USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1135 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 131 HIS : no HE2:sc= -0.247 K(o=-0.19,f=-2) USER MOD Set 1.2: A 133 HIS : no HE2:sc= 0.0564 K(o=-0.19,f=-2.1) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.258 K(o=0.72,f=0.021) USER MOD Set 2.2: A 31 THR OG1 : rot -131:sc= 0.459 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.15 (180deg=0.319) USER MOD Single : A 9 THR OG1 : rot 120:sc= -0.124 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0.242 (180deg=0.228) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0921 (180deg=-0.411) USER MOD Single : A 25 HIS : no HD1:sc= 0.382 K(o=0.38,f=-1.7) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 0.743 (180deg=0.128) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.253 (180deg=-0.208) USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= 0.0263 (180deg=-2.41!) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 0.586 (180deg=0.128) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.448 (180deg=0.425) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0.206 (180deg=0.169) USER MOD Single : A 72 TYR OH : rot -91:sc= 0.345 USER MOD Single : A 74 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.047) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.482 (180deg=-0.448) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= 0.0717 (180deg=-0.641) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -126:sc= 0.731 (180deg=-0.759!) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc=-0.00205 (180deg=-0.104) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0698 USER MOD Single : A 107 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 THR OG1 : rot 24:sc= 0.363 USER MOD Single : A 109 SER OG : rot -19:sc= -0.0205 USER MOD Single : A 111 ASN : amide:sc= -0.835 K(o=-0.84,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= 0.611 (180deg=0.401) USER MOD Single : A 117 LYS NZ :NH3+ -160:sc= 0.419 (180deg=0.11) USER MOD Single : A 118 LYS NZ :NH3+ -119:sc= 1.22 (180deg=-0.366) USER MOD Single : A 120 LYS NZ :NH3+ -145:sc= 0.803 (180deg=0.187) USER MOD Single : A 125 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 126 SER OG : rot 3:sc= 0.00208 USER MOD Single : A 128 SER OG : rot -68:sc= 0.0565 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.33) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.733 -1.694 16.537 1.00 11.32 N ATOM 2 CA MET A 1 5.655 -1.238 15.472 1.00 44.45 C ATOM 3 C MET A 1 5.439 -2.076 14.202 1.00 63.23 C ATOM 4 O MET A 1 5.077 -3.255 14.282 1.00 33.55 O ATOM 5 CB MET A 1 7.132 -1.313 15.952 1.00 65.31 C ATOM 6 CG MET A 1 7.648 -2.731 16.239 1.00 15.03 C ATOM 7 SD MET A 1 6.720 -3.573 17.544 1.00 74.30 S ATOM 8 CE MET A 1 7.400 -5.230 17.447 1.00 20.22 C ATOM 0 H1 MET A 1 4.604 -0.933 17.234 1.00 11.32 H new ATOM 0 H2 MET A 1 3.813 -1.940 16.118 1.00 11.32 H new ATOM 0 H3 MET A 1 5.133 -2.530 17.008 1.00 11.32 H new ATOM 0 HA MET A 1 5.439 -0.195 15.239 1.00 44.45 H new ATOM 0 HB2 MET A 1 7.769 -0.857 15.194 1.00 65.31 H new ATOM 0 HB3 MET A 1 7.235 -0.714 16.857 1.00 65.31 H new ATOM 0 HG2 MET A 1 7.596 -3.322 15.325 1.00 15.03 H new ATOM 0 HG3 MET A 1 8.699 -2.678 16.525 1.00 15.03 H new ATOM 0 HE1 MET A 1 6.922 -5.864 18.194 1.00 20.22 H new ATOM 0 HE2 MET A 1 7.218 -5.640 16.454 1.00 20.22 H new ATOM 0 HE3 MET A 1 8.473 -5.194 17.634 1.00 20.22 H new ATOM 20 N GLY A 2 5.691 -1.459 13.036 1.00 11.04 N ATOM 21 CA GLY A 2 5.388 -2.065 11.738 1.00 12.21 C ATOM 22 C GLY A 2 4.068 -1.538 11.179 1.00 74.53 C ATOM 23 O GLY A 2 3.061 -1.511 11.893 1.00 14.34 O ATOM 0 H GLY A 2 6.109 -0.531 12.971 1.00 11.04 H new ATOM 0 HA2 GLY A 2 6.194 -1.851 11.037 1.00 12.21 H new ATOM 0 HA3 GLY A 2 5.335 -3.149 11.843 1.00 12.21 H new ATOM 27 N VAL A 3 4.082 -1.076 9.917 1.00 50.42 N ATOM 28 CA VAL A 3 2.895 -0.523 9.220 1.00 41.12 C ATOM 29 C VAL A 3 2.938 -0.975 7.751 1.00 14.14 C ATOM 30 O VAL A 3 3.966 -0.833 7.092 1.00 14.34 O ATOM 31 CB VAL A 3 2.862 1.055 9.301 1.00 41.31 C ATOM 32 CG1 VAL A 3 1.762 1.672 8.401 1.00 63.53 C ATOM 33 CG2 VAL A 3 2.708 1.550 10.763 1.00 52.30 C ATOM 0 H VAL A 3 4.924 -1.073 9.341 1.00 50.42 H new ATOM 0 HA VAL A 3 1.992 -0.894 9.706 1.00 41.12 H new ATOM 0 HB VAL A 3 3.825 1.398 8.922 1.00 41.31 H new ATOM 0 HG11 VAL A 3 1.783 2.758 8.494 1.00 63.53 H new ATOM 0 HG12 VAL A 3 1.942 1.393 7.363 1.00 63.53 H new ATOM 0 HG13 VAL A 3 0.786 1.300 8.712 1.00 63.53 H new ATOM 0 HG21 VAL A 3 2.689 2.640 10.778 1.00 52.30 H new ATOM 0 HG22 VAL A 3 1.778 1.165 11.181 1.00 52.30 H new ATOM 0 HG23 VAL A 3 3.548 1.193 11.358 1.00 52.30 H new ATOM 43 N VAL A 4 1.829 -1.524 7.237 1.00 54.05 N ATOM 44 CA VAL A 4 1.767 -2.069 5.872 1.00 51.21 C ATOM 45 C VAL A 4 0.901 -1.164 4.974 1.00 72.23 C ATOM 46 O VAL A 4 -0.308 -1.035 5.195 1.00 71.12 O ATOM 47 CB VAL A 4 1.204 -3.537 5.887 1.00 1.03 C ATOM 48 CG1 VAL A 4 1.267 -4.188 4.488 1.00 14.12 C ATOM 49 CG2 VAL A 4 1.942 -4.403 6.939 1.00 12.14 C ATOM 0 H VAL A 4 0.952 -1.603 7.752 1.00 54.05 H new ATOM 0 HA VAL A 4 2.777 -2.097 5.464 1.00 51.21 H new ATOM 0 HB VAL A 4 0.153 -3.481 6.171 1.00 1.03 H new ATOM 0 HG11 VAL A 4 0.869 -5.201 4.540 1.00 14.12 H new ATOM 0 HG12 VAL A 4 0.674 -3.601 3.787 1.00 14.12 H new ATOM 0 HG13 VAL A 4 2.302 -4.222 4.149 1.00 14.12 H new ATOM 0 HG21 VAL A 4 1.534 -5.414 6.929 1.00 12.14 H new ATOM 0 HG22 VAL A 4 3.005 -4.439 6.700 1.00 12.14 H new ATOM 0 HG23 VAL A 4 1.807 -3.967 7.929 1.00 12.14 H new ATOM 59 N ILE A 5 1.543 -0.525 3.982 1.00 74.02 N ATOM 60 CA ILE A 5 0.878 0.345 3.002 1.00 64.32 C ATOM 61 C ILE A 5 0.690 -0.433 1.676 1.00 3.01 C ATOM 62 O ILE A 5 1.658 -0.698 0.972 1.00 72.40 O ATOM 63 CB ILE A 5 1.685 1.680 2.717 1.00 63.32 C ATOM 64 CG1 ILE A 5 2.033 2.474 4.033 1.00 44.40 C ATOM 65 CG2 ILE A 5 0.905 2.581 1.727 1.00 25.33 C ATOM 66 CD1 ILE A 5 3.216 1.937 4.834 1.00 74.12 C ATOM 0 H ILE A 5 2.550 -0.600 3.838 1.00 74.02 H new ATOM 0 HA ILE A 5 -0.084 0.634 3.425 1.00 64.32 H new ATOM 0 HB ILE A 5 2.634 1.388 2.267 1.00 63.32 H new ATOM 0 HG12 ILE A 5 2.238 3.511 3.767 1.00 44.40 H new ATOM 0 HG13 ILE A 5 1.153 2.478 4.677 1.00 44.40 H new ATOM 0 HG21 ILE A 5 1.472 3.493 1.541 1.00 25.33 H new ATOM 0 HG22 ILE A 5 0.758 2.048 0.788 1.00 25.33 H new ATOM 0 HG23 ILE A 5 -0.065 2.837 2.154 1.00 25.33 H new ATOM 0 HD11 ILE A 5 3.368 2.556 5.718 1.00 74.12 H new ATOM 0 HD12 ILE A 5 3.012 0.911 5.140 1.00 74.12 H new ATOM 0 HD13 ILE A 5 4.114 1.960 4.216 1.00 74.12 H new ATOM 78 N LEU A 6 -0.554 -0.794 1.356 1.00 33.31 N ATOM 79 CA LEU A 6 -0.906 -1.551 0.141 1.00 61.24 C ATOM 80 C LEU A 6 -1.418 -0.599 -0.939 1.00 70.41 C ATOM 81 O LEU A 6 -2.542 -0.105 -0.847 1.00 13.23 O ATOM 82 CB LEU A 6 -2.001 -2.576 0.498 1.00 45.13 C ATOM 83 CG LEU A 6 -1.664 -3.497 1.693 1.00 64.20 C ATOM 84 CD1 LEU A 6 -2.890 -4.266 2.157 1.00 21.30 C ATOM 85 CD2 LEU A 6 -0.516 -4.444 1.346 1.00 52.30 C ATOM 0 H LEU A 6 -1.361 -0.568 1.938 1.00 33.31 H new ATOM 0 HA LEU A 6 -0.025 -2.067 -0.240 1.00 61.24 H new ATOM 0 HB2 LEU A 6 -2.923 -2.039 0.721 1.00 45.13 H new ATOM 0 HB3 LEU A 6 -2.197 -3.196 -0.377 1.00 45.13 H new ATOM 0 HG LEU A 6 -1.338 -2.866 2.520 1.00 64.20 H new ATOM 0 HD11 LEU A 6 -2.622 -4.905 2.998 1.00 21.30 H new ATOM 0 HD12 LEU A 6 -3.664 -3.564 2.467 1.00 21.30 H new ATOM 0 HD13 LEU A 6 -3.265 -4.881 1.339 1.00 21.30 H new ATOM 0 HD21 LEU A 6 -0.298 -5.081 2.203 1.00 52.30 H new ATOM 0 HD22 LEU A 6 -0.800 -5.064 0.496 1.00 52.30 H new ATOM 0 HD23 LEU A 6 0.370 -3.863 1.091 1.00 52.30 H new ATOM 97 N VAL A 7 -0.596 -0.330 -1.952 1.00 12.05 N ATOM 98 CA VAL A 7 -0.953 0.600 -3.026 1.00 15.21 C ATOM 99 C VAL A 7 -1.411 -0.172 -4.284 1.00 51.34 C ATOM 100 O VAL A 7 -0.597 -0.806 -4.955 1.00 72.40 O ATOM 101 CB VAL A 7 0.235 1.566 -3.372 1.00 75.42 C ATOM 102 CG1 VAL A 7 -0.230 2.655 -4.357 1.00 63.10 C ATOM 103 CG2 VAL A 7 0.836 2.198 -2.094 1.00 24.21 C ATOM 0 H VAL A 7 0.330 -0.746 -2.053 1.00 12.05 H new ATOM 0 HA VAL A 7 -1.783 1.212 -2.671 1.00 15.21 H new ATOM 0 HB VAL A 7 1.021 0.980 -3.849 1.00 75.42 H new ATOM 0 HG11 VAL A 7 0.604 3.317 -4.588 1.00 63.10 H new ATOM 0 HG12 VAL A 7 -0.586 2.187 -5.275 1.00 63.10 H new ATOM 0 HG13 VAL A 7 -1.038 3.232 -3.907 1.00 63.10 H new ATOM 0 HG21 VAL A 7 1.656 2.862 -2.367 1.00 24.21 H new ATOM 0 HG22 VAL A 7 0.066 2.768 -1.573 1.00 24.21 H new ATOM 0 HG23 VAL A 7 1.209 1.410 -1.440 1.00 24.21 H new ATOM 113 N LEU A 8 -2.724 -0.093 -4.591 1.00 13.51 N ATOM 114 CA LEU A 8 -3.330 -0.734 -5.772 1.00 61.13 C ATOM 115 C LEU A 8 -3.219 0.228 -6.956 1.00 70.04 C ATOM 116 O LEU A 8 -3.994 1.171 -7.055 1.00 73.45 O ATOM 117 CB LEU A 8 -4.837 -1.079 -5.542 1.00 22.12 C ATOM 118 CG LEU A 8 -5.179 -2.190 -4.496 1.00 54.44 C ATOM 119 CD1 LEU A 8 -4.797 -1.775 -3.062 1.00 71.32 C ATOM 120 CD2 LEU A 8 -6.673 -2.579 -4.594 1.00 42.35 C ATOM 0 H LEU A 8 -3.395 0.421 -4.021 1.00 13.51 H new ATOM 0 HA LEU A 8 -2.799 -1.666 -5.965 1.00 61.13 H new ATOM 0 HB2 LEU A 8 -5.347 -0.165 -5.239 1.00 22.12 H new ATOM 0 HB3 LEU A 8 -5.262 -1.379 -6.500 1.00 22.12 H new ATOM 0 HG LEU A 8 -4.578 -3.067 -4.735 1.00 54.44 H new ATOM 0 HD11 LEU A 8 -5.053 -2.578 -2.370 1.00 71.32 H new ATOM 0 HD12 LEU A 8 -3.725 -1.581 -3.012 1.00 71.32 H new ATOM 0 HD13 LEU A 8 -5.342 -0.872 -2.787 1.00 71.32 H new ATOM 0 HD21 LEU A 8 -6.896 -3.353 -3.860 1.00 42.35 H new ATOM 0 HD22 LEU A 8 -7.291 -1.703 -4.397 1.00 42.35 H new ATOM 0 HD23 LEU A 8 -6.886 -2.955 -5.595 1.00 42.35 H new ATOM 132 N THR A 9 -2.288 -0.031 -7.870 1.00 41.40 N ATOM 133 CA THR A 9 -2.009 0.865 -8.989 1.00 43.31 C ATOM 134 C THR A 9 -2.576 0.270 -10.280 1.00 1.33 C ATOM 135 O THR A 9 -2.426 -0.927 -10.541 1.00 53.25 O ATOM 136 CB THR A 9 -0.468 1.080 -9.151 1.00 13.24 C ATOM 137 OG1 THR A 9 0.199 -0.191 -9.273 1.00 44.14 O ATOM 138 CG2 THR A 9 0.141 1.855 -7.973 1.00 42.42 C ATOM 0 H THR A 9 -1.705 -0.868 -7.856 1.00 41.40 H new ATOM 0 HA THR A 9 -2.480 1.827 -8.788 1.00 43.31 H new ATOM 0 HB THR A 9 -0.324 1.672 -10.055 1.00 13.24 H new ATOM 0 HG1 THR A 9 0.668 -0.233 -10.133 1.00 44.14 H new ATOM 0 HG21 THR A 9 1.212 1.978 -8.133 1.00 42.42 H new ATOM 0 HG22 THR A 9 -0.330 2.835 -7.900 1.00 42.42 H new ATOM 0 HG23 THR A 9 -0.026 1.302 -7.048 1.00 42.42 H new ATOM 146 N GLY A 10 -3.224 1.131 -11.080 1.00 10.34 N ATOM 147 CA GLY A 10 -3.699 0.768 -12.415 1.00 74.52 C ATOM 148 C GLY A 10 -2.601 0.860 -13.466 1.00 55.33 C ATOM 149 O GLY A 10 -2.806 0.461 -14.612 1.00 51.42 O ATOM 0 H GLY A 10 -3.431 2.094 -10.816 1.00 10.34 H new ATOM 0 HA2 GLY A 10 -4.094 -0.248 -12.394 1.00 74.52 H new ATOM 0 HA3 GLY A 10 -4.523 1.424 -12.696 1.00 74.52 H new ATOM 153 N ASP A 11 -1.424 1.376 -13.053 1.00 22.55 N ATOM 154 CA ASP A 11 -0.252 1.553 -13.919 1.00 12.11 C ATOM 155 C ASP A 11 1.024 1.188 -13.143 1.00 51.01 C ATOM 156 O ASP A 11 1.230 1.640 -12.009 1.00 21.04 O ATOM 157 CB ASP A 11 -0.187 3.009 -14.445 1.00 72.03 C ATOM 158 CG ASP A 11 1.039 3.278 -15.335 1.00 33.22 C ATOM 159 OD1 ASP A 11 1.072 2.784 -16.475 1.00 33.15 O ATOM 160 OD2 ASP A 11 1.975 3.984 -14.900 1.00 50.41 O ATOM 0 H ASP A 11 -1.265 1.684 -12.094 1.00 22.55 H new ATOM 0 HA ASP A 11 -0.336 0.890 -14.780 1.00 12.11 H new ATOM 0 HB2 ASP A 11 -1.093 3.225 -15.011 1.00 72.03 H new ATOM 0 HB3 ASP A 11 -0.170 3.694 -13.597 1.00 72.03 H new ATOM 165 N GLU A 12 1.879 0.389 -13.791 1.00 15.23 N ATOM 166 CA GLU A 12 3.095 -0.183 -13.194 1.00 33.10 C ATOM 167 C GLU A 12 4.198 0.881 -12.998 1.00 23.12 C ATOM 168 O GLU A 12 4.990 0.789 -12.050 1.00 10.12 O ATOM 169 CB GLU A 12 3.604 -1.324 -14.106 1.00 41.34 C ATOM 170 CG GLU A 12 4.829 -2.099 -13.575 1.00 4.22 C ATOM 171 CD GLU A 12 5.392 -3.085 -14.606 1.00 53.22 C ATOM 172 OE1 GLU A 12 4.862 -4.214 -14.718 1.00 5.25 O ATOM 173 OE2 GLU A 12 6.353 -2.724 -15.328 1.00 74.10 O ATOM 0 H GLU A 12 1.744 0.115 -14.764 1.00 15.23 H new ATOM 0 HA GLU A 12 2.849 -0.570 -12.205 1.00 33.10 H new ATOM 0 HB2 GLU A 12 2.789 -2.030 -14.265 1.00 41.34 H new ATOM 0 HB3 GLU A 12 3.855 -0.903 -15.080 1.00 41.34 H new ATOM 0 HG2 GLU A 12 5.608 -1.391 -13.291 1.00 4.22 H new ATOM 0 HG3 GLU A 12 4.548 -2.642 -12.673 1.00 4.22 H new ATOM 180 N ARG A 13 4.242 1.890 -13.898 1.00 41.44 N ATOM 181 CA ARG A 13 5.262 2.955 -13.837 1.00 2.44 C ATOM 182 C ARG A 13 5.014 3.848 -12.611 1.00 10.41 C ATOM 183 O ARG A 13 5.964 4.332 -11.993 1.00 34.13 O ATOM 184 CB ARG A 13 5.252 3.821 -15.119 1.00 11.42 C ATOM 185 CG ARG A 13 6.516 4.698 -15.300 1.00 1.43 C ATOM 186 CD ARG A 13 6.313 5.881 -16.269 1.00 42.05 C ATOM 187 NE ARG A 13 5.696 7.047 -15.598 1.00 3.31 N ATOM 188 CZ ARG A 13 4.451 7.510 -15.796 1.00 65.33 C ATOM 189 NH1 ARG A 13 3.622 6.922 -16.658 1.00 12.22 N ATOM 190 NH2 ARG A 13 4.048 8.577 -15.129 1.00 73.02 N ATOM 0 H ARG A 13 3.584 1.986 -14.672 1.00 41.44 H new ATOM 0 HA ARG A 13 6.239 2.478 -13.755 1.00 2.44 H new ATOM 0 HB2 ARG A 13 5.149 3.167 -15.985 1.00 11.42 H new ATOM 0 HB3 ARG A 13 4.374 4.467 -15.101 1.00 11.42 H new ATOM 0 HG2 ARG A 13 6.823 5.084 -14.328 1.00 1.43 H new ATOM 0 HG3 ARG A 13 7.331 4.074 -15.667 1.00 1.43 H new ATOM 0 HD2 ARG A 13 7.274 6.173 -16.692 1.00 42.05 H new ATOM 0 HD3 ARG A 13 5.682 5.565 -17.100 1.00 42.05 H new ATOM 0 HE ARG A 13 6.272 7.547 -14.920 1.00 3.31 H new ATOM 0 HH11 ARG A 13 3.929 6.103 -17.183 1.00 12.22 H new ATOM 0 HH12 ARG A 13 2.681 7.291 -16.793 1.00 12.22 H new ATOM 0 HH21 ARG A 13 4.680 9.038 -14.474 1.00 73.02 H new ATOM 0 HH22 ARG A 13 3.105 8.940 -15.269 1.00 73.02 H new ATOM 204 N ILE A 14 3.715 4.048 -12.285 1.00 72.21 N ATOM 205 CA ILE A 14 3.289 4.744 -11.060 1.00 60.04 C ATOM 206 C ILE A 14 3.805 3.980 -9.824 1.00 51.35 C ATOM 207 O ILE A 14 4.383 4.584 -8.933 1.00 4.43 O ATOM 208 CB ILE A 14 1.718 4.920 -10.987 1.00 42.52 C ATOM 209 CG1 ILE A 14 1.214 5.814 -12.167 1.00 31.53 C ATOM 210 CG2 ILE A 14 1.270 5.501 -9.618 1.00 52.44 C ATOM 211 CD1 ILE A 14 -0.287 6.090 -12.188 1.00 0.52 C ATOM 0 H ILE A 14 2.939 3.730 -12.866 1.00 72.21 H new ATOM 0 HA ILE A 14 3.720 5.745 -11.078 1.00 60.04 H new ATOM 0 HB ILE A 14 1.266 3.933 -11.083 1.00 42.52 H new ATOM 0 HG12 ILE A 14 1.741 6.768 -12.128 1.00 31.53 H new ATOM 0 HG13 ILE A 14 1.491 5.335 -13.106 1.00 31.53 H new ATOM 0 HG21 ILE A 14 0.185 5.608 -9.605 1.00 52.44 H new ATOM 0 HG22 ILE A 14 1.578 4.827 -8.818 1.00 52.44 H new ATOM 0 HG23 ILE A 14 1.732 6.477 -9.468 1.00 52.44 H new ATOM 0 HD11 ILE A 14 -0.530 6.718 -13.045 1.00 0.52 H new ATOM 0 HD12 ILE A 14 -0.829 5.147 -12.264 1.00 0.52 H new ATOM 0 HD13 ILE A 14 -0.576 6.602 -11.270 1.00 0.52 H new ATOM 223 N ALA A 15 3.633 2.641 -9.828 1.00 41.32 N ATOM 224 CA ALA A 15 4.100 1.758 -8.735 1.00 15.24 C ATOM 225 C ALA A 15 5.631 1.875 -8.510 1.00 21.41 C ATOM 226 O ALA A 15 6.106 1.776 -7.372 1.00 43.11 O ATOM 227 CB ALA A 15 3.696 0.303 -9.021 1.00 72.23 C ATOM 0 H ALA A 15 3.168 2.142 -10.586 1.00 41.32 H new ATOM 0 HA ALA A 15 3.617 2.083 -7.813 1.00 15.24 H new ATOM 0 HB1 ALA A 15 4.045 -0.337 -8.211 1.00 72.23 H new ATOM 0 HB2 ALA A 15 2.611 0.235 -9.096 1.00 72.23 H new ATOM 0 HB3 ALA A 15 4.146 -0.022 -9.959 1.00 72.23 H new ATOM 233 N GLU A 16 6.387 2.102 -9.610 1.00 2.21 N ATOM 234 CA GLU A 16 7.845 2.334 -9.544 1.00 54.33 C ATOM 235 C GLU A 16 8.140 3.730 -8.959 1.00 0.11 C ATOM 236 O GLU A 16 8.987 3.859 -8.072 1.00 64.45 O ATOM 237 CB GLU A 16 8.508 2.196 -10.940 1.00 62.24 C ATOM 238 CG GLU A 16 10.043 2.400 -10.915 1.00 32.42 C ATOM 239 CD GLU A 16 10.699 2.406 -12.301 1.00 51.34 C ATOM 240 OE1 GLU A 16 11.022 1.318 -12.825 1.00 45.33 O ATOM 241 OE2 GLU A 16 10.901 3.501 -12.876 1.00 73.10 O ATOM 0 H GLU A 16 6.007 2.129 -10.556 1.00 2.21 H new ATOM 0 HA GLU A 16 8.270 1.572 -8.891 1.00 54.33 H new ATOM 0 HB2 GLU A 16 8.287 1.208 -11.343 1.00 62.24 H new ATOM 0 HB3 GLU A 16 8.063 2.924 -11.619 1.00 62.24 H new ATOM 0 HG2 GLU A 16 10.265 3.344 -10.416 1.00 32.42 H new ATOM 0 HG3 GLU A 16 10.494 1.609 -10.316 1.00 32.42 H new ATOM 248 N GLU A 17 7.414 4.753 -9.460 1.00 13.24 N ATOM 249 CA GLU A 17 7.550 6.157 -9.017 1.00 11.43 C ATOM 250 C GLU A 17 7.313 6.297 -7.509 1.00 23.11 C ATOM 251 O GLU A 17 8.010 7.052 -6.832 1.00 14.13 O ATOM 252 CB GLU A 17 6.571 7.077 -9.796 1.00 63.34 C ATOM 253 CG GLU A 17 7.078 7.534 -11.173 1.00 30.00 C ATOM 254 CD GLU A 17 8.310 8.463 -11.079 1.00 72.24 C ATOM 255 OE1 GLU A 17 8.207 9.544 -10.453 1.00 13.03 O ATOM 256 OE2 GLU A 17 9.385 8.117 -11.610 1.00 54.31 O ATOM 0 H GLU A 17 6.712 4.626 -10.189 1.00 13.24 H new ATOM 0 HA GLU A 17 8.573 6.467 -9.230 1.00 11.43 H new ATOM 0 HB2 GLU A 17 5.626 6.550 -9.928 1.00 63.34 H new ATOM 0 HB3 GLU A 17 6.362 7.959 -9.190 1.00 63.34 H new ATOM 0 HG2 GLU A 17 7.333 6.659 -11.770 1.00 30.00 H new ATOM 0 HG3 GLU A 17 6.276 8.054 -11.696 1.00 30.00 H new ATOM 263 N LEU A 18 6.338 5.541 -7.012 1.00 44.11 N ATOM 264 CA LEU A 18 5.974 5.526 -5.600 1.00 31.22 C ATOM 265 C LEU A 18 7.095 4.900 -4.754 1.00 55.21 C ATOM 266 O LEU A 18 7.442 5.438 -3.703 1.00 21.54 O ATOM 267 CB LEU A 18 4.636 4.770 -5.442 1.00 54.32 C ATOM 268 CG LEU A 18 3.411 5.458 -6.117 1.00 53.51 C ATOM 269 CD1 LEU A 18 2.165 4.574 -6.043 1.00 11.25 C ATOM 270 CD2 LEU A 18 3.148 6.855 -5.521 1.00 70.53 C ATOM 0 H LEU A 18 5.773 4.915 -7.585 1.00 44.11 H new ATOM 0 HA LEU A 18 5.844 6.545 -5.237 1.00 31.22 H new ATOM 0 HB2 LEU A 18 4.749 3.770 -5.860 1.00 54.32 H new ATOM 0 HB3 LEU A 18 4.427 4.649 -4.379 1.00 54.32 H new ATOM 0 HG LEU A 18 3.653 5.595 -7.171 1.00 53.51 H new ATOM 0 HD11 LEU A 18 1.329 5.083 -6.523 1.00 11.25 H new ATOM 0 HD12 LEU A 18 2.357 3.631 -6.554 1.00 11.25 H new ATOM 0 HD13 LEU A 18 1.920 4.378 -4.999 1.00 11.25 H new ATOM 0 HD21 LEU A 18 2.287 7.305 -6.015 1.00 70.53 H new ATOM 0 HD22 LEU A 18 2.947 6.763 -4.454 1.00 70.53 H new ATOM 0 HD23 LEU A 18 4.024 7.486 -5.672 1.00 70.53 H new ATOM 282 N ARG A 19 7.678 3.794 -5.260 1.00 74.35 N ATOM 283 CA ARG A 19 8.782 3.077 -4.591 1.00 30.12 C ATOM 284 C ARG A 19 9.986 3.995 -4.346 1.00 33.31 C ATOM 285 O ARG A 19 10.431 4.144 -3.212 1.00 0.52 O ATOM 286 CB ARG A 19 9.221 1.863 -5.445 1.00 11.42 C ATOM 287 CG ARG A 19 10.419 1.073 -4.865 1.00 60.44 C ATOM 288 CD ARG A 19 10.871 -0.064 -5.784 1.00 72.42 C ATOM 289 NE ARG A 19 9.784 -1.018 -6.063 1.00 53.11 N ATOM 290 CZ ARG A 19 9.591 -2.174 -5.412 1.00 12.42 C ATOM 291 NH1 ARG A 19 10.407 -2.541 -4.431 1.00 70.34 N ATOM 292 NH2 ARG A 19 8.568 -2.946 -5.738 1.00 41.10 N ATOM 0 H ARG A 19 7.396 3.373 -6.145 1.00 74.35 H new ATOM 0 HA ARG A 19 8.415 2.734 -3.624 1.00 30.12 H new ATOM 0 HB2 ARG A 19 8.374 1.186 -5.555 1.00 11.42 H new ATOM 0 HB3 ARG A 19 9.481 2.212 -6.444 1.00 11.42 H new ATOM 0 HG2 ARG A 19 11.253 1.755 -4.698 1.00 60.44 H new ATOM 0 HG3 ARG A 19 10.143 0.663 -3.893 1.00 60.44 H new ATOM 0 HD2 ARG A 19 11.236 0.353 -6.723 1.00 72.42 H new ATOM 0 HD3 ARG A 19 11.706 -0.592 -5.323 1.00 72.42 H new ATOM 0 HE ARG A 19 9.129 -0.781 -6.808 1.00 53.11 H new ATOM 0 HH11 ARG A 19 11.189 -1.942 -4.167 1.00 70.34 H new ATOM 0 HH12 ARG A 19 10.252 -3.422 -3.942 1.00 70.34 H new ATOM 0 HH21 ARG A 19 7.931 -2.661 -6.481 1.00 41.10 H new ATOM 0 HH22 ARG A 19 8.416 -3.827 -5.246 1.00 41.10 H new ATOM 306 N LYS A 20 10.468 4.626 -5.430 1.00 64.42 N ATOM 307 CA LYS A 20 11.672 5.479 -5.395 1.00 35.35 C ATOM 308 C LYS A 20 11.469 6.717 -4.506 1.00 54.30 C ATOM 309 O LYS A 20 12.418 7.167 -3.880 1.00 42.03 O ATOM 310 CB LYS A 20 12.123 5.854 -6.837 1.00 0.30 C ATOM 311 CG LYS A 20 10.996 6.376 -7.755 1.00 72.13 C ATOM 312 CD LYS A 20 11.365 6.364 -9.261 1.00 62.41 C ATOM 313 CE LYS A 20 12.266 7.533 -9.677 1.00 25.13 C ATOM 314 NZ LYS A 20 11.548 8.839 -9.593 1.00 62.33 N ATOM 0 H LYS A 20 10.037 4.561 -6.352 1.00 64.42 H new ATOM 0 HA LYS A 20 12.479 4.905 -4.939 1.00 35.35 H new ATOM 0 HB2 LYS A 20 12.901 6.615 -6.773 1.00 0.30 H new ATOM 0 HB3 LYS A 20 12.573 4.976 -7.301 1.00 0.30 H new ATOM 0 HG2 LYS A 20 10.104 5.768 -7.603 1.00 72.13 H new ATOM 0 HG3 LYS A 20 10.741 7.394 -7.460 1.00 72.13 H new ATOM 0 HD2 LYS A 20 11.868 5.426 -9.497 1.00 62.41 H new ATOM 0 HD3 LYS A 20 10.450 6.392 -9.852 1.00 62.41 H new ATOM 0 HE2 LYS A 20 13.147 7.560 -9.036 1.00 25.13 H new ATOM 0 HE3 LYS A 20 12.619 7.376 -10.696 1.00 25.13 H new ATOM 0 HZ1 LYS A 20 12.183 9.604 -9.898 1.00 62.33 H new ATOM 0 HZ2 LYS A 20 10.712 8.816 -10.211 1.00 62.33 H new ATOM 0 HZ3 LYS A 20 11.248 9.008 -8.612 1.00 62.33 H new ATOM 328 N GLU A 21 10.224 7.225 -4.426 1.00 4.34 N ATOM 329 CA GLU A 21 9.865 8.337 -3.515 1.00 42.43 C ATOM 330 C GLU A 21 9.963 7.923 -2.045 1.00 12.05 C ATOM 331 O GLU A 21 10.372 8.724 -1.200 1.00 21.12 O ATOM 332 CB GLU A 21 8.448 8.851 -3.829 1.00 71.43 C ATOM 333 CG GLU A 21 8.373 9.651 -5.126 1.00 11.53 C ATOM 334 CD GLU A 21 9.186 10.960 -5.091 1.00 41.20 C ATOM 335 OE1 GLU A 21 8.696 11.958 -4.540 1.00 23.20 O ATOM 336 OE2 GLU A 21 10.316 10.996 -5.604 1.00 34.45 O ATOM 0 H GLU A 21 9.443 6.882 -4.985 1.00 4.34 H new ATOM 0 HA GLU A 21 10.583 9.140 -3.681 1.00 42.43 H new ATOM 0 HB2 GLU A 21 7.767 8.003 -3.893 1.00 71.43 H new ATOM 0 HB3 GLU A 21 8.104 9.475 -3.004 1.00 71.43 H new ATOM 0 HG2 GLU A 21 8.733 9.031 -5.947 1.00 11.53 H new ATOM 0 HG3 GLU A 21 7.330 9.886 -5.338 1.00 11.53 H new ATOM 343 N VAL A 22 9.565 6.673 -1.764 1.00 71.11 N ATOM 344 CA VAL A 22 9.695 6.069 -0.432 1.00 50.24 C ATOM 345 C VAL A 22 11.180 5.935 -0.060 1.00 64.44 C ATOM 346 O VAL A 22 11.567 6.256 1.058 1.00 31.40 O ATOM 347 CB VAL A 22 8.989 4.664 -0.374 1.00 2.15 C ATOM 348 CG1 VAL A 22 9.249 3.944 0.955 1.00 65.23 C ATOM 349 CG2 VAL A 22 7.479 4.792 -0.612 1.00 32.25 C ATOM 0 H VAL A 22 9.144 6.053 -2.456 1.00 71.11 H new ATOM 0 HA VAL A 22 9.203 6.722 0.289 1.00 50.24 H new ATOM 0 HB VAL A 22 9.423 4.063 -1.173 1.00 2.15 H new ATOM 0 HG11 VAL A 22 8.743 2.979 0.951 1.00 65.23 H new ATOM 0 HG12 VAL A 22 10.321 3.791 1.082 1.00 65.23 H new ATOM 0 HG13 VAL A 22 8.868 4.550 1.777 1.00 65.23 H new ATOM 0 HG21 VAL A 22 7.018 3.805 -0.566 1.00 32.25 H new ATOM 0 HG22 VAL A 22 7.043 5.432 0.155 1.00 32.25 H new ATOM 0 HG23 VAL A 22 7.301 5.230 -1.594 1.00 32.25 H new ATOM 359 N GLN A 23 11.993 5.508 -1.045 1.00 51.54 N ATOM 360 CA GLN A 23 13.440 5.302 -0.870 1.00 51.01 C ATOM 361 C GLN A 23 14.170 6.641 -0.608 1.00 44.44 C ATOM 362 O GLN A 23 15.166 6.673 0.124 1.00 51.03 O ATOM 363 CB GLN A 23 14.047 4.592 -2.113 1.00 55.10 C ATOM 364 CG GLN A 23 13.397 3.236 -2.482 1.00 63.45 C ATOM 365 CD GLN A 23 13.415 2.175 -1.370 1.00 54.14 C ATOM 366 OE1 GLN A 23 12.498 1.360 -1.269 1.00 43.20 O ATOM 367 NE2 GLN A 23 14.472 2.133 -0.570 1.00 74.14 N ATOM 0 H GLN A 23 11.662 5.296 -1.986 1.00 51.54 H new ATOM 0 HA GLN A 23 13.581 4.663 0.002 1.00 51.01 H new ATOM 0 HB2 GLN A 23 13.965 5.261 -2.970 1.00 55.10 H new ATOM 0 HB3 GLN A 23 15.110 4.430 -1.936 1.00 55.10 H new ATOM 0 HG2 GLN A 23 12.362 3.415 -2.774 1.00 63.45 H new ATOM 0 HG3 GLN A 23 13.909 2.832 -3.355 1.00 63.45 H new ATOM 0 HE21 GLN A 23 15.218 2.820 -0.675 1.00 74.14 H new ATOM 0 HE22 GLN A 23 14.539 1.413 0.150 1.00 74.14 H new ATOM 376 N LYS A 24 13.661 7.739 -1.219 1.00 64.51 N ATOM 377 CA LYS A 24 14.206 9.102 -1.011 1.00 71.13 C ATOM 378 C LYS A 24 13.789 9.652 0.362 1.00 42.34 C ATOM 379 O LYS A 24 14.566 10.354 1.022 1.00 72.22 O ATOM 380 CB LYS A 24 13.737 10.092 -2.115 1.00 61.53 C ATOM 381 CG LYS A 24 14.121 9.725 -3.560 1.00 3.40 C ATOM 382 CD LYS A 24 15.614 9.382 -3.745 1.00 63.54 C ATOM 383 CE LYS A 24 15.940 9.014 -5.203 1.00 2.11 C ATOM 384 NZ LYS A 24 15.025 7.958 -5.729 1.00 63.14 N ATOM 0 H LYS A 24 12.870 7.706 -1.862 1.00 64.51 H new ATOM 0 HA LYS A 24 15.291 9.015 -1.061 1.00 71.13 H new ATOM 0 HB2 LYS A 24 12.652 10.179 -2.060 1.00 61.53 H new ATOM 0 HB3 LYS A 24 14.147 11.076 -1.890 1.00 61.53 H new ATOM 0 HG2 LYS A 24 13.521 8.873 -3.879 1.00 3.40 H new ATOM 0 HG3 LYS A 24 13.866 10.558 -4.215 1.00 3.40 H new ATOM 0 HD2 LYS A 24 16.223 10.233 -3.440 1.00 63.54 H new ATOM 0 HD3 LYS A 24 15.879 8.550 -3.092 1.00 63.54 H new ATOM 0 HE2 LYS A 24 15.864 9.904 -5.828 1.00 2.11 H new ATOM 0 HE3 LYS A 24 16.971 8.666 -5.268 1.00 2.11 H new ATOM 0 HZ1 LYS A 24 15.405 7.582 -6.621 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 14.947 7.188 -5.034 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 14.084 8.367 -5.899 1.00 63.14 H new ATOM 398 N HIS A 25 12.552 9.326 0.773 1.00 61.24 N ATOM 399 CA HIS A 25 11.974 9.790 2.045 1.00 4.30 C ATOM 400 C HIS A 25 12.622 9.044 3.228 1.00 72.24 C ATOM 401 O HIS A 25 12.842 9.621 4.295 1.00 33.53 O ATOM 402 CB HIS A 25 10.429 9.580 2.030 1.00 52.01 C ATOM 403 CG HIS A 25 9.674 10.271 3.146 1.00 40.54 C ATOM 404 ND1 HIS A 25 8.993 11.447 2.925 1.00 70.32 N ATOM 405 CD2 HIS A 25 9.504 9.912 4.447 1.00 1.21 C ATOM 406 CE1 HIS A 25 8.433 11.768 4.077 1.00 11.22 C ATOM 407 NE2 HIS A 25 8.715 10.870 5.028 1.00 2.35 N ATOM 0 H HIS A 25 11.924 8.732 0.231 1.00 61.24 H new ATOM 0 HA HIS A 25 12.177 10.854 2.166 1.00 4.30 H new ATOM 0 HB2 HIS A 25 10.039 9.934 1.076 1.00 52.01 H new ATOM 0 HB3 HIS A 25 10.223 8.511 2.081 1.00 52.01 H new ATOM 0 HD2 HIS A 25 9.913 9.037 4.931 1.00 1.21 H new ATOM 0 HE1 HIS A 25 7.823 12.646 4.232 1.00 11.22 H new ATOM 0 HE2 HIS A 25 8.403 10.894 5.999 1.00 2.35 H new ATOM 415 N ASP A 26 12.943 7.761 3.001 1.00 52.45 N ATOM 416 CA ASP A 26 13.480 6.859 4.025 1.00 74.54 C ATOM 417 C ASP A 26 14.132 5.644 3.305 1.00 33.22 C ATOM 418 O ASP A 26 13.438 4.898 2.606 1.00 45.52 O ATOM 419 CB ASP A 26 12.339 6.414 4.989 1.00 14.30 C ATOM 420 CG ASP A 26 12.801 5.552 6.184 1.00 63.41 C ATOM 421 OD1 ASP A 26 13.424 4.497 5.974 1.00 0.54 O ATOM 422 OD2 ASP A 26 12.490 5.879 7.348 1.00 2.00 O ATOM 0 H ASP A 26 12.835 7.318 2.089 1.00 52.45 H new ATOM 0 HA ASP A 26 14.236 7.361 4.629 1.00 74.54 H new ATOM 0 HB2 ASP A 26 11.839 7.303 5.372 1.00 14.30 H new ATOM 0 HB3 ASP A 26 11.599 5.853 4.419 1.00 14.30 H new ATOM 427 N PRO A 27 15.463 5.393 3.506 1.00 44.13 N ATOM 428 CA PRO A 27 16.209 4.359 2.752 1.00 63.05 C ATOM 429 C PRO A 27 16.143 2.941 3.379 1.00 73.13 C ATOM 430 O PRO A 27 16.788 2.013 2.882 1.00 33.43 O ATOM 431 CB PRO A 27 17.643 4.934 2.793 1.00 42.23 C ATOM 432 CG PRO A 27 17.752 5.591 4.143 1.00 11.02 C ATOM 433 CD PRO A 27 16.348 6.090 4.488 1.00 72.33 C ATOM 0 HA PRO A 27 15.804 4.193 1.754 1.00 63.05 H new ATOM 0 HB2 PRO A 27 18.389 4.148 2.674 1.00 42.23 H new ATOM 0 HB3 PRO A 27 17.805 5.652 1.989 1.00 42.23 H new ATOM 0 HG2 PRO A 27 18.109 4.885 4.892 1.00 11.02 H new ATOM 0 HG3 PRO A 27 18.464 6.416 4.118 1.00 11.02 H new ATOM 0 HD2 PRO A 27 16.078 5.842 5.514 1.00 72.33 H new ATOM 0 HD3 PRO A 27 16.275 7.173 4.392 1.00 72.33 H new ATOM 441 N ASN A 28 15.366 2.780 4.465 1.00 64.21 N ATOM 442 CA ASN A 28 15.280 1.507 5.228 1.00 10.01 C ATOM 443 C ASN A 28 13.859 0.919 5.205 1.00 4.22 C ATOM 444 O ASN A 28 13.594 -0.075 5.891 1.00 1.25 O ATOM 445 CB ASN A 28 15.752 1.726 6.698 1.00 35.23 C ATOM 446 CG ASN A 28 17.232 2.132 6.819 1.00 2.12 C ATOM 447 OD1 ASN A 28 18.068 1.779 5.984 1.00 43.25 O ATOM 448 ND2 ASN A 28 17.571 2.866 7.868 1.00 11.44 N ATOM 0 H ASN A 28 14.778 3.523 4.843 1.00 64.21 H new ATOM 0 HA ASN A 28 15.940 0.788 4.743 1.00 10.01 H new ATOM 0 HB2 ASN A 28 15.134 2.497 7.157 1.00 35.23 H new ATOM 0 HB3 ASN A 28 15.589 0.808 7.263 1.00 35.23 H new ATOM 0 HD21 ASN A 28 18.541 3.151 7.999 1.00 11.44 H new ATOM 0 HD22 ASN A 28 16.862 3.146 8.545 1.00 11.44 H new ATOM 455 N VAL A 29 12.944 1.522 4.422 1.00 12.22 N ATOM 456 CA VAL A 29 11.577 0.982 4.241 1.00 52.14 C ATOM 457 C VAL A 29 11.604 -0.239 3.300 1.00 42.53 C ATOM 458 O VAL A 29 12.387 -0.277 2.339 1.00 72.01 O ATOM 459 CB VAL A 29 10.585 2.054 3.653 1.00 45.43 C ATOM 460 CG1 VAL A 29 9.146 1.491 3.497 1.00 34.42 C ATOM 461 CG2 VAL A 29 10.571 3.325 4.513 1.00 14.41 C ATOM 0 H VAL A 29 13.124 2.382 3.904 1.00 12.22 H new ATOM 0 HA VAL A 29 11.221 0.691 5.229 1.00 52.14 H new ATOM 0 HB VAL A 29 10.950 2.311 2.658 1.00 45.43 H new ATOM 0 HG11 VAL A 29 8.495 2.264 3.088 1.00 34.42 H new ATOM 0 HG12 VAL A 29 9.161 0.635 2.822 1.00 34.42 H new ATOM 0 HG13 VAL A 29 8.770 1.178 4.471 1.00 34.42 H new ATOM 0 HG21 VAL A 29 9.877 4.048 4.083 1.00 14.41 H new ATOM 0 HG22 VAL A 29 10.254 3.076 5.526 1.00 14.41 H new ATOM 0 HG23 VAL A 29 11.572 3.756 4.542 1.00 14.41 H new ATOM 471 N LYS A 30 10.754 -1.232 3.598 1.00 24.44 N ATOM 472 CA LYS A 30 10.522 -2.386 2.724 1.00 70.22 C ATOM 473 C LYS A 30 9.561 -1.998 1.590 1.00 3.33 C ATOM 474 O LYS A 30 8.609 -1.257 1.809 1.00 71.14 O ATOM 475 CB LYS A 30 9.954 -3.571 3.554 1.00 75.20 C ATOM 476 CG LYS A 30 10.976 -4.233 4.499 1.00 21.13 C ATOM 477 CD LYS A 30 12.162 -4.847 3.721 1.00 1.04 C ATOM 478 CE LYS A 30 11.728 -5.973 2.764 1.00 21.41 C ATOM 479 NZ LYS A 30 12.861 -6.489 1.951 1.00 71.44 N ATOM 0 H LYS A 30 10.206 -1.255 4.458 1.00 24.44 H new ATOM 0 HA LYS A 30 11.466 -2.700 2.280 1.00 70.22 H new ATOM 0 HB2 LYS A 30 9.110 -3.214 4.144 1.00 75.20 H new ATOM 0 HB3 LYS A 30 9.568 -4.326 2.869 1.00 75.20 H new ATOM 0 HG2 LYS A 30 11.350 -3.493 5.207 1.00 21.13 H new ATOM 0 HG3 LYS A 30 10.482 -5.010 5.082 1.00 21.13 H new ATOM 0 HD2 LYS A 30 12.661 -4.064 3.151 1.00 1.04 H new ATOM 0 HD3 LYS A 30 12.891 -5.239 4.430 1.00 1.04 H new ATOM 0 HE2 LYS A 30 11.295 -6.791 3.341 1.00 21.41 H new ATOM 0 HE3 LYS A 30 10.947 -5.602 2.101 1.00 21.41 H new ATOM 0 HZ1 LYS A 30 12.751 -7.514 1.814 1.00 71.44 H new ATOM 0 HZ2 LYS A 30 12.868 -6.015 1.025 1.00 71.44 H new ATOM 0 HZ3 LYS A 30 13.757 -6.300 2.444 1.00 71.44 H new ATOM 493 N THR A 31 9.831 -2.485 0.380 1.00 65.11 N ATOM 494 CA THR A 31 8.988 -2.236 -0.811 1.00 54.22 C ATOM 495 C THR A 31 8.940 -3.517 -1.656 1.00 73.24 C ATOM 496 O THR A 31 9.987 -4.061 -2.017 1.00 72.13 O ATOM 497 CB THR A 31 9.514 -1.025 -1.666 1.00 25.43 C ATOM 498 OG1 THR A 31 10.938 -1.136 -1.862 1.00 55.14 O ATOM 499 CG2 THR A 31 9.180 0.348 -1.040 1.00 15.01 C ATOM 0 H THR A 31 10.645 -3.069 0.187 1.00 65.11 H new ATOM 0 HA THR A 31 7.985 -1.969 -0.478 1.00 54.22 H new ATOM 0 HB THR A 31 8.998 -1.074 -2.625 1.00 25.43 H new ATOM 0 HG1 THR A 31 11.365 -0.280 -1.648 1.00 55.14 H new ATOM 0 HG21 THR A 31 9.569 1.143 -1.677 1.00 15.01 H new ATOM 0 HG22 THR A 31 8.099 0.453 -0.949 1.00 15.01 H new ATOM 0 HG23 THR A 31 9.636 0.418 -0.052 1.00 15.01 H new ATOM 507 N VAL A 32 7.718 -4.011 -1.944 1.00 0.43 N ATOM 508 CA VAL A 32 7.489 -5.329 -2.579 1.00 74.24 C ATOM 509 C VAL A 32 6.448 -5.201 -3.713 1.00 21.14 C ATOM 510 O VAL A 32 5.379 -4.655 -3.477 1.00 74.24 O ATOM 511 CB VAL A 32 6.975 -6.379 -1.513 1.00 13.34 C ATOM 512 CG1 VAL A 32 6.704 -7.760 -2.149 1.00 71.21 C ATOM 513 CG2 VAL A 32 7.964 -6.507 -0.338 1.00 73.30 C ATOM 0 H VAL A 32 6.856 -3.505 -1.742 1.00 0.43 H new ATOM 0 HA VAL A 32 8.436 -5.676 -2.992 1.00 74.24 H new ATOM 0 HB VAL A 32 6.028 -6.004 -1.126 1.00 13.34 H new ATOM 0 HG11 VAL A 32 6.353 -8.451 -1.383 1.00 71.21 H new ATOM 0 HG12 VAL A 32 5.944 -7.661 -2.924 1.00 71.21 H new ATOM 0 HG13 VAL A 32 7.624 -8.144 -2.590 1.00 71.21 H new ATOM 0 HG21 VAL A 32 7.585 -7.235 0.379 1.00 73.30 H new ATOM 0 HG22 VAL A 32 8.933 -6.837 -0.712 1.00 73.30 H new ATOM 0 HG23 VAL A 32 8.074 -5.539 0.152 1.00 73.30 H new ATOM 523 N PRO A 33 6.739 -5.688 -4.966 1.00 11.44 N ATOM 524 CA PRO A 33 5.769 -5.662 -6.084 1.00 55.52 C ATOM 525 C PRO A 33 4.857 -6.919 -6.139 1.00 42.14 C ATOM 526 O PRO A 33 4.964 -7.827 -5.304 1.00 75.54 O ATOM 527 CB PRO A 33 6.705 -5.566 -7.310 1.00 41.43 C ATOM 528 CG PRO A 33 7.939 -6.345 -6.921 1.00 61.31 C ATOM 529 CD PRO A 33 8.039 -6.283 -5.397 1.00 15.32 C ATOM 0 HA PRO A 33 5.050 -4.847 -6.006 1.00 55.52 H new ATOM 0 HB2 PRO A 33 6.236 -5.988 -8.199 1.00 41.43 H new ATOM 0 HB3 PRO A 33 6.949 -4.529 -7.540 1.00 41.43 H new ATOM 0 HG2 PRO A 33 7.867 -7.378 -7.262 1.00 61.31 H new ATOM 0 HG3 PRO A 33 8.828 -5.917 -7.384 1.00 61.31 H new ATOM 0 HD2 PRO A 33 8.185 -7.274 -4.967 1.00 15.32 H new ATOM 0 HD3 PRO A 33 8.882 -5.670 -5.078 1.00 15.32 H new ATOM 537 N THR A 34 3.982 -6.948 -7.162 1.00 70.02 N ATOM 538 CA THR A 34 2.952 -7.995 -7.362 1.00 51.20 C ATOM 539 C THR A 34 3.561 -9.395 -7.596 1.00 62.13 C ATOM 540 O THR A 34 3.040 -10.404 -7.102 1.00 64.22 O ATOM 541 CB THR A 34 2.046 -7.627 -8.580 1.00 64.33 C ATOM 542 OG1 THR A 34 2.873 -7.433 -9.745 1.00 31.05 O ATOM 543 CG2 THR A 34 1.223 -6.357 -8.332 1.00 62.43 C ATOM 0 H THR A 34 3.968 -6.232 -7.889 1.00 70.02 H new ATOM 0 HA THR A 34 2.365 -8.036 -6.444 1.00 51.20 H new ATOM 0 HB THR A 34 1.348 -8.450 -8.731 1.00 64.33 H new ATOM 0 HG1 THR A 34 2.308 -7.204 -10.512 1.00 31.05 H new ATOM 0 HG21 THR A 34 0.610 -6.144 -9.208 1.00 62.43 H new ATOM 0 HG22 THR A 34 0.579 -6.504 -7.465 1.00 62.43 H new ATOM 0 HG23 THR A 34 1.895 -5.519 -8.146 1.00 62.43 H new ATOM 551 N LYS A 35 4.676 -9.434 -8.355 1.00 13.33 N ATOM 552 CA LYS A 35 5.360 -10.697 -8.734 1.00 50.23 C ATOM 553 C LYS A 35 6.114 -11.345 -7.541 1.00 63.24 C ATOM 554 O LYS A 35 6.740 -12.398 -7.692 1.00 24.50 O ATOM 555 CB LYS A 35 6.277 -10.475 -9.988 1.00 71.41 C ATOM 556 CG LYS A 35 7.288 -9.289 -9.929 1.00 62.33 C ATOM 557 CD LYS A 35 8.477 -9.506 -8.960 1.00 74.52 C ATOM 558 CE LYS A 35 9.344 -10.731 -9.310 1.00 41.31 C ATOM 559 NZ LYS A 35 10.312 -11.055 -8.222 1.00 31.34 N ATOM 0 H LYS A 35 5.129 -8.597 -8.723 1.00 13.33 H new ATOM 0 HA LYS A 35 4.594 -11.419 -9.016 1.00 50.23 H new ATOM 0 HB2 LYS A 35 6.841 -11.392 -10.161 1.00 71.41 H new ATOM 0 HB3 LYS A 35 5.634 -10.328 -10.856 1.00 71.41 H new ATOM 0 HG2 LYS A 35 7.680 -9.112 -10.931 1.00 62.33 H new ATOM 0 HG3 LYS A 35 6.753 -8.387 -9.632 1.00 62.33 H new ATOM 0 HD2 LYS A 35 9.104 -8.615 -8.963 1.00 74.52 H new ATOM 0 HD3 LYS A 35 8.092 -9.621 -7.947 1.00 74.52 H new ATOM 0 HE2 LYS A 35 8.700 -11.592 -9.492 1.00 41.31 H new ATOM 0 HE3 LYS A 35 9.888 -10.539 -10.235 1.00 41.31 H new ATOM 0 HZ1 LYS A 35 11.017 -11.733 -8.575 1.00 31.34 H new ATOM 0 HZ2 LYS A 35 10.792 -10.185 -7.914 1.00 31.34 H new ATOM 0 HZ3 LYS A 35 9.803 -11.473 -7.417 1.00 31.34 H new ATOM 573 N ASP A 36 6.068 -10.690 -6.371 1.00 3.13 N ATOM 574 CA ASP A 36 6.601 -11.236 -5.113 1.00 32.50 C ATOM 575 C ASP A 36 5.452 -11.453 -4.121 1.00 1.14 C ATOM 576 O ASP A 36 5.628 -11.255 -2.921 1.00 12.11 O ATOM 577 CB ASP A 36 7.687 -10.282 -4.525 1.00 62.14 C ATOM 578 CG ASP A 36 9.020 -10.350 -5.278 1.00 13.41 C ATOM 579 OD1 ASP A 36 9.605 -11.450 -5.351 1.00 71.53 O ATOM 580 OD2 ASP A 36 9.480 -9.332 -5.823 1.00 14.22 O ATOM 0 H ASP A 36 5.658 -9.762 -6.270 1.00 3.13 H new ATOM 0 HA ASP A 36 7.076 -12.198 -5.306 1.00 32.50 H new ATOM 0 HB2 ASP A 36 7.314 -9.258 -4.550 1.00 62.14 H new ATOM 0 HB3 ASP A 36 7.855 -10.534 -3.478 1.00 62.14 H new ATOM 585 N LYS A 37 4.291 -11.911 -4.635 1.00 12.42 N ATOM 586 CA LYS A 37 3.076 -12.190 -3.826 1.00 1.01 C ATOM 587 C LYS A 37 3.369 -13.211 -2.701 1.00 71.42 C ATOM 588 O LYS A 37 2.986 -13.016 -1.543 1.00 21.55 O ATOM 589 CB LYS A 37 1.960 -12.747 -4.736 1.00 31.44 C ATOM 590 CG LYS A 37 0.570 -12.915 -4.064 1.00 61.33 C ATOM 591 CD LYS A 37 -0.346 -13.967 -4.748 1.00 33.35 C ATOM 592 CE LYS A 37 -0.374 -13.894 -6.293 1.00 41.44 C ATOM 593 NZ LYS A 37 0.797 -14.576 -6.926 1.00 64.52 N ATOM 0 H LYS A 37 4.165 -12.100 -5.629 1.00 12.42 H new ATOM 0 HA LYS A 37 2.757 -11.254 -3.369 1.00 1.01 H new ATOM 0 HB2 LYS A 37 1.851 -12.085 -5.595 1.00 31.44 H new ATOM 0 HB3 LYS A 37 2.278 -13.716 -5.120 1.00 31.44 H new ATOM 0 HG2 LYS A 37 0.715 -13.199 -3.022 1.00 61.33 H new ATOM 0 HG3 LYS A 37 0.060 -11.951 -4.064 1.00 61.33 H new ATOM 0 HD2 LYS A 37 -0.017 -14.963 -4.451 1.00 33.35 H new ATOM 0 HD3 LYS A 37 -1.362 -13.842 -4.374 1.00 33.35 H new ATOM 0 HE2 LYS A 37 -1.295 -14.350 -6.657 1.00 41.44 H new ATOM 0 HE3 LYS A 37 -0.391 -12.849 -6.603 1.00 41.44 H new ATOM 0 HZ1 LYS A 37 0.480 -15.106 -7.763 1.00 64.52 H new ATOM 0 HZ2 LYS A 37 1.500 -13.865 -7.212 1.00 64.52 H new ATOM 0 HZ3 LYS A 37 1.227 -15.232 -6.244 1.00 64.52 H new ATOM 607 N GLU A 38 4.077 -14.281 -3.087 1.00 63.10 N ATOM 608 CA GLU A 38 4.503 -15.364 -2.182 1.00 34.25 C ATOM 609 C GLU A 38 5.552 -14.864 -1.173 1.00 22.43 C ATOM 610 O GLU A 38 5.759 -15.481 -0.130 1.00 33.15 O ATOM 611 CB GLU A 38 5.073 -16.558 -2.999 1.00 3.51 C ATOM 612 CG GLU A 38 4.041 -17.340 -3.846 1.00 74.42 C ATOM 613 CD GLU A 38 3.365 -16.519 -4.961 1.00 62.42 C ATOM 614 OE1 GLU A 38 4.068 -16.062 -5.878 1.00 15.42 O ATOM 615 OE2 GLU A 38 2.137 -16.308 -4.918 1.00 1.33 O ATOM 0 H GLU A 38 4.376 -14.423 -4.052 1.00 63.10 H new ATOM 0 HA GLU A 38 3.628 -15.700 -1.625 1.00 34.25 H new ATOM 0 HB2 GLU A 38 5.852 -16.182 -3.663 1.00 3.51 H new ATOM 0 HB3 GLU A 38 5.551 -17.253 -2.308 1.00 3.51 H new ATOM 0 HG2 GLU A 38 4.538 -18.199 -4.297 1.00 74.42 H new ATOM 0 HG3 GLU A 38 3.269 -17.731 -3.183 1.00 74.42 H new ATOM 622 N LYS A 39 6.243 -13.777 -1.535 1.00 50.42 N ATOM 623 CA LYS A 39 7.329 -13.184 -0.736 1.00 15.33 C ATOM 624 C LYS A 39 6.805 -12.094 0.238 1.00 54.54 C ATOM 625 O LYS A 39 7.468 -11.817 1.241 1.00 62.12 O ATOM 626 CB LYS A 39 8.434 -12.602 -1.704 1.00 11.41 C ATOM 627 CG LYS A 39 9.817 -13.275 -1.586 1.00 65.11 C ATOM 628 CD LYS A 39 10.427 -13.084 -0.186 1.00 31.53 C ATOM 629 CE LYS A 39 11.793 -13.750 -0.008 1.00 64.33 C ATOM 630 NZ LYS A 39 12.246 -13.634 1.399 1.00 34.44 N ATOM 0 H LYS A 39 6.063 -13.275 -2.404 1.00 50.42 H new ATOM 0 HA LYS A 39 7.769 -13.966 -0.118 1.00 15.33 H new ATOM 0 HB2 LYS A 39 8.085 -12.700 -2.732 1.00 11.41 H new ATOM 0 HB3 LYS A 39 8.546 -11.536 -1.505 1.00 11.41 H new ATOM 0 HG2 LYS A 39 9.723 -14.340 -1.799 1.00 65.11 H new ATOM 0 HG3 LYS A 39 10.489 -12.858 -2.336 1.00 65.11 H new ATOM 0 HD2 LYS A 39 10.525 -12.017 0.014 1.00 31.53 H new ATOM 0 HD3 LYS A 39 9.738 -13.486 0.557 1.00 31.53 H new ATOM 0 HE2 LYS A 39 11.732 -14.801 -0.291 1.00 64.33 H new ATOM 0 HE3 LYS A 39 12.521 -13.283 -0.671 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 13.284 -13.567 1.425 1.00 34.44 H new ATOM 0 HZ2 LYS A 39 11.833 -12.781 1.827 1.00 34.44 H new ATOM 0 HZ3 LYS A 39 11.940 -14.472 1.933 1.00 34.44 H new ATOM 644 N VAL A 40 5.603 -11.517 -0.056 1.00 54.33 N ATOM 645 CA VAL A 40 5.049 -10.337 0.670 1.00 62.02 C ATOM 646 C VAL A 40 5.016 -10.552 2.197 1.00 11.51 C ATOM 647 O VAL A 40 5.510 -9.708 2.947 1.00 42.34 O ATOM 648 CB VAL A 40 3.585 -9.962 0.181 1.00 63.01 C ATOM 649 CG1 VAL A 40 2.952 -8.842 1.044 1.00 62.40 C ATOM 650 CG2 VAL A 40 3.564 -9.549 -1.306 1.00 42.12 C ATOM 0 H VAL A 40 4.994 -11.857 -0.800 1.00 54.33 H new ATOM 0 HA VAL A 40 5.726 -9.515 0.438 1.00 62.02 H new ATOM 0 HB VAL A 40 2.987 -10.866 0.299 1.00 63.01 H new ATOM 0 HG11 VAL A 40 1.952 -8.618 0.673 1.00 62.40 H new ATOM 0 HG12 VAL A 40 2.889 -9.173 2.081 1.00 62.40 H new ATOM 0 HG13 VAL A 40 3.569 -7.945 0.986 1.00 62.40 H new ATOM 0 HG21 VAL A 40 2.544 -9.301 -1.600 1.00 42.12 H new ATOM 0 HG22 VAL A 40 4.206 -8.680 -1.451 1.00 42.12 H new ATOM 0 HG23 VAL A 40 3.927 -10.375 -1.918 1.00 42.12 H new ATOM 660 N LYS A 41 4.463 -11.703 2.621 1.00 0.14 N ATOM 661 CA LYS A 41 4.221 -12.020 4.040 1.00 40.25 C ATOM 662 C LYS A 41 5.537 -12.071 4.852 1.00 61.54 C ATOM 663 O LYS A 41 5.572 -11.624 6.008 1.00 32.21 O ATOM 664 CB LYS A 41 3.457 -13.364 4.134 1.00 21.41 C ATOM 665 CG LYS A 41 3.069 -13.792 5.561 1.00 62.41 C ATOM 666 CD LYS A 41 2.364 -15.169 5.598 1.00 71.22 C ATOM 667 CE LYS A 41 1.865 -15.555 6.997 1.00 33.05 C ATOM 668 NZ LYS A 41 1.155 -16.863 6.999 1.00 60.12 N ATOM 0 H LYS A 41 4.170 -12.444 1.984 1.00 0.14 H new ATOM 0 HA LYS A 41 3.617 -11.225 4.477 1.00 40.25 H new ATOM 0 HB2 LYS A 41 2.551 -13.292 3.533 1.00 21.41 H new ATOM 0 HB3 LYS A 41 4.073 -14.147 3.691 1.00 21.41 H new ATOM 0 HG2 LYS A 41 3.965 -13.830 6.181 1.00 62.41 H new ATOM 0 HG3 LYS A 41 2.411 -13.039 5.996 1.00 62.41 H new ATOM 0 HD2 LYS A 41 1.520 -15.156 4.909 1.00 71.22 H new ATOM 0 HD3 LYS A 41 3.055 -15.933 5.242 1.00 71.22 H new ATOM 0 HE2 LYS A 41 2.711 -15.602 7.683 1.00 33.05 H new ATOM 0 HE3 LYS A 41 1.196 -14.779 7.369 1.00 33.05 H new ATOM 0 HZ1 LYS A 41 0.836 -17.083 7.964 1.00 60.12 H new ATOM 0 HZ2 LYS A 41 0.332 -16.812 6.365 1.00 60.12 H new ATOM 0 HZ3 LYS A 41 1.800 -17.609 6.669 1.00 60.12 H new ATOM 682 N GLU A 42 6.616 -12.598 4.223 1.00 10.14 N ATOM 683 CA GLU A 42 7.958 -12.647 4.838 1.00 34.35 C ATOM 684 C GLU A 42 8.500 -11.225 5.057 1.00 62.04 C ATOM 685 O GLU A 42 9.120 -10.938 6.079 1.00 52.12 O ATOM 686 CB GLU A 42 8.960 -13.447 3.960 1.00 61.40 C ATOM 687 CG GLU A 42 8.555 -14.902 3.675 1.00 71.24 C ATOM 688 CD GLU A 42 9.668 -15.713 2.995 1.00 32.20 C ATOM 689 OE1 GLU A 42 10.523 -16.287 3.707 1.00 13.40 O ATOM 690 OE2 GLU A 42 9.716 -15.760 1.753 1.00 12.25 O ATOM 0 H GLU A 42 6.578 -12.996 3.285 1.00 10.14 H new ATOM 0 HA GLU A 42 7.857 -13.154 5.798 1.00 34.35 H new ATOM 0 HB2 GLU A 42 9.083 -12.927 3.010 1.00 61.40 H new ATOM 0 HB3 GLU A 42 9.933 -13.446 4.452 1.00 61.40 H new ATOM 0 HG2 GLU A 42 8.280 -15.387 4.612 1.00 71.24 H new ATOM 0 HG3 GLU A 42 7.669 -14.909 3.041 1.00 71.24 H new ATOM 697 N GLU A 43 8.243 -10.342 4.084 1.00 24.41 N ATOM 698 CA GLU A 43 8.780 -8.971 4.088 1.00 51.53 C ATOM 699 C GLU A 43 7.979 -8.059 5.041 1.00 22.32 C ATOM 700 O GLU A 43 8.511 -7.061 5.539 1.00 41.20 O ATOM 701 CB GLU A 43 8.805 -8.399 2.649 1.00 61.44 C ATOM 702 CG GLU A 43 9.457 -9.322 1.589 1.00 41.11 C ATOM 703 CD GLU A 43 10.811 -9.921 2.015 1.00 75.40 C ATOM 704 OE1 GLU A 43 11.815 -9.184 2.043 1.00 4.21 O ATOM 705 OE2 GLU A 43 10.873 -11.128 2.346 1.00 51.24 O ATOM 0 H GLU A 43 7.660 -10.554 3.274 1.00 24.41 H new ATOM 0 HA GLU A 43 9.804 -9.005 4.459 1.00 51.53 H new ATOM 0 HB2 GLU A 43 7.782 -8.184 2.342 1.00 61.44 H new ATOM 0 HB3 GLU A 43 9.340 -7.450 2.661 1.00 61.44 H new ATOM 0 HG2 GLU A 43 8.769 -10.136 1.361 1.00 41.11 H new ATOM 0 HG3 GLU A 43 9.597 -8.756 0.668 1.00 41.11 H new ATOM 712 N ILE A 44 6.687 -8.405 5.259 1.00 70.35 N ATOM 713 CA ILE A 44 5.838 -7.772 6.291 1.00 21.44 C ATOM 714 C ILE A 44 6.371 -8.141 7.680 1.00 72.24 C ATOM 715 O ILE A 44 6.444 -7.297 8.571 1.00 1.42 O ATOM 716 CB ILE A 44 4.328 -8.222 6.183 1.00 11.55 C ATOM 717 CG1 ILE A 44 3.699 -7.750 4.842 1.00 15.15 C ATOM 718 CG2 ILE A 44 3.487 -7.721 7.393 1.00 75.53 C ATOM 719 CD1 ILE A 44 2.259 -8.178 4.640 1.00 71.51 C ATOM 0 H ILE A 44 6.207 -9.129 4.724 1.00 70.35 H new ATOM 0 HA ILE A 44 5.877 -6.694 6.133 1.00 21.44 H new ATOM 0 HB ILE A 44 4.315 -9.312 6.203 1.00 11.55 H new ATOM 0 HG12 ILE A 44 3.752 -6.662 4.793 1.00 15.15 H new ATOM 0 HG13 ILE A 44 4.299 -8.136 4.018 1.00 15.15 H new ATOM 0 HG21 ILE A 44 2.455 -8.052 7.280 1.00 75.53 H new ATOM 0 HG22 ILE A 44 3.900 -8.128 8.316 1.00 75.53 H new ATOM 0 HG23 ILE A 44 3.517 -6.632 7.431 1.00 75.53 H new ATOM 0 HD11 ILE A 44 1.900 -7.806 3.680 1.00 71.51 H new ATOM 0 HD12 ILE A 44 2.198 -9.266 4.654 1.00 71.51 H new ATOM 0 HD13 ILE A 44 1.642 -7.770 5.441 1.00 71.51 H new ATOM 731 N GLU A 45 6.735 -9.428 7.831 1.00 31.31 N ATOM 732 CA GLU A 45 7.312 -9.974 9.064 1.00 41.05 C ATOM 733 C GLU A 45 8.633 -9.249 9.405 1.00 1.43 C ATOM 734 O GLU A 45 8.886 -8.938 10.573 1.00 30.52 O ATOM 735 CB GLU A 45 7.537 -11.498 8.898 1.00 53.12 C ATOM 736 CG GLU A 45 8.038 -12.218 10.163 1.00 54.43 C ATOM 737 CD GLU A 45 8.334 -13.704 9.925 1.00 4.44 C ATOM 738 OE1 GLU A 45 7.387 -14.523 9.910 1.00 73.12 O ATOM 739 OE2 GLU A 45 9.517 -14.063 9.735 1.00 63.22 O ATOM 0 H GLU A 45 6.634 -10.122 7.090 1.00 31.31 H new ATOM 0 HA GLU A 45 6.621 -9.812 9.892 1.00 41.05 H new ATOM 0 HB2 GLU A 45 6.600 -11.957 8.583 1.00 53.12 H new ATOM 0 HB3 GLU A 45 8.257 -11.660 8.096 1.00 53.12 H new ATOM 0 HG2 GLU A 45 8.942 -11.725 10.522 1.00 54.43 H new ATOM 0 HG3 GLU A 45 7.290 -12.123 10.950 1.00 54.43 H new ATOM 746 N LYS A 46 9.434 -8.954 8.351 1.00 33.34 N ATOM 747 CA LYS A 46 10.695 -8.191 8.471 1.00 2.54 C ATOM 748 C LYS A 46 10.421 -6.752 8.922 1.00 51.52 C ATOM 749 O LYS A 46 11.039 -6.266 9.869 1.00 35.30 O ATOM 750 CB LYS A 46 11.471 -8.171 7.129 1.00 0.21 C ATOM 751 CG LYS A 46 11.992 -9.544 6.685 1.00 51.14 C ATOM 752 CD LYS A 46 12.734 -9.483 5.335 1.00 62.22 C ATOM 753 CE LYS A 46 13.195 -10.868 4.865 1.00 14.22 C ATOM 754 NZ LYS A 46 12.063 -11.830 4.816 1.00 5.43 N ATOM 0 H LYS A 46 9.221 -9.240 7.395 1.00 33.34 H new ATOM 0 HA LYS A 46 11.306 -8.692 9.222 1.00 2.54 H new ATOM 0 HB2 LYS A 46 10.820 -7.773 6.351 1.00 0.21 H new ATOM 0 HB3 LYS A 46 12.314 -7.486 7.220 1.00 0.21 H new ATOM 0 HG2 LYS A 46 12.663 -9.939 7.448 1.00 51.14 H new ATOM 0 HG3 LYS A 46 11.156 -10.239 6.606 1.00 51.14 H new ATOM 0 HD2 LYS A 46 12.079 -9.045 4.582 1.00 62.22 H new ATOM 0 HD3 LYS A 46 13.599 -8.826 5.427 1.00 62.22 H new ATOM 0 HE2 LYS A 46 13.648 -10.786 3.877 1.00 14.22 H new ATOM 0 HE3 LYS A 46 13.965 -11.244 5.538 1.00 14.22 H new ATOM 0 HZ1 LYS A 46 12.391 -12.732 4.415 1.00 5.43 H new ATOM 0 HZ2 LYS A 46 11.702 -11.990 5.778 1.00 5.43 H new ATOM 0 HZ3 LYS A 46 11.303 -11.442 4.221 1.00 5.43 H new ATOM 768 N ALA A 47 9.476 -6.095 8.228 1.00 13.11 N ATOM 769 CA ALA A 47 9.088 -4.707 8.511 1.00 74.34 C ATOM 770 C ALA A 47 8.624 -4.564 9.971 1.00 61.10 C ATOM 771 O ALA A 47 9.091 -3.690 10.692 1.00 52.24 O ATOM 772 CB ALA A 47 7.996 -4.253 7.532 1.00 34.15 C ATOM 0 H ALA A 47 8.960 -6.514 7.454 1.00 13.11 H new ATOM 0 HA ALA A 47 9.956 -4.062 8.374 1.00 74.34 H new ATOM 0 HB1 ALA A 47 7.716 -3.223 7.751 1.00 34.15 H new ATOM 0 HB2 ALA A 47 8.373 -4.317 6.511 1.00 34.15 H new ATOM 0 HB3 ALA A 47 7.122 -4.896 7.637 1.00 34.15 H new ATOM 778 N ARG A 48 7.780 -5.508 10.404 1.00 52.40 N ATOM 779 CA ARG A 48 7.189 -5.512 11.748 1.00 2.03 C ATOM 780 C ARG A 48 8.267 -5.630 12.845 1.00 0.02 C ATOM 781 O ARG A 48 8.321 -4.798 13.758 1.00 24.43 O ATOM 782 CB ARG A 48 6.175 -6.682 11.877 1.00 64.23 C ATOM 783 CG ARG A 48 5.541 -6.799 13.276 1.00 42.21 C ATOM 784 CD ARG A 48 4.577 -7.986 13.416 1.00 71.23 C ATOM 785 NE ARG A 48 4.005 -8.043 14.771 1.00 35.02 N ATOM 786 CZ ARG A 48 3.191 -9.000 15.228 1.00 23.41 C ATOM 787 NH1 ARG A 48 2.827 -10.008 14.453 1.00 33.35 N ATOM 788 NH2 ARG A 48 2.725 -8.927 16.461 1.00 23.31 N ATOM 0 H ARG A 48 7.486 -6.296 9.828 1.00 52.40 H new ATOM 0 HA ARG A 48 6.673 -4.562 11.887 1.00 2.03 H new ATOM 0 HB2 ARG A 48 5.384 -6.549 11.139 1.00 64.23 H new ATOM 0 HB3 ARG A 48 6.680 -7.618 11.637 1.00 64.23 H new ATOM 0 HG2 ARG A 48 6.334 -6.896 14.018 1.00 42.21 H new ATOM 0 HG3 ARG A 48 5.004 -5.877 13.501 1.00 42.21 H new ATOM 0 HD2 ARG A 48 3.776 -7.897 12.682 1.00 71.23 H new ATOM 0 HD3 ARG A 48 5.105 -8.915 13.201 1.00 71.23 H new ATOM 0 HE ARG A 48 4.250 -7.290 15.414 1.00 35.02 H new ATOM 0 HH11 ARG A 48 3.168 -10.062 13.493 1.00 33.35 H new ATOM 0 HH12 ARG A 48 2.205 -10.731 14.815 1.00 33.35 H new ATOM 0 HH21 ARG A 48 2.986 -8.143 17.059 1.00 23.31 H new ATOM 0 HH22 ARG A 48 2.104 -9.654 16.815 1.00 23.31 H new ATOM 802 N LYS A 49 9.146 -6.641 12.710 1.00 43.13 N ATOM 803 CA LYS A 49 10.136 -6.988 13.755 1.00 1.45 C ATOM 804 C LYS A 49 11.234 -5.914 13.897 1.00 1.23 C ATOM 805 O LYS A 49 11.837 -5.778 14.966 1.00 2.23 O ATOM 806 CB LYS A 49 10.789 -8.365 13.468 1.00 43.10 C ATOM 807 CG LYS A 49 11.612 -8.435 12.159 1.00 34.12 C ATOM 808 CD LYS A 49 12.391 -9.754 12.008 1.00 44.05 C ATOM 809 CE LYS A 49 11.490 -11.000 11.966 1.00 11.44 C ATOM 810 NZ LYS A 49 12.278 -12.241 12.184 1.00 12.43 N ATOM 0 H LYS A 49 9.193 -7.237 11.883 1.00 43.13 H new ATOM 0 HA LYS A 49 9.589 -7.038 14.696 1.00 1.45 H new ATOM 0 HB2 LYS A 49 11.440 -8.624 14.303 1.00 43.10 H new ATOM 0 HB3 LYS A 49 10.005 -9.121 13.428 1.00 43.10 H new ATOM 0 HG2 LYS A 49 10.941 -8.316 11.308 1.00 34.12 H new ATOM 0 HG3 LYS A 49 12.313 -7.600 12.132 1.00 34.12 H new ATOM 0 HD2 LYS A 49 12.984 -9.714 11.094 1.00 44.05 H new ATOM 0 HD3 LYS A 49 13.091 -9.850 12.838 1.00 44.05 H new ATOM 0 HE2 LYS A 49 10.716 -10.918 12.730 1.00 11.44 H new ATOM 0 HE3 LYS A 49 10.983 -11.053 11.003 1.00 11.44 H new ATOM 0 HZ1 LYS A 49 11.644 -13.065 12.150 1.00 12.43 H new ATOM 0 HZ2 LYS A 49 13.000 -12.329 11.441 1.00 12.43 H new ATOM 0 HZ3 LYS A 49 12.742 -12.199 13.114 1.00 12.43 H new ATOM 824 N GLN A 50 11.493 -5.176 12.806 1.00 21.35 N ATOM 825 CA GLN A 50 12.548 -4.143 12.752 1.00 11.31 C ATOM 826 C GLN A 50 11.990 -2.744 13.083 1.00 72.03 C ATOM 827 O GLN A 50 12.767 -1.805 13.259 1.00 74.23 O ATOM 828 CB GLN A 50 13.206 -4.144 11.344 1.00 15.42 C ATOM 829 CG GLN A 50 13.889 -5.479 10.958 1.00 43.44 C ATOM 830 CD GLN A 50 14.320 -5.549 9.490 1.00 52.14 C ATOM 831 OE1 GLN A 50 14.644 -4.538 8.870 1.00 2.11 O ATOM 832 NE2 GLN A 50 14.325 -6.747 8.919 1.00 20.21 N ATOM 0 H GLN A 50 10.977 -5.277 11.932 1.00 21.35 H new ATOM 0 HA GLN A 50 13.299 -4.382 13.505 1.00 11.31 H new ATOM 0 HB2 GLN A 50 12.444 -3.911 10.600 1.00 15.42 H new ATOM 0 HB3 GLN A 50 13.947 -3.345 11.302 1.00 15.42 H new ATOM 0 HG2 GLN A 50 14.764 -5.626 11.592 1.00 43.44 H new ATOM 0 HG3 GLN A 50 13.204 -6.301 11.166 1.00 43.44 H new ATOM 0 HE21 GLN A 50 14.052 -7.569 9.457 1.00 20.21 H new ATOM 0 HE22 GLN A 50 14.602 -6.845 7.942 1.00 20.21 H new ATOM 841 N GLY A 51 10.648 -2.616 13.178 1.00 71.25 N ATOM 842 CA GLY A 51 10.002 -1.316 13.411 1.00 4.24 C ATOM 843 C GLY A 51 10.062 -0.435 12.175 1.00 25.53 C ATOM 844 O GLY A 51 10.552 0.698 12.217 1.00 64.05 O ATOM 0 H GLY A 51 9.998 -3.397 13.096 1.00 71.25 H new ATOM 0 HA2 GLY A 51 8.962 -1.472 13.698 1.00 4.24 H new ATOM 0 HA3 GLY A 51 10.490 -0.810 14.244 1.00 4.24 H new ATOM 848 N ARG A 52 9.564 -0.988 11.066 1.00 71.01 N ATOM 849 CA ARG A 52 9.682 -0.425 9.713 1.00 1.04 C ATOM 850 C ARG A 52 8.327 -0.545 8.988 1.00 23.03 C ATOM 851 O ARG A 52 7.536 -1.444 9.302 1.00 63.14 O ATOM 852 CB ARG A 52 10.768 -1.200 8.893 1.00 30.10 C ATOM 853 CG ARG A 52 12.217 -1.116 9.437 1.00 44.32 C ATOM 854 CD ARG A 52 12.908 0.230 9.158 1.00 35.05 C ATOM 855 NE ARG A 52 12.216 1.387 9.768 1.00 75.33 N ATOM 856 CZ ARG A 52 12.096 2.597 9.201 1.00 40.32 C ATOM 857 NH1 ARG A 52 12.614 2.831 8.011 1.00 23.12 N ATOM 858 NH2 ARG A 52 11.432 3.565 9.815 1.00 10.12 N ATOM 0 H ARG A 52 9.050 -1.869 11.083 1.00 71.01 H new ATOM 0 HA ARG A 52 9.973 0.622 9.794 1.00 1.04 H new ATOM 0 HB2 ARG A 52 10.479 -2.250 8.846 1.00 30.10 H new ATOM 0 HB3 ARG A 52 10.762 -0.821 7.871 1.00 30.10 H new ATOM 0 HG2 ARG A 52 12.202 -1.290 10.513 1.00 44.32 H new ATOM 0 HG3 ARG A 52 12.809 -1.917 8.993 1.00 44.32 H new ATOM 0 HD2 ARG A 52 13.930 0.189 9.534 1.00 35.05 H new ATOM 0 HD3 ARG A 52 12.970 0.381 8.080 1.00 35.05 H new ATOM 0 HE ARG A 52 11.799 1.255 10.689 1.00 75.33 H new ATOM 0 HH11 ARG A 52 13.110 2.090 7.516 1.00 23.12 H new ATOM 0 HH12 ARG A 52 12.519 3.753 7.586 1.00 23.12 H new ATOM 0 HH21 ARG A 52 11.007 3.393 10.726 1.00 10.12 H new ATOM 0 HH22 ARG A 52 11.346 4.482 9.377 1.00 10.12 H new ATOM 872 N PRO A 53 8.022 0.370 8.027 1.00 62.25 N ATOM 873 CA PRO A 53 6.906 0.167 7.097 1.00 71.14 C ATOM 874 C PRO A 53 7.282 -0.754 5.917 1.00 54.13 C ATOM 875 O PRO A 53 8.466 -1.029 5.666 1.00 75.34 O ATOM 876 CB PRO A 53 6.560 1.595 6.621 1.00 12.43 C ATOM 877 CG PRO A 53 7.809 2.416 6.814 1.00 74.22 C ATOM 878 CD PRO A 53 8.691 1.687 7.822 1.00 11.51 C ATOM 0 HA PRO A 53 6.063 -0.336 7.571 1.00 71.14 H new ATOM 0 HB2 PRO A 53 6.253 1.593 5.575 1.00 12.43 H new ATOM 0 HB3 PRO A 53 5.731 2.007 7.196 1.00 12.43 H new ATOM 0 HG2 PRO A 53 8.334 2.542 5.867 1.00 74.22 H new ATOM 0 HG3 PRO A 53 7.559 3.414 7.175 1.00 74.22 H new ATOM 0 HD2 PRO A 53 9.705 1.561 7.443 1.00 11.51 H new ATOM 0 HD3 PRO A 53 8.767 2.243 8.757 1.00 11.51 H new ATOM 886 N ILE A 54 6.252 -1.223 5.211 1.00 30.23 N ATOM 887 CA ILE A 54 6.393 -1.959 3.956 1.00 73.12 C ATOM 888 C ILE A 54 5.313 -1.479 2.983 1.00 5.25 C ATOM 889 O ILE A 54 4.122 -1.535 3.290 1.00 72.45 O ATOM 890 CB ILE A 54 6.315 -3.527 4.148 1.00 23.11 C ATOM 891 CG1 ILE A 54 6.318 -4.253 2.762 1.00 64.14 C ATOM 892 CG2 ILE A 54 5.112 -3.942 5.018 1.00 1.32 C ATOM 893 CD1 ILE A 54 6.222 -5.764 2.824 1.00 25.43 C ATOM 0 H ILE A 54 5.282 -1.100 5.501 1.00 30.23 H new ATOM 0 HA ILE A 54 7.386 -1.756 3.554 1.00 73.12 H new ATOM 0 HB ILE A 54 7.207 -3.843 4.690 1.00 23.11 H new ATOM 0 HG12 ILE A 54 5.483 -3.876 2.171 1.00 64.14 H new ATOM 0 HG13 ILE A 54 7.232 -3.985 2.231 1.00 64.14 H new ATOM 0 HG21 ILE A 54 5.097 -5.027 5.124 1.00 1.32 H new ATOM 0 HG22 ILE A 54 5.199 -3.482 6.002 1.00 1.32 H new ATOM 0 HG23 ILE A 54 4.188 -3.611 4.543 1.00 1.32 H new ATOM 0 HD11 ILE A 54 6.232 -6.171 1.813 1.00 25.43 H new ATOM 0 HD12 ILE A 54 7.070 -6.160 3.383 1.00 25.43 H new ATOM 0 HD13 ILE A 54 5.295 -6.050 3.321 1.00 25.43 H new ATOM 905 N VAL A 55 5.734 -0.980 1.815 1.00 65.14 N ATOM 906 CA VAL A 55 4.823 -0.548 0.765 1.00 13.21 C ATOM 907 C VAL A 55 4.713 -1.669 -0.281 1.00 52.21 C ATOM 908 O VAL A 55 5.646 -1.907 -1.059 1.00 20.51 O ATOM 909 CB VAL A 55 5.300 0.797 0.104 1.00 61.11 C ATOM 910 CG1 VAL A 55 4.250 1.321 -0.898 1.00 14.33 C ATOM 911 CG2 VAL A 55 5.627 1.863 1.181 1.00 70.34 C ATOM 0 H VAL A 55 6.719 -0.867 1.577 1.00 65.14 H new ATOM 0 HA VAL A 55 3.842 -0.353 1.199 1.00 13.21 H new ATOM 0 HB VAL A 55 6.217 0.593 -0.449 1.00 61.11 H new ATOM 0 HG11 VAL A 55 4.603 2.252 -1.342 1.00 14.33 H new ATOM 0 HG12 VAL A 55 4.095 0.581 -1.683 1.00 14.33 H new ATOM 0 HG13 VAL A 55 3.309 1.501 -0.378 1.00 14.33 H new ATOM 0 HG21 VAL A 55 5.954 2.782 0.695 1.00 70.34 H new ATOM 0 HG22 VAL A 55 4.736 2.064 1.776 1.00 70.34 H new ATOM 0 HG23 VAL A 55 6.421 1.493 1.830 1.00 70.34 H new ATOM 921 N VAL A 56 3.573 -2.378 -0.262 1.00 12.33 N ATOM 922 CA VAL A 56 3.286 -3.481 -1.179 1.00 43.32 C ATOM 923 C VAL A 56 2.479 -2.957 -2.370 1.00 62.42 C ATOM 924 O VAL A 56 1.327 -2.530 -2.216 1.00 5.01 O ATOM 925 CB VAL A 56 2.482 -4.628 -0.471 1.00 32.42 C ATOM 926 CG1 VAL A 56 2.251 -5.833 -1.419 1.00 25.24 C ATOM 927 CG2 VAL A 56 3.180 -5.068 0.835 1.00 13.44 C ATOM 0 H VAL A 56 2.819 -2.195 0.400 1.00 12.33 H new ATOM 0 HA VAL A 56 4.237 -3.893 -1.517 1.00 43.32 H new ATOM 0 HB VAL A 56 1.502 -4.230 -0.210 1.00 32.42 H new ATOM 0 HG11 VAL A 56 1.691 -6.607 -0.894 1.00 25.24 H new ATOM 0 HG12 VAL A 56 1.686 -5.506 -2.292 1.00 25.24 H new ATOM 0 HG13 VAL A 56 3.213 -6.234 -1.738 1.00 25.24 H new ATOM 0 HG21 VAL A 56 2.603 -5.864 1.306 1.00 13.44 H new ATOM 0 HG22 VAL A 56 4.182 -5.433 0.607 1.00 13.44 H new ATOM 0 HG23 VAL A 56 3.249 -4.219 1.515 1.00 13.44 H new ATOM 937 N PHE A 57 3.106 -2.976 -3.542 1.00 24.15 N ATOM 938 CA PHE A 57 2.487 -2.563 -4.789 1.00 33.10 C ATOM 939 C PHE A 57 1.647 -3.716 -5.337 1.00 41.54 C ATOM 940 O PHE A 57 2.176 -4.732 -5.791 1.00 25.13 O ATOM 941 CB PHE A 57 3.588 -2.128 -5.785 1.00 14.01 C ATOM 942 CG PHE A 57 4.479 -1.050 -5.190 1.00 20.13 C ATOM 943 CD1 PHE A 57 4.006 0.253 -5.046 1.00 35.02 C ATOM 944 CD2 PHE A 57 5.766 -1.346 -4.731 1.00 11.40 C ATOM 945 CE1 PHE A 57 4.782 1.220 -4.455 1.00 11.44 C ATOM 946 CE2 PHE A 57 6.541 -0.372 -4.149 1.00 75.21 C ATOM 947 CZ PHE A 57 6.050 0.910 -4.013 1.00 24.32 C ATOM 0 H PHE A 57 4.072 -3.284 -3.650 1.00 24.15 H new ATOM 0 HA PHE A 57 1.826 -1.712 -4.628 1.00 33.10 H new ATOM 0 HB2 PHE A 57 4.193 -2.992 -6.060 1.00 14.01 H new ATOM 0 HB3 PHE A 57 3.127 -1.757 -6.700 1.00 14.01 H new ATOM 0 HD1 PHE A 57 3.018 0.505 -5.403 1.00 35.02 H new ATOM 0 HD2 PHE A 57 6.154 -2.348 -4.835 1.00 11.40 H new ATOM 0 HE1 PHE A 57 4.399 2.223 -4.337 1.00 11.44 H new ATOM 0 HE2 PHE A 57 7.534 -0.610 -3.798 1.00 75.21 H new ATOM 0 HZ PHE A 57 6.662 1.674 -3.558 1.00 24.32 H new ATOM 957 N VAL A 58 0.336 -3.544 -5.219 1.00 13.51 N ATOM 958 CA VAL A 58 -0.685 -4.446 -5.742 1.00 23.13 C ATOM 959 C VAL A 58 -1.223 -3.817 -7.035 1.00 20.24 C ATOM 960 O VAL A 58 -1.188 -2.601 -7.187 1.00 63.40 O ATOM 961 CB VAL A 58 -1.817 -4.639 -4.661 1.00 1.34 C ATOM 962 CG1 VAL A 58 -2.996 -5.483 -5.182 1.00 41.24 C ATOM 963 CG2 VAL A 58 -1.227 -5.263 -3.369 1.00 45.55 C ATOM 0 H VAL A 58 -0.062 -2.739 -4.736 1.00 13.51 H new ATOM 0 HA VAL A 58 -0.283 -5.435 -5.962 1.00 23.13 H new ATOM 0 HB VAL A 58 -2.215 -3.650 -4.433 1.00 1.34 H new ATOM 0 HG11 VAL A 58 -3.746 -5.584 -4.397 1.00 41.24 H new ATOM 0 HG12 VAL A 58 -3.441 -4.992 -6.048 1.00 41.24 H new ATOM 0 HG13 VAL A 58 -2.637 -6.471 -5.470 1.00 41.24 H new ATOM 0 HG21 VAL A 58 -2.020 -5.390 -2.632 1.00 45.55 H new ATOM 0 HG22 VAL A 58 -0.788 -6.233 -3.601 1.00 45.55 H new ATOM 0 HG23 VAL A 58 -0.458 -4.604 -2.965 1.00 45.55 H new ATOM 973 N ARG A 59 -1.655 -4.637 -7.994 1.00 2.30 N ATOM 974 CA ARG A 59 -2.120 -4.142 -9.302 1.00 23.35 C ATOM 975 C ARG A 59 -3.653 -3.997 -9.281 1.00 4.04 C ATOM 976 O ARG A 59 -4.328 -4.622 -8.445 1.00 15.24 O ATOM 977 CB ARG A 59 -1.644 -5.112 -10.420 1.00 14.34 C ATOM 978 CG ARG A 59 -1.569 -4.500 -11.832 1.00 20.03 C ATOM 979 CD ARG A 59 -0.970 -5.481 -12.858 1.00 32.44 C ATOM 980 NE ARG A 59 -0.588 -4.809 -14.116 1.00 10.23 N ATOM 981 CZ ARG A 59 0.574 -4.993 -14.778 1.00 33.51 C ATOM 982 NH1 ARG A 59 1.502 -5.836 -14.312 1.00 24.24 N ATOM 983 NH2 ARG A 59 0.799 -4.337 -15.909 1.00 64.23 N ATOM 0 H ARG A 59 -1.695 -5.651 -7.894 1.00 2.30 H new ATOM 0 HA ARG A 59 -1.696 -3.159 -9.509 1.00 23.35 H new ATOM 0 HB2 ARG A 59 -0.658 -5.492 -10.153 1.00 14.34 H new ATOM 0 HB3 ARG A 59 -2.319 -5.968 -10.448 1.00 14.34 H new ATOM 0 HG2 ARG A 59 -2.568 -4.206 -12.153 1.00 20.03 H new ATOM 0 HG3 ARG A 59 -0.964 -3.594 -11.802 1.00 20.03 H new ATOM 0 HD2 ARG A 59 -0.094 -5.965 -12.426 1.00 32.44 H new ATOM 0 HD3 ARG A 59 -1.695 -6.266 -13.073 1.00 32.44 H new ATOM 0 HE ARG A 59 -1.257 -4.152 -14.518 1.00 10.23 H new ATOM 0 HH11 ARG A 59 1.336 -6.349 -13.446 1.00 24.24 H new ATOM 0 HH12 ARG A 59 2.376 -5.966 -14.822 1.00 24.24 H new ATOM 0 HH21 ARG A 59 0.095 -3.696 -16.276 1.00 64.23 H new ATOM 0 HH22 ARG A 59 1.676 -4.473 -16.412 1.00 64.23 H new ATOM 997 N GLY A 60 -4.184 -3.153 -10.187 1.00 34.53 N ATOM 998 CA GLY A 60 -5.626 -2.977 -10.356 1.00 64.32 C ATOM 999 C GLY A 60 -6.272 -4.228 -10.950 1.00 34.04 C ATOM 1000 O GLY A 60 -6.505 -4.307 -12.158 1.00 1.34 O ATOM 0 H GLY A 60 -3.622 -2.580 -10.816 1.00 34.53 H new ATOM 0 HA2 GLY A 60 -6.083 -2.752 -9.392 1.00 64.32 H new ATOM 0 HA3 GLY A 60 -5.817 -2.123 -11.006 1.00 64.32 H new ATOM 1004 N GLY A 61 -6.528 -5.212 -10.082 1.00 72.13 N ATOM 1005 CA GLY A 61 -7.022 -6.530 -10.485 1.00 61.33 C ATOM 1006 C GLY A 61 -6.796 -7.565 -9.389 1.00 0.11 C ATOM 1007 O GLY A 61 -7.530 -8.547 -9.302 1.00 34.25 O ATOM 0 H GLY A 61 -6.397 -5.115 -9.075 1.00 72.13 H new ATOM 0 HA2 GLY A 61 -8.086 -6.467 -10.715 1.00 61.33 H new ATOM 0 HA3 GLY A 61 -6.517 -6.847 -11.397 1.00 61.33 H new ATOM 1011 N ASP A 62 -5.770 -7.335 -8.543 1.00 14.53 N ATOM 1012 CA ASP A 62 -5.466 -8.197 -7.377 1.00 33.22 C ATOM 1013 C ASP A 62 -6.132 -7.619 -6.118 1.00 52.02 C ATOM 1014 O ASP A 62 -5.540 -7.608 -5.033 1.00 1.03 O ATOM 1015 CB ASP A 62 -3.925 -8.303 -7.183 1.00 24.13 C ATOM 1016 CG ASP A 62 -3.184 -8.824 -8.419 1.00 3.33 C ATOM 1017 OD1 ASP A 62 -3.318 -10.022 -8.735 1.00 34.45 O ATOM 1018 OD2 ASP A 62 -2.476 -8.036 -9.079 1.00 64.44 O ATOM 0 H ASP A 62 -5.129 -6.548 -8.647 1.00 14.53 H new ATOM 0 HA ASP A 62 -5.861 -9.197 -7.553 1.00 33.22 H new ATOM 0 HB2 ASP A 62 -3.532 -7.320 -6.922 1.00 24.13 H new ATOM 0 HB3 ASP A 62 -3.718 -8.963 -6.341 1.00 24.13 H new ATOM 1023 N ASP A 63 -7.386 -7.175 -6.268 1.00 45.50 N ATOM 1024 CA ASP A 63 -8.151 -6.496 -5.202 1.00 65.11 C ATOM 1025 C ASP A 63 -8.408 -7.434 -3.998 1.00 0.11 C ATOM 1026 O ASP A 63 -8.514 -6.977 -2.849 1.00 22.13 O ATOM 1027 CB ASP A 63 -9.474 -5.967 -5.792 1.00 35.52 C ATOM 1028 CG ASP A 63 -10.317 -5.172 -4.790 1.00 4.44 C ATOM 1029 OD1 ASP A 63 -10.013 -3.980 -4.555 1.00 54.24 O ATOM 1030 OD2 ASP A 63 -11.286 -5.733 -4.224 1.00 34.53 O ATOM 0 H ASP A 63 -7.907 -7.275 -7.139 1.00 45.50 H new ATOM 0 HA ASP A 63 -7.564 -5.659 -4.824 1.00 65.11 H new ATOM 0 HB2 ASP A 63 -9.252 -5.333 -6.651 1.00 35.52 H new ATOM 0 HB3 ASP A 63 -10.060 -6.809 -6.160 1.00 35.52 H new ATOM 1035 N GLU A 64 -8.492 -8.750 -4.283 1.00 13.51 N ATOM 1036 CA GLU A 64 -8.582 -9.786 -3.243 1.00 31.24 C ATOM 1037 C GLU A 64 -7.259 -9.886 -2.466 1.00 73.43 C ATOM 1038 O GLU A 64 -7.267 -9.972 -1.250 1.00 11.14 O ATOM 1039 CB GLU A 64 -8.949 -11.153 -3.851 1.00 12.21 C ATOM 1040 CG GLU A 64 -10.360 -11.225 -4.456 1.00 31.31 C ATOM 1041 CD GLU A 64 -10.627 -12.569 -5.146 1.00 21.12 C ATOM 1042 OE1 GLU A 64 -10.137 -12.768 -6.276 1.00 41.54 O ATOM 1043 OE2 GLU A 64 -11.300 -13.436 -4.556 1.00 41.03 O ATOM 0 H GLU A 64 -8.499 -9.118 -5.234 1.00 13.51 H new ATOM 0 HA GLU A 64 -9.374 -9.499 -2.552 1.00 31.24 H new ATOM 0 HB2 GLU A 64 -8.223 -11.398 -4.626 1.00 12.21 H new ATOM 0 HB3 GLU A 64 -8.860 -11.916 -3.078 1.00 12.21 H new ATOM 0 HG2 GLU A 64 -11.099 -11.069 -3.670 1.00 31.31 H new ATOM 0 HG3 GLU A 64 -10.486 -10.417 -5.177 1.00 31.31 H new ATOM 1050 N ARG A 65 -6.118 -9.855 -3.189 1.00 2.40 N ATOM 1051 CA ARG A 65 -4.772 -9.846 -2.558 1.00 5.34 C ATOM 1052 C ARG A 65 -4.618 -8.625 -1.647 1.00 12.11 C ATOM 1053 O ARG A 65 -4.054 -8.731 -0.569 1.00 14.55 O ATOM 1054 CB ARG A 65 -3.631 -9.894 -3.625 1.00 22.53 C ATOM 1055 CG ARG A 65 -3.241 -11.303 -4.148 1.00 22.21 C ATOM 1056 CD ARG A 65 -4.394 -12.090 -4.811 1.00 44.35 C ATOM 1057 NE ARG A 65 -5.361 -12.651 -3.834 1.00 23.35 N ATOM 1058 CZ ARG A 65 -6.289 -13.591 -4.099 1.00 44.31 C ATOM 1059 NH1 ARG A 65 -6.401 -14.128 -5.313 1.00 41.52 N ATOM 1060 NH2 ARG A 65 -7.135 -13.953 -3.151 1.00 61.11 N ATOM 0 H ARG A 65 -6.098 -9.836 -4.209 1.00 2.40 H new ATOM 0 HA ARG A 65 -4.683 -10.747 -1.951 1.00 5.34 H new ATOM 0 HB2 ARG A 65 -3.932 -9.284 -4.476 1.00 22.53 H new ATOM 0 HB3 ARG A 65 -2.743 -9.429 -3.198 1.00 22.53 H new ATOM 0 HG2 ARG A 65 -2.431 -11.196 -4.869 1.00 22.21 H new ATOM 0 HG3 ARG A 65 -2.851 -11.889 -3.316 1.00 22.21 H new ATOM 0 HD2 ARG A 65 -4.924 -11.432 -5.500 1.00 44.35 H new ATOM 0 HD3 ARG A 65 -3.975 -12.903 -5.405 1.00 44.35 H new ATOM 0 HE ARG A 65 -5.319 -12.294 -2.880 1.00 23.35 H new ATOM 0 HH11 ARG A 65 -5.777 -13.829 -6.063 1.00 41.52 H new ATOM 0 HH12 ARG A 65 -7.110 -14.838 -5.493 1.00 41.52 H new ATOM 0 HH21 ARG A 65 -7.082 -13.522 -2.228 1.00 61.11 H new ATOM 0 HH22 ARG A 65 -7.841 -14.664 -3.342 1.00 61.11 H new ATOM 1074 N ALA A 66 -5.180 -7.490 -2.088 1.00 63.13 N ATOM 1075 CA ALA A 66 -5.182 -6.244 -1.315 1.00 24.13 C ATOM 1076 C ALA A 66 -5.850 -6.442 0.058 1.00 32.53 C ATOM 1077 O ALA A 66 -5.251 -6.134 1.079 1.00 23.13 O ATOM 1078 CB ALA A 66 -5.886 -5.139 -2.103 1.00 42.32 C ATOM 0 H ALA A 66 -5.646 -7.412 -2.992 1.00 63.13 H new ATOM 0 HA ALA A 66 -4.148 -5.948 -1.140 1.00 24.13 H new ATOM 0 HB1 ALA A 66 -5.882 -4.218 -1.520 1.00 42.32 H new ATOM 0 HB2 ALA A 66 -5.363 -4.975 -3.045 1.00 42.32 H new ATOM 0 HB3 ALA A 66 -6.915 -5.436 -2.306 1.00 42.32 H new ATOM 1084 N LYS A 67 -7.073 -7.022 0.064 1.00 24.15 N ATOM 1085 CA LYS A 67 -7.855 -7.208 1.307 1.00 74.42 C ATOM 1086 C LYS A 67 -7.281 -8.340 2.191 1.00 30.23 C ATOM 1087 O LYS A 67 -7.398 -8.276 3.410 1.00 13.30 O ATOM 1088 CB LYS A 67 -9.359 -7.482 1.003 1.00 74.05 C ATOM 1089 CG LYS A 67 -9.643 -8.840 0.327 1.00 15.40 C ATOM 1090 CD LYS A 67 -11.136 -9.203 0.287 1.00 63.02 C ATOM 1091 CE LYS A 67 -11.388 -10.571 -0.368 1.00 44.31 C ATOM 1092 NZ LYS A 67 -10.701 -11.686 0.344 1.00 64.05 N ATOM 0 H LYS A 67 -7.538 -7.368 -0.776 1.00 24.15 H new ATOM 0 HA LYS A 67 -7.777 -6.273 1.861 1.00 74.42 H new ATOM 0 HB2 LYS A 67 -9.919 -7.432 1.937 1.00 74.05 H new ATOM 0 HB3 LYS A 67 -9.737 -6.686 0.361 1.00 74.05 H new ATOM 0 HG2 LYS A 67 -9.255 -8.819 -0.691 1.00 15.40 H new ATOM 0 HG3 LYS A 67 -9.101 -9.622 0.858 1.00 15.40 H new ATOM 0 HD2 LYS A 67 -11.533 -9.210 1.302 1.00 63.02 H new ATOM 0 HD3 LYS A 67 -11.680 -8.434 -0.262 1.00 63.02 H new ATOM 0 HE2 LYS A 67 -12.460 -10.766 -0.391 1.00 44.31 H new ATOM 0 HE3 LYS A 67 -11.047 -10.542 -1.403 1.00 44.31 H new ATOM 0 HZ1 LYS A 67 -10.985 -12.594 -0.077 1.00 64.05 H new ATOM 0 HZ2 LYS A 67 -9.671 -11.571 0.257 1.00 64.05 H new ATOM 0 HZ3 LYS A 67 -10.967 -11.672 1.349 1.00 64.05 H new ATOM 1106 N ASP A 68 -6.674 -9.373 1.564 1.00 33.22 N ATOM 1107 CA ASP A 68 -6.134 -10.547 2.293 1.00 71.10 C ATOM 1108 C ASP A 68 -4.834 -10.189 3.022 1.00 31.54 C ATOM 1109 O ASP A 68 -4.621 -10.593 4.169 1.00 32.01 O ATOM 1110 CB ASP A 68 -5.897 -11.756 1.341 1.00 24.32 C ATOM 1111 CG ASP A 68 -7.193 -12.348 0.746 1.00 25.00 C ATOM 1112 OD1 ASP A 68 -8.206 -12.459 1.477 1.00 53.43 O ATOM 1113 OD2 ASP A 68 -7.200 -12.732 -0.448 1.00 14.42 O ATOM 0 H ASP A 68 -6.545 -9.419 0.553 1.00 33.22 H new ATOM 0 HA ASP A 68 -6.882 -10.839 3.030 1.00 71.10 H new ATOM 0 HB2 ASP A 68 -5.245 -11.442 0.526 1.00 24.32 H new ATOM 0 HB3 ASP A 68 -5.370 -12.538 1.887 1.00 24.32 H new ATOM 1118 N ILE A 69 -3.970 -9.422 2.341 1.00 1.01 N ATOM 1119 CA ILE A 69 -2.711 -8.921 2.913 1.00 61.20 C ATOM 1120 C ILE A 69 -3.020 -7.817 3.956 1.00 65.50 C ATOM 1121 O ILE A 69 -2.312 -7.682 4.955 1.00 42.33 O ATOM 1122 CB ILE A 69 -1.745 -8.393 1.782 1.00 52.30 C ATOM 1123 CG1 ILE A 69 -1.407 -9.536 0.765 1.00 23.40 C ATOM 1124 CG2 ILE A 69 -0.454 -7.792 2.372 1.00 43.32 C ATOM 1125 CD1 ILE A 69 -0.650 -9.085 -0.481 1.00 71.13 C ATOM 0 H ILE A 69 -4.125 -9.131 1.376 1.00 1.01 H new ATOM 0 HA ILE A 69 -2.197 -9.740 3.415 1.00 61.20 H new ATOM 0 HB ILE A 69 -2.266 -7.597 1.250 1.00 52.30 H new ATOM 0 HG12 ILE A 69 -0.815 -10.295 1.277 1.00 23.40 H new ATOM 0 HG13 ILE A 69 -2.337 -10.013 0.455 1.00 23.40 H new ATOM 0 HG21 ILE A 69 0.186 -7.439 1.563 1.00 43.32 H new ATOM 0 HG22 ILE A 69 -0.707 -6.957 3.025 1.00 43.32 H new ATOM 0 HG23 ILE A 69 0.073 -8.554 2.946 1.00 43.32 H new ATOM 0 HD11 ILE A 69 -0.462 -9.945 -1.124 1.00 71.13 H new ATOM 0 HD12 ILE A 69 -1.246 -8.351 -1.023 1.00 71.13 H new ATOM 0 HD13 ILE A 69 0.299 -8.637 -0.188 1.00 71.13 H new ATOM 1137 N ALA A 70 -4.110 -7.052 3.706 1.00 21.22 N ATOM 1138 CA ALA A 70 -4.643 -6.052 4.654 1.00 75.40 C ATOM 1139 C ALA A 70 -5.162 -6.723 5.929 1.00 72.50 C ATOM 1140 O ALA A 70 -4.973 -6.205 7.033 1.00 24.52 O ATOM 1141 CB ALA A 70 -5.765 -5.240 3.996 1.00 64.03 C ATOM 0 H ALA A 70 -4.643 -7.114 2.839 1.00 21.22 H new ATOM 0 HA ALA A 70 -3.829 -5.381 4.927 1.00 75.40 H new ATOM 0 HB1 ALA A 70 -6.148 -4.507 4.706 1.00 64.03 H new ATOM 0 HB2 ALA A 70 -5.375 -4.725 3.118 1.00 64.03 H new ATOM 0 HB3 ALA A 70 -6.571 -5.910 3.695 1.00 64.03 H new ATOM 1147 N GLU A 71 -5.818 -7.883 5.741 1.00 72.35 N ATOM 1148 CA GLU A 71 -6.361 -8.690 6.837 1.00 31.13 C ATOM 1149 C GLU A 71 -5.216 -9.218 7.699 1.00 44.52 C ATOM 1150 O GLU A 71 -5.298 -9.174 8.922 1.00 43.22 O ATOM 1151 CB GLU A 71 -7.187 -9.872 6.270 1.00 24.14 C ATOM 1152 CG GLU A 71 -7.872 -10.745 7.343 1.00 0.12 C ATOM 1153 CD GLU A 71 -8.430 -12.066 6.796 1.00 24.34 C ATOM 1154 OE1 GLU A 71 -9.347 -12.032 5.957 1.00 51.01 O ATOM 1155 OE2 GLU A 71 -7.960 -13.149 7.210 1.00 63.11 O ATOM 0 H GLU A 71 -5.984 -8.284 4.818 1.00 72.35 H new ATOM 0 HA GLU A 71 -7.015 -8.069 7.449 1.00 31.13 H new ATOM 0 HB2 GLU A 71 -7.950 -9.477 5.599 1.00 24.14 H new ATOM 0 HB3 GLU A 71 -6.531 -10.503 5.670 1.00 24.14 H new ATOM 0 HG2 GLU A 71 -7.155 -10.963 8.134 1.00 0.12 H new ATOM 0 HG3 GLU A 71 -8.684 -10.177 7.797 1.00 0.12 H new ATOM 1162 N TYR A 72 -4.146 -9.694 7.025 1.00 52.35 N ATOM 1163 CA TYR A 72 -2.931 -10.197 7.682 1.00 64.23 C ATOM 1164 C TYR A 72 -2.237 -9.077 8.473 1.00 1.50 C ATOM 1165 O TYR A 72 -1.836 -9.280 9.613 1.00 1.24 O ATOM 1166 CB TYR A 72 -1.943 -10.808 6.651 1.00 53.51 C ATOM 1167 CG TYR A 72 -0.605 -11.250 7.279 1.00 74.31 C ATOM 1168 CD1 TYR A 72 -0.554 -12.307 8.194 1.00 22.02 C ATOM 1169 CD2 TYR A 72 0.595 -10.587 6.992 1.00 11.34 C ATOM 1170 CE1 TYR A 72 0.631 -12.679 8.793 1.00 40.22 C ATOM 1171 CE2 TYR A 72 1.785 -10.966 7.587 1.00 32.41 C ATOM 1172 CZ TYR A 72 1.797 -12.011 8.485 1.00 43.40 C ATOM 1173 OH TYR A 72 2.981 -12.381 9.094 1.00 22.00 O ATOM 0 H TYR A 72 -4.106 -9.738 6.007 1.00 52.35 H new ATOM 0 HA TYR A 72 -3.234 -10.983 8.374 1.00 64.23 H new ATOM 0 HB2 TYR A 72 -2.413 -11.667 6.172 1.00 53.51 H new ATOM 0 HB3 TYR A 72 -1.745 -10.075 5.869 1.00 53.51 H new ATOM 0 HD1 TYR A 72 -1.460 -12.842 8.436 1.00 22.02 H new ATOM 0 HD2 TYR A 72 0.591 -9.764 6.293 1.00 11.34 H new ATOM 0 HE1 TYR A 72 0.646 -13.493 9.503 1.00 40.22 H new ATOM 0 HE2 TYR A 72 2.701 -10.445 7.349 1.00 32.41 H new ATOM 0 HH TYR A 72 3.108 -11.854 9.910 1.00 22.00 H new ATOM 1183 N ALA A 73 -2.120 -7.904 7.843 1.00 50.01 N ATOM 1184 CA ALA A 73 -1.454 -6.736 8.426 1.00 20.35 C ATOM 1185 C ALA A 73 -2.165 -6.285 9.717 1.00 34.22 C ATOM 1186 O ALA A 73 -1.523 -6.054 10.742 1.00 35.45 O ATOM 1187 CB ALA A 73 -1.419 -5.610 7.395 1.00 30.12 C ATOM 0 H ALA A 73 -2.488 -7.737 6.906 1.00 50.01 H new ATOM 0 HA ALA A 73 -0.432 -7.003 8.695 1.00 20.35 H new ATOM 0 HB1 ALA A 73 -0.924 -4.739 7.824 1.00 30.12 H new ATOM 0 HB2 ALA A 73 -0.870 -5.941 6.513 1.00 30.12 H new ATOM 0 HB3 ALA A 73 -2.437 -5.345 7.110 1.00 30.12 H new ATOM 1193 N GLN A 74 -3.506 -6.223 9.650 1.00 73.02 N ATOM 1194 CA GLN A 74 -4.362 -5.862 10.794 1.00 33.02 C ATOM 1195 C GLN A 74 -4.323 -6.965 11.873 1.00 73.45 C ATOM 1196 O GLN A 74 -4.404 -6.678 13.070 1.00 3.20 O ATOM 1197 CB GLN A 74 -5.814 -5.624 10.306 1.00 31.03 C ATOM 1198 CG GLN A 74 -6.764 -5.069 11.382 1.00 54.03 C ATOM 1199 CD GLN A 74 -8.182 -4.839 10.875 1.00 13.34 C ATOM 1200 OE1 GLN A 74 -9.042 -5.713 10.974 1.00 45.13 O ATOM 1201 NE2 GLN A 74 -8.425 -3.679 10.294 1.00 50.10 N ATOM 0 H GLN A 74 -4.029 -6.423 8.797 1.00 73.02 H new ATOM 0 HA GLN A 74 -3.985 -4.942 11.241 1.00 33.02 H new ATOM 0 HB2 GLN A 74 -5.793 -4.931 9.465 1.00 31.03 H new ATOM 0 HB3 GLN A 74 -6.218 -6.565 9.933 1.00 31.03 H new ATOM 0 HG2 GLN A 74 -6.794 -5.763 12.222 1.00 54.03 H new ATOM 0 HG3 GLN A 74 -6.364 -4.128 11.760 1.00 54.03 H new ATOM 0 HE21 GLN A 74 -7.688 -2.977 10.229 1.00 50.10 H new ATOM 0 HE22 GLN A 74 -9.350 -3.485 9.910 1.00 50.10 H new ATOM 1210 N LYS A 75 -4.170 -8.218 11.411 1.00 43.34 N ATOM 1211 CA LYS A 75 -4.088 -9.428 12.262 1.00 50.12 C ATOM 1212 C LYS A 75 -2.806 -9.409 13.124 1.00 55.24 C ATOM 1213 O LYS A 75 -2.799 -9.882 14.265 1.00 34.11 O ATOM 1214 CB LYS A 75 -4.102 -10.669 11.346 1.00 72.35 C ATOM 1215 CG LYS A 75 -4.494 -12.009 12.000 1.00 63.20 C ATOM 1216 CD LYS A 75 -4.380 -13.182 10.999 1.00 74.44 C ATOM 1217 CE LYS A 75 -5.099 -12.908 9.662 1.00 44.13 C ATOM 1218 NZ LYS A 75 -6.574 -12.809 9.805 1.00 25.12 N ATOM 0 H LYS A 75 -4.098 -8.427 10.415 1.00 43.34 H new ATOM 0 HA LYS A 75 -4.940 -9.455 12.941 1.00 50.12 H new ATOM 0 HB2 LYS A 75 -4.792 -10.477 10.524 1.00 72.35 H new ATOM 0 HB3 LYS A 75 -3.109 -10.781 10.910 1.00 72.35 H new ATOM 0 HG2 LYS A 75 -3.850 -12.198 12.859 1.00 63.20 H new ATOM 0 HG3 LYS A 75 -5.516 -11.947 12.375 1.00 63.20 H new ATOM 0 HD2 LYS A 75 -3.327 -13.384 10.804 1.00 74.44 H new ATOM 0 HD3 LYS A 75 -4.798 -14.081 11.452 1.00 74.44 H new ATOM 0 HE2 LYS A 75 -4.718 -11.980 9.235 1.00 44.13 H new ATOM 0 HE3 LYS A 75 -4.861 -13.705 8.958 1.00 44.13 H new ATOM 0 HZ1 LYS A 75 -7.024 -12.964 8.880 1.00 25.12 H new ATOM 0 HZ2 LYS A 75 -6.907 -13.530 10.477 1.00 25.12 H new ATOM 0 HZ3 LYS A 75 -6.826 -11.864 10.158 1.00 25.12 H new ATOM 1232 N GLU A 76 -1.729 -8.843 12.544 1.00 4.31 N ATOM 1233 CA GLU A 76 -0.432 -8.641 13.223 1.00 2.03 C ATOM 1234 C GLU A 76 -0.502 -7.474 14.232 1.00 72.24 C ATOM 1235 O GLU A 76 0.401 -7.308 15.059 1.00 12.22 O ATOM 1236 CB GLU A 76 0.661 -8.339 12.162 1.00 14.23 C ATOM 1237 CG GLU A 76 0.906 -9.446 11.123 1.00 32.14 C ATOM 1238 CD GLU A 76 1.606 -10.678 11.701 1.00 13.43 C ATOM 1239 OE1 GLU A 76 0.925 -11.572 12.243 1.00 64.34 O ATOM 1240 OE2 GLU A 76 2.855 -10.749 11.635 1.00 44.24 O ATOM 0 H GLU A 76 -1.735 -8.509 11.580 1.00 4.31 H new ATOM 0 HA GLU A 76 -0.187 -9.551 13.770 1.00 2.03 H new ATOM 0 HB2 GLU A 76 0.387 -7.425 11.635 1.00 14.23 H new ATOM 0 HB3 GLU A 76 1.599 -8.139 12.680 1.00 14.23 H new ATOM 0 HG2 GLU A 76 -0.049 -9.748 10.693 1.00 32.14 H new ATOM 0 HG3 GLU A 76 1.509 -9.043 10.309 1.00 32.14 H new ATOM 1247 N GLY A 77 -1.574 -6.667 14.141 1.00 32.04 N ATOM 1248 CA GLY A 77 -1.720 -5.459 14.947 1.00 70.43 C ATOM 1249 C GLY A 77 -0.953 -4.291 14.352 1.00 64.23 C ATOM 1250 O GLY A 77 -0.421 -3.451 15.083 1.00 64.24 O ATOM 0 H GLY A 77 -2.355 -6.839 13.508 1.00 32.04 H new ATOM 0 HA2 GLY A 77 -2.776 -5.199 15.025 1.00 70.43 H new ATOM 0 HA3 GLY A 77 -1.363 -5.651 15.959 1.00 70.43 H new ATOM 1254 N LEU A 78 -0.871 -4.258 13.009 1.00 0.40 N ATOM 1255 CA LEU A 78 -0.161 -3.200 12.261 1.00 23.25 C ATOM 1256 C LEU A 78 -1.173 -2.272 11.582 1.00 33.23 C ATOM 1257 O LEU A 78 -2.283 -2.700 11.229 1.00 1.24 O ATOM 1258 CB LEU A 78 0.789 -3.816 11.188 1.00 63.21 C ATOM 1259 CG LEU A 78 1.748 -4.942 11.678 1.00 25.41 C ATOM 1260 CD1 LEU A 78 2.727 -5.374 10.569 1.00 31.01 C ATOM 1261 CD2 LEU A 78 2.491 -4.550 12.969 1.00 70.05 C ATOM 0 H LEU A 78 -1.296 -4.965 12.409 1.00 0.40 H new ATOM 0 HA LEU A 78 0.441 -2.629 12.968 1.00 23.25 H new ATOM 0 HB2 LEU A 78 0.177 -4.216 10.379 1.00 63.21 H new ATOM 0 HB3 LEU A 78 1.393 -3.013 10.764 1.00 63.21 H new ATOM 0 HG LEU A 78 1.127 -5.804 11.920 1.00 25.41 H new ATOM 0 HD11 LEU A 78 3.380 -6.161 10.947 1.00 31.01 H new ATOM 0 HD12 LEU A 78 2.165 -5.749 9.713 1.00 31.01 H new ATOM 0 HD13 LEU A 78 3.329 -4.519 10.262 1.00 31.01 H new ATOM 0 HD21 LEU A 78 3.148 -5.365 13.273 1.00 70.05 H new ATOM 0 HD22 LEU A 78 3.085 -3.654 12.789 1.00 70.05 H new ATOM 0 HD23 LEU A 78 1.767 -4.353 13.760 1.00 70.05 H new ATOM 1273 N ARG A 79 -0.778 -1.003 11.407 1.00 73.53 N ATOM 1274 CA ARG A 79 -1.593 0.007 10.712 1.00 44.41 C ATOM 1275 C ARG A 79 -1.616 -0.308 9.214 1.00 22.32 C ATOM 1276 O ARG A 79 -0.562 -0.510 8.603 1.00 5.15 O ATOM 1277 CB ARG A 79 -1.047 1.441 10.991 1.00 23.34 C ATOM 1278 CG ARG A 79 -1.467 2.104 12.335 1.00 60.42 C ATOM 1279 CD ARG A 79 -1.246 1.234 13.600 1.00 71.21 C ATOM 1280 NE ARG A 79 -2.303 0.206 13.767 1.00 43.02 N ATOM 1281 CZ ARG A 79 -3.431 0.360 14.486 1.00 21.34 C ATOM 1282 NH1 ARG A 79 -3.682 1.490 15.148 1.00 72.52 N ATOM 1283 NH2 ARG A 79 -4.315 -0.622 14.527 1.00 21.41 N ATOM 0 H ARG A 79 0.116 -0.646 11.743 1.00 73.53 H new ATOM 0 HA ARG A 79 -2.615 -0.025 11.089 1.00 44.41 H new ATOM 0 HB2 ARG A 79 0.042 1.402 10.957 1.00 23.34 H new ATOM 0 HB3 ARG A 79 -1.368 2.091 10.177 1.00 23.34 H new ATOM 0 HG2 ARG A 79 -0.911 3.034 12.452 1.00 60.42 H new ATOM 0 HG3 ARG A 79 -2.523 2.369 12.276 1.00 60.42 H new ATOM 0 HD2 ARG A 79 -0.274 0.745 13.537 1.00 71.21 H new ATOM 0 HD3 ARG A 79 -1.224 1.876 14.481 1.00 71.21 H new ATOM 0 HE ARG A 79 -2.164 -0.690 13.299 1.00 43.02 H new ATOM 0 HH11 ARG A 79 -3.013 2.259 15.116 1.00 72.52 H new ATOM 0 HH12 ARG A 79 -4.543 1.585 15.687 1.00 72.52 H new ATOM 0 HH21 ARG A 79 -4.140 -1.488 14.017 1.00 21.41 H new ATOM 0 HH22 ARG A 79 -5.172 -0.514 15.069 1.00 21.41 H new ATOM 1297 N VAL A 80 -2.822 -0.407 8.640 1.00 4.32 N ATOM 1298 CA VAL A 80 -3.009 -0.752 7.226 1.00 23.14 C ATOM 1299 C VAL A 80 -3.476 0.483 6.460 1.00 75.41 C ATOM 1300 O VAL A 80 -4.557 1.008 6.735 1.00 42.41 O ATOM 1301 CB VAL A 80 -4.061 -1.898 7.036 1.00 20.53 C ATOM 1302 CG1 VAL A 80 -4.062 -2.403 5.574 1.00 12.42 C ATOM 1303 CG2 VAL A 80 -3.837 -3.049 8.038 1.00 34.21 C ATOM 0 H VAL A 80 -3.695 -0.250 9.143 1.00 4.32 H new ATOM 0 HA VAL A 80 -2.052 -1.105 6.842 1.00 23.14 H new ATOM 0 HB VAL A 80 -5.047 -1.485 7.247 1.00 20.53 H new ATOM 0 HG11 VAL A 80 -4.799 -3.198 5.464 1.00 12.42 H new ATOM 0 HG12 VAL A 80 -4.314 -1.580 4.905 1.00 12.42 H new ATOM 0 HG13 VAL A 80 -3.074 -2.787 5.321 1.00 12.42 H new ATOM 0 HG21 VAL A 80 -4.586 -3.824 7.875 1.00 34.21 H new ATOM 0 HG22 VAL A 80 -2.842 -3.469 7.893 1.00 34.21 H new ATOM 0 HG23 VAL A 80 -3.925 -2.668 9.055 1.00 34.21 H new ATOM 1313 N ILE A 81 -2.653 0.950 5.517 1.00 34.30 N ATOM 1314 CA ILE A 81 -2.999 2.068 4.634 1.00 21.44 C ATOM 1315 C ILE A 81 -3.143 1.527 3.201 1.00 15.52 C ATOM 1316 O ILE A 81 -2.175 1.068 2.614 1.00 63.32 O ATOM 1317 CB ILE A 81 -1.941 3.248 4.683 1.00 14.52 C ATOM 1318 CG1 ILE A 81 -1.987 4.043 6.043 1.00 53.14 C ATOM 1319 CG2 ILE A 81 -2.144 4.216 3.495 1.00 62.43 C ATOM 1320 CD1 ILE A 81 -1.444 3.315 7.266 1.00 12.32 C ATOM 0 H ILE A 81 -1.725 0.563 5.344 1.00 34.30 H new ATOM 0 HA ILE A 81 -3.939 2.498 4.980 1.00 21.44 H new ATOM 0 HB ILE A 81 -0.956 2.788 4.607 1.00 14.52 H new ATOM 0 HG12 ILE A 81 -1.425 4.969 5.918 1.00 53.14 H new ATOM 0 HG13 ILE A 81 -3.022 4.322 6.242 1.00 53.14 H new ATOM 0 HG21 ILE A 81 -1.407 5.018 3.549 1.00 62.43 H new ATOM 0 HG22 ILE A 81 -2.021 3.673 2.558 1.00 62.43 H new ATOM 0 HG23 ILE A 81 -3.147 4.641 3.539 1.00 62.43 H new ATOM 0 HD11 ILE A 81 -1.528 3.960 8.140 1.00 12.32 H new ATOM 0 HD12 ILE A 81 -2.018 2.403 7.431 1.00 12.32 H new ATOM 0 HD13 ILE A 81 -0.397 3.060 7.102 1.00 12.32 H new ATOM 1332 N VAL A 82 -4.360 1.573 2.652 1.00 10.14 N ATOM 1333 CA VAL A 82 -4.651 1.090 1.291 1.00 74.50 C ATOM 1334 C VAL A 82 -4.780 2.298 0.345 1.00 31.40 C ATOM 1335 O VAL A 82 -5.699 3.072 0.486 1.00 71.30 O ATOM 1336 CB VAL A 82 -5.981 0.235 1.289 1.00 23.30 C ATOM 1337 CG1 VAL A 82 -6.354 -0.252 -0.130 1.00 43.43 C ATOM 1338 CG2 VAL A 82 -5.880 -0.951 2.284 1.00 21.22 C ATOM 0 H VAL A 82 -5.176 1.946 3.137 1.00 10.14 H new ATOM 0 HA VAL A 82 -3.838 0.451 0.947 1.00 74.50 H new ATOM 0 HB VAL A 82 -6.787 0.888 1.623 1.00 23.30 H new ATOM 0 HG11 VAL A 82 -7.274 -0.835 -0.084 1.00 43.43 H new ATOM 0 HG12 VAL A 82 -6.502 0.608 -0.783 1.00 43.43 H new ATOM 0 HG13 VAL A 82 -5.550 -0.873 -0.525 1.00 43.43 H new ATOM 0 HG21 VAL A 82 -6.808 -1.523 2.263 1.00 21.22 H new ATOM 0 HG22 VAL A 82 -5.049 -1.596 1.998 1.00 21.22 H new ATOM 0 HG23 VAL A 82 -5.712 -0.568 3.291 1.00 21.22 H new ATOM 1348 N ILE A 83 -3.851 2.471 -0.607 1.00 11.13 N ATOM 1349 CA ILE A 83 -3.881 3.612 -1.558 1.00 64.24 C ATOM 1350 C ILE A 83 -4.225 3.110 -2.965 1.00 40.33 C ATOM 1351 O ILE A 83 -3.417 2.460 -3.616 1.00 63.12 O ATOM 1352 CB ILE A 83 -2.512 4.389 -1.583 1.00 13.40 C ATOM 1353 CG1 ILE A 83 -2.131 4.844 -0.144 1.00 74.24 C ATOM 1354 CG2 ILE A 83 -2.565 5.595 -2.563 1.00 13.55 C ATOM 1355 CD1 ILE A 83 -0.802 5.559 -0.025 1.00 70.22 C ATOM 0 H ILE A 83 -3.064 1.837 -0.746 1.00 11.13 H new ATOM 0 HA ILE A 83 -4.649 4.307 -1.219 1.00 64.24 H new ATOM 0 HB ILE A 83 -1.738 3.714 -1.947 1.00 13.40 H new ATOM 0 HG12 ILE A 83 -2.915 5.502 0.231 1.00 74.24 H new ATOM 0 HG13 ILE A 83 -2.113 3.968 0.504 1.00 74.24 H new ATOM 0 HG21 ILE A 83 -1.605 6.111 -2.557 1.00 13.55 H new ATOM 0 HG22 ILE A 83 -2.778 5.236 -3.570 1.00 13.55 H new ATOM 0 HG23 ILE A 83 -3.349 6.284 -2.250 1.00 13.55 H new ATOM 0 HD11 ILE A 83 -0.629 5.835 1.015 1.00 70.22 H new ATOM 0 HD12 ILE A 83 -0.003 4.900 -0.364 1.00 70.22 H new ATOM 0 HD13 ILE A 83 -0.816 6.458 -0.641 1.00 70.22 H new ATOM 1367 N ILE A 84 -5.438 3.403 -3.420 1.00 73.03 N ATOM 1368 CA ILE A 84 -5.914 2.998 -4.747 1.00 50.24 C ATOM 1369 C ILE A 84 -5.584 4.101 -5.763 1.00 22.14 C ATOM 1370 O ILE A 84 -6.116 5.208 -5.664 1.00 21.01 O ATOM 1371 CB ILE A 84 -7.461 2.734 -4.731 1.00 63.42 C ATOM 1372 CG1 ILE A 84 -7.846 1.815 -3.533 1.00 3.03 C ATOM 1373 CG2 ILE A 84 -7.938 2.130 -6.080 1.00 22.13 C ATOM 1374 CD1 ILE A 84 -9.330 1.721 -3.278 1.00 51.42 C ATOM 0 H ILE A 84 -6.125 3.930 -2.881 1.00 73.03 H new ATOM 0 HA ILE A 84 -5.414 2.072 -5.031 1.00 50.24 H new ATOM 0 HB ILE A 84 -7.970 3.689 -4.601 1.00 63.42 H new ATOM 0 HG12 ILE A 84 -7.456 0.814 -3.718 1.00 3.03 H new ATOM 0 HG13 ILE A 84 -7.357 2.187 -2.633 1.00 3.03 H new ATOM 0 HG21 ILE A 84 -9.014 1.957 -6.041 1.00 22.13 H new ATOM 0 HG22 ILE A 84 -7.711 2.823 -6.890 1.00 22.13 H new ATOM 0 HG23 ILE A 84 -7.425 1.185 -6.257 1.00 22.13 H new ATOM 0 HD11 ILE A 84 -9.512 1.063 -2.429 1.00 51.42 H new ATOM 0 HD12 ILE A 84 -9.725 2.713 -3.060 1.00 51.42 H new ATOM 0 HD13 ILE A 84 -9.826 1.319 -4.161 1.00 51.42 H new ATOM 1386 N VAL A 85 -4.651 3.821 -6.680 1.00 14.41 N ATOM 1387 CA VAL A 85 -4.366 4.684 -7.828 1.00 11.03 C ATOM 1388 C VAL A 85 -5.151 4.172 -9.046 1.00 75.53 C ATOM 1389 O VAL A 85 -4.772 3.166 -9.657 1.00 11.13 O ATOM 1390 CB VAL A 85 -2.829 4.729 -8.166 1.00 52.11 C ATOM 1391 CG1 VAL A 85 -2.514 5.878 -9.152 1.00 12.42 C ATOM 1392 CG2 VAL A 85 -1.977 4.822 -6.882 1.00 54.33 C ATOM 0 H VAL A 85 -4.070 2.984 -6.645 1.00 14.41 H new ATOM 0 HA VAL A 85 -4.673 5.699 -7.575 1.00 11.03 H new ATOM 0 HB VAL A 85 -2.563 3.794 -8.659 1.00 52.11 H new ATOM 0 HG11 VAL A 85 -1.446 5.888 -9.370 1.00 12.42 H new ATOM 0 HG12 VAL A 85 -3.071 5.727 -10.076 1.00 12.42 H new ATOM 0 HG13 VAL A 85 -2.802 6.830 -8.706 1.00 12.42 H new ATOM 0 HG21 VAL A 85 -0.920 4.851 -7.148 1.00 54.33 H new ATOM 0 HG22 VAL A 85 -2.239 5.728 -6.336 1.00 54.33 H new ATOM 0 HG23 VAL A 85 -2.169 3.952 -6.254 1.00 54.33 H new ATOM 1402 N SER A 86 -6.262 4.845 -9.360 1.00 62.41 N ATOM 1403 CA SER A 86 -7.100 4.547 -10.526 1.00 54.23 C ATOM 1404 C SER A 86 -7.735 5.859 -11.018 1.00 42.21 C ATOM 1405 O SER A 86 -8.291 6.617 -10.217 1.00 50.23 O ATOM 1406 CB SER A 86 -8.206 3.515 -10.164 1.00 73.24 C ATOM 1407 OG SER A 86 -7.661 2.270 -9.738 1.00 60.31 O ATOM 0 H SER A 86 -6.610 5.625 -8.802 1.00 62.41 H new ATOM 0 HA SER A 86 -6.486 4.110 -11.313 1.00 54.23 H new ATOM 0 HB2 SER A 86 -8.837 3.923 -9.374 1.00 73.24 H new ATOM 0 HB3 SER A 86 -8.846 3.352 -11.031 1.00 73.24 H new ATOM 0 HG SER A 86 -8.389 1.652 -9.519 1.00 60.31 H new ATOM 1413 N GLN A 87 -7.638 6.128 -12.333 1.00 71.11 N ATOM 1414 CA GLN A 87 -8.289 7.295 -12.968 1.00 10.50 C ATOM 1415 C GLN A 87 -9.826 7.151 -12.920 1.00 40.53 C ATOM 1416 O GLN A 87 -10.560 8.148 -12.940 1.00 63.14 O ATOM 1417 CB GLN A 87 -7.790 7.475 -14.426 1.00 31.41 C ATOM 1418 CG GLN A 87 -8.083 6.287 -15.369 1.00 62.41 C ATOM 1419 CD GLN A 87 -7.616 6.495 -16.815 1.00 52.25 C ATOM 1420 OE1 GLN A 87 -6.629 7.186 -17.076 1.00 3.35 O ATOM 1421 NE2 GLN A 87 -8.319 5.895 -17.767 1.00 2.04 N ATOM 0 H GLN A 87 -7.110 5.548 -12.985 1.00 71.11 H new ATOM 0 HA GLN A 87 -8.016 8.190 -12.408 1.00 10.50 H new ATOM 0 HB2 GLN A 87 -8.249 8.372 -14.843 1.00 31.41 H new ATOM 0 HB3 GLN A 87 -6.714 7.647 -14.407 1.00 31.41 H new ATOM 0 HG2 GLN A 87 -7.601 5.395 -14.969 1.00 62.41 H new ATOM 0 HG3 GLN A 87 -9.156 6.096 -15.371 1.00 62.41 H new ATOM 0 HE21 GLN A 87 -9.131 5.329 -17.521 1.00 2.04 H new ATOM 0 HE22 GLN A 87 -8.047 6.000 -18.745 1.00 2.04 H new ATOM 1430 N ASP A 88 -10.286 5.888 -12.858 1.00 1.10 N ATOM 1431 CA ASP A 88 -11.698 5.550 -12.670 1.00 75.24 C ATOM 1432 C ASP A 88 -12.068 5.772 -11.204 1.00 24.11 C ATOM 1433 O ASP A 88 -11.688 4.978 -10.330 1.00 62.03 O ATOM 1434 CB ASP A 88 -11.975 4.082 -13.077 1.00 24.54 C ATOM 1435 CG ASP A 88 -11.685 3.823 -14.561 1.00 72.54 C ATOM 1436 OD1 ASP A 88 -12.550 4.138 -15.406 1.00 32.51 O ATOM 1437 OD2 ASP A 88 -10.589 3.318 -14.891 1.00 41.21 O ATOM 0 H ASP A 88 -9.680 5.072 -12.938 1.00 1.10 H new ATOM 0 HA ASP A 88 -12.307 6.191 -13.307 1.00 75.24 H new ATOM 0 HB2 ASP A 88 -11.362 3.417 -12.468 1.00 24.54 H new ATOM 0 HB3 ASP A 88 -13.016 3.839 -12.865 1.00 24.54 H new ATOM 1442 N GLU A 89 -12.785 6.875 -10.941 1.00 42.43 N ATOM 1443 CA GLU A 89 -13.246 7.228 -9.594 1.00 20.00 C ATOM 1444 C GLU A 89 -14.251 6.206 -9.050 1.00 63.21 C ATOM 1445 O GLU A 89 -14.399 6.087 -7.849 1.00 11.45 O ATOM 1446 CB GLU A 89 -13.845 8.648 -9.565 1.00 12.44 C ATOM 1447 CG GLU A 89 -12.843 9.762 -9.924 1.00 44.44 C ATOM 1448 CD GLU A 89 -13.416 11.159 -9.662 1.00 41.21 C ATOM 1449 OE1 GLU A 89 -14.079 11.726 -10.550 1.00 31.14 O ATOM 1450 OE2 GLU A 89 -13.230 11.681 -8.547 1.00 43.22 O ATOM 0 H GLU A 89 -13.060 7.546 -11.658 1.00 42.43 H new ATOM 0 HA GLU A 89 -12.373 7.211 -8.942 1.00 20.00 H new ATOM 0 HB2 GLU A 89 -14.684 8.691 -10.260 1.00 12.44 H new ATOM 0 HB3 GLU A 89 -14.245 8.841 -8.570 1.00 12.44 H new ATOM 0 HG2 GLU A 89 -11.931 9.630 -9.342 1.00 44.44 H new ATOM 0 HG3 GLU A 89 -12.566 9.675 -10.975 1.00 44.44 H new ATOM 1457 N GLU A 90 -14.919 5.471 -9.954 1.00 45.24 N ATOM 1458 CA GLU A 90 -15.826 4.366 -9.591 1.00 2.11 C ATOM 1459 C GLU A 90 -15.055 3.300 -8.785 1.00 65.12 C ATOM 1460 O GLU A 90 -15.528 2.841 -7.746 1.00 52.42 O ATOM 1461 CB GLU A 90 -16.464 3.734 -10.870 1.00 22.22 C ATOM 1462 CG GLU A 90 -17.516 4.614 -11.590 1.00 54.33 C ATOM 1463 CD GLU A 90 -16.984 5.978 -12.070 1.00 32.22 C ATOM 1464 OE1 GLU A 90 -16.136 6.004 -12.983 1.00 61.34 O ATOM 1465 OE2 GLU A 90 -17.383 7.025 -11.521 1.00 72.52 O ATOM 0 H GLU A 90 -14.846 5.625 -10.960 1.00 45.24 H new ATOM 0 HA GLU A 90 -16.632 4.761 -8.972 1.00 2.11 H new ATOM 0 HB2 GLU A 90 -15.667 3.499 -11.575 1.00 22.22 H new ATOM 0 HB3 GLU A 90 -16.933 2.790 -10.593 1.00 22.22 H new ATOM 0 HG2 GLU A 90 -17.903 4.066 -12.449 1.00 54.33 H new ATOM 0 HG3 GLU A 90 -18.355 4.782 -10.914 1.00 54.33 H new ATOM 1472 N ALA A 91 -13.839 2.968 -9.267 1.00 45.54 N ATOM 1473 CA ALA A 91 -12.928 2.016 -8.601 1.00 63.12 C ATOM 1474 C ALA A 91 -12.398 2.588 -7.270 1.00 1.33 C ATOM 1475 O ALA A 91 -12.199 1.845 -6.302 1.00 43.22 O ATOM 1476 CB ALA A 91 -11.763 1.648 -9.538 1.00 43.42 C ATOM 0 H ALA A 91 -13.461 3.354 -10.132 1.00 45.54 H new ATOM 0 HA ALA A 91 -13.491 1.111 -8.372 1.00 63.12 H new ATOM 0 HB1 ALA A 91 -11.099 0.945 -9.034 1.00 43.42 H new ATOM 0 HB2 ALA A 91 -12.157 1.189 -10.445 1.00 43.42 H new ATOM 0 HB3 ALA A 91 -11.208 2.549 -9.799 1.00 43.42 H new ATOM 1482 N LEU A 92 -12.191 3.924 -7.241 1.00 0.33 N ATOM 1483 CA LEU A 92 -11.681 4.641 -6.058 1.00 4.01 C ATOM 1484 C LEU A 92 -12.685 4.588 -4.893 1.00 45.42 C ATOM 1485 O LEU A 92 -12.337 4.148 -3.803 1.00 24.11 O ATOM 1486 CB LEU A 92 -11.366 6.125 -6.402 1.00 3.10 C ATOM 1487 CG LEU A 92 -10.229 6.377 -7.431 1.00 2.25 C ATOM 1488 CD1 LEU A 92 -9.993 7.888 -7.637 1.00 62.22 C ATOM 1489 CD2 LEU A 92 -8.935 5.666 -7.016 1.00 33.14 C ATOM 0 H LEU A 92 -12.374 4.532 -8.039 1.00 0.33 H new ATOM 0 HA LEU A 92 -10.763 4.141 -5.750 1.00 4.01 H new ATOM 0 HB2 LEU A 92 -12.277 6.587 -6.782 1.00 3.10 H new ATOM 0 HB3 LEU A 92 -11.109 6.641 -5.477 1.00 3.10 H new ATOM 0 HG LEU A 92 -10.545 5.955 -8.385 1.00 2.25 H new ATOM 0 HD11 LEU A 92 -9.192 8.036 -8.362 1.00 62.22 H new ATOM 0 HD12 LEU A 92 -10.907 8.352 -8.007 1.00 62.22 H new ATOM 0 HD13 LEU A 92 -9.712 8.345 -6.688 1.00 62.22 H new ATOM 0 HD21 LEU A 92 -8.159 5.862 -7.756 1.00 33.14 H new ATOM 0 HD22 LEU A 92 -8.611 6.038 -6.044 1.00 33.14 H new ATOM 0 HD23 LEU A 92 -9.114 4.593 -6.953 1.00 33.14 H new ATOM 1501 N ARG A 93 -13.938 5.014 -5.164 1.00 21.15 N ATOM 1502 CA ARG A 93 -14.981 5.180 -4.125 1.00 33.42 C ATOM 1503 C ARG A 93 -15.441 3.811 -3.602 1.00 30.35 C ATOM 1504 O ARG A 93 -15.734 3.659 -2.410 1.00 60.05 O ATOM 1505 CB ARG A 93 -16.194 5.992 -4.672 1.00 53.21 C ATOM 1506 CG ARG A 93 -15.825 7.310 -5.398 1.00 62.14 C ATOM 1507 CD ARG A 93 -14.974 8.272 -4.554 1.00 10.34 C ATOM 1508 NE ARG A 93 -14.238 9.240 -5.390 1.00 43.31 N ATOM 1509 CZ ARG A 93 -13.096 9.855 -5.032 1.00 42.35 C ATOM 1510 NH1 ARG A 93 -12.538 9.624 -3.840 1.00 75.42 N ATOM 1511 NH2 ARG A 93 -12.511 10.688 -5.879 1.00 64.03 N ATOM 0 H ARG A 93 -14.255 5.252 -6.104 1.00 21.15 H new ATOM 0 HA ARG A 93 -14.547 5.741 -3.297 1.00 33.42 H new ATOM 0 HB2 ARG A 93 -16.754 5.360 -5.361 1.00 53.21 H new ATOM 0 HB3 ARG A 93 -16.860 6.226 -3.841 1.00 53.21 H new ATOM 0 HG2 ARG A 93 -15.283 7.069 -6.313 1.00 62.14 H new ATOM 0 HG3 ARG A 93 -16.742 7.818 -5.695 1.00 62.14 H new ATOM 0 HD2 ARG A 93 -15.618 8.810 -3.858 1.00 10.34 H new ATOM 0 HD3 ARG A 93 -14.266 7.699 -3.955 1.00 10.34 H new ATOM 0 HE ARG A 93 -14.624 9.459 -6.308 1.00 43.31 H new ATOM 0 HH11 ARG A 93 -12.978 8.974 -3.188 1.00 75.42 H new ATOM 0 HH12 ARG A 93 -11.672 10.097 -3.582 1.00 75.42 H new ATOM 0 HH21 ARG A 93 -12.926 10.859 -6.795 1.00 64.03 H new ATOM 0 HH22 ARG A 93 -11.645 11.158 -5.616 1.00 64.03 H new ATOM 1525 N LYS A 94 -15.482 2.821 -4.517 1.00 33.44 N ATOM 1526 CA LYS A 94 -15.888 1.444 -4.200 1.00 72.32 C ATOM 1527 C LYS A 94 -14.863 0.793 -3.253 1.00 71.24 C ATOM 1528 O LYS A 94 -15.221 0.319 -2.174 1.00 31.24 O ATOM 1529 CB LYS A 94 -16.054 0.607 -5.520 1.00 45.11 C ATOM 1530 CG LYS A 94 -17.473 0.039 -5.766 1.00 14.20 C ATOM 1531 CD LYS A 94 -17.893 -1.027 -4.723 1.00 2.31 C ATOM 1532 CE LYS A 94 -16.949 -2.240 -4.701 1.00 60.23 C ATOM 1533 NZ LYS A 94 -17.394 -3.267 -3.727 1.00 14.10 N ATOM 0 H LYS A 94 -15.233 2.958 -5.497 1.00 33.44 H new ATOM 0 HA LYS A 94 -16.852 1.466 -3.692 1.00 72.32 H new ATOM 0 HB2 LYS A 94 -15.780 1.236 -6.367 1.00 45.11 H new ATOM 0 HB3 LYS A 94 -15.347 -0.222 -5.497 1.00 45.11 H new ATOM 0 HG2 LYS A 94 -18.193 0.857 -5.750 1.00 14.20 H new ATOM 0 HG3 LYS A 94 -17.513 -0.401 -6.762 1.00 14.20 H new ATOM 0 HD2 LYS A 94 -17.916 -0.571 -3.733 1.00 2.31 H new ATOM 0 HD3 LYS A 94 -18.906 -1.364 -4.942 1.00 2.31 H new ATOM 0 HE2 LYS A 94 -16.900 -2.681 -5.697 1.00 60.23 H new ATOM 0 HE3 LYS A 94 -15.941 -1.912 -4.448 1.00 60.23 H new ATOM 0 HZ1 LYS A 94 -16.574 -3.824 -3.411 1.00 14.10 H new ATOM 0 HZ2 LYS A 94 -17.833 -2.801 -2.908 1.00 14.10 H new ATOM 0 HZ3 LYS A 94 -18.087 -3.897 -4.179 1.00 14.10 H new ATOM 1547 N GLY A 95 -13.582 0.845 -3.652 1.00 15.41 N ATOM 1548 CA GLY A 95 -12.501 0.257 -2.869 1.00 3.33 C ATOM 1549 C GLY A 95 -12.262 0.985 -1.552 1.00 63.23 C ATOM 1550 O GLY A 95 -11.864 0.368 -0.559 1.00 60.11 O ATOM 0 H GLY A 95 -13.276 1.292 -4.517 1.00 15.41 H new ATOM 0 HA2 GLY A 95 -12.734 -0.788 -2.664 1.00 3.33 H new ATOM 0 HA3 GLY A 95 -11.584 0.270 -3.458 1.00 3.33 H new ATOM 1554 N TYR A 96 -12.517 2.313 -1.557 1.00 21.14 N ATOM 1555 CA TYR A 96 -12.331 3.173 -0.381 1.00 42.34 C ATOM 1556 C TYR A 96 -13.223 2.707 0.756 1.00 50.03 C ATOM 1557 O TYR A 96 -12.722 2.329 1.804 1.00 31.31 O ATOM 1558 CB TYR A 96 -12.626 4.652 -0.730 1.00 64.02 C ATOM 1559 CG TYR A 96 -12.450 5.657 0.427 1.00 60.44 C ATOM 1560 CD1 TYR A 96 -11.187 6.083 0.831 1.00 21.21 C ATOM 1561 CD2 TYR A 96 -13.552 6.191 1.099 1.00 14.21 C ATOM 1562 CE1 TYR A 96 -11.031 6.993 1.858 1.00 11.24 C ATOM 1563 CE2 TYR A 96 -13.400 7.104 2.122 1.00 4.55 C ATOM 1564 CZ TYR A 96 -12.137 7.502 2.499 1.00 23.41 C ATOM 1565 OH TYR A 96 -11.979 8.411 3.525 1.00 32.14 O ATOM 0 H TYR A 96 -12.857 2.812 -2.379 1.00 21.14 H new ATOM 0 HA TYR A 96 -11.291 3.101 -0.062 1.00 42.34 H new ATOM 0 HB2 TYR A 96 -11.972 4.951 -1.550 1.00 64.02 H new ATOM 0 HB3 TYR A 96 -13.650 4.723 -1.097 1.00 64.02 H new ATOM 0 HD1 TYR A 96 -10.312 5.694 0.331 1.00 21.21 H new ATOM 0 HD2 TYR A 96 -14.546 5.882 0.811 1.00 14.21 H new ATOM 0 HE1 TYR A 96 -10.041 7.305 2.158 1.00 11.24 H new ATOM 0 HE2 TYR A 96 -14.268 7.505 2.625 1.00 4.55 H new ATOM 0 HH TYR A 96 -12.859 8.672 3.869 1.00 32.14 H new ATOM 1575 N GLU A 97 -14.533 2.675 0.492 1.00 31.03 N ATOM 1576 CA GLU A 97 -15.542 2.334 1.497 1.00 14.01 C ATOM 1577 C GLU A 97 -15.418 0.879 1.962 1.00 52.14 C ATOM 1578 O GLU A 97 -15.541 0.602 3.152 1.00 43.03 O ATOM 1579 CB GLU A 97 -16.954 2.593 0.932 1.00 0.20 C ATOM 1580 CG GLU A 97 -17.285 4.077 0.696 1.00 22.33 C ATOM 1581 CD GLU A 97 -17.352 4.881 2.006 1.00 60.35 C ATOM 1582 OE1 GLU A 97 -18.259 4.613 2.828 1.00 54.33 O ATOM 1583 OE2 GLU A 97 -16.508 5.769 2.229 1.00 23.45 O ATOM 0 H GLU A 97 -14.923 2.885 -0.427 1.00 31.03 H new ATOM 0 HA GLU A 97 -15.373 2.970 2.366 1.00 14.01 H new ATOM 0 HB2 GLU A 97 -17.058 2.056 -0.011 1.00 0.20 H new ATOM 0 HB3 GLU A 97 -17.689 2.175 1.620 1.00 0.20 H new ATOM 0 HG2 GLU A 97 -16.530 4.515 0.043 1.00 22.33 H new ATOM 0 HG3 GLU A 97 -18.240 4.155 0.176 1.00 22.33 H new ATOM 1590 N ASP A 98 -15.162 -0.028 1.003 1.00 52.30 N ATOM 1591 CA ASP A 98 -15.084 -1.478 1.266 1.00 54.01 C ATOM 1592 C ASP A 98 -13.938 -1.836 2.225 1.00 44.03 C ATOM 1593 O ASP A 98 -14.129 -2.647 3.124 1.00 42.53 O ATOM 1594 CB ASP A 98 -14.964 -2.273 -0.065 1.00 55.02 C ATOM 1595 CG ASP A 98 -16.329 -2.569 -0.718 1.00 63.33 C ATOM 1596 OD1 ASP A 98 -17.005 -1.625 -1.181 1.00 74.54 O ATOM 1597 OD2 ASP A 98 -16.747 -3.750 -0.759 1.00 65.33 O ATOM 0 H ASP A 98 -15.004 0.221 0.027 1.00 52.30 H new ATOM 0 HA ASP A 98 -16.012 -1.765 1.760 1.00 54.01 H new ATOM 0 HB2 ASP A 98 -14.348 -1.708 -0.765 1.00 55.02 H new ATOM 0 HB3 ASP A 98 -14.448 -3.214 0.126 1.00 55.02 H new ATOM 1602 N LYS A 99 -12.751 -1.248 2.015 1.00 51.45 N ATOM 1603 CA LYS A 99 -11.579 -1.484 2.897 1.00 4.11 C ATOM 1604 C LYS A 99 -11.695 -0.662 4.203 1.00 72.12 C ATOM 1605 O LYS A 99 -11.276 -1.117 5.269 1.00 13.12 O ATOM 1606 CB LYS A 99 -10.240 -1.191 2.144 1.00 55.12 C ATOM 1607 CG LYS A 99 -9.772 -2.303 1.160 1.00 1.24 C ATOM 1608 CD LYS A 99 -10.768 -2.562 0.007 1.00 5.14 C ATOM 1609 CE LYS A 99 -10.285 -3.621 -0.982 1.00 50.35 C ATOM 1610 NZ LYS A 99 -11.297 -3.863 -2.029 1.00 24.21 N ATOM 0 H LYS A 99 -12.569 -0.605 1.245 1.00 51.45 H new ATOM 0 HA LYS A 99 -11.570 -2.538 3.175 1.00 4.11 H new ATOM 0 HB2 LYS A 99 -10.351 -0.260 1.588 1.00 55.12 H new ATOM 0 HB3 LYS A 99 -9.455 -1.029 2.883 1.00 55.12 H new ATOM 0 HG2 LYS A 99 -8.806 -2.023 0.740 1.00 1.24 H new ATOM 0 HG3 LYS A 99 -9.622 -3.229 1.715 1.00 1.24 H new ATOM 0 HD2 LYS A 99 -11.724 -2.875 0.426 1.00 5.14 H new ATOM 0 HD3 LYS A 99 -10.945 -1.629 -0.528 1.00 5.14 H new ATOM 0 HE2 LYS A 99 -9.351 -3.297 -1.441 1.00 50.35 H new ATOM 0 HE3 LYS A 99 -10.074 -4.550 -0.452 1.00 50.35 H new ATOM 0 HZ1 LYS A 99 -11.517 -4.879 -2.071 1.00 24.21 H new ATOM 0 HZ2 LYS A 99 -12.162 -3.331 -1.805 1.00 24.21 H new ATOM 0 HZ3 LYS A 99 -10.926 -3.551 -2.949 1.00 24.21 H new ATOM 1624 N LYS A 100 -12.298 0.533 4.108 1.00 22.30 N ATOM 1625 CA LYS A 100 -12.443 1.466 5.255 1.00 4.45 C ATOM 1626 C LYS A 100 -13.414 0.920 6.322 1.00 54.11 C ATOM 1627 O LYS A 100 -13.194 1.117 7.527 1.00 5.24 O ATOM 1628 CB LYS A 100 -12.906 2.847 4.734 1.00 24.45 C ATOM 1629 CG LYS A 100 -13.181 3.920 5.802 1.00 11.31 C ATOM 1630 CD LYS A 100 -13.587 5.269 5.166 1.00 41.42 C ATOM 1631 CE LYS A 100 -14.053 6.302 6.203 1.00 62.40 C ATOM 1632 NZ LYS A 100 -15.326 5.894 6.858 1.00 33.31 N ATOM 0 H LYS A 100 -12.700 0.886 3.240 1.00 22.30 H new ATOM 0 HA LYS A 100 -11.473 1.570 5.742 1.00 4.45 H new ATOM 0 HB2 LYS A 100 -12.145 3.229 4.053 1.00 24.45 H new ATOM 0 HB3 LYS A 100 -13.815 2.705 4.149 1.00 24.45 H new ATOM 0 HG2 LYS A 100 -13.974 3.577 6.466 1.00 11.31 H new ATOM 0 HG3 LYS A 100 -12.291 4.060 6.415 1.00 11.31 H new ATOM 0 HD2 LYS A 100 -12.740 5.674 4.613 1.00 41.42 H new ATOM 0 HD3 LYS A 100 -14.387 5.099 4.445 1.00 41.42 H new ATOM 0 HE2 LYS A 100 -13.280 6.431 6.960 1.00 62.40 H new ATOM 0 HE3 LYS A 100 -14.188 7.269 5.718 1.00 62.40 H new ATOM 0 HZ1 LYS A 100 -15.704 6.691 7.408 1.00 33.31 H new ATOM 0 HZ2 LYS A 100 -16.016 5.616 6.132 1.00 33.31 H new ATOM 0 HZ3 LYS A 100 -15.148 5.089 7.492 1.00 33.31 H new ATOM 1646 N LYS A 101 -14.465 0.206 5.876 1.00 30.40 N ATOM 1647 CA LYS A 101 -15.461 -0.414 6.783 1.00 1.32 C ATOM 1648 C LYS A 101 -14.877 -1.660 7.488 1.00 21.23 C ATOM 1649 O LYS A 101 -15.441 -2.153 8.474 1.00 3.23 O ATOM 1650 CB LYS A 101 -16.763 -0.764 6.010 1.00 31.01 C ATOM 1651 CG LYS A 101 -16.612 -1.860 4.935 1.00 43.10 C ATOM 1652 CD LYS A 101 -17.847 -1.985 4.009 1.00 54.32 C ATOM 1653 CE LYS A 101 -19.132 -2.381 4.756 1.00 14.15 C ATOM 1654 NZ LYS A 101 -20.304 -2.483 3.841 1.00 74.24 N ATOM 0 H LYS A 101 -14.650 0.041 4.887 1.00 30.40 H new ATOM 0 HA LYS A 101 -15.712 0.312 7.556 1.00 1.32 H new ATOM 0 HB2 LYS A 101 -17.519 -1.083 6.728 1.00 31.01 H new ATOM 0 HB3 LYS A 101 -17.138 0.141 5.533 1.00 31.01 H new ATOM 0 HG2 LYS A 101 -15.732 -1.645 4.328 1.00 43.10 H new ATOM 0 HG3 LYS A 101 -16.436 -2.818 5.425 1.00 43.10 H new ATOM 0 HD2 LYS A 101 -18.009 -1.034 3.501 1.00 54.32 H new ATOM 0 HD3 LYS A 101 -17.640 -2.727 3.238 1.00 54.32 H new ATOM 0 HE2 LYS A 101 -18.980 -3.337 5.257 1.00 14.15 H new ATOM 0 HE3 LYS A 101 -19.341 -1.644 5.532 1.00 14.15 H new ATOM 0 HZ1 LYS A 101 -21.148 -2.752 4.386 1.00 74.24 H new ATOM 0 HZ2 LYS A 101 -20.467 -1.564 3.382 1.00 74.24 H new ATOM 0 HZ3 LYS A 101 -20.116 -3.204 3.116 1.00 74.24 H new ATOM 1668 N LYS A 102 -13.745 -2.163 6.954 1.00 15.03 N ATOM 1669 CA LYS A 102 -12.961 -3.253 7.568 1.00 35.11 C ATOM 1670 C LYS A 102 -11.927 -2.688 8.566 1.00 74.51 C ATOM 1671 O LYS A 102 -11.251 -3.454 9.252 1.00 63.12 O ATOM 1672 CB LYS A 102 -12.228 -4.054 6.467 1.00 33.13 C ATOM 1673 CG LYS A 102 -13.142 -4.647 5.378 1.00 34.13 C ATOM 1674 CD LYS A 102 -12.344 -5.315 4.235 1.00 63.21 C ATOM 1675 CE LYS A 102 -13.245 -5.802 3.091 1.00 55.12 C ATOM 1676 NZ LYS A 102 -14.249 -6.796 3.546 1.00 14.22 N ATOM 0 H LYS A 102 -13.347 -1.822 6.079 1.00 15.03 H new ATOM 0 HA LYS A 102 -13.646 -3.908 8.106 1.00 35.11 H new ATOM 0 HB2 LYS A 102 -11.496 -3.402 5.991 1.00 33.13 H new ATOM 0 HB3 LYS A 102 -11.674 -4.866 6.937 1.00 33.13 H new ATOM 0 HG2 LYS A 102 -13.809 -5.382 5.829 1.00 34.13 H new ATOM 0 HG3 LYS A 102 -13.770 -3.857 4.965 1.00 34.13 H new ATOM 0 HD2 LYS A 102 -11.616 -4.605 3.842 1.00 63.21 H new ATOM 0 HD3 LYS A 102 -11.782 -6.159 4.634 1.00 63.21 H new ATOM 0 HE2 LYS A 102 -13.758 -4.949 2.647 1.00 55.12 H new ATOM 0 HE3 LYS A 102 -12.628 -6.245 2.309 1.00 55.12 H new ATOM 0 HZ1 LYS A 102 -14.776 -7.157 2.726 1.00 14.22 H new ATOM 0 HZ2 LYS A 102 -13.766 -7.585 4.022 1.00 14.22 H new ATOM 0 HZ3 LYS A 102 -14.909 -6.344 4.210 1.00 14.22 H new ATOM 1690 N GLY A 103 -11.801 -1.346 8.612 1.00 71.24 N ATOM 1691 CA GLY A 103 -10.892 -0.663 9.535 1.00 23.11 C ATOM 1692 C GLY A 103 -9.502 -0.448 8.956 1.00 21.12 C ATOM 1693 O GLY A 103 -8.498 -0.593 9.666 1.00 44.30 O ATOM 0 H GLY A 103 -12.328 -0.713 8.010 1.00 71.24 H new ATOM 0 HA2 GLY A 103 -11.319 0.302 9.807 1.00 23.11 H new ATOM 0 HA3 GLY A 103 -10.810 -1.246 10.453 1.00 23.11 H new ATOM 1697 N TYR A 104 -9.441 -0.129 7.649 1.00 42.20 N ATOM 1698 CA TYR A 104 -8.183 0.227 6.954 1.00 23.13 C ATOM 1699 C TYR A 104 -8.241 1.710 6.548 1.00 12.52 C ATOM 1700 O TYR A 104 -9.305 2.201 6.142 1.00 4.20 O ATOM 1701 CB TYR A 104 -7.963 -0.675 5.696 1.00 61.14 C ATOM 1702 CG TYR A 104 -8.101 -2.194 5.952 1.00 51.01 C ATOM 1703 CD1 TYR A 104 -7.561 -2.790 7.089 1.00 21.54 C ATOM 1704 CD2 TYR A 104 -8.788 -3.023 5.061 1.00 52.05 C ATOM 1705 CE1 TYR A 104 -7.709 -4.138 7.329 1.00 64.23 C ATOM 1706 CE2 TYR A 104 -8.942 -4.372 5.305 1.00 61.10 C ATOM 1707 CZ TYR A 104 -8.398 -4.926 6.440 1.00 14.52 C ATOM 1708 OH TYR A 104 -8.555 -6.270 6.698 1.00 4.53 O ATOM 0 H TYR A 104 -10.261 -0.110 7.043 1.00 42.20 H new ATOM 0 HA TYR A 104 -7.343 0.062 7.628 1.00 23.13 H new ATOM 0 HB2 TYR A 104 -8.680 -0.384 4.928 1.00 61.14 H new ATOM 0 HB3 TYR A 104 -6.969 -0.478 5.295 1.00 61.14 H new ATOM 0 HD1 TYR A 104 -7.015 -2.183 7.796 1.00 21.54 H new ATOM 0 HD2 TYR A 104 -9.208 -2.598 4.161 1.00 52.05 H new ATOM 0 HE1 TYR A 104 -7.282 -4.577 8.219 1.00 64.23 H new ATOM 0 HE2 TYR A 104 -9.487 -4.990 4.608 1.00 61.10 H new ATOM 0 HH TYR A 104 -9.067 -6.685 5.972 1.00 4.53 H new ATOM 1718 N ASP A 105 -7.113 2.424 6.686 1.00 63.13 N ATOM 1719 CA ASP A 105 -7.009 3.840 6.291 1.00 61.13 C ATOM 1720 C ASP A 105 -6.746 3.927 4.788 1.00 0.01 C ATOM 1721 O ASP A 105 -5.624 3.706 4.333 1.00 72.53 O ATOM 1722 CB ASP A 105 -5.887 4.546 7.090 1.00 20.54 C ATOM 1723 CG ASP A 105 -6.130 4.487 8.607 1.00 53.12 C ATOM 1724 OD1 ASP A 105 -6.997 5.242 9.106 1.00 21.32 O ATOM 1725 OD2 ASP A 105 -5.471 3.687 9.306 1.00 10.10 O ATOM 0 H ASP A 105 -6.251 2.040 7.072 1.00 63.13 H new ATOM 0 HA ASP A 105 -7.947 4.348 6.517 1.00 61.13 H new ATOM 0 HB2 ASP A 105 -4.930 4.079 6.859 1.00 20.54 H new ATOM 0 HB3 ASP A 105 -5.819 5.587 6.775 1.00 20.54 H new ATOM 1730 N VAL A 106 -7.788 4.239 4.011 1.00 14.40 N ATOM 1731 CA VAL A 106 -7.719 4.188 2.546 1.00 61.03 C ATOM 1732 C VAL A 106 -7.539 5.601 1.965 1.00 41.23 C ATOM 1733 O VAL A 106 -8.016 6.586 2.540 1.00 25.15 O ATOM 1734 CB VAL A 106 -8.994 3.489 1.930 1.00 43.55 C ATOM 1735 CG1 VAL A 106 -8.809 3.189 0.419 1.00 21.14 C ATOM 1736 CG2 VAL A 106 -9.345 2.205 2.705 1.00 10.35 C ATOM 0 H VAL A 106 -8.695 4.531 4.375 1.00 14.40 H new ATOM 0 HA VAL A 106 -6.851 3.587 2.275 1.00 61.03 H new ATOM 0 HB VAL A 106 -9.827 4.186 2.026 1.00 43.55 H new ATOM 0 HG11 VAL A 106 -9.707 2.708 0.031 1.00 21.14 H new ATOM 0 HG12 VAL A 106 -8.635 4.121 -0.118 1.00 21.14 H new ATOM 0 HG13 VAL A 106 -7.954 2.526 0.282 1.00 21.14 H new ATOM 0 HG21 VAL A 106 -10.227 1.742 2.262 1.00 10.35 H new ATOM 0 HG22 VAL A 106 -8.507 1.510 2.656 1.00 10.35 H new ATOM 0 HG23 VAL A 106 -9.550 2.453 3.746 1.00 10.35 H new ATOM 1746 N TYR A 107 -6.796 5.685 0.857 1.00 40.12 N ATOM 1747 CA TYR A 107 -6.631 6.893 0.050 1.00 43.33 C ATOM 1748 C TYR A 107 -7.086 6.611 -1.379 1.00 51.45 C ATOM 1749 O TYR A 107 -6.915 5.496 -1.888 1.00 11.22 O ATOM 1750 CB TYR A 107 -5.154 7.352 0.055 1.00 11.44 C ATOM 1751 CG TYR A 107 -4.678 7.860 1.417 1.00 12.12 C ATOM 1752 CD1 TYR A 107 -4.870 9.189 1.793 1.00 44.13 C ATOM 1753 CD2 TYR A 107 -4.055 7.010 2.330 1.00 61.13 C ATOM 1754 CE1 TYR A 107 -4.447 9.650 3.020 1.00 64.43 C ATOM 1755 CE2 TYR A 107 -3.634 7.467 3.558 1.00 72.02 C ATOM 1756 CZ TYR A 107 -3.834 8.785 3.898 1.00 72.11 C ATOM 1757 OH TYR A 107 -3.413 9.244 5.122 1.00 45.42 O ATOM 0 H TYR A 107 -6.278 4.888 0.487 1.00 40.12 H new ATOM 0 HA TYR A 107 -7.239 7.691 0.476 1.00 43.33 H new ATOM 0 HB2 TYR A 107 -4.522 6.520 -0.255 1.00 11.44 H new ATOM 0 HB3 TYR A 107 -5.025 8.143 -0.684 1.00 11.44 H new ATOM 0 HD1 TYR A 107 -5.359 9.868 1.110 1.00 44.13 H new ATOM 0 HD2 TYR A 107 -3.900 5.974 2.069 1.00 61.13 H new ATOM 0 HE1 TYR A 107 -4.595 10.685 3.292 1.00 64.43 H new ATOM 0 HE2 TYR A 107 -3.149 6.795 4.251 1.00 72.02 H new ATOM 0 HH TYR A 107 -3.993 9.978 5.413 1.00 45.42 H new ATOM 1767 N THR A 108 -7.670 7.628 -2.012 1.00 4.44 N ATOM 1768 CA THR A 108 -8.110 7.569 -3.402 1.00 23.20 C ATOM 1769 C THR A 108 -7.296 8.571 -4.233 1.00 74.01 C ATOM 1770 O THR A 108 -7.224 9.756 -3.895 1.00 45.54 O ATOM 1771 CB THR A 108 -9.632 7.897 -3.490 1.00 52.32 C ATOM 1772 OG1 THR A 108 -9.899 9.165 -2.861 1.00 3.22 O ATOM 1773 CG2 THR A 108 -10.491 6.817 -2.815 1.00 35.31 C ATOM 0 H THR A 108 -7.852 8.527 -1.566 1.00 4.44 H new ATOM 0 HA THR A 108 -7.950 6.566 -3.796 1.00 23.20 H new ATOM 0 HB THR A 108 -9.894 7.934 -4.547 1.00 52.32 H new ATOM 0 HG1 THR A 108 -9.083 9.708 -2.861 1.00 3.22 H new ATOM 0 HG21 THR A 108 -11.544 7.085 -2.899 1.00 35.31 H new ATOM 0 HG22 THR A 108 -10.320 5.858 -3.304 1.00 35.31 H new ATOM 0 HG23 THR A 108 -10.219 6.741 -1.762 1.00 35.31 H new ATOM 1781 N SER A 109 -6.698 8.092 -5.324 1.00 11.51 N ATOM 1782 CA SER A 109 -5.849 8.905 -6.199 1.00 51.51 C ATOM 1783 C SER A 109 -6.159 8.586 -7.660 1.00 42.12 C ATOM 1784 O SER A 109 -6.260 7.421 -8.032 1.00 2.33 O ATOM 1785 CB SER A 109 -4.357 8.651 -5.864 1.00 42.41 C ATOM 1786 OG SER A 109 -4.040 7.272 -5.825 1.00 5.23 O ATOM 0 H SER A 109 -6.789 7.123 -5.629 1.00 11.51 H new ATOM 0 HA SER A 109 -6.054 9.963 -6.035 1.00 51.51 H new ATOM 0 HB2 SER A 109 -3.731 9.144 -6.608 1.00 42.41 H new ATOM 0 HB3 SER A 109 -4.122 9.103 -4.900 1.00 42.41 H new ATOM 0 HG SER A 109 -4.863 6.750 -5.722 1.00 5.23 H new ATOM 1792 N ARG A 110 -6.329 9.639 -8.469 1.00 42.23 N ATOM 1793 CA ARG A 110 -6.609 9.517 -9.913 1.00 24.03 C ATOM 1794 C ARG A 110 -5.322 9.175 -10.681 1.00 23.24 C ATOM 1795 O ARG A 110 -5.364 8.521 -11.732 1.00 14.30 O ATOM 1796 CB ARG A 110 -7.223 10.839 -10.480 1.00 42.53 C ATOM 1797 CG ARG A 110 -8.712 11.125 -10.111 1.00 43.13 C ATOM 1798 CD ARG A 110 -8.948 11.303 -8.592 1.00 73.05 C ATOM 1799 NE ARG A 110 -10.214 11.984 -8.274 1.00 15.13 N ATOM 1800 CZ ARG A 110 -10.317 13.115 -7.549 1.00 41.11 C ATOM 1801 NH1 ARG A 110 -9.236 13.719 -7.059 1.00 1.14 N ATOM 1802 NH2 ARG A 110 -11.511 13.622 -7.300 1.00 73.31 N ATOM 0 H ARG A 110 -6.277 10.604 -8.144 1.00 42.23 H new ATOM 0 HA ARG A 110 -7.332 8.713 -10.046 1.00 24.03 H new ATOM 0 HB2 ARG A 110 -6.617 11.675 -10.130 1.00 42.53 H new ATOM 0 HB3 ARG A 110 -7.138 10.817 -11.566 1.00 42.53 H new ATOM 0 HG2 ARG A 110 -9.040 12.026 -10.630 1.00 43.13 H new ATOM 0 HG3 ARG A 110 -9.332 10.305 -10.473 1.00 43.13 H new ATOM 0 HD2 ARG A 110 -8.940 10.324 -8.113 1.00 73.05 H new ATOM 0 HD3 ARG A 110 -8.121 11.872 -8.167 1.00 73.05 H new ATOM 0 HE ARG A 110 -11.076 11.569 -8.628 1.00 15.13 H new ATOM 0 HH11 ARG A 110 -8.310 13.326 -7.230 1.00 1.14 H new ATOM 0 HH12 ARG A 110 -9.334 14.575 -6.512 1.00 1.14 H new ATOM 0 HH21 ARG A 110 -12.347 13.158 -7.656 1.00 73.31 H new ATOM 0 HH22 ARG A 110 -11.597 14.478 -6.752 1.00 73.31 H new ATOM 1816 N ASN A 111 -4.182 9.617 -10.128 1.00 4.22 N ATOM 1817 CA ASN A 111 -2.902 9.634 -10.842 1.00 55.31 C ATOM 1818 C ASN A 111 -1.714 9.532 -9.869 1.00 43.53 C ATOM 1819 O ASN A 111 -1.900 9.461 -8.644 1.00 22.22 O ATOM 1820 CB ASN A 111 -2.824 10.934 -11.686 1.00 74.53 C ATOM 1821 CG ASN A 111 -2.916 12.226 -10.858 1.00 2.14 C ATOM 1822 OD1 ASN A 111 -3.550 12.275 -9.803 1.00 53.01 O ATOM 1823 ND2 ASN A 111 -2.303 13.289 -11.337 1.00 44.25 N ATOM 0 H ASN A 111 -4.125 9.972 -9.173 1.00 4.22 H new ATOM 0 HA ASN A 111 -2.844 8.766 -11.499 1.00 55.31 H new ATOM 0 HB2 ASN A 111 -1.887 10.938 -12.242 1.00 74.53 H new ATOM 0 HB3 ASN A 111 -3.630 10.927 -12.420 1.00 74.53 H new ATOM 0 HD21 ASN A 111 -2.348 14.174 -10.832 1.00 44.25 H new ATOM 0 HD22 ASN A 111 -1.783 13.227 -12.212 1.00 44.25 H new ATOM 1830 N GLU A 112 -0.499 9.549 -10.450 1.00 14.33 N ATOM 1831 CA GLU A 112 0.777 9.382 -9.731 1.00 51.14 C ATOM 1832 C GLU A 112 1.030 10.533 -8.753 1.00 23.12 C ATOM 1833 O GLU A 112 1.420 10.281 -7.613 1.00 20.21 O ATOM 1834 CB GLU A 112 1.933 9.260 -10.762 1.00 21.10 C ATOM 1835 CG GLU A 112 3.374 9.183 -10.171 1.00 12.51 C ATOM 1836 CD GLU A 112 4.222 10.441 -10.449 1.00 11.15 C ATOM 1837 OE1 GLU A 112 3.922 11.514 -9.884 1.00 71.01 O ATOM 1838 OE2 GLU A 112 5.186 10.370 -11.239 1.00 73.22 O ATOM 0 H GLU A 112 -0.376 9.682 -11.454 1.00 14.33 H new ATOM 0 HA GLU A 112 0.726 8.470 -9.136 1.00 51.14 H new ATOM 0 HB2 GLU A 112 1.762 8.369 -11.366 1.00 21.10 H new ATOM 0 HB3 GLU A 112 1.884 10.116 -11.436 1.00 21.10 H new ATOM 0 HG2 GLU A 112 3.308 9.030 -9.094 1.00 12.51 H new ATOM 0 HG3 GLU A 112 3.882 8.313 -10.586 1.00 12.51 H new ATOM 1845 N ASP A 113 0.795 11.785 -9.220 1.00 31.03 N ATOM 1846 CA ASP A 113 1.003 13.021 -8.417 1.00 5.31 C ATOM 1847 C ASP A 113 0.244 12.951 -7.087 1.00 45.02 C ATOM 1848 O ASP A 113 0.780 13.291 -6.021 1.00 21.41 O ATOM 1849 CB ASP A 113 0.513 14.275 -9.195 1.00 31.12 C ATOM 1850 CG ASP A 113 1.278 14.538 -10.494 1.00 64.01 C ATOM 1851 OD1 ASP A 113 0.931 13.944 -11.530 1.00 44.42 O ATOM 1852 OD2 ASP A 113 2.235 15.344 -10.492 1.00 23.32 O ATOM 0 H ASP A 113 0.456 11.968 -10.164 1.00 31.03 H new ATOM 0 HA ASP A 113 2.073 13.099 -8.223 1.00 5.31 H new ATOM 0 HB2 ASP A 113 -0.546 14.156 -9.426 1.00 31.12 H new ATOM 0 HB3 ASP A 113 0.602 15.149 -8.549 1.00 31.12 H new ATOM 1857 N GLU A 114 -1.012 12.494 -7.190 1.00 13.40 N ATOM 1858 CA GLU A 114 -1.942 12.419 -6.071 1.00 5.53 C ATOM 1859 C GLU A 114 -1.474 11.369 -5.050 1.00 52.15 C ATOM 1860 O GLU A 114 -1.373 11.658 -3.855 1.00 44.51 O ATOM 1861 CB GLU A 114 -3.352 12.101 -6.610 1.00 21.30 C ATOM 1862 CG GLU A 114 -4.497 12.356 -5.620 1.00 33.33 C ATOM 1863 CD GLU A 114 -4.599 13.828 -5.180 1.00 34.24 C ATOM 1864 OE1 GLU A 114 -4.917 14.693 -6.027 1.00 63.25 O ATOM 1865 OE2 GLU A 114 -4.376 14.137 -3.994 1.00 11.53 O ATOM 0 H GLU A 114 -1.409 12.163 -8.069 1.00 13.40 H new ATOM 0 HA GLU A 114 -1.975 13.377 -5.552 1.00 5.53 H new ATOM 0 HB2 GLU A 114 -3.526 12.698 -7.505 1.00 21.30 H new ATOM 0 HB3 GLU A 114 -3.381 11.055 -6.914 1.00 21.30 H new ATOM 0 HG2 GLU A 114 -5.439 12.054 -6.078 1.00 33.33 H new ATOM 0 HG3 GLU A 114 -4.355 11.729 -4.740 1.00 33.33 H new ATOM 1872 N ALA A 115 -1.131 10.173 -5.566 1.00 51.00 N ATOM 1873 CA ALA A 115 -0.679 9.029 -4.751 1.00 24.32 C ATOM 1874 C ALA A 115 0.653 9.319 -4.045 1.00 71.32 C ATOM 1875 O ALA A 115 0.868 8.881 -2.919 1.00 75.03 O ATOM 1876 CB ALA A 115 -0.535 7.794 -5.637 1.00 32.32 C ATOM 0 H ALA A 115 -1.160 9.972 -6.566 1.00 51.00 H new ATOM 0 HA ALA A 115 -1.430 8.851 -3.981 1.00 24.32 H new ATOM 0 HB1 ALA A 115 -0.201 6.950 -5.033 1.00 32.32 H new ATOM 0 HB2 ALA A 115 -1.497 7.557 -6.091 1.00 32.32 H new ATOM 0 HB3 ALA A 115 0.197 7.992 -6.421 1.00 32.32 H new ATOM 1882 N LYS A 116 1.518 10.081 -4.734 1.00 52.22 N ATOM 1883 CA LYS A 116 2.892 10.399 -4.293 1.00 44.10 C ATOM 1884 C LYS A 116 2.900 11.197 -2.972 1.00 24.42 C ATOM 1885 O LYS A 116 3.792 11.016 -2.131 1.00 31.21 O ATOM 1886 CB LYS A 116 3.600 11.168 -5.442 1.00 3.52 C ATOM 1887 CG LYS A 116 5.052 11.620 -5.168 1.00 72.44 C ATOM 1888 CD LYS A 116 5.771 12.092 -6.459 1.00 63.12 C ATOM 1889 CE LYS A 116 6.060 10.930 -7.436 1.00 22.35 C ATOM 1890 NZ LYS A 116 6.697 11.394 -8.702 1.00 3.34 N ATOM 0 H LYS A 116 1.280 10.503 -5.632 1.00 52.22 H new ATOM 0 HA LYS A 116 3.434 9.477 -4.082 1.00 44.10 H new ATOM 0 HB2 LYS A 116 3.600 10.534 -6.329 1.00 3.52 H new ATOM 0 HB3 LYS A 116 3.006 12.050 -5.681 1.00 3.52 H new ATOM 0 HG2 LYS A 116 5.047 12.431 -4.439 1.00 72.44 H new ATOM 0 HG3 LYS A 116 5.610 10.796 -4.724 1.00 72.44 H new ATOM 0 HD2 LYS A 116 5.156 12.839 -6.961 1.00 63.12 H new ATOM 0 HD3 LYS A 116 6.709 12.579 -6.191 1.00 63.12 H new ATOM 0 HE2 LYS A 116 6.712 10.204 -6.950 1.00 22.35 H new ATOM 0 HE3 LYS A 116 5.128 10.415 -7.669 1.00 22.35 H new ATOM 0 HZ1 LYS A 116 7.054 10.573 -9.232 1.00 3.34 H new ATOM 0 HZ2 LYS A 116 5.995 11.900 -9.279 1.00 3.34 H new ATOM 0 HZ3 LYS A 116 7.487 12.033 -8.479 1.00 3.34 H new ATOM 1904 N LYS A 117 1.886 12.057 -2.800 1.00 4.11 N ATOM 1905 CA LYS A 117 1.693 12.844 -1.567 1.00 41.22 C ATOM 1906 C LYS A 117 1.141 11.945 -0.448 1.00 11.24 C ATOM 1907 O LYS A 117 1.701 11.891 0.650 1.00 3.14 O ATOM 1908 CB LYS A 117 0.713 14.008 -1.836 1.00 21.43 C ATOM 1909 CG LYS A 117 1.143 14.956 -2.983 1.00 64.35 C ATOM 1910 CD LYS A 117 0.050 15.994 -3.339 1.00 21.43 C ATOM 1911 CE LYS A 117 -1.260 15.322 -3.791 1.00 41.23 C ATOM 1912 NZ LYS A 117 -2.317 16.303 -4.148 1.00 11.41 N ATOM 0 H LYS A 117 1.175 12.229 -3.510 1.00 4.11 H new ATOM 0 HA LYS A 117 2.654 13.250 -1.253 1.00 41.22 H new ATOM 0 HB2 LYS A 117 -0.267 13.594 -2.072 1.00 21.43 H new ATOM 0 HB3 LYS A 117 0.601 14.591 -0.922 1.00 21.43 H new ATOM 0 HG2 LYS A 117 2.055 15.479 -2.695 1.00 64.35 H new ATOM 0 HG3 LYS A 117 1.380 14.365 -3.868 1.00 64.35 H new ATOM 0 HD2 LYS A 117 -0.147 16.625 -2.472 1.00 21.43 H new ATOM 0 HD3 LYS A 117 0.415 16.647 -4.132 1.00 21.43 H new ATOM 0 HE2 LYS A 117 -1.058 14.684 -4.651 1.00 41.23 H new ATOM 0 HE3 LYS A 117 -1.625 14.675 -2.993 1.00 41.23 H new ATOM 0 HZ1 LYS A 117 -3.247 15.839 -4.114 1.00 11.41 H new ATOM 0 HZ2 LYS A 117 -2.300 17.093 -3.472 1.00 11.41 H new ATOM 0 HZ3 LYS A 117 -2.145 16.665 -5.108 1.00 11.41 H new ATOM 1926 N LYS A 118 0.060 11.204 -0.787 1.00 24.42 N ATOM 1927 CA LYS A 118 -0.721 10.377 0.168 1.00 5.22 C ATOM 1928 C LYS A 118 0.111 9.225 0.748 1.00 23.42 C ATOM 1929 O LYS A 118 -0.134 8.760 1.868 1.00 22.14 O ATOM 1930 CB LYS A 118 -1.982 9.823 -0.548 1.00 0.30 C ATOM 1931 CG LYS A 118 -2.868 10.923 -1.168 1.00 73.32 C ATOM 1932 CD LYS A 118 -3.391 11.941 -0.122 1.00 12.21 C ATOM 1933 CE LYS A 118 -3.984 13.204 -0.758 1.00 3.11 C ATOM 1934 NZ LYS A 118 -5.117 12.899 -1.660 1.00 1.52 N ATOM 0 H LYS A 118 -0.300 11.162 -1.741 1.00 24.42 H new ATOM 0 HA LYS A 118 -1.015 11.011 1.004 1.00 5.22 H new ATOM 0 HB2 LYS A 118 -1.671 9.132 -1.332 1.00 0.30 H new ATOM 0 HB3 LYS A 118 -2.574 9.250 0.166 1.00 0.30 H new ATOM 0 HG2 LYS A 118 -2.298 11.454 -1.930 1.00 73.32 H new ATOM 0 HG3 LYS A 118 -3.716 10.458 -1.670 1.00 73.32 H new ATOM 0 HD2 LYS A 118 -4.150 11.461 0.495 1.00 12.21 H new ATOM 0 HD3 LYS A 118 -2.574 12.224 0.541 1.00 12.21 H new ATOM 0 HE2 LYS A 118 -4.320 13.881 0.028 1.00 3.11 H new ATOM 0 HE3 LYS A 118 -3.207 13.726 -1.317 1.00 3.11 H new ATOM 0 HZ1 LYS A 118 -4.888 13.215 -2.624 1.00 1.52 H new ATOM 0 HZ2 LYS A 118 -5.292 11.874 -1.664 1.00 1.52 H new ATOM 0 HZ3 LYS A 118 -5.969 13.394 -1.327 1.00 1.52 H new ATOM 1948 N LEU A 119 1.090 8.787 -0.048 1.00 22.35 N ATOM 1949 CA LEU A 119 2.021 7.725 0.315 1.00 23.52 C ATOM 1950 C LEU A 119 2.982 8.200 1.404 1.00 15.53 C ATOM 1951 O LEU A 119 3.261 7.468 2.350 1.00 14.24 O ATOM 1952 CB LEU A 119 2.795 7.275 -0.938 1.00 60.33 C ATOM 1953 CG LEU A 119 3.802 6.106 -0.747 1.00 72.42 C ATOM 1954 CD1 LEU A 119 3.120 4.843 -0.193 1.00 24.50 C ATOM 1955 CD2 LEU A 119 4.520 5.820 -2.064 1.00 4.10 C ATOM 0 H LEU A 119 1.258 9.170 -0.978 1.00 22.35 H new ATOM 0 HA LEU A 119 1.462 6.878 0.712 1.00 23.52 H new ATOM 0 HB2 LEU A 119 2.072 6.982 -1.699 1.00 60.33 H new ATOM 0 HB3 LEU A 119 3.339 8.134 -1.330 1.00 60.33 H new ATOM 0 HG LEU A 119 4.539 6.410 -0.004 1.00 72.42 H new ATOM 0 HD11 LEU A 119 3.860 4.052 -0.075 1.00 24.50 H new ATOM 0 HD12 LEU A 119 2.671 5.067 0.775 1.00 24.50 H new ATOM 0 HD13 LEU A 119 2.345 4.515 -0.885 1.00 24.50 H new ATOM 0 HD21 LEU A 119 5.224 5.000 -1.924 1.00 4.10 H new ATOM 0 HD22 LEU A 119 3.789 5.545 -2.824 1.00 4.10 H new ATOM 0 HD23 LEU A 119 5.060 6.711 -2.385 1.00 4.10 H new ATOM 1967 N LYS A 120 3.472 9.440 1.258 1.00 64.24 N ATOM 1968 CA LYS A 120 4.381 10.060 2.240 1.00 52.44 C ATOM 1969 C LYS A 120 3.637 10.439 3.523 1.00 43.33 C ATOM 1970 O LYS A 120 4.232 10.448 4.593 1.00 53.41 O ATOM 1971 CB LYS A 120 5.108 11.270 1.621 1.00 31.45 C ATOM 1972 CG LYS A 120 6.047 10.871 0.469 1.00 34.45 C ATOM 1973 CD LYS A 120 6.822 12.064 -0.112 1.00 62.43 C ATOM 1974 CE LYS A 120 7.785 11.633 -1.219 1.00 5.41 C ATOM 1975 NZ LYS A 120 8.557 12.778 -1.745 1.00 31.12 N ATOM 0 H LYS A 120 3.253 10.040 0.463 1.00 64.24 H new ATOM 0 HA LYS A 120 5.138 9.325 2.515 1.00 52.44 H new ATOM 0 HB2 LYS A 120 4.370 11.983 1.253 1.00 31.45 H new ATOM 0 HB3 LYS A 120 5.684 11.778 2.395 1.00 31.45 H new ATOM 0 HG2 LYS A 120 6.755 10.124 0.827 1.00 34.45 H new ATOM 0 HG3 LYS A 120 5.463 10.403 -0.323 1.00 34.45 H new ATOM 0 HD2 LYS A 120 6.118 12.796 -0.508 1.00 62.43 H new ATOM 0 HD3 LYS A 120 7.381 12.557 0.684 1.00 62.43 H new ATOM 0 HE2 LYS A 120 8.470 10.878 -0.833 1.00 5.41 H new ATOM 0 HE3 LYS A 120 7.224 11.169 -2.030 1.00 5.41 H new ATOM 0 HZ1 LYS A 120 8.716 12.650 -2.765 1.00 31.12 H new ATOM 0 HZ2 LYS A 120 8.026 13.658 -1.585 1.00 31.12 H new ATOM 0 HZ3 LYS A 120 9.473 12.833 -1.256 1.00 31.12 H new ATOM 1989 N GLU A 121 2.339 10.749 3.390 1.00 32.44 N ATOM 1990 CA GLU A 121 1.435 10.935 4.540 1.00 10.14 C ATOM 1991 C GLU A 121 1.309 9.625 5.343 1.00 42.31 C ATOM 1992 O GLU A 121 1.256 9.643 6.572 1.00 41.43 O ATOM 1993 CB GLU A 121 0.054 11.414 4.044 1.00 4.12 C ATOM 1994 CG GLU A 121 0.078 12.815 3.394 1.00 41.42 C ATOM 1995 CD GLU A 121 -1.242 13.218 2.720 1.00 45.44 C ATOM 1996 OE1 GLU A 121 -2.327 12.951 3.296 1.00 51.34 O ATOM 1997 OE2 GLU A 121 -1.204 13.832 1.629 1.00 54.44 O ATOM 0 H GLU A 121 1.885 10.878 2.486 1.00 32.44 H new ATOM 0 HA GLU A 121 1.850 11.695 5.202 1.00 10.14 H new ATOM 0 HB2 GLU A 121 -0.332 10.695 3.322 1.00 4.12 H new ATOM 0 HB3 GLU A 121 -0.640 11.425 4.884 1.00 4.12 H new ATOM 0 HG2 GLU A 121 0.324 13.553 4.157 1.00 41.42 H new ATOM 0 HG3 GLU A 121 0.876 12.846 2.652 1.00 41.42 H new ATOM 2004 N ALA A 122 1.290 8.495 4.616 1.00 12.23 N ATOM 2005 CA ALA A 122 1.282 7.142 5.200 1.00 25.23 C ATOM 2006 C ALA A 122 2.653 6.804 5.827 1.00 54.41 C ATOM 2007 O ALA A 122 2.721 6.094 6.841 1.00 45.05 O ATOM 2008 CB ALA A 122 0.909 6.117 4.124 1.00 5.04 C ATOM 0 H ALA A 122 1.280 8.495 3.596 1.00 12.23 H new ATOM 0 HA ALA A 122 0.537 7.107 5.995 1.00 25.23 H new ATOM 0 HB1 ALA A 122 0.904 5.118 4.559 1.00 5.04 H new ATOM 0 HB2 ALA A 122 -0.081 6.346 3.731 1.00 5.04 H new ATOM 0 HB3 ALA A 122 1.639 6.157 3.315 1.00 5.04 H new ATOM 2014 N LEU A 123 3.739 7.324 5.205 1.00 43.10 N ATOM 2015 CA LEU A 123 5.119 7.156 5.707 1.00 14.50 C ATOM 2016 C LEU A 123 5.313 7.917 7.034 1.00 41.25 C ATOM 2017 O LEU A 123 5.995 7.429 7.937 1.00 75.44 O ATOM 2018 CB LEU A 123 6.163 7.609 4.648 1.00 5.12 C ATOM 2019 CG LEU A 123 6.247 6.742 3.350 1.00 64.31 C ATOM 2020 CD1 LEU A 123 7.253 7.340 2.345 1.00 2.30 C ATOM 2021 CD2 LEU A 123 6.587 5.270 3.674 1.00 41.14 C ATOM 0 H LEU A 123 3.680 7.869 4.345 1.00 43.10 H new ATOM 0 HA LEU A 123 5.280 6.095 5.896 1.00 14.50 H new ATOM 0 HB2 LEU A 123 5.937 8.636 4.361 1.00 5.12 H new ATOM 0 HB3 LEU A 123 7.146 7.619 5.118 1.00 5.12 H new ATOM 0 HG LEU A 123 5.262 6.755 2.883 1.00 64.31 H new ATOM 0 HD11 LEU A 123 7.290 6.716 1.452 1.00 2.30 H new ATOM 0 HD12 LEU A 123 6.938 8.347 2.071 1.00 2.30 H new ATOM 0 HD13 LEU A 123 8.242 7.380 2.801 1.00 2.30 H new ATOM 0 HD21 LEU A 123 6.637 4.696 2.749 1.00 41.14 H new ATOM 0 HD22 LEU A 123 7.549 5.223 4.183 1.00 41.14 H new ATOM 0 HD23 LEU A 123 5.814 4.852 4.319 1.00 41.14 H new ATOM 2033 N GLU A 124 4.679 9.098 7.143 1.00 24.22 N ATOM 2034 CA GLU A 124 4.700 9.911 8.375 1.00 32.43 C ATOM 2035 C GLU A 124 4.086 9.130 9.553 1.00 11.11 C ATOM 2036 O GLU A 124 4.641 9.117 10.660 1.00 33.40 O ATOM 2037 CB GLU A 124 3.945 11.252 8.159 1.00 53.13 C ATOM 2038 CG GLU A 124 4.619 12.231 7.174 1.00 42.11 C ATOM 2039 CD GLU A 124 3.822 13.534 6.975 1.00 33.00 C ATOM 2040 OE1 GLU A 124 2.648 13.459 6.553 1.00 54.43 O ATOM 2041 OE2 GLU A 124 4.359 14.638 7.229 1.00 11.44 O ATOM 0 H GLU A 124 4.140 9.515 6.384 1.00 24.22 H new ATOM 0 HA GLU A 124 5.739 10.136 8.617 1.00 32.43 H new ATOM 0 HB2 GLU A 124 2.940 11.032 7.798 1.00 53.13 H new ATOM 0 HB3 GLU A 124 3.835 11.749 9.123 1.00 53.13 H new ATOM 0 HG2 GLU A 124 5.617 12.475 7.539 1.00 42.11 H new ATOM 0 HG3 GLU A 124 4.744 11.738 6.210 1.00 42.11 H new ATOM 2048 N LYS A 125 2.960 8.444 9.271 1.00 20.53 N ATOM 2049 CA LYS A 125 2.218 7.643 10.265 1.00 44.15 C ATOM 2050 C LYS A 125 3.000 6.383 10.675 1.00 35.43 C ATOM 2051 O LYS A 125 2.796 5.850 11.765 1.00 62.43 O ATOM 2052 CB LYS A 125 0.829 7.237 9.698 1.00 11.44 C ATOM 2053 CG LYS A 125 -0.037 8.428 9.248 1.00 24.03 C ATOM 2054 CD LYS A 125 -1.405 7.993 8.682 1.00 10.25 C ATOM 2055 CE LYS A 125 -2.159 9.154 8.013 1.00 54.03 C ATOM 2056 NZ LYS A 125 -2.324 10.336 8.904 1.00 54.21 N ATOM 0 H LYS A 125 2.538 8.430 8.343 1.00 20.53 H new ATOM 0 HA LYS A 125 2.083 8.261 11.152 1.00 44.15 H new ATOM 0 HB2 LYS A 125 0.976 6.567 8.851 1.00 11.44 H new ATOM 0 HB3 LYS A 125 0.288 6.675 10.459 1.00 11.44 H new ATOM 0 HG2 LYS A 125 -0.195 9.097 10.094 1.00 24.03 H new ATOM 0 HG3 LYS A 125 0.501 8.996 8.489 1.00 24.03 H new ATOM 0 HD2 LYS A 125 -1.257 7.193 7.956 1.00 10.25 H new ATOM 0 HD3 LYS A 125 -2.015 7.584 9.487 1.00 10.25 H new ATOM 0 HE2 LYS A 125 -1.623 9.457 7.114 1.00 54.03 H new ATOM 0 HE3 LYS A 125 -3.142 8.806 7.696 1.00 54.03 H new ATOM 0 HZ1 LYS A 125 -2.911 11.050 8.428 1.00 54.21 H new ATOM 0 HZ2 LYS A 125 -2.785 10.042 9.789 1.00 54.21 H new ATOM 0 HZ3 LYS A 125 -1.391 10.742 9.118 1.00 54.21 H new ATOM 2070 N SER A 126 3.887 5.910 9.783 1.00 34.24 N ATOM 2071 CA SER A 126 4.699 4.707 10.013 1.00 72.15 C ATOM 2072 C SER A 126 6.075 5.040 10.616 1.00 54.21 C ATOM 2073 O SER A 126 6.894 4.138 10.830 1.00 4.44 O ATOM 2074 CB SER A 126 4.842 3.939 8.691 1.00 12.30 C ATOM 2075 OG SER A 126 5.416 4.716 7.668 1.00 22.21 O ATOM 0 H SER A 126 4.060 6.353 8.881 1.00 34.24 H new ATOM 0 HA SER A 126 4.190 4.081 10.746 1.00 72.15 H new ATOM 0 HB2 SER A 126 5.455 3.053 8.855 1.00 12.30 H new ATOM 0 HB3 SER A 126 3.860 3.592 8.370 1.00 12.30 H new ATOM 0 HG SER A 126 5.661 5.596 8.024 1.00 22.21 H new ATOM 2081 N GLY A 127 6.321 6.336 10.888 1.00 13.13 N ATOM 2082 CA GLY A 127 7.548 6.782 11.548 1.00 42.30 C ATOM 2083 C GLY A 127 8.598 7.305 10.584 1.00 64.12 C ATOM 2084 O GLY A 127 9.533 7.986 11.017 1.00 65.51 O ATOM 0 H GLY A 127 5.677 7.092 10.656 1.00 13.13 H new ATOM 0 HA2 GLY A 127 7.302 7.565 12.265 1.00 42.30 H new ATOM 0 HA3 GLY A 127 7.968 5.952 12.115 1.00 42.30 H new ATOM 2088 N SER A 128 8.466 6.978 9.282 1.00 61.20 N ATOM 2089 CA SER A 128 9.367 7.475 8.240 1.00 61.13 C ATOM 2090 C SER A 128 9.173 8.994 8.071 1.00 21.42 C ATOM 2091 O SER A 128 8.205 9.449 7.453 1.00 44.43 O ATOM 2092 CB SER A 128 9.111 6.717 6.919 1.00 24.54 C ATOM 2093 OG SER A 128 9.369 5.329 7.068 1.00 3.41 O ATOM 0 H SER A 128 7.732 6.363 8.931 1.00 61.20 H new ATOM 0 HA SER A 128 10.403 7.297 8.530 1.00 61.13 H new ATOM 0 HB2 SER A 128 8.078 6.866 6.605 1.00 24.54 H new ATOM 0 HB3 SER A 128 9.746 7.126 6.133 1.00 24.54 H new ATOM 0 HG SER A 128 10.330 5.187 7.196 1.00 3.41 H new ATOM 2099 N LEU A 129 10.079 9.765 8.686 1.00 21.22 N ATOM 2100 CA LEU A 129 10.002 11.229 8.754 1.00 24.11 C ATOM 2101 C LEU A 129 11.291 11.862 8.218 1.00 72.00 C ATOM 2102 O LEU A 129 12.315 11.884 8.909 1.00 24.31 O ATOM 2103 CB LEU A 129 9.727 11.679 10.222 1.00 2.11 C ATOM 2104 CG LEU A 129 8.302 11.363 10.775 1.00 2.24 C ATOM 2105 CD1 LEU A 129 8.186 11.686 12.278 1.00 63.21 C ATOM 2106 CD2 LEU A 129 7.225 12.112 9.965 1.00 5.42 C ATOM 0 H LEU A 129 10.899 9.383 9.157 1.00 21.22 H new ATOM 0 HA LEU A 129 9.178 11.569 8.127 1.00 24.11 H new ATOM 0 HB2 LEU A 129 10.462 11.203 10.871 1.00 2.11 H new ATOM 0 HB3 LEU A 129 9.892 12.754 10.289 1.00 2.11 H new ATOM 0 HG LEU A 129 8.136 10.292 10.661 1.00 2.24 H new ATOM 0 HD11 LEU A 129 7.179 11.452 12.624 1.00 63.21 H new ATOM 0 HD12 LEU A 129 8.909 11.090 12.835 1.00 63.21 H new ATOM 0 HD13 LEU A 129 8.388 12.745 12.439 1.00 63.21 H new ATOM 0 HD21 LEU A 129 6.239 11.878 10.367 1.00 5.42 H new ATOM 0 HD22 LEU A 129 7.399 13.186 10.034 1.00 5.42 H new ATOM 0 HD23 LEU A 129 7.274 11.803 8.921 1.00 5.42 H new ATOM 2118 N GLU A 130 11.241 12.321 6.956 1.00 44.23 N ATOM 2119 CA GLU A 130 12.291 13.161 6.363 1.00 12.00 C ATOM 2120 C GLU A 130 11.846 14.630 6.416 1.00 34.10 C ATOM 2121 O GLU A 130 12.369 15.419 7.210 1.00 1.13 O ATOM 2122 CB GLU A 130 12.594 12.744 4.899 1.00 20.21 C ATOM 2123 CG GLU A 130 13.629 13.653 4.185 1.00 14.33 C ATOM 2124 CD GLU A 130 13.770 13.398 2.681 1.00 44.10 C ATOM 2125 OE1 GLU A 130 12.743 13.158 2.013 1.00 32.54 O ATOM 2126 OE2 GLU A 130 14.902 13.467 2.147 1.00 60.15 O ATOM 0 H GLU A 130 10.470 12.119 6.319 1.00 44.23 H new ATOM 0 HA GLU A 130 13.209 13.029 6.936 1.00 12.00 H new ATOM 0 HB2 GLU A 130 12.962 11.718 4.893 1.00 20.21 H new ATOM 0 HB3 GLU A 130 11.664 12.753 4.330 1.00 20.21 H new ATOM 0 HG2 GLU A 130 13.346 14.694 4.339 1.00 14.33 H new ATOM 0 HG3 GLU A 130 14.602 13.514 4.657 1.00 14.33 H new ATOM 2133 N HIS A 131 10.863 14.982 5.567 1.00 30.40 N ATOM 2134 CA HIS A 131 10.407 16.369 5.421 1.00 74.34 C ATOM 2135 C HIS A 131 9.277 16.646 6.420 1.00 41.12 C ATOM 2136 O HIS A 131 8.208 16.030 6.340 1.00 64.30 O ATOM 2137 CB HIS A 131 9.942 16.647 3.961 1.00 3.32 C ATOM 2138 CG HIS A 131 9.848 18.119 3.634 1.00 54.53 C ATOM 2139 ND1 HIS A 131 10.918 18.796 3.094 1.00 25.53 N ATOM 2140 CD2 HIS A 131 8.839 19.001 3.849 1.00 44.11 C ATOM 2141 CE1 HIS A 131 10.546 20.054 3.001 1.00 23.45 C ATOM 2142 NE2 HIS A 131 9.301 20.224 3.447 1.00 54.54 N ATOM 0 H HIS A 131 10.369 14.318 4.970 1.00 30.40 H new ATOM 0 HA HIS A 131 11.238 17.041 5.635 1.00 74.34 H new ATOM 0 HB2 HIS A 131 10.637 16.172 3.269 1.00 3.32 H new ATOM 0 HB3 HIS A 131 8.968 16.184 3.803 1.00 3.32 H new ATOM 0 HD1 HIS A 131 11.818 18.401 2.821 1.00 25.53 H new ATOM 0 HD2 HIS A 131 7.864 18.781 4.257 1.00 44.11 H new ATOM 0 HE1 HIS A 131 11.168 20.847 2.613 1.00 23.45 H new ATOM 2150 N HIS A 132 9.536 17.556 7.370 1.00 4.23 N ATOM 2151 CA HIS A 132 8.558 17.987 8.380 1.00 61.12 C ATOM 2152 C HIS A 132 8.179 19.459 8.128 1.00 14.23 C ATOM 2153 O HIS A 132 8.856 20.374 8.603 1.00 11.01 O ATOM 2154 CB HIS A 132 9.133 17.774 9.811 1.00 30.41 C ATOM 2155 CG HIS A 132 8.267 18.323 10.924 1.00 1.31 C ATOM 2156 ND1 HIS A 132 7.039 17.777 11.219 1.00 44.02 N ATOM 2157 CD2 HIS A 132 8.483 19.383 11.749 1.00 74.35 C ATOM 2158 CE1 HIS A 132 6.544 18.509 12.204 1.00 63.30 C ATOM 2159 NE2 HIS A 132 7.382 19.488 12.554 1.00 10.33 N ATOM 0 H HIS A 132 10.441 18.019 7.460 1.00 4.23 H new ATOM 0 HA HIS A 132 7.653 17.384 8.301 1.00 61.12 H new ATOM 0 HB2 HIS A 132 9.279 16.706 9.975 1.00 30.41 H new ATOM 0 HB3 HIS A 132 10.115 18.243 9.867 1.00 30.41 H new ATOM 0 HD2 HIS A 132 9.356 20.019 11.765 1.00 74.35 H new ATOM 0 HE1 HIS A 132 5.583 18.336 12.666 1.00 63.30 H new ATOM 0 HE2 HIS A 132 7.230 20.183 13.284 1.00 10.33 H new ATOM 2167 N HIS A 133 7.132 19.661 7.307 1.00 3.40 N ATOM 2168 CA HIS A 133 6.540 20.985 7.021 1.00 21.24 C ATOM 2169 C HIS A 133 5.039 20.824 6.700 1.00 3.02 C ATOM 2170 O HIS A 133 4.663 20.510 5.562 1.00 63.44 O ATOM 2171 CB HIS A 133 7.269 21.722 5.848 1.00 70.51 C ATOM 2172 CG HIS A 133 8.610 22.306 6.217 1.00 75.41 C ATOM 2173 ND1 HIS A 133 9.802 21.623 6.074 1.00 24.10 N ATOM 2174 CD2 HIS A 133 8.940 23.510 6.744 1.00 63.01 C ATOM 2175 CE1 HIS A 133 10.793 22.381 6.495 1.00 44.34 C ATOM 2176 NE2 HIS A 133 10.298 23.528 6.902 1.00 33.31 N ATOM 0 H HIS A 133 6.665 18.899 6.815 1.00 3.40 H new ATOM 0 HA HIS A 133 6.664 21.602 7.911 1.00 21.24 H new ATOM 0 HB2 HIS A 133 7.406 21.022 5.024 1.00 70.51 H new ATOM 0 HB3 HIS A 133 6.626 22.523 5.482 1.00 70.51 H new ATOM 0 HD1 HIS A 133 9.899 20.679 5.701 1.00 24.10 H new ATOM 0 HD2 HIS A 133 8.256 24.308 6.993 1.00 63.01 H new ATOM 0 HE1 HIS A 133 11.837 22.106 6.504 1.00 44.34 H new ATOM 2185 N HIS A 134 4.197 20.991 7.735 1.00 4.22 N ATOM 2186 CA HIS A 134 2.735 21.091 7.593 1.00 44.44 C ATOM 2187 C HIS A 134 2.401 22.464 6.979 1.00 3.32 C ATOM 2188 O HIS A 134 2.654 23.496 7.612 1.00 14.14 O ATOM 2189 CB HIS A 134 2.052 20.925 8.979 1.00 31.51 C ATOM 2190 CG HIS A 134 0.544 21.041 8.969 1.00 63.10 C ATOM 2191 ND1 HIS A 134 -0.121 22.223 9.210 1.00 63.24 N ATOM 2192 CD2 HIS A 134 -0.425 20.113 8.762 1.00 33.22 C ATOM 2193 CE1 HIS A 134 -1.420 22.014 9.153 1.00 72.35 C ATOM 2194 NE2 HIS A 134 -1.632 20.747 8.883 1.00 25.32 N ATOM 0 H HIS A 134 4.516 21.061 8.701 1.00 4.22 H new ATOM 0 HA HIS A 134 2.363 20.300 6.942 1.00 44.44 H new ATOM 0 HB2 HIS A 134 2.323 19.951 9.386 1.00 31.51 H new ATOM 0 HB3 HIS A 134 2.454 21.677 9.657 1.00 31.51 H new ATOM 0 HD2 HIS A 134 -0.272 19.067 8.542 1.00 33.22 H new ATOM 0 HE1 HIS A 134 -2.185 22.762 9.304 1.00 72.35 H new ATOM 0 HE2 HIS A 134 -2.546 20.307 8.780 1.00 25.32 H new ATOM 2203 N HIS A 135 1.857 22.468 5.749 1.00 30.41 N ATOM 2204 CA HIS A 135 1.643 23.707 4.967 1.00 54.13 C ATOM 2205 C HIS A 135 0.363 24.445 5.423 1.00 70.12 C ATOM 2206 O HIS A 135 -0.669 24.410 4.741 1.00 5.21 O ATOM 2207 CB HIS A 135 1.606 23.393 3.443 1.00 65.31 C ATOM 2208 CG HIS A 135 1.556 24.620 2.556 1.00 61.14 C ATOM 2209 ND1 HIS A 135 0.640 24.786 1.540 1.00 0.22 N ATOM 2210 CD2 HIS A 135 2.329 25.732 2.535 1.00 12.42 C ATOM 2211 CE1 HIS A 135 0.850 25.937 0.936 1.00 44.52 C ATOM 2212 NE2 HIS A 135 1.868 26.528 1.523 1.00 73.34 N ATOM 0 H HIS A 135 1.554 21.621 5.268 1.00 30.41 H new ATOM 0 HA HIS A 135 2.484 24.375 5.153 1.00 54.13 H new ATOM 0 HB2 HIS A 135 2.487 22.807 3.183 1.00 65.31 H new ATOM 0 HB3 HIS A 135 0.736 22.771 3.233 1.00 65.31 H new ATOM 0 HD2 HIS A 135 3.156 25.950 3.195 1.00 12.42 H new ATOM 0 HE1 HIS A 135 0.284 26.328 0.103 1.00 44.52 H new ATOM 0 HE2 HIS A 135 2.253 27.437 1.264 1.00 73.34 H new ATOM 2221 N HIS A 136 0.460 25.079 6.599 1.00 54.43 N ATOM 2222 CA HIS A 136 -0.590 25.917 7.191 1.00 32.34 C ATOM 2223 C HIS A 136 -0.021 26.535 8.488 1.00 74.32 C ATOM 2224 O HIS A 136 0.284 27.738 8.510 1.00 42.40 O ATOM 2225 CB HIS A 136 -1.891 25.109 7.486 1.00 61.03 C ATOM 2226 CG HIS A 136 -3.069 25.947 7.927 1.00 74.33 C ATOM 2227 ND1 HIS A 136 -4.052 26.378 7.059 1.00 22.52 N ATOM 2228 CD2 HIS A 136 -3.427 26.413 9.148 1.00 74.15 C ATOM 2229 CE1 HIS A 136 -4.952 27.071 7.726 1.00 62.42 C ATOM 2230 NE2 HIS A 136 -4.595 27.109 8.994 1.00 65.44 N ATOM 2231 OXT HIS A 136 0.160 25.786 9.467 1.00 38.29 O ATOM 0 H HIS A 136 1.296 25.021 7.181 1.00 54.43 H new ATOM 0 HA HIS A 136 -0.872 26.697 6.483 1.00 32.34 H new ATOM 0 HB2 HIS A 136 -2.171 24.557 6.589 1.00 61.03 H new ATOM 0 HB3 HIS A 136 -1.677 24.372 8.260 1.00 61.03 H new ATOM 0 HD2 HIS A 136 -2.889 26.263 10.073 1.00 74.15 H new ATOM 0 HE1 HIS A 136 -5.834 27.531 7.305 1.00 62.42 H new ATOM 0 HE2 HIS A 136 -5.106 27.581 9.740 1.00 65.44 H new TER 2240 HIS A 136