USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 969 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 9 SER OG : rot -168:sc= 0.371 USER MOD Set 1.2: A 14 THR OG1 : rot -11:sc= 0.796 USER MOD Set 1.3: A 85 GLN : amide:sc= 0.444 K(o=1.6,f=-4.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.791 (180deg=0.706) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -3.76! (180deg=-4.69!) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0567 (180deg=-0.31) USER MOD Single : A 25 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.87) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00484) USER MOD Single : A 31 THR OG1 : rot 41:sc= 0.783 USER MOD Single : A 34 SER OG : rot -44:sc= -0.993 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= 0.405 (180deg=-1.01!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.57 K(o=-0.57,f=-3.1!) USER MOD Single : A 94 SER OG : rot 110:sc= -0.671 USER MOD Single : A 106 THR OG1 : rot 36:sc= 0.262 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 5:sc= 0.477 USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0.33 (180deg=0.22) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 71:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 3.055 3.402 5.910 1.00 62.42 N ATOM 35 CA ILE A 3 1.963 3.512 4.938 1.00 33.51 C ATOM 36 C ILE A 3 1.962 2.298 3.991 1.00 70.12 C ATOM 37 O ILE A 3 2.991 1.956 3.402 1.00 12.23 O ATOM 38 CB ILE A 3 2.062 4.837 4.131 1.00 44.11 C ATOM 39 CG1 ILE A 3 0.973 4.907 3.044 1.00 63.12 C ATOM 40 CG2 ILE A 3 3.453 5.002 3.521 1.00 43.41 C ATOM 41 CD1 ILE A 3 0.952 6.221 2.287 1.00 75.32 C ATOM 0 HA ILE A 3 1.022 3.525 5.487 1.00 33.51 H new ATOM 0 HB ILE A 3 1.897 5.663 4.823 1.00 44.11 H new ATOM 0 HG12 ILE A 3 1.126 4.092 2.336 1.00 63.12 H new ATOM 0 HG13 ILE A 3 -0.001 4.749 3.507 1.00 63.12 H new ATOM 0 HG21 ILE A 3 3.496 5.936 2.962 1.00 43.41 H new ATOM 0 HG22 ILE A 3 4.199 5.020 4.316 1.00 43.41 H new ATOM 0 HG23 ILE A 3 3.657 4.168 2.850 1.00 43.41 H new ATOM 0 HD11 ILE A 3 0.160 6.197 1.538 1.00 75.32 H new ATOM 0 HD12 ILE A 3 0.768 7.039 2.983 1.00 75.32 H new ATOM 0 HD13 ILE A 3 1.912 6.372 1.794 1.00 75.32 H new ATOM 53 N VAL A 4 0.810 1.639 3.867 1.00 4.40 N ATOM 54 CA VAL A 4 0.697 0.397 3.092 1.00 64.32 C ATOM 55 C VAL A 4 0.198 0.655 1.662 1.00 21.54 C ATOM 56 O VAL A 4 -0.938 1.072 1.461 1.00 54.43 O ATOM 57 CB VAL A 4 -0.268 -0.601 3.784 1.00 41.21 C ATOM 58 CG1 VAL A 4 -0.315 -1.933 3.034 1.00 50.30 C ATOM 59 CG2 VAL A 4 0.122 -0.809 5.248 1.00 1.21 C ATOM 0 H VAL A 4 -0.064 1.944 4.295 1.00 4.40 H new ATOM 0 HA VAL A 4 1.699 -0.030 3.042 1.00 64.32 H new ATOM 0 HB VAL A 4 -1.269 -0.171 3.759 1.00 41.21 H new ATOM 0 HG11 VAL A 4 -0.999 -2.613 3.542 1.00 50.30 H new ATOM 0 HG12 VAL A 4 -0.661 -1.764 2.014 1.00 50.30 H new ATOM 0 HG13 VAL A 4 0.682 -2.373 3.010 1.00 50.30 H new ATOM 0 HG21 VAL A 4 -0.569 -1.513 5.712 1.00 1.21 H new ATOM 0 HG22 VAL A 4 1.135 -1.207 5.302 1.00 1.21 H new ATOM 0 HG23 VAL A 4 0.078 0.144 5.775 1.00 1.21 H new ATOM 69 N ILE A 5 1.048 0.395 0.670 1.00 2.40 N ATOM 70 CA ILE A 5 0.667 0.545 -0.742 1.00 14.20 C ATOM 71 C ILE A 5 0.388 -0.825 -1.388 1.00 13.02 C ATOM 72 O ILE A 5 1.308 -1.597 -1.652 1.00 4.23 O ATOM 73 CB ILE A 5 1.771 1.278 -1.551 1.00 33.03 C ATOM 74 CG1 ILE A 5 2.082 2.649 -0.922 1.00 1.01 C ATOM 75 CG2 ILE A 5 1.353 1.436 -3.015 1.00 52.10 C ATOM 76 CD1 ILE A 5 3.209 3.395 -1.612 1.00 31.02 C ATOM 0 H ILE A 5 2.007 0.079 0.814 1.00 2.40 H new ATOM 0 HA ILE A 5 -0.243 1.144 -0.765 1.00 14.20 H new ATOM 0 HB ILE A 5 2.678 0.674 -1.520 1.00 33.03 H new ATOM 0 HG12 ILE A 5 1.182 3.263 -0.948 1.00 1.01 H new ATOM 0 HG13 ILE A 5 2.341 2.507 0.127 1.00 1.01 H new ATOM 0 HG21 ILE A 5 2.140 1.952 -3.565 1.00 52.10 H new ATOM 0 HG22 ILE A 5 1.189 0.452 -3.455 1.00 52.10 H new ATOM 0 HG23 ILE A 5 0.432 2.016 -3.070 1.00 52.10 H new ATOM 0 HD11 ILE A 5 3.371 4.351 -1.114 1.00 31.02 H new ATOM 0 HD12 ILE A 5 4.122 2.801 -1.563 1.00 31.02 H new ATOM 0 HD13 ILE A 5 2.945 3.569 -2.655 1.00 31.02 H new ATOM 88 N VAL A 6 -0.887 -1.125 -1.631 1.00 2.45 N ATOM 89 CA VAL A 6 -1.287 -2.404 -2.234 1.00 71.43 C ATOM 90 C VAL A 6 -1.327 -2.312 -3.771 1.00 53.21 C ATOM 91 O VAL A 6 -2.144 -1.588 -4.343 1.00 33.14 O ATOM 92 CB VAL A 6 -2.676 -2.863 -1.715 1.00 71.15 C ATOM 93 CG1 VAL A 6 -3.023 -4.255 -2.246 1.00 30.43 C ATOM 94 CG2 VAL A 6 -2.723 -2.833 -0.187 1.00 32.41 C ATOM 0 H VAL A 6 -1.666 -0.501 -1.420 1.00 2.45 H new ATOM 0 HA VAL A 6 -0.536 -3.138 -1.941 1.00 71.43 H new ATOM 0 HB VAL A 6 -3.425 -2.164 -2.088 1.00 71.15 H new ATOM 0 HG11 VAL A 6 -4.001 -4.555 -1.869 1.00 30.43 H new ATOM 0 HG12 VAL A 6 -3.045 -4.234 -3.336 1.00 30.43 H new ATOM 0 HG13 VAL A 6 -2.271 -4.970 -1.913 1.00 30.43 H new ATOM 0 HG21 VAL A 6 -3.706 -3.159 0.153 1.00 32.41 H new ATOM 0 HG22 VAL A 6 -1.961 -3.501 0.214 1.00 32.41 H new ATOM 0 HG23 VAL A 6 -2.536 -1.818 0.163 1.00 32.41 H new ATOM 104 N VAL A 7 -0.444 -3.054 -4.436 1.00 0.14 N ATOM 105 CA VAL A 7 -0.354 -3.029 -5.900 1.00 4.31 C ATOM 106 C VAL A 7 -0.896 -4.328 -6.521 1.00 14.32 C ATOM 107 O VAL A 7 -0.353 -5.410 -6.292 1.00 11.31 O ATOM 108 CB VAL A 7 1.112 -2.819 -6.364 1.00 12.51 C ATOM 109 CG1 VAL A 7 1.210 -2.752 -7.888 1.00 54.12 C ATOM 110 CG2 VAL A 7 1.707 -1.564 -5.727 1.00 71.33 C ATOM 0 H VAL A 7 0.222 -3.682 -3.986 1.00 0.14 H new ATOM 0 HA VAL A 7 -0.965 -2.193 -6.240 1.00 4.31 H new ATOM 0 HB VAL A 7 1.692 -3.680 -6.032 1.00 12.51 H new ATOM 0 HG11 VAL A 7 2.250 -2.604 -8.180 1.00 54.12 H new ATOM 0 HG12 VAL A 7 0.841 -3.683 -8.318 1.00 54.12 H new ATOM 0 HG13 VAL A 7 0.609 -1.920 -8.255 1.00 54.12 H new ATOM 0 HG21 VAL A 7 2.735 -1.436 -6.066 1.00 71.33 H new ATOM 0 HG22 VAL A 7 1.118 -0.694 -6.018 1.00 71.33 H new ATOM 0 HG23 VAL A 7 1.693 -1.665 -4.642 1.00 71.33 H new ATOM 120 N PHE A 8 -1.971 -4.214 -7.307 1.00 1.22 N ATOM 121 CA PHE A 8 -2.555 -5.373 -8.004 1.00 44.33 C ATOM 122 C PHE A 8 -1.914 -5.601 -9.386 1.00 51.45 C ATOM 123 O PHE A 8 -2.295 -6.521 -10.115 1.00 21.50 O ATOM 124 CB PHE A 8 -4.070 -5.189 -8.160 1.00 12.45 C ATOM 125 CG PHE A 8 -4.838 -5.285 -6.863 1.00 54.12 C ATOM 126 CD1 PHE A 8 -4.828 -4.242 -5.948 1.00 3.22 C ATOM 127 CD2 PHE A 8 -5.575 -6.424 -6.561 1.00 34.12 C ATOM 128 CE1 PHE A 8 -5.534 -4.332 -4.764 1.00 43.33 C ATOM 129 CE2 PHE A 8 -6.282 -6.517 -5.378 1.00 44.53 C ATOM 130 CZ PHE A 8 -6.262 -5.469 -4.479 1.00 64.04 C ATOM 0 H PHE A 8 -2.457 -3.334 -7.479 1.00 1.22 H new ATOM 0 HA PHE A 8 -2.352 -6.253 -7.394 1.00 44.33 H new ATOM 0 HB2 PHE A 8 -4.263 -4.217 -8.613 1.00 12.45 H new ATOM 0 HB3 PHE A 8 -4.448 -5.943 -8.851 1.00 12.45 H new ATOM 0 HD1 PHE A 8 -4.261 -3.349 -6.164 1.00 3.22 H new ATOM 0 HD2 PHE A 8 -5.595 -7.247 -7.260 1.00 34.12 H new ATOM 0 HE1 PHE A 8 -5.516 -3.512 -4.061 1.00 43.33 H new ATOM 0 HE2 PHE A 8 -6.850 -7.409 -5.156 1.00 44.53 H new ATOM 0 HZ PHE A 8 -6.815 -5.539 -3.554 1.00 64.04 H new ATOM 140 N SER A 9 -0.952 -4.757 -9.750 1.00 51.12 N ATOM 141 CA SER A 9 -0.237 -4.912 -11.028 1.00 14.34 C ATOM 142 C SER A 9 0.985 -5.821 -10.866 1.00 52.20 C ATOM 143 O SER A 9 1.978 -5.443 -10.240 1.00 65.33 O ATOM 144 CB SER A 9 0.205 -3.551 -11.585 1.00 42.10 C ATOM 145 OG SER A 9 0.756 -3.691 -12.887 1.00 51.30 O ATOM 0 H SER A 9 -0.646 -3.963 -9.188 1.00 51.12 H new ATOM 0 HA SER A 9 -0.930 -5.371 -11.733 1.00 14.34 H new ATOM 0 HB2 SER A 9 -0.648 -2.873 -11.618 1.00 42.10 H new ATOM 0 HB3 SER A 9 0.943 -3.104 -10.919 1.00 42.10 H new ATOM 0 HG SER A 9 1.206 -2.859 -13.143 1.00 51.30 H new ATOM 151 N THR A 10 0.902 -7.025 -11.428 1.00 3.40 N ATOM 152 CA THR A 10 1.989 -8.012 -11.352 1.00 23.32 C ATOM 153 C THR A 10 3.145 -7.676 -12.306 1.00 63.53 C ATOM 154 O THR A 10 4.197 -8.324 -12.277 1.00 40.51 O ATOM 155 CB THR A 10 1.476 -9.435 -11.681 1.00 63.32 C ATOM 156 OG1 THR A 10 0.921 -9.466 -13.008 1.00 2.31 O ATOM 157 CG2 THR A 10 0.418 -9.886 -10.677 1.00 62.40 C ATOM 0 H THR A 10 0.086 -7.348 -11.948 1.00 3.40 H new ATOM 0 HA THR A 10 2.357 -7.978 -10.327 1.00 23.32 H new ATOM 0 HB THR A 10 2.323 -10.118 -11.622 1.00 63.32 H new ATOM 0 HG1 THR A 10 0.601 -10.370 -13.208 1.00 2.31 H new ATOM 0 HG21 THR A 10 0.077 -10.889 -10.934 1.00 62.40 H new ATOM 0 HG22 THR A 10 0.847 -9.894 -9.675 1.00 62.40 H new ATOM 0 HG23 THR A 10 -0.426 -9.197 -10.704 1.00 62.40 H new ATOM 165 N ASP A 11 2.949 -6.670 -13.156 1.00 30.41 N ATOM 166 CA ASP A 11 3.983 -6.244 -14.100 1.00 43.41 C ATOM 167 C ASP A 11 5.001 -5.303 -13.429 1.00 41.33 C ATOM 168 O ASP A 11 4.648 -4.231 -12.926 1.00 10.33 O ATOM 169 CB ASP A 11 3.336 -5.578 -15.316 1.00 24.34 C ATOM 170 CG ASP A 11 2.423 -6.538 -16.060 1.00 64.42 C ATOM 171 OD1 ASP A 11 2.931 -7.353 -16.862 1.00 4.43 O ATOM 172 OD2 ASP A 11 1.196 -6.496 -15.837 1.00 21.32 O ATOM 0 H ASP A 11 2.083 -6.134 -13.211 1.00 30.41 H new ATOM 0 HA ASP A 11 4.530 -7.126 -14.434 1.00 43.41 H new ATOM 0 HB2 ASP A 11 2.765 -4.708 -14.994 1.00 24.34 H new ATOM 0 HB3 ASP A 11 4.113 -5.217 -15.990 1.00 24.34 H new ATOM 177 N GLU A 12 6.269 -5.715 -13.439 1.00 30.24 N ATOM 178 CA GLU A 12 7.348 -4.999 -12.743 1.00 61.13 C ATOM 179 C GLU A 12 7.435 -3.512 -13.133 1.00 25.04 C ATOM 180 O GLU A 12 7.716 -2.662 -12.285 1.00 71.15 O ATOM 181 CB GLU A 12 8.691 -5.686 -13.019 1.00 12.12 C ATOM 182 CG GLU A 12 9.885 -4.997 -12.364 1.00 42.24 C ATOM 183 CD GLU A 12 11.205 -5.683 -12.676 1.00 40.45 C ATOM 184 OE1 GLU A 12 11.638 -5.640 -13.844 1.00 5.01 O ATOM 185 OE2 GLU A 12 11.821 -6.261 -11.754 1.00 35.31 O ATOM 0 H GLU A 12 6.581 -6.554 -13.929 1.00 30.24 H new ATOM 0 HA GLU A 12 7.115 -5.035 -11.679 1.00 61.13 H new ATOM 0 HB2 GLU A 12 8.640 -6.716 -12.666 1.00 12.12 H new ATOM 0 HB3 GLU A 12 8.853 -5.726 -14.096 1.00 12.12 H new ATOM 0 HG2 GLU A 12 9.931 -3.961 -12.701 1.00 42.24 H new ATOM 0 HG3 GLU A 12 9.739 -4.975 -11.284 1.00 42.24 H new ATOM 192 N GLU A 13 7.194 -3.200 -14.409 1.00 23.22 N ATOM 193 CA GLU A 13 7.301 -1.820 -14.909 1.00 40.41 C ATOM 194 C GLU A 13 6.475 -0.841 -14.057 1.00 40.33 C ATOM 195 O GLU A 13 6.900 0.287 -13.801 1.00 73.54 O ATOM 196 CB GLU A 13 6.870 -1.752 -16.388 1.00 71.21 C ATOM 197 CG GLU A 13 5.369 -1.958 -16.636 1.00 72.21 C ATOM 198 CD GLU A 13 4.631 -0.655 -16.934 1.00 31.41 C ATOM 199 OE1 GLU A 13 4.595 -0.246 -18.114 1.00 22.52 O ATOM 200 OE2 GLU A 13 4.095 -0.029 -15.996 1.00 63.35 O ATOM 0 H GLU A 13 6.923 -3.882 -15.118 1.00 23.22 H new ATOM 0 HA GLU A 13 8.345 -1.518 -14.832 1.00 40.41 H new ATOM 0 HB2 GLU A 13 7.160 -0.782 -16.791 1.00 71.21 H new ATOM 0 HB3 GLU A 13 7.422 -2.507 -16.947 1.00 71.21 H new ATOM 0 HG2 GLU A 13 5.235 -2.645 -17.472 1.00 72.21 H new ATOM 0 HG3 GLU A 13 4.923 -2.430 -15.761 1.00 72.21 H new ATOM 207 N THR A 14 5.308 -1.292 -13.599 1.00 22.23 N ATOM 208 CA THR A 14 4.435 -0.466 -12.757 1.00 43.22 C ATOM 209 C THR A 14 5.058 -0.230 -11.377 1.00 35.41 C ATOM 210 O THR A 14 5.223 0.911 -10.941 1.00 62.41 O ATOM 211 CB THR A 14 3.044 -1.118 -12.574 1.00 2.12 C ATOM 212 OG1 THR A 14 2.452 -1.403 -13.851 1.00 22.31 O ATOM 213 CG2 THR A 14 2.112 -0.211 -11.776 1.00 14.33 C ATOM 0 H THR A 14 4.943 -2.224 -13.795 1.00 22.23 H new ATOM 0 HA THR A 14 4.317 0.489 -13.269 1.00 43.22 H new ATOM 0 HB THR A 14 3.185 -2.048 -12.023 1.00 2.12 H new ATOM 0 HG1 THR A 14 2.971 -0.964 -14.557 1.00 22.31 H new ATOM 0 HG21 THR A 14 1.142 -0.695 -11.663 1.00 14.33 H new ATOM 0 HG22 THR A 14 2.541 -0.024 -10.792 1.00 14.33 H new ATOM 0 HG23 THR A 14 1.986 0.735 -12.302 1.00 14.33 H new ATOM 221 N LEU A 15 5.416 -1.320 -10.699 1.00 63.40 N ATOM 222 CA LEU A 15 6.043 -1.242 -9.375 1.00 31.42 C ATOM 223 C LEU A 15 7.347 -0.425 -9.421 1.00 41.11 C ATOM 224 O LEU A 15 7.692 0.268 -8.465 1.00 60.23 O ATOM 225 CB LEU A 15 6.325 -2.654 -8.842 1.00 52.20 C ATOM 226 CG LEU A 15 6.925 -2.713 -7.427 1.00 13.23 C ATOM 227 CD1 LEU A 15 5.973 -2.097 -6.405 1.00 24.01 C ATOM 228 CD2 LEU A 15 7.276 -4.150 -7.049 1.00 12.02 C ATOM 0 H LEU A 15 5.283 -2.271 -11.044 1.00 63.40 H new ATOM 0 HA LEU A 15 5.351 -0.735 -8.703 1.00 31.42 H new ATOM 0 HB2 LEU A 15 5.393 -3.220 -8.848 1.00 52.20 H new ATOM 0 HB3 LEU A 15 7.007 -3.155 -9.529 1.00 52.20 H new ATOM 0 HG LEU A 15 7.844 -2.127 -7.424 1.00 13.23 H new ATOM 0 HD11 LEU A 15 6.420 -2.151 -5.412 1.00 24.01 H new ATOM 0 HD12 LEU A 15 5.787 -1.054 -6.663 1.00 24.01 H new ATOM 0 HD13 LEU A 15 5.031 -2.645 -6.409 1.00 24.01 H new ATOM 0 HD21 LEU A 15 7.699 -4.169 -6.045 1.00 12.02 H new ATOM 0 HD22 LEU A 15 6.375 -4.763 -7.075 1.00 12.02 H new ATOM 0 HD23 LEU A 15 8.005 -4.545 -7.757 1.00 12.02 H new ATOM 240 N ARG A 16 8.061 -0.517 -10.541 1.00 50.12 N ATOM 241 CA ARG A 16 9.307 0.235 -10.748 1.00 3.02 C ATOM 242 C ARG A 16 9.052 1.750 -10.695 1.00 34.45 C ATOM 243 O ARG A 16 9.840 2.509 -10.127 1.00 64.13 O ATOM 244 CB ARG A 16 9.925 -0.150 -12.100 1.00 73.11 C ATOM 245 CG ARG A 16 11.285 0.488 -12.378 1.00 20.13 C ATOM 246 CD ARG A 16 11.862 0.010 -13.708 1.00 44.43 C ATOM 247 NE ARG A 16 13.195 0.553 -13.957 1.00 15.15 N ATOM 248 CZ ARG A 16 14.172 -0.126 -14.494 1.00 30.02 C ATOM 249 NH1 ARG A 16 14.010 -1.371 -14.816 1.00 62.13 N ATOM 250 NH2 ARG A 16 15.313 0.443 -14.697 1.00 30.25 N ATOM 0 H ARG A 16 7.799 -1.110 -11.329 1.00 50.12 H new ATOM 0 HA ARG A 16 10.001 -0.019 -9.947 1.00 3.02 H new ATOM 0 HB2 ARG A 16 10.031 -1.234 -12.142 1.00 73.11 H new ATOM 0 HB3 ARG A 16 9.235 0.134 -12.895 1.00 73.11 H new ATOM 0 HG2 ARG A 16 11.184 1.573 -12.392 1.00 20.13 H new ATOM 0 HG3 ARG A 16 11.975 0.243 -11.571 1.00 20.13 H new ATOM 0 HD2 ARG A 16 11.908 -1.079 -13.712 1.00 44.43 H new ATOM 0 HD3 ARG A 16 11.195 0.303 -14.518 1.00 44.43 H new ATOM 0 HE ARG A 16 13.373 1.523 -13.695 1.00 15.15 H new ATOM 0 HH11 ARG A 16 13.113 -1.828 -14.650 1.00 62.13 H new ATOM 0 HH12 ARG A 16 14.779 -1.894 -15.235 1.00 62.13 H new ATOM 0 HH21 ARG A 16 15.449 1.420 -14.438 1.00 30.25 H new ATOM 0 HH22 ARG A 16 16.079 -0.085 -15.116 1.00 30.25 H new ATOM 264 N LYS A 17 7.941 2.177 -11.290 1.00 71.34 N ATOM 265 CA LYS A 17 7.541 3.588 -11.288 1.00 53.42 C ATOM 266 C LYS A 17 7.183 4.067 -9.868 1.00 65.42 C ATOM 267 O LYS A 17 7.650 5.116 -9.424 1.00 12.13 O ATOM 268 CB LYS A 17 6.363 3.786 -12.249 1.00 61.41 C ATOM 269 CG LYS A 17 6.720 3.457 -13.697 1.00 63.05 C ATOM 270 CD LYS A 17 5.486 3.338 -14.582 1.00 44.01 C ATOM 271 CE LYS A 17 5.863 2.968 -16.013 1.00 13.24 C ATOM 272 NZ LYS A 17 4.671 2.660 -16.846 1.00 33.14 N ATOM 0 H LYS A 17 7.294 1.562 -11.785 1.00 71.34 H new ATOM 0 HA LYS A 17 8.383 4.192 -11.627 1.00 53.42 H new ATOM 0 HB2 LYS A 17 5.532 3.156 -11.932 1.00 61.41 H new ATOM 0 HB3 LYS A 17 6.021 4.819 -12.189 1.00 61.41 H new ATOM 0 HG2 LYS A 17 7.375 4.233 -14.093 1.00 63.05 H new ATOM 0 HG3 LYS A 17 7.279 2.522 -13.728 1.00 63.05 H new ATOM 0 HD2 LYS A 17 4.815 2.582 -14.174 1.00 44.01 H new ATOM 0 HD3 LYS A 17 4.942 4.283 -14.580 1.00 44.01 H new ATOM 0 HE2 LYS A 17 6.417 3.790 -16.465 1.00 13.24 H new ATOM 0 HE3 LYS A 17 6.528 2.104 -16.000 1.00 13.24 H new ATOM 0 HZ1 LYS A 17 4.967 2.497 -17.829 1.00 33.14 H new ATOM 0 HZ2 LYS A 17 4.203 1.807 -16.480 1.00 33.14 H new ATOM 0 HZ3 LYS A 17 4.008 3.460 -16.813 1.00 33.14 H new ATOM 286 N PHE A 18 6.367 3.284 -9.157 1.00 45.34 N ATOM 287 CA PHE A 18 6.001 3.600 -7.767 1.00 42.21 C ATOM 288 C PHE A 18 7.238 3.669 -6.856 1.00 32.02 C ATOM 289 O PHE A 18 7.426 4.641 -6.120 1.00 34.23 O ATOM 290 CB PHE A 18 4.996 2.570 -7.227 1.00 64.53 C ATOM 291 CG PHE A 18 3.598 2.747 -7.771 1.00 62.23 C ATOM 292 CD1 PHE A 18 3.325 2.537 -9.115 1.00 72.14 C ATOM 293 CD2 PHE A 18 2.558 3.121 -6.933 1.00 12.42 C ATOM 294 CE1 PHE A 18 2.046 2.698 -9.611 1.00 23.52 C ATOM 295 CE2 PHE A 18 1.277 3.285 -7.424 1.00 41.33 C ATOM 296 CZ PHE A 18 1.021 3.072 -8.765 1.00 23.24 C ATOM 0 H PHE A 18 5.946 2.427 -9.517 1.00 45.34 H new ATOM 0 HA PHE A 18 5.533 4.584 -7.766 1.00 42.21 H new ATOM 0 HB2 PHE A 18 5.348 1.568 -7.472 1.00 64.53 H new ATOM 0 HB3 PHE A 18 4.965 2.640 -6.140 1.00 64.53 H new ATOM 0 HD1 PHE A 18 4.123 2.244 -9.782 1.00 72.14 H new ATOM 0 HD2 PHE A 18 2.752 3.286 -5.883 1.00 12.42 H new ATOM 0 HE1 PHE A 18 1.848 2.532 -10.660 1.00 23.52 H new ATOM 0 HE2 PHE A 18 0.477 3.579 -6.761 1.00 41.33 H new ATOM 0 HZ PHE A 18 0.020 3.198 -9.151 1.00 23.24 H new ATOM 306 N LYS A 19 8.088 2.644 -6.919 1.00 63.20 N ATOM 307 CA LYS A 19 9.329 2.621 -6.132 1.00 71.14 C ATOM 308 C LYS A 19 10.221 3.829 -6.458 1.00 2.32 C ATOM 309 O LYS A 19 10.868 4.391 -5.574 1.00 44.12 O ATOM 310 CB LYS A 19 10.106 1.317 -6.382 1.00 45.45 C ATOM 311 CG LYS A 19 9.411 0.067 -5.848 1.00 63.21 C ATOM 312 CD LYS A 19 10.264 -1.191 -6.037 1.00 4.34 C ATOM 313 CE LYS A 19 10.489 -1.522 -7.510 1.00 5.43 C ATOM 314 NZ LYS A 19 11.249 -2.790 -7.683 1.00 41.42 N ATOM 0 H LYS A 19 7.944 1.820 -7.503 1.00 63.20 H new ATOM 0 HA LYS A 19 9.050 2.674 -5.080 1.00 71.14 H new ATOM 0 HB2 LYS A 19 10.266 1.201 -7.454 1.00 45.45 H new ATOM 0 HB3 LYS A 19 11.090 1.398 -5.920 1.00 45.45 H new ATOM 0 HG2 LYS A 19 9.191 0.200 -4.789 1.00 63.21 H new ATOM 0 HG3 LYS A 19 8.456 -0.063 -6.358 1.00 63.21 H new ATOM 0 HD2 LYS A 19 11.228 -1.051 -5.547 1.00 4.34 H new ATOM 0 HD3 LYS A 19 9.777 -2.034 -5.548 1.00 4.34 H new ATOM 0 HE2 LYS A 19 9.527 -1.604 -8.015 1.00 5.43 H new ATOM 0 HE3 LYS A 19 11.031 -0.706 -7.987 1.00 5.43 H new ATOM 0 HZ1 LYS A 19 11.381 -2.980 -8.697 1.00 41.42 H new ATOM 0 HZ2 LYS A 19 12.178 -2.704 -7.223 1.00 41.42 H new ATOM 0 HZ3 LYS A 19 10.720 -3.574 -7.250 1.00 41.42 H new ATOM 328 N ASP A 20 10.247 4.223 -7.731 1.00 75.24 N ATOM 329 CA ASP A 20 11.034 5.375 -8.169 1.00 73.24 C ATOM 330 C ASP A 20 10.583 6.663 -7.459 1.00 54.12 C ATOM 331 O ASP A 20 11.407 7.412 -6.924 1.00 44.22 O ATOM 332 CB ASP A 20 10.929 5.538 -9.690 1.00 31.25 C ATOM 333 CG ASP A 20 11.837 6.631 -10.216 1.00 25.21 C ATOM 334 OD1 ASP A 20 13.073 6.439 -10.192 1.00 62.44 O ATOM 335 OD2 ASP A 20 11.326 7.687 -10.645 1.00 71.32 O ATOM 0 H ASP A 20 9.731 3.760 -8.479 1.00 75.24 H new ATOM 0 HA ASP A 20 12.075 5.195 -7.902 1.00 73.24 H new ATOM 0 HB2 ASP A 20 11.183 4.594 -10.173 1.00 31.25 H new ATOM 0 HB3 ASP A 20 9.897 5.766 -9.958 1.00 31.25 H new ATOM 340 N ILE A 21 9.273 6.898 -7.448 1.00 11.24 N ATOM 341 CA ILE A 21 8.688 8.056 -6.762 1.00 45.35 C ATOM 342 C ILE A 21 9.047 8.055 -5.263 1.00 33.02 C ATOM 343 O ILE A 21 9.388 9.093 -4.687 1.00 22.20 O ATOM 344 CB ILE A 21 7.145 8.070 -6.929 1.00 22.05 C ATOM 345 CG1 ILE A 21 6.770 8.048 -8.423 1.00 72.13 C ATOM 346 CG2 ILE A 21 6.533 9.288 -6.235 1.00 12.31 C ATOM 347 CD1 ILE A 21 5.289 7.865 -8.683 1.00 75.21 C ATOM 0 H ILE A 21 8.589 6.299 -7.909 1.00 11.24 H new ATOM 0 HA ILE A 21 9.105 8.954 -7.219 1.00 45.35 H new ATOM 0 HB ILE A 21 6.739 7.176 -6.456 1.00 22.05 H new ATOM 0 HG12 ILE A 21 7.097 8.981 -8.883 1.00 72.13 H new ATOM 0 HG13 ILE A 21 7.317 7.242 -8.913 1.00 72.13 H new ATOM 0 HG21 ILE A 21 5.451 9.276 -6.366 1.00 12.31 H new ATOM 0 HG22 ILE A 21 6.770 9.258 -5.172 1.00 12.31 H new ATOM 0 HG23 ILE A 21 6.941 10.199 -6.672 1.00 12.31 H new ATOM 0 HD11 ILE A 21 5.106 7.860 -9.758 1.00 75.21 H new ATOM 0 HD12 ILE A 21 4.959 6.919 -8.254 1.00 75.21 H new ATOM 0 HD13 ILE A 21 4.735 8.684 -8.224 1.00 75.21 H new ATOM 359 N ILE A 22 8.978 6.875 -4.645 1.00 2.31 N ATOM 360 CA ILE A 22 9.352 6.706 -3.236 1.00 70.15 C ATOM 361 C ILE A 22 10.817 7.114 -2.983 1.00 71.31 C ATOM 362 O ILE A 22 11.120 7.801 -2.003 1.00 51.11 O ATOM 363 CB ILE A 22 9.127 5.242 -2.770 1.00 51.43 C ATOM 364 CG1 ILE A 22 7.646 4.848 -2.938 1.00 14.04 C ATOM 365 CG2 ILE A 22 9.571 5.060 -1.318 1.00 65.50 C ATOM 366 CD1 ILE A 22 7.347 3.411 -2.566 1.00 64.00 C ATOM 0 H ILE A 22 8.665 6.017 -5.099 1.00 2.31 H new ATOM 0 HA ILE A 22 8.707 7.365 -2.655 1.00 70.15 H new ATOM 0 HB ILE A 22 9.734 4.586 -3.394 1.00 51.43 H new ATOM 0 HG12 ILE A 22 7.033 5.507 -2.323 1.00 14.04 H new ATOM 0 HG13 ILE A 22 7.352 5.013 -3.974 1.00 14.04 H new ATOM 0 HG21 ILE A 22 9.404 4.027 -1.013 1.00 65.50 H new ATOM 0 HG22 ILE A 22 10.631 5.298 -1.229 1.00 65.50 H new ATOM 0 HG23 ILE A 22 8.995 5.726 -0.675 1.00 65.50 H new ATOM 0 HD11 ILE A 22 6.285 3.211 -2.711 1.00 64.00 H new ATOM 0 HD12 ILE A 22 7.932 2.742 -3.198 1.00 64.00 H new ATOM 0 HD13 ILE A 22 7.608 3.244 -1.521 1.00 64.00 H new ATOM 378 N LYS A 23 11.724 6.695 -3.874 1.00 51.53 N ATOM 379 CA LYS A 23 13.139 7.089 -3.767 1.00 40.32 C ATOM 380 C LYS A 23 13.290 8.611 -3.860 1.00 34.45 C ATOM 381 O LYS A 23 14.006 9.229 -3.072 1.00 3.04 O ATOM 382 CB LYS A 23 14.000 6.446 -4.866 1.00 62.45 C ATOM 383 CG LYS A 23 13.864 4.932 -4.985 1.00 45.25 C ATOM 384 CD LYS A 23 15.022 4.315 -5.778 1.00 0.45 C ATOM 385 CE LYS A 23 15.324 5.076 -7.072 1.00 73.41 C ATOM 386 NZ LYS A 23 14.160 5.118 -7.993 1.00 12.02 N ATOM 0 H LYS A 23 11.510 6.091 -4.668 1.00 51.53 H new ATOM 0 HA LYS A 23 13.485 6.737 -2.795 1.00 40.32 H new ATOM 0 HB2 LYS A 23 13.737 6.896 -5.823 1.00 62.45 H new ATOM 0 HB3 LYS A 23 15.046 6.688 -4.676 1.00 62.45 H new ATOM 0 HG2 LYS A 23 13.831 4.491 -3.989 1.00 45.25 H new ATOM 0 HG3 LYS A 23 12.920 4.689 -5.473 1.00 45.25 H new ATOM 0 HD2 LYS A 23 15.916 4.298 -5.154 1.00 0.45 H new ATOM 0 HD3 LYS A 23 14.781 3.279 -6.018 1.00 0.45 H new ATOM 0 HE2 LYS A 23 15.627 6.094 -6.828 1.00 73.41 H new ATOM 0 HE3 LYS A 23 16.167 4.605 -7.578 1.00 73.41 H new ATOM 0 HZ1 LYS A 23 14.489 5.005 -8.973 1.00 12.02 H new ATOM 0 HZ2 LYS A 23 13.502 4.348 -7.757 1.00 12.02 H new ATOM 0 HZ3 LYS A 23 13.672 6.031 -7.895 1.00 12.02 H new ATOM 400 N LYS A 24 12.600 9.205 -4.835 1.00 62.31 N ATOM 401 CA LYS A 24 12.646 10.653 -5.067 1.00 1.50 C ATOM 402 C LYS A 24 12.304 11.454 -3.797 1.00 31.22 C ATOM 403 O LYS A 24 12.962 12.449 -3.480 1.00 4.13 O ATOM 404 CB LYS A 24 11.686 11.024 -6.207 1.00 20.51 C ATOM 405 CG LYS A 24 11.487 12.526 -6.393 1.00 1.34 C ATOM 406 CD LYS A 24 10.621 12.839 -7.612 1.00 14.11 C ATOM 407 CE LYS A 24 11.337 12.504 -8.915 1.00 31.22 C ATOM 408 NZ LYS A 24 12.565 13.320 -9.100 1.00 74.03 N ATOM 0 H LYS A 24 11.996 8.701 -5.484 1.00 62.31 H new ATOM 0 HA LYS A 24 13.667 10.915 -5.346 1.00 1.50 H new ATOM 0 HB2 LYS A 24 12.064 10.601 -7.138 1.00 20.51 H new ATOM 0 HB3 LYS A 24 10.718 10.561 -6.017 1.00 20.51 H new ATOM 0 HG2 LYS A 24 11.022 12.944 -5.500 1.00 1.34 H new ATOM 0 HG3 LYS A 24 12.457 13.010 -6.503 1.00 1.34 H new ATOM 0 HD2 LYS A 24 9.691 12.273 -7.552 1.00 14.11 H new ATOM 0 HD3 LYS A 24 10.353 13.895 -7.606 1.00 14.11 H new ATOM 0 HE2 LYS A 24 11.600 11.446 -8.923 1.00 31.22 H new ATOM 0 HE3 LYS A 24 10.661 12.671 -9.754 1.00 31.22 H new ATOM 0 HZ1 LYS A 24 12.870 13.268 -10.093 1.00 74.03 H new ATOM 0 HZ2 LYS A 24 12.365 14.310 -8.851 1.00 74.03 H new ATOM 0 HZ3 LYS A 24 13.320 12.955 -8.486 1.00 74.03 H new ATOM 422 N ASN A 25 11.282 11.010 -3.072 1.00 13.23 N ATOM 423 CA ASN A 25 10.855 11.682 -1.840 1.00 64.40 C ATOM 424 C ASN A 25 11.728 11.304 -0.631 1.00 52.11 C ATOM 425 O ASN A 25 11.538 11.828 0.467 1.00 14.24 O ATOM 426 CB ASN A 25 9.385 11.363 -1.564 1.00 34.02 C ATOM 427 CG ASN A 25 8.473 11.974 -2.607 1.00 65.50 C ATOM 428 OD1 ASN A 25 8.727 13.068 -3.107 1.00 4.23 O ATOM 429 ND2 ASN A 25 7.414 11.276 -2.956 1.00 74.12 N ATOM 0 H ASN A 25 10.730 10.187 -3.313 1.00 13.23 H new ATOM 0 HA ASN A 25 10.976 12.755 -1.989 1.00 64.40 H new ATOM 0 HB2 ASN A 25 9.244 10.282 -1.546 1.00 34.02 H new ATOM 0 HB3 ASN A 25 9.111 11.736 -0.577 1.00 34.02 H new ATOM 0 HD21 ASN A 25 6.774 11.639 -3.662 1.00 74.12 H new ATOM 0 HD22 ASN A 25 7.233 10.371 -2.521 1.00 74.12 H new ATOM 436 N GLY A 26 12.682 10.397 -0.836 1.00 55.24 N ATOM 437 CA GLY A 26 13.608 10.018 0.228 1.00 25.14 C ATOM 438 C GLY A 26 13.003 9.069 1.260 1.00 3.33 C ATOM 439 O GLY A 26 13.139 9.282 2.466 1.00 63.30 O ATOM 0 H GLY A 26 12.833 9.915 -1.722 1.00 55.24 H new ATOM 0 HA2 GLY A 26 14.484 9.546 -0.216 1.00 25.14 H new ATOM 0 HA3 GLY A 26 13.953 10.919 0.735 1.00 25.14 H new ATOM 443 N PHE A 27 12.325 8.023 0.792 1.00 13.21 N ATOM 444 CA PHE A 27 11.752 6.996 1.677 1.00 62.23 C ATOM 445 C PHE A 27 12.340 5.610 1.366 1.00 70.32 C ATOM 446 O PHE A 27 12.871 5.378 0.278 1.00 13.04 O ATOM 447 CB PHE A 27 10.223 6.954 1.541 1.00 73.30 C ATOM 448 CG PHE A 27 9.517 8.161 2.110 1.00 34.12 C ATOM 449 CD1 PHE A 27 9.485 9.361 1.415 1.00 33.35 C ATOM 450 CD2 PHE A 27 8.889 8.094 3.345 1.00 30.13 C ATOM 451 CE1 PHE A 27 8.840 10.465 1.939 1.00 50.24 C ATOM 452 CE2 PHE A 27 8.243 9.195 3.872 1.00 1.45 C ATOM 453 CZ PHE A 27 8.220 10.382 3.168 1.00 71.43 C ATOM 0 H PHE A 27 12.155 7.859 -0.200 1.00 13.21 H new ATOM 0 HA PHE A 27 12.009 7.262 2.702 1.00 62.23 H new ATOM 0 HB2 PHE A 27 9.966 6.861 0.486 1.00 73.30 H new ATOM 0 HB3 PHE A 27 9.850 6.060 2.040 1.00 73.30 H new ATOM 0 HD1 PHE A 27 9.970 9.433 0.453 1.00 33.35 H new ATOM 0 HD2 PHE A 27 8.905 7.169 3.902 1.00 30.13 H new ATOM 0 HE1 PHE A 27 8.821 11.393 1.386 1.00 50.24 H new ATOM 0 HE2 PHE A 27 7.756 9.127 4.834 1.00 1.45 H new ATOM 0 HZ PHE A 27 7.717 11.245 3.579 1.00 71.43 H new ATOM 463 N LYS A 28 12.251 4.694 2.328 1.00 33.50 N ATOM 464 CA LYS A 28 12.744 3.325 2.136 1.00 22.12 C ATOM 465 C LYS A 28 11.600 2.386 1.719 1.00 41.11 C ATOM 466 O LYS A 28 10.522 2.398 2.316 1.00 45.42 O ATOM 467 CB LYS A 28 13.419 2.824 3.422 1.00 63.24 C ATOM 468 CG LYS A 28 14.543 3.736 3.916 1.00 73.12 C ATOM 469 CD LYS A 28 15.599 3.974 2.835 1.00 63.11 C ATOM 470 CE LYS A 28 16.640 5.005 3.262 1.00 13.14 C ATOM 471 NZ LYS A 28 17.446 4.547 4.425 1.00 11.51 N ATOM 0 H LYS A 28 11.844 4.870 3.247 1.00 33.50 H new ATOM 0 HA LYS A 28 13.482 3.330 1.334 1.00 22.12 H new ATOM 0 HB2 LYS A 28 12.667 2.731 4.205 1.00 63.24 H new ATOM 0 HB3 LYS A 28 13.822 1.826 3.247 1.00 63.24 H new ATOM 0 HG2 LYS A 28 14.124 4.692 4.231 1.00 73.12 H new ATOM 0 HG3 LYS A 28 15.014 3.290 4.792 1.00 73.12 H new ATOM 0 HD2 LYS A 28 16.097 3.033 2.602 1.00 63.11 H new ATOM 0 HD3 LYS A 28 15.111 4.311 1.921 1.00 63.11 H new ATOM 0 HE2 LYS A 28 17.304 5.216 2.424 1.00 13.14 H new ATOM 0 HE3 LYS A 28 16.140 5.940 3.515 1.00 13.14 H new ATOM 0 HZ1 LYS A 28 18.161 5.266 4.656 1.00 11.51 H new ATOM 0 HZ2 LYS A 28 16.822 4.403 5.245 1.00 11.51 H new ATOM 0 HZ3 LYS A 28 17.919 3.652 4.188 1.00 11.51 H new ATOM 485 N VAL A 29 11.847 1.566 0.700 1.00 2.51 N ATOM 486 CA VAL A 29 10.804 0.721 0.112 1.00 40.44 C ATOM 487 C VAL A 29 10.809 -0.701 0.695 1.00 2.04 C ATOM 488 O VAL A 29 11.849 -1.362 0.753 1.00 22.11 O ATOM 489 CB VAL A 29 10.968 0.620 -1.428 1.00 31.55 C ATOM 490 CG1 VAL A 29 9.792 -0.131 -2.050 1.00 21.44 C ATOM 491 CG2 VAL A 29 11.125 2.006 -2.053 1.00 72.41 C ATOM 0 H VAL A 29 12.763 1.467 0.261 1.00 2.51 H new ATOM 0 HA VAL A 29 9.856 1.199 0.357 1.00 40.44 H new ATOM 0 HB VAL A 29 11.877 0.055 -1.635 1.00 31.55 H new ATOM 0 HG11 VAL A 29 9.928 -0.190 -3.130 1.00 21.44 H new ATOM 0 HG12 VAL A 29 9.743 -1.138 -1.635 1.00 21.44 H new ATOM 0 HG13 VAL A 29 8.865 0.398 -1.829 1.00 21.44 H new ATOM 0 HG21 VAL A 29 11.238 1.908 -3.133 1.00 72.41 H new ATOM 0 HG22 VAL A 29 10.242 2.606 -1.834 1.00 72.41 H new ATOM 0 HG23 VAL A 29 12.007 2.494 -1.639 1.00 72.41 H new ATOM 501 N ARG A 30 9.636 -1.163 1.125 1.00 43.43 N ATOM 502 CA ARG A 30 9.444 -2.550 1.567 1.00 13.11 C ATOM 503 C ARG A 30 8.544 -3.305 0.573 1.00 62.11 C ATOM 504 O ARG A 30 7.319 -3.208 0.645 1.00 44.01 O ATOM 505 CB ARG A 30 8.814 -2.579 2.977 1.00 43.23 C ATOM 506 CG ARG A 30 9.731 -3.109 4.078 1.00 34.20 C ATOM 507 CD ARG A 30 11.023 -2.309 4.196 1.00 0.42 C ATOM 508 NE ARG A 30 11.775 -2.670 5.396 1.00 23.44 N ATOM 509 CZ ARG A 30 12.617 -3.667 5.475 1.00 75.32 C ATOM 510 NH1 ARG A 30 12.806 -4.463 4.469 1.00 12.33 N ATOM 511 NH2 ARG A 30 13.250 -3.879 6.580 1.00 14.50 N ATOM 0 H ARG A 30 8.793 -0.592 1.178 1.00 43.43 H new ATOM 0 HA ARG A 30 10.416 -3.041 1.605 1.00 13.11 H new ATOM 0 HB2 ARG A 30 8.500 -1.569 3.240 1.00 43.23 H new ATOM 0 HB3 ARG A 30 7.915 -3.194 2.945 1.00 43.23 H new ATOM 0 HG2 ARG A 30 9.202 -3.082 5.031 1.00 34.20 H new ATOM 0 HG3 ARG A 30 9.971 -4.153 3.876 1.00 34.20 H new ATOM 0 HD2 ARG A 30 11.640 -2.482 3.314 1.00 0.42 H new ATOM 0 HD3 ARG A 30 10.791 -1.244 4.219 1.00 0.42 H new ATOM 0 HE ARG A 30 11.633 -2.103 6.232 1.00 23.44 H new ATOM 0 HH11 ARG A 30 12.294 -4.316 3.599 1.00 12.33 H new ATOM 0 HH12 ARG A 30 13.467 -5.236 4.547 1.00 12.33 H new ATOM 0 HH21 ARG A 30 13.092 -3.271 7.383 1.00 14.50 H new ATOM 0 HH22 ARG A 30 13.909 -4.655 6.650 1.00 14.50 H new ATOM 525 N THR A 31 9.146 -4.036 -0.363 1.00 35.24 N ATOM 526 CA THR A 31 8.376 -4.793 -1.363 1.00 21.14 C ATOM 527 C THR A 31 7.931 -6.154 -0.819 1.00 51.21 C ATOM 528 O THR A 31 8.706 -7.110 -0.784 1.00 71.11 O ATOM 529 CB THR A 31 9.176 -5.007 -2.671 1.00 64.12 C ATOM 530 OG1 THR A 31 10.383 -5.742 -2.408 1.00 72.44 O ATOM 531 CG2 THR A 31 9.524 -3.670 -3.318 1.00 12.33 C ATOM 0 H THR A 31 10.158 -4.124 -0.455 1.00 35.24 H new ATOM 0 HA THR A 31 7.495 -4.191 -1.586 1.00 21.14 H new ATOM 0 HB THR A 31 8.550 -5.579 -3.357 1.00 64.12 H new ATOM 0 HG1 THR A 31 10.195 -6.463 -1.772 1.00 72.44 H new ATOM 0 HG21 THR A 31 10.086 -3.845 -4.235 1.00 12.33 H new ATOM 0 HG22 THR A 31 8.607 -3.129 -3.552 1.00 12.33 H new ATOM 0 HG23 THR A 31 10.128 -3.079 -2.630 1.00 12.33 H new ATOM 539 N VAL A 32 6.677 -6.233 -0.393 1.00 23.15 N ATOM 540 CA VAL A 32 6.138 -7.450 0.221 1.00 43.30 C ATOM 541 C VAL A 32 5.367 -8.315 -0.786 1.00 35.12 C ATOM 542 O VAL A 32 4.543 -7.818 -1.552 1.00 23.13 O ATOM 543 CB VAL A 32 5.198 -7.099 1.400 1.00 42.52 C ATOM 544 CG1 VAL A 32 4.579 -8.359 2.006 1.00 32.03 C ATOM 545 CG2 VAL A 32 5.944 -6.293 2.463 1.00 22.22 C ATOM 0 H VAL A 32 6.007 -5.467 -0.460 1.00 23.15 H new ATOM 0 HA VAL A 32 6.994 -8.020 0.583 1.00 43.30 H new ATOM 0 HB VAL A 32 4.386 -6.484 1.012 1.00 42.52 H new ATOM 0 HG11 VAL A 32 3.924 -8.082 2.832 1.00 32.03 H new ATOM 0 HG12 VAL A 32 4.001 -8.883 1.245 1.00 32.03 H new ATOM 0 HG13 VAL A 32 5.370 -9.012 2.374 1.00 32.03 H new ATOM 0 HG21 VAL A 32 5.266 -6.056 3.283 1.00 22.22 H new ATOM 0 HG22 VAL A 32 6.781 -6.878 2.842 1.00 22.22 H new ATOM 0 HG23 VAL A 32 6.318 -5.368 2.023 1.00 22.22 H new ATOM 555 N ARG A 33 5.646 -9.615 -0.770 1.00 5.23 N ATOM 556 CA ARG A 33 4.878 -10.595 -1.543 1.00 54.42 C ATOM 557 C ARG A 33 4.292 -11.666 -0.608 1.00 31.30 C ATOM 558 O ARG A 33 3.257 -12.266 -0.892 1.00 4.20 O ATOM 559 CB ARG A 33 5.780 -11.277 -2.581 1.00 20.33 C ATOM 560 CG ARG A 33 5.031 -12.179 -3.568 1.00 51.13 C ATOM 561 CD ARG A 33 5.872 -13.378 -3.999 1.00 71.53 C ATOM 562 NE ARG A 33 6.010 -14.356 -2.917 1.00 0.01 N ATOM 563 CZ ARG A 33 7.117 -14.985 -2.621 1.00 51.31 C ATOM 564 NH1 ARG A 33 8.218 -14.718 -3.247 1.00 62.11 N ATOM 565 NH2 ARG A 33 7.123 -15.861 -1.669 1.00 44.41 N ATOM 0 H ARG A 33 6.406 -10.021 -0.225 1.00 5.23 H new ATOM 0 HA ARG A 33 4.068 -10.072 -2.052 1.00 54.42 H new ATOM 0 HB2 ARG A 33 6.315 -10.510 -3.141 1.00 20.33 H new ATOM 0 HB3 ARG A 33 6.530 -11.872 -2.059 1.00 20.33 H new ATOM 0 HG2 ARG A 33 4.107 -12.531 -3.108 1.00 51.13 H new ATOM 0 HG3 ARG A 33 4.749 -11.599 -4.447 1.00 51.13 H new ATOM 0 HD2 ARG A 33 5.411 -13.854 -4.864 1.00 71.53 H new ATOM 0 HD3 ARG A 33 6.859 -13.038 -4.311 1.00 71.53 H new ATOM 0 HE ARG A 33 5.184 -14.561 -2.355 1.00 0.01 H new ATOM 0 HH11 ARG A 33 8.229 -14.010 -3.981 1.00 62.11 H new ATOM 0 HH12 ARG A 33 9.075 -15.216 -3.006 1.00 62.11 H new ATOM 0 HH21 ARG A 33 6.266 -16.059 -1.152 1.00 44.41 H new ATOM 0 HH22 ARG A 33 7.985 -16.354 -1.435 1.00 44.41 H new ATOM 579 N SER A 34 4.985 -11.905 0.507 1.00 40.53 N ATOM 580 CA SER A 34 4.611 -12.960 1.462 1.00 35.11 C ATOM 581 C SER A 34 4.356 -12.389 2.868 1.00 53.04 C ATOM 582 O SER A 34 4.934 -11.366 3.245 1.00 10.30 O ATOM 583 CB SER A 34 5.730 -14.008 1.530 1.00 12.52 C ATOM 584 OG SER A 34 6.049 -14.501 0.240 1.00 53.34 O ATOM 0 H SER A 34 5.816 -11.379 0.776 1.00 40.53 H new ATOM 0 HA SER A 34 3.686 -13.418 1.112 1.00 35.11 H new ATOM 0 HB2 SER A 34 6.618 -13.567 1.984 1.00 12.52 H new ATOM 0 HB3 SER A 34 5.421 -14.833 2.171 1.00 12.52 H new ATOM 0 HG SER A 34 5.223 -14.683 -0.254 1.00 53.34 H new ATOM 590 N PRO A 35 3.509 -13.058 3.682 1.00 13.32 N ATOM 591 CA PRO A 35 3.188 -12.605 5.052 1.00 61.20 C ATOM 592 C PRO A 35 4.439 -12.400 5.927 1.00 53.10 C ATOM 593 O PRO A 35 4.516 -11.439 6.697 1.00 2.31 O ATOM 594 CB PRO A 35 2.298 -13.731 5.613 1.00 61.44 C ATOM 595 CG PRO A 35 2.487 -14.890 4.687 1.00 1.14 C ATOM 596 CD PRO A 35 2.788 -14.299 3.339 1.00 11.31 C ATOM 0 HA PRO A 35 2.701 -11.630 5.046 1.00 61.20 H new ATOM 0 HB2 PRO A 35 2.589 -13.991 6.631 1.00 61.44 H new ATOM 0 HB3 PRO A 35 1.253 -13.424 5.649 1.00 61.44 H new ATOM 0 HG2 PRO A 35 3.303 -15.529 5.024 1.00 1.14 H new ATOM 0 HG3 PRO A 35 1.591 -15.510 4.650 1.00 1.14 H new ATOM 0 HD2 PRO A 35 3.398 -14.967 2.731 1.00 11.31 H new ATOM 0 HD3 PRO A 35 1.878 -14.096 2.774 1.00 11.31 H new ATOM 604 N GLN A 36 5.423 -13.291 5.796 1.00 55.22 N ATOM 605 CA GLN A 36 6.679 -13.167 6.546 1.00 2.24 C ATOM 606 C GLN A 36 7.419 -11.861 6.199 1.00 32.13 C ATOM 607 O GLN A 36 8.077 -11.264 7.052 1.00 73.53 O ATOM 608 CB GLN A 36 7.591 -14.377 6.287 1.00 20.11 C ATOM 609 CG GLN A 36 8.008 -14.548 4.829 1.00 34.24 C ATOM 610 CD GLN A 36 9.013 -15.671 4.637 1.00 30.24 C ATOM 611 OE1 GLN A 36 8.648 -16.819 4.415 1.00 3.42 O ATOM 612 NE2 GLN A 36 10.288 -15.354 4.723 1.00 70.23 N ATOM 0 H GLN A 36 5.378 -14.104 5.181 1.00 55.22 H new ATOM 0 HA GLN A 36 6.424 -13.139 7.605 1.00 2.24 H new ATOM 0 HB2 GLN A 36 8.487 -14.280 6.900 1.00 20.11 H new ATOM 0 HB3 GLN A 36 7.077 -15.281 6.614 1.00 20.11 H new ATOM 0 HG2 GLN A 36 7.124 -14.749 4.223 1.00 34.24 H new ATOM 0 HG3 GLN A 36 8.438 -13.614 4.466 1.00 34.24 H new ATOM 0 HE21 GLN A 36 10.562 -14.389 4.909 1.00 70.23 H new ATOM 0 HE22 GLN A 36 11.001 -16.073 4.604 1.00 70.23 H new ATOM 621 N GLU A 37 7.298 -11.418 4.946 1.00 32.22 N ATOM 622 CA GLU A 37 7.936 -10.175 4.495 1.00 51.51 C ATOM 623 C GLU A 37 7.185 -8.946 5.023 1.00 13.32 C ATOM 624 O GLU A 37 7.793 -7.927 5.357 1.00 60.21 O ATOM 625 CB GLU A 37 7.994 -10.134 2.963 1.00 35.34 C ATOM 626 CG GLU A 37 8.731 -11.318 2.347 1.00 71.40 C ATOM 627 CD GLU A 37 8.779 -11.252 0.832 1.00 62.32 C ATOM 628 OE1 GLU A 37 7.720 -11.432 0.197 1.00 43.12 O ATOM 629 OE2 GLU A 37 9.876 -11.026 0.272 1.00 14.01 O ATOM 0 H GLU A 37 6.764 -11.901 4.223 1.00 32.22 H new ATOM 0 HA GLU A 37 8.951 -10.154 4.893 1.00 51.51 H new ATOM 0 HB2 GLU A 37 6.978 -10.105 2.570 1.00 35.34 H new ATOM 0 HB3 GLU A 37 8.482 -9.211 2.651 1.00 35.34 H new ATOM 0 HG2 GLU A 37 9.748 -11.351 2.738 1.00 71.40 H new ATOM 0 HG3 GLU A 37 8.242 -12.244 2.651 1.00 71.40 H new ATOM 636 N LEU A 38 5.857 -9.050 5.084 1.00 60.04 N ATOM 637 CA LEU A 38 5.023 -7.998 5.682 1.00 41.21 C ATOM 638 C LEU A 38 5.365 -7.828 7.166 1.00 44.31 C ATOM 639 O LEU A 38 5.653 -6.723 7.636 1.00 42.53 O ATOM 640 CB LEU A 38 3.532 -8.346 5.526 1.00 41.54 C ATOM 641 CG LEU A 38 2.543 -7.288 6.050 1.00 63.35 C ATOM 642 CD1 LEU A 38 2.707 -5.971 5.292 1.00 11.14 C ATOM 643 CD2 LEU A 38 1.107 -7.799 5.949 1.00 24.41 C ATOM 0 H LEU A 38 5.333 -9.850 4.728 1.00 60.04 H new ATOM 0 HA LEU A 38 5.224 -7.061 5.163 1.00 41.21 H new ATOM 0 HB2 LEU A 38 3.326 -8.518 4.470 1.00 41.54 H new ATOM 0 HB3 LEU A 38 3.340 -9.285 6.045 1.00 41.54 H new ATOM 0 HG LEU A 38 2.765 -7.102 7.101 1.00 63.35 H new ATOM 0 HD11 LEU A 38 1.999 -5.238 5.678 1.00 11.14 H new ATOM 0 HD12 LEU A 38 3.723 -5.599 5.425 1.00 11.14 H new ATOM 0 HD13 LEU A 38 2.517 -6.135 4.231 1.00 11.14 H new ATOM 0 HD21 LEU A 38 0.423 -7.038 6.324 1.00 24.41 H new ATOM 0 HD22 LEU A 38 0.871 -8.018 4.908 1.00 24.41 H new ATOM 0 HD23 LEU A 38 1.001 -8.706 6.543 1.00 24.41 H new ATOM 655 N LYS A 39 5.345 -8.942 7.891 1.00 61.53 N ATOM 656 CA LYS A 39 5.681 -8.953 9.314 1.00 13.11 C ATOM 657 C LYS A 39 7.131 -8.496 9.547 1.00 20.44 C ATOM 658 O LYS A 39 7.414 -7.774 10.498 1.00 24.45 O ATOM 659 CB LYS A 39 5.463 -10.359 9.891 1.00 30.35 C ATOM 660 CG LYS A 39 5.606 -10.429 11.407 1.00 41.11 C ATOM 661 CD LYS A 39 5.313 -11.823 11.952 1.00 13.33 C ATOM 662 CE LYS A 39 6.307 -12.864 11.445 1.00 75.25 C ATOM 663 NZ LYS A 39 6.093 -14.185 12.090 1.00 65.24 N ATOM 0 H LYS A 39 5.098 -9.857 7.514 1.00 61.53 H new ATOM 0 HA LYS A 39 5.024 -8.250 9.827 1.00 13.11 H new ATOM 0 HB2 LYS A 39 4.468 -10.706 9.613 1.00 30.35 H new ATOM 0 HB3 LYS A 39 6.178 -11.044 9.436 1.00 30.35 H new ATOM 0 HG2 LYS A 39 6.618 -10.137 11.688 1.00 41.11 H new ATOM 0 HG3 LYS A 39 4.927 -9.711 11.867 1.00 41.11 H new ATOM 0 HD2 LYS A 39 5.341 -11.798 13.041 1.00 13.33 H new ATOM 0 HD3 LYS A 39 4.304 -12.118 11.665 1.00 13.33 H new ATOM 0 HE2 LYS A 39 6.208 -12.966 10.364 1.00 75.25 H new ATOM 0 HE3 LYS A 39 7.324 -12.523 11.641 1.00 75.25 H new ATOM 0 HZ1 LYS A 39 6.786 -14.868 11.722 1.00 65.24 H new ATOM 0 HZ2 LYS A 39 6.212 -14.092 13.119 1.00 65.24 H new ATOM 0 HZ3 LYS A 39 5.131 -14.521 11.882 1.00 65.24 H new ATOM 677 N ASP A 40 8.035 -8.897 8.651 1.00 32.33 N ATOM 678 CA ASP A 40 9.455 -8.510 8.726 1.00 3.31 C ATOM 679 C ASP A 40 9.622 -6.984 8.875 1.00 21.22 C ATOM 680 O ASP A 40 10.549 -6.506 9.530 1.00 25.24 O ATOM 681 CB ASP A 40 10.177 -9.019 7.471 1.00 42.54 C ATOM 682 CG ASP A 40 11.635 -8.598 7.395 1.00 54.31 C ATOM 683 OD1 ASP A 40 12.449 -9.087 8.213 1.00 12.42 O ATOM 684 OD2 ASP A 40 11.977 -7.790 6.503 1.00 12.52 O ATOM 0 H ASP A 40 7.811 -9.495 7.856 1.00 32.33 H new ATOM 0 HA ASP A 40 9.897 -8.964 9.613 1.00 3.31 H new ATOM 0 HB2 ASP A 40 10.120 -10.107 7.445 1.00 42.54 H new ATOM 0 HB3 ASP A 40 9.655 -8.652 6.588 1.00 42.54 H new ATOM 689 N SER A 41 8.708 -6.231 8.268 1.00 53.22 N ATOM 690 CA SER A 41 8.694 -4.766 8.395 1.00 24.00 C ATOM 691 C SER A 41 7.972 -4.324 9.678 1.00 70.53 C ATOM 692 O SER A 41 8.499 -3.533 10.465 1.00 72.40 O ATOM 693 CB SER A 41 8.006 -4.134 7.175 1.00 21.03 C ATOM 694 OG SER A 41 7.982 -2.715 7.267 1.00 23.25 O ATOM 0 H SER A 41 7.964 -6.607 7.681 1.00 53.22 H new ATOM 0 HA SER A 41 9.729 -4.427 8.447 1.00 24.00 H new ATOM 0 HB2 SER A 41 8.529 -4.432 6.266 1.00 21.03 H new ATOM 0 HB3 SER A 41 6.987 -4.512 7.095 1.00 21.03 H new ATOM 0 HG SER A 41 7.539 -2.343 6.476 1.00 23.25 H new ATOM 863 N ALA A 51 11.038 7.046 8.035 1.00 50.43 N ATOM 864 CA ALA A 51 10.527 7.173 6.668 1.00 31.41 C ATOM 865 C ALA A 51 10.563 5.834 5.906 1.00 25.44 C ATOM 866 O ALA A 51 11.345 5.651 4.970 1.00 43.43 O ATOM 867 CB ALA A 51 11.319 8.242 5.919 1.00 23.43 C ATOM 0 HA ALA A 51 9.481 7.473 6.729 1.00 31.41 H new ATOM 0 HB1 ALA A 51 10.936 8.333 4.903 1.00 23.43 H new ATOM 0 HB2 ALA A 51 11.216 9.198 6.433 1.00 23.43 H new ATOM 0 HB3 ALA A 51 12.371 7.959 5.886 1.00 23.43 H new ATOM 873 N THR A 52 9.716 4.896 6.325 1.00 43.32 N ATOM 874 CA THR A 52 9.612 3.588 5.666 1.00 33.44 C ATOM 875 C THR A 52 8.215 3.380 5.069 1.00 64.02 C ATOM 876 O THR A 52 7.202 3.612 5.736 1.00 2.10 O ATOM 877 CB THR A 52 9.909 2.429 6.653 1.00 11.22 C ATOM 878 OG1 THR A 52 11.211 2.600 7.237 1.00 72.32 O ATOM 879 CG2 THR A 52 9.843 1.074 5.951 1.00 63.53 C ATOM 0 H THR A 52 9.088 5.014 7.120 1.00 43.32 H new ATOM 0 HA THR A 52 10.355 3.579 4.869 1.00 33.44 H new ATOM 0 HB THR A 52 9.149 2.453 7.434 1.00 11.22 H new ATOM 0 HG1 THR A 52 11.389 1.865 7.860 1.00 72.32 H new ATOM 0 HG21 THR A 52 10.056 0.282 6.669 1.00 63.53 H new ATOM 0 HG22 THR A 52 8.846 0.928 5.534 1.00 63.53 H new ATOM 0 HG23 THR A 52 10.580 1.044 5.148 1.00 63.53 H new ATOM 887 N ILE A 53 8.168 2.951 3.811 1.00 61.13 N ATOM 888 CA ILE A 53 6.904 2.670 3.121 1.00 24.32 C ATOM 889 C ILE A 53 6.806 1.182 2.753 1.00 23.04 C ATOM 890 O ILE A 53 7.709 0.626 2.128 1.00 1.20 O ATOM 891 CB ILE A 53 6.764 3.524 1.834 1.00 1.50 C ATOM 892 CG1 ILE A 53 6.817 5.025 2.175 1.00 1.31 C ATOM 893 CG2 ILE A 53 5.471 3.182 1.092 1.00 64.32 C ATOM 894 CD1 ILE A 53 6.625 5.938 0.981 1.00 11.31 C ATOM 0 H ILE A 53 8.998 2.788 3.240 1.00 61.13 H new ATOM 0 HA ILE A 53 6.096 2.929 3.805 1.00 24.32 H new ATOM 0 HB ILE A 53 7.601 3.291 1.176 1.00 1.50 H new ATOM 0 HG12 ILE A 53 6.048 5.246 2.915 1.00 1.31 H new ATOM 0 HG13 ILE A 53 7.778 5.248 2.638 1.00 1.31 H new ATOM 0 HG21 ILE A 53 5.395 3.794 0.193 1.00 64.32 H new ATOM 0 HG22 ILE A 53 5.479 2.128 0.814 1.00 64.32 H new ATOM 0 HG23 ILE A 53 4.617 3.380 1.739 1.00 64.32 H new ATOM 0 HD11 ILE A 53 6.676 6.977 1.306 1.00 11.31 H new ATOM 0 HD12 ILE A 53 7.409 5.748 0.248 1.00 11.31 H new ATOM 0 HD13 ILE A 53 5.652 5.746 0.529 1.00 11.31 H new ATOM 906 N VAL A 54 5.707 0.537 3.139 1.00 0.44 N ATOM 907 CA VAL A 54 5.518 -0.891 2.865 1.00 33.02 C ATOM 908 C VAL A 54 4.574 -1.117 1.667 1.00 54.21 C ATOM 909 O VAL A 54 3.367 -0.877 1.742 1.00 23.41 O ATOM 910 CB VAL A 54 5.002 -1.648 4.122 1.00 53.10 C ATOM 911 CG1 VAL A 54 3.757 -0.980 4.701 1.00 4.15 C ATOM 912 CG2 VAL A 54 4.737 -3.119 3.801 1.00 23.24 C ATOM 0 H VAL A 54 4.935 0.976 3.641 1.00 0.44 H new ATOM 0 HA VAL A 54 6.494 -1.299 2.604 1.00 33.02 H new ATOM 0 HB VAL A 54 5.783 -1.603 4.881 1.00 53.10 H new ATOM 0 HG11 VAL A 54 3.422 -1.533 5.578 1.00 4.15 H new ATOM 0 HG12 VAL A 54 3.994 0.045 4.987 1.00 4.15 H new ATOM 0 HG13 VAL A 54 2.966 -0.974 3.952 1.00 4.15 H new ATOM 0 HG21 VAL A 54 4.377 -3.627 4.695 1.00 23.24 H new ATOM 0 HG22 VAL A 54 3.985 -3.190 3.016 1.00 23.24 H new ATOM 0 HG23 VAL A 54 5.660 -3.590 3.463 1.00 23.24 H new ATOM 922 N VAL A 55 5.144 -1.569 0.554 1.00 33.55 N ATOM 923 CA VAL A 55 4.384 -1.809 -0.677 1.00 23.42 C ATOM 924 C VAL A 55 4.051 -3.300 -0.846 1.00 61.34 C ATOM 925 O VAL A 55 4.932 -4.117 -1.124 1.00 74.35 O ATOM 926 CB VAL A 55 5.174 -1.322 -1.920 1.00 74.12 C ATOM 927 CG1 VAL A 55 4.344 -1.490 -3.193 1.00 11.53 C ATOM 928 CG2 VAL A 55 5.620 0.129 -1.745 1.00 3.13 C ATOM 0 H VAL A 55 6.139 -1.779 0.476 1.00 33.55 H new ATOM 0 HA VAL A 55 3.455 -1.245 -0.595 1.00 23.42 H new ATOM 0 HB VAL A 55 6.067 -1.939 -2.018 1.00 74.12 H new ATOM 0 HG11 VAL A 55 4.919 -1.142 -4.051 1.00 11.53 H new ATOM 0 HG12 VAL A 55 4.093 -2.542 -3.327 1.00 11.53 H new ATOM 0 HG13 VAL A 55 3.427 -0.906 -3.109 1.00 11.53 H new ATOM 0 HG21 VAL A 55 6.172 0.449 -2.629 1.00 3.13 H new ATOM 0 HG22 VAL A 55 4.745 0.765 -1.614 1.00 3.13 H new ATOM 0 HG23 VAL A 55 6.262 0.209 -0.868 1.00 3.13 H new ATOM 938 N VAL A 56 2.780 -3.653 -0.678 1.00 35.30 N ATOM 939 CA VAL A 56 2.344 -5.047 -0.795 1.00 22.22 C ATOM 940 C VAL A 56 1.919 -5.382 -2.233 1.00 70.22 C ATOM 941 O VAL A 56 0.844 -4.983 -2.688 1.00 33.34 O ATOM 942 CB VAL A 56 1.175 -5.361 0.176 1.00 44.12 C ATOM 943 CG1 VAL A 56 0.790 -6.838 0.102 1.00 51.04 C ATOM 944 CG2 VAL A 56 1.537 -4.960 1.606 1.00 60.11 C ATOM 0 H VAL A 56 2.031 -2.995 -0.460 1.00 35.30 H new ATOM 0 HA VAL A 56 3.199 -5.667 -0.526 1.00 22.22 H new ATOM 0 HB VAL A 56 0.310 -4.773 -0.130 1.00 44.12 H new ATOM 0 HG11 VAL A 56 -0.031 -7.035 0.791 1.00 51.04 H new ATOM 0 HG12 VAL A 56 0.478 -7.082 -0.913 1.00 51.04 H new ATOM 0 HG13 VAL A 56 1.648 -7.452 0.376 1.00 51.04 H new ATOM 0 HG21 VAL A 56 0.704 -5.189 2.270 1.00 60.11 H new ATOM 0 HG22 VAL A 56 2.419 -5.514 1.927 1.00 60.11 H new ATOM 0 HG23 VAL A 56 1.747 -3.891 1.642 1.00 60.11 H new ATOM 954 N VAL A 57 2.776 -6.104 -2.948 1.00 0.23 N ATOM 955 CA VAL A 57 2.479 -6.529 -4.316 1.00 63.52 C ATOM 956 C VAL A 57 1.693 -7.847 -4.306 1.00 23.23 C ATOM 957 O VAL A 57 2.208 -8.890 -3.894 1.00 4.31 O ATOM 958 CB VAL A 57 3.776 -6.706 -5.140 1.00 53.35 C ATOM 959 CG1 VAL A 57 3.454 -7.040 -6.597 1.00 13.01 C ATOM 960 CG2 VAL A 57 4.646 -5.453 -5.044 1.00 2.40 C ATOM 0 H VAL A 57 3.686 -6.409 -2.603 1.00 0.23 H new ATOM 0 HA VAL A 57 1.875 -5.750 -4.782 1.00 63.52 H new ATOM 0 HB VAL A 57 4.337 -7.542 -4.723 1.00 53.35 H new ATOM 0 HG11 VAL A 57 4.382 -7.160 -7.156 1.00 13.01 H new ATOM 0 HG12 VAL A 57 2.882 -7.967 -6.640 1.00 13.01 H new ATOM 0 HG13 VAL A 57 2.868 -6.232 -7.035 1.00 13.01 H new ATOM 0 HG21 VAL A 57 5.554 -5.595 -5.630 1.00 2.40 H new ATOM 0 HG22 VAL A 57 4.094 -4.597 -5.432 1.00 2.40 H new ATOM 0 HG23 VAL A 57 4.911 -5.273 -4.002 1.00 2.40 H new ATOM 970 N VAL A 58 0.443 -7.797 -4.751 1.00 50.52 N ATOM 971 CA VAL A 58 -0.448 -8.953 -4.662 1.00 55.22 C ATOM 972 C VAL A 58 -0.700 -9.606 -6.032 1.00 45.11 C ATOM 973 O VAL A 58 -1.008 -8.933 -7.015 1.00 34.11 O ATOM 974 CB VAL A 58 -1.803 -8.558 -4.013 1.00 44.11 C ATOM 975 CG1 VAL A 58 -1.577 -7.963 -2.625 1.00 4.41 C ATOM 976 CG2 VAL A 58 -2.578 -7.579 -4.896 1.00 14.14 C ATOM 0 H VAL A 58 0.022 -6.971 -5.177 1.00 50.52 H new ATOM 0 HA VAL A 58 0.056 -9.686 -4.032 1.00 55.22 H new ATOM 0 HB VAL A 58 -2.402 -9.463 -3.912 1.00 44.11 H new ATOM 0 HG11 VAL A 58 -2.537 -7.692 -2.185 1.00 4.41 H new ATOM 0 HG12 VAL A 58 -1.081 -8.698 -1.990 1.00 4.41 H new ATOM 0 HG13 VAL A 58 -0.952 -7.074 -2.708 1.00 4.41 H new ATOM 0 HG21 VAL A 58 -3.521 -7.322 -4.414 1.00 14.14 H new ATOM 0 HG22 VAL A 58 -1.987 -6.675 -5.042 1.00 14.14 H new ATOM 0 HG23 VAL A 58 -2.779 -8.041 -5.863 1.00 14.14 H new ATOM 986 N ASP A 59 -0.548 -10.926 -6.086 1.00 65.13 N ATOM 987 CA ASP A 59 -0.896 -11.703 -7.278 1.00 3.52 C ATOM 988 C ASP A 59 -2.286 -12.341 -7.116 1.00 11.43 C ATOM 989 O ASP A 59 -3.023 -12.535 -8.088 1.00 22.53 O ATOM 990 CB ASP A 59 0.176 -12.772 -7.550 1.00 1.33 C ATOM 991 CG ASP A 59 0.368 -13.759 -6.402 1.00 53.13 C ATOM 992 OD1 ASP A 59 0.061 -13.418 -5.239 1.00 1.14 O ATOM 993 OD2 ASP A 59 0.851 -14.883 -6.663 1.00 14.52 O ATOM 0 H ASP A 59 -0.184 -11.485 -5.315 1.00 65.13 H new ATOM 0 HA ASP A 59 -0.932 -11.033 -8.137 1.00 3.52 H new ATOM 0 HB2 ASP A 59 -0.095 -13.324 -8.450 1.00 1.33 H new ATOM 0 HB3 ASP A 59 1.126 -12.277 -7.754 1.00 1.33 H new ATOM 998 N ASP A 60 -2.628 -12.681 -5.876 1.00 1.23 N ATOM 999 CA ASP A 60 -3.972 -13.146 -5.535 1.00 53.21 C ATOM 1000 C ASP A 60 -4.761 -12.054 -4.799 1.00 12.24 C ATOM 1001 O ASP A 60 -4.287 -11.494 -3.808 1.00 41.01 O ATOM 1002 CB ASP A 60 -3.907 -14.407 -4.669 1.00 4.55 C ATOM 1003 CG ASP A 60 -3.366 -15.604 -5.424 1.00 41.31 C ATOM 1004 OD1 ASP A 60 -3.804 -15.832 -6.570 1.00 31.42 O ATOM 1005 OD2 ASP A 60 -2.530 -16.338 -4.867 1.00 50.34 O ATOM 0 H ASP A 60 -1.987 -12.643 -5.083 1.00 1.23 H new ATOM 0 HA ASP A 60 -4.486 -13.382 -6.467 1.00 53.21 H new ATOM 0 HB2 ASP A 60 -3.277 -14.215 -3.800 1.00 4.55 H new ATOM 0 HB3 ASP A 60 -4.904 -14.638 -4.295 1.00 4.55 H new ATOM 1010 N LYS A 61 -5.971 -11.769 -5.276 1.00 71.51 N ATOM 1011 CA LYS A 61 -6.837 -10.766 -4.644 1.00 11.10 C ATOM 1012 C LYS A 61 -7.095 -11.133 -3.168 1.00 32.14 C ATOM 1013 O LYS A 61 -7.168 -10.260 -2.298 1.00 31.20 O ATOM 1014 CB LYS A 61 -8.156 -10.652 -5.439 1.00 63.34 C ATOM 1015 CG LYS A 61 -8.942 -9.355 -5.202 1.00 3.33 C ATOM 1016 CD LYS A 61 -9.858 -9.413 -3.978 1.00 21.11 C ATOM 1017 CE LYS A 61 -10.975 -10.440 -4.150 1.00 33.24 C ATOM 1018 NZ LYS A 61 -12.014 -10.310 -3.095 1.00 44.51 N ATOM 0 H LYS A 61 -6.377 -12.216 -6.098 1.00 71.51 H new ATOM 0 HA LYS A 61 -6.342 -9.795 -4.657 1.00 11.10 H new ATOM 0 HB2 LYS A 61 -7.931 -10.734 -6.502 1.00 63.34 H new ATOM 0 HB3 LYS A 61 -8.793 -11.498 -5.182 1.00 63.34 H new ATOM 0 HG2 LYS A 61 -8.239 -8.530 -5.082 1.00 3.33 H new ATOM 0 HG3 LYS A 61 -9.542 -9.136 -6.085 1.00 3.33 H new ATOM 0 HD2 LYS A 61 -9.269 -9.662 -3.095 1.00 21.11 H new ATOM 0 HD3 LYS A 61 -10.293 -8.429 -3.804 1.00 21.11 H new ATOM 0 HE2 LYS A 61 -11.435 -10.315 -5.130 1.00 33.24 H new ATOM 0 HE3 LYS A 61 -10.552 -11.444 -4.122 1.00 33.24 H new ATOM 0 HZ1 LYS A 61 -12.186 -11.239 -2.661 1.00 44.51 H new ATOM 0 HZ2 LYS A 61 -11.688 -9.643 -2.367 1.00 44.51 H new ATOM 0 HZ3 LYS A 61 -12.896 -9.957 -3.518 1.00 44.51 H new ATOM 1032 N GLU A 62 -7.198 -12.436 -2.896 1.00 24.41 N ATOM 1033 CA GLU A 62 -7.336 -12.949 -1.524 1.00 11.33 C ATOM 1034 C GLU A 62 -6.173 -12.492 -0.622 1.00 24.20 C ATOM 1035 O GLU A 62 -6.371 -12.193 0.555 1.00 35.04 O ATOM 1036 CB GLU A 62 -7.393 -14.486 -1.543 1.00 13.52 C ATOM 1037 CG GLU A 62 -6.173 -15.129 -2.195 1.00 1.00 C ATOM 1038 CD GLU A 62 -6.134 -16.640 -2.050 1.00 45.40 C ATOM 1039 OE1 GLU A 62 -6.850 -17.336 -2.794 1.00 54.35 O ATOM 1040 OE2 GLU A 62 -5.364 -17.141 -1.203 1.00 52.32 O ATOM 0 H GLU A 62 -7.189 -13.163 -3.612 1.00 24.41 H new ATOM 0 HA GLU A 62 -8.262 -12.545 -1.114 1.00 11.33 H new ATOM 0 HB2 GLU A 62 -7.484 -14.852 -0.520 1.00 13.52 H new ATOM 0 HB3 GLU A 62 -8.290 -14.802 -2.076 1.00 13.52 H new ATOM 0 HG2 GLU A 62 -6.160 -14.873 -3.254 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -5.270 -14.706 -1.754 1.00 1.00 H new ATOM 1047 N TRP A 63 -4.960 -12.443 -1.182 1.00 64.23 N ATOM 1048 CA TRP A 63 -3.767 -12.033 -0.428 1.00 30.20 C ATOM 1049 C TRP A 63 -3.870 -10.565 0.027 1.00 51.22 C ATOM 1050 O TRP A 63 -3.521 -10.235 1.161 1.00 52.33 O ATOM 1051 CB TRP A 63 -2.500 -12.266 -1.274 1.00 12.20 C ATOM 1052 CG TRP A 63 -1.242 -11.657 -0.707 1.00 35.34 C ATOM 1053 CD1 TRP A 63 -0.299 -10.956 -1.401 1.00 22.34 C ATOM 1054 CD2 TRP A 63 -0.786 -11.694 0.657 1.00 65.45 C ATOM 1055 NE1 TRP A 63 0.703 -10.546 -0.560 1.00 25.20 N ATOM 1056 CE2 TRP A 63 0.430 -10.983 0.706 1.00 33.15 C ATOM 1057 CE3 TRP A 63 -1.289 -12.248 1.840 1.00 0.03 C ATOM 1058 CZ2 TRP A 63 1.148 -10.819 1.887 1.00 71.32 C ATOM 1059 CZ3 TRP A 63 -0.575 -12.081 3.010 1.00 50.44 C ATOM 1060 CH2 TRP A 63 0.631 -11.369 3.027 1.00 11.52 C ATOM 0 H TRP A 63 -4.777 -12.682 -2.156 1.00 64.23 H new ATOM 0 HA TRP A 63 -3.701 -12.646 0.471 1.00 30.20 H new ATOM 0 HB2 TRP A 63 -2.348 -13.339 -1.388 1.00 12.20 H new ATOM 0 HB3 TRP A 63 -2.666 -11.860 -2.272 1.00 12.20 H new ATOM 0 HD1 TRP A 63 -0.337 -10.753 -2.461 1.00 22.34 H new ATOM 0 HE1 TRP A 63 1.521 -10.002 -0.835 1.00 25.20 H new ATOM 0 HE3 TRP A 63 -2.219 -12.797 1.838 1.00 0.03 H new ATOM 0 HZ2 TRP A 63 2.081 -10.276 1.902 1.00 71.32 H new ATOM 0 HZ3 TRP A 63 -0.953 -12.507 3.928 1.00 50.44 H new ATOM 0 HH2 TRP A 63 1.163 -11.252 3.959 1.00 11.52 H new ATOM 1071 N ALA A 64 -4.364 -9.695 -0.852 1.00 3.10 N ATOM 1072 CA ALA A 64 -4.578 -8.285 -0.497 1.00 0.21 C ATOM 1073 C ALA A 64 -5.487 -8.154 0.736 1.00 61.10 C ATOM 1074 O ALA A 64 -5.191 -7.410 1.675 1.00 62.11 O ATOM 1075 CB ALA A 64 -5.176 -7.530 -1.681 1.00 71.55 C ATOM 0 H ALA A 64 -4.623 -9.935 -1.809 1.00 3.10 H new ATOM 0 HA ALA A 64 -3.611 -7.847 -0.248 1.00 0.21 H new ATOM 0 HB1 ALA A 64 -5.330 -6.486 -1.407 1.00 71.55 H new ATOM 0 HB2 ALA A 64 -4.494 -7.585 -2.530 1.00 71.55 H new ATOM 0 HB3 ALA A 64 -6.131 -7.979 -1.954 1.00 71.55 H new ATOM 1081 N GLU A 65 -6.586 -8.903 0.728 1.00 41.32 N ATOM 1082 CA GLU A 65 -7.539 -8.909 1.842 1.00 13.54 C ATOM 1083 C GLU A 65 -6.921 -9.554 3.096 1.00 71.42 C ATOM 1084 O GLU A 65 -7.127 -9.086 4.220 1.00 3.05 O ATOM 1085 CB GLU A 65 -8.808 -9.669 1.427 1.00 10.13 C ATOM 1086 CG GLU A 65 -9.427 -9.154 0.129 1.00 40.35 C ATOM 1087 CD GLU A 65 -10.579 -10.015 -0.370 1.00 61.22 C ATOM 1088 OE1 GLU A 65 -10.334 -11.169 -0.779 1.00 52.43 O ATOM 1089 OE2 GLU A 65 -11.730 -9.537 -0.392 1.00 73.15 O ATOM 0 H GLU A 65 -6.843 -9.520 -0.043 1.00 41.32 H new ATOM 0 HA GLU A 65 -7.795 -7.878 2.086 1.00 13.54 H new ATOM 0 HB2 GLU A 65 -8.568 -10.726 1.312 1.00 10.13 H new ATOM 0 HB3 GLU A 65 -9.545 -9.595 2.227 1.00 10.13 H new ATOM 0 HG2 GLU A 65 -9.784 -8.136 0.283 1.00 40.35 H new ATOM 0 HG3 GLU A 65 -8.656 -9.109 -0.640 1.00 40.35 H new ATOM 1096 N LYS A 66 -6.164 -10.629 2.892 1.00 53.12 N ATOM 1097 CA LYS A 66 -5.503 -11.341 3.991 1.00 72.43 C ATOM 1098 C LYS A 66 -4.456 -10.450 4.684 1.00 61.11 C ATOM 1099 O LYS A 66 -4.283 -10.505 5.904 1.00 52.23 O ATOM 1100 CB LYS A 66 -4.849 -12.623 3.458 1.00 64.41 C ATOM 1101 CG LYS A 66 -4.210 -13.501 4.531 1.00 64.43 C ATOM 1102 CD LYS A 66 -3.720 -14.819 3.939 1.00 22.22 C ATOM 1103 CE LYS A 66 -3.118 -15.747 4.988 1.00 73.30 C ATOM 1104 NZ LYS A 66 -2.787 -17.076 4.411 1.00 23.31 N ATOM 0 H LYS A 66 -5.990 -11.031 1.971 1.00 53.12 H new ATOM 0 HA LYS A 66 -6.256 -11.604 4.734 1.00 72.43 H new ATOM 0 HB2 LYS A 66 -5.602 -13.207 2.929 1.00 64.41 H new ATOM 0 HB3 LYS A 66 -4.087 -12.351 2.728 1.00 64.41 H new ATOM 0 HG2 LYS A 66 -3.375 -12.971 4.989 1.00 64.43 H new ATOM 0 HG3 LYS A 66 -4.934 -13.700 5.321 1.00 64.43 H new ATOM 0 HD2 LYS A 66 -4.552 -15.324 3.448 1.00 22.22 H new ATOM 0 HD3 LYS A 66 -2.974 -14.613 3.171 1.00 22.22 H new ATOM 0 HE2 LYS A 66 -2.217 -15.294 5.403 1.00 73.30 H new ATOM 0 HE3 LYS A 66 -3.821 -15.871 5.812 1.00 73.30 H new ATOM 0 HZ1 LYS A 66 -2.379 -17.684 5.150 1.00 23.31 H new ATOM 0 HZ2 LYS A 66 -3.651 -17.517 4.038 1.00 23.31 H new ATOM 0 HZ3 LYS A 66 -2.098 -16.958 3.641 1.00 23.31 H new ATOM 1118 N ALA A 67 -3.771 -9.623 3.896 1.00 1.44 N ATOM 1119 CA ALA A 67 -2.812 -8.654 4.434 1.00 72.23 C ATOM 1120 C ALA A 67 -3.495 -7.697 5.427 1.00 34.11 C ATOM 1121 O ALA A 67 -2.989 -7.455 6.523 1.00 63.22 O ATOM 1122 CB ALA A 67 -2.156 -7.872 3.298 1.00 23.33 C ATOM 0 H ALA A 67 -3.861 -9.603 2.880 1.00 1.44 H new ATOM 0 HA ALA A 67 -2.038 -9.201 4.973 1.00 72.23 H new ATOM 0 HB1 ALA A 67 -1.446 -7.156 3.712 1.00 23.33 H new ATOM 0 HB2 ALA A 67 -1.632 -8.562 2.637 1.00 23.33 H new ATOM 0 HB3 ALA A 67 -2.921 -7.339 2.734 1.00 23.33 H new ATOM 1128 N ILE A 68 -4.659 -7.172 5.042 1.00 43.15 N ATOM 1129 CA ILE A 68 -5.439 -6.285 5.916 1.00 21.51 C ATOM 1130 C ILE A 68 -5.867 -7.012 7.204 1.00 61.34 C ATOM 1131 O ILE A 68 -5.901 -6.421 8.283 1.00 43.35 O ATOM 1132 CB ILE A 68 -6.694 -5.731 5.190 1.00 43.24 C ATOM 1133 CG1 ILE A 68 -6.288 -5.008 3.890 1.00 64.14 C ATOM 1134 CG2 ILE A 68 -7.485 -4.794 6.105 1.00 15.14 C ATOM 1135 CD1 ILE A 68 -5.325 -3.855 4.096 1.00 63.54 C ATOM 0 H ILE A 68 -5.085 -7.344 4.131 1.00 43.15 H new ATOM 0 HA ILE A 68 -4.792 -5.448 6.179 1.00 21.51 H new ATOM 0 HB ILE A 68 -7.338 -6.572 4.932 1.00 43.24 H new ATOM 0 HG12 ILE A 68 -5.833 -5.730 3.212 1.00 64.14 H new ATOM 0 HG13 ILE A 68 -7.187 -4.633 3.400 1.00 64.14 H new ATOM 0 HG21 ILE A 68 -8.360 -4.419 5.573 1.00 15.14 H new ATOM 0 HG22 ILE A 68 -7.806 -5.338 6.993 1.00 15.14 H new ATOM 0 HG23 ILE A 68 -6.854 -3.956 6.401 1.00 15.14 H new ATOM 0 HD11 ILE A 68 -5.090 -3.401 3.133 1.00 63.54 H new ATOM 0 HD12 ILE A 68 -5.783 -3.110 4.747 1.00 63.54 H new ATOM 0 HD13 ILE A 68 -4.409 -4.224 4.556 1.00 63.54 H new ATOM 1147 N ARG A 69 -6.184 -8.301 7.080 1.00 34.41 N ATOM 1148 CA ARG A 69 -6.509 -9.144 8.241 1.00 64.23 C ATOM 1149 C ARG A 69 -5.348 -9.163 9.248 1.00 3.02 C ATOM 1150 O ARG A 69 -5.553 -9.066 10.462 1.00 15.20 O ATOM 1151 CB ARG A 69 -6.830 -10.571 7.766 1.00 71.35 C ATOM 1152 CG ARG A 69 -7.127 -11.583 8.874 1.00 3.43 C ATOM 1153 CD ARG A 69 -8.380 -11.228 9.679 1.00 32.23 C ATOM 1154 NE ARG A 69 -8.081 -10.411 10.858 1.00 62.21 N ATOM 1155 CZ ARG A 69 -8.961 -9.655 11.461 1.00 74.25 C ATOM 1156 NH1 ARG A 69 -10.132 -9.478 10.947 1.00 63.11 N ATOM 1157 NH2 ARG A 69 -8.658 -9.062 12.564 1.00 50.13 N ATOM 0 H ARG A 69 -6.224 -8.790 6.186 1.00 34.41 H new ATOM 0 HA ARG A 69 -7.381 -8.727 8.744 1.00 64.23 H new ATOM 0 HB2 ARG A 69 -7.690 -10.528 7.097 1.00 71.35 H new ATOM 0 HB3 ARG A 69 -5.988 -10.938 7.179 1.00 71.35 H new ATOM 0 HG2 ARG A 69 -7.252 -12.572 8.433 1.00 3.43 H new ATOM 0 HG3 ARG A 69 -6.272 -11.640 9.547 1.00 3.43 H new ATOM 0 HD2 ARG A 69 -9.079 -10.691 9.038 1.00 32.23 H new ATOM 0 HD3 ARG A 69 -8.877 -12.146 9.994 1.00 32.23 H new ATOM 0 HE ARG A 69 -7.131 -10.433 11.230 1.00 62.21 H new ATOM 0 HH11 ARG A 69 -10.375 -9.929 10.065 1.00 63.11 H new ATOM 0 HH12 ARG A 69 -10.814 -8.887 11.423 1.00 63.11 H new ATOM 0 HH21 ARG A 69 -7.730 -9.182 12.969 1.00 50.13 H new ATOM 0 HH22 ARG A 69 -9.347 -8.473 13.032 1.00 50.13 H new ATOM 1171 N PHE A 70 -4.125 -9.277 8.735 1.00 55.03 N ATOM 1172 CA PHE A 70 -2.928 -9.239 9.581 1.00 32.24 C ATOM 1173 C PHE A 70 -2.727 -7.839 10.191 1.00 61.42 C ATOM 1174 O PHE A 70 -2.421 -7.707 11.376 1.00 21.13 O ATOM 1175 CB PHE A 70 -1.693 -9.652 8.769 1.00 21.30 C ATOM 1176 CG PHE A 70 -0.441 -9.809 9.603 1.00 75.14 C ATOM 1177 CD1 PHE A 70 -0.227 -10.963 10.349 1.00 4.54 C ATOM 1178 CD2 PHE A 70 0.523 -8.808 9.642 1.00 74.24 C ATOM 1179 CE1 PHE A 70 0.915 -11.113 11.113 1.00 52.03 C ATOM 1180 CE2 PHE A 70 1.667 -8.956 10.407 1.00 53.32 C ATOM 1181 CZ PHE A 70 1.861 -10.110 11.142 1.00 12.13 C ATOM 0 H PHE A 70 -3.934 -9.396 7.740 1.00 55.03 H new ATOM 0 HA PHE A 70 -3.065 -9.946 10.399 1.00 32.24 H new ATOM 0 HB2 PHE A 70 -1.901 -10.594 8.262 1.00 21.30 H new ATOM 0 HB3 PHE A 70 -1.512 -8.906 7.995 1.00 21.30 H new ATOM 0 HD1 PHE A 70 -0.963 -11.753 10.331 1.00 4.54 H new ATOM 0 HD2 PHE A 70 0.378 -7.904 9.069 1.00 74.24 H new ATOM 0 HE1 PHE A 70 1.066 -12.015 11.687 1.00 52.03 H new ATOM 0 HE2 PHE A 70 2.407 -8.170 10.429 1.00 53.32 H new ATOM 0 HZ PHE A 70 2.753 -10.226 11.739 1.00 12.13 H new ATOM 1191 N VAL A 71 -2.919 -6.798 9.377 1.00 32.14 N ATOM 1192 CA VAL A 71 -2.781 -5.410 9.844 1.00 62.33 C ATOM 1193 C VAL A 71 -3.802 -5.078 10.951 1.00 73.21 C ATOM 1194 O VAL A 71 -3.478 -4.397 11.928 1.00 21.22 O ATOM 1195 CB VAL A 71 -2.937 -4.400 8.675 1.00 1.25 C ATOM 1196 CG1 VAL A 71 -2.832 -2.961 9.180 1.00 11.42 C ATOM 1197 CG2 VAL A 71 -1.899 -4.667 7.583 1.00 30.45 C ATOM 0 H VAL A 71 -3.170 -6.886 8.392 1.00 32.14 H new ATOM 0 HA VAL A 71 -1.777 -5.319 10.257 1.00 62.33 H new ATOM 0 HB VAL A 71 -3.928 -4.536 8.243 1.00 1.25 H new ATOM 0 HG11 VAL A 71 -2.944 -2.272 8.343 1.00 11.42 H new ATOM 0 HG12 VAL A 71 -3.618 -2.774 9.912 1.00 11.42 H new ATOM 0 HG13 VAL A 71 -1.859 -2.809 9.646 1.00 11.42 H new ATOM 0 HG21 VAL A 71 -2.028 -3.947 6.775 1.00 30.45 H new ATOM 0 HG22 VAL A 71 -0.897 -4.568 8.001 1.00 30.45 H new ATOM 0 HG23 VAL A 71 -2.031 -5.677 7.194 1.00 30.45 H new ATOM 1207 N LYS A 72 -5.030 -5.572 10.803 1.00 62.43 N ATOM 1208 CA LYS A 72 -6.077 -5.359 11.812 1.00 21.03 C ATOM 1209 C LYS A 72 -5.633 -5.931 13.170 1.00 62.34 C ATOM 1210 O LYS A 72 -5.953 -5.381 14.226 1.00 40.20 O ATOM 1211 CB LYS A 72 -7.402 -6.002 11.351 1.00 5.50 C ATOM 1212 CG LYS A 72 -8.663 -5.419 12.008 1.00 61.21 C ATOM 1213 CD LYS A 72 -8.818 -5.834 13.471 1.00 30.31 C ATOM 1214 CE LYS A 72 -10.051 -5.211 14.116 1.00 4.21 C ATOM 1215 NZ LYS A 72 -10.190 -5.606 15.545 1.00 64.22 N ATOM 0 H LYS A 72 -5.328 -6.122 9.997 1.00 62.43 H new ATOM 0 HA LYS A 72 -6.240 -4.288 11.930 1.00 21.03 H new ATOM 0 HB2 LYS A 72 -7.487 -5.890 10.270 1.00 5.50 H new ATOM 0 HB3 LYS A 72 -7.362 -7.071 11.558 1.00 5.50 H new ATOM 0 HG2 LYS A 72 -8.629 -4.331 11.946 1.00 61.21 H new ATOM 0 HG3 LYS A 72 -9.541 -5.743 11.449 1.00 61.21 H new ATOM 0 HD2 LYS A 72 -8.886 -6.920 13.534 1.00 30.31 H new ATOM 0 HD3 LYS A 72 -7.929 -5.537 14.028 1.00 30.31 H new ATOM 0 HE2 LYS A 72 -9.989 -4.125 14.044 1.00 4.21 H new ATOM 0 HE3 LYS A 72 -10.942 -5.516 13.567 1.00 4.21 H new ATOM 0 HZ1 LYS A 72 -11.040 -5.162 15.947 1.00 64.22 H new ATOM 0 HZ2 LYS A 72 -10.275 -6.640 15.613 1.00 64.22 H new ATOM 0 HZ3 LYS A 72 -9.352 -5.292 16.075 1.00 64.22 H new ATOM 1229 N SER A 73 -4.869 -7.023 13.129 1.00 34.45 N ATOM 1230 CA SER A 73 -4.338 -7.654 14.351 1.00 34.43 C ATOM 1231 C SER A 73 -3.525 -6.657 15.192 1.00 14.30 C ATOM 1232 O SER A 73 -3.411 -6.805 16.408 1.00 35.23 O ATOM 1233 CB SER A 73 -3.453 -8.860 13.996 1.00 32.52 C ATOM 1234 OG SER A 73 -4.156 -9.808 13.200 1.00 60.20 O ATOM 0 H SER A 73 -4.600 -7.494 12.265 1.00 34.45 H new ATOM 0 HA SER A 73 -5.192 -7.989 14.939 1.00 34.43 H new ATOM 0 HB2 SER A 73 -2.568 -8.518 13.459 1.00 32.52 H new ATOM 0 HB3 SER A 73 -3.105 -9.339 14.911 1.00 32.52 H new ATOM 0 HG SER A 73 -3.565 -10.561 12.990 1.00 60.20 H new ATOM 1240 N LEU A 74 -2.962 -5.644 14.532 1.00 72.33 N ATOM 1241 CA LEU A 74 -2.173 -4.607 15.208 1.00 62.11 C ATOM 1242 C LEU A 74 -3.074 -3.628 15.980 1.00 32.04 C ATOM 1243 O LEU A 74 -2.755 -3.221 17.099 1.00 34.25 O ATOM 1244 CB LEU A 74 -1.348 -3.826 14.180 1.00 73.41 C ATOM 1245 CG LEU A 74 -0.460 -4.679 13.262 1.00 53.32 C ATOM 1246 CD1 LEU A 74 0.182 -3.814 12.179 1.00 61.54 C ATOM 1247 CD2 LEU A 74 0.601 -5.424 14.071 1.00 31.40 C ATOM 0 H LEU A 74 -3.037 -5.517 13.523 1.00 72.33 H new ATOM 0 HA LEU A 74 -1.513 -5.104 15.919 1.00 62.11 H new ATOM 0 HB2 LEU A 74 -2.029 -3.244 13.559 1.00 73.41 H new ATOM 0 HB3 LEU A 74 -0.715 -3.116 14.712 1.00 73.41 H new ATOM 0 HG LEU A 74 -1.089 -5.422 12.772 1.00 53.32 H new ATOM 0 HD11 LEU A 74 0.807 -4.437 11.539 1.00 61.54 H new ATOM 0 HD12 LEU A 74 -0.597 -3.344 11.579 1.00 61.54 H new ATOM 0 HD13 LEU A 74 0.795 -3.043 12.645 1.00 61.54 H new ATOM 0 HD21 LEU A 74 1.218 -6.021 13.399 1.00 31.40 H new ATOM 0 HD22 LEU A 74 1.229 -4.705 14.597 1.00 31.40 H new ATOM 0 HD23 LEU A 74 0.114 -6.078 14.794 1.00 31.40 H new ATOM 1259 N GLY A 75 -4.188 -3.234 15.359 1.00 74.30 N ATOM 1260 CA GLY A 75 -5.115 -2.286 15.979 1.00 35.24 C ATOM 1261 C GLY A 75 -4.735 -0.821 15.750 1.00 64.35 C ATOM 1262 O GLY A 75 -5.534 0.086 16.009 1.00 53.55 O ATOM 0 H GLY A 75 -4.469 -3.555 14.432 1.00 74.30 H new ATOM 0 HA2 GLY A 75 -6.116 -2.459 15.585 1.00 35.24 H new ATOM 0 HA3 GLY A 75 -5.156 -2.479 17.051 1.00 35.24 H new ATOM 1266 N ALA A 76 -3.522 -0.589 15.252 1.00 3.43 N ATOM 1267 CA ALA A 76 -3.012 0.770 15.035 1.00 40.02 C ATOM 1268 C ALA A 76 -3.533 1.381 13.724 1.00 20.30 C ATOM 1269 O ALA A 76 -3.468 0.754 12.665 1.00 32.44 O ATOM 1270 CB ALA A 76 -1.486 0.765 15.043 1.00 61.24 C ATOM 0 H ALA A 76 -2.868 -1.327 14.989 1.00 3.43 H new ATOM 0 HA ALA A 76 -3.378 1.391 15.852 1.00 40.02 H new ATOM 0 HB1 ALA A 76 -1.118 1.778 14.881 1.00 61.24 H new ATOM 0 HB2 ALA A 76 -1.128 0.398 16.005 1.00 61.24 H new ATOM 0 HB3 ALA A 76 -1.120 0.115 14.248 1.00 61.24 H new ATOM 1276 N GLN A 77 -4.055 2.604 13.808 1.00 53.14 N ATOM 1277 CA GLN A 77 -4.504 3.346 12.623 1.00 1.11 C ATOM 1278 C GLN A 77 -3.342 3.623 11.648 1.00 2.53 C ATOM 1279 O GLN A 77 -2.386 4.327 11.979 1.00 43.53 O ATOM 1280 CB GLN A 77 -5.174 4.669 13.045 1.00 33.13 C ATOM 1281 CG GLN A 77 -4.361 5.489 14.047 1.00 1.14 C ATOM 1282 CD GLN A 77 -4.995 6.833 14.367 1.00 32.44 C ATOM 1283 OE1 GLN A 77 -4.690 7.843 13.745 1.00 71.41 O ATOM 1284 NE2 GLN A 77 -5.897 6.855 15.329 1.00 74.22 N ATOM 0 H GLN A 77 -4.179 3.107 14.687 1.00 53.14 H new ATOM 0 HA GLN A 77 -5.232 2.726 12.101 1.00 1.11 H new ATOM 0 HB2 GLN A 77 -5.351 5.274 12.156 1.00 33.13 H new ATOM 0 HB3 GLN A 77 -6.149 4.448 13.479 1.00 33.13 H new ATOM 0 HG2 GLN A 77 -4.248 4.918 14.969 1.00 1.14 H new ATOM 0 HG3 GLN A 77 -3.360 5.651 13.648 1.00 1.14 H new ATOM 0 HE21 GLN A 77 -6.130 5.997 15.829 1.00 74.22 H new ATOM 0 HE22 GLN A 77 -6.362 7.730 15.573 1.00 74.22 H new ATOM 1293 N VAL A 78 -3.428 3.049 10.449 1.00 23.52 N ATOM 1294 CA VAL A 78 -2.411 3.239 9.406 1.00 13.14 C ATOM 1295 C VAL A 78 -3.049 3.717 8.091 1.00 73.22 C ATOM 1296 O VAL A 78 -4.241 3.508 7.858 1.00 43.52 O ATOM 1297 CB VAL A 78 -1.624 1.928 9.139 1.00 31.22 C ATOM 1298 CG1 VAL A 78 -0.953 1.430 10.418 1.00 74.01 C ATOM 1299 CG2 VAL A 78 -2.532 0.850 8.546 1.00 13.52 C ATOM 0 H VAL A 78 -4.199 2.442 10.170 1.00 23.52 H new ATOM 0 HA VAL A 78 -1.722 4.001 9.770 1.00 13.14 H new ATOM 0 HB VAL A 78 -0.846 2.147 8.408 1.00 31.22 H new ATOM 0 HG11 VAL A 78 -0.407 0.510 10.208 1.00 74.01 H new ATOM 0 HG12 VAL A 78 -0.260 2.188 10.784 1.00 74.01 H new ATOM 0 HG13 VAL A 78 -1.712 1.236 11.176 1.00 74.01 H new ATOM 0 HG21 VAL A 78 -1.953 -0.057 8.370 1.00 13.52 H new ATOM 0 HG22 VAL A 78 -3.342 0.634 9.242 1.00 13.52 H new ATOM 0 HG23 VAL A 78 -2.949 1.204 7.603 1.00 13.52 H new ATOM 1309 N LEU A 79 -2.253 4.351 7.234 1.00 31.22 N ATOM 1310 CA LEU A 79 -2.743 4.835 5.934 1.00 33.12 C ATOM 1311 C LEU A 79 -2.442 3.820 4.817 1.00 52.24 C ATOM 1312 O LEU A 79 -1.341 3.272 4.740 1.00 31.44 O ATOM 1313 CB LEU A 79 -2.116 6.199 5.605 1.00 52.20 C ATOM 1314 CG LEU A 79 -2.605 6.865 4.305 1.00 12.23 C ATOM 1315 CD1 LEU A 79 -4.125 7.034 4.308 1.00 3.24 C ATOM 1316 CD2 LEU A 79 -1.917 8.212 4.104 1.00 61.32 C ATOM 0 H LEU A 79 -1.267 4.544 7.410 1.00 31.22 H new ATOM 0 HA LEU A 79 -3.825 4.952 5.999 1.00 33.12 H new ATOM 0 HB2 LEU A 79 -2.312 6.878 6.435 1.00 52.20 H new ATOM 0 HB3 LEU A 79 -1.035 6.075 5.543 1.00 52.20 H new ATOM 0 HG LEU A 79 -2.342 6.212 3.473 1.00 12.23 H new ATOM 0 HD11 LEU A 79 -4.440 7.507 3.378 1.00 3.24 H new ATOM 0 HD12 LEU A 79 -4.600 6.057 4.398 1.00 3.24 H new ATOM 0 HD13 LEU A 79 -4.420 7.659 5.151 1.00 3.24 H new ATOM 0 HD21 LEU A 79 -2.274 8.669 3.181 1.00 61.32 H new ATOM 0 HD22 LEU A 79 -2.146 8.867 4.945 1.00 61.32 H new ATOM 0 HD23 LEU A 79 -0.839 8.064 4.042 1.00 61.32 H new ATOM 1328 N ILE A 80 -3.427 3.572 3.956 1.00 43.05 N ATOM 1329 CA ILE A 80 -3.309 2.570 2.888 1.00 11.15 C ATOM 1330 C ILE A 80 -3.617 3.179 1.508 1.00 31.21 C ATOM 1331 O ILE A 80 -4.474 4.050 1.383 1.00 24.01 O ATOM 1332 CB ILE A 80 -4.274 1.378 3.147 1.00 62.14 C ATOM 1333 CG1 ILE A 80 -4.009 0.762 4.532 1.00 12.12 C ATOM 1334 CG2 ILE A 80 -4.142 0.320 2.050 1.00 73.22 C ATOM 1335 CD1 ILE A 80 -4.965 -0.354 4.904 1.00 52.42 C ATOM 0 H ILE A 80 -4.326 4.054 3.975 1.00 43.05 H new ATOM 0 HA ILE A 80 -2.279 2.214 2.891 1.00 11.15 H new ATOM 0 HB ILE A 80 -5.296 1.757 3.128 1.00 62.14 H new ATOM 0 HG12 ILE A 80 -2.990 0.377 4.558 1.00 12.12 H new ATOM 0 HG13 ILE A 80 -4.072 1.547 5.286 1.00 12.12 H new ATOM 0 HG21 ILE A 80 -4.827 -0.503 2.254 1.00 73.22 H new ATOM 0 HG22 ILE A 80 -4.386 0.764 1.085 1.00 73.22 H new ATOM 0 HG23 ILE A 80 -3.119 -0.056 2.028 1.00 73.22 H new ATOM 0 HD11 ILE A 80 -4.712 -0.735 5.893 1.00 52.42 H new ATOM 0 HD12 ILE A 80 -5.986 0.029 4.913 1.00 52.42 H new ATOM 0 HD13 ILE A 80 -4.886 -1.159 4.174 1.00 52.42 H new ATOM 1347 N ILE A 81 -2.899 2.730 0.479 1.00 72.11 N ATOM 1348 CA ILE A 81 -3.143 3.162 -0.904 1.00 75.30 C ATOM 1349 C ILE A 81 -3.364 1.946 -1.820 1.00 51.23 C ATOM 1350 O ILE A 81 -2.513 1.061 -1.895 1.00 30.52 O ATOM 1351 CB ILE A 81 -1.959 3.998 -1.456 1.00 43.23 C ATOM 1352 CG1 ILE A 81 -1.703 5.227 -0.565 1.00 72.20 C ATOM 1353 CG2 ILE A 81 -2.225 4.428 -2.901 1.00 23.35 C ATOM 1354 CD1 ILE A 81 -0.505 6.050 -0.990 1.00 34.34 C ATOM 0 H ILE A 81 -2.135 2.061 0.575 1.00 72.11 H new ATOM 0 HA ILE A 81 -4.038 3.784 -0.893 1.00 75.30 H new ATOM 0 HB ILE A 81 -1.066 3.372 -1.445 1.00 43.23 H new ATOM 0 HG12 ILE A 81 -2.589 5.861 -0.573 1.00 72.20 H new ATOM 0 HG13 ILE A 81 -1.558 4.895 0.463 1.00 72.20 H new ATOM 0 HG21 ILE A 81 -1.382 5.013 -3.268 1.00 23.35 H new ATOM 0 HG22 ILE A 81 -2.353 3.544 -3.526 1.00 23.35 H new ATOM 0 HG23 ILE A 81 -3.131 5.033 -2.940 1.00 23.35 H new ATOM 0 HD11 ILE A 81 -0.388 6.898 -0.315 1.00 34.34 H new ATOM 0 HD12 ILE A 81 0.392 5.432 -0.954 1.00 34.34 H new ATOM 0 HD13 ILE A 81 -0.655 6.413 -2.007 1.00 34.34 H new ATOM 1366 N ILE A 82 -4.503 1.902 -2.504 1.00 72.32 N ATOM 1367 CA ILE A 82 -4.827 0.782 -3.401 1.00 53.15 C ATOM 1368 C ILE A 82 -4.666 1.190 -4.876 1.00 0.11 C ATOM 1369 O ILE A 82 -5.058 2.293 -5.267 1.00 14.23 O ATOM 1370 CB ILE A 82 -6.277 0.284 -3.163 1.00 42.32 C ATOM 1371 CG1 ILE A 82 -6.492 -0.053 -1.676 1.00 73.44 C ATOM 1372 CG2 ILE A 82 -6.584 -0.933 -4.039 1.00 42.14 C ATOM 1373 CD1 ILE A 82 -7.910 -0.470 -1.334 1.00 71.24 C ATOM 0 H ILE A 82 -5.221 2.625 -2.459 1.00 72.32 H new ATOM 0 HA ILE A 82 -4.129 -0.025 -3.178 1.00 53.15 H new ATOM 0 HB ILE A 82 -6.963 1.084 -3.440 1.00 42.32 H new ATOM 0 HG12 ILE A 82 -5.811 -0.856 -1.394 1.00 73.44 H new ATOM 0 HG13 ILE A 82 -6.226 0.817 -1.075 1.00 73.44 H new ATOM 0 HG21 ILE A 82 -7.606 -1.265 -3.855 1.00 42.14 H new ATOM 0 HG22 ILE A 82 -6.473 -0.663 -5.089 1.00 42.14 H new ATOM 0 HG23 ILE A 82 -5.892 -1.739 -3.797 1.00 42.14 H new ATOM 0 HD11 ILE A 82 -7.978 -0.690 -0.269 1.00 71.24 H new ATOM 0 HD12 ILE A 82 -8.597 0.339 -1.582 1.00 71.24 H new ATOM 0 HD13 ILE A 82 -8.176 -1.359 -1.906 1.00 71.24 H new ATOM 1385 N TYR A 83 -4.083 0.302 -5.689 1.00 44.32 N ATOM 1386 CA TYR A 83 -3.873 0.581 -7.118 1.00 41.24 C ATOM 1387 C TYR A 83 -4.342 -0.576 -8.021 1.00 1.34 C ATOM 1388 O TYR A 83 -3.726 -1.647 -8.058 1.00 2.30 O ATOM 1389 CB TYR A 83 -2.393 0.881 -7.403 1.00 13.02 C ATOM 1390 CG TYR A 83 -2.083 1.063 -8.884 1.00 21.31 C ATOM 1391 CD1 TYR A 83 -2.378 2.255 -9.541 1.00 50.20 C ATOM 1392 CD2 TYR A 83 -1.512 0.032 -9.629 1.00 25.02 C ATOM 1393 CE1 TYR A 83 -2.105 2.416 -10.887 1.00 40.41 C ATOM 1394 CE2 TYR A 83 -1.241 0.187 -10.973 1.00 12.25 C ATOM 1395 CZ TYR A 83 -1.539 1.378 -11.597 1.00 63.45 C ATOM 1396 OH TYR A 83 -1.271 1.530 -12.939 1.00 32.02 O ATOM 0 H TYR A 83 -3.749 -0.613 -5.386 1.00 44.32 H new ATOM 0 HA TYR A 83 -4.479 1.456 -7.353 1.00 41.24 H new ATOM 0 HB2 TYR A 83 -2.104 1.784 -6.866 1.00 13.02 H new ATOM 0 HB3 TYR A 83 -1.783 0.067 -7.010 1.00 13.02 H new ATOM 0 HD1 TYR A 83 -2.828 3.068 -8.990 1.00 50.20 H new ATOM 0 HD2 TYR A 83 -1.278 -0.905 -9.145 1.00 25.02 H new ATOM 0 HE1 TYR A 83 -2.334 3.350 -11.380 1.00 40.41 H new ATOM 0 HE2 TYR A 83 -0.797 -0.622 -11.533 1.00 12.25 H new ATOM 0 HH TYR A 83 -0.872 0.706 -13.288 1.00 32.02 H new ATOM 1406 N ASP A 84 -5.422 -0.330 -8.757 1.00 61.03 N ATOM 1407 CA ASP A 84 -5.902 -1.249 -9.797 1.00 53.32 C ATOM 1408 C ASP A 84 -6.023 -0.529 -11.146 1.00 72.42 C ATOM 1409 O ASP A 84 -6.362 0.654 -11.205 1.00 74.40 O ATOM 1410 CB ASP A 84 -7.277 -1.823 -9.430 1.00 1.11 C ATOM 1411 CG ASP A 84 -7.238 -2.781 -8.256 1.00 62.54 C ATOM 1412 OD1 ASP A 84 -7.175 -2.311 -7.104 1.00 30.02 O ATOM 1413 OD2 ASP A 84 -7.294 -4.009 -8.494 1.00 45.20 O ATOM 0 H ASP A 84 -5.992 0.510 -8.653 1.00 61.03 H new ATOM 0 HA ASP A 84 -5.175 -2.058 -9.873 1.00 53.32 H new ATOM 0 HB2 ASP A 84 -7.954 -1.002 -9.196 1.00 1.11 H new ATOM 0 HB3 ASP A 84 -7.690 -2.339 -10.297 1.00 1.11 H new ATOM 1418 N GLN A 85 -5.741 -1.248 -12.231 1.00 33.25 N ATOM 1419 CA GLN A 85 -6.035 -0.744 -13.575 1.00 31.24 C ATOM 1420 C GLN A 85 -7.542 -0.853 -13.858 1.00 34.04 C ATOM 1421 O GLN A 85 -8.083 -0.168 -14.727 1.00 54.01 O ATOM 1422 CB GLN A 85 -5.248 -1.527 -14.638 1.00 1.24 C ATOM 1423 CG GLN A 85 -3.725 -1.463 -14.481 1.00 63.23 C ATOM 1424 CD GLN A 85 -3.157 -2.608 -13.658 1.00 52.13 C ATOM 1425 OE1 GLN A 85 -3.815 -3.146 -12.772 1.00 1.02 O ATOM 1426 NE2 GLN A 85 -1.931 -2.993 -13.949 1.00 65.44 N ATOM 0 H GLN A 85 -5.313 -2.174 -12.209 1.00 33.25 H new ATOM 0 HA GLN A 85 -5.732 0.302 -13.622 1.00 31.24 H new ATOM 0 HB2 GLN A 85 -5.560 -2.571 -14.606 1.00 1.24 H new ATOM 0 HB3 GLN A 85 -5.515 -1.145 -15.623 1.00 1.24 H new ATOM 0 HG2 GLN A 85 -3.264 -1.471 -15.469 1.00 63.23 H new ATOM 0 HG3 GLN A 85 -3.455 -0.518 -14.011 1.00 63.23 H new ATOM 0 HE21 GLN A 85 -1.412 -2.524 -14.691 1.00 65.44 H new ATOM 0 HE22 GLN A 85 -1.501 -3.760 -13.432 1.00 65.44 H new ATOM 1435 N ASP A 86 -8.204 -1.728 -13.103 1.00 44.51 N ATOM 1436 CA ASP A 86 -9.647 -1.945 -13.214 1.00 40.11 C ATOM 1437 C ASP A 86 -10.371 -1.450 -11.950 1.00 42.34 C ATOM 1438 O ASP A 86 -10.244 -2.046 -10.878 1.00 12.32 O ATOM 1439 CB ASP A 86 -9.929 -3.435 -13.419 1.00 52.24 C ATOM 1440 CG ASP A 86 -9.410 -3.948 -14.751 1.00 54.11 C ATOM 1441 OD1 ASP A 86 -8.178 -4.116 -14.896 1.00 52.13 O ATOM 1442 OD2 ASP A 86 -10.233 -4.187 -15.661 1.00 41.40 O ATOM 0 H ASP A 86 -7.754 -2.308 -12.395 1.00 44.51 H new ATOM 0 HA ASP A 86 -10.018 -1.381 -14.070 1.00 40.11 H new ATOM 0 HB2 ASP A 86 -9.469 -4.003 -12.610 1.00 52.24 H new ATOM 0 HB3 ASP A 86 -11.003 -3.610 -13.360 1.00 52.24 H new ATOM 1447 N GLN A 87 -11.148 -0.374 -12.084 1.00 11.22 N ATOM 1448 CA GLN A 87 -11.811 0.248 -10.931 1.00 51.35 C ATOM 1449 C GLN A 87 -12.842 -0.681 -10.264 1.00 3.11 C ATOM 1450 O GLN A 87 -13.261 -0.434 -9.133 1.00 75.32 O ATOM 1451 CB GLN A 87 -12.467 1.578 -11.332 1.00 30.11 C ATOM 1452 CG GLN A 87 -11.470 2.618 -11.842 1.00 64.24 C ATOM 1453 CD GLN A 87 -12.087 3.995 -12.028 1.00 74.30 C ATOM 1454 OE1 GLN A 87 -12.083 4.820 -11.119 1.00 42.14 O ATOM 1455 NE2 GLN A 87 -12.620 4.257 -13.203 1.00 62.04 N ATOM 0 H GLN A 87 -11.335 0.085 -12.975 1.00 11.22 H new ATOM 0 HA GLN A 87 -11.034 0.442 -10.192 1.00 51.35 H new ATOM 0 HB2 GLN A 87 -13.211 1.389 -12.106 1.00 30.11 H new ATOM 0 HB3 GLN A 87 -12.998 1.986 -10.472 1.00 30.11 H new ATOM 0 HG2 GLN A 87 -10.639 2.691 -11.140 1.00 64.24 H new ATOM 0 HG3 GLN A 87 -11.056 2.280 -12.792 1.00 64.24 H new ATOM 0 HE21 GLN A 87 -12.607 3.550 -13.938 1.00 62.04 H new ATOM 0 HE22 GLN A 87 -13.046 5.167 -13.378 1.00 62.04 H new ATOM 1464 N ASN A 88 -13.248 -1.748 -10.955 1.00 54.03 N ATOM 1465 CA ASN A 88 -14.159 -2.744 -10.367 1.00 11.33 C ATOM 1466 C ASN A 88 -13.555 -3.339 -9.079 1.00 54.54 C ATOM 1467 O ASN A 88 -14.165 -3.285 -8.009 1.00 41.42 O ATOM 1468 CB ASN A 88 -14.455 -3.865 -11.379 1.00 14.03 C ATOM 1469 CG ASN A 88 -15.515 -4.849 -10.894 1.00 4.14 C ATOM 1470 OD1 ASN A 88 -15.706 -5.050 -9.699 1.00 53.02 O ATOM 1471 ND2 ASN A 88 -16.203 -5.485 -11.819 1.00 45.55 N ATOM 0 H ASN A 88 -12.966 -1.948 -11.915 1.00 54.03 H new ATOM 0 HA ASN A 88 -15.094 -2.244 -10.114 1.00 11.33 H new ATOM 0 HB2 ASN A 88 -14.784 -3.420 -12.318 1.00 14.03 H new ATOM 0 HB3 ASN A 88 -13.534 -4.408 -11.589 1.00 14.03 H new ATOM 0 HD21 ASN A 88 -16.915 -6.164 -11.549 1.00 45.55 H new ATOM 0 HD22 ASN A 88 -16.024 -5.299 -12.806 1.00 45.55 H new ATOM 1478 N ARG A 89 -12.346 -3.894 -9.189 1.00 50.42 N ATOM 1479 CA ARG A 89 -11.655 -4.480 -8.030 1.00 13.24 C ATOM 1480 C ARG A 89 -11.162 -3.382 -7.077 1.00 30.54 C ATOM 1481 O ARG A 89 -11.213 -3.540 -5.855 1.00 3.55 O ATOM 1482 CB ARG A 89 -10.478 -5.373 -8.469 1.00 20.02 C ATOM 1483 CG ARG A 89 -10.898 -6.665 -9.176 1.00 11.32 C ATOM 1484 CD ARG A 89 -11.439 -6.411 -10.582 1.00 24.41 C ATOM 1485 NE ARG A 89 -11.982 -7.623 -11.195 1.00 11.24 N ATOM 1486 CZ ARG A 89 -11.735 -8.005 -12.421 1.00 62.10 C ATOM 1487 NH1 ARG A 89 -10.862 -7.375 -13.144 1.00 24.51 N ATOM 1488 NH2 ARG A 89 -12.332 -9.047 -12.904 1.00 4.52 N ATOM 0 H ARG A 89 -11.824 -3.952 -10.063 1.00 50.42 H new ATOM 0 HA ARG A 89 -12.375 -5.105 -7.501 1.00 13.24 H new ATOM 0 HB2 ARG A 89 -9.832 -4.801 -9.135 1.00 20.02 H new ATOM 0 HB3 ARG A 89 -9.884 -5.629 -7.592 1.00 20.02 H new ATOM 0 HG2 ARG A 89 -10.043 -7.338 -9.235 1.00 11.32 H new ATOM 0 HG3 ARG A 89 -11.660 -7.170 -8.582 1.00 11.32 H new ATOM 0 HD2 ARG A 89 -12.217 -5.649 -10.537 1.00 24.41 H new ATOM 0 HD3 ARG A 89 -10.641 -6.015 -11.210 1.00 24.41 H new ATOM 0 HE ARG A 89 -12.594 -8.210 -10.628 1.00 11.24 H new ATOM 0 HH11 ARG A 89 -10.362 -6.575 -12.757 1.00 24.51 H new ATOM 0 HH12 ARG A 89 -10.676 -7.680 -14.099 1.00 24.51 H new ATOM 0 HH21 ARG A 89 -12.994 -9.568 -12.329 1.00 4.52 H new ATOM 0 HH22 ARG A 89 -12.141 -9.347 -13.860 1.00 4.52 H new ATOM 1502 N LEU A 90 -10.706 -2.265 -7.652 1.00 22.35 N ATOM 1503 CA LEU A 90 -10.311 -1.085 -6.870 1.00 34.02 C ATOM 1504 C LEU A 90 -11.394 -0.718 -5.848 1.00 22.32 C ATOM 1505 O LEU A 90 -11.122 -0.573 -4.657 1.00 70.41 O ATOM 1506 CB LEU A 90 -10.072 0.111 -7.807 1.00 35.31 C ATOM 1507 CG LEU A 90 -9.549 1.392 -7.137 1.00 21.25 C ATOM 1508 CD1 LEU A 90 -8.151 1.171 -6.563 1.00 55.25 C ATOM 1509 CD2 LEU A 90 -9.552 2.559 -8.124 1.00 60.41 C ATOM 0 H LEU A 90 -10.600 -2.151 -8.660 1.00 22.35 H new ATOM 0 HA LEU A 90 -9.391 -1.325 -6.337 1.00 34.02 H new ATOM 0 HB2 LEU A 90 -9.361 -0.191 -8.576 1.00 35.31 H new ATOM 0 HB3 LEU A 90 -11.009 0.345 -8.313 1.00 35.31 H new ATOM 0 HG LEU A 90 -10.218 1.642 -6.313 1.00 21.25 H new ATOM 0 HD11 LEU A 90 -7.801 2.090 -6.094 1.00 55.25 H new ATOM 0 HD12 LEU A 90 -8.185 0.374 -5.820 1.00 55.25 H new ATOM 0 HD13 LEU A 90 -7.469 0.890 -7.365 1.00 55.25 H new ATOM 0 HD21 LEU A 90 -9.178 3.455 -7.629 1.00 60.41 H new ATOM 0 HD22 LEU A 90 -8.911 2.319 -8.973 1.00 60.41 H new ATOM 0 HD23 LEU A 90 -10.569 2.736 -8.475 1.00 60.41 H new ATOM 1521 N GLU A 91 -12.629 -0.578 -6.328 1.00 52.43 N ATOM 1522 CA GLU A 91 -13.762 -0.239 -5.466 1.00 32.12 C ATOM 1523 C GLU A 91 -14.145 -1.388 -4.527 1.00 4.22 C ATOM 1524 O GLU A 91 -14.467 -1.148 -3.368 1.00 21.35 O ATOM 1525 CB GLU A 91 -14.973 0.202 -6.302 1.00 31.10 C ATOM 1526 CG GLU A 91 -14.914 1.666 -6.733 1.00 12.53 C ATOM 1527 CD GLU A 91 -15.069 2.627 -5.558 1.00 4.33 C ATOM 1528 OE1 GLU A 91 -14.075 2.863 -4.830 1.00 13.11 O ATOM 1529 OE2 GLU A 91 -16.192 3.133 -5.343 1.00 40.43 O ATOM 0 H GLU A 91 -12.871 -0.694 -7.312 1.00 52.43 H new ATOM 0 HA GLU A 91 -13.445 0.595 -4.840 1.00 32.12 H new ATOM 0 HB2 GLU A 91 -15.041 -0.427 -7.189 1.00 31.10 H new ATOM 0 HB3 GLU A 91 -15.883 0.038 -5.724 1.00 31.10 H new ATOM 0 HG2 GLU A 91 -13.964 1.857 -7.231 1.00 12.53 H new ATOM 0 HG3 GLU A 91 -15.701 1.859 -7.462 1.00 12.53 H new ATOM 1536 N GLU A 92 -14.110 -2.628 -5.015 1.00 32.40 N ATOM 1537 CA GLU A 92 -14.422 -3.789 -4.168 1.00 72.14 C ATOM 1538 C GLU A 92 -13.539 -3.809 -2.910 1.00 24.43 C ATOM 1539 O GLU A 92 -14.036 -3.901 -1.781 1.00 21.52 O ATOM 1540 CB GLU A 92 -14.232 -5.100 -4.944 1.00 5.04 C ATOM 1541 CG GLU A 92 -14.580 -6.342 -4.127 1.00 31.10 C ATOM 1542 CD GLU A 92 -14.291 -7.641 -4.861 1.00 31.11 C ATOM 1543 OE1 GLU A 92 -14.936 -7.901 -5.899 1.00 74.33 O ATOM 1544 OE2 GLU A 92 -13.431 -8.416 -4.400 1.00 53.13 O ATOM 0 H GLU A 92 -13.872 -2.858 -5.980 1.00 32.40 H new ATOM 0 HA GLU A 92 -15.466 -3.700 -3.867 1.00 72.14 H new ATOM 0 HB2 GLU A 92 -14.853 -5.077 -5.840 1.00 5.04 H new ATOM 0 HB3 GLU A 92 -13.196 -5.171 -5.276 1.00 5.04 H new ATOM 0 HG2 GLU A 92 -14.016 -6.326 -3.195 1.00 31.10 H new ATOM 0 HG3 GLU A 92 -15.637 -6.310 -3.861 1.00 31.10 H new ATOM 1551 N PHE A 93 -12.229 -3.709 -3.115 1.00 30.22 N ATOM 1552 CA PHE A 93 -11.268 -3.706 -2.009 1.00 61.23 C ATOM 1553 C PHE A 93 -11.324 -2.369 -1.239 1.00 23.15 C ATOM 1554 O PHE A 93 -11.157 -2.340 -0.018 1.00 74.23 O ATOM 1555 CB PHE A 93 -9.856 -3.977 -2.551 1.00 42.24 C ATOM 1556 CG PHE A 93 -8.827 -4.283 -1.489 1.00 22.20 C ATOM 1557 CD1 PHE A 93 -9.130 -5.126 -0.428 1.00 11.12 C ATOM 1558 CD2 PHE A 93 -7.552 -3.741 -1.563 1.00 20.11 C ATOM 1559 CE1 PHE A 93 -8.183 -5.417 0.536 1.00 53.42 C ATOM 1560 CE2 PHE A 93 -6.603 -4.028 -0.601 1.00 74.15 C ATOM 1561 CZ PHE A 93 -6.919 -4.866 0.449 1.00 71.32 C ATOM 0 H PHE A 93 -11.804 -3.629 -4.039 1.00 30.22 H new ATOM 0 HA PHE A 93 -11.529 -4.498 -1.307 1.00 61.23 H new ATOM 0 HB2 PHE A 93 -9.902 -4.815 -3.247 1.00 42.24 H new ATOM 0 HB3 PHE A 93 -9.526 -3.108 -3.120 1.00 42.24 H new ATOM 0 HD1 PHE A 93 -10.117 -5.559 -0.355 1.00 11.12 H new ATOM 0 HD2 PHE A 93 -7.298 -3.086 -2.383 1.00 20.11 H new ATOM 0 HE1 PHE A 93 -8.431 -6.074 1.356 1.00 53.42 H new ATOM 0 HE2 PHE A 93 -5.615 -3.597 -0.671 1.00 74.15 H new ATOM 0 HZ PHE A 93 -6.179 -5.091 1.202 1.00 71.32 H new ATOM 1571 N SER A 94 -11.575 -1.273 -1.961 1.00 62.40 N ATOM 1572 CA SER A 94 -11.775 0.054 -1.340 1.00 70.14 C ATOM 1573 C SER A 94 -12.938 0.032 -0.336 1.00 52.52 C ATOM 1574 O SER A 94 -12.839 0.586 0.762 1.00 24.02 O ATOM 1575 CB SER A 94 -12.052 1.115 -2.416 1.00 31.55 C ATOM 1576 OG SER A 94 -12.326 2.387 -1.845 1.00 3.42 O ATOM 0 H SER A 94 -11.646 -1.271 -2.979 1.00 62.40 H new ATOM 0 HA SER A 94 -10.859 0.307 -0.806 1.00 70.14 H new ATOM 0 HB2 SER A 94 -11.191 1.193 -3.080 1.00 31.55 H new ATOM 0 HB3 SER A 94 -12.898 0.801 -3.027 1.00 31.55 H new ATOM 0 HG SER A 94 -11.580 2.995 -2.028 1.00 3.42 H new ATOM 1582 N ARG A 95 -14.040 -0.617 -0.722 1.00 4.24 N ATOM 1583 CA ARG A 95 -15.194 -0.791 0.166 1.00 5.31 C ATOM 1584 C ARG A 95 -14.780 -1.521 1.449 1.00 11.33 C ATOM 1585 O ARG A 95 -15.145 -1.117 2.551 1.00 54.30 O ATOM 1586 CB ARG A 95 -16.320 -1.582 -0.536 1.00 44.01 C ATOM 1587 CG ARG A 95 -17.455 -0.732 -1.115 1.00 52.11 C ATOM 1588 CD ARG A 95 -17.158 -0.189 -2.514 1.00 22.33 C ATOM 1589 NE ARG A 95 -16.128 0.850 -2.533 1.00 30.01 N ATOM 1590 CZ ARG A 95 -16.319 2.077 -2.129 1.00 4.24 C ATOM 1591 NH1 ARG A 95 -17.430 2.416 -1.559 1.00 73.15 N ATOM 1592 NH2 ARG A 95 -15.401 2.972 -2.307 1.00 2.21 N ATOM 0 H ARG A 95 -14.158 -1.032 -1.646 1.00 4.24 H new ATOM 0 HA ARG A 95 -15.568 0.201 0.420 1.00 5.31 H new ATOM 0 HB2 ARG A 95 -15.881 -2.169 -1.342 1.00 44.01 H new ATOM 0 HB3 ARG A 95 -16.745 -2.288 0.178 1.00 44.01 H new ATOM 0 HG2 ARG A 95 -18.365 -1.331 -1.152 1.00 52.11 H new ATOM 0 HG3 ARG A 95 -17.651 0.104 -0.444 1.00 52.11 H new ATOM 0 HD2 ARG A 95 -16.843 -1.013 -3.155 1.00 22.33 H new ATOM 0 HD3 ARG A 95 -18.077 0.214 -2.941 1.00 22.33 H new ATOM 0 HE ARG A 95 -15.203 0.600 -2.884 1.00 30.01 H new ATOM 0 HH11 ARG A 95 -18.165 1.722 -1.422 1.00 73.15 H new ATOM 0 HH12 ARG A 95 -17.570 3.377 -1.247 1.00 73.15 H new ATOM 0 HH21 ARG A 95 -14.525 2.720 -2.764 1.00 2.21 H new ATOM 0 HH22 ARG A 95 -15.554 3.929 -1.990 1.00 2.21 H new ATOM 1606 N GLU A 96 -14.007 -2.596 1.290 1.00 43.44 N ATOM 1607 CA GLU A 96 -13.527 -3.382 2.428 1.00 2.21 C ATOM 1608 C GLU A 96 -12.697 -2.538 3.401 1.00 30.11 C ATOM 1609 O GLU A 96 -13.039 -2.430 4.575 1.00 22.03 O ATOM 1610 CB GLU A 96 -12.707 -4.591 1.951 1.00 12.42 C ATOM 1611 CG GLU A 96 -13.557 -5.713 1.369 1.00 4.30 C ATOM 1612 CD GLU A 96 -14.602 -6.201 2.358 1.00 11.21 C ATOM 1613 OE1 GLU A 96 -14.221 -6.808 3.380 1.00 4.32 O ATOM 1614 OE2 GLU A 96 -15.806 -5.946 2.141 1.00 4.32 O ATOM 0 H GLU A 96 -13.699 -2.943 0.382 1.00 43.44 H new ATOM 0 HA GLU A 96 -14.408 -3.737 2.962 1.00 2.21 H new ATOM 0 HB2 GLU A 96 -11.992 -4.260 1.198 1.00 12.42 H new ATOM 0 HB3 GLU A 96 -12.130 -4.981 2.789 1.00 12.42 H new ATOM 0 HG2 GLU A 96 -14.050 -5.362 0.463 1.00 4.30 H new ATOM 0 HG3 GLU A 96 -12.914 -6.544 1.081 1.00 4.30 H new ATOM 1621 N VAL A 97 -11.614 -1.940 2.912 1.00 71.23 N ATOM 1622 CA VAL A 97 -10.728 -1.140 3.765 1.00 52.24 C ATOM 1623 C VAL A 97 -11.500 -0.018 4.489 1.00 14.45 C ATOM 1624 O VAL A 97 -11.352 0.167 5.702 1.00 34.41 O ATOM 1625 CB VAL A 97 -9.564 -0.528 2.952 1.00 15.21 C ATOM 1626 CG1 VAL A 97 -8.610 0.225 3.874 1.00 2.32 C ATOM 1627 CG2 VAL A 97 -8.820 -1.609 2.168 1.00 63.42 C ATOM 0 H VAL A 97 -11.326 -1.991 1.935 1.00 71.23 H new ATOM 0 HA VAL A 97 -10.316 -1.818 4.513 1.00 52.24 H new ATOM 0 HB VAL A 97 -9.981 0.179 2.235 1.00 15.21 H new ATOM 0 HG11 VAL A 97 -7.796 0.650 3.287 1.00 2.32 H new ATOM 0 HG12 VAL A 97 -9.149 1.026 4.380 1.00 2.32 H new ATOM 0 HG13 VAL A 97 -8.202 -0.462 4.615 1.00 2.32 H new ATOM 0 HG21 VAL A 97 -8.006 -1.154 1.604 1.00 63.42 H new ATOM 0 HG22 VAL A 97 -8.414 -2.346 2.861 1.00 63.42 H new ATOM 0 HG23 VAL A 97 -9.509 -2.098 1.480 1.00 63.42 H new ATOM 1637 N ARG A 98 -12.336 0.708 3.742 1.00 73.11 N ATOM 1638 CA ARG A 98 -13.209 1.741 4.322 1.00 35.04 C ATOM 1639 C ARG A 98 -14.146 1.152 5.394 1.00 52.24 C ATOM 1640 O ARG A 98 -14.332 1.736 6.462 1.00 34.11 O ATOM 1641 CB ARG A 98 -14.042 2.421 3.217 1.00 71.20 C ATOM 1642 CG ARG A 98 -13.305 3.521 2.454 1.00 64.42 C ATOM 1643 CD ARG A 98 -14.105 4.017 1.248 1.00 53.43 C ATOM 1644 NE ARG A 98 -13.654 5.332 0.771 1.00 24.02 N ATOM 1645 CZ ARG A 98 -13.424 5.624 -0.484 1.00 41.34 C ATOM 1646 NH1 ARG A 98 -13.419 4.697 -1.384 1.00 70.54 N ATOM 1647 NH2 ARG A 98 -13.154 6.842 -0.832 1.00 14.40 N ATOM 0 H ARG A 98 -12.429 0.602 2.732 1.00 73.11 H new ATOM 0 HA ARG A 98 -12.569 2.482 4.800 1.00 35.04 H new ATOM 0 HB2 ARG A 98 -14.370 1.661 2.507 1.00 71.20 H new ATOM 0 HB3 ARG A 98 -14.939 2.846 3.666 1.00 71.20 H new ATOM 0 HG2 ARG A 98 -13.106 4.356 3.125 1.00 64.42 H new ATOM 0 HG3 ARG A 98 -12.339 3.144 2.118 1.00 64.42 H new ATOM 0 HD2 ARG A 98 -14.020 3.293 0.438 1.00 53.43 H new ATOM 0 HD3 ARG A 98 -15.160 4.074 1.516 1.00 53.43 H new ATOM 0 HE ARG A 98 -13.511 6.066 1.464 1.00 24.02 H new ATOM 0 HH11 ARG A 98 -13.595 3.728 -1.119 1.00 70.54 H new ATOM 0 HH12 ARG A 98 -13.239 4.934 -2.360 1.00 70.54 H new ATOM 0 HH21 ARG A 98 -13.120 7.578 -0.127 1.00 14.40 H new ATOM 0 HH22 ARG A 98 -12.975 7.065 -1.811 1.00 14.40 H new ATOM 1661 N ARG A 99 -14.723 -0.013 5.101 1.00 34.53 N ATOM 1662 CA ARG A 99 -15.670 -0.675 6.010 1.00 23.02 C ATOM 1663 C ARG A 99 -14.980 -1.185 7.289 1.00 41.30 C ATOM 1664 O ARG A 99 -15.557 -1.146 8.377 1.00 4.44 O ATOM 1665 CB ARG A 99 -16.381 -1.832 5.270 1.00 43.22 C ATOM 1666 CG ARG A 99 -17.416 -2.595 6.107 1.00 22.32 C ATOM 1667 CD ARG A 99 -16.867 -3.907 6.673 1.00 31.35 C ATOM 1668 NE ARG A 99 -16.579 -4.886 5.620 1.00 73.24 N ATOM 1669 CZ ARG A 99 -16.994 -6.129 5.638 1.00 45.42 C ATOM 1670 NH1 ARG A 99 -17.697 -6.579 6.630 1.00 40.50 N ATOM 1671 NH2 ARG A 99 -16.696 -6.925 4.664 1.00 34.35 N ATOM 0 H ARG A 99 -14.552 -0.524 4.235 1.00 34.53 H new ATOM 0 HA ARG A 99 -16.411 0.061 6.322 1.00 23.02 H new ATOM 0 HB2 ARG A 99 -16.876 -1.429 4.386 1.00 43.22 H new ATOM 0 HB3 ARG A 99 -15.627 -2.537 4.920 1.00 43.22 H new ATOM 0 HG2 ARG A 99 -17.751 -1.962 6.928 1.00 22.32 H new ATOM 0 HG3 ARG A 99 -18.290 -2.807 5.491 1.00 22.32 H new ATOM 0 HD2 ARG A 99 -15.957 -3.705 7.238 1.00 31.35 H new ATOM 0 HD3 ARG A 99 -17.589 -4.329 7.372 1.00 31.35 H new ATOM 0 HE ARG A 99 -16.020 -4.580 4.823 1.00 73.24 H new ATOM 0 HH11 ARG A 99 -17.933 -5.964 7.408 1.00 40.50 H new ATOM 0 HH12 ARG A 99 -18.014 -7.548 6.632 1.00 40.50 H new ATOM 0 HH21 ARG A 99 -16.138 -6.586 3.881 1.00 34.35 H new ATOM 0 HH22 ARG A 99 -17.019 -7.892 4.679 1.00 34.35 H new ATOM 1685 N ARG A 100 -13.736 -1.646 7.159 1.00 65.11 N ATOM 1686 CA ARG A 100 -12.996 -2.217 8.297 1.00 2.35 C ATOM 1687 C ARG A 100 -12.346 -1.128 9.168 1.00 71.23 C ATOM 1688 O ARG A 100 -11.681 -1.430 10.161 1.00 4.52 O ATOM 1689 CB ARG A 100 -11.940 -3.210 7.794 1.00 14.23 C ATOM 1690 CG ARG A 100 -12.520 -4.270 6.863 1.00 21.33 C ATOM 1691 CD ARG A 100 -11.495 -5.320 6.451 1.00 1.43 C ATOM 1692 NE ARG A 100 -12.061 -6.282 5.499 1.00 71.43 N ATOM 1693 CZ ARG A 100 -11.598 -7.486 5.302 1.00 70.34 C ATOM 1694 NH1 ARG A 100 -10.588 -7.925 5.979 1.00 63.03 N ATOM 1695 NH2 ARG A 100 -12.164 -8.254 4.435 1.00 33.03 N ATOM 0 H ARG A 100 -13.216 -1.638 6.282 1.00 65.11 H new ATOM 0 HA ARG A 100 -13.712 -2.745 8.926 1.00 2.35 H new ATOM 0 HB2 ARG A 100 -11.155 -2.664 7.271 1.00 14.23 H new ATOM 0 HB3 ARG A 100 -11.473 -3.700 8.648 1.00 14.23 H new ATOM 0 HG2 ARG A 100 -13.358 -4.761 7.357 1.00 21.33 H new ATOM 0 HG3 ARG A 100 -12.916 -3.786 5.970 1.00 21.33 H new ATOM 0 HD2 ARG A 100 -10.631 -4.830 6.003 1.00 1.43 H new ATOM 0 HD3 ARG A 100 -11.139 -5.849 7.335 1.00 1.43 H new ATOM 0 HE ARG A 100 -12.872 -5.990 4.954 1.00 71.43 H new ATOM 0 HH11 ARG A 100 -10.144 -7.328 6.677 1.00 63.03 H new ATOM 0 HH12 ARG A 100 -10.236 -8.868 5.816 1.00 63.03 H new ATOM 0 HH21 ARG A 100 -12.970 -7.920 3.907 1.00 33.03 H new ATOM 0 HH22 ARG A 100 -11.806 -9.196 4.277 1.00 33.03 H new ATOM 1709 N GLY A 101 -12.543 0.134 8.791 1.00 41.24 N ATOM 1710 CA GLY A 101 -12.077 1.243 9.615 1.00 24.34 C ATOM 1711 C GLY A 101 -10.615 1.615 9.388 1.00 75.31 C ATOM 1712 O GLY A 101 -9.941 2.082 10.309 1.00 70.21 O ATOM 0 H GLY A 101 -13.016 0.410 7.931 1.00 41.24 H new ATOM 0 HA2 GLY A 101 -12.698 2.116 9.416 1.00 24.34 H new ATOM 0 HA3 GLY A 101 -12.217 0.985 10.665 1.00 24.34 H new ATOM 1716 N PHE A 102 -10.115 1.411 8.172 1.00 55.05 N ATOM 1717 CA PHE A 102 -8.761 1.859 7.813 1.00 11.33 C ATOM 1718 C PHE A 102 -8.796 3.012 6.790 1.00 40.14 C ATOM 1719 O PHE A 102 -9.636 3.037 5.890 1.00 45.41 O ATOM 1720 CB PHE A 102 -7.927 0.694 7.261 1.00 52.53 C ATOM 1721 CG PHE A 102 -7.437 -0.270 8.318 1.00 74.54 C ATOM 1722 CD1 PHE A 102 -6.300 0.020 9.061 1.00 61.23 C ATOM 1723 CD2 PHE A 102 -8.103 -1.463 8.562 1.00 35.42 C ATOM 1724 CE1 PHE A 102 -5.838 -0.857 10.023 1.00 52.44 C ATOM 1725 CE2 PHE A 102 -7.644 -2.344 9.526 1.00 11.13 C ATOM 1726 CZ PHE A 102 -6.510 -2.040 10.256 1.00 73.22 C ATOM 0 H PHE A 102 -10.619 0.942 7.419 1.00 55.05 H new ATOM 0 HA PHE A 102 -8.292 2.229 8.725 1.00 11.33 H new ATOM 0 HB2 PHE A 102 -8.526 0.145 6.534 1.00 52.53 H new ATOM 0 HB3 PHE A 102 -7.067 1.098 6.726 1.00 52.53 H new ATOM 0 HD1 PHE A 102 -5.770 0.944 8.884 1.00 61.23 H new ATOM 0 HD2 PHE A 102 -8.989 -1.706 7.994 1.00 35.42 H new ATOM 0 HE1 PHE A 102 -4.952 -0.617 10.592 1.00 52.44 H new ATOM 0 HE2 PHE A 102 -8.172 -3.269 9.708 1.00 11.13 H new ATOM 0 HZ PHE A 102 -6.150 -2.727 11.008 1.00 73.22 H new ATOM 1736 N GLU A 103 -7.872 3.960 6.942 1.00 63.33 N ATOM 1737 CA GLU A 103 -7.764 5.110 6.035 1.00 61.03 C ATOM 1738 C GLU A 103 -7.147 4.695 4.690 1.00 42.23 C ATOM 1739 O GLU A 103 -6.005 4.243 4.637 1.00 0.45 O ATOM 1740 CB GLU A 103 -6.912 6.204 6.697 1.00 34.13 C ATOM 1741 CG GLU A 103 -7.493 6.716 8.015 1.00 42.40 C ATOM 1742 CD GLU A 103 -6.589 7.718 8.713 1.00 1.21 C ATOM 1743 OE1 GLU A 103 -6.387 8.821 8.163 1.00 35.40 O ATOM 1744 OE2 GLU A 103 -6.091 7.416 9.818 1.00 71.22 O ATOM 0 H GLU A 103 -7.180 3.956 7.691 1.00 63.33 H new ATOM 0 HA GLU A 103 -8.764 5.497 5.839 1.00 61.03 H new ATOM 0 HB2 GLU A 103 -5.911 5.814 6.878 1.00 34.13 H new ATOM 0 HB3 GLU A 103 -6.808 7.040 6.006 1.00 34.13 H new ATOM 0 HG2 GLU A 103 -8.461 7.180 7.823 1.00 42.40 H new ATOM 0 HG3 GLU A 103 -7.671 5.871 8.680 1.00 42.40 H new ATOM 1751 N VAL A 104 -7.902 4.853 3.603 1.00 73.24 N ATOM 1752 CA VAL A 104 -7.456 4.381 2.287 1.00 5.21 C ATOM 1753 C VAL A 104 -7.578 5.451 1.185 1.00 25.55 C ATOM 1754 O VAL A 104 -8.572 6.181 1.104 1.00 21.34 O ATOM 1755 CB VAL A 104 -8.244 3.118 1.857 1.00 33.13 C ATOM 1756 CG1 VAL A 104 -9.744 3.400 1.785 1.00 73.13 C ATOM 1757 CG2 VAL A 104 -7.727 2.580 0.525 1.00 55.31 C ATOM 0 H VAL A 104 -8.819 5.300 3.604 1.00 73.24 H new ATOM 0 HA VAL A 104 -6.398 4.143 2.401 1.00 5.21 H new ATOM 0 HB VAL A 104 -8.085 2.352 2.616 1.00 33.13 H new ATOM 0 HG11 VAL A 104 -10.270 2.495 1.481 1.00 73.13 H new ATOM 0 HG12 VAL A 104 -10.102 3.716 2.765 1.00 73.13 H new ATOM 0 HG13 VAL A 104 -9.931 4.190 1.058 1.00 73.13 H new ATOM 0 HG21 VAL A 104 -8.296 1.694 0.245 1.00 55.31 H new ATOM 0 HG22 VAL A 104 -7.842 3.343 -0.245 1.00 55.31 H new ATOM 0 HG23 VAL A 104 -6.673 2.319 0.622 1.00 55.31 H new ATOM 1767 N ARG A 105 -6.540 5.544 0.353 1.00 4.10 N ATOM 1768 CA ARG A 105 -6.552 6.360 -0.867 1.00 64.43 C ATOM 1769 C ARG A 105 -6.554 5.436 -2.099 1.00 52.11 C ATOM 1770 O ARG A 105 -5.830 4.441 -2.129 1.00 70.03 O ATOM 1771 CB ARG A 105 -5.312 7.272 -0.925 1.00 55.54 C ATOM 1772 CG ARG A 105 -5.071 8.132 0.319 1.00 43.21 C ATOM 1773 CD ARG A 105 -6.140 9.206 0.530 1.00 25.31 C ATOM 1774 NE ARG A 105 -7.376 8.666 1.094 1.00 5.25 N ATOM 1775 CZ ARG A 105 -8.007 9.178 2.115 1.00 61.13 C ATOM 1776 NH1 ARG A 105 -7.584 10.264 2.688 1.00 60.23 N ATOM 1777 NH2 ARG A 105 -9.071 8.596 2.562 1.00 45.34 N ATOM 0 H ARG A 105 -5.659 5.052 0.506 1.00 4.10 H new ATOM 0 HA ARG A 105 -7.447 6.982 -0.860 1.00 64.43 H new ATOM 0 HB2 ARG A 105 -4.432 6.651 -1.092 1.00 55.54 H new ATOM 0 HB3 ARG A 105 -5.406 7.930 -1.789 1.00 55.54 H new ATOM 0 HG2 ARG A 105 -5.036 7.487 1.197 1.00 43.21 H new ATOM 0 HG3 ARG A 105 -4.096 8.612 0.237 1.00 43.21 H new ATOM 0 HD2 ARG A 105 -5.749 9.977 1.194 1.00 25.31 H new ATOM 0 HD3 ARG A 105 -6.360 9.687 -0.423 1.00 25.31 H new ATOM 0 HE ARG A 105 -7.772 7.832 0.660 1.00 5.25 H new ATOM 0 HH11 ARG A 105 -6.746 10.731 2.341 1.00 60.23 H new ATOM 0 HH12 ARG A 105 -8.090 10.650 3.485 1.00 60.23 H new ATOM 0 HH21 ARG A 105 -9.411 7.743 2.117 1.00 45.34 H new ATOM 0 HH22 ARG A 105 -9.571 8.989 3.360 1.00 45.34 H new ATOM 1791 N THR A 106 -7.360 5.752 -3.109 1.00 72.22 N ATOM 1792 CA THR A 106 -7.415 4.932 -4.333 1.00 12.44 C ATOM 1793 C THR A 106 -6.815 5.670 -5.537 1.00 65.05 C ATOM 1794 O THR A 106 -7.334 6.699 -5.974 1.00 25.11 O ATOM 1795 CB THR A 106 -8.865 4.498 -4.668 1.00 24.11 C ATOM 1796 OG1 THR A 106 -9.736 5.640 -4.735 1.00 31.21 O ATOM 1797 CG2 THR A 106 -9.388 3.516 -3.623 1.00 51.34 C ATOM 0 H THR A 106 -7.982 6.561 -3.113 1.00 72.22 H new ATOM 0 HA THR A 106 -6.819 4.042 -4.132 1.00 12.44 H new ATOM 0 HB THR A 106 -8.850 4.007 -5.641 1.00 24.11 H new ATOM 0 HG1 THR A 106 -9.249 6.401 -5.115 1.00 31.21 H new ATOM 0 HG21 THR A 106 -10.407 3.224 -3.876 1.00 51.34 H new ATOM 0 HG22 THR A 106 -8.751 2.632 -3.604 1.00 51.34 H new ATOM 0 HG23 THR A 106 -9.380 3.990 -2.642 1.00 51.34 H new ATOM 1805 N VAL A 107 -5.717 5.133 -6.075 1.00 15.31 N ATOM 1806 CA VAL A 107 -5.033 5.740 -7.224 1.00 4.12 C ATOM 1807 C VAL A 107 -5.180 4.869 -8.481 1.00 71.42 C ATOM 1808 O VAL A 107 -5.199 3.642 -8.401 1.00 2.50 O ATOM 1809 CB VAL A 107 -3.526 5.977 -6.932 1.00 74.12 C ATOM 1810 CG1 VAL A 107 -3.353 6.987 -5.796 1.00 73.24 C ATOM 1811 CG2 VAL A 107 -2.816 4.663 -6.604 1.00 44.35 C ATOM 0 H VAL A 107 -5.280 4.277 -5.734 1.00 15.31 H new ATOM 0 HA VAL A 107 -5.509 6.704 -7.401 1.00 4.12 H new ATOM 0 HB VAL A 107 -3.067 6.388 -7.831 1.00 74.12 H new ATOM 0 HG11 VAL A 107 -2.291 7.141 -5.605 1.00 73.24 H new ATOM 0 HG12 VAL A 107 -3.812 7.934 -6.078 1.00 73.24 H new ATOM 0 HG13 VAL A 107 -3.833 6.606 -4.894 1.00 73.24 H new ATOM 0 HG21 VAL A 107 -1.763 4.859 -6.404 1.00 44.35 H new ATOM 0 HG22 VAL A 107 -3.275 4.211 -5.724 1.00 44.35 H new ATOM 0 HG23 VAL A 107 -2.904 3.981 -7.450 1.00 44.35 H new ATOM 1821 N THR A 108 -5.298 5.512 -9.640 1.00 5.35 N ATOM 1822 CA THR A 108 -5.501 4.785 -10.905 1.00 75.33 C ATOM 1823 C THR A 108 -4.392 5.067 -11.932 1.00 42.11 C ATOM 1824 O THR A 108 -4.460 4.609 -13.073 1.00 4.44 O ATOM 1825 CB THR A 108 -6.873 5.128 -11.535 1.00 65.30 C ATOM 1826 OG1 THR A 108 -6.997 6.550 -11.711 1.00 74.44 O ATOM 1827 CG2 THR A 108 -8.022 4.621 -10.668 1.00 51.14 C ATOM 0 H THR A 108 -5.258 6.527 -9.737 1.00 5.35 H new ATOM 0 HA THR A 108 -5.469 3.726 -10.650 1.00 75.33 H new ATOM 0 HB THR A 108 -6.927 4.633 -12.505 1.00 65.30 H new ATOM 0 HG1 THR A 108 -7.867 6.755 -12.112 1.00 74.44 H new ATOM 0 HG21 THR A 108 -8.972 4.877 -11.137 1.00 51.14 H new ATOM 0 HG22 THR A 108 -7.949 3.538 -10.564 1.00 51.14 H new ATOM 0 HG23 THR A 108 -7.967 5.085 -9.683 1.00 51.14 H new ATOM 1835 N SER A 109 -3.364 5.810 -11.522 1.00 45.31 N ATOM 1836 CA SER A 109 -2.223 6.120 -12.400 1.00 45.15 C ATOM 1837 C SER A 109 -0.953 6.400 -11.581 1.00 44.35 C ATOM 1838 O SER A 109 -1.033 6.902 -10.459 1.00 34.05 O ATOM 1839 CB SER A 109 -2.535 7.329 -13.300 1.00 23.33 C ATOM 1840 OG SER A 109 -3.551 7.033 -14.249 1.00 13.25 O ATOM 0 H SER A 109 -3.293 6.211 -10.587 1.00 45.31 H new ATOM 0 HA SER A 109 -2.049 5.246 -13.028 1.00 45.15 H new ATOM 0 HB2 SER A 109 -2.849 8.170 -12.682 1.00 23.33 H new ATOM 0 HB3 SER A 109 -1.629 7.637 -13.822 1.00 23.33 H new ATOM 0 HG SER A 109 -3.897 6.130 -14.087 1.00 13.25 H new ATOM 1846 N PRO A 110 0.239 6.076 -12.127 1.00 75.12 N ATOM 1847 CA PRO A 110 1.527 6.343 -11.450 1.00 24.14 C ATOM 1848 C PRO A 110 1.720 7.831 -11.093 1.00 65.50 C ATOM 1849 O PRO A 110 2.036 8.172 -9.951 1.00 35.23 O ATOM 1850 CB PRO A 110 2.575 5.884 -12.480 1.00 13.34 C ATOM 1851 CG PRO A 110 1.851 4.915 -13.354 1.00 34.43 C ATOM 1852 CD PRO A 110 0.433 5.411 -13.432 1.00 12.25 C ATOM 0 HA PRO A 110 1.596 5.824 -10.494 1.00 24.14 H new ATOM 0 HB2 PRO A 110 2.959 6.726 -13.056 1.00 13.34 H new ATOM 0 HB3 PRO A 110 3.430 5.415 -11.993 1.00 13.34 H new ATOM 0 HG2 PRO A 110 2.304 4.868 -14.344 1.00 34.43 H new ATOM 0 HG3 PRO A 110 1.891 3.908 -12.938 1.00 34.43 H new ATOM 0 HD2 PRO A 110 0.293 6.103 -14.262 1.00 12.25 H new ATOM 0 HD3 PRO A 110 -0.273 4.593 -13.577 1.00 12.25 H new ATOM 1860 N ASP A 111 1.513 8.714 -12.073 1.00 15.03 N ATOM 1861 CA ASP A 111 1.645 10.161 -11.857 1.00 12.00 C ATOM 1862 C ASP A 111 0.556 10.675 -10.892 1.00 44.45 C ATOM 1863 O ASP A 111 0.790 11.591 -10.099 1.00 34.41 O ATOM 1864 CB ASP A 111 1.573 10.896 -13.203 1.00 62.31 C ATOM 1865 CG ASP A 111 2.028 12.342 -13.108 1.00 35.54 C ATOM 1866 OD1 ASP A 111 3.229 12.576 -12.840 1.00 70.42 O ATOM 1867 OD2 ASP A 111 1.198 13.252 -13.309 1.00 34.42 O ATOM 0 H ASP A 111 1.253 8.454 -13.025 1.00 15.03 H new ATOM 0 HA ASP A 111 2.614 10.360 -11.399 1.00 12.00 H new ATOM 0 HB2 ASP A 111 2.192 10.372 -13.932 1.00 62.31 H new ATOM 0 HB3 ASP A 111 0.549 10.866 -13.574 1.00 62.31 H new ATOM 1872 N ASP A 112 -0.633 10.071 -10.972 1.00 15.14 N ATOM 1873 CA ASP A 112 -1.719 10.344 -10.023 1.00 51.43 C ATOM 1874 C ASP A 112 -1.273 10.036 -8.583 1.00 34.32 C ATOM 1875 O ASP A 112 -1.480 10.835 -7.666 1.00 13.33 O ATOM 1876 CB ASP A 112 -2.949 9.504 -10.399 1.00 52.41 C ATOM 1877 CG ASP A 112 -4.118 9.689 -9.447 1.00 51.42 C ATOM 1878 OD1 ASP A 112 -4.475 10.848 -9.159 1.00 64.01 O ATOM 1879 OD2 ASP A 112 -4.683 8.672 -8.983 1.00 62.53 O ATOM 0 H ASP A 112 -0.870 9.385 -11.689 1.00 15.14 H new ATOM 0 HA ASP A 112 -1.979 11.401 -10.074 1.00 51.43 H new ATOM 0 HB2 ASP A 112 -3.266 9.768 -11.408 1.00 52.41 H new ATOM 0 HB3 ASP A 112 -2.669 8.451 -10.419 1.00 52.41 H new ATOM 1884 N PHE A 113 -0.657 8.871 -8.403 1.00 41.12 N ATOM 1885 CA PHE A 113 -0.071 8.484 -7.118 1.00 32.30 C ATOM 1886 C PHE A 113 1.012 9.482 -6.671 1.00 32.14 C ATOM 1887 O PHE A 113 1.047 9.897 -5.514 1.00 31.21 O ATOM 1888 CB PHE A 113 0.522 7.068 -7.228 1.00 65.11 C ATOM 1889 CG PHE A 113 1.412 6.679 -6.071 1.00 42.21 C ATOM 1890 CD1 PHE A 113 0.870 6.263 -4.864 1.00 1.32 C ATOM 1891 CD2 PHE A 113 2.796 6.731 -6.196 1.00 63.40 C ATOM 1892 CE1 PHE A 113 1.689 5.910 -3.808 1.00 24.34 C ATOM 1893 CE2 PHE A 113 3.616 6.378 -5.144 1.00 4.42 C ATOM 1894 CZ PHE A 113 3.062 5.968 -3.949 1.00 55.22 C ATOM 0 H PHE A 113 -0.549 8.171 -9.137 1.00 41.12 H new ATOM 0 HA PHE A 113 -0.859 8.492 -6.365 1.00 32.30 H new ATOM 0 HB2 PHE A 113 -0.294 6.349 -7.302 1.00 65.11 H new ATOM 0 HB3 PHE A 113 1.095 6.997 -8.153 1.00 65.11 H new ATOM 0 HD1 PHE A 113 -0.203 6.214 -4.748 1.00 1.32 H new ATOM 0 HD2 PHE A 113 3.235 7.052 -7.129 1.00 63.40 H new ATOM 0 HE1 PHE A 113 1.255 5.589 -2.872 1.00 24.34 H new ATOM 0 HE2 PHE A 113 4.689 6.423 -5.256 1.00 4.42 H new ATOM 0 HZ PHE A 113 3.702 5.692 -3.124 1.00 55.22 H new ATOM 1904 N LYS A 114 1.882 9.859 -7.603 1.00 43.34 N ATOM 1905 CA LYS A 114 2.977 10.803 -7.337 1.00 14.25 C ATOM 1906 C LYS A 114 2.474 12.094 -6.669 1.00 70.04 C ATOM 1907 O LYS A 114 2.865 12.426 -5.544 1.00 54.03 O ATOM 1908 CB LYS A 114 3.677 11.152 -8.656 1.00 75.20 C ATOM 1909 CG LYS A 114 4.892 12.065 -8.502 1.00 54.51 C ATOM 1910 CD LYS A 114 5.395 12.560 -9.856 1.00 15.43 C ATOM 1911 CE LYS A 114 5.698 11.410 -10.809 1.00 64.33 C ATOM 1912 NZ LYS A 114 6.117 11.902 -12.144 1.00 25.21 N ATOM 0 H LYS A 114 1.853 9.522 -8.565 1.00 43.34 H new ATOM 0 HA LYS A 114 3.674 10.322 -6.650 1.00 14.25 H new ATOM 0 HB2 LYS A 114 3.991 10.228 -9.142 1.00 75.20 H new ATOM 0 HB3 LYS A 114 2.958 11.633 -9.319 1.00 75.20 H new ATOM 0 HG2 LYS A 114 4.630 12.918 -7.876 1.00 54.51 H new ATOM 0 HG3 LYS A 114 5.690 11.527 -7.991 1.00 54.51 H new ATOM 0 HD2 LYS A 114 4.646 13.214 -10.304 1.00 15.43 H new ATOM 0 HD3 LYS A 114 6.295 13.158 -9.712 1.00 15.43 H new ATOM 0 HE2 LYS A 114 6.486 10.785 -10.387 1.00 64.33 H new ATOM 0 HE3 LYS A 114 4.814 10.781 -10.914 1.00 64.33 H new ATOM 0 HZ1 LYS A 114 6.569 11.129 -12.673 1.00 25.21 H new ATOM 0 HZ2 LYS A 114 5.284 12.239 -12.667 1.00 25.21 H new ATOM 0 HZ3 LYS A 114 6.793 12.684 -12.029 1.00 25.21 H new ATOM 1926 N LYS A 115 1.602 12.811 -7.370 1.00 61.40 N ATOM 1927 CA LYS A 115 1.085 14.093 -6.886 1.00 3.42 C ATOM 1928 C LYS A 115 0.232 13.925 -5.616 1.00 10.33 C ATOM 1929 O LYS A 115 0.307 14.742 -4.696 1.00 4.31 O ATOM 1930 CB LYS A 115 0.297 14.789 -8.005 1.00 63.51 C ATOM 1931 CG LYS A 115 1.183 15.183 -9.186 1.00 23.20 C ATOM 1932 CD LYS A 115 0.397 15.805 -10.336 1.00 43.10 C ATOM 1933 CE LYS A 115 -0.509 14.792 -11.031 1.00 45.35 C ATOM 1934 NZ LYS A 115 -1.084 15.338 -12.290 1.00 11.54 N ATOM 0 H LYS A 115 1.235 12.528 -8.279 1.00 61.40 H new ATOM 0 HA LYS A 115 1.931 14.722 -6.609 1.00 3.42 H new ATOM 0 HB2 LYS A 115 -0.495 14.126 -8.354 1.00 63.51 H new ATOM 0 HB3 LYS A 115 -0.187 15.680 -7.605 1.00 63.51 H new ATOM 0 HG2 LYS A 115 1.940 15.890 -8.846 1.00 23.20 H new ATOM 0 HG3 LYS A 115 1.710 14.301 -9.548 1.00 23.20 H new ATOM 0 HD2 LYS A 115 -0.207 16.629 -9.957 1.00 43.10 H new ATOM 0 HD3 LYS A 115 1.092 16.227 -11.062 1.00 43.10 H new ATOM 0 HE2 LYS A 115 0.059 13.888 -11.253 1.00 45.35 H new ATOM 0 HE3 LYS A 115 -1.316 14.504 -10.358 1.00 45.35 H new ATOM 0 HZ1 LYS A 115 -1.693 14.621 -12.733 1.00 11.54 H new ATOM 0 HZ2 LYS A 115 -1.647 16.186 -12.076 1.00 11.54 H new ATOM 0 HZ3 LYS A 115 -0.314 15.589 -12.943 1.00 11.54 H new ATOM 1948 N SER A 116 -0.557 12.854 -5.556 1.00 5.43 N ATOM 1949 CA SER A 116 -1.349 12.547 -4.353 1.00 13.34 C ATOM 1950 C SER A 116 -0.437 12.303 -3.140 1.00 63.01 C ATOM 1951 O SER A 116 -0.722 12.757 -2.028 1.00 61.51 O ATOM 1952 CB SER A 116 -2.240 11.314 -4.588 1.00 41.55 C ATOM 1953 OG SER A 116 -3.140 11.519 -5.671 1.00 11.44 O ATOM 0 H SER A 116 -0.669 12.185 -6.317 1.00 5.43 H new ATOM 0 HA SER A 116 -1.983 13.409 -4.146 1.00 13.34 H new ATOM 0 HB2 SER A 116 -1.614 10.445 -4.793 1.00 41.55 H new ATOM 0 HB3 SER A 116 -2.804 11.093 -3.682 1.00 41.55 H new ATOM 0 HG SER A 116 -2.642 11.516 -6.515 1.00 11.44 H new ATOM 1959 N LEU A 117 0.672 11.598 -3.372 1.00 72.22 N ATOM 1960 CA LEU A 117 1.624 11.255 -2.308 1.00 3.32 C ATOM 1961 C LEU A 117 2.222 12.517 -1.656 1.00 15.54 C ATOM 1962 O LEU A 117 2.447 12.546 -0.446 1.00 73.32 O ATOM 1963 CB LEU A 117 2.747 10.364 -2.869 1.00 34.24 C ATOM 1964 CG LEU A 117 3.674 9.719 -1.821 1.00 22.33 C ATOM 1965 CD1 LEU A 117 2.908 8.726 -0.946 1.00 13.34 C ATOM 1966 CD2 LEU A 117 4.864 9.038 -2.498 1.00 0.15 C ATOM 0 H LEU A 117 0.936 11.250 -4.294 1.00 72.22 H new ATOM 0 HA LEU A 117 1.081 10.707 -1.538 1.00 3.32 H new ATOM 0 HB2 LEU A 117 2.294 9.571 -3.464 1.00 34.24 H new ATOM 0 HB3 LEU A 117 3.356 10.962 -3.547 1.00 34.24 H new ATOM 0 HG LEU A 117 4.054 10.511 -1.176 1.00 22.33 H new ATOM 0 HD11 LEU A 117 3.587 8.286 -0.215 1.00 13.34 H new ATOM 0 HD12 LEU A 117 2.102 9.245 -0.426 1.00 13.34 H new ATOM 0 HD13 LEU A 117 2.488 7.938 -1.572 1.00 13.34 H new ATOM 0 HD21 LEU A 117 5.506 8.589 -1.740 1.00 0.15 H new ATOM 0 HD22 LEU A 117 4.503 8.262 -3.174 1.00 0.15 H new ATOM 0 HD23 LEU A 117 5.432 9.776 -3.064 1.00 0.15 H new ATOM 1978 N GLU A 118 2.463 13.561 -2.460 1.00 25.42 N ATOM 1979 CA GLU A 118 3.005 14.836 -1.950 1.00 15.22 C ATOM 1980 C GLU A 118 2.218 15.339 -0.729 1.00 20.42 C ATOM 1981 O GLU A 118 2.792 15.876 0.221 1.00 64.11 O ATOM 1982 CB GLU A 118 2.971 15.924 -3.036 1.00 63.15 C ATOM 1983 CG GLU A 118 3.835 15.637 -4.259 1.00 42.13 C ATOM 1984 CD GLU A 118 3.802 16.781 -5.268 1.00 51.54 C ATOM 1985 OE1 GLU A 118 2.929 16.771 -6.162 1.00 62.41 O ATOM 1986 OE2 GLU A 118 4.632 17.710 -5.155 1.00 11.11 O ATOM 0 H GLU A 118 2.293 13.552 -3.466 1.00 25.42 H new ATOM 0 HA GLU A 118 4.036 14.640 -1.655 1.00 15.22 H new ATOM 0 HB2 GLU A 118 1.940 16.060 -3.362 1.00 63.15 H new ATOM 0 HB3 GLU A 118 3.293 16.867 -2.595 1.00 63.15 H new ATOM 0 HG2 GLU A 118 4.863 15.463 -3.943 1.00 42.13 H new ATOM 0 HG3 GLU A 118 3.490 14.721 -4.739 1.00 42.13 H new ATOM 1993 N ARG A 119 0.899 15.166 -0.769 1.00 20.45 N ATOM 1994 CA ARG A 119 0.024 15.606 0.322 1.00 11.10 C ATOM 1995 C ARG A 119 0.038 14.586 1.474 1.00 74.55 C ATOM 1996 O ARG A 119 0.189 14.949 2.644 1.00 43.30 O ATOM 1997 CB ARG A 119 -1.417 15.808 -0.184 1.00 14.31 C ATOM 1998 CG ARG A 119 -1.599 16.965 -1.175 1.00 52.03 C ATOM 1999 CD ARG A 119 -0.957 16.689 -2.535 1.00 1.33 C ATOM 2000 NE ARG A 119 -1.222 17.765 -3.490 1.00 1.13 N ATOM 2001 CZ ARG A 119 -0.489 18.021 -4.541 1.00 63.33 C ATOM 2002 NH1 ARG A 119 0.539 17.289 -4.825 1.00 24.23 N ATOM 2003 NH2 ARG A 119 -0.807 18.997 -5.327 1.00 10.32 N ATOM 0 H ARG A 119 0.409 14.723 -1.546 1.00 20.45 H new ATOM 0 HA ARG A 119 0.401 16.559 0.693 1.00 11.10 H new ATOM 0 HB2 ARG A 119 -1.752 14.886 -0.659 1.00 14.31 H new ATOM 0 HB3 ARG A 119 -2.067 15.979 0.674 1.00 14.31 H new ATOM 0 HG2 ARG A 119 -2.663 17.155 -1.313 1.00 52.03 H new ATOM 0 HG3 ARG A 119 -1.166 17.871 -0.751 1.00 52.03 H new ATOM 0 HD2 ARG A 119 0.119 16.570 -2.411 1.00 1.33 H new ATOM 0 HD3 ARG A 119 -1.338 15.748 -2.933 1.00 1.33 H new ATOM 0 HE ARG A 119 -2.036 18.357 -3.324 1.00 1.13 H new ATOM 0 HH11 ARG A 119 0.786 16.501 -4.226 1.00 24.23 H new ATOM 0 HH12 ARG A 119 1.103 17.499 -5.648 1.00 24.23 H new ATOM 0 HH21 ARG A 119 -1.629 19.566 -5.126 1.00 10.32 H new ATOM 0 HH22 ARG A 119 -0.236 19.198 -6.148 1.00 10.32 H new ATOM 2017 N LEU A 120 -0.098 13.306 1.121 1.00 41.34 N ATOM 2018 CA LEU A 120 -0.119 12.211 2.102 1.00 62.51 C ATOM 2019 C LEU A 120 1.126 12.228 3.004 1.00 41.53 C ATOM 2020 O LEU A 120 1.035 11.989 4.210 1.00 5.30 O ATOM 2021 CB LEU A 120 -0.215 10.863 1.374 1.00 65.13 C ATOM 2022 CG LEU A 120 -1.453 10.692 0.479 1.00 25.14 C ATOM 2023 CD1 LEU A 120 -1.386 9.378 -0.294 1.00 52.52 C ATOM 2024 CD2 LEU A 120 -2.734 10.770 1.307 1.00 12.41 C ATOM 0 H LEU A 120 -0.196 12.997 0.154 1.00 41.34 H new ATOM 0 HA LEU A 120 -0.993 12.351 2.739 1.00 62.51 H new ATOM 0 HB2 LEU A 120 0.677 10.734 0.762 1.00 65.13 H new ATOM 0 HB3 LEU A 120 -0.210 10.065 2.117 1.00 65.13 H new ATOM 0 HG LEU A 120 -1.465 11.509 -0.243 1.00 25.14 H new ATOM 0 HD11 LEU A 120 -2.272 9.279 -0.920 1.00 52.52 H new ATOM 0 HD12 LEU A 120 -0.495 9.370 -0.922 1.00 52.52 H new ATOM 0 HD13 LEU A 120 -1.342 8.545 0.408 1.00 52.52 H new ATOM 0 HD21 LEU A 120 -3.598 10.647 0.654 1.00 12.41 H new ATOM 0 HD22 LEU A 120 -2.731 9.980 2.058 1.00 12.41 H new ATOM 0 HD23 LEU A 120 -2.789 11.740 1.802 1.00 12.41 H new ATOM 2036 N ILE A 121 2.286 12.516 2.410 1.00 20.11 N ATOM 2037 CA ILE A 121 3.549 12.602 3.157 1.00 35.02 C ATOM 2038 C ILE A 121 3.460 13.616 4.307 1.00 32.33 C ATOM 2039 O ILE A 121 3.988 13.382 5.390 1.00 34.23 O ATOM 2040 CB ILE A 121 4.734 12.980 2.224 1.00 30.44 C ATOM 2041 CG1 ILE A 121 4.980 11.862 1.197 1.00 32.35 C ATOM 2042 CG2 ILE A 121 6.004 13.264 3.035 1.00 62.12 C ATOM 2043 CD1 ILE A 121 6.089 12.162 0.208 1.00 14.24 C ATOM 0 H ILE A 121 2.380 12.695 1.410 1.00 20.11 H new ATOM 0 HA ILE A 121 3.731 11.613 3.578 1.00 35.02 H new ATOM 0 HB ILE A 121 4.471 13.892 1.688 1.00 30.44 H new ATOM 0 HG12 ILE A 121 5.221 10.942 1.729 1.00 32.35 H new ATOM 0 HG13 ILE A 121 4.057 11.679 0.647 1.00 32.35 H new ATOM 0 HG21 ILE A 121 6.817 13.526 2.358 1.00 62.12 H new ATOM 0 HG22 ILE A 121 5.821 14.092 3.720 1.00 62.12 H new ATOM 0 HG23 ILE A 121 6.278 12.376 3.605 1.00 62.12 H new ATOM 0 HD11 ILE A 121 6.199 11.324 -0.481 1.00 14.24 H new ATOM 0 HD12 ILE A 121 5.842 13.063 -0.353 1.00 14.24 H new ATOM 0 HD13 ILE A 121 7.025 12.314 0.746 1.00 14.24 H new ATOM 2055 N ARG A 122 2.771 14.728 4.070 1.00 23.44 N ATOM 2056 CA ARG A 122 2.631 15.786 5.079 1.00 12.13 C ATOM 2057 C ARG A 122 1.586 15.423 6.147 1.00 75.13 C ATOM 2058 O ARG A 122 1.641 15.908 7.280 1.00 2.14 O ATOM 2059 CB ARG A 122 2.259 17.110 4.401 1.00 41.14 C ATOM 2060 CG ARG A 122 3.305 17.589 3.399 1.00 65.42 C ATOM 2061 CD ARG A 122 2.890 18.884 2.713 1.00 72.25 C ATOM 2062 NE ARG A 122 3.898 19.342 1.757 1.00 34.14 N ATOM 2063 CZ ARG A 122 3.719 20.316 0.909 1.00 21.40 C ATOM 2064 NH1 ARG A 122 2.591 20.952 0.862 1.00 62.24 N ATOM 2065 NH2 ARG A 122 4.671 20.649 0.102 1.00 1.12 N ATOM 0 H ARG A 122 2.298 14.925 3.188 1.00 23.44 H new ATOM 0 HA ARG A 122 3.591 15.894 5.584 1.00 12.13 H new ATOM 0 HB2 ARG A 122 1.303 16.993 3.890 1.00 41.14 H new ATOM 0 HB3 ARG A 122 2.120 17.875 5.165 1.00 41.14 H new ATOM 0 HG2 ARG A 122 4.255 17.739 3.911 1.00 65.42 H new ATOM 0 HG3 ARG A 122 3.467 16.817 2.647 1.00 65.42 H new ATOM 0 HD2 ARG A 122 1.942 18.734 2.197 1.00 72.25 H new ATOM 0 HD3 ARG A 122 2.725 19.656 3.464 1.00 72.25 H new ATOM 0 HE ARG A 122 4.801 18.868 1.754 1.00 34.14 H new ATOM 0 HH11 ARG A 122 1.832 20.692 1.492 1.00 62.24 H new ATOM 0 HH12 ARG A 122 2.462 21.712 0.195 1.00 62.24 H new ATOM 0 HH21 ARG A 122 5.560 20.150 0.129 1.00 1.12 H new ATOM 0 HH22 ARG A 122 4.533 21.411 -0.562 1.00 1.12 H new ATOM 2079 N GLU A 123 0.630 14.575 5.779 1.00 45.13 N ATOM 2080 CA GLU A 123 -0.385 14.099 6.723 1.00 20.51 C ATOM 2081 C GLU A 123 0.205 13.072 7.707 1.00 22.24 C ATOM 2082 O GLU A 123 0.027 13.187 8.923 1.00 34.13 O ATOM 2083 CB GLU A 123 -1.573 13.486 5.962 1.00 13.13 C ATOM 2084 CG GLU A 123 -2.304 14.477 5.056 1.00 23.30 C ATOM 2085 CD GLU A 123 -3.501 13.859 4.348 1.00 30.13 C ATOM 2086 OE1 GLU A 123 -4.594 13.805 4.950 1.00 44.50 O ATOM 2087 OE2 GLU A 123 -3.362 13.426 3.186 1.00 22.24 O ATOM 0 H GLU A 123 0.534 14.201 4.835 1.00 45.13 H new ATOM 0 HA GLU A 123 -0.735 14.955 7.300 1.00 20.51 H new ATOM 0 HB2 GLU A 123 -1.214 12.653 5.358 1.00 13.13 H new ATOM 0 HB3 GLU A 123 -2.281 13.076 6.682 1.00 13.13 H new ATOM 0 HG2 GLU A 123 -2.639 15.327 5.651 1.00 23.30 H new ATOM 0 HG3 GLU A 123 -1.608 14.863 4.312 1.00 23.30 H new