USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 840 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 Single : A 8 ASN : amide:sc= -0.232 K(o=-0.23,f=1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 16 ASN : amide:sc= -0.0945 K(o=-0.095,f=-0.93) USER MOD Single : A 26 MET CE :methyl 169:sc= -0.0416 (180deg=-0.118) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 54:sc= 0.88 USER MOD Single : A 37 CYS SG : rot -155:sc= -0.741 USER MOD Single : A 38 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.99) USER MOD Single : A 39 ASN : amide:sc= -0.0025 K(o=-0.0025,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.93) USER MOD Single : A 46 SER OG : rot -64:sc= -0.345 USER MOD Single : A 57 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.18) USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.105 (180deg=-1.32) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 66 GLN : amide:sc= -0.0195 K(o=-0.02,f=-0.84) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.16! K(o=-1.2!,f=-0.28) USER MOD Single : A 80 THR OG1 : rot 141:sc= 0.903 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.987 K(o=-0.99,f=-0.29) USER MOD Single : A 84 CYS SG : rot 98:sc= 0.62 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0919) USER MOD Single : A 92 TYR OH : rot -120:sc= 0.168 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 97 THR OG1 : rot -158:sc= -0.607 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.908 K(o=-0.91,f=-0.072) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.659 -5.534 -1.502 1.00 0.00 N ATOM 67 CA ASN A 8 -8.610 -6.205 -0.742 1.00 0.00 C ATOM 68 C ASN A 8 -7.867 -5.215 0.150 1.00 0.00 C ATOM 69 O ASN A 8 -7.353 -5.581 1.207 1.00 0.00 O ATOM 70 CB ASN A 8 -7.626 -6.894 -1.690 1.00 0.00 C ATOM 71 CG ASN A 8 -8.271 -8.020 -2.474 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.426 -7.921 -2.889 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.525 -9.099 -2.682 1.00 0.00 N ATOM 0 HA ASN A 8 -9.079 -6.957 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.219 -6.159 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.788 -7.289 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.905 -9.889 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.572 -9.138 -2.320 1.00 0.00 H new ATOM 80 N VAL A 9 -7.814 -3.960 -0.284 1.00 0.00 N ATOM 81 CA VAL A 9 -7.136 -2.917 0.475 1.00 0.00 C ATOM 82 C VAL A 9 -7.989 -2.447 1.648 1.00 0.00 C ATOM 83 O VAL A 9 -9.182 -2.184 1.494 1.00 0.00 O ATOM 84 CB VAL A 9 -6.795 -1.707 -0.415 1.00 0.00 C ATOM 85 CG1 VAL A 9 -5.885 -0.738 0.326 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.153 -2.166 -1.715 1.00 0.00 C ATOM 0 H VAL A 9 -8.233 -3.641 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.211 -3.352 0.854 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.720 -1.185 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.655 0.110 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.387 -0.384 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.961 -1.245 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.919 -1.298 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.236 -2.713 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.843 -2.817 -2.252 1.00 0.00 H new ATOM 96 N ARG A 10 -7.370 -2.344 2.819 1.00 0.00 N ATOM 97 CA ARG A 10 -8.073 -1.906 4.019 1.00 0.00 C ATOM 98 C ARG A 10 -7.960 -0.395 4.195 1.00 0.00 C ATOM 99 O ARG A 10 -6.983 0.219 3.767 1.00 0.00 O ATOM 100 CB ARG A 10 -7.512 -2.617 5.252 1.00 0.00 C ATOM 101 CG ARG A 10 -8.034 -4.034 5.429 1.00 0.00 C ATOM 102 CD ARG A 10 -9.289 -4.062 6.287 1.00 0.00 C ATOM 103 NE ARG A 10 -10.501 -3.894 5.490 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.122 -4.895 4.875 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.647 -6.129 4.967 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.220 -4.662 4.168 1.00 0.00 N ATOM 0 H ARG A 10 -6.383 -2.558 2.963 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.126 -2.163 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.425 -2.646 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.758 -2.035 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.250 -4.468 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.263 -4.652 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.338 -5.008 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.234 -3.271 7.035 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.893 -2.956 5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.803 -6.312 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.125 -6.896 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.589 -3.714 4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.696 -5.431 3.696 1.00 0.00 H new ATOM 120 N VAL A 11 -8.968 0.199 4.826 1.00 0.00 N ATOM 121 CA VAL A 11 -8.982 1.638 5.059 1.00 0.00 C ATOM 122 C VAL A 11 -8.695 1.962 6.521 1.00 0.00 C ATOM 123 O VAL A 11 -9.592 1.922 7.363 1.00 0.00 O ATOM 124 CB VAL A 11 -10.336 2.257 4.664 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.335 3.756 4.928 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.650 1.964 3.205 1.00 0.00 C ATOM 0 H VAL A 11 -9.785 -0.294 5.185 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.198 2.067 4.435 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.116 1.805 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.299 4.176 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.159 3.939 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.546 4.228 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.610 2.409 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.869 2.387 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.696 0.886 3.052 1.00 0.00 H new ATOM 136 N ILE A 12 -7.439 2.281 6.814 1.00 0.00 N ATOM 137 CA ILE A 12 -7.034 2.613 8.175 1.00 0.00 C ATOM 138 C ILE A 12 -7.506 4.009 8.564 1.00 0.00 C ATOM 139 O ILE A 12 -7.463 4.939 7.758 1.00 0.00 O ATOM 140 CB ILE A 12 -5.505 2.535 8.341 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.007 1.122 8.031 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.104 2.947 9.750 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.607 0.060 8.926 1.00 0.00 C ATOM 0 H ILE A 12 -6.685 2.317 6.128 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.501 1.879 8.832 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.042 3.225 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.238 0.884 6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.922 1.098 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.020 2.887 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.430 3.970 9.936 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.574 2.279 10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.209 -0.916 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.354 0.274 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.691 0.056 8.810 1.00 0.00 H new ATOM 155 N THR A 13 -7.956 4.151 9.807 1.00 0.00 N ATOM 156 CA THR A 13 -8.436 5.434 10.304 1.00 0.00 C ATOM 157 C THR A 13 -7.644 5.881 11.528 1.00 0.00 C ATOM 158 O THR A 13 -6.665 5.241 11.913 1.00 0.00 O ATOM 159 CB THR A 13 -9.931 5.371 10.670 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.153 4.350 11.649 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.778 5.092 9.438 1.00 0.00 C ATOM 0 H THR A 13 -7.998 3.393 10.488 1.00 0.00 H new ATOM 0 HA THR A 13 -8.296 6.156 9.500 1.00 0.00 H new ATOM 0 HB THR A 13 -10.223 6.337 11.081 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.105 4.318 11.878 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.830 5.052 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.629 5.886 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.483 4.137 9.002 1.00 0.00 H new ATOM 169 N ASP A 14 -8.073 6.981 12.136 1.00 0.00 N ATOM 170 CA ASP A 14 -7.405 7.512 13.318 1.00 0.00 C ATOM 171 C ASP A 14 -7.570 6.570 14.505 1.00 0.00 C ATOM 172 O ASP A 14 -7.040 6.821 15.587 1.00 0.00 O ATOM 173 CB ASP A 14 -7.960 8.894 13.666 1.00 0.00 C ATOM 174 CG ASP A 14 -6.955 9.751 14.411 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.907 9.663 15.655 1.00 0.00 O ATOM 176 OD2 ASP A 14 -6.217 10.511 13.749 1.00 0.00 O ATOM 0 H ASP A 14 -8.881 7.523 11.830 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.342 7.602 13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.259 9.403 12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.857 8.779 14.274 1.00 0.00 H new ATOM 181 N GLU A 15 -8.310 5.485 14.295 1.00 0.00 N ATOM 182 CA GLU A 15 -8.546 4.506 15.350 1.00 0.00 C ATOM 183 C GLU A 15 -8.022 3.132 14.944 1.00 0.00 C ATOM 184 O GLU A 15 -7.472 2.399 15.765 1.00 0.00 O ATOM 185 CB GLU A 15 -10.040 4.420 15.671 1.00 0.00 C ATOM 186 CG GLU A 15 -10.557 5.597 16.480 1.00 0.00 C ATOM 187 CD GLU A 15 -10.088 5.566 17.922 1.00 0.00 C ATOM 188 OE1 GLU A 15 -10.105 4.473 18.527 1.00 0.00 O ATOM 189 OE2 GLU A 15 -9.703 6.632 18.445 1.00 0.00 O ATOM 0 H GLU A 15 -8.756 5.262 13.405 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.008 4.832 16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.600 4.357 14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.232 3.499 16.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.227 6.526 16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.647 5.598 16.456 1.00 0.00 H new ATOM 196 N ASN A 16 -8.198 2.790 13.672 1.00 0.00 N ATOM 197 CA ASN A 16 -7.745 1.503 13.156 1.00 0.00 C ATOM 198 C ASN A 16 -6.232 1.364 13.296 1.00 0.00 C ATOM 199 O ASN A 16 -5.705 0.254 13.369 1.00 0.00 O ATOM 200 CB ASN A 16 -8.149 1.347 11.689 1.00 0.00 C ATOM 201 CG ASN A 16 -8.409 -0.099 11.312 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.628 -0.990 11.647 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.511 -0.338 10.611 1.00 0.00 N ATOM 0 H ASN A 16 -8.651 3.386 12.979 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.221 0.717 13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.045 1.937 11.497 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.361 1.749 11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.739 -1.291 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.130 0.432 10.355 1.00 0.00 H new ATOM 210 N TRP A 17 -5.540 2.497 13.334 1.00 0.00 N ATOM 211 CA TRP A 17 -4.088 2.502 13.466 1.00 0.00 C ATOM 212 C TRP A 17 -3.622 1.393 14.403 1.00 0.00 C ATOM 213 O TRP A 17 -2.752 0.596 14.052 1.00 0.00 O ATOM 214 CB TRP A 17 -3.606 3.858 13.983 1.00 0.00 C ATOM 215 CG TRP A 17 -4.000 4.126 15.404 1.00 0.00 C ATOM 216 CD1 TRP A 17 -5.173 4.674 15.840 1.00 0.00 C ATOM 217 CD2 TRP A 17 -3.220 3.860 16.574 1.00 0.00 C ATOM 218 NE1 TRP A 17 -5.168 4.764 17.211 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.982 4.270 17.686 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.953 3.312 16.792 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -3.516 4.151 18.992 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -1.492 3.195 18.089 1.00 0.00 C ATOM 223 CH2 TRP A 17 -2.272 3.612 19.176 1.00 0.00 C ATOM 0 H TRP A 17 -5.961 3.424 13.275 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.659 2.324 12.480 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.520 3.906 13.899 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.010 4.646 13.347 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.985 4.990 15.201 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.925 5.138 17.783 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.345 2.986 15.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -4.115 4.473 19.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.513 2.775 18.268 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.884 3.506 20.178 1.00 0.00 H new ATOM 234 N ARG A 18 -4.208 1.346 15.595 1.00 0.00 N ATOM 235 CA ARG A 18 -3.852 0.335 16.582 1.00 0.00 C ATOM 236 C ARG A 18 -3.572 -1.006 15.910 1.00 0.00 C ATOM 237 O ARG A 18 -2.500 -1.585 16.081 1.00 0.00 O ATOM 238 CB ARG A 18 -4.975 0.177 17.610 1.00 0.00 C ATOM 239 CG ARG A 18 -4.984 1.264 18.672 1.00 0.00 C ATOM 240 CD ARG A 18 -5.896 0.901 19.833 1.00 0.00 C ATOM 241 NE ARG A 18 -6.079 2.017 20.757 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.506 1.875 22.006 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.793 0.670 22.480 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.647 2.940 22.786 1.00 0.00 N ATOM 0 H ARG A 18 -4.932 1.997 15.900 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.946 0.664 17.091 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.934 0.179 17.092 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.877 -0.794 18.096 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.970 1.423 19.040 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.313 2.204 18.229 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.866 0.587 19.447 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.477 0.051 20.371 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.867 2.958 20.424 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.686 -0.151 21.884 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.121 0.564 23.440 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.427 3.869 22.426 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.975 2.830 23.745 1.00 0.00 H new ATOM 258 N GLU A 19 -4.544 -1.494 15.145 1.00 0.00 N ATOM 259 CA GLU A 19 -4.402 -2.767 14.449 1.00 0.00 C ATOM 260 C GLU A 19 -3.018 -2.891 13.819 1.00 0.00 C ATOM 261 O GLU A 19 -2.402 -3.957 13.849 1.00 0.00 O ATOM 262 CB GLU A 19 -5.479 -2.908 13.371 1.00 0.00 C ATOM 263 CG GLU A 19 -6.853 -3.248 13.924 1.00 0.00 C ATOM 264 CD GLU A 19 -7.051 -4.739 14.118 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.049 -5.445 14.358 1.00 0.00 O ATOM 266 OE2 GLU A 19 -8.208 -5.199 14.030 1.00 0.00 O ATOM 0 H GLU A 19 -5.438 -1.027 14.992 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.523 -3.566 15.180 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.543 -1.976 12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.178 -3.684 12.667 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.993 -2.740 14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.618 -2.869 13.246 1.00 0.00 H new ATOM 273 N LEU A 20 -2.534 -1.793 13.248 1.00 0.00 N ATOM 274 CA LEU A 20 -1.222 -1.777 12.610 1.00 0.00 C ATOM 275 C LEU A 20 -0.145 -2.277 13.567 1.00 0.00 C ATOM 276 O LEU A 20 0.764 -3.007 13.169 1.00 0.00 O ATOM 277 CB LEU A 20 -0.882 -0.364 12.133 1.00 0.00 C ATOM 278 CG LEU A 20 -1.964 0.349 11.320 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.629 1.824 11.164 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.128 -0.310 9.958 1.00 0.00 C ATOM 0 H LEU A 20 -3.030 -0.903 13.214 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.255 -2.445 11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.650 0.246 13.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.024 -0.414 11.529 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.909 0.267 11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.410 2.315 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.563 2.288 12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.674 1.928 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.902 0.210 9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.185 -0.259 9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.415 -1.353 10.091 1.00 0.00 H new ATOM 292 N LEU A 21 -0.253 -1.880 14.830 1.00 0.00 N ATOM 293 CA LEU A 21 0.711 -2.289 15.846 1.00 0.00 C ATOM 294 C LEU A 21 0.830 -3.809 15.903 1.00 0.00 C ATOM 295 O LEU A 21 1.886 -4.346 16.235 1.00 0.00 O ATOM 296 CB LEU A 21 0.299 -1.747 17.215 1.00 0.00 C ATOM 297 CG LEU A 21 -0.011 -0.251 17.279 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.718 0.093 18.581 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.265 0.565 17.132 1.00 0.00 C ATOM 0 H LEU A 21 -0.998 -1.275 15.175 1.00 0.00 H new ATOM 0 HA LEU A 21 1.683 -1.877 15.576 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.582 -2.295 17.550 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.098 -1.963 17.924 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.676 -0.002 16.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.930 1.162 18.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.652 -0.464 18.646 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.079 -0.171 19.423 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.025 1.627 17.180 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.954 0.312 17.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.731 0.341 16.173 1.00 0.00 H new ATOM 311 N GLU A 22 -0.260 -4.496 15.575 1.00 0.00 N ATOM 312 CA GLU A 22 -0.276 -5.954 15.588 1.00 0.00 C ATOM 313 C GLU A 22 -0.138 -6.512 14.175 1.00 0.00 C ATOM 314 O GLU A 22 -0.744 -6.003 13.232 1.00 0.00 O ATOM 315 CB GLU A 22 -1.569 -6.466 16.226 1.00 0.00 C ATOM 316 CG GLU A 22 -2.823 -5.816 15.667 1.00 0.00 C ATOM 317 CD GLU A 22 -4.094 -6.385 16.268 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.166 -7.619 16.444 1.00 0.00 O ATOM 319 OE2 GLU A 22 -5.015 -5.595 16.563 1.00 0.00 O ATOM 0 H GLU A 22 -1.143 -4.067 15.297 1.00 0.00 H new ATOM 0 HA GLU A 22 0.573 -6.296 16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.633 -7.544 16.081 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.528 -6.291 17.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.786 -4.743 15.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.846 -5.950 14.585 1.00 0.00 H new ATOM 326 N GLY A 23 0.665 -7.562 14.035 1.00 0.00 N ATOM 327 CA GLY A 23 0.870 -8.172 12.735 1.00 0.00 C ATOM 328 C GLY A 23 1.452 -7.203 11.725 1.00 0.00 C ATOM 329 O GLY A 23 1.715 -6.044 12.047 1.00 0.00 O ATOM 0 H GLY A 23 1.178 -8.001 14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.538 -9.027 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.081 -8.553 12.362 1.00 0.00 H new ATOM 333 N ASP A 24 1.656 -7.678 10.501 1.00 0.00 N ATOM 334 CA ASP A 24 2.212 -6.845 9.441 1.00 0.00 C ATOM 335 C ASP A 24 1.116 -6.038 8.753 1.00 0.00 C ATOM 336 O ASP A 24 0.007 -6.530 8.543 1.00 0.00 O ATOM 337 CB ASP A 24 2.945 -7.711 8.415 1.00 0.00 C ATOM 338 CG ASP A 24 4.097 -8.483 9.026 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.133 -7.857 9.333 1.00 0.00 O ATOM 340 OD2 ASP A 24 3.964 -9.713 9.197 1.00 0.00 O ATOM 0 H ASP A 24 1.445 -8.635 10.218 1.00 0.00 H new ATOM 0 HA ASP A 24 2.921 -6.151 9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.241 -8.411 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.322 -7.077 7.612 1.00 0.00 H new ATOM 345 N TRP A 25 1.433 -4.796 8.406 1.00 0.00 N ATOM 346 CA TRP A 25 0.474 -3.919 7.743 1.00 0.00 C ATOM 347 C TRP A 25 1.174 -2.999 6.749 1.00 0.00 C ATOM 348 O TRP A 25 2.071 -2.241 7.116 1.00 0.00 O ATOM 349 CB TRP A 25 -0.288 -3.088 8.776 1.00 0.00 C ATOM 350 CG TRP A 25 -1.365 -3.857 9.480 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.207 -4.706 10.539 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.763 -3.849 9.175 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.424 -5.226 10.910 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.394 -4.715 10.089 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.544 -3.193 8.220 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.768 -4.941 10.073 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.908 -3.418 8.205 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.509 -4.286 9.128 1.00 0.00 C ATOM 0 H TRP A 25 2.346 -4.373 8.572 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.233 -4.543 7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.416 -2.704 9.514 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.732 -2.225 8.281 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.265 -4.935 11.014 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.580 -5.885 11.673 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.090 -2.522 7.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.232 -5.610 10.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.521 -2.917 7.470 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.577 -4.440 9.092 1.00 0.00 H new ATOM 369 N MET A 26 0.758 -3.071 5.488 1.00 0.00 N ATOM 370 CA MET A 26 1.346 -2.243 4.442 1.00 0.00 C ATOM 371 C MET A 26 0.468 -1.030 4.151 1.00 0.00 C ATOM 372 O MET A 26 -0.626 -1.162 3.602 1.00 0.00 O ATOM 373 CB MET A 26 1.544 -3.062 3.165 1.00 0.00 C ATOM 374 CG MET A 26 2.848 -3.843 3.139 1.00 0.00 C ATOM 375 SD MET A 26 4.297 -2.773 3.054 1.00 0.00 S ATOM 376 CE MET A 26 4.477 -2.588 1.282 1.00 0.00 C ATOM 0 H MET A 26 0.017 -3.694 5.167 1.00 0.00 H new ATOM 0 HA MET A 26 2.316 -1.891 4.794 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.712 -3.757 3.057 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.514 -2.392 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.912 -4.465 4.032 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.847 -4.516 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.203 -1.803 1.070 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.822 -3.528 0.851 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.515 -2.320 0.845 1.00 0.00 H new ATOM 386 N ILE A 27 0.954 0.149 4.524 1.00 0.00 N ATOM 387 CA ILE A 27 0.213 1.385 4.302 1.00 0.00 C ATOM 388 C ILE A 27 0.871 2.234 3.220 1.00 0.00 C ATOM 389 O ILE A 27 2.092 2.227 3.070 1.00 0.00 O ATOM 390 CB ILE A 27 0.102 2.215 5.594 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.301 1.320 6.768 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.899 3.345 5.414 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.150 1.847 8.112 1.00 0.00 C ATOM 0 H ILE A 27 1.857 0.275 4.981 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.787 1.099 3.977 1.00 0.00 H new ATOM 0 HB ILE A 27 1.077 2.652 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.385 1.210 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.119 0.326 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.966 3.922 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.572 3.995 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.878 2.929 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.170 1.162 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.237 1.930 8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.291 2.829 8.285 1.00 0.00 H new ATOM 405 N GLU A 28 0.053 2.966 2.470 1.00 0.00 N ATOM 406 CA GLU A 28 0.557 3.822 1.403 1.00 0.00 C ATOM 407 C GLU A 28 -0.226 5.130 1.338 1.00 0.00 C ATOM 408 O GLU A 28 -1.373 5.159 0.891 1.00 0.00 O ATOM 409 CB GLU A 28 0.475 3.099 0.057 1.00 0.00 C ATOM 410 CG GLU A 28 -0.945 2.777 -0.375 1.00 0.00 C ATOM 411 CD GLU A 28 -1.542 3.850 -1.264 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.777 4.709 -1.752 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.773 3.832 -1.472 1.00 0.00 O ATOM 0 H GLU A 28 -0.961 2.983 2.582 1.00 0.00 H new ATOM 0 HA GLU A 28 1.600 4.053 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.947 3.717 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.047 2.173 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.952 1.825 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.571 2.653 0.509 1.00 0.00 H new ATOM 420 N PHE A 29 0.401 6.212 1.790 1.00 0.00 N ATOM 421 CA PHE A 29 -0.237 7.523 1.785 1.00 0.00 C ATOM 422 C PHE A 29 -0.353 8.066 0.364 1.00 0.00 C ATOM 423 O PHE A 29 0.651 8.378 -0.277 1.00 0.00 O ATOM 424 CB PHE A 29 0.555 8.502 2.654 1.00 0.00 C ATOM 425 CG PHE A 29 0.491 8.187 4.122 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.162 7.090 4.638 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.239 8.988 4.985 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.106 6.797 5.987 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.298 8.700 6.335 1.00 0.00 C ATOM 430 CZ PHE A 29 0.374 7.603 6.837 1.00 0.00 C ATOM 0 H PHE A 29 1.350 6.206 2.164 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.241 7.413 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.597 8.498 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.175 9.510 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.736 6.456 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.768 9.847 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.634 5.939 6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.870 9.333 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.327 7.376 7.892 1.00 0.00 H new ATOM 440 N TYR A 30 -1.584 8.176 -0.122 1.00 0.00 N ATOM 441 CA TYR A 30 -1.833 8.679 -1.468 1.00 0.00 C ATOM 442 C TYR A 30 -2.749 9.898 -1.434 1.00 0.00 C ATOM 443 O TYR A 30 -3.308 10.240 -0.392 1.00 0.00 O ATOM 444 CB TYR A 30 -2.454 7.584 -2.337 1.00 0.00 C ATOM 445 CG TYR A 30 -3.940 7.408 -2.119 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.856 8.262 -2.720 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.427 6.387 -1.312 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.215 8.105 -2.523 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.783 6.222 -1.111 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.673 7.083 -1.717 1.00 0.00 C ATOM 451 OH TYR A 30 -8.025 6.923 -1.519 1.00 0.00 O ATOM 0 H TYR A 30 -2.426 7.924 0.396 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.878 8.978 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.274 7.819 -3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.951 6.639 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.500 9.062 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.733 5.711 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.914 8.778 -2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.145 5.422 -0.482 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.181 6.157 -0.927 1.00 0.00 H new ATOM 461 N ALA A 31 -2.899 10.550 -2.582 1.00 0.00 N ATOM 462 CA ALA A 31 -3.749 11.730 -2.686 1.00 0.00 C ATOM 463 C ALA A 31 -4.439 11.791 -4.044 1.00 0.00 C ATOM 464 O ALA A 31 -3.844 11.505 -5.084 1.00 0.00 O ATOM 465 CB ALA A 31 -2.932 12.991 -2.450 1.00 0.00 C ATOM 0 H ALA A 31 -2.443 10.281 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.520 11.661 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.579 13.864 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.490 12.957 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.140 13.056 -3.196 1.00 0.00 H new ATOM 471 N PRO A 32 -5.725 12.172 -4.039 1.00 0.00 N ATOM 472 CA PRO A 32 -6.524 12.279 -5.263 1.00 0.00 C ATOM 473 C PRO A 32 -6.082 13.442 -6.144 1.00 0.00 C ATOM 474 O PRO A 32 -6.687 13.712 -7.181 1.00 0.00 O ATOM 475 CB PRO A 32 -7.944 12.514 -4.740 1.00 0.00 C ATOM 476 CG PRO A 32 -7.756 13.131 -3.397 1.00 0.00 C ATOM 477 CD PRO A 32 -6.498 12.528 -2.837 1.00 0.00 C ATOM 0 HA PRO A 32 -6.427 11.394 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.506 13.172 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.500 11.579 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.668 14.215 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.609 12.925 -2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.959 13.236 -2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.711 11.653 -2.223 1.00 0.00 H new ATOM 485 N TRP A 33 -5.024 14.127 -5.724 1.00 0.00 N ATOM 486 CA TRP A 33 -4.501 15.262 -6.476 1.00 0.00 C ATOM 487 C TRP A 33 -3.034 15.049 -6.832 1.00 0.00 C ATOM 488 O TRP A 33 -2.450 15.827 -7.588 1.00 0.00 O ATOM 489 CB TRP A 33 -4.661 16.552 -5.670 1.00 0.00 C ATOM 490 CG TRP A 33 -4.748 16.322 -4.192 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.885 16.252 -3.439 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.654 16.134 -3.288 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.563 16.031 -2.121 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.201 15.954 -2.003 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.265 16.098 -3.440 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.406 15.744 -0.879 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.478 15.889 -2.324 1.00 0.00 C ATOM 498 CH2 TRP A 33 -2.050 15.713 -1.057 1.00 0.00 C ATOM 0 H TRP A 33 -4.512 13.916 -4.867 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.072 15.347 -7.401 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.817 17.210 -5.879 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.560 17.071 -6.003 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.889 16.355 -3.822 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.230 15.939 -1.355 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.815 16.231 -4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.845 15.610 0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.404 15.861 -2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.408 15.550 -0.204 1.00 0.00 H new ATOM 509 N CYS A 34 -2.444 13.993 -6.283 1.00 0.00 N ATOM 510 CA CYS A 34 -1.043 13.679 -6.543 1.00 0.00 C ATOM 511 C CYS A 34 -0.886 12.959 -7.878 1.00 0.00 C ATOM 512 O CYS A 34 -1.639 12.043 -8.210 1.00 0.00 O ATOM 513 CB CYS A 34 -0.475 12.817 -5.415 1.00 0.00 C ATOM 514 SG CYS A 34 0.304 13.762 -4.084 1.00 0.00 S ATOM 0 H CYS A 34 -2.913 13.340 -5.655 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.488 14.616 -6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.278 12.212 -4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.258 12.127 -5.833 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.530 14.656 -3.641 1.00 0.00 H new ATOM 520 N PRO A 35 0.114 13.383 -8.665 1.00 0.00 N ATOM 521 CA PRO A 35 0.393 12.793 -9.978 1.00 0.00 C ATOM 522 C PRO A 35 0.946 11.376 -9.871 1.00 0.00 C ATOM 523 O PRO A 35 0.444 10.453 -10.512 1.00 0.00 O ATOM 524 CB PRO A 35 1.443 13.733 -10.574 1.00 0.00 C ATOM 525 CG PRO A 35 2.110 14.353 -9.394 1.00 0.00 C ATOM 526 CD PRO A 35 1.050 14.470 -8.334 1.00 0.00 C ATOM 0 HA PRO A 35 -0.509 12.701 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.157 13.188 -11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.982 14.488 -11.211 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.942 13.739 -9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.519 15.331 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.467 14.350 -7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.561 15.444 -8.361 1.00 0.00 H new ATOM 534 N ALA A 36 1.983 11.210 -9.056 1.00 0.00 N ATOM 535 CA ALA A 36 2.603 9.905 -8.864 1.00 0.00 C ATOM 536 C ALA A 36 1.597 8.894 -8.325 1.00 0.00 C ATOM 537 O ALA A 36 1.645 7.712 -8.668 1.00 0.00 O ATOM 538 CB ALA A 36 3.794 10.020 -7.924 1.00 0.00 C ATOM 0 H ALA A 36 2.411 11.963 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 36 2.952 9.550 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.248 9.038 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.529 10.704 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.460 10.401 -6.959 1.00 0.00 H new ATOM 544 N CYS A 37 0.687 9.365 -7.479 1.00 0.00 N ATOM 545 CA CYS A 37 -0.330 8.501 -6.891 1.00 0.00 C ATOM 546 C CYS A 37 -1.156 7.817 -7.976 1.00 0.00 C ATOM 547 O CYS A 37 -1.225 6.590 -8.036 1.00 0.00 O ATOM 548 CB CYS A 37 -1.245 9.309 -5.969 1.00 0.00 C ATOM 549 SG CYS A 37 -2.902 8.612 -5.779 1.00 0.00 S ATOM 0 H CYS A 37 0.633 10.340 -7.185 1.00 0.00 H new ATOM 0 HA CYS A 37 0.175 7.733 -6.306 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.779 9.384 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.332 10.323 -6.359 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.734 9.555 -5.451 1.00 0.00 H new ATOM 555 N GLN A 38 -1.782 8.621 -8.830 1.00 0.00 N ATOM 556 CA GLN A 38 -2.606 8.093 -9.911 1.00 0.00 C ATOM 557 C GLN A 38 -1.930 6.898 -10.576 1.00 0.00 C ATOM 558 O GLN A 38 -2.592 6.058 -11.184 1.00 0.00 O ATOM 559 CB GLN A 38 -2.880 9.181 -10.950 1.00 0.00 C ATOM 560 CG GLN A 38 -3.274 10.517 -10.341 1.00 0.00 C ATOM 561 CD GLN A 38 -4.115 11.361 -11.279 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.206 11.078 -12.474 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.737 12.404 -10.741 1.00 0.00 N ATOM 0 H GLN A 38 -1.734 9.639 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.553 7.762 -9.484 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.989 9.319 -11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.676 8.845 -11.615 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.829 10.342 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.373 11.069 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.634 12.602 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.318 13.007 -11.323 1.00 0.00 H new ATOM 572 N ASN A 39 -0.608 6.829 -10.456 1.00 0.00 N ATOM 573 CA ASN A 39 0.157 5.737 -11.046 1.00 0.00 C ATOM 574 C ASN A 39 0.261 4.561 -10.080 1.00 0.00 C ATOM 575 O ASN A 39 0.266 3.401 -10.495 1.00 0.00 O ATOM 576 CB ASN A 39 1.557 6.219 -11.433 1.00 0.00 C ATOM 577 CG ASN A 39 2.421 5.101 -11.984 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.922 4.168 -12.614 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.725 5.190 -11.747 1.00 0.00 N ATOM 0 H ASN A 39 -0.045 7.516 -9.956 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.366 5.403 -11.942 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.473 7.010 -12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.043 6.654 -10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.357 4.467 -12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.095 5.981 -11.220 1.00 0.00 H new ATOM 586 N LEU A 40 0.342 4.867 -8.790 1.00 0.00 N ATOM 587 CA LEU A 40 0.444 3.836 -7.764 1.00 0.00 C ATOM 588 C LEU A 40 -0.912 3.188 -7.505 1.00 0.00 C ATOM 589 O LEU A 40 -0.995 1.996 -7.213 1.00 0.00 O ATOM 590 CB LEU A 40 0.993 4.433 -6.467 1.00 0.00 C ATOM 591 CG LEU A 40 1.232 3.446 -5.323 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.361 2.489 -5.671 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.541 4.191 -4.032 1.00 0.00 C ATOM 0 H LEU A 40 0.339 5.821 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 40 1.129 3.068 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.935 4.934 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.299 5.199 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 40 0.322 2.864 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.517 1.794 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.101 1.931 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.276 3.054 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.708 3.473 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.436 4.799 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.701 4.835 -3.774 1.00 0.00 H new ATOM 605 N GLN A 41 -1.972 3.982 -7.617 1.00 0.00 N ATOM 606 CA GLN A 41 -3.325 3.485 -7.397 1.00 0.00 C ATOM 607 C GLN A 41 -3.460 2.044 -7.878 1.00 0.00 C ATOM 608 O GLN A 41 -3.836 1.145 -7.125 1.00 0.00 O ATOM 609 CB GLN A 41 -4.341 4.373 -8.116 1.00 0.00 C ATOM 610 CG GLN A 41 -4.848 5.528 -7.268 1.00 0.00 C ATOM 611 CD GLN A 41 -5.220 5.101 -5.862 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.369 4.750 -5.592 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.248 5.128 -4.958 1.00 0.00 N ATOM 0 H GLN A 41 -1.920 4.972 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.525 3.512 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.885 4.772 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.189 3.762 -8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.081 6.301 -7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.718 5.973 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.310 5.426 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.439 4.851 -3.995 1.00 0.00 H new ATOM 622 N PRO A 42 -3.148 1.817 -9.162 1.00 0.00 N ATOM 623 CA PRO A 42 -3.227 0.486 -9.773 1.00 0.00 C ATOM 624 C PRO A 42 -2.155 -0.460 -9.243 1.00 0.00 C ATOM 625 O PRO A 42 -2.439 -1.610 -8.911 1.00 0.00 O ATOM 626 CB PRO A 42 -3.005 0.765 -11.261 1.00 0.00 C ATOM 627 CG PRO A 42 -2.225 2.034 -11.297 1.00 0.00 C ATOM 628 CD PRO A 42 -2.692 2.841 -10.117 1.00 0.00 C ATOM 0 HA PRO A 42 -4.174 -0.007 -9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.459 -0.049 -11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.952 0.868 -11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.155 1.836 -11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.397 2.571 -12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.888 3.448 -9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.497 3.523 -10.390 1.00 0.00 H new ATOM 636 N GLU A 43 -0.923 0.034 -9.165 1.00 0.00 N ATOM 637 CA GLU A 43 0.192 -0.769 -8.675 1.00 0.00 C ATOM 638 C GLU A 43 -0.140 -1.392 -7.322 1.00 0.00 C ATOM 639 O GLU A 43 0.234 -2.531 -7.043 1.00 0.00 O ATOM 640 CB GLU A 43 1.454 0.087 -8.559 1.00 0.00 C ATOM 641 CG GLU A 43 2.308 0.086 -9.817 1.00 0.00 C ATOM 642 CD GLU A 43 3.022 -1.233 -10.036 1.00 0.00 C ATOM 643 OE1 GLU A 43 2.514 -2.269 -9.558 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.088 -1.230 -10.687 1.00 0.00 O ATOM 0 H GLU A 43 -0.672 0.985 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 43 0.371 -1.571 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.167 1.112 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.053 -0.275 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.678 0.301 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.044 0.887 -9.752 1.00 0.00 H new ATOM 651 N TRP A 44 -0.844 -0.636 -6.487 1.00 0.00 N ATOM 652 CA TRP A 44 -1.225 -1.112 -5.162 1.00 0.00 C ATOM 653 C TRP A 44 -2.159 -2.313 -5.264 1.00 0.00 C ATOM 654 O TRP A 44 -1.885 -3.373 -4.701 1.00 0.00 O ATOM 655 CB TRP A 44 -1.900 0.008 -4.369 1.00 0.00 C ATOM 656 CG TRP A 44 -1.835 -0.192 -2.885 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.887 -0.216 -2.015 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.656 -0.393 -2.099 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.433 -0.421 -0.734 1.00 0.00 N ATOM 660 CE2 TRP A 44 -1.068 -0.533 -0.759 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.707 -0.471 -2.396 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.165 -0.745 0.279 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.602 -0.681 -1.364 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.164 -0.817 -0.040 1.00 0.00 C ATOM 0 H TRP A 44 -1.162 0.308 -6.704 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.320 -1.422 -4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.428 0.957 -4.621 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.944 0.080 -4.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.923 -0.092 -2.293 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.018 -0.480 0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.055 -0.369 -3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.501 -0.849 1.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.658 -0.741 -1.582 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.889 -0.982 0.744 1.00 0.00 H new ATOM 675 N GLU A 45 -3.262 -2.141 -5.986 1.00 0.00 N ATOM 676 CA GLU A 45 -4.236 -3.212 -6.159 1.00 0.00 C ATOM 677 C GLU A 45 -3.544 -4.523 -6.520 1.00 0.00 C ATOM 678 O GLU A 45 -3.786 -5.557 -5.898 1.00 0.00 O ATOM 679 CB GLU A 45 -5.247 -2.841 -7.246 1.00 0.00 C ATOM 680 CG GLU A 45 -6.342 -1.903 -6.764 1.00 0.00 C ATOM 681 CD GLU A 45 -7.465 -1.751 -7.771 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.045 -2.781 -8.175 1.00 0.00 O ATOM 683 OE2 GLU A 45 -7.765 -0.601 -8.156 1.00 0.00 O ATOM 0 H GLU A 45 -3.503 -1.271 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.762 -3.346 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.719 -2.373 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.704 -3.752 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.749 -2.278 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.911 -0.924 -6.556 1.00 0.00 H new ATOM 690 N SER A 46 -2.681 -4.472 -7.531 1.00 0.00 N ATOM 691 CA SER A 46 -1.957 -5.655 -7.978 1.00 0.00 C ATOM 692 C SER A 46 -1.204 -6.302 -6.819 1.00 0.00 C ATOM 693 O SER A 46 -1.094 -7.526 -6.742 1.00 0.00 O ATOM 694 CB SER A 46 -0.978 -5.288 -9.095 1.00 0.00 C ATOM 695 OG SER A 46 0.134 -4.575 -8.584 1.00 0.00 O ATOM 0 H SER A 46 -2.467 -3.624 -8.055 1.00 0.00 H new ATOM 0 HA SER A 46 -2.683 -6.371 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.635 -6.194 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.488 -4.684 -9.846 1.00 0.00 H new ATOM 0 HG SER A 46 -0.168 -3.720 -8.213 1.00 0.00 H new ATOM 701 N PHE A 47 -0.688 -5.471 -5.920 1.00 0.00 N ATOM 702 CA PHE A 47 0.056 -5.960 -4.765 1.00 0.00 C ATOM 703 C PHE A 47 -0.871 -6.671 -3.783 1.00 0.00 C ATOM 704 O PHE A 47 -0.692 -7.852 -3.489 1.00 0.00 O ATOM 705 CB PHE A 47 0.769 -4.802 -4.064 1.00 0.00 C ATOM 706 CG PHE A 47 1.095 -5.083 -2.624 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.337 -6.377 -2.195 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.158 -4.051 -1.701 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.638 -6.639 -0.871 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.458 -4.307 -0.377 1.00 0.00 C ATOM 711 CZ PHE A 47 1.697 -5.602 0.039 1.00 0.00 C ATOM 0 H PHE A 47 -0.771 -4.456 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 47 0.799 -6.675 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.691 -4.576 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.142 -3.912 -4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.290 -7.191 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.971 -3.036 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.827 -7.653 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.506 -3.494 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.930 -5.803 1.074 1.00 0.00 H new ATOM 721 N ALA A 48 -1.861 -5.942 -3.279 1.00 0.00 N ATOM 722 CA ALA A 48 -2.817 -6.502 -2.332 1.00 0.00 C ATOM 723 C ALA A 48 -3.280 -7.886 -2.773 1.00 0.00 C ATOM 724 O ALA A 48 -3.587 -8.741 -1.944 1.00 0.00 O ATOM 725 CB ALA A 48 -4.009 -5.570 -2.171 1.00 0.00 C ATOM 0 H ALA A 48 -2.022 -4.962 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.318 -6.605 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.715 -6.001 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.668 -4.603 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.500 -5.437 -3.135 1.00 0.00 H new ATOM 731 N GLU A 49 -3.329 -8.098 -4.085 1.00 0.00 N ATOM 732 CA GLU A 49 -3.758 -9.379 -4.635 1.00 0.00 C ATOM 733 C GLU A 49 -3.049 -10.536 -3.936 1.00 0.00 C ATOM 734 O GLU A 49 -3.688 -11.383 -3.313 1.00 0.00 O ATOM 735 CB GLU A 49 -3.481 -9.431 -6.139 1.00 0.00 C ATOM 736 CG GLU A 49 -4.353 -8.489 -6.951 1.00 0.00 C ATOM 737 CD GLU A 49 -4.429 -8.880 -8.415 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.383 -8.835 -9.095 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.534 -9.230 -8.879 1.00 0.00 O ATOM 0 H GLU A 49 -3.077 -7.401 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.830 -9.477 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.434 -9.186 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.634 -10.450 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.358 -8.476 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.960 -7.475 -6.869 1.00 0.00 H new ATOM 746 N TRP A 50 -1.726 -10.563 -4.045 1.00 0.00 N ATOM 747 CA TRP A 50 -0.930 -11.616 -3.424 1.00 0.00 C ATOM 748 C TRP A 50 -0.566 -11.249 -1.990 1.00 0.00 C ATOM 749 O TRP A 50 -0.240 -12.117 -1.181 1.00 0.00 O ATOM 750 CB TRP A 50 0.341 -11.870 -4.237 1.00 0.00 C ATOM 751 CG TRP A 50 1.101 -10.619 -4.556 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.136 -9.964 -5.754 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.938 -9.874 -3.665 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.944 -8.856 -5.661 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.448 -8.778 -4.390 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.305 -10.024 -2.325 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.304 -7.842 -3.818 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.156 -9.094 -1.759 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.647 -8.013 -2.504 1.00 0.00 C ATOM 0 H TRP A 50 -1.182 -9.869 -4.557 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.529 -12.527 -3.405 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.989 -12.549 -3.683 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.075 -12.372 -5.167 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.607 -10.272 -6.644 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.137 -8.198 -6.416 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.930 -10.852 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.685 -7.009 -4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.448 -9.202 -0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.309 -7.301 -2.032 1.00 0.00 H new ATOM 770 N GLY A 51 -0.623 -9.957 -1.681 1.00 0.00 N ATOM 771 CA GLY A 51 -0.296 -9.499 -0.344 1.00 0.00 C ATOM 772 C GLY A 51 -0.765 -10.461 0.730 1.00 0.00 C ATOM 773 O GLY A 51 0.043 -11.161 1.340 1.00 0.00 O ATOM 0 H GLY A 51 -0.890 -9.220 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.783 -9.366 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.751 -8.523 -0.176 1.00 0.00 H new ATOM 777 N GLU A 52 -2.074 -10.495 0.961 1.00 0.00 N ATOM 778 CA GLU A 52 -2.647 -11.378 1.971 1.00 0.00 C ATOM 779 C GLU A 52 -2.125 -12.802 1.808 1.00 0.00 C ATOM 780 O GLU A 52 -2.089 -13.575 2.766 1.00 0.00 O ATOM 781 CB GLU A 52 -4.174 -11.369 1.879 1.00 0.00 C ATOM 782 CG GLU A 52 -4.709 -11.939 0.576 1.00 0.00 C ATOM 783 CD GLU A 52 -6.224 -11.947 0.520 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.818 -10.862 0.355 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.816 -13.041 0.642 1.00 0.00 O ATOM 0 H GLU A 52 -2.756 -9.923 0.464 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.347 -11.010 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.583 -11.942 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.530 -10.345 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.322 -11.354 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.339 -12.957 0.450 1.00 0.00 H new ATOM 792 N ASP A 53 -1.721 -13.143 0.589 1.00 0.00 N ATOM 793 CA ASP A 53 -1.200 -14.474 0.300 1.00 0.00 C ATOM 794 C ASP A 53 0.135 -14.699 1.003 1.00 0.00 C ATOM 795 O ASP A 53 0.412 -15.792 1.498 1.00 0.00 O ATOM 796 CB ASP A 53 -1.035 -14.663 -1.209 1.00 0.00 C ATOM 797 CG ASP A 53 -1.218 -16.107 -1.634 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.321 -16.653 -1.419 1.00 0.00 O ATOM 799 OD2 ASP A 53 -0.260 -16.691 -2.181 1.00 0.00 O ATOM 0 H ASP A 53 -1.744 -12.516 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.915 -15.207 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.759 -14.039 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.044 -14.322 -1.509 1.00 0.00 H new ATOM 804 N LEU A 54 0.960 -13.658 1.042 1.00 0.00 N ATOM 805 CA LEU A 54 2.268 -13.742 1.683 1.00 0.00 C ATOM 806 C LEU A 54 2.169 -13.405 3.167 1.00 0.00 C ATOM 807 O LEU A 54 3.146 -12.979 3.782 1.00 0.00 O ATOM 808 CB LEU A 54 3.255 -12.797 0.998 1.00 0.00 C ATOM 809 CG LEU A 54 3.406 -12.964 -0.515 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.295 -11.871 -1.087 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.968 -14.339 -0.845 1.00 0.00 C ATOM 0 H LEU A 54 0.746 -12.746 0.637 1.00 0.00 H new ATOM 0 HA LEU A 54 2.628 -14.766 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.946 -11.772 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.234 -12.931 1.458 1.00 0.00 H new ATOM 0 HG LEU A 54 2.420 -12.877 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.391 -12.006 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.852 -10.897 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.281 -11.925 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.069 -14.441 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.945 -14.455 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.293 -15.108 -0.470 1.00 0.00 H new ATOM 823 N GLU A 55 0.983 -13.599 3.736 1.00 0.00 N ATOM 824 CA GLU A 55 0.758 -13.316 5.148 1.00 0.00 C ATOM 825 C GLU A 55 1.084 -11.861 5.470 1.00 0.00 C ATOM 826 O GLU A 55 1.888 -11.574 6.357 1.00 0.00 O ATOM 827 CB GLU A 55 1.608 -14.245 6.019 1.00 0.00 C ATOM 828 CG GLU A 55 1.023 -15.639 6.172 1.00 0.00 C ATOM 829 CD GLU A 55 1.939 -16.575 6.937 1.00 0.00 C ATOM 830 OE1 GLU A 55 2.279 -16.257 8.096 1.00 0.00 O ATOM 831 OE2 GLU A 55 2.314 -17.626 6.377 1.00 0.00 O ATOM 0 H GLU A 55 0.164 -13.951 3.240 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.296 -13.491 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.605 -14.324 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.724 -13.798 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.065 -15.572 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.825 -16.056 5.185 1.00 0.00 H new ATOM 838 N VAL A 56 0.454 -10.944 4.742 1.00 0.00 N ATOM 839 CA VAL A 56 0.675 -9.518 4.949 1.00 0.00 C ATOM 840 C VAL A 56 -0.571 -8.712 4.601 1.00 0.00 C ATOM 841 O VAL A 56 -1.130 -8.854 3.514 1.00 0.00 O ATOM 842 CB VAL A 56 1.857 -9.005 4.105 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.382 -8.578 2.725 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.560 -7.858 4.815 1.00 0.00 C ATOM 0 H VAL A 56 -0.214 -11.164 4.003 1.00 0.00 H new ATOM 0 HA VAL A 56 0.907 -9.384 6.006 1.00 0.00 H new ATOM 0 HB VAL A 56 2.572 -9.818 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.231 -8.219 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.928 -9.429 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.646 -7.780 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.392 -7.508 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.856 -7.041 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.936 -8.202 5.778 1.00 0.00 H new ATOM 854 N ASN A 57 -1.001 -7.866 5.531 1.00 0.00 N ATOM 855 CA ASN A 57 -2.183 -7.037 5.323 1.00 0.00 C ATOM 856 C ASN A 57 -1.826 -5.765 4.558 1.00 0.00 C ATOM 857 O ASN A 57 -0.728 -5.229 4.704 1.00 0.00 O ATOM 858 CB ASN A 57 -2.821 -6.675 6.665 1.00 0.00 C ATOM 859 CG ASN A 57 -2.916 -7.866 7.599 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.481 -8.902 7.247 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.363 -7.724 8.798 1.00 0.00 N ATOM 0 H ASN A 57 -0.549 -7.736 6.436 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.898 -7.609 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.236 -5.888 7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.819 -6.271 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.396 -8.491 9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.905 -6.848 9.048 1.00 0.00 H new ATOM 868 N ILE A 58 -2.763 -5.290 3.744 1.00 0.00 N ATOM 869 CA ILE A 58 -2.548 -4.081 2.958 1.00 0.00 C ATOM 870 C ILE A 58 -3.677 -3.078 3.172 1.00 0.00 C ATOM 871 O ILE A 58 -4.854 -3.421 3.062 1.00 0.00 O ATOM 872 CB ILE A 58 -2.437 -4.399 1.455 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.304 -5.396 1.205 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.212 -3.122 0.659 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.709 -6.838 1.421 1.00 0.00 C ATOM 0 H ILE A 58 -3.677 -5.723 3.612 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.609 -3.646 3.299 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.372 -4.850 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.945 -5.277 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.470 -5.159 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.136 -3.363 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.049 -2.442 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.290 -2.645 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.856 -7.489 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.040 -6.973 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.523 -7.093 0.742 1.00 0.00 H new ATOM 887 N ALA A 59 -3.310 -1.838 3.476 1.00 0.00 N ATOM 888 CA ALA A 59 -4.291 -0.784 3.702 1.00 0.00 C ATOM 889 C ALA A 59 -3.952 0.464 2.894 1.00 0.00 C ATOM 890 O ALA A 59 -2.956 0.497 2.172 1.00 0.00 O ATOM 891 CB ALA A 59 -4.375 -0.449 5.184 1.00 0.00 C ATOM 0 H ALA A 59 -2.340 -1.538 3.572 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.262 -1.149 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.112 0.340 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.673 -1.337 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.401 -0.109 5.536 1.00 0.00 H new ATOM 897 N LYS A 60 -4.788 1.489 3.020 1.00 0.00 N ATOM 898 CA LYS A 60 -4.577 2.741 2.302 1.00 0.00 C ATOM 899 C LYS A 60 -5.099 3.925 3.109 1.00 0.00 C ATOM 900 O LYS A 60 -6.164 3.851 3.722 1.00 0.00 O ATOM 901 CB LYS A 60 -5.271 2.694 0.939 1.00 0.00 C ATOM 902 CG LYS A 60 -6.779 2.864 1.017 1.00 0.00 C ATOM 903 CD LYS A 60 -7.458 2.419 -0.267 1.00 0.00 C ATOM 904 CE LYS A 60 -8.941 2.161 -0.052 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.205 0.755 0.360 1.00 0.00 N ATOM 0 H LYS A 60 -5.618 1.478 3.613 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.505 2.869 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.858 3.477 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.046 1.742 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.168 2.285 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.018 3.909 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.328 3.184 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.980 1.512 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.321 2.840 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.485 2.378 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.062 0.721 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.341 0.165 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.396 0.396 0.906 1.00 0.00 H new ATOM 919 N VAL A 61 -4.342 5.018 3.104 1.00 0.00 N ATOM 920 CA VAL A 61 -4.730 6.220 3.833 1.00 0.00 C ATOM 921 C VAL A 61 -4.983 7.383 2.881 1.00 0.00 C ATOM 922 O VAL A 61 -4.248 7.578 1.912 1.00 0.00 O ATOM 923 CB VAL A 61 -3.650 6.631 4.852 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.958 8.002 5.433 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.535 5.589 5.954 1.00 0.00 C ATOM 0 H VAL A 61 -3.457 5.096 2.603 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.651 5.984 4.366 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.691 6.689 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.184 8.275 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.986 8.739 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.925 7.976 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.768 5.895 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.491 5.497 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.263 4.627 5.519 1.00 0.00 H new ATOM 935 N ASP A 62 -6.027 8.154 3.163 1.00 0.00 N ATOM 936 CA ASP A 62 -6.378 9.301 2.333 1.00 0.00 C ATOM 937 C ASP A 62 -6.061 10.609 3.050 1.00 0.00 C ATOM 938 O ASP A 62 -6.876 11.122 3.817 1.00 0.00 O ATOM 939 CB ASP A 62 -7.861 9.255 1.962 1.00 0.00 C ATOM 940 CG ASP A 62 -8.137 9.869 0.603 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.179 10.029 -0.182 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.312 10.188 0.325 1.00 0.00 O ATOM 0 H ASP A 62 -6.646 8.006 3.960 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.782 9.254 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.202 8.220 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.439 9.783 2.720 1.00 0.00 H new ATOM 947 N VAL A 63 -4.870 11.143 2.798 1.00 0.00 N ATOM 948 CA VAL A 63 -4.445 12.392 3.420 1.00 0.00 C ATOM 949 C VAL A 63 -5.598 13.386 3.501 1.00 0.00 C ATOM 950 O VAL A 63 -5.613 14.269 4.360 1.00 0.00 O ATOM 951 CB VAL A 63 -3.280 13.036 2.645 1.00 0.00 C ATOM 952 CG1 VAL A 63 -2.036 12.166 2.730 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.674 13.278 1.196 1.00 0.00 C ATOM 0 H VAL A 63 -4.182 10.730 2.168 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.110 12.146 4.428 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.051 13.999 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.224 12.637 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.744 12.049 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.247 11.187 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.839 13.733 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.930 12.329 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.535 13.945 1.160 1.00 0.00 H new ATOM 963 N THR A 64 -6.566 13.236 2.602 1.00 0.00 N ATOM 964 CA THR A 64 -7.724 14.121 2.571 1.00 0.00 C ATOM 965 C THR A 64 -8.715 13.767 3.674 1.00 0.00 C ATOM 966 O THR A 64 -9.207 14.645 4.383 1.00 0.00 O ATOM 967 CB THR A 64 -8.443 14.058 1.211 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.988 12.750 1.005 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.487 14.399 0.077 1.00 0.00 C ATOM 0 H THR A 64 -6.571 12.510 1.886 1.00 0.00 H new ATOM 0 HA THR A 64 -7.353 15.133 2.730 1.00 0.00 H new ATOM 0 HB THR A 64 -9.250 14.791 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.445 12.719 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.017 14.348 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.096 15.406 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.661 13.687 0.071 1.00 0.00 H new ATOM 977 N GLU A 65 -9.003 12.477 3.814 1.00 0.00 N ATOM 978 CA GLU A 65 -9.936 12.009 4.831 1.00 0.00 C ATOM 979 C GLU A 65 -9.290 12.030 6.213 1.00 0.00 C ATOM 980 O GLU A 65 -9.924 12.403 7.200 1.00 0.00 O ATOM 981 CB GLU A 65 -10.417 10.594 4.502 1.00 0.00 C ATOM 982 CG GLU A 65 -11.296 10.522 3.265 1.00 0.00 C ATOM 983 CD GLU A 65 -11.688 9.101 2.910 1.00 0.00 C ATOM 984 OE1 GLU A 65 -10.894 8.419 2.229 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.789 8.671 3.313 1.00 0.00 O ATOM 0 H GLU A 65 -8.603 11.738 3.236 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.793 12.683 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.550 9.949 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.971 10.200 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.197 11.113 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.769 10.971 2.423 1.00 0.00 H new ATOM 992 N GLN A 66 -8.025 11.626 6.275 1.00 0.00 N ATOM 993 CA GLN A 66 -7.293 11.597 7.536 1.00 0.00 C ATOM 994 C GLN A 66 -6.189 12.649 7.549 1.00 0.00 C ATOM 995 O GLN A 66 -5.036 12.378 7.213 1.00 0.00 O ATOM 996 CB GLN A 66 -6.694 10.209 7.770 1.00 0.00 C ATOM 997 CG GLN A 66 -7.718 9.087 7.717 1.00 0.00 C ATOM 998 CD GLN A 66 -8.730 9.168 8.843 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.445 9.709 9.912 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -9.921 8.628 8.610 1.00 0.00 N ATOM 0 H GLN A 66 -7.486 11.314 5.467 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.994 11.823 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.925 10.023 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.201 10.194 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.240 9.122 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.203 8.127 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.115 8.190 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.642 8.652 9.331 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.549 13.879 7.944 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.603 14.997 8.010 1.00 0.00 C ATOM 1011 C PRO A 67 -4.583 14.828 9.131 1.00 0.00 C ATOM 1012 O PRO A 67 -3.534 15.470 9.131 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.501 16.207 8.282 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.706 15.640 8.952 1.00 0.00 C ATOM 1015 CD PRO A 67 -7.906 14.274 8.358 1.00 0.00 C ATOM 0 HA PRO A 67 -5.012 15.084 7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.000 16.937 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.766 16.719 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.560 15.579 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.579 16.270 8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.323 13.577 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.592 14.301 7.512 1.00 0.00 H new ATOM 1023 N GLY A 68 -4.899 13.959 10.087 1.00 0.00 N ATOM 1024 CA GLY A 68 -3.999 13.721 11.201 1.00 0.00 C ATOM 1025 C GLY A 68 -2.986 12.633 10.905 1.00 0.00 C ATOM 1026 O GLY A 68 -1.779 12.859 10.991 1.00 0.00 O ATOM 0 H GLY A 68 -5.762 13.416 10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.475 14.645 11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.580 13.443 12.080 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.477 11.449 10.558 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.606 10.320 10.251 1.00 0.00 C ATOM 1032 C LEU A 69 -1.438 10.757 9.372 1.00 0.00 C ATOM 1033 O LEU A 69 -0.353 10.179 9.433 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.399 9.214 9.552 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.118 8.223 10.468 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.071 7.350 9.666 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.112 7.364 11.220 1.00 0.00 C ATOM 0 H LEU A 69 -4.474 11.246 10.482 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.207 9.935 11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.139 9.680 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.718 8.656 8.910 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.700 8.788 11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.574 6.651 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.813 7.979 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.510 6.794 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.642 6.665 11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.503 6.808 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.469 8.003 11.826 1.00 0.00 H new ATOM 1049 N SER A 70 -1.668 11.782 8.558 1.00 0.00 N ATOM 1050 CA SER A 70 -0.636 12.296 7.665 1.00 0.00 C ATOM 1051 C SER A 70 0.514 12.908 8.460 1.00 0.00 C ATOM 1052 O SER A 70 1.637 12.407 8.435 1.00 0.00 O ATOM 1053 CB SER A 70 -1.226 13.339 6.715 1.00 0.00 C ATOM 1054 OG SER A 70 -0.209 13.977 5.962 1.00 0.00 O ATOM 0 H SER A 70 -2.560 12.273 8.498 1.00 0.00 H new ATOM 0 HA SER A 70 -0.248 11.462 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.936 12.861 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.781 14.083 7.286 1.00 0.00 H new ATOM 0 HG SER A 70 -0.613 14.638 5.361 1.00 0.00 H new ATOM 1060 N GLY A 71 0.223 13.997 9.166 1.00 0.00 N ATOM 1061 CA GLY A 71 1.241 14.661 9.958 1.00 0.00 C ATOM 1062 C GLY A 71 1.804 13.768 11.046 1.00 0.00 C ATOM 1063 O GLY A 71 3.002 13.800 11.326 1.00 0.00 O ATOM 0 H GLY A 71 -0.699 14.431 9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.050 14.986 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.817 15.557 10.411 1.00 0.00 H new ATOM 1067 N ARG A 72 0.938 12.970 11.661 1.00 0.00 N ATOM 1068 CA ARG A 72 1.355 12.066 12.726 1.00 0.00 C ATOM 1069 C ARG A 72 2.573 11.251 12.302 1.00 0.00 C ATOM 1070 O ARG A 72 3.563 11.170 13.030 1.00 0.00 O ATOM 1071 CB ARG A 72 0.208 11.127 13.106 1.00 0.00 C ATOM 1072 CG ARG A 72 0.591 10.087 14.146 1.00 0.00 C ATOM 1073 CD ARG A 72 -0.634 9.530 14.854 1.00 0.00 C ATOM 1074 NE ARG A 72 -0.978 10.304 16.044 1.00 0.00 N ATOM 1075 CZ ARG A 72 -2.202 10.360 16.556 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.194 9.691 15.985 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -2.436 11.086 17.642 1.00 0.00 N ATOM 0 H ARG A 72 -0.057 12.931 11.440 1.00 0.00 H new ATOM 0 HA ARG A 72 1.626 12.668 13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.624 11.719 13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.146 10.618 12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.136 9.274 13.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.264 10.533 14.878 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.480 9.527 14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.449 8.494 15.137 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.237 10.830 16.507 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.018 9.132 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.133 9.736 16.380 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.675 11.602 18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.377 11.128 18.034 1.00 0.00 H new ATOM 1091 N PHE A 73 2.494 10.649 11.120 1.00 0.00 N ATOM 1092 CA PHE A 73 3.590 9.840 10.599 1.00 0.00 C ATOM 1093 C PHE A 73 4.599 10.707 9.852 1.00 0.00 C ATOM 1094 O PHE A 73 5.184 10.279 8.857 1.00 0.00 O ATOM 1095 CB PHE A 73 3.050 8.750 9.670 1.00 0.00 C ATOM 1096 CG PHE A 73 2.383 7.619 10.398 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.099 7.762 10.900 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.038 6.412 10.579 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.483 6.722 11.570 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.427 5.368 11.249 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.147 5.523 11.744 1.00 0.00 C ATOM 0 H PHE A 73 1.682 10.706 10.505 1.00 0.00 H new ATOM 0 HA PHE A 73 4.096 9.371 11.443 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.337 9.195 8.976 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.871 8.353 9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.574 8.696 10.766 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.038 6.285 10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.517 6.847 11.958 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.950 4.433 11.385 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.666 4.709 12.266 1.00 0.00 H new ATOM 1111 N ILE A 74 4.797 11.927 10.339 1.00 0.00 N ATOM 1112 CA ILE A 74 5.735 12.854 9.719 1.00 0.00 C ATOM 1113 C ILE A 74 5.909 12.550 8.235 1.00 0.00 C ATOM 1114 O ILE A 74 7.031 12.484 7.732 1.00 0.00 O ATOM 1115 CB ILE A 74 7.113 12.805 10.406 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.679 11.384 10.360 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.005 13.291 11.844 1.00 0.00 C ATOM 1118 CD1 ILE A 74 7.047 10.448 11.367 1.00 0.00 C ATOM 0 H ILE A 74 4.320 12.297 11.161 1.00 0.00 H new ATOM 0 HA ILE A 74 5.315 13.853 9.836 1.00 0.00 H new ATOM 0 HB ILE A 74 7.794 13.465 9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.536 10.977 9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.754 11.424 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.986 13.251 12.316 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.639 14.318 11.855 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.312 12.653 12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.497 9.459 11.277 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.212 10.832 12.374 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.976 10.378 11.176 1.00 0.00 H new ATOM 1130 N ILE A 75 4.791 12.366 7.540 1.00 0.00 N ATOM 1131 CA ILE A 75 4.820 12.072 6.112 1.00 0.00 C ATOM 1132 C ILE A 75 5.263 13.290 5.309 1.00 0.00 C ATOM 1133 O ILE A 75 6.323 13.282 4.685 1.00 0.00 O ATOM 1134 CB ILE A 75 3.441 11.610 5.605 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.877 10.519 6.518 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.544 11.109 4.172 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.628 9.209 6.429 1.00 0.00 C ATOM 0 H ILE A 75 3.855 12.415 7.942 1.00 0.00 H new ATOM 0 HA ILE A 75 5.539 11.265 5.970 1.00 0.00 H new ATOM 0 HB ILE A 75 2.760 12.461 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.899 10.872 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.831 10.347 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.561 10.786 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.907 11.912 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.238 10.269 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.173 8.483 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.584 8.833 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.668 9.366 6.713 1.00 0.00 H new ATOM 1149 N ASN A 76 4.444 14.336 5.331 1.00 0.00 N ATOM 1150 CA ASN A 76 4.753 15.563 4.605 1.00 0.00 C ATOM 1151 C ASN A 76 5.403 15.251 3.261 1.00 0.00 C ATOM 1152 O ASN A 76 6.297 15.968 2.811 1.00 0.00 O ATOM 1153 CB ASN A 76 5.677 16.454 5.437 1.00 0.00 C ATOM 1154 CG ASN A 76 5.471 16.268 6.928 1.00 0.00 C ATOM 1155 OD1 ASN A 76 6.427 16.269 7.703 1.00 0.00 O ATOM 1156 ND2 ASN A 76 4.217 16.107 7.336 1.00 0.00 N ATOM 0 H ASN A 76 3.562 14.359 5.843 1.00 0.00 H new ATOM 0 HA ASN A 76 3.818 16.092 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.714 16.232 5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.502 17.498 5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.016 15.977 8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.455 16.113 6.658 1.00 0.00 H new ATOM 1163 N ALA A 77 4.949 14.176 2.624 1.00 0.00 N ATOM 1164 CA ALA A 77 5.484 13.770 1.331 1.00 0.00 C ATOM 1165 C ALA A 77 4.722 12.574 0.772 1.00 0.00 C ATOM 1166 O ALA A 77 4.534 11.569 1.459 1.00 0.00 O ATOM 1167 CB ALA A 77 6.966 13.445 1.452 1.00 0.00 C ATOM 0 H ALA A 77 4.211 13.570 2.984 1.00 0.00 H new ATOM 0 HA ALA A 77 5.361 14.602 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.353 13.143 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.505 14.327 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.103 12.632 2.165 1.00 0.00 H new ATOM 1173 N LEU A 78 4.285 12.688 -0.477 1.00 0.00 N ATOM 1174 CA LEU A 78 3.542 11.615 -1.129 1.00 0.00 C ATOM 1175 C LEU A 78 3.969 11.464 -2.585 1.00 0.00 C ATOM 1176 O LEU A 78 4.372 12.424 -3.242 1.00 0.00 O ATOM 1177 CB LEU A 78 2.039 11.889 -1.051 1.00 0.00 C ATOM 1178 CG LEU A 78 1.517 12.397 0.293 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.312 13.302 0.091 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.163 11.230 1.203 1.00 0.00 C ATOM 0 H LEU A 78 4.432 13.513 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 78 3.763 10.684 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.783 12.621 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.509 10.969 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 78 2.306 12.978 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.045 13.654 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.597 14.156 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.481 12.746 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.793 11.610 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.392 10.622 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.050 10.621 1.376 1.00 0.00 H new ATOM 1192 N PRO A 79 3.876 10.231 -3.104 1.00 0.00 N ATOM 1193 CA PRO A 79 3.398 9.080 -2.332 1.00 0.00 C ATOM 1194 C PRO A 79 4.386 8.657 -1.250 1.00 0.00 C ATOM 1195 O PRO A 79 5.539 9.088 -1.245 1.00 0.00 O ATOM 1196 CB PRO A 79 3.255 7.980 -3.386 1.00 0.00 C ATOM 1197 CG PRO A 79 4.210 8.360 -4.463 1.00 0.00 C ATOM 1198 CD PRO A 79 4.232 9.864 -4.485 1.00 0.00 C ATOM 0 HA PRO A 79 2.473 9.302 -1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.495 7.001 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.234 7.924 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.203 7.958 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.892 7.960 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.214 10.247 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.518 10.266 -5.204 1.00 0.00 H new ATOM 1206 N THR A 80 3.926 7.810 -0.334 1.00 0.00 N ATOM 1207 CA THR A 80 4.769 7.330 0.753 1.00 0.00 C ATOM 1208 C THR A 80 4.203 6.053 1.365 1.00 0.00 C ATOM 1209 O THR A 80 3.065 6.030 1.833 1.00 0.00 O ATOM 1210 CB THR A 80 4.921 8.391 1.859 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.766 9.454 1.405 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.504 7.778 3.123 1.00 0.00 C ATOM 0 H THR A 80 2.974 7.443 -0.324 1.00 0.00 H new ATOM 0 HA THR A 80 5.749 7.122 0.323 1.00 0.00 H new ATOM 0 HB THR A 80 3.932 8.786 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.417 10.311 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.602 8.547 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.843 6.989 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.485 7.357 2.904 1.00 0.00 H new ATOM 1220 N ILE A 81 5.005 4.993 1.358 1.00 0.00 N ATOM 1221 CA ILE A 81 4.583 3.714 1.914 1.00 0.00 C ATOM 1222 C ILE A 81 5.323 3.407 3.212 1.00 0.00 C ATOM 1223 O ILE A 81 6.517 3.681 3.337 1.00 0.00 O ATOM 1224 CB ILE A 81 4.818 2.562 0.918 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.991 2.779 -0.350 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.473 1.227 1.561 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.580 2.117 -1.577 1.00 0.00 C ATOM 0 H ILE A 81 5.950 4.995 0.974 1.00 0.00 H new ATOM 0 HA ILE A 81 3.515 3.796 2.118 1.00 0.00 H new ATOM 0 HB ILE A 81 5.873 2.548 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.984 2.394 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.897 3.849 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.644 0.423 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.102 1.072 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.425 1.228 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.941 2.313 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.576 2.519 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.648 1.042 -1.413 1.00 0.00 H new ATOM 1239 N TYR A 82 4.607 2.837 4.174 1.00 0.00 N ATOM 1240 CA TYR A 82 5.196 2.494 5.463 1.00 0.00 C ATOM 1241 C TYR A 82 4.915 1.037 5.819 1.00 0.00 C ATOM 1242 O TYR A 82 3.795 0.550 5.656 1.00 0.00 O ATOM 1243 CB TYR A 82 4.650 3.412 6.557 1.00 0.00 C ATOM 1244 CG TYR A 82 5.478 4.659 6.770 1.00 0.00 C ATOM 1245 CD1 TYR A 82 5.263 5.799 6.004 1.00 0.00 C ATOM 1246 CD2 TYR A 82 6.476 4.698 7.736 1.00 0.00 C ATOM 1247 CE1 TYR A 82 6.018 6.940 6.195 1.00 0.00 C ATOM 1248 CE2 TYR A 82 7.235 5.835 7.934 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.002 6.953 7.161 1.00 0.00 C ATOM 1250 OH TYR A 82 7.757 8.088 7.354 1.00 0.00 O ATOM 0 H TYR A 82 3.618 2.603 4.086 1.00 0.00 H new ATOM 0 HA TYR A 82 6.275 2.630 5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.631 3.702 6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.598 2.856 7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.493 5.793 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.662 3.824 8.343 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.839 7.817 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.006 5.848 8.690 1.00 0.00 H new ATOM 0 HH TYR A 82 8.405 7.932 8.072 1.00 0.00 H new ATOM 1260 N HIS A 83 5.940 0.346 6.308 1.00 0.00 N ATOM 1261 CA HIS A 83 5.804 -1.055 6.690 1.00 0.00 C ATOM 1262 C HIS A 83 5.770 -1.204 8.208 1.00 0.00 C ATOM 1263 O HIS A 83 6.756 -0.926 8.891 1.00 0.00 O ATOM 1264 CB HIS A 83 6.957 -1.877 6.112 1.00 0.00 C ATOM 1265 CG HIS A 83 7.023 -3.275 6.645 1.00 0.00 C ATOM 1266 ND1 HIS A 83 8.037 -3.720 7.466 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.191 -4.329 6.472 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.828 -4.987 7.773 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.714 -5.381 7.183 1.00 0.00 N ATOM 0 H HIS A 83 6.873 0.733 6.449 1.00 0.00 H new ATOM 0 HA HIS A 83 4.863 -1.426 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.857 -1.915 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.897 -1.370 6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.285 -4.340 5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.461 -5.598 8.400 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.308 -6.315 7.245 1.00 0.00 H new ATOM 1278 N CYS A 84 4.629 -1.643 8.729 1.00 0.00 N ATOM 1279 CA CYS A 84 4.466 -1.827 10.167 1.00 0.00 C ATOM 1280 C CYS A 84 4.619 -3.296 10.548 1.00 0.00 C ATOM 1281 O CYS A 84 3.877 -4.153 10.068 1.00 0.00 O ATOM 1282 CB CYS A 84 3.098 -1.310 10.616 1.00 0.00 C ATOM 1283 SG CYS A 84 3.024 -0.835 12.359 1.00 0.00 S ATOM 0 H CYS A 84 3.804 -1.878 8.177 1.00 0.00 H new ATOM 0 HA CYS A 84 5.245 -1.257 10.672 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.828 -0.449 10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.351 -2.081 10.429 1.00 0.00 H new ATOM 0 HG CYS A 84 3.177 0.452 12.465 1.00 0.00 H new ATOM 1289 N LYS A 85 5.587 -3.580 11.411 1.00 0.00 N ATOM 1290 CA LYS A 85 5.839 -4.945 11.857 1.00 0.00 C ATOM 1291 C LYS A 85 5.863 -5.024 13.381 1.00 0.00 C ATOM 1292 O LYS A 85 6.801 -4.549 14.022 1.00 0.00 O ATOM 1293 CB LYS A 85 7.167 -5.452 11.289 1.00 0.00 C ATOM 1294 CG LYS A 85 7.470 -6.896 11.648 1.00 0.00 C ATOM 1295 CD LYS A 85 8.965 -7.137 11.778 1.00 0.00 C ATOM 1296 CE LYS A 85 9.284 -8.620 11.880 1.00 0.00 C ATOM 1297 NZ LYS A 85 10.500 -8.871 12.701 1.00 0.00 N ATOM 0 H LYS A 85 6.211 -2.882 11.816 1.00 0.00 H new ATOM 0 HA LYS A 85 5.029 -5.576 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.150 -5.352 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.975 -4.818 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.977 -7.150 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.059 -7.556 10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.479 -6.712 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.342 -6.621 12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.435 -9.145 12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.430 -9.030 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.792 -9.864 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.269 -8.248 12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.290 -8.677 13.701 1.00 0.00 H new ATOM 1311 N ASP A 86 4.828 -5.627 13.953 1.00 0.00 N ATOM 1312 CA ASP A 86 4.731 -5.770 15.401 1.00 0.00 C ATOM 1313 C ASP A 86 4.941 -4.428 16.096 1.00 0.00 C ATOM 1314 O ASP A 86 5.569 -4.355 17.151 1.00 0.00 O ATOM 1315 CB ASP A 86 5.760 -6.785 15.904 1.00 0.00 C ATOM 1316 CG ASP A 86 5.329 -8.217 15.656 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.118 -8.500 15.770 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.203 -9.055 15.349 1.00 0.00 O ATOM 0 H ASP A 86 4.044 -6.025 13.436 1.00 0.00 H new ATOM 0 HA ASP A 86 3.730 -6.129 15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.715 -6.605 15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.921 -6.637 16.972 1.00 0.00 H new ATOM 1323 N GLY A 87 4.411 -3.367 15.494 1.00 0.00 N ATOM 1324 CA GLY A 87 4.552 -2.042 16.068 1.00 0.00 C ATOM 1325 C GLY A 87 5.594 -1.207 15.350 1.00 0.00 C ATOM 1326 O GLY A 87 5.343 -0.052 15.007 1.00 0.00 O ATOM 0 H GLY A 87 3.887 -3.402 14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.591 -1.529 16.031 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.825 -2.132 17.120 1.00 0.00 H new ATOM 1330 N GLU A 88 6.766 -1.792 15.123 1.00 0.00 N ATOM 1331 CA GLU A 88 7.849 -1.092 14.443 1.00 0.00 C ATOM 1332 C GLU A 88 7.415 -0.638 13.053 1.00 0.00 C ATOM 1333 O GLU A 88 6.532 -1.237 12.439 1.00 0.00 O ATOM 1334 CB GLU A 88 9.081 -1.994 14.336 1.00 0.00 C ATOM 1335 CG GLU A 88 9.136 -2.797 13.048 1.00 0.00 C ATOM 1336 CD GLU A 88 10.208 -3.870 13.075 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.992 -3.899 14.047 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.263 -4.678 12.125 1.00 0.00 O ATOM 0 H GLU A 88 6.989 -2.748 15.400 1.00 0.00 H new ATOM 0 HA GLU A 88 8.103 -0.210 15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.978 -1.380 14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.094 -2.680 15.183 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.166 -3.262 12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.323 -2.123 12.212 1.00 0.00 H new ATOM 1345 N PHE A 89 8.043 0.426 12.561 1.00 0.00 N ATOM 1346 CA PHE A 89 7.722 0.962 11.244 1.00 0.00 C ATOM 1347 C PHE A 89 8.970 1.045 10.371 1.00 0.00 C ATOM 1348 O PHE A 89 10.092 0.906 10.859 1.00 0.00 O ATOM 1349 CB PHE A 89 7.085 2.347 11.375 1.00 0.00 C ATOM 1350 CG PHE A 89 5.621 2.305 11.710 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.672 2.179 10.708 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.195 2.392 13.025 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.324 2.139 11.012 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.849 2.353 13.335 1.00 0.00 C ATOM 1355 CZ PHE A 89 2.912 2.228 12.328 1.00 0.00 C ATOM 0 H PHE A 89 8.777 0.933 13.055 1.00 0.00 H new ATOM 0 HA PHE A 89 7.012 0.286 10.768 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.610 2.908 12.148 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.220 2.890 10.440 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.989 2.111 9.678 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.923 2.491 13.817 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.594 2.038 10.222 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.530 2.420 14.365 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.860 2.200 12.569 1.00 0.00 H new ATOM 1365 N ARG A 90 8.766 1.271 9.077 1.00 0.00 N ATOM 1366 CA ARG A 90 9.875 1.370 8.135 1.00 0.00 C ATOM 1367 C ARG A 90 9.446 2.102 6.867 1.00 0.00 C ATOM 1368 O ARG A 90 8.408 1.794 6.282 1.00 0.00 O ATOM 1369 CB ARG A 90 10.397 -0.024 7.781 1.00 0.00 C ATOM 1370 CG ARG A 90 11.509 -0.509 8.697 1.00 0.00 C ATOM 1371 CD ARG A 90 12.134 -1.795 8.181 1.00 0.00 C ATOM 1372 NE ARG A 90 13.273 -2.214 8.993 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.157 -2.727 10.213 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.959 -2.885 10.758 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.241 -3.085 10.889 1.00 0.00 N ATOM 0 H ARG A 90 7.844 1.389 8.657 1.00 0.00 H new ATOM 0 HA ARG A 90 10.674 1.939 8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.570 -0.733 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.761 -0.016 6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.275 0.262 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.111 -0.673 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.383 -2.585 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.457 -1.653 7.150 1.00 0.00 H new ATOM 0 HE ARG A 90 14.209 -2.107 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.123 -2.612 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.873 -3.279 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.164 -2.966 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.151 -3.479 11.826 1.00 0.00 H new ATOM 1389 N ARG A 91 10.253 3.072 6.448 1.00 0.00 N ATOM 1390 CA ARG A 91 9.956 3.849 5.251 1.00 0.00 C ATOM 1391 C ARG A 91 10.305 3.061 3.992 1.00 0.00 C ATOM 1392 O ARG A 91 11.436 2.603 3.827 1.00 0.00 O ATOM 1393 CB ARG A 91 10.729 5.169 5.269 1.00 0.00 C ATOM 1394 CG ARG A 91 10.515 6.018 4.027 1.00 0.00 C ATOM 1395 CD ARG A 91 10.772 7.490 4.307 1.00 0.00 C ATOM 1396 NE ARG A 91 12.199 7.793 4.374 1.00 0.00 N ATOM 1397 CZ ARG A 91 13.019 7.705 3.332 1.00 0.00 C ATOM 1398 NH1 ARG A 91 12.554 7.327 2.149 1.00 0.00 N ATOM 1399 NH2 ARG A 91 14.305 7.998 3.472 1.00 0.00 N ATOM 0 H ARG A 91 11.117 3.338 6.920 1.00 0.00 H new ATOM 0 HA ARG A 91 8.887 4.062 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.431 5.743 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.793 4.956 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.179 5.676 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.494 5.888 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.309 8.094 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.298 7.768 5.248 1.00 0.00 H new ATOM 0 HE ARG A 91 12.588 8.088 5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.565 7.103 2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.185 7.260 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.665 8.291 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.934 7.930 2.672 1.00 0.00 H new ATOM 1413 N TYR A 92 9.326 2.907 3.107 1.00 0.00 N ATOM 1414 CA TYR A 92 9.528 2.172 1.864 1.00 0.00 C ATOM 1415 C TYR A 92 10.471 2.926 0.932 1.00 0.00 C ATOM 1416 O TYR A 92 10.312 4.126 0.710 1.00 0.00 O ATOM 1417 CB TYR A 92 8.188 1.931 1.166 1.00 0.00 C ATOM 1418 CG TYR A 92 8.251 0.879 0.081 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.601 1.216 -1.220 1.00 0.00 C ATOM 1420 CD2 TYR A 92 7.959 -0.451 0.358 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.659 0.259 -2.215 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.016 -1.415 -0.630 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.367 -1.055 -1.915 1.00 0.00 C ATOM 1424 OH TYR A 92 8.423 -2.012 -2.902 1.00 0.00 O ATOM 0 H TYR A 92 8.385 3.281 3.227 1.00 0.00 H new ATOM 0 HA TYR A 92 9.981 1.211 2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.450 1.631 1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.840 2.868 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.832 2.244 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.683 -0.736 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.931 0.538 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.787 -2.445 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 92 7.545 -2.436 -2.996 1.00 0.00 H new ATOM 1434 N GLN A 93 11.452 2.213 0.389 1.00 0.00 N ATOM 1435 CA GLN A 93 12.422 2.814 -0.519 1.00 0.00 C ATOM 1436 C GLN A 93 12.567 1.983 -1.789 1.00 0.00 C ATOM 1437 O GLN A 93 13.581 1.319 -1.996 1.00 0.00 O ATOM 1438 CB GLN A 93 13.780 2.954 0.171 1.00 0.00 C ATOM 1439 CG GLN A 93 13.831 4.080 1.191 1.00 0.00 C ATOM 1440 CD GLN A 93 15.164 4.157 1.910 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.165 3.611 1.444 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.184 4.836 3.050 1.00 0.00 N ATOM 0 H GLN A 93 11.596 1.218 0.562 1.00 0.00 H new ATOM 0 HA GLN A 93 12.059 3.804 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.025 2.015 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.546 3.125 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.638 5.028 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.036 3.939 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.331 5.272 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.053 4.922 3.577 1.00 0.00 H new ATOM 1451 N GLY A 94 11.544 2.024 -2.637 1.00 0.00 N ATOM 1452 CA GLY A 94 11.577 1.270 -3.877 1.00 0.00 C ATOM 1453 C GLY A 94 10.762 1.924 -4.975 1.00 0.00 C ATOM 1454 O GLY A 94 10.165 2.983 -4.788 1.00 0.00 O ATOM 0 H GLY A 94 10.693 2.566 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.610 1.166 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.198 0.264 -3.697 1.00 0.00 H new ATOM 1458 N PRO A 95 10.733 1.286 -6.155 1.00 0.00 N ATOM 1459 CA PRO A 95 9.991 1.795 -7.312 1.00 0.00 C ATOM 1460 C PRO A 95 8.481 1.707 -7.116 1.00 0.00 C ATOM 1461 O PRO A 95 7.710 2.240 -7.914 1.00 0.00 O ATOM 1462 CB PRO A 95 10.437 0.875 -8.452 1.00 0.00 C ATOM 1463 CG PRO A 95 10.850 -0.388 -7.780 1.00 0.00 C ATOM 1464 CD PRO A 95 11.423 0.018 -6.450 1.00 0.00 C ATOM 0 HA PRO A 95 10.193 2.851 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.627 0.700 -9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.262 1.313 -9.014 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.999 -1.057 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.589 -0.924 -8.376 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.230 -0.732 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.504 0.151 -6.501 1.00 0.00 H new ATOM 1472 N ARG A 96 8.066 1.031 -6.050 1.00 0.00 N ATOM 1473 CA ARG A 96 6.648 0.873 -5.750 1.00 0.00 C ATOM 1474 C ARG A 96 5.944 0.087 -6.851 1.00 0.00 C ATOM 1475 O ARG A 96 4.846 0.444 -7.281 1.00 0.00 O ATOM 1476 CB ARG A 96 5.985 2.242 -5.582 1.00 0.00 C ATOM 1477 CG ARG A 96 6.514 3.034 -4.397 1.00 0.00 C ATOM 1478 CD ARG A 96 5.665 4.267 -4.128 1.00 0.00 C ATOM 1479 NE ARG A 96 6.136 5.011 -2.963 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.217 5.782 -2.971 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.935 5.911 -4.078 1.00 0.00 N ATOM 1482 NH2 ARG A 96 7.581 6.428 -1.871 1.00 0.00 N ATOM 0 H ARG A 96 8.691 0.584 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 96 6.559 0.317 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.135 2.823 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.910 2.104 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.527 2.400 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.544 3.335 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.681 4.916 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.629 3.967 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 96 5.605 4.934 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.657 5.417 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.765 6.504 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.030 6.333 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.412 7.020 -1.878 1.00 0.00 H new ATOM 1496 N THR A 97 6.582 -0.987 -7.306 1.00 0.00 N ATOM 1497 CA THR A 97 6.019 -1.824 -8.358 1.00 0.00 C ATOM 1498 C THR A 97 5.567 -3.171 -7.807 1.00 0.00 C ATOM 1499 O THR A 97 6.222 -3.750 -6.939 1.00 0.00 O ATOM 1500 CB THR A 97 7.034 -2.060 -9.492 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.230 -2.646 -8.965 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.371 -0.755 -10.197 1.00 0.00 C ATOM 0 H THR A 97 7.490 -1.298 -6.962 1.00 0.00 H new ATOM 0 HA THR A 97 5.156 -1.291 -8.758 1.00 0.00 H new ATOM 0 HB THR A 97 6.585 -2.740 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.975 -2.477 -9.579 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.090 -0.947 -10.994 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.464 -0.326 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.802 -0.055 -9.481 1.00 0.00 H new ATOM 1510 N LYS A 98 4.444 -3.667 -8.315 1.00 0.00 N ATOM 1511 CA LYS A 98 3.905 -4.948 -7.875 1.00 0.00 C ATOM 1512 C LYS A 98 5.027 -5.938 -7.578 1.00 0.00 C ATOM 1513 O LYS A 98 5.153 -6.431 -6.457 1.00 0.00 O ATOM 1514 CB LYS A 98 2.971 -5.525 -8.942 1.00 0.00 C ATOM 1515 CG LYS A 98 2.139 -6.697 -8.452 1.00 0.00 C ATOM 1516 CD LYS A 98 1.475 -7.430 -9.606 1.00 0.00 C ATOM 1517 CE LYS A 98 2.318 -8.603 -10.081 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.865 -9.111 -11.405 1.00 0.00 N ATOM 0 H LYS A 98 3.889 -3.201 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 98 3.340 -4.780 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.304 -4.738 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.565 -5.845 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.774 -7.388 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.377 -6.339 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.494 -7.788 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.314 -6.738 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.362 -8.297 -10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.268 -9.407 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.465 -9.910 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.877 -9.427 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.937 -8.351 -12.111 1.00 0.00 H new ATOM 1532 N LYS A 99 5.841 -6.223 -8.589 1.00 0.00 N ATOM 1533 CA LYS A 99 6.955 -7.151 -8.436 1.00 0.00 C ATOM 1534 C LYS A 99 7.795 -6.797 -7.213 1.00 0.00 C ATOM 1535 O LYS A 99 7.858 -7.561 -6.249 1.00 0.00 O ATOM 1536 CB LYS A 99 7.832 -7.139 -9.690 1.00 0.00 C ATOM 1537 CG LYS A 99 9.104 -7.956 -9.551 1.00 0.00 C ATOM 1538 CD LYS A 99 10.215 -7.414 -10.435 1.00 0.00 C ATOM 1539 CE LYS A 99 11.017 -6.335 -9.724 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.090 -5.778 -10.594 1.00 0.00 N ATOM 0 H LYS A 99 5.750 -5.824 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 99 6.545 -8.151 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.254 -7.523 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.096 -6.109 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.430 -7.949 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.901 -8.994 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.878 -8.228 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.787 -7.006 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.349 -5.532 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.462 -6.750 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.614 -5.046 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.742 -6.539 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.664 -5.360 -11.446 1.00 0.00 H new ATOM 1554 N ASP A 100 8.436 -5.634 -7.258 1.00 0.00 N ATOM 1555 CA ASP A 100 9.270 -5.178 -6.152 1.00 0.00 C ATOM 1556 C ASP A 100 8.625 -5.513 -4.811 1.00 0.00 C ATOM 1557 O ASP A 100 9.206 -6.225 -3.991 1.00 0.00 O ATOM 1558 CB ASP A 100 9.509 -3.671 -6.254 1.00 0.00 C ATOM 1559 CG ASP A 100 10.667 -3.329 -7.172 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.554 -3.582 -8.390 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.686 -2.809 -6.672 1.00 0.00 O ATOM 0 H ASP A 100 8.394 -4.990 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 100 10.227 -5.695 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.604 -3.186 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.706 -3.269 -5.260 1.00 0.00 H new ATOM 1566 N PHE A 101 7.421 -4.994 -4.593 1.00 0.00 N ATOM 1567 CA PHE A 101 6.698 -5.236 -3.350 1.00 0.00 C ATOM 1568 C PHE A 101 6.936 -6.658 -2.850 1.00 0.00 C ATOM 1569 O PHE A 101 7.511 -6.863 -1.781 1.00 0.00 O ATOM 1570 CB PHE A 101 5.199 -5.000 -3.553 1.00 0.00 C ATOM 1571 CG PHE A 101 4.818 -3.547 -3.558 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.082 -2.743 -2.461 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.195 -2.985 -4.661 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.731 -1.407 -2.463 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.842 -1.649 -4.670 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.111 -0.858 -3.569 1.00 0.00 C ATOM 0 H PHE A 101 6.926 -4.403 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 101 7.071 -4.538 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.892 -5.451 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.648 -5.509 -2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.568 -3.166 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.983 -3.599 -5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.941 -0.792 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.357 -1.224 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.837 0.187 -3.573 1.00 0.00 H new ATOM 1586 N ILE A 102 6.490 -7.636 -3.632 1.00 0.00 N ATOM 1587 CA ILE A 102 6.656 -9.038 -3.269 1.00 0.00 C ATOM 1588 C ILE A 102 7.945 -9.255 -2.484 1.00 0.00 C ATOM 1589 O ILE A 102 7.916 -9.669 -1.326 1.00 0.00 O ATOM 1590 CB ILE A 102 6.668 -9.944 -4.515 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.261 -10.053 -5.107 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.209 -11.322 -4.163 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.992 -9.058 -6.213 1.00 0.00 C ATOM 0 H ILE A 102 6.012 -7.483 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 102 5.804 -9.305 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 102 7.323 -9.499 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.115 -11.062 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.529 -9.907 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.211 -11.950 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.226 -11.227 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.578 -11.777 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.976 -9.193 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.105 -8.045 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.700 -9.217 -7.026 1.00 0.00 H new ATOM 1605 N ASN A 103 9.075 -8.970 -3.123 1.00 0.00 N ATOM 1606 CA ASN A 103 10.376 -9.133 -2.484 1.00 0.00 C ATOM 1607 C ASN A 103 10.418 -8.406 -1.143 1.00 0.00 C ATOM 1608 O ASN A 103 10.853 -8.963 -0.136 1.00 0.00 O ATOM 1609 CB ASN A 103 11.485 -8.607 -3.397 1.00 0.00 C ATOM 1610 CG ASN A 103 11.319 -9.067 -4.833 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.808 -10.129 -5.217 1.00 0.00 O ATOM 1612 ND2 ASN A 103 10.624 -8.266 -5.633 1.00 0.00 N ATOM 0 H ASN A 103 9.116 -8.625 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 103 10.535 -10.196 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.491 -7.517 -3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.451 -8.942 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.478 -8.522 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.237 -7.395 -5.271 1.00 0.00 H new ATOM 1619 N PHE A 104 9.962 -7.158 -1.139 1.00 0.00 N ATOM 1620 CA PHE A 104 9.947 -6.353 0.077 1.00 0.00 C ATOM 1621 C PHE A 104 9.274 -7.107 1.220 1.00 0.00 C ATOM 1622 O PHE A 104 9.553 -6.856 2.393 1.00 0.00 O ATOM 1623 CB PHE A 104 9.223 -5.028 -0.171 1.00 0.00 C ATOM 1624 CG PHE A 104 9.162 -4.142 1.041 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.316 -3.586 1.567 1.00 0.00 C ATOM 1626 CD2 PHE A 104 7.950 -3.867 1.653 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.263 -2.770 2.682 1.00 0.00 C ATOM 1628 CE2 PHE A 104 7.891 -3.052 2.768 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.049 -2.504 3.283 1.00 0.00 C ATOM 0 H PHE A 104 9.598 -6.682 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 104 10.980 -6.147 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.726 -4.494 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.208 -5.236 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.268 -3.792 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.041 -4.294 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.170 -2.341 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.940 -2.844 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.005 -1.868 4.155 1.00 0.00 H new ATOM 1639 N ILE A 105 8.386 -8.031 0.869 1.00 0.00 N ATOM 1640 CA ILE A 105 7.673 -8.822 1.865 1.00 0.00 C ATOM 1641 C ILE A 105 8.353 -10.169 2.087 1.00 0.00 C ATOM 1642 O ILE A 105 8.813 -10.470 3.188 1.00 0.00 O ATOM 1643 CB ILE A 105 6.209 -9.061 1.451 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.493 -7.726 1.236 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.490 -9.891 2.504 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.359 -6.902 2.497 1.00 0.00 C ATOM 0 H ILE A 105 8.143 -8.250 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 105 7.691 -8.251 2.793 1.00 0.00 H new ATOM 0 HB ILE A 105 6.197 -9.613 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.037 -7.147 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.500 -7.917 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.456 -10.052 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.990 -10.853 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.508 -9.363 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.842 -5.970 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.789 -7.462 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.350 -6.680 2.893 1.00 0.00 H new ATOM 1658 N SER A 106 8.415 -10.975 1.032 1.00 0.00 N ATOM 1659 CA SER A 106 9.038 -12.291 1.112 1.00 0.00 C ATOM 1660 C SER A 106 10.502 -12.176 1.525 1.00 0.00 C ATOM 1661 O SER A 106 10.941 -12.815 2.481 1.00 0.00 O ATOM 1662 CB SER A 106 8.932 -13.011 -0.234 1.00 0.00 C ATOM 1663 OG SER A 106 9.553 -14.284 -0.182 1.00 0.00 O ATOM 0 H SER A 106 8.042 -10.740 0.112 1.00 0.00 H new ATOM 0 HA SER A 106 8.509 -12.870 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.883 -13.126 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.399 -12.406 -1.011 1.00 0.00 H new ATOM 0 HG SER A 106 9.470 -14.724 -1.054 1.00 0.00 H new ATOM 1669 N ASP A 107 11.252 -11.355 0.798 1.00 0.00 N ATOM 1670 CA ASP A 107 12.667 -11.154 1.089 1.00 0.00 C ATOM 1671 C ASP A 107 12.850 -10.175 2.245 1.00 0.00 C ATOM 1672 O ASP A 107 13.963 -9.730 2.525 1.00 0.00 O ATOM 1673 CB ASP A 107 13.396 -10.638 -0.153 1.00 0.00 C ATOM 1674 CG ASP A 107 13.613 -11.722 -1.189 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.776 -12.647 -1.265 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.618 -11.646 -1.926 1.00 0.00 O ATOM 0 H ASP A 107 10.904 -10.818 0.003 1.00 0.00 H new ATOM 0 HA ASP A 107 13.094 -12.114 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.821 -9.825 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.360 -10.223 0.141 1.00 0.00 H new ATOM 1681 N LYS A 108 11.750 -9.843 2.913 1.00 0.00 N ATOM 1682 CA LYS A 108 11.788 -8.918 4.039 1.00 0.00 C ATOM 1683 C LYS A 108 12.857 -7.850 3.829 1.00 0.00 C ATOM 1684 O LYS A 108 13.560 -7.472 4.765 1.00 0.00 O ATOM 1685 CB LYS A 108 12.058 -9.677 5.340 1.00 0.00 C ATOM 1686 CG LYS A 108 11.095 -10.825 5.586 1.00 0.00 C ATOM 1687 CD LYS A 108 11.750 -11.943 6.379 1.00 0.00 C ATOM 1688 CE LYS A 108 10.894 -13.199 6.384 1.00 0.00 C ATOM 1689 NZ LYS A 108 11.604 -14.353 7.001 1.00 0.00 N ATOM 0 H LYS A 108 10.821 -10.201 2.693 1.00 0.00 H new ATOM 0 HA LYS A 108 10.817 -8.427 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.076 -10.066 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.000 -8.980 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.221 -10.459 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.740 -11.214 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.727 -12.169 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.919 -11.613 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.971 -13.007 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.613 -13.451 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.986 -15.190 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.472 -14.553 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.850 -14.123 7.985 1.00 0.00 H new ATOM 1703 N GLU A 109 12.971 -7.367 2.596 1.00 0.00 N ATOM 1704 CA GLU A 109 13.954 -6.341 2.266 1.00 0.00 C ATOM 1705 C GLU A 109 13.914 -5.203 3.281 1.00 0.00 C ATOM 1706 O GLU A 109 14.915 -4.522 3.506 1.00 0.00 O ATOM 1707 CB GLU A 109 13.700 -5.794 0.860 1.00 0.00 C ATOM 1708 CG GLU A 109 13.745 -6.858 -0.224 1.00 0.00 C ATOM 1709 CD GLU A 109 13.789 -6.267 -1.620 1.00 0.00 C ATOM 1710 OE1 GLU A 109 12.710 -5.945 -2.162 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.901 -6.126 -2.171 1.00 0.00 O ATOM 0 H GLU A 109 12.396 -7.669 1.810 1.00 0.00 H new ATOM 0 HA GLU A 109 14.943 -6.798 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.725 -5.307 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.443 -5.029 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.621 -7.489 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.870 -7.501 -0.133 1.00 0.00 H new ATOM 1718 N TRP A 110 12.751 -5.002 3.891 1.00 0.00 N ATOM 1719 CA TRP A 110 12.581 -3.946 4.882 1.00 0.00 C ATOM 1720 C TRP A 110 13.689 -3.996 5.927 1.00 0.00 C ATOM 1721 O TRP A 110 14.089 -2.967 6.473 1.00 0.00 O ATOM 1722 CB TRP A 110 11.216 -4.071 5.561 1.00 0.00 C ATOM 1723 CG TRP A 110 10.954 -5.438 6.119 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.278 -6.456 5.509 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.361 -5.933 7.399 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.241 -7.555 6.333 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.899 -7.260 7.498 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.072 -5.387 8.470 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.125 -8.045 8.626 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.296 -6.166 9.589 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.824 -7.484 9.660 1.00 0.00 C ATOM 0 H TRP A 110 11.913 -5.556 3.717 1.00 0.00 H new ATOM 0 HA TRP A 110 12.637 -2.987 4.367 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.150 -3.339 6.366 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.436 -3.824 4.841 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.838 -6.405 4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.796 -8.446 6.113 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.441 -4.373 8.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.761 -9.060 8.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.844 -5.753 10.423 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.016 -8.068 10.548 1.00 0.00 H new ATOM 1742 N LYS A 111 14.183 -5.198 6.203 1.00 0.00 N ATOM 1743 CA LYS A 111 15.248 -5.383 7.182 1.00 0.00 C ATOM 1744 C LYS A 111 16.440 -4.485 6.866 1.00 0.00 C ATOM 1745 O LYS A 111 17.086 -3.954 7.769 1.00 0.00 O ATOM 1746 CB LYS A 111 15.693 -6.847 7.212 1.00 0.00 C ATOM 1747 CG LYS A 111 14.802 -7.735 8.063 1.00 0.00 C ATOM 1748 CD LYS A 111 15.368 -9.141 8.182 1.00 0.00 C ATOM 1749 CE LYS A 111 14.293 -10.142 8.575 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.733 -11.547 8.347 1.00 0.00 N ATOM 0 H LYS A 111 13.862 -6.060 5.762 1.00 0.00 H new ATOM 0 HA LYS A 111 14.858 -5.108 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.711 -7.234 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.714 -6.900 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.695 -7.299 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.805 -7.779 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.813 -9.437 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.166 -9.152 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.038 -10.007 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.388 -9.947 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.972 -12.199 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.952 -11.683 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.582 -11.741 8.915 1.00 0.00 H new ATOM 1764 N SER A 112 16.724 -4.318 5.578 1.00 0.00 N ATOM 1765 CA SER A 112 17.840 -3.486 5.143 1.00 0.00 C ATOM 1766 C SER A 112 17.581 -2.018 5.468 1.00 0.00 C ATOM 1767 O SER A 112 18.516 -1.239 5.658 1.00 0.00 O ATOM 1768 CB SER A 112 18.075 -3.654 3.641 1.00 0.00 C ATOM 1769 OG SER A 112 18.544 -4.957 3.341 1.00 0.00 O ATOM 0 H SER A 112 16.197 -4.748 4.818 1.00 0.00 H new ATOM 0 HA SER A 112 18.732 -3.808 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.147 -3.465 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.800 -2.915 3.298 1.00 0.00 H new ATOM 0 HG SER A 112 18.685 -5.040 2.375 1.00 0.00 H new ATOM 1775 N ILE A 113 16.306 -1.647 5.528 1.00 0.00 N ATOM 1776 CA ILE A 113 15.924 -0.274 5.829 1.00 0.00 C ATOM 1777 C ILE A 113 15.889 -0.031 7.334 1.00 0.00 C ATOM 1778 O ILE A 113 15.326 -0.824 8.088 1.00 0.00 O ATOM 1779 CB ILE A 113 14.546 0.071 5.233 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.557 -0.133 3.717 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.163 1.502 5.578 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.176 -0.258 3.114 1.00 0.00 C ATOM 0 H ILE A 113 15.521 -2.279 5.372 1.00 0.00 H new ATOM 0 HA ILE A 113 16.678 0.370 5.376 1.00 0.00 H new ATOM 0 HB ILE A 113 13.801 -0.597 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.074 0.705 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.129 -1.031 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.187 1.731 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.120 1.616 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.907 2.186 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.261 -0.400 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.663 -1.113 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.607 0.650 3.316 1.00 0.00 H new