USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 71 THR OG1 : rot 125:sc= 0.0248 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 12 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.11 (180deg=-0.511) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= -0.164 (180deg=-0.194) USER MOD Single : A 21 SER OG : rot 45:sc= 1.22 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.96 (180deg=1.78) USER MOD Single : A 32 GLN : amide:sc= 0.759 K(o=0.76,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.174 K(o=0.17,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot -122:sc= 0.529 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= 0.376 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 90:sc= 1.58 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.602 0.443 -7.185 1.00 0.00 N ATOM 29 CA LEU A 3 8.181 0.234 -7.438 1.00 0.00 C ATOM 30 C LEU A 3 7.484 1.558 -7.184 1.00 0.00 C ATOM 31 O LEU A 3 7.532 2.071 -6.066 1.00 0.00 O ATOM 32 CB LEU A 3 7.600 -0.893 -6.581 1.00 0.00 C ATOM 33 CG LEU A 3 8.106 -2.309 -6.919 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.682 -2.574 -8.318 1.00 0.00 C ATOM 35 CD2 LEU A 3 9.108 -2.813 -5.881 1.00 0.00 C ATOM 0 HA LEU A 3 8.026 -0.086 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.826 -0.685 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.515 -0.880 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 3 7.169 -2.865 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.992 -3.616 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.921 -2.367 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.543 -1.927 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.442 -3.814 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.966 -2.141 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.632 -2.844 -4.901 1.00 0.00 H new ATOM 47 N VAL A 4 6.892 2.128 -8.229 1.00 0.00 N ATOM 48 CA VAL A 4 6.205 3.411 -8.196 1.00 0.00 C ATOM 49 C VAL A 4 4.891 3.259 -8.997 1.00 0.00 C ATOM 50 O VAL A 4 4.593 3.995 -9.946 1.00 0.00 O ATOM 51 CB VAL A 4 7.148 4.518 -8.713 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.478 5.905 -8.694 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.445 4.595 -7.883 1.00 0.00 C ATOM 0 H VAL A 4 6.878 1.694 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 4 5.936 3.714 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 4 7.386 4.247 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.179 6.653 -9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.592 5.890 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.188 6.155 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.083 5.386 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.199 4.812 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.971 3.642 -7.941 1.00 0.00 H new ATOM 63 N LEU A 5 4.091 2.258 -8.649 1.00 0.00 N ATOM 64 CA LEU A 5 2.732 2.061 -9.132 1.00 0.00 C ATOM 65 C LEU A 5 2.116 0.944 -8.305 1.00 0.00 C ATOM 66 O LEU A 5 2.622 -0.180 -8.327 1.00 0.00 O ATOM 67 CB LEU A 5 2.670 1.683 -10.626 1.00 0.00 C ATOM 68 CG LEU A 5 3.664 0.607 -11.136 1.00 0.00 C ATOM 69 CD1 LEU A 5 2.923 -0.538 -11.832 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.638 1.200 -12.158 1.00 0.00 C ATOM 0 H LEU A 5 4.385 1.532 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 5 2.189 3.000 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.660 1.337 -10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.829 2.590 -11.209 1.00 0.00 H new ATOM 0 HG LEU A 5 4.202 0.240 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.643 -1.279 -12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.233 -1.005 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.365 -0.146 -12.683 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.324 0.425 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.080 1.591 -13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.205 2.007 -11.694 1.00 0.00 H new ATOM 82 N VAL A 6 1.005 1.209 -7.624 1.00 0.00 N ATOM 83 CA VAL A 6 0.300 0.200 -6.846 1.00 0.00 C ATOM 84 C VAL A 6 -1.175 0.201 -7.259 1.00 0.00 C ATOM 85 O VAL A 6 -2.080 0.211 -6.431 1.00 0.00 O ATOM 86 CB VAL A 6 0.641 0.357 -5.350 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.394 1.781 -4.850 1.00 0.00 C ATOM 88 CG2 VAL A 6 -0.065 -0.665 -4.455 1.00 0.00 C ATOM 0 H VAL A 6 0.569 2.131 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 6 0.630 -0.817 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 6 1.709 0.152 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.648 1.844 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.014 2.477 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.656 2.038 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.220 -0.497 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.144 -0.554 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.226 -1.672 -4.753 1.00 0.00 H new ATOM 98 N LYS A 7 -1.450 0.158 -8.569 1.00 0.00 N ATOM 99 CA LYS A 7 -2.824 0.072 -9.063 1.00 0.00 C ATOM 100 C LYS A 7 -3.033 -1.194 -9.892 1.00 0.00 C ATOM 101 O LYS A 7 -3.881 -1.198 -10.784 1.00 0.00 O ATOM 102 CB LYS A 7 -3.164 1.342 -9.870 1.00 0.00 C ATOM 103 CG LYS A 7 -2.357 1.573 -11.163 1.00 0.00 C ATOM 104 CD LYS A 7 -3.290 2.003 -12.308 1.00 0.00 C ATOM 105 CE LYS A 7 -2.505 2.609 -13.471 1.00 0.00 C ATOM 106 NZ LYS A 7 -3.370 2.964 -14.610 1.00 0.00 N ATOM 0 H LYS A 7 -0.740 0.181 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.504 0.010 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.222 1.308 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.023 2.206 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.600 2.339 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.830 0.659 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.857 1.141 -12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.012 2.730 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.980 3.500 -13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.746 1.900 -13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.791 3.371 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.852 2.111 -14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.078 3.661 -14.304 1.00 0.00 H new ATOM 120 N TYR A 8 -2.410 -2.310 -9.518 1.00 0.00 N ATOM 121 CA TYR A 8 -2.553 -3.577 -10.239 1.00 0.00 C ATOM 122 C TYR A 8 -2.523 -4.735 -9.237 1.00 0.00 C ATOM 123 O TYR A 8 -2.041 -5.829 -9.527 1.00 0.00 O ATOM 124 CB TYR A 8 -1.385 -3.663 -11.254 1.00 0.00 C ATOM 125 CG TYR A 8 -1.766 -3.753 -12.715 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.196 -2.596 -13.388 1.00 0.00 C ATOM 127 CD2 TYR A 8 -1.576 -4.949 -13.432 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.424 -2.628 -14.771 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.788 -4.982 -14.822 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.209 -3.817 -15.500 1.00 0.00 C ATOM 131 OH TYR A 8 -2.370 -3.817 -16.854 1.00 0.00 O ATOM 0 H TYR A 8 -1.792 -2.363 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.501 -3.635 -10.774 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.751 -2.786 -11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.780 -4.535 -11.005 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.351 -1.680 -12.838 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.266 -5.844 -12.913 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.766 -1.739 -15.280 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.629 -5.898 -15.371 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.183 -4.713 -17.206 1.00 0.00 H new ATOM 141 N GLY A 9 -3.121 -4.521 -8.062 1.00 0.00 N ATOM 142 CA GLY A 9 -2.963 -5.393 -6.913 1.00 0.00 C ATOM 143 C GLY A 9 -1.482 -5.571 -6.606 1.00 0.00 C ATOM 144 O GLY A 9 -0.832 -4.729 -5.985 1.00 0.00 O ATOM 0 H GLY A 9 -3.735 -3.725 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.475 -4.969 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.422 -6.361 -7.113 1.00 0.00 H new ATOM 148 N THR A 10 -0.949 -6.679 -7.074 1.00 0.00 N ATOM 149 CA THR A 10 0.217 -7.323 -6.480 1.00 0.00 C ATOM 150 C THR A 10 1.532 -6.970 -7.192 1.00 0.00 C ATOM 151 O THR A 10 2.203 -7.845 -7.736 1.00 0.00 O ATOM 152 CB THR A 10 -0.025 -8.840 -6.305 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.920 -9.371 -7.276 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.657 -9.133 -4.942 1.00 0.00 C ATOM 0 H THR A 10 -1.314 -7.170 -7.890 1.00 0.00 H new ATOM 0 HA THR A 10 0.349 -6.913 -5.479 1.00 0.00 H new ATOM 0 HB THR A 10 0.957 -9.302 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.037 -10.332 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.819 -10.206 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.009 -8.789 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.612 -8.613 -4.864 1.00 0.00 H new ATOM 162 N ASP A 11 1.976 -5.702 -7.155 1.00 0.00 N ATOM 163 CA ASP A 11 3.232 -5.330 -7.833 1.00 0.00 C ATOM 164 C ASP A 11 4.084 -4.290 -7.080 1.00 0.00 C ATOM 165 O ASP A 11 4.709 -3.421 -7.686 1.00 0.00 O ATOM 166 CB ASP A 11 2.895 -4.897 -9.273 1.00 0.00 C ATOM 167 CG ASP A 11 4.115 -4.805 -10.191 1.00 0.00 C ATOM 168 OD1 ASP A 11 5.104 -5.546 -9.995 1.00 0.00 O ATOM 169 OD2 ASP A 11 4.063 -4.035 -11.182 1.00 0.00 O ATOM 0 H ASP A 11 1.501 -4.936 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 11 3.878 -6.208 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.184 -5.605 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.399 -3.927 -9.244 1.00 0.00 H new ATOM 174 N HIS A 12 4.152 -4.393 -5.747 1.00 0.00 N ATOM 175 CA HIS A 12 4.969 -3.558 -4.856 1.00 0.00 C ATOM 176 C HIS A 12 5.088 -4.238 -3.478 1.00 0.00 C ATOM 177 O HIS A 12 4.429 -5.257 -3.277 1.00 0.00 O ATOM 178 CB HIS A 12 4.347 -2.144 -4.795 1.00 0.00 C ATOM 179 CG HIS A 12 3.295 -1.973 -3.730 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.463 -2.954 -3.234 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.127 -0.859 -2.955 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.844 -2.456 -2.159 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.216 -1.188 -1.953 1.00 0.00 N ATOM 0 H HIS A 12 3.614 -5.093 -5.236 1.00 0.00 H new ATOM 0 HA HIS A 12 5.986 -3.449 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 12 5.142 -1.418 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.906 -1.912 -5.765 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.342 -3.891 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.610 0.097 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.143 -3.000 -1.544 1.00 0.00 H new ATOM 191 N PRO A 13 5.919 -3.765 -2.531 1.00 0.00 N ATOM 192 CA PRO A 13 6.075 -4.424 -1.236 1.00 0.00 C ATOM 193 C PRO A 13 4.867 -4.164 -0.338 1.00 0.00 C ATOM 194 O PRO A 13 4.146 -3.233 -0.620 1.00 0.00 O ATOM 195 CB PRO A 13 7.351 -3.812 -0.670 1.00 0.00 C ATOM 196 CG PRO A 13 7.382 -2.390 -1.220 1.00 0.00 C ATOM 197 CD PRO A 13 6.639 -2.499 -2.549 1.00 0.00 C ATOM 0 HA PRO A 13 6.139 -5.509 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.340 -3.814 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.231 -4.375 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.893 -1.689 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.404 -2.037 -1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.949 -1.665 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.337 -2.464 -3.385 1.00 0.00 H new ATOM 205 N VAL A 14 4.668 -4.938 0.739 1.00 0.00 N ATOM 206 CA VAL A 14 3.714 -4.780 1.829 1.00 0.00 C ATOM 207 C VAL A 14 3.717 -6.159 2.477 1.00 0.00 C ATOM 208 O VAL A 14 4.173 -6.287 3.597 1.00 0.00 O ATOM 209 CB VAL A 14 2.338 -4.218 1.381 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.155 -4.747 2.184 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.291 -2.681 1.489 1.00 0.00 C ATOM 0 H VAL A 14 5.234 -5.775 0.875 1.00 0.00 H new ATOM 0 HA VAL A 14 3.985 -4.010 2.551 1.00 0.00 H new ATOM 0 HB VAL A 14 2.245 -4.554 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.233 -4.305 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.104 -5.831 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.281 -4.483 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.313 -2.323 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.464 -2.383 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.063 -2.248 0.853 1.00 0.00 H new ATOM 221 N GLU A 15 3.408 -7.221 1.732 1.00 0.00 N ATOM 222 CA GLU A 15 3.223 -8.580 2.265 1.00 0.00 C ATOM 223 C GLU A 15 3.739 -9.611 1.265 1.00 0.00 C ATOM 224 O GLU A 15 3.103 -10.636 1.058 1.00 0.00 O ATOM 225 CB GLU A 15 1.736 -8.813 2.650 1.00 0.00 C ATOM 226 CG GLU A 15 1.297 -8.004 3.876 1.00 0.00 C ATOM 227 CD GLU A 15 0.119 -8.578 4.665 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.015 -9.798 4.895 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.661 -7.753 5.198 1.00 0.00 O ATOM 0 H GLU A 15 3.276 -7.164 0.722 1.00 0.00 H new ATOM 0 HA GLU A 15 3.808 -8.696 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.102 -8.550 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.580 -9.874 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.149 -7.909 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.035 -6.998 3.549 1.00 0.00 H new ATOM 236 N LYS A 16 4.907 -9.335 0.660 1.00 0.00 N ATOM 237 CA LYS A 16 5.721 -10.229 -0.181 1.00 0.00 C ATOM 238 C LYS A 16 6.907 -9.478 -0.730 1.00 0.00 C ATOM 239 O LYS A 16 8.006 -9.738 -0.268 1.00 0.00 O ATOM 240 CB LYS A 16 4.920 -10.860 -1.333 1.00 0.00 C ATOM 241 CG LYS A 16 5.659 -11.966 -2.087 1.00 0.00 C ATOM 242 CD LYS A 16 5.726 -13.269 -1.272 1.00 0.00 C ATOM 243 CE LYS A 16 6.105 -14.489 -2.123 1.00 0.00 C ATOM 244 NZ LYS A 16 5.195 -14.688 -3.268 1.00 0.00 N ATOM 0 H LYS A 16 5.338 -8.415 0.753 1.00 0.00 H new ATOM 0 HA LYS A 16 6.058 -11.046 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.992 -11.268 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.645 -10.077 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.157 -12.156 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.670 -11.632 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.454 -13.152 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.759 -13.447 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.124 -14.368 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.095 -15.381 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.292 -15.660 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.214 -14.527 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.437 -14.017 -4.025 1.00 0.00 H new ATOM 258 N LEU A 17 6.724 -8.499 -1.618 1.00 0.00 N ATOM 259 CA LEU A 17 7.852 -7.769 -2.199 1.00 0.00 C ATOM 260 C LEU A 17 8.690 -7.082 -1.114 1.00 0.00 C ATOM 261 O LEU A 17 9.888 -6.883 -1.291 1.00 0.00 O ATOM 262 CB LEU A 17 7.363 -6.789 -3.286 1.00 0.00 C ATOM 263 CG LEU A 17 7.802 -7.221 -4.691 1.00 0.00 C ATOM 264 CD1 LEU A 17 6.983 -6.457 -5.732 1.00 0.00 C ATOM 265 CD2 LEU A 17 9.292 -6.932 -4.888 1.00 0.00 C ATOM 0 H LEU A 17 5.809 -8.194 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 17 8.514 -8.484 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.276 -6.722 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.751 -5.792 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 17 7.635 -8.292 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.292 -6.761 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.924 -6.678 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.148 -5.386 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.594 -7.242 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.474 -5.864 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.871 -7.484 -4.147 1.00 0.00 H new ATOM 277 N LYS A 18 8.086 -6.786 0.048 1.00 0.00 N ATOM 278 CA LYS A 18 8.796 -6.265 1.217 1.00 0.00 C ATOM 279 C LYS A 18 9.852 -7.270 1.694 1.00 0.00 C ATOM 280 O LYS A 18 10.919 -6.873 2.123 1.00 0.00 O ATOM 281 CB LYS A 18 7.818 -5.827 2.341 1.00 0.00 C ATOM 282 CG LYS A 18 7.762 -6.694 3.611 1.00 0.00 C ATOM 283 CD LYS A 18 7.001 -8.005 3.381 1.00 0.00 C ATOM 284 CE LYS A 18 7.377 -9.193 4.271 1.00 0.00 C ATOM 285 NZ LYS A 18 7.794 -8.857 5.653 1.00 0.00 N ATOM 0 H LYS A 18 7.084 -6.904 0.199 1.00 0.00 H new ATOM 0 HA LYS A 18 9.326 -5.359 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.080 -4.812 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.815 -5.786 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.776 -6.917 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.282 -6.132 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.937 -7.807 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.144 -8.302 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.523 -9.868 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.187 -9.741 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.042 -9.729 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.621 -8.227 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.012 -8.379 6.145 1.00 0.00 H new ATOM 299 N ILE A 19 9.572 -8.571 1.646 1.00 0.00 N ATOM 300 CA ILE A 19 10.461 -9.607 2.150 1.00 0.00 C ATOM 301 C ILE A 19 11.716 -9.664 1.290 1.00 0.00 C ATOM 302 O ILE A 19 12.781 -10.045 1.766 1.00 0.00 O ATOM 303 CB ILE A 19 9.695 -10.958 2.218 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.918 -11.633 3.586 1.00 0.00 C ATOM 305 CG2 ILE A 19 9.989 -11.954 1.077 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.679 -12.417 4.016 1.00 0.00 C ATOM 0 H ILE A 19 8.707 -8.937 1.249 1.00 0.00 H new ATOM 0 HA ILE A 19 10.788 -9.379 3.165 1.00 0.00 H new ATOM 0 HB ILE A 19 8.648 -10.687 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.776 -12.303 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.153 -10.877 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.402 -12.860 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.724 -11.501 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.050 -12.205 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.862 -12.884 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.829 -11.739 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.462 -13.188 3.277 1.00 0.00 H new ATOM 318 N ARG A 20 11.597 -9.251 0.025 1.00 0.00 N ATOM 319 CA ARG A 20 12.734 -9.214 -0.875 1.00 0.00 C ATOM 320 C ARG A 20 13.642 -8.011 -0.607 1.00 0.00 C ATOM 321 O ARG A 20 14.751 -8.008 -1.136 1.00 0.00 O ATOM 322 CB ARG A 20 12.235 -9.268 -2.323 1.00 0.00 C ATOM 323 CG ARG A 20 11.577 -10.623 -2.659 1.00 0.00 C ATOM 324 CD ARG A 20 10.101 -10.534 -3.043 1.00 0.00 C ATOM 325 NE ARG A 20 9.656 -11.737 -3.767 1.00 0.00 N ATOM 326 CZ ARG A 20 9.446 -11.826 -5.087 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.744 -10.808 -5.884 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.953 -12.941 -5.614 1.00 0.00 N ATOM 0 H ARG A 20 10.720 -8.939 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 20 13.358 -10.090 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.516 -8.465 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.070 -9.093 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.125 -11.085 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.676 -11.284 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.498 -10.405 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.939 -9.654 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 20 9.493 -12.578 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.135 -9.951 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.582 -10.882 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.732 -13.735 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.795 -13.003 -6.620 1.00 0.00 H new ATOM 342 N SER A 21 13.217 -7.018 0.190 1.00 0.00 N ATOM 343 CA SER A 21 13.921 -5.792 0.577 1.00 0.00 C ATOM 344 C SER A 21 12.902 -4.813 1.183 1.00 0.00 C ATOM 345 O SER A 21 12.248 -4.066 0.453 1.00 0.00 O ATOM 346 CB SER A 21 14.627 -5.131 -0.620 1.00 0.00 C ATOM 347 OG SER A 21 15.892 -5.723 -0.872 1.00 0.00 O ATOM 0 H SER A 21 12.291 -7.059 0.615 1.00 0.00 H new ATOM 0 HA SER A 21 14.690 -6.050 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.000 -5.219 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.755 -4.066 -0.425 1.00 0.00 H new ATOM 0 HG SER A 21 15.810 -6.699 -0.834 1.00 0.00 H new ATOM 353 N ALA A 22 12.765 -4.827 2.508 1.00 0.00 N ATOM 354 CA ALA A 22 12.162 -3.808 3.361 1.00 0.00 C ATOM 355 C ALA A 22 12.761 -4.001 4.744 1.00 0.00 C ATOM 356 O ALA A 22 13.263 -5.081 5.074 1.00 0.00 O ATOM 357 CB ALA A 22 10.619 -3.923 3.440 1.00 0.00 C ATOM 0 H ALA A 22 13.102 -5.618 3.057 1.00 0.00 H new ATOM 0 HA ALA A 22 12.369 -2.821 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.228 -3.139 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.194 -3.814 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.347 -4.898 3.845 1.00 0.00 H new ATOM 363 N LYS A 23 12.652 -2.973 5.571 1.00 0.00 N ATOM 364 CA LYS A 23 12.913 -3.037 6.997 1.00 0.00 C ATOM 365 C LYS A 23 11.749 -2.350 7.678 1.00 0.00 C ATOM 366 O LYS A 23 10.776 -1.973 7.015 1.00 0.00 O ATOM 367 CB LYS A 23 14.274 -2.397 7.324 1.00 0.00 C ATOM 368 CG LYS A 23 15.165 -3.298 8.189 1.00 0.00 C ATOM 369 CD LYS A 23 15.659 -4.562 7.464 1.00 0.00 C ATOM 370 CE LYS A 23 16.603 -4.267 6.291 1.00 0.00 C ATOM 371 NZ LYS A 23 18.008 -4.053 6.700 1.00 0.00 N ATOM 0 H LYS A 23 12.371 -2.044 5.257 1.00 0.00 H new ATOM 0 HA LYS A 23 12.986 -4.063 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.794 -2.166 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.110 -1.452 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.028 -2.724 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.611 -3.594 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.172 -5.204 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.798 -5.119 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.561 -5.096 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.248 -3.381 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.589 -3.859 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.061 -3.244 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.364 -4.905 7.178 1.00 0.00 H new ATOM 385 N ALA A 24 11.811 -2.211 8.999 1.00 0.00 N ATOM 386 CA ALA A 24 10.676 -1.626 9.692 1.00 0.00 C ATOM 387 C ALA A 24 10.537 -0.134 9.384 1.00 0.00 C ATOM 388 O ALA A 24 9.508 0.458 9.713 1.00 0.00 O ATOM 389 CB ALA A 24 10.759 -1.820 11.208 1.00 0.00 C ATOM 0 H ALA A 24 12.599 -2.483 9.587 1.00 0.00 H new ATOM 0 HA ALA A 24 9.796 -2.153 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.888 -1.366 11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.782 -2.885 11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.665 -1.347 11.586 1.00 0.00 H new ATOM 395 N GLU A 25 11.560 0.507 8.807 1.00 0.00 N ATOM 396 CA GLU A 25 11.584 1.944 8.584 1.00 0.00 C ATOM 397 C GLU A 25 11.310 2.293 7.138 1.00 0.00 C ATOM 398 O GLU A 25 11.735 3.332 6.633 1.00 0.00 O ATOM 399 CB GLU A 25 12.868 2.603 9.110 1.00 0.00 C ATOM 400 CG GLU A 25 14.059 1.680 9.313 1.00 0.00 C ATOM 401 CD GLU A 25 14.700 1.154 8.027 1.00 0.00 C ATOM 402 OE1 GLU A 25 14.014 1.059 6.995 1.00 0.00 O ATOM 403 OE2 GLU A 25 15.912 0.823 8.064 1.00 0.00 O ATOM 0 H GLU A 25 12.401 0.030 8.481 1.00 0.00 H new ATOM 0 HA GLU A 25 10.768 2.364 9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.159 3.391 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.641 3.085 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.817 2.212 9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.741 0.830 9.916 1.00 0.00 H new ATOM 410 N ASP A 26 10.419 1.534 6.525 1.00 0.00 N ATOM 411 CA ASP A 26 10.104 1.764 5.135 1.00 0.00 C ATOM 412 C ASP A 26 8.730 2.418 5.086 1.00 0.00 C ATOM 413 O ASP A 26 7.941 2.299 6.036 1.00 0.00 O ATOM 414 CB ASP A 26 10.220 0.434 4.382 1.00 0.00 C ATOM 415 CG ASP A 26 10.926 0.550 3.025 1.00 0.00 C ATOM 416 OD1 ASP A 26 11.977 1.227 2.955 1.00 0.00 O ATOM 417 OD2 ASP A 26 10.487 -0.087 2.045 1.00 0.00 O ATOM 0 H ASP A 26 9.910 0.766 6.963 1.00 0.00 H new ATOM 0 HA ASP A 26 10.795 2.443 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.762 -0.278 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.221 0.026 4.228 1.00 0.00 H new ATOM 422 N LYS A 27 8.424 3.135 4.011 1.00 0.00 N ATOM 423 CA LYS A 27 7.089 3.676 3.787 1.00 0.00 C ATOM 424 C LYS A 27 6.507 2.920 2.607 1.00 0.00 C ATOM 425 O LYS A 27 7.231 2.652 1.653 1.00 0.00 O ATOM 426 CB LYS A 27 7.115 5.174 3.476 1.00 0.00 C ATOM 427 CG LYS A 27 7.279 6.154 4.646 1.00 0.00 C ATOM 428 CD LYS A 27 8.740 6.476 4.988 1.00 0.00 C ATOM 429 CE LYS A 27 8.852 7.800 5.764 1.00 0.00 C ATOM 430 NZ LYS A 27 8.669 8.989 4.896 1.00 0.00 N ATOM 0 H LYS A 27 9.092 3.357 3.273 1.00 0.00 H new ATOM 0 HA LYS A 27 6.490 3.556 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.929 5.354 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.188 5.423 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.760 7.082 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.793 5.736 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.164 5.666 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.326 6.539 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.105 7.816 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.829 7.853 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.670 9.849 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.446 9.039 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.763 8.914 4.391 1.00 0.00 H new ATOM 444 N ILE A 28 5.226 2.562 2.674 1.00 0.00 N ATOM 445 CA ILE A 28 4.484 2.000 1.563 1.00 0.00 C ATOM 446 C ILE A 28 3.012 2.384 1.756 1.00 0.00 C ATOM 447 O ILE A 28 2.581 2.657 2.884 1.00 0.00 O ATOM 448 CB ILE A 28 4.648 0.465 1.479 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.982 -0.145 2.009 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.527 0.119 -0.015 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.888 -1.643 2.253 1.00 0.00 C ATOM 0 H ILE A 28 4.669 2.659 3.523 1.00 0.00 H new ATOM 0 HA ILE A 28 4.867 2.398 0.623 1.00 0.00 H new ATOM 0 HB ILE A 28 3.888 0.038 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.777 0.052 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.261 0.353 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.634 -0.957 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.551 0.435 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.310 0.634 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.845 -2.012 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.113 -1.843 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.638 -2.149 1.320 1.00 0.00 H new ATOM 463 N VAL A 29 2.250 2.393 0.661 1.00 0.00 N ATOM 464 CA VAL A 29 0.816 2.666 0.597 1.00 0.00 C ATOM 465 C VAL A 29 0.204 1.834 -0.546 1.00 0.00 C ATOM 466 O VAL A 29 0.942 1.447 -1.444 1.00 0.00 O ATOM 467 CB VAL A 29 0.563 4.180 0.424 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.905 4.559 0.144 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.005 4.938 1.685 1.00 0.00 C ATOM 0 H VAL A 29 2.643 2.198 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 29 0.332 2.375 1.529 1.00 0.00 H new ATOM 0 HB VAL A 29 1.147 4.461 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.987 5.641 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.236 4.077 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.531 4.228 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.822 6.004 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.439 4.577 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.069 4.771 1.856 1.00 0.00 H new ATOM 479 N LEU A 30 -1.116 1.583 -0.547 1.00 0.00 N ATOM 480 CA LEU A 30 -1.859 0.844 -1.574 1.00 0.00 C ATOM 481 C LEU A 30 -2.912 1.741 -2.199 1.00 0.00 C ATOM 482 O LEU A 30 -3.582 2.462 -1.464 1.00 0.00 O ATOM 483 CB LEU A 30 -2.594 -0.399 -1.005 1.00 0.00 C ATOM 484 CG LEU A 30 -2.072 -1.098 0.257 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.030 -2.231 0.654 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.703 -1.714 0.023 1.00 0.00 C ATOM 0 H LEU A 30 -1.721 1.907 0.207 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.121 0.516 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.624 -0.102 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.625 -1.146 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.003 -0.346 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.657 -2.726 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.019 -1.818 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.095 -2.954 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.362 -2.201 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.767 -2.450 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.004 -0.933 -0.257 1.00 0.00 H new ATOM 498 N ILE A 31 -3.127 1.643 -3.514 1.00 0.00 N ATOM 499 CA ILE A 31 -4.188 2.361 -4.218 1.00 0.00 C ATOM 500 C ILE A 31 -4.997 1.389 -5.078 1.00 0.00 C ATOM 501 O ILE A 31 -4.697 0.203 -5.123 1.00 0.00 O ATOM 502 CB ILE A 31 -3.650 3.626 -4.932 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.336 3.375 -6.417 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.490 4.335 -4.201 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.999 4.613 -7.243 1.00 0.00 C ATOM 0 H ILE A 31 -2.561 1.055 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.904 2.769 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.478 4.334 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.498 2.681 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.194 2.880 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.179 5.209 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.822 4.649 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.649 3.649 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.795 4.319 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.842 5.304 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.119 5.101 -6.824 1.00 0.00 H new ATOM 517 N GLN A 32 -6.027 1.886 -5.757 1.00 0.00 N ATOM 518 CA GLN A 32 -6.860 1.236 -6.768 1.00 0.00 C ATOM 519 C GLN A 32 -7.069 -0.263 -6.519 1.00 0.00 C ATOM 520 O GLN A 32 -7.778 -0.630 -5.592 1.00 0.00 O ATOM 521 CB GLN A 32 -6.388 1.547 -8.191 1.00 0.00 C ATOM 522 CG GLN A 32 -6.229 3.055 -8.464 1.00 0.00 C ATOM 523 CD GLN A 32 -7.215 3.621 -9.473 1.00 0.00 C ATOM 524 OE1 GLN A 32 -6.929 3.676 -10.666 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.360 4.099 -9.021 1.00 0.00 N ATOM 0 H GLN A 32 -6.330 2.847 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.852 1.677 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.434 1.050 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.100 1.129 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.341 3.595 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.216 3.242 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.579 4.044 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.026 4.524 -9.667 1.00 0.00 H new ATOM 534 N ASN A 33 -6.437 -1.141 -7.308 1.00 0.00 N ATOM 535 CA ASN A 33 -6.486 -2.589 -7.101 1.00 0.00 C ATOM 536 C ASN A 33 -5.397 -3.053 -6.149 1.00 0.00 C ATOM 537 O ASN A 33 -5.571 -4.074 -5.503 1.00 0.00 O ATOM 538 CB ASN A 33 -6.380 -3.336 -8.436 1.00 0.00 C ATOM 539 CG ASN A 33 -7.570 -2.978 -9.331 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.712 -3.333 -9.035 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.363 -2.197 -10.377 1.00 0.00 N ATOM 0 H ASN A 33 -5.875 -0.862 -8.112 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.450 -2.820 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.447 -3.075 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.357 -4.411 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.151 -1.885 -10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.415 -1.906 -10.617 1.00 0.00 H new ATOM 548 N GLY A 34 -4.294 -2.312 -6.008 1.00 0.00 N ATOM 549 CA GLY A 34 -3.296 -2.491 -4.956 1.00 0.00 C ATOM 550 C GLY A 34 -3.904 -2.662 -3.569 1.00 0.00 C ATOM 551 O GLY A 34 -3.327 -3.357 -2.740 1.00 0.00 O ATOM 0 H GLY A 34 -4.066 -1.548 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.687 -3.365 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.628 -1.630 -4.948 1.00 0.00 H new ATOM 555 N VAL A 35 -5.089 -2.104 -3.309 1.00 0.00 N ATOM 556 CA VAL A 35 -5.838 -2.342 -2.075 1.00 0.00 C ATOM 557 C VAL A 35 -5.919 -3.835 -1.689 1.00 0.00 C ATOM 558 O VAL A 35 -6.051 -4.139 -0.500 1.00 0.00 O ATOM 559 CB VAL A 35 -7.241 -1.721 -2.183 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.182 -0.205 -2.428 1.00 0.00 C ATOM 561 CG2 VAL A 35 -8.146 -2.442 -3.198 1.00 0.00 C ATOM 0 H VAL A 35 -5.558 -1.469 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.288 -1.856 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.712 -1.869 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.195 0.192 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.659 0.277 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.650 -0.007 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.121 -1.955 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.690 -2.399 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.269 -3.483 -2.900 1.00 0.00 H new ATOM 571 N PHE A 36 -5.803 -4.761 -2.657 1.00 0.00 N ATOM 572 CA PHE A 36 -5.742 -6.203 -2.455 1.00 0.00 C ATOM 573 C PHE A 36 -4.661 -6.667 -1.462 1.00 0.00 C ATOM 574 O PHE A 36 -4.792 -7.760 -0.914 1.00 0.00 O ATOM 575 CB PHE A 36 -5.466 -6.893 -3.801 1.00 0.00 C ATOM 576 CG PHE A 36 -6.479 -6.795 -4.933 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.714 -6.124 -4.809 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.123 -7.354 -6.176 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.558 -5.993 -5.924 1.00 0.00 C ATOM 580 CE2 PHE A 36 -6.958 -7.204 -7.294 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.168 -6.503 -7.170 1.00 0.00 C ATOM 0 H PHE A 36 -5.747 -4.504 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.708 -6.478 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.521 -6.501 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.312 -7.952 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.010 -5.711 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.198 -7.904 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.512 -5.497 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.671 -7.626 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.798 -6.357 -8.035 1.00 0.00 H new ATOM 591 N TRP A 37 -3.582 -5.915 -1.210 1.00 0.00 N ATOM 592 CA TRP A 37 -2.587 -6.364 -0.225 1.00 0.00 C ATOM 593 C TRP A 37 -3.182 -6.353 1.185 1.00 0.00 C ATOM 594 O TRP A 37 -2.670 -7.054 2.059 1.00 0.00 O ATOM 595 CB TRP A 37 -1.282 -5.561 -0.218 1.00 0.00 C ATOM 596 CG TRP A 37 -0.451 -5.625 -1.464 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.503 -4.783 -2.518 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.602 -6.577 -1.784 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.386 -5.197 -3.486 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.145 -6.268 -3.061 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.149 -7.683 -1.113 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.202 -7.007 -3.622 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.207 -8.425 -1.658 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.769 -8.071 -2.900 1.00 0.00 C ATOM 0 H TRP A 37 -3.378 -5.021 -1.657 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.328 -7.377 -0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.525 -4.516 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.673 -5.907 0.617 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.144 -3.917 -2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.473 -4.764 -4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.745 -7.969 -0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.576 -6.758 -4.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.595 -9.277 -1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.621 -8.608 -3.291 1.00 0.00 H new ATOM 615 N ALA A 38 -4.250 -5.586 1.444 1.00 0.00 N ATOM 616 CA ALA A 38 -4.847 -5.438 2.769 1.00 0.00 C ATOM 617 C ALA A 38 -5.758 -6.607 3.117 1.00 0.00 C ATOM 618 O ALA A 38 -6.788 -6.398 3.757 1.00 0.00 O ATOM 619 CB ALA A 38 -5.591 -4.099 2.836 1.00 0.00 C ATOM 0 H ALA A 38 -4.728 -5.044 0.724 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.053 -5.443 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.040 -3.981 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.890 -3.284 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.373 -4.079 2.077 1.00 0.00 H new ATOM 625 N LEU A 39 -5.345 -7.819 2.737 1.00 0.00 N ATOM 626 CA LEU A 39 -6.087 -9.071 2.816 1.00 0.00 C ATOM 627 C LEU A 39 -5.229 -10.224 2.273 1.00 0.00 C ATOM 628 O LEU A 39 -5.720 -11.157 1.641 1.00 0.00 O ATOM 629 CB LEU A 39 -7.467 -8.888 2.153 1.00 0.00 C ATOM 630 CG LEU A 39 -7.560 -8.147 0.799 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.476 -9.063 -0.421 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.872 -7.361 0.765 1.00 0.00 C ATOM 0 H LEU A 39 -4.416 -7.956 2.338 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.300 -9.351 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.899 -9.879 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.104 -8.358 2.861 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.694 -7.488 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.549 -8.466 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.525 -9.595 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.294 -9.782 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.954 -6.831 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.711 -8.049 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.887 -6.642 1.584 1.00 0.00 H new ATOM 644 N GLU A 40 -3.932 -10.186 2.587 1.00 0.00 N ATOM 645 CA GLU A 40 -2.910 -11.178 2.259 1.00 0.00 C ATOM 646 C GLU A 40 -2.657 -12.115 3.444 1.00 0.00 C ATOM 647 O GLU A 40 -3.431 -12.122 4.400 1.00 0.00 O ATOM 648 CB GLU A 40 -1.644 -10.404 1.852 1.00 0.00 C ATOM 649 CG GLU A 40 -1.781 -9.969 0.399 1.00 0.00 C ATOM 650 CD GLU A 40 -1.589 -11.134 -0.594 1.00 0.00 C ATOM 651 OE1 GLU A 40 -1.014 -12.181 -0.213 1.00 0.00 O ATOM 652 OE2 GLU A 40 -1.972 -11.008 -1.778 1.00 0.00 O ATOM 0 H GLU A 40 -3.543 -9.405 3.115 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.233 -11.817 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.510 -9.534 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.762 -11.032 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.766 -9.527 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.047 -9.192 0.186 1.00 0.00 H new ATOM 659 N GLU A 41 -1.602 -12.928 3.398 1.00 0.00 N ATOM 660 CA GLU A 41 -1.265 -13.906 4.429 1.00 0.00 C ATOM 661 C GLU A 41 0.212 -13.871 4.794 1.00 0.00 C ATOM 662 O GLU A 41 0.922 -14.877 4.744 1.00 0.00 O ATOM 663 CB GLU A 41 -1.758 -15.296 4.012 1.00 0.00 C ATOM 664 CG GLU A 41 -1.181 -15.772 2.665 1.00 0.00 C ATOM 665 CD GLU A 41 -1.722 -17.144 2.295 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.814 -17.210 1.683 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.041 -18.154 2.584 1.00 0.00 O ATOM 0 H GLU A 41 -0.941 -12.923 2.621 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.786 -13.639 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.492 -16.015 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.846 -15.283 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.433 -15.055 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.093 -15.810 2.724 1.00 0.00 H new ATOM 674 N LEU A 42 0.697 -12.690 5.149 1.00 0.00 N ATOM 675 CA LEU A 42 2.114 -12.458 5.350 1.00 0.00 C ATOM 676 C LEU A 42 2.297 -11.447 6.471 1.00 0.00 C ATOM 677 O LEU A 42 1.572 -11.481 7.463 1.00 0.00 O ATOM 678 CB LEU A 42 2.722 -12.055 3.996 1.00 0.00 C ATOM 679 CG LEU A 42 3.902 -12.977 3.600 1.00 0.00 C ATOM 680 CD1 LEU A 42 3.618 -13.763 2.315 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.183 -12.154 3.458 1.00 0.00 C ATOM 0 H LEU A 42 0.116 -11.867 5.305 1.00 0.00 H new ATOM 0 HA LEU A 42 2.650 -13.349 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.953 -12.097 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.068 -11.022 4.045 1.00 0.00 H new ATOM 0 HG LEU A 42 4.031 -13.709 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.474 -14.395 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.735 -14.386 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.443 -13.067 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.008 -12.810 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.045 -11.397 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.410 -11.668 4.407 1.00 0.00 H new ATOM 693 N GLU A 43 3.297 -10.581 6.368 1.00 0.00 N ATOM 694 CA GLU A 43 3.683 -9.644 7.391 1.00 0.00 C ATOM 695 C GLU A 43 4.343 -8.451 6.691 1.00 0.00 C ATOM 696 O GLU A 43 4.923 -8.584 5.614 1.00 0.00 O ATOM 697 CB GLU A 43 4.659 -10.364 8.345 1.00 0.00 C ATOM 698 CG GLU A 43 6.016 -10.616 7.664 1.00 0.00 C ATOM 699 CD GLU A 43 6.873 -11.760 8.195 1.00 0.00 C ATOM 700 OE1 GLU A 43 6.660 -12.226 9.334 1.00 0.00 O ATOM 701 OE2 GLU A 43 7.773 -12.168 7.420 1.00 0.00 O ATOM 0 H GLU A 43 3.878 -10.517 5.532 1.00 0.00 H new ATOM 0 HA GLU A 43 2.837 -9.283 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.805 -9.763 9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.227 -11.313 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.831 -10.798 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.601 -9.699 7.732 1.00 0.00 H new ATOM 708 N THR A 44 4.369 -7.324 7.371 1.00 0.00 N ATOM 709 CA THR A 44 5.213 -6.143 7.169 1.00 0.00 C ATOM 710 C THR A 44 5.740 -5.735 8.538 1.00 0.00 C ATOM 711 O THR A 44 5.051 -5.917 9.548 1.00 0.00 O ATOM 712 CB THR A 44 4.403 -4.991 6.562 1.00 0.00 C ATOM 713 OG1 THR A 44 5.213 -3.858 6.359 1.00 0.00 O ATOM 714 CG2 THR A 44 3.183 -4.608 7.417 1.00 0.00 C ATOM 0 H THR A 44 3.739 -7.189 8.162 1.00 0.00 H new ATOM 0 HA THR A 44 6.027 -6.372 6.481 1.00 0.00 H new ATOM 0 HB THR A 44 4.034 -5.351 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.843 -3.098 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.647 -3.788 6.939 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.520 -5.468 7.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.516 -4.296 8.407 1.00 0.00 H new ATOM 722 N PRO A 45 6.920 -5.110 8.567 1.00 0.00 N ATOM 723 CA PRO A 45 7.319 -4.256 9.655 1.00 0.00 C ATOM 724 C PRO A 45 7.241 -2.753 9.288 1.00 0.00 C ATOM 725 O PRO A 45 7.430 -1.896 10.148 1.00 0.00 O ATOM 726 CB PRO A 45 8.736 -4.749 9.905 1.00 0.00 C ATOM 727 CG PRO A 45 9.293 -5.104 8.524 1.00 0.00 C ATOM 728 CD PRO A 45 8.051 -5.359 7.683 1.00 0.00 C ATOM 0 HA PRO A 45 6.678 -4.312 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.340 -3.980 10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.739 -5.617 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.893 -4.291 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.935 -5.984 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.023 -4.699 6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.036 -6.382 7.306 1.00 0.00 H new ATOM 736 N ALA A 46 7.004 -2.413 8.020 1.00 0.00 N ATOM 737 CA ALA A 46 6.948 -1.063 7.464 1.00 0.00 C ATOM 738 C ALA A 46 5.534 -0.467 7.543 1.00 0.00 C ATOM 739 O ALA A 46 4.575 -1.160 7.897 1.00 0.00 O ATOM 740 CB ALA A 46 7.376 -1.157 5.994 1.00 0.00 C ATOM 0 H ALA A 46 6.835 -3.123 7.307 1.00 0.00 H new ATOM 0 HA ALA A 46 7.606 -0.411 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.347 -0.165 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.390 -1.553 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.696 -1.819 5.459 1.00 0.00 H new ATOM 746 N LYS A 47 5.372 0.784 7.096 1.00 0.00 N ATOM 747 CA LYS A 47 4.082 1.452 6.947 1.00 0.00 C ATOM 748 C LYS A 47 3.426 0.936 5.673 1.00 0.00 C ATOM 749 O LYS A 47 4.120 0.731 4.679 1.00 0.00 O ATOM 750 CB LYS A 47 4.342 2.955 6.760 1.00 0.00 C ATOM 751 CG LYS A 47 4.651 3.673 8.076 1.00 0.00 C ATOM 752 CD LYS A 47 5.081 5.149 7.911 1.00 0.00 C ATOM 753 CE LYS A 47 4.301 6.098 8.838 1.00 0.00 C ATOM 754 NZ LYS A 47 5.099 7.248 9.322 1.00 0.00 N ATOM 0 H LYS A 47 6.159 1.372 6.822 1.00 0.00 H new ATOM 0 HA LYS A 47 3.451 1.267 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.177 3.092 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.469 3.415 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.768 3.633 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.443 3.132 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.147 5.239 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.931 5.454 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.426 6.472 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.936 5.534 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.511 7.843 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.921 6.900 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.427 7.809 8.510 1.00 0.00 H new ATOM 768 N VAL A 48 2.111 0.726 5.694 1.00 0.00 N ATOM 769 CA VAL A 48 1.382 -0.079 4.734 1.00 0.00 C ATOM 770 C VAL A 48 -0.057 0.415 4.621 1.00 0.00 C ATOM 771 O VAL A 48 -1.028 -0.332 4.721 1.00 0.00 O ATOM 772 CB VAL A 48 1.418 -1.518 5.255 1.00 0.00 C ATOM 773 CG1 VAL A 48 2.779 -2.146 4.927 1.00 0.00 C ATOM 774 CG2 VAL A 48 1.053 -1.595 6.748 1.00 0.00 C ATOM 0 H VAL A 48 1.507 1.130 6.410 1.00 0.00 H new ATOM 0 HA VAL A 48 1.828 -0.014 3.741 1.00 0.00 H new ATOM 0 HB VAL A 48 0.653 -2.105 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.806 -3.171 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.929 -2.147 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.571 -1.567 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.090 -2.633 7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.763 -1.004 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.047 -1.203 6.897 1.00 0.00 H new ATOM 784 N TYR A 49 -0.196 1.720 4.487 1.00 0.00 N ATOM 785 CA TYR A 49 -1.515 2.330 4.551 1.00 0.00 C ATOM 786 C TYR A 49 -2.208 2.108 3.204 1.00 0.00 C ATOM 787 O TYR A 49 -1.572 1.724 2.233 1.00 0.00 O ATOM 788 CB TYR A 49 -1.366 3.819 4.811 1.00 0.00 C ATOM 789 CG TYR A 49 -0.668 4.228 6.098 1.00 0.00 C ATOM 790 CD1 TYR A 49 0.737 4.293 6.167 1.00 0.00 C ATOM 791 CD2 TYR A 49 -1.430 4.612 7.219 1.00 0.00 C ATOM 792 CE1 TYR A 49 1.347 4.798 7.323 1.00 0.00 C ATOM 793 CE2 TYR A 49 -0.820 5.043 8.408 1.00 0.00 C ATOM 794 CZ TYR A 49 0.585 5.150 8.455 1.00 0.00 C ATOM 795 OH TYR A 49 1.216 5.563 9.587 1.00 0.00 O ATOM 0 H TYR A 49 0.574 2.372 4.335 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.104 1.886 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.819 4.256 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.361 4.265 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.339 3.957 5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.508 4.574 7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.420 4.920 7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.418 5.289 9.273 1.00 0.00 H new ATOM 0 HH TYR A 49 0.550 5.770 10.276 1.00 0.00 H new ATOM 805 N ALA A 50 -3.515 2.296 3.086 1.00 0.00 N ATOM 806 CA ALA A 50 -4.213 2.037 1.835 1.00 0.00 C ATOM 807 C ALA A 50 -5.263 3.124 1.579 1.00 0.00 C ATOM 808 O ALA A 50 -5.756 3.752 2.518 1.00 0.00 O ATOM 809 CB ALA A 50 -4.763 0.623 1.928 1.00 0.00 C ATOM 0 H ALA A 50 -4.114 2.627 3.842 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.558 2.087 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.298 0.379 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.941 -0.079 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.446 0.553 2.775 1.00 0.00 H new ATOM 815 N ILE A 51 -5.553 3.423 0.314 1.00 0.00 N ATOM 816 CA ILE A 51 -6.441 4.511 -0.066 1.00 0.00 C ATOM 817 C ILE A 51 -7.884 4.078 0.083 1.00 0.00 C ATOM 818 O ILE A 51 -8.437 3.334 -0.736 1.00 0.00 O ATOM 819 CB ILE A 51 -6.118 5.041 -1.478 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.709 5.638 -1.595 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.128 6.107 -1.939 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.335 6.752 -0.613 1.00 0.00 C ATOM 0 H ILE A 51 -5.172 2.909 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.279 5.350 0.610 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.180 4.163 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.989 4.828 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.590 6.026 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.862 6.452 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.129 5.676 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.109 6.949 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.314 7.081 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.017 7.593 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.407 6.376 0.408 1.00 0.00 H new ATOM 834 N LYS A 52 -8.512 4.663 1.101 1.00 0.00 N ATOM 835 CA LYS A 52 -9.914 4.504 1.394 1.00 0.00 C ATOM 836 C LYS A 52 -10.763 4.721 0.156 1.00 0.00 C ATOM 837 O LYS A 52 -11.547 3.850 -0.186 1.00 0.00 O ATOM 838 CB LYS A 52 -10.310 5.415 2.568 1.00 0.00 C ATOM 839 CG LYS A 52 -11.625 4.872 3.134 1.00 0.00 C ATOM 840 CD LYS A 52 -12.132 5.558 4.399 1.00 0.00 C ATOM 841 CE LYS A 52 -12.852 6.873 4.093 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.832 7.205 5.145 1.00 0.00 N ATOM 0 H LYS A 52 -8.034 5.278 1.759 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.103 3.477 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.533 5.418 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.431 6.445 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.393 4.955 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.498 3.810 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.811 4.888 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.293 5.752 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.122 7.678 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.359 6.797 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.774 7.315 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.858 6.440 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.556 8.094 5.609 1.00 0.00 H new ATOM 856 N ASP A 53 -10.612 5.852 -0.530 1.00 0.00 N ATOM 857 CA ASP A 53 -11.483 6.184 -1.659 1.00 0.00 C ATOM 858 C ASP A 53 -11.458 5.112 -2.735 1.00 0.00 C ATOM 859 O ASP A 53 -12.510 4.726 -3.240 1.00 0.00 O ATOM 860 CB ASP A 53 -11.107 7.528 -2.285 1.00 0.00 C ATOM 861 CG ASP A 53 -12.337 8.423 -2.333 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.775 8.839 -1.234 1.00 0.00 O ATOM 863 OD2 ASP A 53 -12.879 8.679 -3.429 1.00 0.00 O ATOM 0 H ASP A 53 -9.899 6.552 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.492 6.247 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.319 8.005 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.714 7.377 -3.290 1.00 0.00 H new ATOM 868 N ASP A 54 -10.270 4.603 -3.059 1.00 0.00 N ATOM 869 CA ASP A 54 -10.112 3.576 -4.069 1.00 0.00 C ATOM 870 C ASP A 54 -10.707 2.254 -3.595 1.00 0.00 C ATOM 871 O ASP A 54 -11.327 1.570 -4.404 1.00 0.00 O ATOM 872 CB ASP A 54 -8.634 3.387 -4.409 1.00 0.00 C ATOM 873 CG ASP A 54 -8.091 4.388 -5.433 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.826 4.883 -6.321 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.872 4.636 -5.394 1.00 0.00 O ATOM 0 H ASP A 54 -9.395 4.896 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.645 3.897 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.049 3.468 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.487 2.377 -4.792 1.00 0.00 H new ATOM 880 N PHE A 55 -10.558 1.907 -2.310 1.00 0.00 N ATOM 881 CA PHE A 55 -11.104 0.699 -1.681 1.00 0.00 C ATOM 882 C PHE A 55 -12.632 0.715 -1.685 1.00 0.00 C ATOM 883 O PHE A 55 -13.283 -0.277 -2.011 1.00 0.00 O ATOM 884 CB PHE A 55 -10.589 0.628 -0.237 1.00 0.00 C ATOM 885 CG PHE A 55 -10.631 -0.721 0.466 1.00 0.00 C ATOM 886 CD1 PHE A 55 -10.172 -1.889 -0.165 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.087 -0.808 1.792 1.00 0.00 C ATOM 888 CE1 PHE A 55 -10.171 -3.121 0.510 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.176 -2.051 2.439 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.720 -3.215 1.797 1.00 0.00 C ATOM 0 H PHE A 55 -10.032 2.484 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.780 -0.175 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.556 0.976 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.166 1.335 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.815 -1.839 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.372 0.090 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.748 -3.995 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.596 -2.113 3.432 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.792 -4.173 2.290 1.00 0.00 H new ATOM 900 N LEU A 56 -13.204 1.873 -1.375 1.00 0.00 N ATOM 901 CA LEU A 56 -14.628 2.140 -1.431 1.00 0.00 C ATOM 902 C LEU A 56 -15.096 2.043 -2.873 1.00 0.00 C ATOM 903 O LEU A 56 -16.122 1.424 -3.148 1.00 0.00 O ATOM 904 CB LEU A 56 -14.899 3.543 -0.879 1.00 0.00 C ATOM 905 CG LEU A 56 -14.609 3.704 0.623 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.612 5.207 0.935 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.695 3.069 1.496 1.00 0.00 C ATOM 0 H LEU A 56 -12.663 2.681 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.171 1.411 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.293 4.261 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.943 3.797 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.657 3.218 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.409 5.359 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.842 5.703 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.587 5.628 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.445 3.209 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.654 3.542 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.760 2.003 1.278 1.00 0.00 H new ATOM 919 N ALA A 57 -14.306 2.568 -3.816 1.00 0.00 N ATOM 920 CA ALA A 57 -14.588 2.458 -5.238 1.00 0.00 C ATOM 921 C ALA A 57 -14.370 1.026 -5.731 1.00 0.00 C ATOM 922 O ALA A 57 -14.778 0.678 -6.843 1.00 0.00 O ATOM 923 CB ALA A 57 -13.735 3.446 -6.040 1.00 0.00 C ATOM 0 H ALA A 57 -13.451 3.082 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.637 2.711 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.963 3.346 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.955 4.463 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.679 3.233 -5.874 1.00 0.00 H new ATOM 929 N ARG A 58 -13.765 0.176 -4.900 1.00 0.00 N ATOM 930 CA ARG A 58 -13.597 -1.244 -5.141 1.00 0.00 C ATOM 931 C ARG A 58 -14.569 -2.016 -4.238 1.00 0.00 C ATOM 932 O ARG A 58 -14.339 -3.198 -3.989 1.00 0.00 O ATOM 933 CB ARG A 58 -12.127 -1.535 -4.739 1.00 0.00 C ATOM 934 CG ARG A 58 -11.073 -1.595 -5.850 1.00 0.00 C ATOM 935 CD ARG A 58 -10.789 -3.044 -6.250 1.00 0.00 C ATOM 936 NE ARG A 58 -12.005 -3.686 -6.780 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.455 -3.546 -8.032 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.659 -3.099 -8.998 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.720 -3.848 -8.304 1.00 0.00 N ATOM 0 H ARG A 58 -13.367 0.476 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.799 -1.538 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.818 -0.769 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.108 -2.488 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.420 -1.035 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.153 -1.119 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.000 -3.071 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.425 -3.600 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.542 -4.279 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.690 -2.857 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.017 -2.998 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.335 -4.182 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.076 -3.746 -9.254 1.00 0.00 H new ATOM 953 N GLY A 59 -15.767 -1.486 -3.986 1.00 0.00 N ATOM 954 CA GLY A 59 -16.867 -2.175 -3.324 1.00 0.00 C ATOM 955 C GLY A 59 -16.610 -2.700 -1.906 1.00 0.00 C ATOM 956 O GLY A 59 -17.487 -3.407 -1.402 1.00 0.00 O ATOM 0 H GLY A 59 -16.003 -0.529 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.717 -1.494 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.163 -3.018 -3.948 1.00 0.00 H new ATOM 960 N TYR A 60 -15.474 -2.415 -1.259 1.00 0.00 N ATOM 961 CA TYR A 60 -15.193 -2.844 0.103 1.00 0.00 C ATOM 962 C TYR A 60 -15.770 -1.787 1.042 1.00 0.00 C ATOM 963 O TYR A 60 -15.936 -0.626 0.659 1.00 0.00 O ATOM 964 CB TYR A 60 -13.685 -2.938 0.339 1.00 0.00 C ATOM 965 CG TYR A 60 -12.949 -4.018 -0.435 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.462 -3.719 -1.713 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.622 -5.252 0.159 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.676 -4.641 -2.421 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.841 -6.193 -0.546 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.367 -5.887 -1.844 1.00 0.00 C ATOM 971 OH TYR A 60 -10.576 -6.745 -2.545 1.00 0.00 O ATOM 0 H TYR A 60 -14.719 -1.873 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.633 -3.825 0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.239 -1.975 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.515 -3.103 1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.695 -2.764 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.969 -5.479 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.309 -4.395 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.605 -7.146 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.444 -7.566 -2.026 1.00 0.00 H new ATOM 981 N SER A 61 -15.964 -2.149 2.302 1.00 0.00 N ATOM 982 CA SER A 61 -16.294 -1.249 3.388 1.00 0.00 C ATOM 983 C SER A 61 -15.017 -0.970 4.192 1.00 0.00 C ATOM 984 O SER A 61 -13.972 -1.569 3.930 1.00 0.00 O ATOM 985 CB SER A 61 -17.411 -1.936 4.167 1.00 0.00 C ATOM 986 OG SER A 61 -17.900 -1.144 5.229 1.00 0.00 O ATOM 0 H SER A 61 -15.892 -3.121 2.604 1.00 0.00 H new ATOM 0 HA SER A 61 -16.655 -0.269 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.230 -2.172 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.043 -2.882 4.564 1.00 0.00 H new ATOM 0 HG SER A 61 -18.614 -1.627 5.695 1.00 0.00 H new ATOM 992 N GLU A 62 -15.051 -0.022 5.129 1.00 0.00 N ATOM 993 CA GLU A 62 -13.847 0.486 5.772 1.00 0.00 C ATOM 994 C GLU A 62 -13.193 -0.624 6.600 1.00 0.00 C ATOM 995 O GLU A 62 -11.972 -0.795 6.622 1.00 0.00 O ATOM 996 CB GLU A 62 -14.174 1.715 6.644 1.00 0.00 C ATOM 997 CG GLU A 62 -14.839 2.843 5.837 1.00 0.00 C ATOM 998 CD GLU A 62 -15.039 4.138 6.632 1.00 0.00 C ATOM 999 OE1 GLU A 62 -14.046 4.774 7.048 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -16.193 4.625 6.715 1.00 0.00 O ATOM 0 H GLU A 62 -15.913 0.412 5.460 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.141 0.805 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.835 1.415 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.257 2.089 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.229 3.057 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.807 2.496 5.476 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.002 -1.445 7.261 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.472 -2.436 8.180 1.00 0.00 C ATOM 1009 C GLU A 63 -12.903 -3.672 7.466 1.00 0.00 C ATOM 1010 O GLU A 63 -12.378 -4.567 8.130 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.548 -2.826 9.198 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.001 -2.694 10.622 1.00 0.00 C ATOM 1013 CD GLU A 63 -14.831 -3.514 11.596 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -15.908 -3.039 12.030 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -14.375 -4.631 11.918 1.00 0.00 O ATOM 0 H GLU A 63 -15.018 -1.442 7.176 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.630 -1.982 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.423 -2.187 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.874 -3.851 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.964 -3.027 10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.008 -1.647 10.923 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.023 -3.743 6.137 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.725 -4.938 5.346 1.00 0.00 C ATOM 1024 C ASP A 64 -11.234 -5.038 5.015 1.00 0.00 C ATOM 1025 O ASP A 64 -10.752 -6.097 4.598 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.526 -4.914 4.034 1.00 0.00 C ATOM 1027 CG ASP A 64 -15.024 -5.178 4.189 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.438 -5.895 5.138 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.796 -4.732 3.322 1.00 0.00 O ATOM 0 H ASP A 64 -13.336 -2.955 5.571 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.007 -5.804 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.390 -3.942 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.109 -5.659 3.357 1.00 0.00 H new ATOM 1034 N SER A 65 -10.505 -3.929 5.167 1.00 0.00 N ATOM 1035 CA SER A 65 -9.074 -3.861 4.944 1.00 0.00 C ATOM 1036 C SER A 65 -8.369 -4.147 6.265 1.00 0.00 C ATOM 1037 O SER A 65 -8.663 -3.467 7.256 1.00 0.00 O ATOM 1038 CB SER A 65 -8.684 -2.442 4.515 1.00 0.00 C ATOM 1039 OG SER A 65 -8.355 -2.412 3.146 1.00 0.00 O ATOM 0 H SER A 65 -10.910 -3.038 5.455 1.00 0.00 H new ATOM 0 HA SER A 65 -8.793 -4.580 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.509 -1.757 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.836 -2.098 5.106 1.00 0.00 H new ATOM 0 HG SER A 65 -9.161 -2.230 2.620 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.383 -5.046 6.276 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.561 -5.287 7.463 1.00 0.00 C ATOM 1047 C LYS A 66 -5.385 -4.308 7.575 1.00 0.00 C ATOM 1048 O LYS A 66 -4.331 -4.688 8.091 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.118 -6.768 7.444 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.191 -7.182 6.281 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.822 -7.779 6.652 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.453 -8.958 5.732 1.00 0.00 C ATOM 1053 NZ LYS A 66 -4.018 -10.226 6.241 1.00 0.00 N ATOM 0 H LYS A 66 -7.134 -5.622 5.472 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.150 -5.101 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.610 -6.987 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.010 -7.393 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.722 -7.910 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.019 -6.305 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.056 -7.007 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.840 -8.116 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.825 -8.768 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.369 -9.042 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.813 -10.992 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.592 -10.451 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.048 -10.128 6.350 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.556 -3.036 7.202 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.525 -1.989 7.215 1.00 0.00 C ATOM 1069 C VAL A 67 -5.225 -0.634 7.381 1.00 0.00 C ATOM 1070 O VAL A 67 -6.429 -0.540 7.125 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.670 -2.020 5.927 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.067 -3.395 5.647 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.378 -1.466 4.690 1.00 0.00 C ATOM 0 H VAL A 67 -6.456 -2.691 6.868 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.840 -2.160 8.046 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.849 -1.335 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.478 -3.354 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.425 -3.687 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.867 -4.126 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.709 -1.524 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.275 -2.052 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.655 -0.426 4.864 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.502 0.428 7.769 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.070 1.754 7.944 1.00 0.00 C ATOM 1085 C PRO A 68 -5.465 2.370 6.614 1.00 0.00 C ATOM 1086 O PRO A 68 -4.621 2.643 5.754 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.036 2.553 8.737 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.717 1.848 8.434 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.127 0.406 8.233 1.00 0.00 C ATOM 0 HA PRO A 68 -6.008 1.735 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.012 3.597 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.257 2.545 9.804 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.238 2.257 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.008 1.953 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.480 -0.083 7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.041 -0.155 9.164 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.772 2.576 6.477 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.400 3.266 5.374 1.00 0.00 C ATOM 1099 C LEU A 69 -7.271 4.758 5.583 1.00 0.00 C ATOM 1100 O LEU A 69 -7.809 5.302 6.547 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.880 2.890 5.289 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.128 1.419 4.948 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.632 1.210 4.883 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.494 1.034 3.615 1.00 0.00 C ATOM 0 H LEU A 69 -7.446 2.248 7.169 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.908 2.977 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.358 3.117 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.360 3.513 4.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.674 0.789 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.845 0.169 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.076 1.456 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.056 1.855 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.692 -0.018 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.919 1.646 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.417 1.198 3.663 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.569 5.404 4.667 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.263 6.824 4.696 1.00 0.00 C ATOM 1118 C ILE A 70 -6.808 7.501 3.430 1.00 0.00 C ATOM 1119 O ILE A 70 -7.274 6.827 2.506 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.751 7.019 4.935 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.889 6.778 3.673 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.290 6.170 6.138 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.402 7.090 3.874 1.00 0.00 C ATOM 0 H ILE A 70 -6.181 4.934 3.849 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.763 7.319 5.528 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.595 8.070 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.995 5.738 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.273 7.392 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.222 6.315 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.835 6.477 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.487 5.117 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.861 6.897 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.284 8.137 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.001 6.457 4.666 1.00 0.00 H new ATOM 1135 N THR A 71 -6.776 8.830 3.379 1.00 0.00 N ATOM 1136 CA THR A 71 -7.194 9.590 2.209 1.00 0.00 C ATOM 1137 C THR A 71 -6.050 9.707 1.197 1.00 0.00 C ATOM 1138 O THR A 71 -4.888 9.438 1.514 1.00 0.00 O ATOM 1139 CB THR A 71 -7.645 10.984 2.668 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.687 11.566 3.528 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.998 10.899 3.368 1.00 0.00 C ATOM 0 H THR A 71 -6.457 9.411 4.154 1.00 0.00 H new ATOM 0 HA THR A 71 -8.019 9.075 1.717 1.00 0.00 H new ATOM 0 HB THR A 71 -7.743 11.617 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.414 12.437 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.305 11.895 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.739 10.494 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.917 10.247 4.238 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.358 10.218 -0.001 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.339 10.564 -0.988 1.00 0.00 C ATOM 1151 C TYR A 72 -4.328 11.555 -0.405 1.00 0.00 C ATOM 1152 O TYR A 72 -3.157 11.468 -0.748 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.992 11.137 -2.266 1.00 0.00 C ATOM 1154 CG TYR A 72 -5.788 10.302 -3.519 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -6.511 9.107 -3.694 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -4.906 10.731 -4.532 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.341 8.331 -4.857 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -4.733 9.963 -5.699 1.00 0.00 C ATOM 1159 CZ TYR A 72 -5.447 8.754 -5.866 1.00 0.00 C ATOM 1160 OH TYR A 72 -5.271 7.984 -6.976 1.00 0.00 O ATOM 0 H TYR A 72 -7.313 10.401 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.803 9.654 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.062 11.248 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.593 12.136 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.202 8.782 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.360 11.655 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.895 7.412 -4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.053 10.298 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.625 8.415 -7.574 1.00 0.00 H new ATOM 1170 N SER A 73 -4.740 12.477 0.469 1.00 0.00 N ATOM 1171 CA SER A 73 -3.855 13.523 0.957 1.00 0.00 C ATOM 1172 C SER A 73 -3.003 13.077 2.146 1.00 0.00 C ATOM 1173 O SER A 73 -1.870 13.543 2.285 1.00 0.00 O ATOM 1174 CB SER A 73 -4.697 14.744 1.298 1.00 0.00 C ATOM 1175 OG SER A 73 -5.678 14.470 2.285 1.00 0.00 O ATOM 0 H SER A 73 -5.685 12.515 0.851 1.00 0.00 H new ATOM 0 HA SER A 73 -3.141 13.769 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.045 15.544 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.187 15.107 0.395 1.00 0.00 H new ATOM 0 HG SER A 73 -6.191 15.284 2.471 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.533 12.187 2.987 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.795 11.542 4.065 1.00 0.00 C ATOM 1183 C GLU A 74 -1.673 10.678 3.503 1.00 0.00 C ATOM 1184 O GLU A 74 -0.647 10.535 4.163 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.708 10.662 4.925 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.463 11.424 6.019 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.447 10.619 7.316 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -5.212 9.642 7.472 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -3.627 10.931 8.210 1.00 0.00 O ATOM 0 H GLU A 74 -4.508 11.891 2.933 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.380 12.335 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.431 10.166 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.108 9.880 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.003 12.399 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.491 11.605 5.705 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.847 10.111 2.304 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.759 9.431 1.622 1.00 0.00 C ATOM 1198 C PHE A 75 0.356 10.422 1.346 1.00 0.00 C ATOM 1199 O PHE A 75 1.474 10.142 1.748 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.260 8.768 0.339 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.204 8.216 -0.612 1.00 0.00 C ATOM 1202 CD1 PHE A 75 1.001 7.653 -0.149 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.469 8.212 -1.991 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.890 7.029 -1.043 1.00 0.00 C ATOM 1205 CE2 PHE A 75 0.399 7.555 -2.882 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.577 6.958 -2.408 1.00 0.00 C ATOM 0 H PHE A 75 -2.730 10.113 1.794 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.365 8.638 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.926 7.951 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.860 9.496 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.245 7.701 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.345 8.717 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.814 6.605 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.158 7.510 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.239 6.446 -3.091 1.00 0.00 H new ATOM 1216 N ILE A 76 0.076 11.562 0.708 1.00 0.00 N ATOM 1217 CA ILE A 76 1.098 12.532 0.312 1.00 0.00 C ATOM 1218 C ILE A 76 1.994 12.918 1.500 1.00 0.00 C ATOM 1219 O ILE A 76 3.207 12.984 1.319 1.00 0.00 O ATOM 1220 CB ILE A 76 0.457 13.731 -0.402 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.392 13.300 -1.622 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.503 14.781 -0.822 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.290 12.383 -2.648 1.00 0.00 C ATOM 0 H ILE A 76 -0.872 11.838 0.451 1.00 0.00 H new ATOM 0 HA ILE A 76 1.767 12.069 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.211 14.192 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.284 12.794 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.726 14.200 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.005 15.611 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.023 15.150 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.223 14.326 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.409 12.154 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.165 12.885 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.598 11.458 -2.161 1.00 0.00 H new ATOM 1235 N ASP A 77 1.435 13.063 2.707 1.00 0.00 N ATOM 1236 CA ASP A 77 2.159 13.358 3.955 1.00 0.00 C ATOM 1237 C ASP A 77 3.272 12.354 4.259 1.00 0.00 C ATOM 1238 O ASP A 77 4.280 12.685 4.898 1.00 0.00 O ATOM 1239 CB ASP A 77 1.155 13.353 5.110 1.00 0.00 C ATOM 1240 CG ASP A 77 1.781 13.578 6.490 1.00 0.00 C ATOM 1241 OD1 ASP A 77 1.998 14.759 6.847 1.00 0.00 O ATOM 1242 OD2 ASP A 77 1.951 12.609 7.275 1.00 0.00 O ATOM 0 H ASP A 77 0.429 12.975 2.850 1.00 0.00 H new ATOM 0 HA ASP A 77 2.634 14.332 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.410 14.128 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.628 12.399 5.114 1.00 0.00 H new ATOM 1247 N LEU A 78 3.085 11.117 3.799 1.00 0.00 N ATOM 1248 CA LEU A 78 4.013 10.024 3.999 1.00 0.00 C ATOM 1249 C LEU A 78 5.211 10.118 3.039 1.00 0.00 C ATOM 1250 O LEU A 78 6.265 9.556 3.349 1.00 0.00 O ATOM 1251 CB LEU A 78 3.304 8.661 3.849 1.00 0.00 C ATOM 1252 CG LEU A 78 2.125 8.426 4.815 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.389 7.144 4.427 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.569 8.315 6.276 1.00 0.00 C ATOM 0 H LEU A 78 2.259 10.849 3.264 1.00 0.00 H new ATOM 0 HA LEU A 78 4.394 10.103 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.939 8.570 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.038 7.869 3.997 1.00 0.00 H new ATOM 0 HG LEU A 78 1.470 9.293 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.557 6.981 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.009 7.236 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.076 6.299 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.698 8.150 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.260 7.479 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.067 9.237 6.576 1.00 0.00 H new ATOM 1266 N LEU A 79 5.066 10.792 1.886 1.00 0.00 N ATOM 1267 CA LEU A 79 6.113 11.027 0.909 1.00 0.00 C ATOM 1268 C LEU A 79 6.998 12.178 1.341 1.00 0.00 C ATOM 1269 O LEU A 79 8.143 11.930 1.700 1.00 0.00 O ATOM 1270 CB LEU A 79 5.531 11.310 -0.483 1.00 0.00 C ATOM 1271 CG LEU A 79 4.762 10.143 -1.104 1.00 0.00 C ATOM 1272 CD1 LEU A 79 5.551 8.846 -1.038 1.00 0.00 C ATOM 1273 CD2 LEU A 79 3.402 9.875 -0.490 1.00 0.00 C ATOM 0 H LEU A 79 4.174 11.201 1.609 1.00 0.00 H new ATOM 0 HA LEU A 79 6.713 10.119 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.866 12.171 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.345 11.588 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 79 4.611 10.465 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.969 8.043 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.490 8.963 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.761 8.601 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.934 9.031 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.520 9.644 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.773 10.758 -0.600 1.00 0.00 H new ATOM 1285 N GLU A 80 6.482 13.407 1.244 1.00 0.00 N ATOM 1286 CA GLU A 80 7.093 14.693 1.595 1.00 0.00 C ATOM 1287 C GLU A 80 8.624 14.629 1.565 1.00 0.00 C ATOM 1288 O GLU A 80 9.280 14.576 2.610 1.00 0.00 O ATOM 1289 CB GLU A 80 6.537 15.222 2.928 1.00 0.00 C ATOM 1290 CG GLU A 80 5.013 15.429 2.886 1.00 0.00 C ATOM 1291 CD GLU A 80 4.521 16.541 1.944 1.00 0.00 C ATOM 1292 OE1 GLU A 80 5.335 17.342 1.422 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.287 16.643 1.747 1.00 0.00 O ATOM 0 H GLU A 80 5.537 13.539 0.884 1.00 0.00 H new ATOM 0 HA GLU A 80 6.815 15.417 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.784 14.521 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.023 16.167 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.545 14.491 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.666 15.652 3.895 1.00 0.00 H new ATOM 1300 N GLY A 81 9.184 14.593 0.355 1.00 0.00 N ATOM 1301 CA GLY A 81 10.619 14.552 0.127 1.00 0.00 C ATOM 1302 C GLY A 81 11.141 13.159 -0.213 1.00 0.00 C ATOM 1303 O GLY A 81 12.360 12.974 -0.210 1.00 0.00 O ATOM 0 H GLY A 81 8.638 14.592 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.870 15.234 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.131 14.916 1.018 1.00 0.00 H new ATOM 1307 N GLU A 82 10.284 12.179 -0.517 1.00 0.00 N ATOM 1308 CA GLU A 82 10.689 10.825 -0.848 1.00 0.00 C ATOM 1309 C GLU A 82 9.933 10.329 -2.066 1.00 0.00 C ATOM 1310 O GLU A 82 8.725 10.534 -2.191 1.00 0.00 O ATOM 1311 CB GLU A 82 10.477 9.854 0.318 1.00 0.00 C ATOM 1312 CG GLU A 82 11.432 10.096 1.490 1.00 0.00 C ATOM 1313 CD GLU A 82 11.569 8.819 2.319 1.00 0.00 C ATOM 1314 OE1 GLU A 82 10.736 8.592 3.220 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.487 8.021 2.019 1.00 0.00 O ATOM 0 H GLU A 82 9.273 12.315 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 82 11.757 10.858 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.450 9.941 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.605 8.833 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.409 10.405 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.058 10.907 2.114 1.00 0.00 H new ATOM 1322 N GLU A 83 10.666 9.624 -2.928 1.00 0.00 N ATOM 1323 CA GLU A 83 10.155 9.010 -4.134 1.00 0.00 C ATOM 1324 C GLU A 83 10.891 7.696 -4.381 1.00 0.00 C ATOM 1325 O GLU A 83 11.871 7.630 -5.127 1.00 0.00 O ATOM 1326 CB GLU A 83 10.271 9.998 -5.302 1.00 0.00 C ATOM 1327 CG GLU A 83 8.957 10.743 -5.511 1.00 0.00 C ATOM 1328 CD GLU A 83 9.026 11.597 -6.774 1.00 0.00 C ATOM 1329 OE1 GLU A 83 8.749 11.079 -7.888 1.00 0.00 O ATOM 1330 OE2 GLU A 83 9.326 12.805 -6.643 1.00 0.00 O ATOM 0 H GLU A 83 11.664 9.465 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 83 9.097 8.769 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.071 10.711 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.540 9.462 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.136 10.030 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.748 11.375 -4.648 1.00 0.00 H new ATOM 1337 N LYS A 84 10.448 6.627 -3.717 1.00 0.00 N ATOM 1338 CA LYS A 84 10.978 5.282 -3.927 1.00 0.00 C ATOM 1339 C LYS A 84 10.018 4.190 -3.437 1.00 0.00 C ATOM 1340 O LYS A 84 10.494 3.119 -3.064 1.00 0.00 O ATOM 1341 CB LYS A 84 12.325 5.236 -3.146 1.00 0.00 C ATOM 1342 CG LYS A 84 12.179 5.523 -1.635 1.00 0.00 C ATOM 1343 CD LYS A 84 13.380 6.198 -0.963 1.00 0.00 C ATOM 1344 CE LYS A 84 13.328 7.708 -1.237 1.00 0.00 C ATOM 1345 NZ LYS A 84 14.016 8.486 -0.186 1.00 0.00 N ATOM 0 H LYS A 84 9.708 6.672 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 84 11.114 5.084 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.777 4.253 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.011 5.963 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.303 6.154 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.983 4.581 -1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.364 6.010 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.310 5.778 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.788 7.917 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.288 8.029 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.899 9.502 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.605 8.256 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.029 8.248 -0.185 1.00 0.00 H new ATOM 1359 N PHE A 85 8.696 4.371 -3.574 1.00 0.00 N ATOM 1360 CA PHE A 85 7.693 3.384 -3.140 1.00 0.00 C ATOM 1361 C PHE A 85 6.257 3.804 -3.441 1.00 0.00 C ATOM 1362 O PHE A 85 5.325 3.562 -2.674 1.00 0.00 O ATOM 1363 CB PHE A 85 7.803 3.162 -1.620 1.00 0.00 C ATOM 1364 CG PHE A 85 7.687 4.439 -0.781 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.833 5.204 -0.509 1.00 0.00 C ATOM 1366 CD2 PHE A 85 6.450 4.885 -0.275 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.760 6.396 0.229 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.364 6.083 0.451 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.518 6.851 0.694 1.00 0.00 C ATOM 0 H PHE A 85 8.290 5.209 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 85 7.907 2.475 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.023 2.467 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.759 2.686 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.792 4.868 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.559 4.299 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.657 6.960 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.408 6.417 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.447 7.783 1.234 1.00 0.00 H new ATOM 1379 N ILE A 86 6.058 4.434 -4.579 1.00 0.00 N ATOM 1380 CA ILE A 86 4.888 5.273 -4.741 1.00 0.00 C ATOM 1381 C ILE A 86 3.862 4.487 -5.545 1.00 0.00 C ATOM 1382 O ILE A 86 4.074 3.319 -5.885 1.00 0.00 O ATOM 1383 CB ILE A 86 5.290 6.630 -5.358 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.748 7.073 -5.048 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.361 7.733 -4.839 1.00 0.00 C ATOM 1386 CD1 ILE A 86 7.005 7.346 -3.554 1.00 0.00 C ATOM 0 H ILE A 86 6.675 4.385 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 86 4.427 5.526 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 86 5.208 6.486 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.435 6.299 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.974 7.974 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.650 8.688 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.332 7.502 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.440 7.794 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.042 7.650 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.343 8.141 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.812 6.440 -2.980 1.00 0.00 H new ATOM 1398 N GLY A 87 2.775 5.145 -5.923 1.00 0.00 N ATOM 1399 CA GLY A 87 1.978 4.679 -7.020 1.00 0.00 C ATOM 1400 C GLY A 87 0.527 4.820 -6.729 1.00 0.00 C ATOM 1401 O GLY A 87 0.142 5.843 -6.126 1.00 0.00 O ATOM 0 H GLY A 87 2.436 5.999 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.228 5.242 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.211 3.634 -7.224 1.00 0.00 H new