USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 HIS : no HD1:sc= -1.99 X(o=-5.7,f=-6) USER MOD Set 1.2: A 130 ASN : amide:sc= -3.69 K(o=-5.7,f=-13!) USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -1.2 USER MOD Set 2.2: A 70 SER OG : rot 92:sc= 0.205 USER MOD Set 2.3: A 81 THR OG1 : rot 180:sc= 0.198 USER MOD Set 3.1: A 27 SER OG : rot 2:sc= 0.566 USER MOD Set 3.2: A 37 ASN : amide:sc= -0.272 K(o=0.29,f=-11!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 0.0558 (180deg=0.00374) USER MOD Single : A 14 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 25 SER OG : rot 160:sc= -1.17 USER MOD Single : A 26 THR OG1 : rot -99:sc= 1.05 USER MOD Single : A 35 MET CE :methyl -109:sc= -0.488 (180deg=-4.01!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.151 K(o=0.15,f=-4.6!) USER MOD Single : A 46 HIS : no HE2:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -73:sc= 0.971 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -6:sc= -0.702! USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=0.87) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -101:sc= 1.73 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.158 K(o=0.16,f=-0.68) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 99:sc= 0.636 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 97 HIS : no HE2:sc= -1.99 X(o=-2,f=-2.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -166:sc= 0 (180deg=-0.127) USER MOD Single : A 135 GLN : amide:sc=-0.00545 X(o=-0.0055,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.032 8.534 -7.171 1.00 0.00 N ATOM 102 CA ILE A 7 -2.352 8.604 -5.755 1.00 0.00 C ATOM 103 C ILE A 7 -1.073 8.414 -4.937 1.00 0.00 C ATOM 104 O ILE A 7 -0.979 7.488 -4.132 1.00 0.00 O ATOM 105 CB ILE A 7 -3.459 7.608 -5.406 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.790 8.022 -6.039 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.577 7.427 -3.892 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.829 6.908 -5.909 1.00 0.00 C ATOM 0 HA ILE A 7 -2.749 9.587 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.190 6.639 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.160 8.927 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.637 8.261 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.371 6.714 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.633 7.053 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.811 8.385 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.765 7.228 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.467 6.012 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.997 6.689 -4.855 1.00 0.00 H new ATOM 120 N LYS A 8 -0.121 9.304 -5.171 1.00 0.00 N ATOM 121 CA LYS A 8 1.148 9.246 -4.466 1.00 0.00 C ATOM 122 C LYS A 8 1.013 9.964 -3.122 1.00 0.00 C ATOM 123 O LYS A 8 0.718 11.157 -3.078 1.00 0.00 O ATOM 124 CB LYS A 8 2.275 9.793 -5.345 1.00 0.00 C ATOM 125 CG LYS A 8 3.571 9.942 -4.545 1.00 0.00 C ATOM 126 CD LYS A 8 4.707 10.454 -5.433 1.00 0.00 C ATOM 127 CE LYS A 8 4.850 11.973 -5.319 1.00 0.00 C ATOM 128 NZ LYS A 8 4.869 12.593 -6.663 1.00 0.00 N ATOM 0 H LYS A 8 -0.203 10.070 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 8 1.417 8.212 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.440 9.124 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.984 10.760 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.414 10.632 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.848 8.981 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.643 9.974 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.514 10.180 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.024 12.379 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.768 12.219 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.967 13.624 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.672 12.218 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.982 12.373 -7.159 1.00 0.00 H new ATOM 142 N LYS A 9 1.236 9.206 -2.058 1.00 0.00 N ATOM 143 CA LYS A 9 1.143 9.755 -0.716 1.00 0.00 C ATOM 144 C LYS A 9 2.413 9.407 0.062 1.00 0.00 C ATOM 145 O LYS A 9 3.158 8.509 -0.328 1.00 0.00 O ATOM 146 CB LYS A 9 -0.144 9.286 -0.033 1.00 0.00 C ATOM 147 CG LYS A 9 -1.377 9.730 -0.823 1.00 0.00 C ATOM 148 CD LYS A 9 -2.057 10.924 -0.151 1.00 0.00 C ATOM 149 CE LYS A 9 -3.344 11.307 -0.885 1.00 0.00 C ATOM 150 NZ LYS A 9 -4.181 12.188 -0.040 1.00 0.00 N ATOM 0 H LYS A 9 1.481 8.217 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 9 1.079 10.842 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.137 8.200 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.191 9.689 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.086 9.997 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.081 8.902 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.285 10.681 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.375 11.775 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.100 11.814 -1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.902 10.408 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.169 12.140 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.123 11.876 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.840 13.168 -0.115 1.00 0.00 H new ATOM 164 N GLU A 10 2.622 10.136 1.149 1.00 0.00 N ATOM 165 CA GLU A 10 3.790 9.915 1.985 1.00 0.00 C ATOM 166 C GLU A 10 3.430 10.107 3.460 1.00 0.00 C ATOM 167 O GLU A 10 2.700 11.033 3.809 1.00 0.00 O ATOM 168 CB GLU A 10 4.939 10.839 1.576 1.00 0.00 C ATOM 169 CG GLU A 10 6.228 10.470 2.314 1.00 0.00 C ATOM 170 CD GLU A 10 6.616 11.558 3.317 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.588 12.740 2.911 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.931 11.184 4.467 1.00 0.00 O ATOM 0 H GLU A 10 2.002 10.880 1.470 1.00 0.00 H new ATOM 0 HA GLU A 10 4.126 8.888 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.100 10.771 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.674 11.874 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.095 9.522 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.035 10.328 1.595 1.00 0.00 H new ATOM 179 N VAL A 11 3.960 9.216 4.285 1.00 0.00 N ATOM 180 CA VAL A 11 3.704 9.275 5.714 1.00 0.00 C ATOM 181 C VAL A 11 5.016 9.063 6.472 1.00 0.00 C ATOM 182 O VAL A 11 5.954 8.469 5.943 1.00 0.00 O ATOM 183 CB VAL A 11 2.623 8.262 6.095 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.283 8.621 5.449 1.00 0.00 C ATOM 185 CG2 VAL A 11 3.049 6.840 5.722 1.00 0.00 C ATOM 0 H VAL A 11 4.565 8.449 3.991 1.00 0.00 H new ATOM 0 HA VAL A 11 3.322 10.257 5.993 1.00 0.00 H new ATOM 0 HB VAL A 11 2.494 8.300 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.532 7.885 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.970 9.609 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.391 8.625 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.263 6.139 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.220 6.781 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.968 6.585 6.250 1.00 0.00 H new ATOM 195 N ARG A 12 5.040 9.560 7.700 1.00 0.00 N ATOM 196 CA ARG A 12 6.222 9.432 8.536 1.00 0.00 C ATOM 197 C ARG A 12 5.845 8.860 9.904 1.00 0.00 C ATOM 198 O ARG A 12 5.027 9.438 10.619 1.00 0.00 O ATOM 199 CB ARG A 12 6.909 10.785 8.729 1.00 0.00 C ATOM 200 CG ARG A 12 8.169 10.643 9.585 1.00 0.00 C ATOM 201 CD ARG A 12 8.221 11.724 10.668 1.00 0.00 C ATOM 202 NE ARG A 12 8.748 11.153 11.928 1.00 0.00 N ATOM 203 CZ ARG A 12 8.619 11.735 13.128 1.00 0.00 C ATOM 204 NH1 ARG A 12 7.981 12.908 13.238 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.129 11.145 14.217 1.00 0.00 N ATOM 0 H ARG A 12 4.260 10.052 8.136 1.00 0.00 H new ATOM 0 HA ARG A 12 6.912 8.755 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.170 11.206 7.758 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.219 11.483 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.188 9.657 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.053 10.715 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.854 12.549 10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.224 12.133 10.833 1.00 0.00 H new ATOM 0 HE ARG A 12 9.240 10.261 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.594 13.358 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.883 13.351 14.151 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.616 10.253 14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.031 11.588 15.130 1.00 0.00 H new ATOM 219 N PHE A 13 6.459 7.731 10.228 1.00 0.00 N ATOM 220 CA PHE A 13 6.198 7.075 11.497 1.00 0.00 C ATOM 221 C PHE A 13 7.500 6.807 12.254 1.00 0.00 C ATOM 222 O PHE A 13 8.552 6.627 11.643 1.00 0.00 O ATOM 223 CB PHE A 13 5.523 5.739 11.179 1.00 0.00 C ATOM 224 CG PHE A 13 4.319 5.857 10.243 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.482 6.924 10.343 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.085 4.894 9.312 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.364 7.034 9.475 1.00 0.00 C ATOM 228 CE2 PHE A 13 2.967 5.004 8.443 1.00 0.00 C ATOM 229 CZ PHE A 13 2.130 6.071 8.543 1.00 0.00 C ATOM 0 H PHE A 13 7.137 7.254 9.633 1.00 0.00 H new ATOM 0 HA PHE A 13 5.570 7.710 12.122 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.257 5.071 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.201 5.275 12.111 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.668 7.688 11.083 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.749 4.046 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.700 7.882 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.782 4.240 7.703 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.280 6.154 7.883 1.00 0.00 H new ATOM 239 N ASN A 14 7.387 6.790 13.574 1.00 0.00 N ATOM 240 CA ASN A 14 8.543 6.548 14.421 1.00 0.00 C ATOM 241 C ASN A 14 8.719 5.041 14.617 1.00 0.00 C ATOM 242 O ASN A 14 7.841 4.375 15.163 1.00 0.00 O ATOM 243 CB ASN A 14 8.358 7.185 15.800 1.00 0.00 C ATOM 244 CG ASN A 14 9.419 8.258 16.055 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.602 8.063 15.828 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.932 9.397 16.538 1.00 0.00 N ATOM 0 H ASN A 14 6.513 6.940 14.078 1.00 0.00 H new ATOM 0 HA ASN A 14 9.415 6.986 13.935 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.364 7.627 15.870 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.420 6.417 16.571 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.560 10.175 16.742 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.930 9.493 16.705 1.00 0.00 H new ATOM 253 N ALA A 15 9.861 4.547 14.160 1.00 0.00 N ATOM 254 CA ALA A 15 10.164 3.131 14.278 1.00 0.00 C ATOM 255 C ALA A 15 11.341 2.788 13.363 1.00 0.00 C ATOM 256 O ALA A 15 11.693 3.568 12.480 1.00 0.00 O ATOM 257 CB ALA A 15 8.914 2.312 13.950 1.00 0.00 C ATOM 0 H ALA A 15 10.587 5.102 13.708 1.00 0.00 H new ATOM 0 HA ALA A 15 10.457 2.885 15.299 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.141 1.250 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.116 2.571 14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.593 2.531 12.932 1.00 0.00 H new ATOM 263 N PRO A 16 11.934 1.590 13.614 1.00 0.00 N ATOM 264 CA PRO A 16 13.064 1.134 12.823 1.00 0.00 C ATOM 265 C PRO A 16 12.612 0.660 11.441 1.00 0.00 C ATOM 266 O PRO A 16 11.723 -0.183 11.330 1.00 0.00 O ATOM 267 CB PRO A 16 13.703 0.029 13.650 1.00 0.00 C ATOM 268 CG PRO A 16 12.643 -0.409 14.648 1.00 0.00 C ATOM 269 CD PRO A 16 11.544 0.640 14.652 1.00 0.00 C ATOM 0 HA PRO A 16 13.782 1.928 12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.012 -0.803 13.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.596 0.390 14.161 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.239 -1.383 14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.075 -0.512 15.643 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.572 0.196 14.437 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.464 1.126 15.624 1.00 0.00 H new ATOM 277 N ILE A 17 13.243 1.224 10.421 1.00 0.00 N ATOM 278 CA ILE A 17 12.916 0.870 9.050 1.00 0.00 C ATOM 279 C ILE A 17 12.919 -0.653 8.907 1.00 0.00 C ATOM 280 O ILE A 17 12.252 -1.199 8.030 1.00 0.00 O ATOM 281 CB ILE A 17 13.856 1.581 8.075 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.481 1.267 6.625 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.318 1.243 8.376 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.937 2.386 5.686 1.00 0.00 C ATOM 0 H ILE A 17 13.979 1.924 10.517 1.00 0.00 H new ATOM 0 HA ILE A 17 11.913 1.212 8.797 1.00 0.00 H new ATOM 0 HB ILE A 17 13.741 2.656 8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.939 0.325 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.402 1.137 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.965 1.762 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.563 1.559 9.390 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.469 0.167 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.658 2.138 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.459 3.322 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.019 2.497 5.751 1.00 0.00 H new ATOM 296 N GLU A 18 13.678 -1.297 9.782 1.00 0.00 N ATOM 297 CA GLU A 18 13.776 -2.746 9.764 1.00 0.00 C ATOM 298 C GLU A 18 12.409 -3.375 10.039 1.00 0.00 C ATOM 299 O GLU A 18 12.003 -4.312 9.353 1.00 0.00 O ATOM 300 CB GLU A 18 14.818 -3.237 10.771 1.00 0.00 C ATOM 301 CG GLU A 18 15.673 -4.356 10.174 1.00 0.00 C ATOM 302 CD GLU A 18 15.888 -5.483 11.186 1.00 0.00 C ATOM 303 OE1 GLU A 18 16.627 -5.236 12.163 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.307 -6.567 10.961 1.00 0.00 O ATOM 0 H GLU A 18 14.231 -0.841 10.508 1.00 0.00 H new ATOM 0 HA GLU A 18 14.103 -3.056 8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.457 -2.407 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.318 -3.597 11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.188 -4.752 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.637 -3.954 9.862 1.00 0.00 H new ATOM 311 N LYS A 19 11.735 -2.833 11.044 1.00 0.00 N ATOM 312 CA LYS A 19 10.422 -3.329 11.418 1.00 0.00 C ATOM 313 C LYS A 19 9.432 -3.040 10.288 1.00 0.00 C ATOM 314 O LYS A 19 8.746 -3.944 9.812 1.00 0.00 O ATOM 315 CB LYS A 19 9.997 -2.754 12.770 1.00 0.00 C ATOM 316 CG LYS A 19 9.372 -3.835 13.654 1.00 0.00 C ATOM 317 CD LYS A 19 8.363 -3.229 14.632 1.00 0.00 C ATOM 318 CE LYS A 19 7.184 -4.177 14.860 1.00 0.00 C ATOM 319 NZ LYS A 19 7.636 -5.413 15.537 1.00 0.00 N ATOM 0 H LYS A 19 12.074 -2.055 11.610 1.00 0.00 H new ATOM 0 HA LYS A 19 10.447 -4.410 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.862 -2.323 13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.282 -1.946 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.877 -4.579 13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.154 -4.354 14.208 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.854 -3.018 15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.000 -2.278 14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.423 -3.682 15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.721 -4.427 13.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.811 -6.000 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.268 -5.944 14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.147 -5.165 16.408 1.00 0.00 H new ATOM 333 N VAL A 20 9.389 -1.777 9.890 1.00 0.00 N ATOM 334 CA VAL A 20 8.494 -1.358 8.825 1.00 0.00 C ATOM 335 C VAL A 20 8.795 -2.169 7.563 1.00 0.00 C ATOM 336 O VAL A 20 7.879 -2.634 6.887 1.00 0.00 O ATOM 337 CB VAL A 20 8.610 0.152 8.608 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.697 0.615 7.471 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.310 0.917 9.898 1.00 0.00 C ATOM 0 H VAL A 20 9.960 -1.030 10.286 1.00 0.00 H new ATOM 0 HA VAL A 20 7.457 -1.555 9.098 1.00 0.00 H new ATOM 0 HB VAL A 20 9.639 0.370 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.799 1.692 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.979 0.107 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.662 0.376 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.400 1.988 9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.297 0.689 10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.019 0.620 10.670 1.00 0.00 H new ATOM 349 N TRP A 21 10.082 -2.313 7.284 1.00 0.00 N ATOM 350 CA TRP A 21 10.516 -3.059 6.115 1.00 0.00 C ATOM 351 C TRP A 21 9.928 -4.469 6.210 1.00 0.00 C ATOM 352 O TRP A 21 9.236 -4.919 5.298 1.00 0.00 O ATOM 353 CB TRP A 21 12.041 -3.054 5.996 1.00 0.00 C ATOM 354 CG TRP A 21 12.571 -3.781 4.759 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.475 -4.769 4.706 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.189 -3.536 3.388 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.704 -5.176 3.407 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.897 -4.403 2.581 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.276 -2.613 2.849 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.766 -4.432 1.187 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.157 -2.655 1.455 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.862 -3.521 0.628 1.00 0.00 C ATOM 0 H TRP A 21 10.839 -1.926 7.848 1.00 0.00 H new ATOM 0 HA TRP A 21 10.152 -2.590 5.201 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.390 -2.022 5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.466 -3.517 6.887 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.963 -5.193 5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.347 -5.909 3.108 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.711 -1.926 3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.332 -5.120 0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.468 -1.966 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.713 -3.491 -0.441 1.00 0.00 H new ATOM 373 N GLU A 22 10.225 -5.126 7.321 1.00 0.00 N ATOM 374 CA GLU A 22 9.734 -6.475 7.546 1.00 0.00 C ATOM 375 C GLU A 22 8.204 -6.491 7.544 1.00 0.00 C ATOM 376 O GLU A 22 7.591 -7.517 7.251 1.00 0.00 O ATOM 377 CB GLU A 22 10.287 -7.048 8.853 1.00 0.00 C ATOM 378 CG GLU A 22 11.208 -8.240 8.583 1.00 0.00 C ATOM 379 CD GLU A 22 10.418 -9.550 8.564 1.00 0.00 C ATOM 380 OE1 GLU A 22 9.595 -9.729 9.487 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.657 -10.343 7.628 1.00 0.00 O ATOM 0 H GLU A 22 10.799 -4.750 8.075 1.00 0.00 H new ATOM 0 HA GLU A 22 10.085 -7.109 6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.836 -6.274 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.463 -7.359 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.715 -8.103 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.981 -8.288 9.350 1.00 0.00 H new ATOM 388 N ALA A 23 7.632 -5.342 7.872 1.00 0.00 N ATOM 389 CA ALA A 23 6.186 -5.211 7.912 1.00 0.00 C ATOM 390 C ALA A 23 5.641 -5.183 6.482 1.00 0.00 C ATOM 391 O ALA A 23 4.496 -5.563 6.242 1.00 0.00 O ATOM 392 CB ALA A 23 5.808 -3.958 8.704 1.00 0.00 C ATOM 0 H ALA A 23 8.144 -4.493 8.113 1.00 0.00 H new ATOM 0 HA ALA A 23 5.738 -6.065 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.723 -3.860 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.193 -4.040 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.239 -3.080 8.223 1.00 0.00 H new ATOM 398 N VAL A 24 6.488 -4.729 5.569 1.00 0.00 N ATOM 399 CA VAL A 24 6.106 -4.647 4.170 1.00 0.00 C ATOM 400 C VAL A 24 6.859 -5.716 3.376 1.00 0.00 C ATOM 401 O VAL A 24 6.880 -5.682 2.147 1.00 0.00 O ATOM 402 CB VAL A 24 6.348 -3.231 3.644 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.707 -2.188 4.562 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.844 -2.960 3.467 1.00 0.00 C ATOM 0 H VAL A 24 7.437 -4.414 5.771 1.00 0.00 H new ATOM 0 HA VAL A 24 5.041 -4.846 4.053 1.00 0.00 H new ATOM 0 HB VAL A 24 5.875 -3.152 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.894 -1.190 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.632 -2.362 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.138 -2.268 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.988 -1.947 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.349 -3.067 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.261 -3.673 2.756 1.00 0.00 H new ATOM 414 N SER A 25 7.458 -6.641 4.112 1.00 0.00 N ATOM 415 CA SER A 25 8.211 -7.719 3.492 1.00 0.00 C ATOM 416 C SER A 25 7.526 -9.059 3.765 1.00 0.00 C ATOM 417 O SER A 25 7.625 -9.986 2.962 1.00 0.00 O ATOM 418 CB SER A 25 9.654 -7.746 4.000 1.00 0.00 C ATOM 419 OG SER A 25 9.804 -8.597 5.133 1.00 0.00 O ATOM 0 H SER A 25 7.437 -6.666 5.131 1.00 0.00 H new ATOM 0 HA SER A 25 8.237 -7.544 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.313 -8.086 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.965 -6.735 4.262 1.00 0.00 H new ATOM 0 HG SER A 25 10.747 -8.845 5.234 1.00 0.00 H new ATOM 425 N THR A 26 6.847 -9.120 4.901 1.00 0.00 N ATOM 426 CA THR A 26 6.146 -10.332 5.290 1.00 0.00 C ATOM 427 C THR A 26 4.675 -10.253 4.878 1.00 0.00 C ATOM 428 O THR A 26 4.162 -9.170 4.599 1.00 0.00 O ATOM 429 CB THR A 26 6.346 -10.532 6.794 1.00 0.00 C ATOM 430 OG1 THR A 26 5.966 -9.282 7.364 1.00 0.00 O ATOM 431 CG2 THR A 26 7.821 -10.682 7.174 1.00 0.00 C ATOM 0 H THR A 26 6.767 -8.350 5.565 1.00 0.00 H new ATOM 0 HA THR A 26 6.549 -11.204 4.775 1.00 0.00 H new ATOM 0 HB THR A 26 5.796 -11.415 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.768 -8.753 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.907 -10.821 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.243 -11.547 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.366 -9.785 6.880 1.00 0.00 H new ATOM 439 N SER A 27 4.037 -11.414 4.854 1.00 0.00 N ATOM 440 CA SER A 27 2.635 -11.490 4.480 1.00 0.00 C ATOM 441 C SER A 27 1.755 -11.098 5.669 1.00 0.00 C ATOM 442 O SER A 27 0.826 -10.305 5.523 1.00 0.00 O ATOM 443 CB SER A 27 2.271 -12.893 3.990 1.00 0.00 C ATOM 444 OG SER A 27 3.079 -13.301 2.890 1.00 0.00 O ATOM 0 H SER A 27 4.465 -12.310 5.088 1.00 0.00 H new ATOM 0 HA SER A 27 2.461 -10.792 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.387 -13.604 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.222 -12.913 3.696 1.00 0.00 H new ATOM 0 HG SER A 27 3.734 -12.601 2.688 1.00 0.00 H new ATOM 450 N GLU A 28 2.079 -11.671 6.818 1.00 0.00 N ATOM 451 CA GLU A 28 1.329 -11.391 8.031 1.00 0.00 C ATOM 452 C GLU A 28 1.425 -9.906 8.384 1.00 0.00 C ATOM 453 O GLU A 28 0.460 -9.315 8.866 1.00 0.00 O ATOM 454 CB GLU A 28 1.817 -12.262 9.191 1.00 0.00 C ATOM 455 CG GLU A 28 0.657 -13.034 9.823 1.00 0.00 C ATOM 456 CD GLU A 28 0.480 -12.650 11.293 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.217 -11.453 11.540 1.00 0.00 O ATOM 458 OE2 GLU A 28 0.611 -13.562 12.138 1.00 0.00 O ATOM 0 H GLU A 28 2.850 -12.328 6.935 1.00 0.00 H new ATOM 0 HA GLU A 28 0.282 -11.635 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.572 -12.962 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.295 -11.636 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.263 -12.827 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.842 -14.105 9.743 1.00 0.00 H new ATOM 465 N GLY A 29 2.598 -9.344 8.129 1.00 0.00 N ATOM 466 CA GLY A 29 2.833 -7.939 8.414 1.00 0.00 C ATOM 467 C GLY A 29 2.066 -7.046 7.436 1.00 0.00 C ATOM 468 O GLY A 29 1.516 -6.019 7.828 1.00 0.00 O ATOM 0 H GLY A 29 3.396 -9.837 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.525 -7.715 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.900 -7.724 8.348 1.00 0.00 H new ATOM 472 N LEU A 30 2.055 -7.471 6.181 1.00 0.00 N ATOM 473 CA LEU A 30 1.365 -6.723 5.144 1.00 0.00 C ATOM 474 C LEU A 30 -0.146 -6.868 5.336 1.00 0.00 C ATOM 475 O LEU A 30 -0.861 -5.872 5.434 1.00 0.00 O ATOM 476 CB LEU A 30 1.853 -7.153 3.759 1.00 0.00 C ATOM 477 CG LEU A 30 2.754 -6.156 3.026 1.00 0.00 C ATOM 478 CD1 LEU A 30 4.018 -6.841 2.502 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.987 -5.441 1.912 1.00 0.00 C ATOM 0 H LEU A 30 2.513 -8.324 5.859 1.00 0.00 H new ATOM 0 HA LEU A 30 1.596 -5.661 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.394 -8.094 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.982 -7.353 3.135 1.00 0.00 H new ATOM 0 HG LEU A 30 3.072 -5.395 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.640 -6.110 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.575 -7.266 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.741 -7.636 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.650 -4.738 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.621 -6.175 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.143 -4.900 2.340 1.00 0.00 H new ATOM 491 N ALA A 31 -0.587 -8.116 5.384 1.00 0.00 N ATOM 492 CA ALA A 31 -2.000 -8.404 5.563 1.00 0.00 C ATOM 493 C ALA A 31 -2.497 -7.724 6.840 1.00 0.00 C ATOM 494 O ALA A 31 -3.700 -7.554 7.029 1.00 0.00 O ATOM 495 CB ALA A 31 -2.213 -9.919 5.587 1.00 0.00 C ATOM 0 H ALA A 31 0.009 -8.940 5.302 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.581 -8.007 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.273 -10.135 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.871 -10.349 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.647 -10.353 6.411 1.00 0.00 H new ATOM 501 N PHE A 32 -1.545 -7.354 7.684 1.00 0.00 N ATOM 502 CA PHE A 32 -1.871 -6.697 8.939 1.00 0.00 C ATOM 503 C PHE A 32 -2.517 -5.333 8.691 1.00 0.00 C ATOM 504 O PHE A 32 -3.289 -4.848 9.517 1.00 0.00 O ATOM 505 CB PHE A 32 -0.555 -6.496 9.693 1.00 0.00 C ATOM 506 CG PHE A 32 -0.648 -6.780 11.194 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.395 -5.973 11.993 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.016 -7.840 11.728 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.482 -6.236 13.386 1.00 0.00 C ATOM 510 CE2 PHE A 32 -0.071 -8.104 13.120 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.818 -7.296 13.920 1.00 0.00 C ATOM 0 H PHE A 32 -0.548 -7.497 7.524 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.576 -7.305 9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.204 -7.145 9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.218 -5.470 9.548 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.922 -5.132 11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.610 -8.481 11.093 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.075 -5.595 14.021 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.456 -8.946 13.544 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.884 -7.496 14.979 1.00 0.00 H new ATOM 521 N TRP A 33 -2.178 -4.752 7.550 1.00 0.00 N ATOM 522 CA TRP A 33 -2.715 -3.452 7.183 1.00 0.00 C ATOM 523 C TRP A 33 -3.302 -3.564 5.774 1.00 0.00 C ATOM 524 O TRP A 33 -4.441 -3.164 5.539 1.00 0.00 O ATOM 525 CB TRP A 33 -1.647 -2.364 7.300 1.00 0.00 C ATOM 526 CG TRP A 33 -0.431 -2.585 6.398 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.640 -3.356 6.631 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.204 -1.994 5.101 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.537 -3.305 5.584 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.008 -2.451 4.624 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.996 -1.102 4.356 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.535 -2.071 3.384 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.454 -0.733 3.119 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.764 -1.184 2.625 1.00 0.00 C ATOM 0 H TRP A 33 -1.538 -5.157 6.867 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.508 -3.155 7.869 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.096 -1.401 7.057 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.313 -2.308 8.336 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.783 -3.943 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.425 -3.803 5.525 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.947 -0.731 4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.486 -2.443 3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.023 -0.050 2.506 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.114 -0.851 1.659 1.00 0.00 H new ATOM 545 N PHE A 34 -2.498 -4.110 4.874 1.00 0.00 N ATOM 546 CA PHE A 34 -2.923 -4.280 3.495 1.00 0.00 C ATOM 547 C PHE A 34 -4.034 -5.326 3.389 1.00 0.00 C ATOM 548 O PHE A 34 -5.216 -4.993 3.468 1.00 0.00 O ATOM 549 CB PHE A 34 -1.705 -4.765 2.708 1.00 0.00 C ATOM 550 CG PHE A 34 -2.042 -5.337 1.329 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.893 -4.669 0.505 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.492 -6.515 0.928 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.206 -5.200 -0.774 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.805 -7.046 -0.351 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.655 -6.377 -1.175 1.00 0.00 C ATOM 0 H PHE A 34 -1.554 -4.441 5.073 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.310 -3.338 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.010 -3.934 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.189 -5.528 3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.331 -3.735 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.817 -7.046 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.882 -4.669 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.368 -7.981 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.893 -6.780 -2.148 1.00 0.00 H new ATOM 565 N MET A 35 -3.616 -6.571 3.211 1.00 0.00 N ATOM 566 CA MET A 35 -4.561 -7.668 3.093 1.00 0.00 C ATOM 567 C MET A 35 -3.833 -9.009 2.983 1.00 0.00 C ATOM 568 O MET A 35 -2.646 -9.051 2.666 1.00 0.00 O ATOM 569 CB MET A 35 -5.436 -7.458 1.855 1.00 0.00 C ATOM 570 CG MET A 35 -6.781 -6.837 2.233 1.00 0.00 C ATOM 571 SD MET A 35 -7.096 -5.400 1.222 1.00 0.00 S ATOM 572 CE MET A 35 -6.900 -6.116 -0.402 1.00 0.00 C ATOM 0 H MET A 35 -2.635 -6.844 3.146 1.00 0.00 H new ATOM 0 HA MET A 35 -5.182 -7.686 3.988 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.919 -6.811 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.600 -8.413 1.355 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.579 -7.568 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.778 -6.557 3.286 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.980 -5.745 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.851 -7.202 -0.318 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.749 -5.839 -1.027 1.00 0.00 H new ATOM 582 N GLU A 36 -4.576 -10.073 3.251 1.00 0.00 N ATOM 583 CA GLU A 36 -4.016 -11.412 3.186 1.00 0.00 C ATOM 584 C GLU A 36 -3.217 -11.591 1.894 1.00 0.00 C ATOM 585 O GLU A 36 -3.628 -11.120 0.835 1.00 0.00 O ATOM 586 CB GLU A 36 -5.114 -12.472 3.303 1.00 0.00 C ATOM 587 CG GLU A 36 -5.689 -12.512 4.720 1.00 0.00 C ATOM 588 CD GLU A 36 -5.669 -13.935 5.280 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.589 -14.560 5.205 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.734 -14.367 5.771 1.00 0.00 O ATOM 0 H GLU A 36 -5.561 -10.035 3.514 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.339 -11.543 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.910 -12.257 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.709 -13.450 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.112 -11.854 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.712 -12.135 4.712 1.00 0.00 H new ATOM 597 N ASN A 37 -2.089 -12.274 2.023 1.00 0.00 N ATOM 598 CA ASN A 37 -1.228 -12.522 0.879 1.00 0.00 C ATOM 599 C ASN A 37 -0.179 -13.571 1.252 1.00 0.00 C ATOM 600 O ASN A 37 -0.142 -14.039 2.389 1.00 0.00 O ATOM 601 CB ASN A 37 -0.494 -11.248 0.457 1.00 0.00 C ATOM 602 CG ASN A 37 0.592 -10.879 1.470 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.770 -11.130 1.276 1.00 0.00 O ATOM 604 ND2 ASN A 37 0.130 -10.272 2.560 1.00 0.00 N ATOM 0 H ASN A 37 -1.751 -12.664 2.903 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.853 -12.868 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.046 -11.391 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.206 -10.427 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.775 -9.987 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.869 -10.092 2.659 1.00 0.00 H new ATOM 611 N ASP A 38 0.647 -13.909 0.273 1.00 0.00 N ATOM 612 CA ASP A 38 1.694 -14.895 0.485 1.00 0.00 C ATOM 613 C ASP A 38 3.033 -14.316 0.024 1.00 0.00 C ATOM 614 O ASP A 38 3.938 -15.060 -0.352 1.00 0.00 O ATOM 615 CB ASP A 38 1.425 -16.166 -0.323 1.00 0.00 C ATOM 616 CG ASP A 38 1.279 -17.442 0.509 1.00 0.00 C ATOM 617 OD1 ASP A 38 0.138 -17.709 0.943 1.00 0.00 O ATOM 618 OD2 ASP A 38 2.313 -18.121 0.692 1.00 0.00 O ATOM 0 H ASP A 38 0.613 -13.518 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 38 1.717 -15.141 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.514 -16.023 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.239 -16.305 -1.035 1.00 0.00 H new ATOM 623 N LEU A 39 3.118 -12.995 0.069 1.00 0.00 N ATOM 624 CA LEU A 39 4.331 -12.308 -0.339 1.00 0.00 C ATOM 625 C LEU A 39 5.456 -12.642 0.643 1.00 0.00 C ATOM 626 O LEU A 39 5.199 -12.944 1.808 1.00 0.00 O ATOM 627 CB LEU A 39 4.073 -10.808 -0.491 1.00 0.00 C ATOM 628 CG LEU A 39 5.257 -9.970 -0.978 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.863 -9.113 -2.183 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.836 -9.126 0.159 1.00 0.00 C ATOM 0 H LEU A 39 2.366 -12.382 0.382 1.00 0.00 H new ATOM 0 HA LEU A 39 4.652 -12.653 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.245 -10.670 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.748 -10.416 0.473 1.00 0.00 H new ATOM 0 HG LEU A 39 6.043 -10.649 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.722 -8.527 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.534 -9.759 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.052 -8.441 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.676 -8.540 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.067 -8.455 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.178 -9.781 0.961 1.00 0.00 H new ATOM 642 N LYS A 40 6.679 -12.577 0.138 1.00 0.00 N ATOM 643 CA LYS A 40 7.844 -12.868 0.956 1.00 0.00 C ATOM 644 C LYS A 40 9.027 -12.030 0.469 1.00 0.00 C ATOM 645 O LYS A 40 10.169 -12.487 0.495 1.00 0.00 O ATOM 646 CB LYS A 40 8.122 -14.373 0.975 1.00 0.00 C ATOM 647 CG LYS A 40 7.797 -14.974 2.343 1.00 0.00 C ATOM 648 CD LYS A 40 8.486 -16.327 2.526 1.00 0.00 C ATOM 649 CE LYS A 40 9.511 -16.272 3.661 1.00 0.00 C ATOM 650 NZ LYS A 40 9.372 -17.453 4.542 1.00 0.00 N ATOM 0 H LYS A 40 6.889 -12.327 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 40 7.661 -12.587 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.526 -14.866 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.169 -14.556 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.116 -14.290 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.718 -15.095 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.740 -17.092 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.980 -16.616 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.519 -16.236 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.372 -15.360 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.075 -17.400 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.416 -17.470 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.528 -18.319 3.988 1.00 0.00 H new ATOM 664 N ALA A 41 8.713 -10.817 0.036 1.00 0.00 N ATOM 665 CA ALA A 41 9.737 -9.911 -0.457 1.00 0.00 C ATOM 666 C ALA A 41 10.709 -10.683 -1.350 1.00 0.00 C ATOM 667 O ALA A 41 11.882 -10.835 -1.011 1.00 0.00 O ATOM 668 CB ALA A 41 10.438 -9.241 0.726 1.00 0.00 C ATOM 0 H ALA A 41 7.765 -10.441 0.016 1.00 0.00 H new ATOM 0 HA ALA A 41 9.291 -9.121 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.206 -8.562 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.709 -8.681 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.899 -10.003 1.354 1.00 0.00 H new ATOM 674 N GLU A 42 10.186 -11.152 -2.474 1.00 0.00 N ATOM 675 CA GLU A 42 10.994 -11.905 -3.418 1.00 0.00 C ATOM 676 C GLU A 42 10.586 -11.567 -4.853 1.00 0.00 C ATOM 677 O GLU A 42 9.452 -11.823 -5.257 1.00 0.00 O ATOM 678 CB GLU A 42 10.885 -13.408 -3.156 1.00 0.00 C ATOM 679 CG GLU A 42 12.269 -14.037 -2.987 1.00 0.00 C ATOM 680 CD GLU A 42 12.170 -15.406 -2.311 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.413 -16.248 -2.841 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.853 -15.580 -1.279 1.00 0.00 O ATOM 0 H GLU A 42 9.213 -11.025 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 42 12.037 -11.621 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.291 -13.582 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.362 -13.888 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.746 -14.142 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.902 -13.378 -2.392 1.00 0.00 H new ATOM 689 N THR A 43 11.532 -10.997 -5.585 1.00 0.00 N ATOM 690 CA THR A 43 11.284 -10.622 -6.967 1.00 0.00 C ATOM 691 C THR A 43 10.919 -11.854 -7.797 1.00 0.00 C ATOM 692 O THR A 43 11.522 -12.914 -7.640 1.00 0.00 O ATOM 693 CB THR A 43 12.521 -9.885 -7.485 1.00 0.00 C ATOM 694 OG1 THR A 43 12.008 -9.003 -8.480 1.00 0.00 O ATOM 695 CG2 THR A 43 13.470 -10.805 -8.257 1.00 0.00 C ATOM 0 H THR A 43 12.471 -10.786 -5.247 1.00 0.00 H new ATOM 0 HA THR A 43 10.429 -9.950 -7.048 1.00 0.00 H new ATOM 0 HB THR A 43 13.053 -9.435 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.743 -8.484 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.331 -10.233 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.808 -11.610 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.948 -11.229 -9.115 1.00 0.00 H new ATOM 703 N GLY A 44 9.933 -11.673 -8.663 1.00 0.00 N ATOM 704 CA GLY A 44 9.479 -12.756 -9.519 1.00 0.00 C ATOM 705 C GLY A 44 8.850 -13.880 -8.693 1.00 0.00 C ATOM 706 O GLY A 44 9.077 -15.058 -8.965 1.00 0.00 O ATOM 0 H GLY A 44 9.435 -10.792 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.752 -12.377 -10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.319 -13.148 -10.093 1.00 0.00 H new ATOM 710 N HIS A 45 8.071 -13.476 -7.700 1.00 0.00 N ATOM 711 CA HIS A 45 7.407 -14.435 -6.833 1.00 0.00 C ATOM 712 C HIS A 45 5.952 -14.605 -7.275 1.00 0.00 C ATOM 713 O HIS A 45 5.468 -13.864 -8.130 1.00 0.00 O ATOM 714 CB HIS A 45 7.536 -14.020 -5.366 1.00 0.00 C ATOM 715 CG HIS A 45 6.985 -15.033 -4.390 1.00 0.00 C ATOM 716 ND1 HIS A 45 7.030 -16.396 -4.621 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.378 -14.866 -3.180 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.472 -17.013 -3.589 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.068 -16.063 -2.698 1.00 0.00 N ATOM 0 H HIS A 45 7.885 -12.498 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 45 7.893 -15.407 -6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.588 -13.847 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.019 -13.072 -5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.183 -13.920 -2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.357 -18.081 -3.474 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.604 -16.243 -1.808 1.00 0.00 H new ATOM 727 N HIS A 46 5.295 -15.586 -6.673 1.00 0.00 N ATOM 728 CA HIS A 46 3.906 -15.863 -6.994 1.00 0.00 C ATOM 729 C HIS A 46 3.101 -16.015 -5.702 1.00 0.00 C ATOM 730 O HIS A 46 3.285 -16.981 -4.962 1.00 0.00 O ATOM 731 CB HIS A 46 3.793 -17.083 -7.910 1.00 0.00 C ATOM 732 CG HIS A 46 4.660 -18.247 -7.492 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.317 -19.105 -6.462 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.857 -18.686 -7.977 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.273 -20.015 -6.340 1.00 0.00 C ATOM 736 NE2 HIS A 46 6.226 -19.753 -7.280 1.00 0.00 N ATOM 0 H HIS A 46 5.699 -16.199 -5.965 1.00 0.00 H new ATOM 0 HA HIS A 46 3.483 -15.025 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.753 -17.409 -7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.062 -16.789 -8.925 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.472 -19.047 -5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.411 -18.241 -8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.294 -20.822 -5.623 1.00 0.00 H new ATOM 744 N PHE A 47 2.226 -15.048 -5.470 1.00 0.00 N ATOM 745 CA PHE A 47 1.392 -15.062 -4.280 1.00 0.00 C ATOM 746 C PHE A 47 -0.022 -14.572 -4.595 1.00 0.00 C ATOM 747 O PHE A 47 -0.196 -13.579 -5.300 1.00 0.00 O ATOM 748 CB PHE A 47 2.037 -14.110 -3.271 1.00 0.00 C ATOM 749 CG PHE A 47 2.114 -12.658 -3.748 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.906 -12.331 -4.804 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.391 -11.695 -3.115 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.978 -10.983 -5.247 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.463 -10.348 -3.558 1.00 0.00 C ATOM 754 CZ PHE A 47 2.255 -10.020 -4.614 1.00 0.00 C ATOM 0 H PHE A 47 2.076 -14.249 -6.086 1.00 0.00 H new ATOM 0 HA PHE A 47 1.316 -16.077 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.472 -14.146 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.044 -14.462 -3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.480 -13.096 -5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.763 -11.955 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.606 -10.723 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.889 -9.583 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.310 -8.995 -4.950 1.00 0.00 H new ATOM 764 N HIS A 48 -0.997 -15.291 -4.058 1.00 0.00 N ATOM 765 CA HIS A 48 -2.391 -14.941 -4.273 1.00 0.00 C ATOM 766 C HIS A 48 -2.855 -13.983 -3.175 1.00 0.00 C ATOM 767 O HIS A 48 -2.149 -13.773 -2.190 1.00 0.00 O ATOM 768 CB HIS A 48 -3.258 -16.198 -4.368 1.00 0.00 C ATOM 769 CG HIS A 48 -3.291 -16.819 -5.744 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.153 -17.267 -6.392 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.335 -17.062 -6.587 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.508 -17.755 -7.572 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.860 -17.627 -7.691 1.00 0.00 N ATOM 0 H HIS A 48 -0.849 -16.114 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.497 -14.424 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.889 -16.936 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.276 -15.948 -4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.372 -16.834 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.843 -18.179 -8.310 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.415 -17.917 -8.496 1.00 0.00 H new ATOM 781 N LEU A 49 -4.039 -13.426 -3.382 1.00 0.00 N ATOM 782 CA LEU A 49 -4.606 -12.494 -2.421 1.00 0.00 C ATOM 783 C LEU A 49 -6.062 -12.876 -2.145 1.00 0.00 C ATOM 784 O LEU A 49 -6.813 -13.182 -3.070 1.00 0.00 O ATOM 785 CB LEU A 49 -4.429 -11.053 -2.904 1.00 0.00 C ATOM 786 CG LEU A 49 -4.309 -9.990 -1.811 1.00 0.00 C ATOM 787 CD1 LEU A 49 -2.866 -9.873 -1.315 1.00 0.00 C ATOM 788 CD2 LEU A 49 -4.861 -8.646 -2.290 1.00 0.00 C ATOM 0 H LEU A 49 -4.622 -13.602 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.074 -12.555 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.536 -11.007 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.276 -10.797 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.917 -10.304 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.809 -9.110 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.543 -10.831 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.217 -9.594 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.764 -7.908 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.301 -8.313 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.913 -8.758 -2.554 1.00 0.00 H new ATOM 800 N GLN A 50 -6.417 -12.845 -0.869 1.00 0.00 N ATOM 801 CA GLN A 50 -7.769 -13.184 -0.460 1.00 0.00 C ATOM 802 C GLN A 50 -8.559 -11.914 -0.135 1.00 0.00 C ATOM 803 O GLN A 50 -8.773 -11.594 1.033 1.00 0.00 O ATOM 804 CB GLN A 50 -7.757 -14.142 0.732 1.00 0.00 C ATOM 805 CG GLN A 50 -7.155 -15.494 0.343 1.00 0.00 C ATOM 806 CD GLN A 50 -8.206 -16.604 0.417 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.210 -17.432 1.313 1.00 0.00 O ATOM 808 NE2 GLN A 50 -9.094 -16.575 -0.573 1.00 0.00 N ATOM 0 H GLN A 50 -5.791 -12.590 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.262 -13.693 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.182 -13.705 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.773 -14.285 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.750 -15.439 -0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.324 -15.731 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.033 -15.854 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.836 -17.274 -0.613 1.00 0.00 H new ATOM 817 N SER A 51 -8.971 -11.226 -1.190 1.00 0.00 N ATOM 818 CA SER A 51 -9.732 -9.998 -1.031 1.00 0.00 C ATOM 819 C SER A 51 -11.225 -10.318 -0.933 1.00 0.00 C ATOM 820 O SER A 51 -11.649 -11.427 -1.256 1.00 0.00 O ATOM 821 CB SER A 51 -9.471 -9.035 -2.191 1.00 0.00 C ATOM 822 OG SER A 51 -10.442 -9.169 -3.225 1.00 0.00 O ATOM 0 H SER A 51 -8.792 -11.495 -2.157 1.00 0.00 H new ATOM 0 HA SER A 51 -9.409 -9.511 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.476 -8.010 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.478 -9.221 -2.600 1.00 0.00 H new ATOM 0 HG SER A 51 -10.286 -10.004 -3.714 1.00 0.00 H new ATOM 828 N PRO A 52 -12.002 -9.300 -0.473 1.00 0.00 N ATOM 829 CA PRO A 52 -13.438 -9.462 -0.328 1.00 0.00 C ATOM 830 C PRO A 52 -14.135 -9.424 -1.689 1.00 0.00 C ATOM 831 O PRO A 52 -15.045 -10.211 -1.947 1.00 0.00 O ATOM 832 CB PRO A 52 -13.870 -8.331 0.592 1.00 0.00 C ATOM 833 CG PRO A 52 -12.745 -7.310 0.553 1.00 0.00 C ATOM 834 CD PRO A 52 -11.534 -7.974 -0.081 1.00 0.00 C ATOM 0 HA PRO A 52 -13.711 -10.429 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.809 -7.891 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.033 -8.694 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.045 -6.434 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.508 -6.965 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.178 -7.409 -0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.704 -8.039 0.623 1.00 0.00 H new ATOM 842 N PHE A 53 -13.681 -8.502 -2.525 1.00 0.00 N ATOM 843 CA PHE A 53 -14.249 -8.352 -3.854 1.00 0.00 C ATOM 844 C PHE A 53 -13.632 -9.355 -4.831 1.00 0.00 C ATOM 845 O PHE A 53 -13.222 -8.985 -5.930 1.00 0.00 O ATOM 846 CB PHE A 53 -13.920 -6.933 -4.323 1.00 0.00 C ATOM 847 CG PHE A 53 -15.027 -6.281 -5.154 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.433 -6.855 -6.318 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.605 -5.125 -4.728 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.460 -6.250 -7.089 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.632 -4.520 -5.499 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.038 -5.094 -6.663 1.00 0.00 C ATOM 0 H PHE A 53 -12.926 -7.851 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.324 -8.531 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.719 -6.310 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.004 -6.959 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.974 -7.772 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.283 -4.668 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.782 -6.707 -8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.091 -3.603 -5.161 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.819 -4.633 -7.249 1.00 0.00 H new ATOM 862 N GLY A 54 -13.586 -10.606 -4.395 1.00 0.00 N ATOM 863 CA GLY A 54 -13.027 -11.665 -5.217 1.00 0.00 C ATOM 864 C GLY A 54 -11.504 -11.723 -5.075 1.00 0.00 C ATOM 865 O GLY A 54 -10.840 -10.688 -5.043 1.00 0.00 O ATOM 0 H GLY A 54 -13.927 -10.909 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.460 -12.622 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.293 -11.499 -6.261 1.00 0.00 H new ATOM 869 N PRO A 55 -10.983 -12.976 -4.990 1.00 0.00 N ATOM 870 CA PRO A 55 -9.551 -13.183 -4.852 1.00 0.00 C ATOM 871 C PRO A 55 -8.830 -12.935 -6.178 1.00 0.00 C ATOM 872 O PRO A 55 -9.367 -13.230 -7.245 1.00 0.00 O ATOM 873 CB PRO A 55 -9.406 -14.613 -4.355 1.00 0.00 C ATOM 874 CG PRO A 55 -10.723 -15.301 -4.677 1.00 0.00 C ATOM 875 CD PRO A 55 -11.739 -14.225 -5.024 1.00 0.00 C ATOM 0 HA PRO A 55 -9.091 -12.484 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.573 -15.115 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.205 -14.636 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.599 -15.992 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.065 -15.888 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.177 -14.396 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.560 -14.210 -4.308 1.00 0.00 H new ATOM 883 N SER A 56 -7.625 -12.395 -6.068 1.00 0.00 N ATOM 884 CA SER A 56 -6.826 -12.104 -7.246 1.00 0.00 C ATOM 885 C SER A 56 -5.355 -12.426 -6.972 1.00 0.00 C ATOM 886 O SER A 56 -4.873 -12.242 -5.856 1.00 0.00 O ATOM 887 CB SER A 56 -6.979 -10.641 -7.668 1.00 0.00 C ATOM 888 OG SER A 56 -7.416 -10.519 -9.019 1.00 0.00 O ATOM 0 H SER A 56 -7.183 -12.152 -5.182 1.00 0.00 H new ATOM 0 HA SER A 56 -7.183 -12.729 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.693 -10.146 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.025 -10.127 -7.547 1.00 0.00 H new ATOM 0 HG SER A 56 -7.503 -9.571 -9.250 1.00 0.00 H new ATOM 894 N PRO A 57 -4.665 -12.912 -8.039 1.00 0.00 N ATOM 895 CA PRO A 57 -3.259 -13.261 -7.924 1.00 0.00 C ATOM 896 C PRO A 57 -2.384 -12.007 -7.887 1.00 0.00 C ATOM 897 O PRO A 57 -2.857 -10.907 -8.170 1.00 0.00 O ATOM 898 CB PRO A 57 -2.975 -14.148 -9.126 1.00 0.00 C ATOM 899 CG PRO A 57 -4.101 -13.885 -10.113 1.00 0.00 C ATOM 900 CD PRO A 57 -5.203 -13.142 -9.376 1.00 0.00 C ATOM 0 HA PRO A 57 -3.030 -13.784 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.006 -13.911 -9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.946 -15.199 -8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.740 -13.295 -10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.479 -14.823 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.447 -12.202 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.120 -13.730 -9.338 1.00 0.00 H new ATOM 908 N CYS A 58 -1.124 -12.213 -7.535 1.00 0.00 N ATOM 909 CA CYS A 58 -0.179 -11.113 -7.457 1.00 0.00 C ATOM 910 C CYS A 58 1.216 -11.654 -7.778 1.00 0.00 C ATOM 911 O CYS A 58 1.473 -12.847 -7.627 1.00 0.00 O ATOM 912 CB CYS A 58 -0.223 -10.425 -6.090 1.00 0.00 C ATOM 913 SG CYS A 58 -1.921 -9.843 -5.737 1.00 0.00 S ATOM 0 H CYS A 58 -0.735 -13.126 -7.300 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.448 -10.348 -8.185 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.101 -11.118 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.469 -9.583 -6.075 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.673 -10.042 -6.778 1.00 0.00 H new ATOM 919 N GLN A 59 2.080 -10.749 -8.216 1.00 0.00 N ATOM 920 CA GLN A 59 3.442 -11.121 -8.560 1.00 0.00 C ATOM 921 C GLN A 59 4.383 -9.931 -8.361 1.00 0.00 C ATOM 922 O GLN A 59 4.219 -8.892 -8.998 1.00 0.00 O ATOM 923 CB GLN A 59 3.520 -11.648 -9.994 1.00 0.00 C ATOM 924 CG GLN A 59 4.969 -11.934 -10.395 1.00 0.00 C ATOM 925 CD GLN A 59 5.053 -13.153 -11.317 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.413 -14.246 -10.912 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.702 -12.904 -12.575 1.00 0.00 N ATOM 0 H GLN A 59 1.863 -9.760 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 59 3.758 -11.924 -7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.928 -12.559 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.087 -10.918 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.389 -11.063 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.570 -12.107 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.410 -11.965 -12.847 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.724 -13.652 -13.268 1.00 0.00 H new ATOM 936 N VAL A 60 5.348 -10.123 -7.474 1.00 0.00 N ATOM 937 CA VAL A 60 6.316 -9.079 -7.183 1.00 0.00 C ATOM 938 C VAL A 60 7.098 -8.745 -8.455 1.00 0.00 C ATOM 939 O VAL A 60 7.376 -9.627 -9.266 1.00 0.00 O ATOM 940 CB VAL A 60 7.216 -9.508 -6.023 1.00 0.00 C ATOM 941 CG1 VAL A 60 8.106 -8.352 -5.562 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.387 -10.059 -4.861 1.00 0.00 C ATOM 0 H VAL A 60 5.480 -10.986 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 60 5.810 -8.168 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 60 7.865 -10.308 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.736 -8.684 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.735 -8.025 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.482 -7.522 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.051 -10.357 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.702 -9.289 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.817 -10.924 -5.199 1.00 0.00 H new ATOM 952 N THR A 61 7.431 -7.470 -8.589 1.00 0.00 N ATOM 953 CA THR A 61 8.175 -7.009 -9.749 1.00 0.00 C ATOM 954 C THR A 61 9.575 -6.550 -9.336 1.00 0.00 C ATOM 955 O THR A 61 10.526 -6.678 -10.105 1.00 0.00 O ATOM 956 CB THR A 61 7.354 -5.915 -10.434 1.00 0.00 C ATOM 957 OG1 THR A 61 7.302 -4.866 -9.470 1.00 0.00 O ATOM 958 CG2 THR A 61 5.890 -6.316 -10.628 1.00 0.00 C ATOM 0 H THR A 61 7.199 -6.742 -7.914 1.00 0.00 H new ATOM 0 HA THR A 61 8.330 -7.815 -10.466 1.00 0.00 H new ATOM 0 HB THR A 61 7.797 -5.681 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.789 -4.114 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.352 -5.504 -11.118 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.837 -7.212 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.436 -6.518 -9.658 1.00 0.00 H new ATOM 966 N ASP A 62 9.656 -6.024 -8.122 1.00 0.00 N ATOM 967 CA ASP A 62 10.923 -5.545 -7.598 1.00 0.00 C ATOM 968 C ASP A 62 10.866 -5.533 -6.069 1.00 0.00 C ATOM 969 O ASP A 62 9.866 -5.118 -5.485 1.00 0.00 O ATOM 970 CB ASP A 62 11.212 -4.119 -8.071 1.00 0.00 C ATOM 971 CG ASP A 62 12.414 -3.979 -9.008 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.479 -4.526 -8.649 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.240 -3.329 -10.061 1.00 0.00 O ATOM 0 H ASP A 62 8.865 -5.919 -7.487 1.00 0.00 H new ATOM 0 HA ASP A 62 11.709 -6.210 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.328 -3.735 -8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.376 -3.489 -7.197 1.00 0.00 H new ATOM 978 N VAL A 63 11.951 -5.992 -5.464 1.00 0.00 N ATOM 979 CA VAL A 63 12.037 -6.039 -4.014 1.00 0.00 C ATOM 980 C VAL A 63 13.492 -6.268 -3.600 1.00 0.00 C ATOM 981 O VAL A 63 14.021 -7.367 -3.760 1.00 0.00 O ATOM 982 CB VAL A 63 11.085 -7.106 -3.468 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.419 -8.484 -4.043 1.00 0.00 C ATOM 984 CG2 VAL A 63 11.107 -7.129 -1.939 1.00 0.00 C ATOM 0 H VAL A 63 12.779 -6.335 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 63 11.722 -5.089 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 63 10.074 -6.848 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.728 -9.224 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.328 -8.457 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.439 -8.754 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.422 -7.896 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.116 -7.351 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.798 -6.156 -1.556 1.00 0.00 H new ATOM 994 N GLU A 64 14.098 -5.212 -3.077 1.00 0.00 N ATOM 995 CA GLU A 64 15.482 -5.284 -2.640 1.00 0.00 C ATOM 996 C GLU A 64 15.749 -4.241 -1.553 1.00 0.00 C ATOM 997 O GLU A 64 15.866 -3.052 -1.844 1.00 0.00 O ATOM 998 CB GLU A 64 16.440 -5.106 -3.819 1.00 0.00 C ATOM 999 CG GLU A 64 17.897 -5.196 -3.360 1.00 0.00 C ATOM 1000 CD GLU A 64 18.208 -6.583 -2.793 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.022 -6.750 -1.569 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.624 -7.444 -3.598 1.00 0.00 O ATOM 0 H GLU A 64 13.656 -4.302 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 64 15.659 -6.274 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.244 -5.871 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.263 -4.141 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.560 -4.985 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 64 18.091 -4.437 -2.602 1.00 0.00 H new ATOM 1009 N ARG A 65 15.839 -4.724 -0.323 1.00 0.00 N ATOM 1010 CA ARG A 65 16.091 -3.848 0.809 1.00 0.00 C ATOM 1011 C ARG A 65 14.992 -2.789 0.915 1.00 0.00 C ATOM 1012 O ARG A 65 14.192 -2.625 -0.005 1.00 0.00 O ATOM 1013 CB ARG A 65 17.448 -3.154 0.677 1.00 0.00 C ATOM 1014 CG ARG A 65 18.421 -3.642 1.752 1.00 0.00 C ATOM 1015 CD ARG A 65 19.377 -4.695 1.189 1.00 0.00 C ATOM 1016 NE ARG A 65 20.727 -4.113 1.018 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.834 -4.835 0.795 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.758 -6.170 0.713 1.00 0.00 N ATOM 1019 NH2 ARG A 65 23.016 -4.221 0.652 1.00 0.00 N ATOM 0 H ARG A 65 15.742 -5.711 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 65 16.096 -4.462 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.865 -3.348 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.318 -2.075 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.992 -2.799 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.863 -4.062 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.424 -5.552 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.006 -5.061 0.232 1.00 0.00 H new ATOM 0 HE ARG A 65 20.821 -3.099 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.858 -6.637 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.601 -6.719 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.073 -3.204 0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.859 -4.770 0.482 1.00 0.00 H new ATOM 1033 N PRO A 66 14.988 -2.080 2.076 1.00 0.00 N ATOM 1034 CA PRO A 66 14.000 -1.041 2.314 1.00 0.00 C ATOM 1035 C PRO A 66 14.322 0.217 1.506 1.00 0.00 C ATOM 1036 O PRO A 66 14.713 1.238 2.070 1.00 0.00 O ATOM 1037 CB PRO A 66 14.031 -0.807 3.816 1.00 0.00 C ATOM 1038 CG PRO A 66 15.351 -1.383 4.301 1.00 0.00 C ATOM 1039 CD PRO A 66 15.919 -2.248 3.187 1.00 0.00 C ATOM 0 HA PRO A 66 13.000 -1.328 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.960 0.256 4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.188 -1.296 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.046 -0.583 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.201 -1.974 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.925 -1.930 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.987 -3.292 3.492 1.00 0.00 H new ATOM 1047 N ILE A 67 14.146 0.103 0.198 1.00 0.00 N ATOM 1048 CA ILE A 67 14.413 1.219 -0.694 1.00 0.00 C ATOM 1049 C ILE A 67 13.377 1.225 -1.820 1.00 0.00 C ATOM 1050 O ILE A 67 12.804 2.267 -2.135 1.00 0.00 O ATOM 1051 CB ILE A 67 15.860 1.174 -1.189 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.212 -0.213 -1.731 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.828 1.625 -0.094 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.076 -0.257 -3.254 1.00 0.00 C ATOM 0 H ILE A 67 13.822 -0.745 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 67 14.312 2.165 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 67 15.960 1.877 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.232 -0.471 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.557 -0.960 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.850 1.584 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.592 2.647 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.733 0.966 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.332 -1.254 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.049 -0.023 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.750 0.474 -3.701 1.00 0.00 H new ATOM 1066 N LYS A 68 13.168 0.050 -2.395 1.00 0.00 N ATOM 1067 CA LYS A 68 12.211 -0.093 -3.479 1.00 0.00 C ATOM 1068 C LYS A 68 11.383 -1.361 -3.259 1.00 0.00 C ATOM 1069 O LYS A 68 11.913 -2.386 -2.833 1.00 0.00 O ATOM 1070 CB LYS A 68 12.924 -0.051 -4.832 1.00 0.00 C ATOM 1071 CG LYS A 68 11.940 -0.291 -5.979 1.00 0.00 C ATOM 1072 CD LYS A 68 12.466 0.303 -7.287 1.00 0.00 C ATOM 1073 CE LYS A 68 11.321 0.861 -8.134 1.00 0.00 C ATOM 1074 NZ LYS A 68 11.788 2.007 -8.947 1.00 0.00 N ATOM 0 H LYS A 68 13.645 -0.812 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 68 11.515 0.746 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.409 0.916 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.709 -0.807 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.774 -1.361 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.976 0.155 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.182 1.096 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.000 -0.463 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.929 0.080 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.502 1.176 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.998 2.374 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.140 2.757 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.554 1.696 -9.578 1.00 0.00 H new ATOM 1088 N LEU A 69 10.098 -1.249 -3.560 1.00 0.00 N ATOM 1089 CA LEU A 69 9.192 -2.373 -3.401 1.00 0.00 C ATOM 1090 C LEU A 69 7.964 -2.164 -4.289 1.00 0.00 C ATOM 1091 O LEU A 69 7.327 -1.112 -4.237 1.00 0.00 O ATOM 1092 CB LEU A 69 8.853 -2.583 -1.923 1.00 0.00 C ATOM 1093 CG LEU A 69 8.208 -3.924 -1.567 1.00 0.00 C ATOM 1094 CD1 LEU A 69 9.248 -5.046 -1.553 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.447 -3.832 -0.243 1.00 0.00 C ATOM 0 H LEU A 69 9.663 -0.397 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 69 9.670 -3.296 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.769 -2.477 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.182 -1.784 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 69 7.480 -4.169 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.763 -5.988 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.706 -5.130 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.016 -4.821 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.998 -4.798 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.136 -3.553 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.664 -3.079 -0.325 1.00 0.00 H new ATOM 1107 N SER A 70 7.668 -3.181 -5.085 1.00 0.00 N ATOM 1108 CA SER A 70 6.528 -3.121 -5.984 1.00 0.00 C ATOM 1109 C SER A 70 5.868 -4.498 -6.085 1.00 0.00 C ATOM 1110 O SER A 70 6.535 -5.522 -5.941 1.00 0.00 O ATOM 1111 CB SER A 70 6.946 -2.630 -7.372 1.00 0.00 C ATOM 1112 OG SER A 70 5.821 -2.326 -8.191 1.00 0.00 O ATOM 0 H SER A 70 8.198 -4.051 -5.126 1.00 0.00 H new ATOM 0 HA SER A 70 5.809 -2.409 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.571 -1.743 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.553 -3.393 -7.859 1.00 0.00 H new ATOM 0 HG SER A 70 5.588 -1.380 -8.089 1.00 0.00 H new ATOM 1118 N PHE A 71 4.567 -4.478 -6.331 1.00 0.00 N ATOM 1119 CA PHE A 71 3.809 -5.712 -6.453 1.00 0.00 C ATOM 1120 C PHE A 71 2.536 -5.495 -7.272 1.00 0.00 C ATOM 1121 O PHE A 71 1.864 -4.476 -7.124 1.00 0.00 O ATOM 1122 CB PHE A 71 3.423 -6.142 -5.036 1.00 0.00 C ATOM 1123 CG PHE A 71 2.192 -5.423 -4.482 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.948 -5.914 -4.731 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.340 -4.293 -3.740 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.195 -5.247 -4.217 1.00 0.00 C ATOM 1127 CE2 PHE A 71 1.197 -3.626 -3.226 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.047 -4.117 -3.475 1.00 0.00 C ATOM 0 H PHE A 71 4.018 -3.627 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 71 4.409 -6.469 -6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.237 -7.216 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.267 -5.962 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.830 -6.812 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.327 -3.903 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.182 -5.637 -4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.315 -2.728 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.916 -3.610 -3.084 1.00 0.00 H new ATOM 1138 N THR A 72 2.242 -6.471 -8.119 1.00 0.00 N ATOM 1139 CA THR A 72 1.060 -6.400 -8.962 1.00 0.00 C ATOM 1140 C THR A 72 -0.160 -6.946 -8.218 1.00 0.00 C ATOM 1141 O THR A 72 -0.019 -7.725 -7.276 1.00 0.00 O ATOM 1142 CB THR A 72 1.363 -7.145 -10.264 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.870 -8.405 -9.832 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.524 -6.522 -11.040 1.00 0.00 C ATOM 0 H THR A 72 2.802 -7.315 -8.240 1.00 0.00 H new ATOM 0 HA THR A 72 0.813 -5.368 -9.211 1.00 0.00 H new ATOM 0 HB THR A 72 0.472 -7.155 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.848 -8.405 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.696 -7.089 -11.955 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.280 -5.490 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.424 -6.542 -10.426 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.329 -6.517 -8.669 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.573 -6.953 -8.058 1.00 0.00 C ATOM 1154 C TRP A 73 -3.662 -6.927 -9.131 1.00 0.00 C ATOM 1155 O TRP A 73 -3.756 -5.973 -9.903 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.915 -6.095 -6.838 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.148 -6.572 -6.067 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.660 -7.809 -6.015 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.007 -5.765 -5.236 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.783 -7.858 -5.214 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.001 -6.575 -4.725 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.948 -4.395 -4.925 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.009 -6.108 -3.873 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.963 -3.944 -4.073 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.970 -4.747 -3.550 1.00 0.00 C ATOM 0 H TRP A 73 -1.441 -5.872 -9.451 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.481 -7.972 -7.681 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.059 -6.084 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.078 -5.068 -7.163 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.246 -8.661 -6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.349 -8.684 -5.017 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.180 -3.742 -5.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.776 -6.763 -3.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.964 -2.898 -3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.719 -4.323 -2.898 1.00 0.00 H new ATOM 1221 N TRP A 78 -3.658 -2.505 -12.156 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.496 -1.719 -10.945 1.00 0.00 C ATOM 1223 C TRP A 78 -2.214 -2.180 -10.249 1.00 0.00 C ATOM 1224 O TRP A 78 -2.136 -3.310 -9.770 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.734 -1.827 -10.052 1.00 0.00 C ATOM 1226 CG TRP A 78 -5.901 -0.943 -10.495 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.220 -0.560 -11.739 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -6.898 -0.343 -9.642 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.344 0.240 -11.750 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -7.770 0.376 -10.434 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.058 -0.406 -8.246 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -8.862 1.086 -9.922 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.154 0.310 -7.750 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.041 1.038 -8.534 1.00 0.00 C ATOM 0 HA TRP A 78 -3.400 -0.660 -11.183 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.065 -2.865 -10.032 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.457 -1.561 -9.032 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.666 -0.842 -12.622 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.782 0.655 -12.572 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.388 -0.963 -7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.531 1.641 -10.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.322 0.296 -6.683 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.865 1.564 -8.075 1.00 0.00 H new ATOM 1245 N SER A 79 -1.241 -1.282 -10.215 1.00 0.00 N ATOM 1246 CA SER A 79 0.033 -1.582 -9.585 1.00 0.00 C ATOM 1247 C SER A 79 0.393 -0.485 -8.581 1.00 0.00 C ATOM 1248 O SER A 79 0.170 0.696 -8.841 1.00 0.00 O ATOM 1249 CB SER A 79 1.142 -1.730 -10.629 1.00 0.00 C ATOM 1250 OG SER A 79 0.625 -2.074 -11.912 1.00 0.00 O ATOM 0 H SER A 79 -1.309 -0.346 -10.614 1.00 0.00 H new ATOM 0 HA SER A 79 -0.062 -2.531 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.699 -0.796 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.846 -2.496 -10.304 1.00 0.00 H new ATOM 0 HG SER A 79 1.364 -2.158 -12.551 1.00 0.00 H new ATOM 1256 N VAL A 80 0.943 -0.915 -7.455 1.00 0.00 N ATOM 1257 CA VAL A 80 1.335 0.015 -6.411 1.00 0.00 C ATOM 1258 C VAL A 80 2.804 -0.217 -6.052 1.00 0.00 C ATOM 1259 O VAL A 80 3.243 -1.359 -5.923 1.00 0.00 O ATOM 1260 CB VAL A 80 0.398 -0.120 -5.209 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.195 -1.590 -4.835 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.917 0.683 -4.015 1.00 0.00 C ATOM 0 H VAL A 80 1.126 -1.896 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 80 1.244 1.043 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.571 0.291 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.475 -1.658 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.241 -2.123 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.156 -2.037 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.232 0.569 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.904 0.316 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.986 1.736 -4.287 1.00 0.00 H new ATOM 1272 N THR A 81 3.525 0.885 -5.900 1.00 0.00 N ATOM 1273 CA THR A 81 4.935 0.815 -5.559 1.00 0.00 C ATOM 1274 C THR A 81 5.206 1.568 -4.255 1.00 0.00 C ATOM 1275 O THR A 81 4.734 2.689 -4.071 1.00 0.00 O ATOM 1276 CB THR A 81 5.736 1.351 -6.747 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.146 0.717 -7.878 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.183 0.852 -6.752 1.00 0.00 C ATOM 0 H THR A 81 3.158 1.831 -6.007 1.00 0.00 H new ATOM 0 HA THR A 81 5.247 -0.213 -5.375 1.00 0.00 H new ATOM 0 HB THR A 81 5.729 2.441 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.604 1.010 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.706 1.262 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.682 1.175 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.192 -0.237 -6.806 1.00 0.00 H new ATOM 1286 N PHE A 82 5.965 0.921 -3.382 1.00 0.00 N ATOM 1287 CA PHE A 82 6.304 1.515 -2.100 1.00 0.00 C ATOM 1288 C PHE A 82 7.762 1.978 -2.079 1.00 0.00 C ATOM 1289 O PHE A 82 8.634 1.321 -2.645 1.00 0.00 O ATOM 1290 CB PHE A 82 6.111 0.430 -1.039 1.00 0.00 C ATOM 1291 CG PHE A 82 4.702 -0.165 -1.007 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.635 0.630 -0.724 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.516 -1.488 -1.260 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.327 0.078 -0.694 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.207 -2.040 -1.230 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.141 -1.245 -0.948 1.00 0.00 C ATOM 0 H PHE A 82 6.355 -0.009 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 82 5.672 2.383 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.828 -0.371 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.340 0.849 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.783 1.681 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.363 -2.119 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.480 0.709 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.059 -3.091 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.146 -1.664 -0.926 1.00 0.00 H new ATOM 1306 N HIS A 83 7.982 3.106 -1.420 1.00 0.00 N ATOM 1307 CA HIS A 83 9.319 3.665 -1.318 1.00 0.00 C ATOM 1308 C HIS A 83 9.657 3.921 0.152 1.00 0.00 C ATOM 1309 O HIS A 83 9.004 4.728 0.812 1.00 0.00 O ATOM 1310 CB HIS A 83 9.452 4.920 -2.184 1.00 0.00 C ATOM 1311 CG HIS A 83 10.007 4.658 -3.563 1.00 0.00 C ATOM 1312 ND1 HIS A 83 11.310 4.245 -3.781 1.00 0.00 N ATOM 1313 CD2 HIS A 83 9.423 4.753 -4.792 1.00 0.00 C ATOM 1314 CE1 HIS A 83 11.491 4.102 -5.085 1.00 0.00 C ATOM 1315 NE2 HIS A 83 10.321 4.418 -5.711 1.00 0.00 N ATOM 0 H HIS A 83 7.256 3.648 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 83 10.046 2.950 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.472 5.388 -2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.098 5.635 -1.673 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.012 4.079 -3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.403 5.050 -4.985 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.405 3.790 -5.568 1.00 0.00 H new ATOM 1323 N LEU A 84 10.677 3.219 0.623 1.00 0.00 N ATOM 1324 CA LEU A 84 11.110 3.360 2.002 1.00 0.00 C ATOM 1325 C LEU A 84 12.481 4.037 2.036 1.00 0.00 C ATOM 1326 O LEU A 84 13.249 3.941 1.079 1.00 0.00 O ATOM 1327 CB LEU A 84 11.075 2.006 2.716 1.00 0.00 C ATOM 1328 CG LEU A 84 9.691 1.497 3.121 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.178 0.454 2.127 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.700 0.966 4.556 1.00 0.00 C ATOM 0 H LEU A 84 11.216 2.550 0.073 1.00 0.00 H new ATOM 0 HA LEU A 84 10.423 4.003 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.538 1.263 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.692 2.074 3.612 1.00 0.00 H new ATOM 0 HG LEU A 84 8.997 2.337 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.192 0.109 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.110 0.900 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.866 -0.391 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.704 0.610 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.411 0.144 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.991 1.765 5.238 1.00 0.00 H new ATOM 1342 N LYS A 85 12.748 4.708 3.147 1.00 0.00 N ATOM 1343 CA LYS A 85 14.013 5.401 3.317 1.00 0.00 C ATOM 1344 C LYS A 85 14.124 5.905 4.757 1.00 0.00 C ATOM 1345 O LYS A 85 13.360 6.774 5.175 1.00 0.00 O ATOM 1346 CB LYS A 85 14.166 6.503 2.267 1.00 0.00 C ATOM 1347 CG LYS A 85 13.038 7.530 2.381 1.00 0.00 C ATOM 1348 CD LYS A 85 13.006 8.448 1.158 1.00 0.00 C ATOM 1349 CE LYS A 85 13.295 9.898 1.552 1.00 0.00 C ATOM 1350 NZ LYS A 85 14.181 10.540 0.556 1.00 0.00 N ATOM 0 H LYS A 85 12.109 4.786 3.938 1.00 0.00 H new ATOM 0 HA LYS A 85 14.846 4.718 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.128 6.999 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.162 6.063 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.082 7.016 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.174 8.126 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.742 8.112 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.029 8.386 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.360 10.454 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.763 9.927 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.367 11.523 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.080 10.019 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.720 10.529 -0.376 1.00 0.00 H new ATOM 1364 N GLU A 86 15.081 5.339 5.477 1.00 0.00 N ATOM 1365 CA GLU A 86 15.302 5.720 6.862 1.00 0.00 C ATOM 1366 C GLU A 86 15.645 7.208 6.955 1.00 0.00 C ATOM 1367 O GLU A 86 16.462 7.709 6.184 1.00 0.00 O ATOM 1368 CB GLU A 86 16.398 4.863 7.498 1.00 0.00 C ATOM 1369 CG GLU A 86 16.166 4.705 9.003 1.00 0.00 C ATOM 1370 CD GLU A 86 17.244 5.438 9.803 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.371 5.544 9.274 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.916 5.877 10.927 1.00 0.00 O ATOM 0 H GLU A 86 15.713 4.619 5.127 1.00 0.00 H new ATOM 0 HA GLU A 86 14.381 5.545 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.418 3.881 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.371 5.322 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.183 5.096 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.169 3.647 9.266 1.00 0.00 H new ATOM 1379 N GLU A 87 15.005 7.872 7.905 1.00 0.00 N ATOM 1380 CA GLU A 87 15.232 9.293 8.109 1.00 0.00 C ATOM 1381 C GLU A 87 16.058 9.522 9.376 1.00 0.00 C ATOM 1382 O GLU A 87 16.517 8.568 10.003 1.00 0.00 O ATOM 1383 CB GLU A 87 13.908 10.057 8.171 1.00 0.00 C ATOM 1384 CG GLU A 87 13.875 11.181 7.134 1.00 0.00 C ATOM 1385 CD GLU A 87 13.908 12.553 7.811 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.036 12.778 8.678 1.00 0.00 O ATOM 1387 OE2 GLU A 87 14.803 13.345 7.446 1.00 0.00 O ATOM 0 H GLU A 87 14.329 7.453 8.543 1.00 0.00 H new ATOM 0 HA GLU A 87 15.795 9.677 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.079 9.371 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.771 10.474 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.726 11.084 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.975 11.093 6.526 1.00 0.00 H new ATOM 1394 N GLU A 88 16.221 10.792 9.717 1.00 0.00 N ATOM 1395 CA GLU A 88 16.982 11.158 10.899 1.00 0.00 C ATOM 1396 C GLU A 88 16.667 10.202 12.051 1.00 0.00 C ATOM 1397 O GLU A 88 17.479 9.343 12.389 1.00 0.00 O ATOM 1398 CB GLU A 88 16.709 12.609 11.299 1.00 0.00 C ATOM 1399 CG GLU A 88 17.644 13.568 10.560 1.00 0.00 C ATOM 1400 CD GLU A 88 18.604 14.256 11.532 1.00 0.00 C ATOM 1401 OE1 GLU A 88 18.923 13.621 12.560 1.00 0.00 O ATOM 1402 OE2 GLU A 88 18.997 15.402 11.225 1.00 0.00 O ATOM 0 H GLU A 88 15.839 11.581 9.195 1.00 0.00 H new ATOM 0 HA GLU A 88 18.043 11.074 10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.673 12.862 11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.841 12.724 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.213 13.020 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.057 14.319 10.031 1.00 0.00 H new ATOM 1409 N ASN A 89 15.485 10.384 12.621 1.00 0.00 N ATOM 1410 CA ASN A 89 15.052 9.548 13.729 1.00 0.00 C ATOM 1411 C ASN A 89 13.665 8.980 13.421 1.00 0.00 C ATOM 1412 O ASN A 89 12.712 9.226 14.160 1.00 0.00 O ATOM 1413 CB ASN A 89 14.956 10.356 15.024 1.00 0.00 C ATOM 1414 CG ASN A 89 16.311 10.420 15.732 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.040 11.394 15.645 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.605 9.331 16.436 1.00 0.00 N ATOM 0 H ASN A 89 14.814 11.097 12.337 1.00 0.00 H new ATOM 0 HA ASN A 89 15.784 8.750 13.856 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.610 11.365 14.802 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.217 9.903 15.685 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.487 9.276 16.946 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.949 8.551 16.466 1.00 0.00 H new ATOM 1423 N GLY A 90 13.595 8.232 12.331 1.00 0.00 N ATOM 1424 CA GLY A 90 12.340 7.627 11.917 1.00 0.00 C ATOM 1425 C GLY A 90 12.460 7.020 10.518 1.00 0.00 C ATOM 1426 O GLY A 90 13.524 7.072 9.903 1.00 0.00 O ATOM 0 H GLY A 90 14.387 8.030 11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.052 6.854 12.629 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.550 8.378 11.925 1.00 0.00 H new ATOM 1430 N THR A 91 11.352 6.457 10.055 1.00 0.00 N ATOM 1431 CA THR A 91 11.319 5.841 8.740 1.00 0.00 C ATOM 1432 C THR A 91 10.328 6.572 7.833 1.00 0.00 C ATOM 1433 O THR A 91 9.285 7.035 8.293 1.00 0.00 O ATOM 1434 CB THR A 91 10.996 4.356 8.922 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.121 3.839 9.627 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.001 3.590 7.598 1.00 0.00 C ATOM 0 H THR A 91 10.471 6.415 10.568 1.00 0.00 H new ATOM 0 HA THR A 91 12.285 5.920 8.242 1.00 0.00 H new ATOM 0 HB THR A 91 10.021 4.252 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.908 3.776 10.582 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.766 2.542 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.254 4.016 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.986 3.665 7.138 1.00 0.00 H new ATOM 1444 N ILE A 92 10.689 6.654 6.561 1.00 0.00 N ATOM 1445 CA ILE A 92 9.844 7.322 5.585 1.00 0.00 C ATOM 1446 C ILE A 92 9.138 6.271 4.725 1.00 0.00 C ATOM 1447 O ILE A 92 9.752 5.290 4.309 1.00 0.00 O ATOM 1448 CB ILE A 92 10.657 8.334 4.775 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.196 9.448 5.674 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.839 8.885 3.606 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.091 10.015 6.568 1.00 0.00 C ATOM 0 H ILE A 92 11.555 6.269 6.183 1.00 0.00 H new ATOM 0 HA ILE A 92 9.067 7.900 6.086 1.00 0.00 H new ATOM 0 HB ILE A 92 11.518 7.819 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.006 9.061 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.616 10.244 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.440 9.602 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.546 8.066 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.946 9.380 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.501 10.805 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.294 10.423 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.690 9.221 7.198 1.00 0.00 H new ATOM 1463 N PHE A 93 7.858 6.514 4.483 1.00 0.00 N ATOM 1464 CA PHE A 93 7.062 5.601 3.680 1.00 0.00 C ATOM 1465 C PHE A 93 6.272 6.358 2.611 1.00 0.00 C ATOM 1466 O PHE A 93 5.487 7.250 2.928 1.00 0.00 O ATOM 1467 CB PHE A 93 6.080 4.911 4.629 1.00 0.00 C ATOM 1468 CG PHE A 93 5.397 3.680 4.030 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.402 3.833 3.114 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.783 2.434 4.412 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.768 2.691 2.558 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.149 1.292 3.855 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.155 1.444 2.940 1.00 0.00 C ATOM 0 H PHE A 93 7.353 7.330 4.829 1.00 0.00 H new ATOM 0 HA PHE A 93 7.712 4.886 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.612 4.615 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.316 5.628 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.095 4.823 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.572 2.312 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.978 2.812 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.457 0.302 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.673 0.575 2.517 1.00 0.00 H new ATOM 1483 N THR A 94 6.508 5.974 1.365 1.00 0.00 N ATOM 1484 CA THR A 94 5.828 6.606 0.246 1.00 0.00 C ATOM 1485 C THR A 94 5.060 5.563 -0.569 1.00 0.00 C ATOM 1486 O THR A 94 5.626 4.552 -0.981 1.00 0.00 O ATOM 1487 CB THR A 94 6.873 7.367 -0.573 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.389 8.335 0.337 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.245 8.203 -1.690 1.00 0.00 C ATOM 0 H THR A 94 7.160 5.234 1.105 1.00 0.00 H new ATOM 0 HA THR A 94 5.080 7.320 0.590 1.00 0.00 H new ATOM 0 HB THR A 94 7.583 6.660 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.075 8.872 -0.111 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.029 8.723 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.697 7.550 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.561 8.933 -1.257 1.00 0.00 H new ATOM 1497 N ILE A 95 3.782 5.845 -0.776 1.00 0.00 N ATOM 1498 CA ILE A 95 2.930 4.945 -1.534 1.00 0.00 C ATOM 1499 C ILE A 95 2.608 5.575 -2.890 1.00 0.00 C ATOM 1500 O ILE A 95 2.482 6.794 -2.998 1.00 0.00 O ATOM 1501 CB ILE A 95 1.690 4.569 -0.720 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.586 4.021 -1.626 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.207 5.752 0.121 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.337 5.144 -2.106 1.00 0.00 C ATOM 0 H ILE A 95 3.316 6.684 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 95 3.448 4.007 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 95 1.964 3.773 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.031 3.519 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.005 3.274 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.325 5.458 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.997 6.057 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.955 6.586 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.113 4.728 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.799 5.628 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.243 5.877 -2.666 1.00 0.00 H new ATOM 1516 N VAL A 96 2.485 4.716 -3.891 1.00 0.00 N ATOM 1517 CA VAL A 96 2.180 5.174 -5.237 1.00 0.00 C ATOM 1518 C VAL A 96 1.164 4.225 -5.875 1.00 0.00 C ATOM 1519 O VAL A 96 1.360 3.010 -5.879 1.00 0.00 O ATOM 1520 CB VAL A 96 3.469 5.304 -6.050 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.165 5.664 -7.506 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.415 6.327 -5.418 1.00 0.00 C ATOM 0 H VAL A 96 2.591 3.706 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 96 1.727 6.165 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 96 3.969 4.336 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.099 5.750 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.548 4.884 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.632 6.614 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.324 6.400 -6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.926 7.300 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.670 6.010 -4.407 1.00 0.00 H new ATOM 1532 N HIS A 97 0.099 4.814 -6.399 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.948 4.037 -7.039 1.00 0.00 C ATOM 1534 C HIS A 97 -1.294 4.658 -8.394 1.00 0.00 C ATOM 1535 O HIS A 97 -1.530 5.862 -8.487 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.164 3.904 -6.120 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.899 2.592 -6.260 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.175 2.390 -5.764 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.524 1.418 -6.845 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.541 1.148 -6.043 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.516 0.547 -6.713 1.00 0.00 N ATOM 0 H HIS A 97 -0.061 5.821 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.592 3.024 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.839 4.018 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.856 4.720 -6.329 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.738 3.081 -5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.579 1.229 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.485 0.691 -5.785 1.00 0.00 H new ATOM 1549 N SER A 98 -1.313 3.809 -9.411 1.00 0.00 N ATOM 1550 CA SER A 98 -1.626 4.260 -10.756 1.00 0.00 C ATOM 1551 C SER A 98 -2.558 3.258 -11.440 1.00 0.00 C ATOM 1552 O SER A 98 -2.810 2.177 -10.910 1.00 0.00 O ATOM 1553 CB SER A 98 -0.353 4.451 -11.583 1.00 0.00 C ATOM 1554 OG SER A 98 0.603 5.267 -10.911 1.00 0.00 O ATOM 0 H SER A 98 -1.117 2.811 -9.330 1.00 0.00 H new ATOM 0 HA SER A 98 -2.129 5.224 -10.685 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.089 3.478 -11.799 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.608 4.905 -12.541 1.00 0.00 H new ATOM 0 HG SER A 98 1.402 5.364 -11.471 1.00 0.00 H new ATOM 1889 N MET A 121 -10.889 5.806 -2.398 1.00 0.00 N ATOM 1890 CA MET A 121 -9.684 4.996 -2.349 1.00 0.00 C ATOM 1891 C MET A 121 -8.484 5.825 -1.886 1.00 0.00 C ATOM 1892 O MET A 121 -7.766 5.426 -0.970 1.00 0.00 O ATOM 1893 CB MET A 121 -9.400 4.418 -3.737 1.00 0.00 C ATOM 1894 CG MET A 121 -9.961 3.000 -3.866 1.00 0.00 C ATOM 1895 SD MET A 121 -9.103 1.901 -2.750 1.00 0.00 S ATOM 1896 CE MET A 121 -9.054 0.422 -3.749 1.00 0.00 C ATOM 0 HA MET A 121 -9.841 4.188 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.843 5.059 -4.499 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.325 4.405 -3.917 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.028 3.000 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.851 2.648 -4.892 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.780 -0.429 -3.126 1.00 0.00 H new ATOM 0 HE2 MET A 121 -10.036 0.248 -4.190 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.316 0.543 -4.542 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.304 6.963 -2.540 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.204 7.851 -2.207 1.00 0.00 C ATOM 1908 C ASP A 122 -7.215 8.128 -0.702 1.00 0.00 C ATOM 1909 O ASP A 122 -6.179 8.041 -0.044 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.337 9.190 -2.935 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.229 10.202 -2.636 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.110 9.987 -3.152 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.525 11.167 -1.900 1.00 0.00 O ATOM 0 H ASP A 122 -8.902 7.290 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.276 7.366 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.357 9.002 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.296 9.636 -2.672 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.397 8.454 -0.202 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.557 8.744 1.213 1.00 0.00 C ATOM 1920 C ARG A 123 -8.228 7.505 2.049 1.00 0.00 C ATOM 1921 O ARG A 123 -7.491 7.592 3.030 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.984 9.197 1.525 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.200 10.654 1.111 1.00 0.00 C ATOM 1924 CD ARG A 123 -9.602 11.612 2.143 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.679 12.387 2.798 1.00 0.00 N ATOM 1926 CZ ARG A 123 -11.321 13.414 2.224 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -10.999 13.795 0.980 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -12.286 14.060 2.893 1.00 0.00 N ATOM 0 H ARG A 123 -9.254 8.524 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.869 9.551 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.695 8.557 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.180 9.085 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.742 10.831 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.267 10.851 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -9.041 11.051 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -8.899 12.289 1.658 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.950 12.123 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.265 13.303 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -11.488 14.577 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.532 13.770 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -12.774 14.842 2.456 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.790 6.381 1.630 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.566 5.127 2.328 1.00 0.00 C ATOM 1944 C GLY A 124 -7.088 4.734 2.288 1.00 0.00 C ATOM 1945 O GLY A 124 -6.535 4.280 3.289 1.00 0.00 O ATOM 0 H GLY A 124 -9.400 6.313 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.894 5.219 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.168 4.341 1.872 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.490 4.922 1.121 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.086 4.593 0.937 1.00 0.00 C ATOM 1951 C TRP A 125 -4.280 5.360 1.988 1.00 0.00 C ATOM 1952 O TRP A 125 -3.535 4.761 2.761 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.636 4.889 -0.495 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.500 3.645 -1.374 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.249 3.293 -2.428 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.521 2.595 -1.232 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.826 2.098 -2.974 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.741 1.660 -2.223 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.482 2.439 -0.297 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.965 0.505 -2.374 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.716 1.280 -0.461 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.925 0.329 -1.453 1.00 0.00 C ATOM 0 H TRP A 125 -6.952 5.298 0.293 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.918 3.525 1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.351 5.571 -0.956 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.677 5.406 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.080 3.872 -2.803 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.234 1.624 -3.780 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.291 3.158 0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.158 -0.212 -3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.905 1.112 0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.288 -0.541 -1.513 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.456 6.673 1.981 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.754 7.527 2.923 1.00 0.00 C ATOM 1975 C HIS A 126 -4.064 7.078 4.352 1.00 0.00 C ATOM 1976 O HIS A 126 -3.152 6.827 5.140 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.092 8.999 2.678 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.064 9.964 3.219 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.716 9.657 3.297 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.199 11.230 3.707 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.079 10.699 3.811 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.000 11.673 4.065 1.00 0.00 N ATOM 0 H HIS A 126 -5.075 7.166 1.338 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.678 7.431 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.200 9.163 1.606 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.058 9.220 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.125 11.780 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.017 10.766 3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.800 12.590 4.464 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.353 6.990 4.644 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.795 6.575 5.965 1.00 0.00 C ATOM 1992 C ASP A 127 -5.130 5.244 6.326 1.00 0.00 C ATOM 1993 O ASP A 127 -4.649 5.070 7.444 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.311 6.371 6.000 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.128 7.641 6.246 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.650 8.715 5.820 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.212 7.509 6.854 1.00 0.00 O ATOM 0 H ASP A 127 -6.106 7.199 3.989 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.520 7.356 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.626 5.932 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.547 5.648 6.781 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.126 4.340 5.357 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.529 3.031 5.559 1.00 0.00 C ATOM 2004 C LEU A 128 -3.038 3.196 5.860 1.00 0.00 C ATOM 2005 O LEU A 128 -2.533 2.639 6.834 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.818 2.121 4.363 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.899 0.907 4.207 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.234 -0.170 5.240 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.945 0.365 2.777 1.00 0.00 C ATOM 0 H LEU A 128 -5.526 4.488 4.431 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.976 2.537 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.846 1.766 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.756 2.718 3.453 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.874 1.227 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.567 -1.022 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.108 0.237 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.266 -0.494 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.283 -0.497 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.964 0.065 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.620 1.140 2.083 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.376 3.964 5.008 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.953 4.209 5.171 1.00 0.00 C ATOM 2023 C VAL A 129 -0.751 5.471 6.011 1.00 0.00 C ATOM 2024 O VAL A 129 0.188 6.232 5.780 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.276 4.288 3.801 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.672 5.570 3.066 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.245 4.180 3.935 1.00 0.00 C ATOM 0 H VAL A 129 -2.799 4.425 4.202 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.481 3.384 5.705 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.622 3.442 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.177 5.601 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.752 5.588 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.369 6.436 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.702 4.239 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.615 4.997 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.503 3.227 4.398 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.647 5.655 6.970 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.578 6.812 7.846 1.00 0.00 C ATOM 2039 C ASN A 130 -1.477 6.341 9.299 1.00 0.00 C ATOM 2040 O ASN A 130 -0.464 6.568 9.959 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.833 7.677 7.716 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.559 8.916 6.862 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.290 9.241 5.941 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.468 9.588 7.218 1.00 0.00 N ATOM 0 H ASN A 130 -2.424 5.022 7.159 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.705 7.399 7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.637 7.093 7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.173 7.981 8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.199 10.431 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -0.900 9.261 7.999 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.540 5.694 9.753 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.584 5.190 11.115 1.00 0.00 C ATOM 2053 C GLU A 131 -2.449 3.665 11.120 1.00 0.00 C ATOM 2054 O GLU A 131 -1.521 3.123 11.718 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.868 5.629 11.821 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.154 7.110 11.567 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.091 7.912 12.868 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.809 7.518 13.813 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -3.327 8.901 12.889 1.00 0.00 O ATOM 0 H GLU A 131 -3.378 5.507 9.202 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.744 5.612 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.705 5.027 11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.777 5.451 12.893 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.430 7.507 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.139 7.221 11.114 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.389 3.017 10.448 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.387 1.567 10.368 1.00 0.00 C ATOM 2068 C ARG A 132 -1.952 1.043 10.273 1.00 0.00 C ATOM 2069 O ARG A 132 -1.503 0.292 11.138 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.181 1.080 9.155 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.674 1.375 9.323 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.473 0.081 9.486 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.058 0.015 10.844 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.215 0.595 11.191 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.918 1.286 10.284 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -8.670 0.483 12.447 1.00 0.00 N ATOM 0 H ARG A 132 -4.158 3.470 9.954 1.00 0.00 H new ATOM 0 HA ARG A 132 -3.859 1.185 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.810 1.567 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.031 0.008 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.827 2.013 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.039 1.926 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.264 0.036 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -5.826 -0.780 9.318 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.549 -0.504 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.573 1.371 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.799 1.727 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -8.136 -0.044 13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -9.551 0.924 12.712 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.273 1.458 9.214 1.00 0.00 N ATOM 2091 CA LEU A 133 0.101 1.040 8.994 1.00 0.00 C ATOM 2092 C LEU A 133 0.961 1.490 10.177 1.00 0.00 C ATOM 2093 O LEU A 133 1.730 0.702 10.725 1.00 0.00 O ATOM 2094 CB LEU A 133 0.604 1.545 7.640 1.00 0.00 C ATOM 2095 CG LEU A 133 2.122 1.537 7.444 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.663 0.106 7.410 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.517 2.329 6.196 1.00 0.00 C ATOM 0 H LEU A 133 -1.649 2.080 8.498 1.00 0.00 H new ATOM 0 HA LEU A 133 0.166 -0.047 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.153 0.936 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.244 2.564 7.498 1.00 0.00 H new ATOM 0 HG LEU A 133 2.580 2.034 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.744 0.129 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.430 -0.394 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.202 -0.438 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.601 2.308 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.049 1.883 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.183 3.362 6.300 1.00 0.00 H new ATOM 2109 N ARG A 134 0.803 2.756 10.535 1.00 0.00 N ATOM 2110 CA ARG A 134 1.556 3.320 11.642 1.00 0.00 C ATOM 2111 C ARG A 134 1.399 2.448 12.890 1.00 0.00 C ATOM 2112 O ARG A 134 2.320 2.343 13.698 1.00 0.00 O ATOM 2113 CB ARG A 134 1.087 4.741 11.960 1.00 0.00 C ATOM 2114 CG ARG A 134 2.004 5.403 12.991 1.00 0.00 C ATOM 2115 CD ARG A 134 1.212 6.338 13.908 1.00 0.00 C ATOM 2116 NE ARG A 134 1.428 7.745 13.505 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.532 8.448 13.793 1.00 0.00 C ATOM 2118 NH1 ARG A 134 3.526 7.879 14.489 1.00 0.00 N ATOM 2119 NH2 ARG A 134 2.641 9.721 13.387 1.00 0.00 N ATOM 0 H ARG A 134 0.165 3.407 10.078 1.00 0.00 H new ATOM 0 HA ARG A 134 2.605 3.353 11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.072 5.336 11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.066 4.714 12.340 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.500 4.637 13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.786 5.965 12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.150 6.096 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.524 6.196 14.943 1.00 0.00 H new ATOM 0 HE ARG A 134 0.690 8.209 12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 134 3.442 6.911 14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 134 4.366 8.414 14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 134 1.884 10.155 12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 134 3.481 10.256 13.606 1.00 0.00 H new ATOM 2133 N GLN A 135 0.225 1.844 13.007 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.064 0.985 14.142 1.00 0.00 C ATOM 2135 C GLN A 135 0.724 -0.323 14.032 1.00 0.00 C ATOM 2136 O GLN A 135 1.044 -0.945 15.044 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.565 0.712 14.255 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.087 1.086 15.644 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.528 0.608 15.835 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.883 -0.517 15.522 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.336 1.522 16.364 1.00 0.00 N ATOM 0 H GLN A 135 -0.537 1.933 12.334 1.00 0.00 H new ATOM 0 HA GLN A 135 0.248 1.500 15.051 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.100 1.282 13.496 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.762 -0.342 14.060 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.449 0.642 16.408 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.038 2.167 15.776 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.974 2.445 16.603 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.317 1.300 16.531 1.00 0.00 H new ATOM 2150 N ILE A 136 1.013 -0.700 12.796 1.00 0.00 N ATOM 2151 CA ILE A 136 1.757 -1.922 12.541 1.00 0.00 C ATOM 2152 C ILE A 136 3.129 -1.827 13.209 1.00 0.00 C ATOM 2153 O ILE A 136 3.738 -2.845 13.533 1.00 0.00 O ATOM 2154 CB ILE A 136 1.822 -2.206 11.039 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.422 -2.219 10.422 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.585 -3.502 10.759 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.447 -3.306 11.058 1.00 0.00 C ATOM 0 H ILE A 136 0.746 -0.181 11.960 1.00 0.00 H new ATOM 0 HA ILE A 136 1.246 -2.778 12.982 1.00 0.00 H new ATOM 0 HB ILE A 136 2.376 -1.397 10.562 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.049 -1.245 10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.496 -2.389 9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.617 -3.681 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.602 -3.416 11.143 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.081 -4.334 11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.437 -3.294 10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.014 -4.281 10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.538 -3.119 12.128 1.00 0.00 H new ATOM 2169 N VAL A 137 3.577 -0.594 13.396 1.00 0.00 N ATOM 2170 CA VAL A 137 4.867 -0.352 14.020 1.00 0.00 C ATOM 2171 C VAL A 137 4.651 0.243 15.413 1.00 0.00 C ATOM 2172 O VAL A 137 5.509 0.115 16.286 1.00 0.00 O ATOM 2173 CB VAL A 137 5.727 0.534 13.117 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.933 -0.114 11.747 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.117 1.930 12.977 1.00 0.00 C ATOM 0 H VAL A 137 3.069 0.249 13.126 1.00 0.00 H new ATOM 0 HA VAL A 137 5.412 -1.288 14.148 1.00 0.00 H new ATOM 0 HB VAL A 137 6.705 0.641 13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.548 0.537 11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.432 -1.075 11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.966 -0.266 11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.748 2.540 12.330 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.121 1.850 12.541 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.047 2.397 13.960 1.00 0.00 H new ATOM 2185 N GLU A 138 3.502 0.881 15.577 1.00 0.00 N ATOM 2186 CA GLU A 138 3.163 1.496 16.849 1.00 0.00 C ATOM 2187 C GLU A 138 2.207 0.597 17.636 1.00 0.00 C ATOM 2188 O GLU A 138 1.528 1.058 18.552 1.00 0.00 O ATOM 2189 CB GLU A 138 2.561 2.887 16.642 1.00 0.00 C ATOM 2190 CG GLU A 138 3.648 3.910 16.306 1.00 0.00 C ATOM 2191 CD GLU A 138 3.684 5.033 17.345 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.381 4.730 18.519 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.014 6.169 16.941 1.00 0.00 O ATOM 0 H GLU A 138 2.794 0.986 14.850 1.00 0.00 H new ATOM 0 HA GLU A 138 4.079 1.614 17.428 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.827 2.853 15.837 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.032 3.196 17.543 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.618 3.415 16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.464 4.330 15.317 1.00 0.00 H new