766 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -1.087 -14.349 12.933 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -2.864 -14.247 12.905 1.00 2.29 H new ATOM 1375 N ARG A 80 1.387 -13.187 11.768 1.00 1.18 N ATOM 1376 CA ARG A 80 2.777 -13.483 11.468 1.00 1.28 C ATOM 1377 C ARG A 80 2.907 -14.813 10.740 1.00 1.31 C ATOM 1378 O ARG A 80 2.508 -15.858 11.254 1.00 1.48 O ATOM 1379 CB ARG A 80 3.596 -13.509 12.757 1.00 1.62 C ATOM 1380 CG ARG A 80 3.580 -12.190 13.511 1.00 2.43 C ATOM 1381 CD ARG A 80 4.282 -12.312 14.850 1.00 2.82 C ATOM 1382 NE ARG A 80 3.586 -13.229 15.752 1.00 3.25 N ATOM 1383 CZ ARG A 80 4.159 -13.818 16.799 1.00 3.84 C ATOM 1384 NH1 ARG A 80 5.448 -13.624 17.047 1.00 4.09 N ATOM 1385 NH2 ARG A 80 3.442 -14.600 17.596 1.00 4.54 N ATOM 0 H ARG A 80 1.090 -13.447 12.709 1.00 1.18 H new ATOM 0 HA ARG A 80 3.160 -12.699 10.815 1.00 1.28 H new ATOM 0 HB2 ARG A 80 3.211 -14.295 13.407 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.627 -13.769 12.518 1.00 1.62 H new ATOM 0 HG2 ARG A 80 4.066 -11.420 12.912 1.00 2.43 H new ATOM 0 HG3 ARG A 80 2.550 -11.870 13.666 1.00 2.43 H new ATOM 0 HD2 ARG A 80 5.302 -12.662 14.694 1.00 2.82 H new ATOM 0 HD3 ARG A 80 4.350 -11.328 15.315 1.00 2.82 H new ATOM 0 HE ARG A 80 2.603 -13.429 15.568 1.00 3.25 H new ATOM 0 HH11 ARG A 80 6.000 -13.023 16.435 1.00 4.09 H new ATOM 0 HH12 ARG A 80 5.887 -14.076 17.850 1.00 4.09 H new ATOM 0 HH21 ARG A 80 2.451 -14.750 17.406 1.00 4.54 H new ATOM 0 HH22 ARG A 80 3.882 -15.051 18.398 1.00 4.54 H new ATOM 1399 N ALA A 81 3.459 -14.766 9.537 1.00 1.49 N ATOM 1400 CA ALA A 81 3.715 -15.975 8.771 1.00 1.84 C ATOM 1401 C ALA A 81 5.180 -16.357 8.875 1.00 1.79 C ATOM 1402 O ALA A 81 5.547 -17.525 8.768 1.00 2.59 O ATOM 1403 CB ALA A 81 3.310 -15.785 7.316 1.00 2.91 C ATOM 0 H ALA A 81 3.738 -13.903 9.070 1.00 1.49 H new ATOM 0 HA ALA A 81 3.114 -16.784 9.185 1.00 1.84 H new ATOM 0 HB1 ALA A 81 3.510 -16.701 6.760 1.00 2.91 H new ATOM 0 HB2 ALA A 81 2.247 -15.552 7.262 1.00 2.91 H new ATOM 0 HB3 ALA A 81 3.883 -14.965 6.883 1.00 2.91 H new ATOM 1409 N THR A 82 5.992 -15.333 9.099 1.00 1.83 N ATOM 1410 CA THR A 82 7.439 -15.444 9.318 1.00 2.56 C ATOM 1411 C THR A 82 8.172 -16.209 8.212 1.00 2.23 C ATOM 1412 O THR A 82 9.306 -16.650 8.406 1.00 2.92 O ATOM 1413 CB THR A 82 7.770 -16.078 10.693 1.00 3.57 C ATOM 1414 OG1 THR A 82 7.200 -17.388 10.807 1.00 4.30 O ATOM 1415 CG2 THR A 82 7.256 -15.201 11.825 1.00 4.27 C ATOM 0 H THR A 82 5.658 -14.370 9.136 1.00 1.83 H new ATOM 0 HA THR A 82 7.801 -14.416 9.298 1.00 2.56 H new ATOM 0 HB THR A 82 8.855 -16.160 10.766 1.00 3.57 H new ATOM 0 HG1 THR A 82 6.865 -17.676 9.932 1.00 4.30 H new ATOM 0 HG21 THR A 82 7.498 -15.663 12.782 1.00 4.27 H new ATOM 0 HG22 THR A 82 7.726 -14.219 11.767 1.00 4.27 H new ATOM 0 HG23 THR A 82 6.175 -15.091 11.738 1.00 4.27 H new ATOM 1423 N GLU A 83 7.547 -16.348 7.054 1.00 1.53 N ATOM 1424 CA GLU A 83 8.170 -17.047 5.941 1.00 1.50 C ATOM 1425 C GLU A 83 8.336 -16.114 4.746 1.00 1.17 C ATOM 1426 O GLU A 83 8.163 -14.898 4.874 1.00 1.67 O ATOM 1427 CB GLU A 83 7.365 -18.294 5.559 1.00 2.09 C ATOM 1428 CG GLU A 83 5.919 -18.019 5.190 1.00 2.50 C ATOM 1429 CD GLU A 83 5.174 -19.287 4.831 1.00 2.97 C ATOM 1430 OE1 GLU A 83 5.218 -19.694 3.650 1.00 3.64 O ATOM 1431 OE2 GLU A 83 4.555 -19.896 5.728 1.00 3.25 O ATOM 0 H GLU A 83 6.613 -15.988 6.860 1.00 1.53 H new ATOM 0 HA GLU A 83 9.161 -17.374 6.255 1.00 1.50 H new ATOM 0 HB2 GLU A 83 7.855 -18.784 4.718 1.00 2.09 H new ATOM 0 HB3 GLU A 83 7.387 -18.995 6.393 1.00 2.09 H new ATOM 0 HG2 GLU A 83 5.419 -17.529 6.025 1.00 2.50 H new ATOM 0 HG3 GLU A 83 5.885 -17.328 4.348 1.00 2.50 H new ATOM 1438 N ALA A 84 8.686 -16.676 3.600 1.00 1.00 N ATOM 1439 CA ALA A 84 8.950 -15.887 2.409 1.00 0.89 C ATOM 1440 C ALA A 84 7.666 -15.353 1.788 1.00 0.77 C ATOM 1441 O ALA A 84 6.655 -16.060 1.698 1.00 0.92 O ATOM 1442 CB ALA A 84 9.721 -16.713 1.393 1.00 1.27 C ATOM 0 H ALA A 84 8.794 -17.682 3.470 1.00 1.00 H new ATOM 0 HA ALA A 84 9.553 -15.029 2.708 1.00 0.89 H new ATOM 0 HB1 ALA A 84 9.913 -16.111 0.505 1.00 1.27 H new ATOM 0 HB2 ALA A 84 10.669 -17.032 1.827 1.00 1.27 H new ATOM 0 HB3 ALA A 84 9.135 -17.590 1.117 1.00 1.27 H new ATOM 1448 N PHE A 85 7.718 -14.098 1.371 1.00 0.63 N ATOM 1449 CA PHE A 85 6.618 -13.469 0.661 1.00 0.53 C ATOM 1450 C PHE A 85 7.175 -12.477 -0.353 1.00 0.51 C ATOM 1451 O PHE A 85 8.196 -11.834 -0.102 1.00 0.58 O ATOM 1452 CB PHE A 85 5.655 -12.770 1.636 1.00 0.50 C ATOM 1453 CG PHE A 85 6.226 -11.563 2.331 1.00 0.50 C ATOM 1454 CD1 PHE A 85 7.104 -11.705 3.395 1.00 1.08 C ATOM 1455 CD2 PHE A 85 5.875 -10.284 1.924 1.00 1.33 C ATOM 1456 CE1 PHE A 85 7.621 -10.596 4.036 1.00 1.09 C ATOM 1457 CE2 PHE A 85 6.389 -9.173 2.560 1.00 1.38 C ATOM 1458 CZ PHE A 85 7.264 -9.328 3.619 1.00 0.62 C ATOM 0 H PHE A 85 8.523 -13.488 1.515 1.00 0.63 H new ATOM 0 HA PHE A 85 6.050 -14.238 0.138 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.762 -12.468 1.089 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.338 -13.490 2.390 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.387 -12.693 3.726 1.00 1.08 H new ATOM 0 HD2 PHE A 85 5.190 -10.156 1.098 1.00 1.33 H new ATOM 0 HE1 PHE A 85 8.304 -10.720 4.863 1.00 1.09 H new ATOM 0 HE2 PHE A 85 6.108 -8.183 2.231 1.00 1.38 H new ATOM 0 HZ PHE A 85 7.668 -8.460 4.119 1.00 0.62 H new ATOM 1468 N TYR A 86 6.526 -12.365 -1.498 1.00 0.49 N ATOM 1469 CA TYR A 86 7.007 -11.487 -2.548 1.00 0.55 C ATOM 1470 C TYR A 86 6.192 -10.202 -2.604 1.00 0.53 C ATOM 1471 O TYR A 86 4.971 -10.213 -2.447 1.00 0.48 O ATOM 1472 CB TYR A 86 7.017 -12.195 -3.911 1.00 0.65 C ATOM 1473 CG TYR A 86 5.691 -12.780 -4.352 1.00 0.96 C ATOM 1474 CD1 TYR A 86 5.272 -14.031 -3.915 1.00 1.54 C ATOM 1475 CD2 TYR A 86 4.871 -12.087 -5.229 1.00 1.96 C ATOM 1476 CE1 TYR A 86 4.071 -14.568 -4.337 1.00 2.12 C ATOM 1477 CE2 TYR A 86 3.671 -12.618 -5.659 1.00 2.64 C ATOM 1478 CZ TYR A 86 3.276 -13.857 -5.210 1.00 2.49 C ATOM 1479 OH TYR A 86 2.079 -14.388 -5.637 1.00 3.30 O ATOM 0 H TYR A 86 5.668 -12.869 -1.723 1.00 0.49 H new ATOM 0 HA TYR A 86 8.036 -11.221 -2.308 1.00 0.55 H new ATOM 0 HB2 TYR A 86 7.350 -11.484 -4.667 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.755 -12.996 -3.879 1.00 0.65 H new ATOM 0 HD1 TYR A 86 5.895 -14.592 -3.235 1.00 1.54 H new ATOM 0 HD2 TYR A 86 5.176 -11.113 -5.583 1.00 1.96 H new ATOM 0 HE1 TYR A 86 3.757 -15.539 -3.985 1.00 2.12 H new ATOM 0 HE2 TYR A 86 3.046 -12.064 -6.344 1.00 2.64 H new ATOM 0 HH TYR A 86 1.641 -13.759 -6.248 1.00 3.30 H new ATOM 1489 N LEU A 87 6.893 -9.099 -2.819 1.00 0.62 N ATOM 1490 CA LEU A 87 6.292 -7.775 -2.804 1.00 0.63 C ATOM 1491 C LEU A 87 6.474 -7.089 -4.154 1.00 0.67 C ATOM 1492 O LEU A 87 7.600 -6.815 -4.579 1.00 0.91 O ATOM 1493 CB LEU A 87 6.936 -6.938 -1.692 1.00 0.81 C ATOM 1494 CG LEU A 87 6.408 -5.510 -1.533 1.00 0.83 C ATOM 1495 CD1 LEU A 87 4.946 -5.518 -1.118 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.245 -4.751 -0.515 1.00 1.56 C ATOM 0 H LEU A 87 7.895 -9.097 -3.009 1.00 0.62 H new ATOM 0 HA LEU A 87 5.223 -7.870 -2.613 1.00 0.63 H new ATOM 0 HB2 LEU A 87 6.800 -7.462 -0.746 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.009 -6.889 -1.877 1.00 0.81 H new ATOM 0 HG LEU A 87 6.485 -5.006 -2.496 1.00 0.83 H new ATOM 0 HD11 LEU A 87 4.593 -4.492 -1.011 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.355 -6.028 -1.878 1.00 1.44 H new ATOM 0 HD13 LEU A 87 4.841 -6.039 -0.166 1.00 1.44 H new ATOM 0 HD21 LEU A 87 6.860 -3.737 -0.411 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.195 -5.259 0.448 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.281 -4.713 -0.852 1.00 1.56 H new ATOM 1508 N LEU A 88 5.366 -6.830 -4.832 1.00 0.52 N ATOM 1509 CA LEU A 88 5.396 -6.121 -6.101 1.00 0.60 C ATOM 1510 C LEU A 88 5.163 -4.641 -5.866 1.00 0.69 C ATOM 1511 O LEU A 88 4.341 -4.258 -5.035 1.00 0.75 O ATOM 1512 CB LEU A 88 4.324 -6.642 -7.072 1.00 0.63 C ATOM 1513 CG LEU A 88 4.462 -8.098 -7.524 1.00 0.70 C ATOM 1514 CD1 LEU A 88 3.933 -9.048 -6.463 1.00 1.54 C ATOM 1515 CD2 LEU A 88 3.735 -8.314 -8.842 1.00 1.48 C ATOM 0 H LEU A 88 4.433 -7.101 -4.523 1.00 0.52 H new ATOM 0 HA LEU A 88 6.376 -6.289 -6.547 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.349 -6.522 -6.600 1.00 0.63 H new ATOM 0 HB3 LEU A 88 4.329 -6.008 -7.958 1.00 0.63 H new ATOM 0 HG LEU A 88 5.521 -8.310 -7.671 1.00 0.70 H new ATOM 0 HD11 LEU A 88 4.042 -10.076 -6.808 1.00 1.54 H new ATOM 0 HD12 LEU A 88 4.497 -8.913 -5.540 1.00 1.54 H new ATOM 0 HD13 LEU A 88 2.880 -8.837 -6.279 1.00 1.54 H new ATOM 0 HD21 LEU A 88 3.842 -9.354 -9.150 1.00 1.48 H new ATOM 0 HD22 LEU A 88 2.678 -8.080 -8.717 1.00 1.48 H new ATOM 0 HD23 LEU A 88 4.163 -7.663 -9.605 1.00 1.48 H new ATOM 1527 N VAL A 89 5.861 -3.809 -6.612 1.00 0.78 N ATOM 1528 CA VAL A 89 5.690 -2.376 -6.494 1.00 0.93 C ATOM 1529 C VAL A 89 4.845 -1.867 -7.650 1.00 1.07 C ATOM 1530 O VAL A 89 5.289 -1.874 -8.801 1.00 1.19 O ATOM 1531 CB VAL A 89 7.044 -1.640 -6.495 1.00 1.10 C ATOM 1532 CG1 VAL A 89 6.837 -0.144 -6.340 1.00 1.31 C ATOM 1533 CG2 VAL A 89 7.947 -2.177 -5.397 1.00 1.11 C ATOM 0 H VAL A 89 6.551 -4.100 -7.305 1.00 0.78 H new ATOM 0 HA VAL A 89 5.194 -2.176 -5.544 1.00 0.93 H new ATOM 0 HB VAL A 89 7.532 -1.819 -7.453 1.00 1.10 H new ATOM 0 HG11 VAL A 89 7.804 0.359 -6.343 1.00 1.31 H new ATOM 0 HG12 VAL A 89 6.232 0.227 -7.167 1.00 1.31 H new ATOM 0 HG13 VAL A 89 6.326 0.057 -5.398 1.00 1.31 H new ATOM 0 HG21 VAL A 89 8.898 -1.644 -5.415 1.00 1.11 H new ATOM 0 HG22 VAL A 89 7.468 -2.032 -4.429 1.00 1.11 H new ATOM 0 HG23 VAL A 89 8.124 -3.240 -5.559 1.00 1.11 H new ATOM 1543 N ASN A 90 3.624 -1.442 -7.321 1.00 1.13 N ATOM 1544 CA ASN A 90 2.640 -0.980 -8.303 1.00 1.36 C ATOM 1545 C ASN A 90 2.470 -2.014 -9.420 1.00 1.43 C ATOM 1546 O ASN A 90 2.217 -1.675 -10.576 1.00 1.64 O ATOM 1547 CB ASN A 90 3.049 0.388 -8.867 1.00 1.58 C ATOM 1548 CG ASN A 90 1.858 1.214 -9.333 1.00 1.62 C ATOM 1549 OD1 ASN A 90 0.854 0.680 -9.799 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.957 2.526 -9.195 1.00 1.89 N ATOM 0 H ASN A 90 3.287 -1.408 -6.359 1.00 1.13 H new ATOM 0 HA ASN A 90 1.677 -0.864 -7.806 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.593 0.943 -8.103 1.00 1.58 H new ATOM 0 HB3 ASN A 90 3.733 0.242 -9.703 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.185 3.128 -9.479 1.00 1.89 H new ATOM 0 HD22 ASN A 90 2.806 2.935 -8.804 1.00 1.89 H new ATOM 1557 N ASN A 91 2.636 -3.287 -9.046 1.00 1.31 N ATOM 1558 CA ASN A 91 2.546 -4.418 -9.976 1.00 1.48 C ATOM 1559 C ASN A 91 3.543 -4.289 -11.130 1.00 1.59 C ATOM 1560 O ASN A 91 3.363 -4.888 -12.192 1.00 1.80 O ATOM 1561 CB ASN A 91 1.117 -4.574 -10.515 1.00 1.73 C ATOM 1562 CG ASN A 91 0.149 -5.088 -9.465 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.027 -6.295 -9.302 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -0.492 -4.176 -8.751 1.00 2.31 N ATOM 0 H ASN A 91 2.838 -3.563 -8.085 1.00 1.31 H new ATOM 0 HA ASN A 91 2.806 -5.316 -9.415 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.766 -3.611 -10.887 1.00 1.73 H new ATOM 0 HB3 ASN A 91 1.125 -5.259 -11.363 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -1.159 -4.465 -8.036 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -0.319 -3.185 -8.916 1.00 2.31 H new ATOM 1571 N LYS A 92 4.598 -3.511 -10.919 1.00 1.53 N ATOM 1572 CA LYS A 92 5.633 -3.335 -11.928 1.00 1.72 C ATOM 1573 C LYS A 92 6.921 -4.024 -11.492 1.00 1.45 C ATOM 1574 O LYS A 92 7.338 -5.019 -12.082 1.00 1.47 O ATOM 1575 CB LYS A 92 5.913 -1.850 -12.180 1.00 2.06 C ATOM 1576 CG LYS A 92 4.686 -1.025 -12.535 1.00 2.55 C ATOM 1577 CD LYS A 92 3.956 -1.577 -13.750 1.00 3.00 C ATOM 1578 CE LYS A 92 2.806 -0.672 -14.166 1.00 3.63 C ATOM 1579 NZ LYS A 92 1.892 -0.369 -13.031 1.00 3.95 N ATOM 0 H LYS A 92 4.759 -2.991 -10.056 1.00 1.53 H new ATOM 0 HA LYS A 92 5.273 -3.785 -12.853 1.00 1.72 H new ATOM 0 HB2 LYS A 92 6.375 -1.425 -11.289 1.00 2.06 H new ATOM 0 HB3 LYS A 92 6.639 -1.763 -12.988 1.00 2.06 H new ATOM 0 HG2 LYS A 92 4.006 -1.003 -11.683 1.00 2.55 H new ATOM 0 HG3 LYS A 92 4.986 0.005 -12.730 1.00 2.55 H new ATOM 0 HD2 LYS A 92 4.655 -1.683 -14.579 1.00 3.00 H new ATOM 0 HD3 LYS A 92 3.574 -2.573 -13.525 1.00 3.00 H new ATOM 0 HE2 LYS A 92 3.205 0.259 -14.568 1.00 3.63 H new ATOM 0 HE3 LYS A 92 2.242 -1.149 -14.968 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 0.907 -0.385 -13.365 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 2.016 -1.083 -12.285 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 2.113 0.573 -12.649 1.00 3.95 H new ATOM 1593 N SER A 93 7.534 -3.494 -10.443 1.00 1.35 N ATOM 1594 CA SER A 93 8.808 -4.010 -9.963 1.00 1.32 C ATOM 1595 C SER A 93 8.583 -5.140 -8.961 1.00 0.95 C ATOM 1596 O SER A 93 7.575 -5.158 -8.252 1.00 0.79 O ATOM 1597 CB SER A 93 9.626 -2.884 -9.322 1.00 1.67 C ATOM 1598 OG SER A 93 10.908 -3.336 -8.924 1.00 2.32 O ATOM 0 H SER A 93 7.169 -2.706 -9.908 1.00 1.35 H new ATOM 0 HA SER A 93 9.365 -4.408 -10.812 1.00 1.32 H new ATOM 0 HB2 SER A 93 9.732 -2.062 -10.030 1.00 1.67 H new ATOM 0 HB3 SER A 93 9.092 -2.492 -8.456 1.00 1.67 H new ATOM 0 HG SER A 93 11.406 -2.594 -8.521 1.00 2.32 H new ATOM 1604 N LEU A 94 9.519 -6.074 -8.910 1.00 0.99 N ATOM 1605 CA LEU A 94 9.415 -7.211 -8.010 1.00 0.89 C ATOM 1606 C LEU A 94 10.599 -7.241 -7.047 1.00 1.29 C ATOM 1607 O LEU A 94 11.728 -7.513 -7.456 1.00 1.99 O ATOM 1608 CB LEU A 94 9.345 -8.514 -8.815 1.00 1.28 C ATOM 1609 CG LEU A 94 9.234 -9.795 -7.986 1.00 1.37 C ATOM 1610 CD1 LEU A 94 7.953 -9.799 -7.162 1.00 1.82 C ATOM 1611 CD2 LEU A 94 9.291 -11.018 -8.887 1.00 2.04 C ATOM 0 H LEU A 94 10.362 -6.067 -9.484 1.00 0.99 H new ATOM 0 HA LEU A 94 8.501 -7.111 -7.425 1.00 0.89 H new ATOM 0 HB2 LEU A 94 8.488 -8.461 -9.486 1.00 1.28 H new ATOM 0 HB3 LEU A 94 10.235 -8.583 -9.440 1.00 1.28 H new ATOM 0 HG LEU A 94 10.080 -9.830 -7.299 1.00 1.37 H new ATOM 0 HD11 LEU A 94 7.897 -10.720 -6.581 1.00 1.82 H new ATOM 0 HD12 LEU A 94 7.952 -8.943 -6.487 1.00 1.82 H new ATOM 0 HD13 LEU A 94 7.092 -9.737 -7.828 1.00 1.82 H new ATOM 0 HD21 LEU A 94 9.211 -11.920 -8.281 1.00 2.04 H new ATOM 0 HD22 LEU A 94 8.466 -10.984 -9.599 1.00 2.04 H new ATOM 0 HD23 LEU A 94 10.237 -11.027 -9.428 1.00 2.04 H new ATOM 1623 N VAL A 95 10.310 -6.945 -5.774 1.00 1.62 N ATOM 1624 CA VAL A 95 11.297 -6.937 -4.677 1.00 2.26 C ATOM 1625 C VAL A 95 12.692 -6.459 -5.095 1.00 1.64 C ATOM 1626 O VAL A 95 13.683 -7.173 -4.929 1.00 1.76 O ATOM 1627 CB VAL A 95 11.410 -8.310 -3.959 1.00 3.39 C ATOM 1628 CG1 VAL A 95 10.149 -8.598 -3.163 1.00 4.29 C ATOM 1629 CG2 VAL A 95 11.682 -9.450 -4.933 1.00 3.92 C ATOM 0 H VAL A 95 9.369 -6.699 -5.468 1.00 1.62 H new ATOM 0 HA VAL A 95 10.899 -6.205 -3.975 1.00 2.26 H new ATOM 0 HB VAL A 95 12.261 -8.247 -3.281 1.00 3.39 H new ATOM 0 HG11 VAL A 95 10.245 -9.564 -2.666 1.00 4.29 H new ATOM 0 HG12 VAL A 95 10.005 -7.818 -2.415 1.00 4.29 H new ATOM 0 HG13 VAL A 95 9.291 -8.619 -3.835 1.00 4.29 H new ATOM 0 HG21 VAL A 95 11.753 -10.389 -4.384 1.00 3.92 H new ATOM 0 HG22 VAL A 95 10.869 -9.513 -5.656 1.00 3.92 H new ATOM 0 HG23 VAL A 95 12.620 -9.265 -5.457 1.00 3.92 H new ATOM 1639 N SER A 96 12.775 -5.246 -5.624 1.00 1.30 N ATOM 1640 CA SER A 96 14.067 -4.640 -5.899 1.00 0.98 C ATOM 1641 C SER A 96 14.674 -4.158 -4.584 1.00 0.84 C ATOM 1642 O SER A 96 14.475 -3.017 -4.174 1.00 0.92 O ATOM 1643 CB SER A 96 13.920 -3.480 -6.890 1.00 1.28 C ATOM 1644 OG SER A 96 15.184 -2.966 -7.278 1.00 1.90 O ATOM 0 H SER A 96 11.971 -4.668 -5.869 1.00 1.30 H new ATOM 0 HA SER A 96 14.728 -5.378 -6.354 1.00 0.98 H new ATOM 0 HB2 SER A 96 13.378 -3.820 -7.772 1.00 1.28 H new ATOM 0 HB3 SER A 96 13.326 -2.686 -6.437 1.00 1.28 H new ATOM 0 HG SER A 96 15.057 -2.229 -7.911 1.00 1.90 H new ATOM 1650 N MET A 97 15.417 -5.044 -3.932 1.00 0.90 N ATOM 1651 CA MET A 97 15.923 -4.796 -2.587 1.00 0.98 C ATOM 1652 C MET A 97 17.038 -3.759 -2.582 1.00 0.85 C ATOM 1653 O MET A 97 17.334 -3.157 -1.548 1.00 1.03 O ATOM 1654 CB MET A 97 16.421 -6.104 -1.968 1.00 1.25 C ATOM 1655 CG MET A 97 15.334 -7.152 -1.791 1.00 1.56 C ATOM 1656 SD MET A 97 15.965 -8.716 -1.149 1.00 2.24 S ATOM 1657 CE MET A 97 16.587 -8.208 0.453 1.00 2.85 C ATOM 0 H MET A 97 15.685 -5.950 -4.318 1.00 0.90 H new ATOM 0 HA MET A 97 15.101 -4.398 -1.992 1.00 0.98 H new ATOM 0 HB2 MET A 97 17.210 -6.515 -2.597 1.00 1.25 H new ATOM 0 HB3 MET A 97 16.867 -5.889 -0.997 1.00 1.25 H new ATOM 0 HG2 MET A 97 14.572 -6.767 -1.113 1.00 1.56 H new ATOM 0 HG3 MET A 97 14.847 -7.329 -2.750 1.00 1.56 H new ATOM 0 HE1 MET A 97 16.728 -9.086 1.084 1.00 2.85 H new ATOM 0 HE2 MET A 97 17.540 -7.695 0.327 1.00 2.85 H new ATOM 0 HE3 MET A 97 15.871 -7.534 0.924 1.00 2.85 H new ATOM 1667 N SER A 98 17.641 -3.540 -3.740 1.00 0.68 N ATOM 1668 CA SER A 98 18.737 -2.592 -3.857 1.00 0.71 C ATOM 1669 C SER A 98 18.201 -1.190 -4.133 1.00 0.61 C ATOM 1670 O SER A 98 18.948 -0.211 -4.115 1.00 0.71 O ATOM 1671 CB SER A 98 19.693 -3.029 -4.972 1.00 0.83 C ATOM 1672 OG SER A 98 20.864 -2.228 -4.994 1.00 1.60 O ATOM 0 H SER A 98 17.390 -4.006 -4.612 1.00 0.68 H new ATOM 0 HA SER A 98 19.285 -2.571 -2.915 1.00 0.71 H new ATOM 0 HB2 SER A 98 19.968 -4.074 -4.829 1.00 0.83 H new ATOM 0 HB3 SER A 98 19.186 -2.962 -5.935 1.00 0.83 H new ATOM 0 HG SER A 98 20.640 -1.314 -4.721 1.00 1.60 H new ATOM 1678 N ALA A 99 16.903 -1.101 -4.389 1.00 0.49 N ATOM 1679 CA ALA A 99 16.265 0.173 -4.662 1.00 0.46 C ATOM 1680 C ALA A 99 15.860 0.868 -3.369 1.00 0.43 C ATOM 1681 O ALA A 99 15.417 0.222 -2.413 1.00 0.44 O ATOM 1682 CB ALA A 99 15.050 -0.030 -5.553 1.00 0.51 C ATOM 0 H ALA A 99 16.271 -1.902 -4.413 1.00 0.49 H new ATOM 0 HA ALA A 99 16.982 0.810 -5.180 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.579 0.933 -5.751 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.361 -0.483 -6.495 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.338 -0.686 -5.053 1.00 0.51 H new ATOM 1688 N THR A 100 16.029 2.179 -3.335 1.00 0.42 N ATOM 1689 CA THR A 100 15.588 2.968 -2.202 1.00 0.41 C ATOM 1690 C THR A 100 14.127 3.343 -2.384 1.00 0.41 C ATOM 1691 O THR A 100 13.638 3.423 -3.515 1.00 0.40 O ATOM 1692 CB THR A 100 16.426 4.251 -2.037 1.00 0.41 C ATOM 1693 OG1 THR A 100 16.319 5.065 -3.212 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.890 3.917 -1.781 1.00 0.47 C ATOM 0 H THR A 100 16.469 2.718 -4.081 1.00 0.42 H new ATOM 0 HA THR A 100 15.716 2.363 -1.304 1.00 0.41 H new ATOM 0 HB THR A 100 16.038 4.799 -1.178 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.788 4.631 -3.955 1.00 0.38 H new ATOM 0 HG21 THR A 100 18.459 4.840 -1.668 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.974 3.325 -0.870 1.00 0.47 H new ATOM 0 HG23 THR A 100 18.286 3.347 -2.622 1.00 0.47 H new ATOM 1702 N MET A 101 13.435 3.576 -1.279 1.00 0.43 N ATOM 1703 CA MET A 101 12.024 3.927 -1.327 1.00 0.45 C ATOM 1704 C MET A 101 11.836 5.248 -2.063 1.00 0.39 C ATOM 1705 O MET A 101 10.786 5.502 -2.651 1.00 0.39 O ATOM 1706 CB MET A 101 11.448 4.012 0.087 1.00 0.54 C ATOM 1707 CG MET A 101 9.931 3.956 0.129 1.00 0.71 C ATOM 1708 SD MET A 101 9.274 2.503 -0.716 1.00 1.18 S ATOM 1709 CE MET A 101 10.167 1.187 0.112 1.00 0.89 C ATOM 0 H MET A 101 13.827 3.528 -0.339 1.00 0.43 H new ATOM 0 HA MET A 101 11.487 3.149 -1.869 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.850 3.194 0.684 1.00 0.54 H new ATOM 0 HB3 MET A 101 11.782 4.940 0.551 1.00 0.54 H new ATOM 0 HG2 MET A 101 9.599 3.951 1.167 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.524 4.856 -0.331 1.00 0.71 H new ATOM 0 HE1 MET A 101 9.603 0.258 0.031 1.00 0.89 H new ATOM 0 HE2 MET A 101 11.144 1.060 -0.355 1.00 0.89 H new ATOM 0 HE3 MET A 101 10.298 1.442 1.164 1.00 0.89 H new ATOM 1719 N ALA A 102 12.875 6.076 -2.037 1.00 0.38 N ATOM 1720 CA ALA A 102 12.869 7.345 -2.750 1.00 0.37 C ATOM 1721 C ALA A 102 12.745 7.121 -4.253 1.00 0.35 C ATOM 1722 O ALA A 102 11.889 7.715 -4.910 1.00 0.39 O ATOM 1723 CB ALA A 102 14.130 8.126 -2.435 1.00 0.37 C ATOM 0 H ALA A 102 13.737 5.887 -1.525 1.00 0.38 H new ATOM 0 HA ALA A 102 12.005 7.922 -2.420 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.115 9.074 -2.974 1.00 0.37 H new ATOM 0 HB2 ALA A 102 14.181 8.318 -1.363 1.00 0.37 H new ATOM 0 HB3 ALA A 102 15.002 7.548 -2.741 1.00 0.37 H new ATOM 1729 N GLU A 103 13.605 6.253 -4.789 1.00 0.34 N ATOM 1730 CA GLU A 103 13.554 5.895 -6.206 1.00 0.36 C ATOM 1731 C GLU A 103 12.207 5.280 -6.540 1.00 0.37 C ATOM 1732 O GLU A 103 11.604 5.582 -7.572 1.00 0.39 O ATOM 1733 CB GLU A 103 14.655 4.894 -6.539 1.00 0.39 C ATOM 1734 CG GLU A 103 16.040 5.387 -6.189 1.00 0.40 C ATOM 1735 CD GLU A 103 17.079 4.294 -6.282 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.288 3.587 -5.276 1.00 0.46 O ATOM 1737 OE2 GLU A 103 17.689 4.136 -7.359 1.00 0.53 O ATOM 0 H GLU A 103 14.344 5.786 -4.263 1.00 0.34 H new ATOM 0 HA GLU A 103 13.699 6.801 -6.794 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.463 3.963 -6.005 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.617 4.665 -7.604 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.313 6.202 -6.859 1.00 0.40 H new ATOM 0 HG3 GLU A 103 16.034 5.794 -5.178 1.00 0.40 H new ATOM 1744 N ILE A 104 11.753 4.416 -5.646 1.00 0.36 N ATOM 1745 CA ILE A 104 10.475 3.736 -5.792 1.00 0.37 C ATOM 1746 C ILE A 104 9.329 4.739 -5.924 1.00 0.36 C ATOM 1747 O ILE A 104 8.503 4.634 -6.830 1.00 0.38 O ATOM 1748 CB ILE A 104 10.208 2.800 -4.591 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.188 1.619 -4.600 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.770 2.307 -4.590 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.094 0.748 -5.838 1.00 0.45 C ATOM 0 H ILE A 104 12.261 4.166 -4.797 1.00 0.36 H new ATOM 0 HA ILE A 104 10.526 3.139 -6.703 1.00 0.37 H new ATOM 0 HB ILE A 104 10.366 3.371 -3.676 1.00 0.38 H new ATOM 0 HG12 ILE A 104 12.205 2.003 -4.515 1.00 0.41 H new ATOM 0 HG13 ILE A 104 11.006 1.002 -3.720 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.611 1.651 -3.734 1.00 0.39 H new ATOM 0 HG22 ILE A 104 8.093 3.159 -4.525 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.573 1.757 -5.510 1.00 0.39 H new ATOM 0 HD11 ILE A 104 11.818 -0.064 -5.768 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.089 0.332 -5.915 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.307 1.349 -6.722 1.00 0.45 H new ATOM 1763 N TYR A 105 9.302 5.722 -5.033 1.00 0.36 N ATOM 1764 CA TYR A 105 8.254 6.734 -5.044 1.00 0.39 C ATOM 1765 C TYR A 105 8.318 7.561 -6.319 1.00 0.41 C ATOM 1766 O TYR A 105 7.315 7.739 -7.007 1.00 0.44 O ATOM 1767 CB TYR A 105 8.384 7.645 -3.820 1.00 0.42 C ATOM 1768 CG TYR A 105 7.272 8.668 -3.687 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.980 8.370 -4.092 1.00 1.45 C ATOM 1770 CD2 TYR A 105 7.514 9.922 -3.135 1.00 1.12 C ATOM 1771 CE1 TYR A 105 4.961 9.284 -3.955 1.00 1.56 C ATOM 1772 CE2 TYR A 105 6.495 10.848 -2.998 1.00 1.11 C ATOM 1773 CZ TYR A 105 5.219 10.520 -3.411 1.00 0.71 C ATOM 1774 OH TYR A 105 4.189 11.424 -3.268 1.00 0.86 O ATOM 0 H TYR A 105 9.994 5.840 -4.293 1.00 0.36 H new ATOM 0 HA TYR A 105 7.289 6.228 -5.008 1.00 0.39 H new ATOM 0 HB2 TYR A 105 8.404 7.028 -2.922 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.339 8.167 -3.869 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.770 7.402 -4.523 1.00 1.45 H new ATOM 0 HD2 TYR A 105 8.512 10.176 -2.809 1.00 1.12 H new ATOM 0 HE1 TYR A 105 3.961 9.031 -4.274 1.00 1.56 H new ATOM 0 HE2 TYR A 105 6.696 11.820 -2.571 1.00 1.11 H new ATOM 0 HH TYR A 105 3.331 10.952 -3.312 1.00 0.86 H new ATOM 1784 N ARG A 106 9.515 8.029 -6.641 1.00 0.44 N ATOM 1785 CA ARG A 106 9.725 8.900 -7.789 1.00 0.50 C ATOM 1786 C ARG A 106 9.220 8.273 -9.085 1.00 0.51 C ATOM 1787 O ARG A 106 8.678 8.966 -9.946 1.00 0.58 O ATOM 1788 CB ARG A 106 11.209 9.233 -7.927 1.00 0.56 C ATOM 1789 CG ARG A 106 11.702 10.288 -6.949 1.00 1.25 C ATOM 1790 CD ARG A 106 13.217 10.413 -6.989 1.00 1.75 C ATOM 1791 NE ARG A 106 13.723 10.606 -8.350 1.00 2.50 N ATOM 1792 CZ ARG A 106 15.015 10.527 -8.683 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.929 10.288 -7.752 1.00 3.62 N ATOM 1794 NH2 ARG A 106 15.388 10.676 -9.947 1.00 4.23 N ATOM 0 H ARG A 106 10.364 7.817 -6.117 1.00 0.44 H new ATOM 0 HA ARG A 106 9.153 9.811 -7.614 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.790 8.322 -7.785 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.400 9.577 -8.943 1.00 0.56 H new ATOM 0 HG2 ARG A 106 11.249 11.250 -7.189 1.00 1.25 H new ATOM 0 HG3 ARG A 106 11.383 10.029 -5.940 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.527 11.252 -6.366 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.665 9.516 -6.561 1.00 1.75 H new ATOM 0 HE ARG A 106 13.049 10.813 -9.087 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.646 10.164 -6.780 1.00 3.62 H new ATOM 0 HH12 ARG A 106 16.914 10.228 -8.008 1.00 3.62 H new ATOM 0 HH21 ARG A 106 14.688 10.851 -10.668 1.00 4.23 H new ATOM 0 HH22 ARG A 106 16.375 10.615 -10.198 1.00 4.23 H new ATOM 1808 N ASP A 107 9.377 6.962 -9.215 1.00 0.50 N ATOM 1809 CA ASP A 107 9.026 6.278 -10.452 1.00 0.55 C ATOM 1810 C ASP A 107 7.621 5.693 -10.393 1.00 0.51 C ATOM 1811 O ASP A 107 6.798 5.935 -11.275 1.00 0.62 O ATOM 1812 CB ASP A 107 10.024 5.156 -10.729 1.00 0.61 C ATOM 1813 CG ASP A 107 9.854 4.546 -12.110 1.00 0.96 C ATOM 1814 OD1 ASP A 107 9.037 3.619 -12.263 1.00 1.49 O ATOM 1815 OD2 ASP A 107 10.549 4.985 -13.050 1.00 1.77 O ATOM 0 H ASP A 107 9.743 6.354 -8.483 1.00 0.50 H new ATOM 0 HA ASP A 107 9.058 7.015 -11.254 1.00 0.55 H new ATOM 0 HB2 ASP A 107 11.038 5.545 -10.631 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.907 4.377 -9.976 1.00 0.61 H new ATOM 1820 N TYR A 108 7.343 4.947 -9.338 1.00 0.41 N ATOM 1821 CA TYR A 108 6.135 4.131 -9.278 1.00 0.39 C ATOM 1822 C TYR A 108 5.000 4.810 -8.515 1.00 0.38 C ATOM 1823 O TYR A 108 4.040 4.150 -8.115 1.00 0.40 O ATOM 1824 CB TYR A 108 6.453 2.776 -8.644 1.00 0.40 C ATOM 1825 CG TYR A 108 7.557 2.031 -9.358 1.00 0.45 C ATOM 1826 CD1 TYR A 108 7.279 1.217 -10.447 1.00 1.32 C ATOM 1827 CD2 TYR A 108 8.878 2.155 -8.951 1.00 1.20 C ATOM 1828 CE1 TYR A 108 8.288 0.546 -11.108 1.00 1.36 C ATOM 1829 CE2 TYR A 108 9.892 1.493 -9.608 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.592 0.688 -10.688 1.00 0.63 C ATOM 1831 OH TYR A 108 10.599 0.027 -11.352 1.00 0.75 O ATOM 0 H TYR A 108 7.935 4.887 -8.510 1.00 0.41 H new ATOM 0 HA TYR A 108 5.792 3.992 -10.303 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.739 2.927 -7.603 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.552 2.163 -8.641 1.00 0.40 H new ATOM 0 HD1 TYR A 108 6.258 1.107 -10.782 1.00 1.32 H new ATOM 0 HD2 TYR A 108 9.115 2.782 -8.104 1.00 1.20 H new ATOM 0 HE1 TYR A 108 8.056 -0.088 -11.951 1.00 1.36 H new ATOM 0 HE2 TYR A 108 10.915 1.603 -9.280 1.00 1.25 H new ATOM 0 HH TYR A 108 11.459 0.234 -10.931 1.00 0.75 H new ATOM 1841 N LYS A 109 5.112 6.117 -8.305 1.00 0.42 N ATOM 1842 CA LYS A 109 4.021 6.887 -7.709 1.00 0.45 C ATOM 1843 C LYS A 109 2.779 6.810 -8.593 1.00 0.43 C ATOM 1844 O LYS A 109 2.872 6.869 -9.821 1.00 0.49 O ATOM 1845 CB LYS A 109 4.440 8.349 -7.523 1.00 0.55 C ATOM 1846 CG LYS A 109 4.801 9.056 -8.821 1.00 0.98 C ATOM 1847 CD LYS A 109 5.378 10.439 -8.566 1.00 0.95 C ATOM 1848 CE LYS A 109 5.640 11.185 -9.864 1.00 1.05 C ATOM 1849 NZ LYS A 109 6.500 10.408 -10.797 1.00 1.82 N ATOM 0 H LYS A 109 5.941 6.665 -8.536 1.00 0.42 H new ATOM 0 HA LYS A 109 3.789 6.461 -6.733 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.627 8.891 -7.039 1.00 0.55 H new ATOM 0 HB3 LYS A 109 5.296 8.389 -6.849 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.524 8.456 -9.373 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.913 9.142 -9.448 1.00 0.98 H new ATOM 0 HD2 LYS A 109 4.687 11.014 -7.949 1.00 0.95 H new ATOM 0 HD3 LYS A 109 6.308 10.348 -8.004 1.00 0.95 H new ATOM 0 HE2 LYS A 109 4.690 11.409 -10.350 1.00 1.05 H new ATOM 0 HE3 LYS A 109 6.118 12.139 -9.642 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 6.941 11.054 -11.482 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 7.241 9.917 -10.258 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 5.920 9.709 -11.304 1.00 1.82 H new ATOM 1863 N ASP A 110 1.618 6.653 -7.975 1.00 0.39 N ATOM 1864 CA ASP A 110 0.369 6.603 -8.724 1.00 0.43 C ATOM 1865 C ASP A 110 -0.135 8.025 -8.963 1.00 0.50 C ATOM 1866 O ASP A 110 0.535 8.987 -8.581 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.681 5.773 -7.971 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.767 5.231 -8.882 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.750 5.955 -9.155 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -1.642 4.074 -9.340 1.00 1.20 O ATOM 0 H ASP A 110 1.513 6.559 -6.965 1.00 0.39 H new ATOM 0 HA ASP A 110 0.547 6.121 -9.686 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.187 4.942 -7.467 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.137 6.389 -7.196 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.301 8.175 -9.573 1.00 0.60 N ATOM 1876 CA GLU A 111 -1.840 9.501 -9.859 1.00 0.71 C ATOM 1877 C GLU A 111 -2.176 10.229 -8.566 1.00 0.65 C ATOM 1878 O GLU A 111 -2.036 11.449 -8.466 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.088 9.407 -10.732 1.00 0.87 C ATOM 1880 CG GLU A 111 -2.813 8.906 -12.137 1.00 1.94 C ATOM 1881 CD GLU A 111 -4.069 8.842 -12.973 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -4.744 7.790 -12.959 1.00 2.86 O ATOM 1883 OE2 GLU A 111 -4.391 9.846 -13.644 1.00 2.97 O ATOM 0 H GLU A 111 -1.891 7.401 -9.879 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.077 10.061 -10.399 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -3.807 8.742 -10.253 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.554 10.391 -10.791 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -2.089 9.562 -12.620 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -2.361 7.915 -12.086 1.00 1.94 H new ATOM 1890 N ASP A 112 -2.600 9.466 -7.572 1.00 0.57 N ATOM 1891 CA ASP A 112 -2.982 10.029 -6.288 1.00 0.55 C ATOM 1892 C ASP A 112 -1.756 10.403 -5.464 1.00 0.52 C ATOM 1893 O ASP A 112 -1.861 11.119 -4.472 1.00 0.56 O ATOM 1894 CB ASP A 112 -3.877 9.057 -5.510 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.304 7.654 -5.403 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.067 7.503 -5.404 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.103 6.695 -5.313 1.00 0.63 O ATOM 0 H ASP A 112 -2.688 8.452 -7.630 1.00 0.57 H new ATOM 0 HA ASP A 112 -3.550 10.939 -6.481 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.041 9.451 -4.507 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -4.852 9.006 -5.995 1.00 0.59 H new ATOM 1902 N GLY A 113 -0.591 9.942 -5.900 1.00 0.47 N ATOM 1903 CA GLY A 113 0.645 10.295 -5.234 1.00 0.45 C ATOM 1904 C GLY A 113 1.078 9.270 -4.204 1.00 0.36 C ATOM 1905 O GLY A 113 2.042 9.495 -3.473 1.00 0.37 O ATOM 0 H GLY A 113 -0.481 9.327 -6.707 1.00 0.47 H new ATOM 0 HA2 GLY A 113 1.433 10.408 -5.979 1.00 0.45 H new ATOM 0 HA3 GLY A 113 0.525 11.263 -4.747 1.00 0.45 H new ATOM 1909 N PHE A 114 0.364 8.156 -4.129 1.00 0.39 N ATOM 1910 CA PHE A 114 0.722 7.087 -3.206 1.00 0.34 C ATOM 1911 C PHE A 114 1.529 6.008 -3.915 1.00 0.34 C ATOM 1912 O PHE A 114 1.513 5.909 -5.146 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.531 6.457 -2.592 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.209 7.303 -1.554 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -2.053 8.336 -1.921 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -1.008 7.052 -0.206 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -2.683 9.105 -0.963 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -1.635 7.819 0.756 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.474 8.846 0.377 1.00 0.54 C ATOM 0 H PHE A 114 -0.464 7.968 -4.694 1.00 0.39 H new ATOM 0 HA PHE A 114 1.328 7.526 -2.414 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.243 6.243 -3.389 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.259 5.502 -2.143 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -2.221 8.543 -2.968 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -0.354 6.247 0.096 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -3.339 9.909 -1.262 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -1.469 7.615 1.803 1.00 1.35 H new ATOM 0 HZ PHE A 114 -2.967 9.447 1.127 1.00 0.54 H new ATOM 1929 N VAL A 115 2.244 5.211 -3.134 1.00 0.29 N ATOM 1930 CA VAL A 115 2.930 4.044 -3.660 1.00 0.30 C ATOM 1931 C VAL A 115 2.189 2.791 -3.227 1.00 0.27 C ATOM 1932 O VAL A 115 2.196 2.430 -2.052 1.00 0.31 O ATOM 1933 CB VAL A 115 4.391 3.959 -3.170 1.00 0.37 C ATOM 1934 CG1 VAL A 115 5.095 2.754 -3.776 1.00 0.89 C ATOM 1935 CG2 VAL A 115 5.142 5.233 -3.505 1.00 1.06 C ATOM 0 H VAL A 115 2.363 5.354 -2.131 1.00 0.29 H new ATOM 0 HA VAL A 115 2.945 4.130 -4.746 1.00 0.30 H new ATOM 0 HB VAL A 115 4.378 3.840 -2.087 1.00 0.37 H new ATOM 0 HG11 VAL A 115 6.123 2.715 -3.416 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.573 1.843 -3.484 1.00 0.89 H new ATOM 0 HG13 VAL A 115 5.094 2.840 -4.863 1.00 0.89 H new ATOM 0 HG21 VAL A 115 6.170 5.153 -3.151 1.00 1.06 H new ATOM 0 HG22 VAL A 115 5.140 5.383 -4.585 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.656 6.080 -3.020 1.00 1.06 H new ATOM 1945 N TYR A 116 1.538 2.141 -4.171 1.00 0.33 N ATOM 1946 CA TYR A 116 0.777 0.941 -3.873 1.00 0.34 C ATOM 1947 C TYR A 116 1.615 -0.294 -4.142 1.00 0.38 C ATOM 1948 O TYR A 116 2.184 -0.447 -5.221 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.512 0.906 -4.697 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.482 2.004 -4.331 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.364 3.273 -4.881 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -2.509 1.776 -3.423 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -2.239 4.281 -4.535 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.391 2.781 -3.077 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.248 4.030 -3.633 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.115 5.038 -3.284 1.00 0.54 O ATOM 0 H TYR A 116 1.520 2.422 -5.151 1.00 0.33 H new ATOM 0 HA TYR A 116 0.508 0.953 -2.817 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.262 0.989 -5.755 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -0.998 -0.060 -4.559 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.575 3.474 -5.591 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -2.619 0.797 -2.981 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -2.133 5.264 -4.970 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -4.188 2.587 -2.374 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.313 5.587 -4.072 1.00 0.54 H new ATOM 1966 N MET A 117 1.716 -1.155 -3.149 1.00 0.35 N ATOM 1967 CA MET A 117 2.480 -2.377 -3.288 1.00 0.39 C ATOM 1968 C MET A 117 1.608 -3.584 -3.002 1.00 0.34 C ATOM 1969 O MET A 117 0.950 -3.659 -1.966 1.00 0.45 O ATOM 1970 CB MET A 117 3.692 -2.377 -2.357 1.00 0.49 C ATOM 1971 CG MET A 117 4.687 -1.271 -2.651 1.00 0.65 C ATOM 1972 SD MET A 117 6.152 -1.373 -1.611 1.00 0.70 S ATOM 1973 CE MET A 117 7.065 0.062 -2.163 1.00 1.19 C ATOM 0 H MET A 117 1.278 -1.030 -2.236 1.00 0.35 H new ATOM 0 HA MET A 117 2.836 -2.432 -4.317 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.348 -2.280 -1.327 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.198 -3.339 -2.434 1.00 0.49 H new ATOM 0 HG2 MET A 117 4.984 -1.322 -3.699 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.206 -0.304 -2.503 1.00 0.65 H new ATOM 0 HE1 MET A 117 8.076 0.028 -1.757 1.00 1.19 H new ATOM 0 HE2 MET A 117 7.111 0.067 -3.252 1.00 1.19 H new ATOM 0 HE3 MET A 117 6.565 0.967 -1.817 1.00 1.19 H new ATOM 1983 N THR A 118 1.606 -4.520 -3.928 1.00 0.34 N ATOM 1984 CA THR A 118 0.826 -5.732 -3.791 1.00 0.33 C ATOM 1985 C THR A 118 1.743 -6.883 -3.384 1.00 0.33 C ATOM 1986 O THR A 118 2.807 -7.064 -3.970 1.00 0.37 O ATOM 1987 CB THR A 118 0.126 -6.064 -5.126 1.00 0.43 C ATOM 1988 OG1 THR A 118 -0.631 -4.926 -5.569 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.798 -7.259 -4.987 1.00 0.85 C ATOM 0 H THR A 118 2.143 -4.463 -4.793 1.00 0.34 H new ATOM 0 HA THR A 118 0.066 -5.586 -3.023 1.00 0.33 H new ATOM 0 HB THR A 118 0.896 -6.311 -5.857 1.00 0.43 H new ATOM 0 HG1 THR A 118 -1.406 -5.230 -6.086 1.00 0.92 H new ATOM 0 HG21 THR A 118 -1.274 -7.464 -5.946 1.00 0.85 H new ATOM 0 HG22 THR A 118 -0.222 -8.130 -4.674 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.563 -7.043 -4.241 1.00 0.85 H new ATOM 1997 N TYR A 119 1.345 -7.658 -2.383 1.00 0.35 N ATOM 1998 CA TYR A 119 2.199 -8.734 -1.901 1.00 0.41 C ATOM 1999 C TYR A 119 1.452 -10.056 -1.766 1.00 0.48 C ATOM 2000 O TYR A 119 0.221 -10.088 -1.681 1.00 0.49 O ATOM 2001 CB TYR A 119 2.873 -8.354 -0.566 1.00 0.42 C ATOM 2002 CG TYR A 119 1.943 -7.949 0.575 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.622 -8.378 0.637 1.00 1.09 C ATOM 2004 CD2 TYR A 119 2.411 -7.143 1.610 1.00 1.18 C ATOM 2005 CE1 TYR A 119 -0.203 -8.020 1.685 1.00 1.15 C ATOM 2006 CE2 TYR A 119 1.590 -6.787 2.665 1.00 1.20 C ATOM 2007 CZ TYR A 119 0.286 -7.227 2.695 1.00 0.56 C ATOM 2008 OH TYR A 119 -0.531 -6.887 3.746 1.00 0.70 O ATOM 0 H TYR A 119 0.453 -7.565 -1.897 1.00 0.35 H new ATOM 0 HA TYR A 119 2.973 -8.877 -2.655 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.473 -9.201 -0.233 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.562 -7.530 -0.754 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.233 -9.005 -0.152 1.00 1.09 H new ATOM 0 HD2 TYR A 119 3.432 -6.790 1.589 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -1.227 -8.362 1.711 1.00 1.15 H new ATOM 0 HE2 TYR A 119 1.971 -6.166 3.462 1.00 1.20 H new ATOM 0 HH TYR A 119 -0.700 -7.679 4.299 1.00 0.70 H new ATOM 2018 N ALA A 120 2.211 -11.141 -1.774 1.00 0.57 N ATOM 2019 CA ALA A 120 1.677 -12.468 -1.509 1.00 0.71 C ATOM 2020 C ALA A 120 2.773 -13.344 -0.938 1.00 0.84 C ATOM 2021 O ALA A 120 3.937 -12.961 -0.972 1.00 0.86 O ATOM 2022 CB ALA A 120 1.107 -13.090 -2.770 1.00 0.79 C ATOM 0 H ALA A 120 3.213 -11.127 -1.964 1.00 0.57 H new ATOM 0 HA ALA A 120 0.865 -12.382 -0.787 1.00 0.71 H new ATOM 0 HB1 ALA A 120 0.715 -14.081 -2.542 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.303 -12.462 -3.154 1.00 0.79 H new ATOM 0 HB3 ALA A 120 1.892 -13.174 -3.521 1.00 0.79 H new ATOM 2028 N SER A 121 2.423 -14.510 -0.427 1.00 1.00 N ATOM 2029 CA SER A 121 3.422 -15.389 0.147 1.00 1.16 C ATOM 2030 C SER A 121 4.076 -16.209 -0.957 1.00 0.69 C ATOM 2031 O SER A 121 5.275 -16.079 -1.216 1.00 1.07 O ATOM 2032 CB SER A 121 2.789 -16.305 1.199 1.00 1.88 C ATOM 2033 OG SER A 121 3.778 -17.031 1.912 1.00 2.69 O ATOM 0 H SER A 121 1.468 -14.866 -0.398 1.00 1.00 H new ATOM 0 HA SER A 121 4.186 -14.788 0.640 1.00 1.16 H new ATOM 0 HB2 SER A 121 2.199 -15.709 1.896 1.00 1.88 H new ATOM 0 HB3 SER A 121 2.103 -17.000 0.714 1.00 1.88 H new ATOM 0 HG SER A 121 4.656 -16.622 1.761 1.00 2.69 H new ATOM 2039 N GLN A 122 3.264 -17.022 -1.619 1.00 1.13 N ATOM 2040 CA GLN A 122 3.724 -17.901 -2.686 1.00 1.61 C ATOM 2041 C GLN A 122 2.597 -18.126 -3.683 1.00 2.23 C ATOM 2042 O GLN A 122 1.523 -17.533 -3.550 1.00 2.63 O ATOM 2043 CB GLN A 122 4.183 -19.248 -2.115 1.00 2.34 C ATOM 2044 CG GLN A 122 5.545 -19.205 -1.443 1.00 2.78 C ATOM 2045 CD GLN A 122 6.680 -19.078 -2.440 1.00 3.64 C ATOM 2046 OE1 GLN A 122 7.087 -17.976 -2.808 1.00 4.18 O ATOM 2047 NE2 GLN A 122 7.207 -20.209 -2.879 1.00 4.22 N ATOM 0 H GLN A 122 2.264 -17.091 -1.431 1.00 1.13 H new ATOM 0 HA GLN A 122 4.569 -17.429 -3.188 1.00 1.61 H new ATOM 0 HB2 GLN A 122 3.444 -19.595 -1.393 1.00 2.34 H new ATOM 0 HB3 GLN A 122 4.210 -19.982 -2.921 1.00 2.34 H new ATOM 0 HG2 GLN A 122 5.578 -18.364 -0.750 1.00 2.78 H new ATOM 0 HG3 GLN A 122 5.684 -20.110 -0.852 1.00 2.78 H new ATOM 0 HE21 GLN A 122 6.842 -21.103 -2.550 1.00 4.22 H new ATOM 0 HE22 GLN A 122 7.978 -20.187 -3.546 1.00 4.22 H new ATOM 2056 N GLU A 123 2.830 -18.973 -4.672 1.00 2.65 N ATOM 2057 CA GLU A 123 1.782 -19.343 -5.609 1.00 3.47 C ATOM 2058 C GLU A 123 0.745 -20.208 -4.907 1.00 4.01 C ATOM 2059 O GLU A 123 -0.420 -19.824 -4.787 1.00 4.36 O ATOM 2060 CB GLU A 123 2.368 -20.104 -6.798 1.00 3.93 C ATOM 2061 CG GLU A 123 3.316 -19.284 -7.654 1.00 4.58 C ATOM 2062 CD GLU A 123 2.626 -18.121 -8.333 1.00 5.36 C ATOM 2063 OE1 GLU A 123 1.624 -18.354 -9.042 1.00 6.07 O ATOM 2064 OE2 GLU A 123 3.098 -16.974 -8.183 1.00 5.57 O ATOM 0 H GLU A 123 3.732 -19.416 -4.847 1.00 2.65 H new ATOM 0 HA GLU A 123 1.308 -18.433 -5.977 1.00 3.47 H new ATOM 0 HB2 GLU A 123 2.897 -20.982 -6.428 1.00 3.93 H new ATOM 0 HB3 GLU A 123 1.551 -20.464 -7.423 1.00 3.93 H new ATOM 0 HG2 GLU A 123 4.128 -18.907 -7.032 1.00 4.58 H new ATOM 0 HG3 GLU A 123 3.766 -19.927 -8.410 1.00 4.58 H new ATOM 2071 N THR A 124 1.197 -21.361 -4.416 1.00 4.46 N ATOM 2072 CA THR A 124 0.327 -22.324 -3.754 1.00 5.15 C ATOM 2073 C THR A 124 -0.814 -22.730 -4.685 1.00 5.52 C ATOM 2074 O THR A 124 -1.987 -22.436 -4.429 1.00 6.17 O ATOM 2075 CB THR A 124 -0.233 -21.765 -2.433 1.00 5.88 C ATOM 2076 OG1 THR A 124 0.824 -21.148 -1.686 1.00 5.92 O ATOM 2077 CG2 THR A 124 -0.863 -22.868 -1.593 1.00 6.51 C ATOM 0 H THR A 124 2.174 -21.651 -4.467 1.00 4.46 H new ATOM 0 HA THR A 124 0.923 -23.205 -3.515 1.00 5.15 H new ATOM 0 HB THR A 124 -1.001 -21.030 -2.673 1.00 5.88 H new ATOM 0 HG1 THR A 124 0.466 -20.791 -0.846 1.00 5.92 H new ATOM 0 HG21 THR A 124 -1.250 -22.444 -0.666 1.00 6.51 H new ATOM 0 HG22 THR A 124 -1.679 -23.328 -2.150 1.00 6.51 H new ATOM 0 HG23 THR A 124 -0.112 -23.623 -1.361 1.00 6.51 H new ATOM 2085 N PHE A 125 -0.436 -23.390 -5.777 1.00 5.46 N ATOM 2086 CA PHE A 125 -1.371 -23.860 -6.798 1.00 6.16 C ATOM 2087 C PHE A 125 -1.968 -22.692 -7.579 1.00 6.88 C ATOM 2088 O PHE A 125 -1.679 -21.525 -7.302 1.00 7.17 O ATOM 2089 CB PHE A 125 -2.491 -24.712 -6.184 1.00 6.69 C ATOM 2090 CG PHE A 125 -1.993 -25.908 -5.425 1.00 7.02 C ATOM 2091 CD1 PHE A 125 -1.464 -26.998 -6.093 1.00 7.20 C ATOM 2092 CD2 PHE A 125 -2.051 -25.937 -4.041 1.00 7.48 C ATOM 2093 CE1 PHE A 125 -1.002 -28.097 -5.396 1.00 7.81 C ATOM 2094 CE2 PHE A 125 -1.592 -27.032 -3.339 1.00 8.12 C ATOM 2095 CZ PHE A 125 -1.067 -28.113 -4.017 1.00 8.27 C ATOM 0 H PHE A 125 0.538 -23.616 -5.981 1.00 5.46 H new ATOM 0 HA PHE A 125 -0.805 -24.486 -7.488 1.00 6.16 H new ATOM 0 HB2 PHE A 125 -3.084 -24.089 -5.514 1.00 6.69 H new ATOM 0 HB3 PHE A 125 -3.157 -25.049 -6.979 1.00 6.69 H new ATOM 0 HD1 PHE A 125 -1.412 -26.989 -7.172 1.00 7.20 H new ATOM 0 HD2 PHE A 125 -2.460 -25.093 -3.506 1.00 7.48 H new ATOM 0 HE1 PHE A 125 -0.591 -28.942 -5.928 1.00 7.81 H new ATOM 0 HE2 PHE A 125 -1.643 -27.043 -2.260 1.00 8.12 H new ATOM 0 HZ PHE A 125 -0.707 -28.971 -3.469 1.00 8.27 H new ATOM 2105 N GLY A 126 -2.786 -23.012 -8.565 1.00 7.47 N ATOM 2106 CA GLY A 126 -3.438 -21.989 -9.348 1.00 8.43 C ATOM 2107 C GLY A 126 -4.287 -22.592 -10.439 1.00 9.49 C ATOM 2108 O GLY A 126 -4.741 -23.741 -10.268 1.00 9.97 O ATOM 2109 OXT GLY A 126 -4.494 -21.933 -11.478 1.00 10.03 O ATOM 0 H GLY A 126 -3.011 -23.968 -8.839 1.00 7.47 H new ATOM 0 HA2 GLY A 126 -4.060 -21.372 -8.699 1.00 8.43 H new ATOM 0 HA3 GLY A 126 -2.688 -21.332 -9.789 1.00 8.43 H new TER 2113 GLY A 126