USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 652 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 77 MET CE :methyl 135:sc= -4.44! (180deg=-8.04!) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.75 K(o=-6.2,f=-7) USER MOD Set 2.1: A 31 ASN : amide:sc= -4.94 K(o=-5,f=-9.1!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 157:sc= -0.0356 (180deg=0) USER MOD Set 3.1: A 47 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.9!) USER MOD Set 3.2: A 97 THR OG1 : rot 18:sc= 0.0428 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.302 (180deg=-0.534) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0588 F(o=-1.3,f=-0.059) USER MOD Single : A 27 ASN : amide:sc= 0.0633 X(o=0.063,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : A 48 TYR OH : rot -3:sc= -2.08! USER MOD Single : A 50 MET CE :methyl 145:sc= -3.67! (180deg=-7.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.647! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.449 F(o=-1.2,f=-0.45) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 76 SER OG : rot -171:sc= -0.124 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.185 5.738 5.988 1.00 0.00 N ATOM 95 CA GLN A 7 -10.281 5.543 4.551 1.00 0.00 C ATOM 96 C GLN A 7 -9.673 6.736 3.811 1.00 0.00 C ATOM 97 O GLN A 7 -10.272 7.810 3.761 1.00 0.00 O ATOM 98 CB GLN A 7 -11.732 5.314 4.125 1.00 0.00 C ATOM 99 CG GLN A 7 -12.591 6.545 4.419 1.00 0.00 C ATOM 100 CD GLN A 7 -14.077 6.182 4.454 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.688 6.061 5.502 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.621 6.016 3.252 1.00 0.00 N ATOM 0 HA GLN A 7 -9.714 4.650 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.770 5.086 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.137 4.450 4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.296 6.978 5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.417 7.305 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.051 6.133 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.608 5.772 3.168 1.00 0.00 H new ATOM 111 N PHE A 8 -8.492 6.508 3.256 1.00 0.00 N ATOM 112 CA PHE A 8 -7.798 7.552 2.521 1.00 0.00 C ATOM 113 C PHE A 8 -8.068 7.438 1.019 1.00 0.00 C ATOM 114 O PHE A 8 -8.140 6.335 0.479 1.00 0.00 O ATOM 115 CB PHE A 8 -6.301 7.356 2.773 1.00 0.00 C ATOM 116 CG PHE A 8 -5.747 6.034 2.238 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.674 5.820 0.897 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.328 5.072 3.104 1.00 0.00 C ATOM 119 CE1 PHE A 8 -5.160 4.593 0.401 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.814 3.845 2.607 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.741 3.632 1.266 1.00 0.00 C ATOM 0 H PHE A 8 -7.998 5.617 3.300 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.143 8.532 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.755 8.180 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.114 7.409 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.007 6.583 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.386 5.241 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.102 4.423 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.481 3.081 3.294 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.350 2.699 0.888 1.00 0.00 H new ATOM 131 N ILE A 9 -8.211 8.593 0.387 1.00 0.00 N ATOM 132 CA ILE A 9 -8.472 8.637 -1.042 1.00 0.00 C ATOM 133 C ILE A 9 -7.144 8.599 -1.800 1.00 0.00 C ATOM 134 O ILE A 9 -6.385 9.567 -1.780 1.00 0.00 O ATOM 135 CB ILE A 9 -9.345 9.845 -1.390 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.797 9.611 -0.970 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.227 10.197 -2.874 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.584 8.913 -2.082 1.00 0.00 C ATOM 0 H ILE A 9 -8.151 9.506 0.838 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.042 7.761 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.981 10.704 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.824 9.005 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.268 10.564 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.857 11.059 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.190 10.436 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.550 9.348 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.613 8.759 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.575 9.533 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.125 7.949 -2.303 1.00 0.00 H new ATOM 150 N PHE A 10 -6.903 7.471 -2.452 1.00 0.00 N ATOM 151 CA PHE A 10 -5.680 7.294 -3.215 1.00 0.00 C ATOM 152 C PHE A 10 -5.829 6.164 -4.236 1.00 0.00 C ATOM 153 O PHE A 10 -6.594 5.225 -4.020 1.00 0.00 O ATOM 154 CB PHE A 10 -4.580 6.924 -2.218 1.00 0.00 C ATOM 155 CG PHE A 10 -3.321 6.345 -2.867 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.571 7.114 -3.702 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.951 5.062 -2.609 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.403 6.577 -4.304 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.782 4.525 -3.211 1.00 0.00 C ATOM 160 CZ PHE A 10 -1.033 5.294 -4.046 1.00 0.00 C ATOM 0 H PHE A 10 -7.535 6.670 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.445 8.209 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.307 7.812 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.977 6.199 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.864 8.133 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.546 4.451 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.808 7.187 -4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.488 3.506 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.144 4.886 -4.504 1.00 0.00 H new ATOM 170 N LYS A 11 -5.085 6.291 -5.325 1.00 0.00 N ATOM 171 CA LYS A 11 -5.124 5.291 -6.379 1.00 0.00 C ATOM 172 C LYS A 11 -3.700 4.832 -6.694 1.00 0.00 C ATOM 173 O LYS A 11 -2.819 5.654 -6.940 1.00 0.00 O ATOM 174 CB LYS A 11 -5.882 5.826 -7.596 1.00 0.00 C ATOM 175 CG LYS A 11 -7.300 6.255 -7.215 1.00 0.00 C ATOM 176 CD LYS A 11 -8.250 5.056 -7.202 1.00 0.00 C ATOM 177 CE LYS A 11 -9.181 5.107 -5.988 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.566 4.768 -6.383 1.00 0.00 N ATOM 0 H LYS A 11 -4.452 7.071 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.676 4.411 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.344 6.674 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.926 5.058 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.290 6.726 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.660 7.002 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.841 5.046 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.674 4.131 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.833 4.410 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.156 6.102 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.185 4.807 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.901 5.449 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.588 3.809 -6.785 1.00 0.00 H new ATOM 192 N VAL A 12 -3.517 3.520 -6.676 1.00 0.00 N ATOM 193 CA VAL A 12 -2.214 2.941 -6.957 1.00 0.00 C ATOM 194 C VAL A 12 -2.343 1.940 -8.107 1.00 0.00 C ATOM 195 O VAL A 12 -3.323 1.201 -8.184 1.00 0.00 O ATOM 196 CB VAL A 12 -1.633 2.320 -5.685 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.047 0.853 -5.553 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.110 2.465 -5.652 1.00 0.00 C ATOM 0 H VAL A 12 -4.250 2.841 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.513 3.713 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.040 2.861 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.621 0.435 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.134 0.784 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.681 0.293 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.279 2.016 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.322 1.961 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.156 3.522 -5.678 1.00 0.00 H new ATOM 208 N THR A 13 -1.339 1.948 -8.971 1.00 0.00 N ATOM 209 CA THR A 13 -1.327 1.049 -10.113 1.00 0.00 C ATOM 210 C THR A 13 -1.272 -0.407 -9.645 1.00 0.00 C ATOM 211 O THR A 13 -0.799 -0.692 -8.547 1.00 0.00 O ATOM 212 CB THR A 13 -0.154 1.443 -11.012 1.00 0.00 C ATOM 213 OG1 THR A 13 0.999 1.074 -10.261 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.024 2.959 -11.175 1.00 0.00 C ATOM 0 H THR A 13 -0.528 2.563 -8.904 1.00 0.00 H new ATOM 0 HA THR A 13 -2.245 1.136 -10.695 1.00 0.00 H new ATOM 0 HB THR A 13 -0.278 0.982 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.806 1.293 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.824 3.184 -11.822 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.936 3.357 -11.620 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.133 3.418 -10.199 1.00 0.00 H new ATOM 222 N ASP A 14 -1.763 -1.289 -10.503 1.00 0.00 N ATOM 223 CA ASP A 14 -1.776 -2.708 -10.192 1.00 0.00 C ATOM 224 C ASP A 14 -0.339 -3.198 -10.007 1.00 0.00 C ATOM 225 O ASP A 14 -0.104 -4.209 -9.346 1.00 0.00 O ATOM 226 CB ASP A 14 -2.409 -3.515 -11.327 1.00 0.00 C ATOM 227 CG ASP A 14 -3.926 -3.688 -11.231 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.575 -2.739 -10.738 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.403 -4.764 -11.652 1.00 0.00 O ATOM 0 H ASP A 14 -2.155 -1.048 -11.413 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.359 -2.848 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.173 -3.028 -12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.947 -4.502 -11.352 1.00 0.00 H new ATOM 234 N LYS A 15 0.586 -2.460 -10.603 1.00 0.00 N ATOM 235 CA LYS A 15 1.994 -2.807 -10.512 1.00 0.00 C ATOM 236 C LYS A 15 2.450 -2.691 -9.056 1.00 0.00 C ATOM 237 O LYS A 15 3.226 -3.517 -8.578 1.00 0.00 O ATOM 238 CB LYS A 15 2.818 -1.960 -11.484 1.00 0.00 C ATOM 239 CG LYS A 15 3.940 -2.786 -12.116 1.00 0.00 C ATOM 240 CD LYS A 15 4.957 -3.227 -11.060 1.00 0.00 C ATOM 241 CE LYS A 15 5.020 -4.753 -10.964 1.00 0.00 C ATOM 242 NZ LYS A 15 6.367 -5.189 -10.533 1.00 0.00 N ATOM 0 H LYS A 15 0.388 -1.623 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 15 2.152 -3.842 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.170 -1.563 -12.265 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.243 -1.106 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.518 -3.662 -12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.441 -2.198 -12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.942 -2.834 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.685 -2.809 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.272 -5.110 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.780 -5.195 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.393 -6.227 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.074 -4.864 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.581 -4.783 -9.600 1.00 0.00 H new ATOM 256 N ALA A 16 1.950 -1.659 -8.393 1.00 0.00 N ATOM 257 CA ALA A 16 2.297 -1.425 -7.001 1.00 0.00 C ATOM 258 C ALA A 16 1.614 -2.478 -6.126 1.00 0.00 C ATOM 259 O ALA A 16 2.265 -3.125 -5.306 1.00 0.00 O ATOM 260 CB ALA A 16 1.904 0.001 -6.610 1.00 0.00 C ATOM 0 H ALA A 16 1.308 -0.975 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 16 3.373 -1.520 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.164 0.177 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.437 0.712 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.830 0.132 -6.743 1.00 0.00 H new ATOM 266 N VAL A 17 0.313 -2.618 -6.330 1.00 0.00 N ATOM 267 CA VAL A 17 -0.465 -3.582 -5.569 1.00 0.00 C ATOM 268 C VAL A 17 0.065 -4.990 -5.846 1.00 0.00 C ATOM 269 O VAL A 17 0.472 -5.696 -4.925 1.00 0.00 O ATOM 270 CB VAL A 17 -1.952 -3.427 -5.894 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.613 -4.792 -6.097 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.670 -2.627 -4.807 1.00 0.00 C ATOM 0 H VAL A 17 -0.223 -2.080 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.360 -3.400 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.035 -2.872 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.670 -4.654 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.127 -5.312 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.514 -5.383 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.725 -2.532 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.573 -3.143 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.224 -1.635 -4.731 1.00 0.00 H new ATOM 282 N GLU A 18 0.043 -5.356 -7.119 1.00 0.00 N ATOM 283 CA GLU A 18 0.516 -6.667 -7.529 1.00 0.00 C ATOM 284 C GLU A 18 1.946 -6.894 -7.036 1.00 0.00 C ATOM 285 O GLU A 18 2.377 -8.034 -6.873 1.00 0.00 O ATOM 286 CB GLU A 18 0.427 -6.832 -9.048 1.00 0.00 C ATOM 287 CG GLU A 18 1.619 -6.171 -9.742 1.00 0.00 C ATOM 288 CD GLU A 18 2.712 -7.197 -10.051 1.00 0.00 C ATOM 289 OE1 GLU A 18 2.598 -7.843 -11.115 1.00 0.00 O ATOM 290 OE2 GLU A 18 3.635 -7.311 -9.217 1.00 0.00 O ATOM 0 H GLU A 18 -0.295 -4.767 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.127 -7.421 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.396 -7.892 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.501 -6.390 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.289 -5.696 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.024 -5.384 -9.106 1.00 0.00 H new ATOM 297 N GLU A 19 2.643 -5.789 -6.812 1.00 0.00 N ATOM 298 CA GLU A 19 4.016 -5.853 -6.341 1.00 0.00 C ATOM 299 C GLU A 19 4.051 -6.226 -4.858 1.00 0.00 C ATOM 300 O GLU A 19 5.086 -6.651 -4.345 1.00 0.00 O ATOM 301 CB GLU A 19 4.743 -4.530 -6.591 1.00 0.00 C ATOM 302 CG GLU A 19 5.963 -4.394 -5.677 1.00 0.00 C ATOM 303 CD GLU A 19 6.952 -5.538 -5.910 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.775 -6.244 -6.926 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.864 -5.681 -5.066 1.00 0.00 O ATOM 0 H GLU A 19 2.282 -4.845 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 19 4.537 -6.628 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.057 -4.475 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.061 -3.698 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.456 -3.439 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.643 -4.392 -4.635 1.00 0.00 H new ATOM 312 N ILE A 20 2.908 -6.055 -4.210 1.00 0.00 N ATOM 313 CA ILE A 20 2.795 -6.369 -2.795 1.00 0.00 C ATOM 314 C ILE A 20 2.630 -7.880 -2.624 1.00 0.00 C ATOM 315 O ILE A 20 3.401 -8.515 -1.907 1.00 0.00 O ATOM 316 CB ILE A 20 1.674 -5.550 -2.153 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.782 -4.074 -2.539 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.652 -5.746 -0.636 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.245 -3.632 -2.614 1.00 0.00 C ATOM 0 H ILE A 20 2.052 -5.703 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 20 3.706 -6.087 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 20 0.722 -5.914 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.299 -3.910 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.251 -3.464 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.846 -5.153 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.490 -6.799 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.604 -5.426 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.293 -2.579 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.718 -3.774 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.767 -4.228 -3.363 1.00 0.00 H new ATOM 331 N LYS A 21 1.619 -8.412 -3.296 1.00 0.00 N ATOM 332 CA LYS A 21 1.342 -9.837 -3.227 1.00 0.00 C ATOM 333 C LYS A 21 2.582 -10.615 -3.673 1.00 0.00 C ATOM 334 O LYS A 21 2.744 -11.784 -3.326 1.00 0.00 O ATOM 335 CB LYS A 21 0.082 -10.177 -4.026 1.00 0.00 C ATOM 336 CG LYS A 21 0.237 -9.773 -5.493 1.00 0.00 C ATOM 337 CD LYS A 21 -1.128 -9.579 -6.156 1.00 0.00 C ATOM 338 CE LYS A 21 -1.976 -8.569 -5.379 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.029 -9.263 -4.605 1.00 0.00 N ATOM 0 H LYS A 21 0.982 -7.882 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 21 1.130 -10.135 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.118 -11.246 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.777 -9.664 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.813 -8.850 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.799 -10.539 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.993 -9.234 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.650 -10.534 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.341 -7.994 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.432 -7.860 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.235 -8.725 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.892 -9.336 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.701 -10.217 -4.350 1.00 0.00 H new ATOM 353 N LYS A 22 3.425 -9.935 -4.437 1.00 0.00 N ATOM 354 CA LYS A 22 4.645 -10.547 -4.934 1.00 0.00 C ATOM 355 C LYS A 22 5.626 -10.735 -3.775 1.00 0.00 C ATOM 356 O LYS A 22 6.158 -11.826 -3.578 1.00 0.00 O ATOM 357 CB LYS A 22 5.216 -9.735 -6.098 1.00 0.00 C ATOM 358 CG LYS A 22 5.320 -10.589 -7.363 1.00 0.00 C ATOM 359 CD LYS A 22 6.621 -10.299 -8.115 1.00 0.00 C ATOM 360 CE LYS A 22 7.296 -11.597 -8.563 1.00 0.00 C ATOM 361 NZ LYS A 22 8.062 -11.379 -9.811 1.00 0.00 N ATOM 0 H LYS A 22 3.287 -8.966 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 22 4.437 -11.537 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.580 -8.871 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.201 -9.353 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.277 -11.645 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.468 -10.389 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.412 -9.675 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.298 -9.735 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.962 -11.957 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.543 -12.369 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.514 -12.270 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.418 -11.057 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.793 -10.657 -9.648 1.00 0.00 H new ATOM 375 N VAL A 23 5.835 -9.654 -3.038 1.00 0.00 N ATOM 376 CA VAL A 23 6.742 -9.685 -1.904 1.00 0.00 C ATOM 377 C VAL A 23 6.127 -10.531 -0.787 1.00 0.00 C ATOM 378 O VAL A 23 6.844 -11.070 0.054 1.00 0.00 O ATOM 379 CB VAL A 23 7.074 -8.259 -1.459 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.241 -8.183 0.060 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.321 -7.737 -2.175 1.00 0.00 C ATOM 0 H VAL A 23 5.391 -8.751 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 23 7.686 -10.152 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 23 6.237 -7.619 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.476 -7.159 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.315 -8.493 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.051 -8.843 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.535 -6.722 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.169 -8.381 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.149 -7.736 -3.251 1.00 0.00 H new ATOM 391 N ALA A 24 4.806 -10.622 -0.816 1.00 0.00 N ATOM 392 CA ALA A 24 4.086 -11.393 0.183 1.00 0.00 C ATOM 393 C ALA A 24 4.250 -12.885 -0.116 1.00 0.00 C ATOM 394 O ALA A 24 4.618 -13.661 0.765 1.00 0.00 O ATOM 395 CB ALA A 24 2.619 -10.961 0.203 1.00 0.00 C ATOM 0 H ALA A 24 4.215 -10.174 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 24 4.493 -11.208 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.079 -11.540 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.555 -9.901 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.175 -11.134 -0.777 1.00 0.00 H new ATOM 401 N GLN A 25 3.969 -13.241 -1.361 1.00 0.00 N ATOM 402 CA GLN A 25 4.081 -14.626 -1.786 1.00 0.00 C ATOM 403 C GLN A 25 5.521 -15.116 -1.626 1.00 0.00 C ATOM 404 O GLN A 25 5.778 -16.319 -1.647 1.00 0.00 O ATOM 405 CB GLN A 25 3.601 -14.796 -3.229 1.00 0.00 C ATOM 406 CG GLN A 25 4.714 -14.452 -4.221 1.00 0.00 C ATOM 407 CD GLN A 25 5.282 -15.717 -4.868 1.00 0.00 C ATOM 408 OE1 GLN A 25 6.434 -16.123 -4.342 1.00 0.00 O flip ATOM 409 NE2 GLN A 25 4.713 -16.285 -5.785 1.00 0.00 N flip ATOM 0 H GLN A 25 3.664 -12.595 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 25 3.439 -15.234 -1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.272 -15.823 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.739 -14.154 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.326 -13.787 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.510 -13.913 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.830 -15.920 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.120 -17.126 -6.195 1.00 0.00 H new ATOM 418 N GLU A 26 6.424 -14.159 -1.469 1.00 0.00 N ATOM 419 CA GLU A 26 7.832 -14.478 -1.305 1.00 0.00 C ATOM 420 C GLU A 26 8.167 -14.654 0.178 1.00 0.00 C ATOM 421 O GLU A 26 9.315 -14.919 0.531 1.00 0.00 O ATOM 422 CB GLU A 26 8.716 -13.404 -1.943 1.00 0.00 C ATOM 423 CG GLU A 26 9.358 -13.918 -3.233 1.00 0.00 C ATOM 424 CD GLU A 26 10.816 -13.465 -3.338 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.018 -12.279 -3.679 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.694 -14.313 -3.075 1.00 0.00 O ATOM 0 H GLU A 26 6.208 -13.162 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 26 8.033 -15.419 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.120 -12.517 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.493 -13.103 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.309 -15.007 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.797 -13.553 -4.093 1.00 0.00 H new ATOM 433 N ASN A 27 7.144 -14.499 1.005 1.00 0.00 N ATOM 434 CA ASN A 27 7.316 -14.637 2.442 1.00 0.00 C ATOM 435 C ASN A 27 6.134 -15.418 3.019 1.00 0.00 C ATOM 436 O ASN A 27 5.914 -15.413 4.230 1.00 0.00 O ATOM 437 CB ASN A 27 7.359 -13.269 3.126 1.00 0.00 C ATOM 438 CG ASN A 27 8.787 -12.721 3.167 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.654 -13.228 3.858 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.981 -11.660 2.389 1.00 0.00 N ATOM 0 H ASN A 27 6.193 -14.279 0.708 1.00 0.00 H new ATOM 0 HA ASN A 27 8.256 -15.158 2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.713 -12.571 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.969 -13.353 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.900 -11.221 2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.210 -11.286 1.835 1.00 0.00 H new ATOM 447 N ASN A 28 5.404 -16.070 2.127 1.00 0.00 N ATOM 448 CA ASN A 28 4.250 -16.854 2.533 1.00 0.00 C ATOM 449 C ASN A 28 3.316 -15.981 3.374 1.00 0.00 C ATOM 450 O ASN A 28 2.800 -16.425 4.398 1.00 0.00 O ATOM 451 CB ASN A 28 4.671 -18.053 3.385 1.00 0.00 C ATOM 452 CG ASN A 28 3.558 -19.102 3.442 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.828 -19.322 2.490 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.471 -19.736 4.608 1.00 0.00 N ATOM 0 H ASN A 28 5.589 -16.072 1.124 1.00 0.00 H new ATOM 0 HA ASN A 28 3.750 -17.210 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.575 -18.499 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.914 -17.720 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.761 -20.455 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.114 -19.503 5.364 1.00 0.00 H new ATOM 461 N ILE A 29 3.127 -14.755 2.909 1.00 0.00 N ATOM 462 CA ILE A 29 2.265 -13.815 3.606 1.00 0.00 C ATOM 463 C ILE A 29 0.893 -13.791 2.929 1.00 0.00 C ATOM 464 O ILE A 29 0.800 -13.842 1.704 1.00 0.00 O ATOM 465 CB ILE A 29 2.931 -12.441 3.694 1.00 0.00 C ATOM 466 CG1 ILE A 29 4.272 -12.527 4.425 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.993 -11.417 4.338 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.974 -11.168 4.445 1.00 0.00 C ATOM 0 H ILE A 29 3.556 -14.391 2.058 1.00 0.00 H new ATOM 0 HA ILE A 29 2.108 -14.134 4.636 1.00 0.00 H new ATOM 0 HB ILE A 29 3.138 -12.097 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.112 -12.873 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.910 -13.263 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.491 -10.449 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.086 -11.328 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.733 -11.744 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.925 -11.257 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.154 -10.837 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.344 -10.440 4.956 1.00 0.00 H new ATOM 480 N GLU A 30 -0.139 -13.714 3.758 1.00 0.00 N ATOM 481 CA GLU A 30 -1.501 -13.683 3.255 1.00 0.00 C ATOM 482 C GLU A 30 -2.199 -12.393 3.692 1.00 0.00 C ATOM 483 O GLU A 30 -3.394 -12.220 3.458 1.00 0.00 O ATOM 484 CB GLU A 30 -2.285 -14.914 3.717 1.00 0.00 C ATOM 485 CG GLU A 30 -2.798 -15.718 2.521 1.00 0.00 C ATOM 486 CD GLU A 30 -3.321 -17.086 2.964 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.481 -18.003 3.082 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.550 -17.183 3.174 1.00 0.00 O ATOM 0 H GLU A 30 -0.058 -13.672 4.774 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.466 -13.703 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.647 -15.544 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.125 -14.603 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.593 -15.165 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.995 -15.849 1.795 1.00 0.00 H new ATOM 495 N ASN A 31 -1.423 -11.522 4.319 1.00 0.00 N ATOM 496 CA ASN A 31 -1.951 -10.253 4.790 1.00 0.00 C ATOM 497 C ASN A 31 -0.831 -9.211 4.801 1.00 0.00 C ATOM 498 O ASN A 31 -0.430 -8.736 5.862 1.00 0.00 O ATOM 499 CB ASN A 31 -2.494 -10.378 6.215 1.00 0.00 C ATOM 500 CG ASN A 31 -3.185 -9.086 6.654 1.00 0.00 C ATOM 501 OD1 ASN A 31 -2.736 -7.986 6.377 1.00 0.00 O ATOM 502 ND2 ASN A 31 -4.300 -9.279 7.353 1.00 0.00 N ATOM 0 H ASN A 31 -0.432 -11.670 4.512 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.758 -9.955 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.199 -11.208 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.678 -10.609 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.834 -8.479 7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.621 -10.227 7.550 1.00 0.00 H new ATOM 509 N PRO A 32 -0.345 -8.877 3.575 1.00 0.00 N ATOM 510 CA PRO A 32 0.721 -7.900 3.433 1.00 0.00 C ATOM 511 C PRO A 32 0.195 -6.480 3.650 1.00 0.00 C ATOM 512 O PRO A 32 -0.574 -5.968 2.838 1.00 0.00 O ATOM 513 CB PRO A 32 1.274 -8.122 2.035 1.00 0.00 C ATOM 514 CG PRO A 32 0.202 -8.891 1.280 1.00 0.00 C ATOM 515 CD PRO A 32 -0.796 -9.419 2.297 1.00 0.00 C ATOM 0 HA PRO A 32 1.505 -8.021 4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.491 -7.173 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.207 -8.684 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.295 -8.243 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.646 -9.713 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.809 -9.092 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.808 -10.509 2.311 1.00 0.00 H new ATOM 523 N ILE A 33 0.632 -5.883 4.749 1.00 0.00 N ATOM 524 CA ILE A 33 0.215 -4.532 5.083 1.00 0.00 C ATOM 525 C ILE A 33 1.232 -3.536 4.521 1.00 0.00 C ATOM 526 O ILE A 33 2.258 -3.273 5.145 1.00 0.00 O ATOM 527 CB ILE A 33 -0.009 -4.397 6.590 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.277 -5.136 7.024 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.030 -2.927 7.013 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.189 -5.560 8.492 1.00 0.00 C ATOM 0 H ILE A 33 1.271 -6.310 5.420 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.745 -4.304 4.620 1.00 0.00 H new ATOM 0 HB ILE A 33 0.830 -4.867 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.145 -4.493 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.423 -6.015 6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.191 -2.860 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.922 -2.462 6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.837 -2.410 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.103 -6.083 8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.334 -6.223 8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.067 -4.677 9.119 1.00 0.00 H new ATOM 542 N LEU A 34 0.910 -3.008 3.349 1.00 0.00 N ATOM 543 CA LEU A 34 1.782 -2.047 2.696 1.00 0.00 C ATOM 544 C LEU A 34 1.369 -0.631 3.103 1.00 0.00 C ATOM 545 O LEU A 34 0.245 -0.209 2.839 1.00 0.00 O ATOM 546 CB LEU A 34 1.792 -2.274 1.183 1.00 0.00 C ATOM 547 CG LEU A 34 3.119 -2.001 0.472 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.649 -0.607 0.816 1.00 0.00 C ATOM 549 CD2 LEU A 34 4.142 -3.096 0.782 1.00 0.00 C ATOM 0 H LEU A 34 0.057 -3.228 2.835 1.00 0.00 H new ATOM 0 HA LEU A 34 2.813 -2.185 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.505 -3.307 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.026 -1.641 0.736 1.00 0.00 H new ATOM 0 HG LEU A 34 2.941 -2.021 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.593 -0.439 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.924 0.145 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.808 -0.533 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.076 -2.878 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.322 -3.132 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.757 -4.059 0.446 1.00 0.00 H new ATOM 561 N ARG A 35 2.301 0.063 3.740 1.00 0.00 N ATOM 562 CA ARG A 35 2.048 1.422 4.186 1.00 0.00 C ATOM 563 C ARG A 35 2.836 2.417 3.332 1.00 0.00 C ATOM 564 O ARG A 35 3.989 2.165 2.985 1.00 0.00 O ATOM 565 CB ARG A 35 2.437 1.601 5.655 1.00 0.00 C ATOM 566 CG ARG A 35 3.947 1.447 5.845 1.00 0.00 C ATOM 567 CD ARG A 35 4.261 0.390 6.906 1.00 0.00 C ATOM 568 NE ARG A 35 5.725 0.198 7.012 1.00 0.00 N ATOM 569 CZ ARG A 35 6.528 0.952 7.774 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.015 1.953 8.502 1.00 0.00 N ATOM 571 NH2 ARG A 35 7.845 0.705 7.808 1.00 0.00 N ATOM 0 H ARG A 35 3.233 -0.291 3.958 1.00 0.00 H new ATOM 0 HA ARG A 35 0.980 1.612 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.122 2.585 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.913 0.866 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.409 1.166 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.379 2.403 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.856 0.699 7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.780 -0.553 6.645 1.00 0.00 H new ATOM 0 HE ARG A 35 6.149 -0.556 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.013 2.141 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.627 2.527 9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.235 -0.057 7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.457 1.279 8.388 1.00 0.00 H new ATOM 585 N ILE A 36 2.183 3.526 3.018 1.00 0.00 N ATOM 586 CA ILE A 36 2.809 4.560 2.211 1.00 0.00 C ATOM 587 C ILE A 36 3.390 5.637 3.130 1.00 0.00 C ATOM 588 O ILE A 36 2.647 6.401 3.743 1.00 0.00 O ATOM 589 CB ILE A 36 1.822 5.102 1.176 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.709 4.157 -0.022 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.199 6.523 0.751 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.765 2.993 0.286 1.00 0.00 C ATOM 0 H ILE A 36 1.227 3.731 3.308 1.00 0.00 H new ATOM 0 HA ILE A 36 3.640 4.146 1.639 1.00 0.00 H new ATOM 0 HB ILE A 36 0.836 5.154 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.344 4.706 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.695 3.772 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.481 6.885 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.187 7.178 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.197 6.519 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.702 2.336 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.146 2.432 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.226 3.381 0.520 1.00 0.00 H new ATOM 604 N ARG A 37 4.713 5.662 3.197 1.00 0.00 N ATOM 605 CA ARG A 37 5.402 6.632 4.031 1.00 0.00 C ATOM 606 C ARG A 37 6.353 7.480 3.184 1.00 0.00 C ATOM 607 O ARG A 37 6.840 7.026 2.150 1.00 0.00 O ATOM 608 CB ARG A 37 6.197 5.940 5.140 1.00 0.00 C ATOM 609 CG ARG A 37 5.883 6.555 6.505 1.00 0.00 C ATOM 610 CD ARG A 37 7.127 7.210 7.110 1.00 0.00 C ATOM 611 NE ARG A 37 7.572 6.451 8.299 1.00 0.00 N ATOM 612 CZ ARG A 37 8.604 6.808 9.076 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.303 7.916 8.793 1.00 0.00 N ATOM 614 NH2 ARG A 37 8.937 6.058 10.135 1.00 0.00 N ATOM 0 H ARG A 37 5.326 5.026 2.687 1.00 0.00 H new ATOM 0 HA ARG A 37 4.647 7.272 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.960 4.876 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.264 6.026 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.091 7.297 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.510 5.783 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.927 7.244 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.906 8.241 7.388 1.00 0.00 H new ATOM 0 HE ARG A 37 7.061 5.602 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.049 8.487 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.089 8.188 9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.405 5.215 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.723 6.330 10.726 1.00 0.00 H new ATOM 628 N VAL A 38 6.588 8.696 3.654 1.00 0.00 N ATOM 629 CA VAL A 38 7.472 9.612 2.952 1.00 0.00 C ATOM 630 C VAL A 38 8.914 9.115 3.074 1.00 0.00 C ATOM 631 O VAL A 38 9.239 8.362 3.991 1.00 0.00 O ATOM 632 CB VAL A 38 7.282 11.033 3.484 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.913 12.060 2.542 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.801 11.339 3.716 1.00 0.00 C ATOM 0 H VAL A 38 6.182 9.069 4.512 1.00 0.00 H new ATOM 0 HA VAL A 38 7.227 9.642 1.890 1.00 0.00 H new ATOM 0 HB VAL A 38 7.792 11.102 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.764 13.062 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.981 11.861 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.445 11.989 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.694 12.356 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.258 11.243 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.394 10.637 4.443 1.00 0.00 H new ATOM 644 N VAL A 39 9.740 9.558 2.138 1.00 0.00 N ATOM 645 CA VAL A 39 11.140 9.168 2.129 1.00 0.00 C ATOM 646 C VAL A 39 11.971 10.284 1.494 1.00 0.00 C ATOM 647 O VAL A 39 11.902 10.504 0.285 1.00 0.00 O ATOM 648 CB VAL A 39 11.303 7.822 1.419 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.765 7.577 1.039 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.762 6.679 2.279 1.00 0.00 C ATOM 0 H VAL A 39 9.467 10.184 1.380 1.00 0.00 H new ATOM 0 HA VAL A 39 11.505 9.030 3.147 1.00 0.00 H new ATOM 0 HB VAL A 39 10.718 7.855 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.854 6.614 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.105 8.368 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.379 7.574 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.890 5.734 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.307 6.644 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.703 6.843 2.477 1.00 0.00 H new ATOM 660 N PRO A 40 12.759 10.977 2.359 1.00 0.00 N ATOM 661 CA PRO A 40 13.603 12.065 1.895 1.00 0.00 C ATOM 662 C PRO A 40 14.830 11.529 1.153 1.00 0.00 C ATOM 663 O PRO A 40 15.951 11.628 1.649 1.00 0.00 O ATOM 664 CB PRO A 40 13.962 12.846 3.148 1.00 0.00 C ATOM 665 CG PRO A 40 13.693 11.909 4.315 1.00 0.00 C ATOM 666 CD PRO A 40 12.867 10.744 3.796 1.00 0.00 C ATOM 0 HA PRO A 40 13.101 12.707 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.007 13.156 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.362 13.752 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.630 11.552 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.159 12.431 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.351 9.790 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.885 10.714 4.267 1.00 0.00 H new ATOM 737 N GLN A 47 10.622 9.575 -3.422 1.00 0.00 N ATOM 738 CA GLN A 47 9.525 8.669 -3.716 1.00 0.00 C ATOM 739 C GLN A 47 9.158 7.859 -2.472 1.00 0.00 C ATOM 740 O GLN A 47 10.001 7.627 -1.606 1.00 0.00 O ATOM 741 CB GLN A 47 9.874 7.748 -4.887 1.00 0.00 C ATOM 742 CG GLN A 47 10.258 8.559 -6.127 1.00 0.00 C ATOM 743 CD GLN A 47 11.429 7.908 -6.866 1.00 0.00 C ATOM 744 OE1 GLN A 47 12.010 6.931 -6.424 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.741 8.503 -8.014 1.00 0.00 N ATOM 0 HA GLN A 47 8.658 9.262 -4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.699 7.094 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.023 7.107 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.400 8.637 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.527 9.574 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.213 9.318 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.508 8.144 -8.582 1.00 0.00 H new ATOM 754 N TYR A 48 7.898 7.451 -2.421 1.00 0.00 N ATOM 755 CA TYR A 48 7.409 6.671 -1.297 1.00 0.00 C ATOM 756 C TYR A 48 7.740 5.188 -1.473 1.00 0.00 C ATOM 757 O TYR A 48 7.210 4.531 -2.368 1.00 0.00 O ATOM 758 CB TYR A 48 5.889 6.845 -1.293 1.00 0.00 C ATOM 759 CG TYR A 48 5.412 8.139 -0.631 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.482 9.333 -1.320 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.912 8.113 0.655 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.033 10.551 -0.697 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.463 9.332 1.278 1.00 0.00 C ATOM 764 CZ TYR A 48 4.546 10.490 0.571 1.00 0.00 C ATOM 765 OH TYR A 48 4.122 11.641 1.159 1.00 0.00 O ATOM 0 H TYR A 48 7.201 7.646 -3.140 1.00 0.00 H new ATOM 0 HA TYR A 48 7.871 7.005 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.528 6.821 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.438 5.997 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.874 9.354 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.857 7.179 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.082 11.492 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.069 9.326 2.284 1.00 0.00 H new ATOM 0 HH TYR A 48 4.287 12.396 0.557 1.00 0.00 H new ATOM 775 N ALA A 49 8.615 4.703 -0.604 1.00 0.00 N ATOM 776 CA ALA A 49 9.024 3.309 -0.652 1.00 0.00 C ATOM 777 C ALA A 49 7.958 2.446 0.027 1.00 0.00 C ATOM 778 O ALA A 49 7.162 2.947 0.820 1.00 0.00 O ATOM 779 CB ALA A 49 10.399 3.158 0.001 1.00 0.00 C ATOM 0 H ALA A 49 9.052 5.250 0.137 1.00 0.00 H new ATOM 0 HA ALA A 49 9.114 2.970 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.706 2.113 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.126 3.768 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.347 3.485 1.039 1.00 0.00 H new ATOM 785 N MET A 50 7.977 1.165 -0.310 1.00 0.00 N ATOM 786 CA MET A 50 7.023 0.228 0.257 1.00 0.00 C ATOM 787 C MET A 50 7.584 -0.430 1.519 1.00 0.00 C ATOM 788 O MET A 50 8.741 -0.213 1.875 1.00 0.00 O ATOM 789 CB MET A 50 6.690 -0.850 -0.776 1.00 0.00 C ATOM 790 CG MET A 50 5.565 -0.390 -1.706 1.00 0.00 C ATOM 791 SD MET A 50 6.122 -0.425 -3.401 1.00 0.00 S ATOM 792 CE MET A 50 4.676 -1.114 -4.189 1.00 0.00 C ATOM 0 H MET A 50 8.638 0.754 -0.969 1.00 0.00 H new ATOM 0 HA MET A 50 6.120 0.776 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.579 -1.084 -1.362 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.394 -1.767 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.696 -1.037 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.251 0.619 -1.439 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.554 -0.671 -5.177 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.795 -2.193 -4.287 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.795 -0.899 -3.584 1.00 0.00 H new ATOM 802 N GLY A 51 6.737 -1.221 2.162 1.00 0.00 N ATOM 803 CA GLY A 51 7.134 -1.912 3.377 1.00 0.00 C ATOM 804 C GLY A 51 5.971 -2.723 3.952 1.00 0.00 C ATOM 805 O GLY A 51 4.827 -2.271 3.936 1.00 0.00 O ATOM 0 H GLY A 51 5.778 -1.399 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.974 -2.574 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.477 -1.188 4.116 1.00 0.00 H new ATOM 809 N PHE A 52 6.303 -3.907 4.445 1.00 0.00 N ATOM 810 CA PHE A 52 5.300 -4.785 5.024 1.00 0.00 C ATOM 811 C PHE A 52 5.503 -4.929 6.533 1.00 0.00 C ATOM 812 O PHE A 52 6.502 -5.492 6.978 1.00 0.00 O ATOM 813 CB PHE A 52 5.472 -6.155 4.365 1.00 0.00 C ATOM 814 CG PHE A 52 5.408 -6.123 2.836 1.00 0.00 C ATOM 815 CD1 PHE A 52 6.382 -5.489 2.129 1.00 0.00 C ATOM 816 CD2 PHE A 52 4.378 -6.727 2.186 1.00 0.00 C ATOM 817 CE1 PHE A 52 6.323 -5.459 0.710 1.00 0.00 C ATOM 818 CE2 PHE A 52 4.319 -6.697 0.767 1.00 0.00 C ATOM 819 CZ PHE A 52 5.293 -6.064 0.059 1.00 0.00 C ATOM 0 H PHE A 52 7.253 -4.279 4.456 1.00 0.00 H new ATOM 0 HA PHE A 52 4.304 -4.375 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.430 -6.575 4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.697 -6.825 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.200 -5.009 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.605 -7.229 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.096 -4.956 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.501 -7.177 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.249 -6.042 -1.020 1.00 0.00 H new ATOM 829 N ASP A 53 4.539 -4.411 7.280 1.00 0.00 N ATOM 830 CA ASP A 53 4.599 -4.476 8.730 1.00 0.00 C ATOM 831 C ASP A 53 3.513 -5.426 9.240 1.00 0.00 C ATOM 832 O ASP A 53 2.706 -5.927 8.459 1.00 0.00 O ATOM 833 CB ASP A 53 4.353 -3.100 9.353 1.00 0.00 C ATOM 834 CG ASP A 53 5.406 -2.653 10.369 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.128 -3.544 10.868 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.466 -1.431 10.624 1.00 0.00 O ATOM 0 H ASP A 53 3.712 -3.944 6.908 1.00 0.00 H new ATOM 0 HA ASP A 53 5.592 -4.828 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.303 -2.360 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.379 -3.108 9.842 1.00 0.00 H new ATOM 841 N ASP A 54 3.529 -5.645 10.547 1.00 0.00 N ATOM 842 CA ASP A 54 2.556 -6.526 11.169 1.00 0.00 C ATOM 843 C ASP A 54 1.915 -5.810 12.360 1.00 0.00 C ATOM 844 O ASP A 54 2.043 -6.256 13.499 1.00 0.00 O ATOM 845 CB ASP A 54 3.221 -7.802 11.687 1.00 0.00 C ATOM 846 CG ASP A 54 2.284 -9.002 11.843 1.00 0.00 C ATOM 847 OD1 ASP A 54 1.113 -8.764 12.208 1.00 0.00 O ATOM 848 OD2 ASP A 54 2.761 -10.130 11.594 1.00 0.00 O ATOM 0 H ASP A 54 4.200 -5.228 11.192 1.00 0.00 H new ATOM 0 HA ASP A 54 1.809 -6.787 10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.027 -8.076 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.678 -7.589 12.653 1.00 0.00 H new ATOM 853 N THR A 55 1.239 -4.712 12.056 1.00 0.00 N ATOM 854 CA THR A 55 0.578 -3.930 13.087 1.00 0.00 C ATOM 855 C THR A 55 -0.160 -2.743 12.465 1.00 0.00 C ATOM 856 O THR A 55 -0.022 -2.477 11.272 1.00 0.00 O ATOM 857 CB THR A 55 1.632 -3.518 14.116 1.00 0.00 C ATOM 858 OG1 THR A 55 0.992 -2.500 14.880 1.00 0.00 O ATOM 859 CG2 THR A 55 2.828 -2.809 13.479 1.00 0.00 C ATOM 0 H THR A 55 1.135 -4.345 11.110 1.00 0.00 H new ATOM 0 HA THR A 55 -0.186 -4.515 13.599 1.00 0.00 H new ATOM 0 HB THR A 55 1.978 -4.401 14.653 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.605 -2.177 15.573 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.545 -2.538 14.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.305 -3.475 12.759 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.487 -1.908 12.969 1.00 0.00 H new ATOM 867 N VAL A 56 -0.929 -2.061 13.301 1.00 0.00 N ATOM 868 CA VAL A 56 -1.689 -0.908 12.849 1.00 0.00 C ATOM 869 C VAL A 56 -1.536 0.228 13.861 1.00 0.00 C ATOM 870 O VAL A 56 -1.259 -0.015 15.035 1.00 0.00 O ATOM 871 CB VAL A 56 -3.148 -1.305 12.610 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.101 -0.260 13.194 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.420 -1.525 11.121 1.00 0.00 C ATOM 0 H VAL A 56 -1.042 -2.285 14.290 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.304 -0.546 11.896 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.328 -2.249 13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.131 -0.565 13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.933 -0.174 14.268 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.918 0.704 12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.464 -1.806 10.979 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.214 -0.605 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.776 -2.321 10.747 1.00 0.00 H new ATOM 883 N GLU A 57 -1.722 1.445 13.370 1.00 0.00 N ATOM 884 CA GLU A 57 -1.608 2.619 14.218 1.00 0.00 C ATOM 885 C GLU A 57 -2.961 2.949 14.853 1.00 0.00 C ATOM 886 O GLU A 57 -3.980 2.364 14.490 1.00 0.00 O ATOM 887 CB GLU A 57 -1.067 3.814 13.430 1.00 0.00 C ATOM 888 CG GLU A 57 -0.020 3.367 12.407 1.00 0.00 C ATOM 889 CD GLU A 57 0.582 4.570 11.678 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.377 5.697 12.178 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.234 4.335 10.638 1.00 0.00 O ATOM 0 H GLU A 57 -1.951 1.643 12.396 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.898 2.399 15.015 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.887 4.319 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.625 4.537 14.116 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.770 2.809 12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.477 2.691 11.685 1.00 0.00 H new ATOM 898 N GLU A 58 -2.926 3.884 15.791 1.00 0.00 N ATOM 899 CA GLU A 58 -4.136 4.298 16.480 1.00 0.00 C ATOM 900 C GLU A 58 -4.860 5.381 15.677 1.00 0.00 C ATOM 901 O GLU A 58 -5.542 6.230 16.248 1.00 0.00 O ATOM 902 CB GLU A 58 -3.821 4.784 17.896 1.00 0.00 C ATOM 903 CG GLU A 58 -4.530 3.921 18.942 1.00 0.00 C ATOM 904 CD GLU A 58 -4.228 4.416 20.358 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.025 4.554 20.666 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.207 4.645 21.100 1.00 0.00 O ATOM 0 H GLU A 58 -2.079 4.367 16.090 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.796 3.435 16.566 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.744 4.754 18.064 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.132 5.823 18.005 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.606 3.942 18.767 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.211 2.884 18.840 1.00 0.00 H new ATOM 913 N GLY A 59 -4.686 5.316 14.365 1.00 0.00 N ATOM 914 CA GLY A 59 -5.314 6.280 13.478 1.00 0.00 C ATOM 915 C GLY A 59 -4.670 6.249 12.091 1.00 0.00 C ATOM 916 O GLY A 59 -4.132 7.255 11.630 1.00 0.00 O ATOM 0 H GLY A 59 -4.119 4.610 13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.379 6.062 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.226 7.280 13.902 1.00 0.00 H new ATOM 920 N ASP A 60 -4.746 5.085 11.463 1.00 0.00 N ATOM 921 CA ASP A 60 -4.177 4.910 10.138 1.00 0.00 C ATOM 922 C ASP A 60 -5.281 4.493 9.165 1.00 0.00 C ATOM 923 O ASP A 60 -5.997 3.523 9.411 1.00 0.00 O ATOM 924 CB ASP A 60 -3.108 3.816 10.137 1.00 0.00 C ATOM 925 CG ASP A 60 -1.745 4.244 9.590 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.651 5.409 9.148 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.827 3.397 9.627 1.00 0.00 O ATOM 0 H ASP A 60 -5.194 4.253 11.848 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.725 5.855 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.976 3.457 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.471 2.974 9.547 1.00 0.00 H new ATOM 932 N HIS A 61 -5.385 5.246 8.079 1.00 0.00 N ATOM 933 CA HIS A 61 -6.390 4.966 7.068 1.00 0.00 C ATOM 934 C HIS A 61 -6.076 3.632 6.388 1.00 0.00 C ATOM 935 O HIS A 61 -5.205 3.561 5.523 1.00 0.00 O ATOM 936 CB HIS A 61 -6.498 6.126 6.075 1.00 0.00 C ATOM 937 CG HIS A 61 -7.229 7.331 6.616 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.957 8.293 5.979 1.00 0.00 N flip ATOM 939 CD2 HIS A 61 -7.258 7.648 7.963 1.00 0.00 C flip ATOM 940 CE1 HIS A 61 -8.406 9.150 6.887 1.00 0.00 C flip ATOM 941 NE2 HIS A 61 -7.974 8.752 8.118 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.790 6.049 7.878 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.369 4.873 7.538 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.495 6.427 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.009 5.776 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.778 7.090 8.754 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.014 10.020 6.685 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.168 9.222 9.002 1.00 0.00 H new ATOM 949 N VAL A 62 -6.805 2.607 6.806 1.00 0.00 N ATOM 950 CA VAL A 62 -6.616 1.278 6.249 1.00 0.00 C ATOM 951 C VAL A 62 -7.532 1.103 5.036 1.00 0.00 C ATOM 952 O VAL A 62 -8.747 1.264 5.143 1.00 0.00 O ATOM 953 CB VAL A 62 -6.846 0.220 7.329 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.237 -0.404 7.198 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.757 -0.854 7.286 1.00 0.00 C ATOM 0 H VAL A 62 -7.527 2.670 7.524 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.590 1.152 5.903 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.790 0.714 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.375 -1.153 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.995 0.372 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.333 -0.876 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.945 -1.594 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.766 -1.342 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.784 -0.392 7.452 1.00 0.00 H new ATOM 965 N PHE A 63 -6.915 0.777 3.910 1.00 0.00 N ATOM 966 CA PHE A 63 -7.660 0.578 2.679 1.00 0.00 C ATOM 967 C PHE A 63 -7.549 -0.870 2.198 1.00 0.00 C ATOM 968 O PHE A 63 -6.447 -1.379 1.997 1.00 0.00 O ATOM 969 CB PHE A 63 -7.040 1.501 1.627 1.00 0.00 C ATOM 970 CG PHE A 63 -8.064 2.202 0.733 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.046 2.962 1.290 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.994 2.066 -0.618 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.996 3.613 0.460 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.945 2.717 -1.448 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.926 3.477 -0.891 1.00 0.00 C ATOM 0 H PHE A 63 -5.907 0.646 3.824 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.715 0.798 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.436 2.256 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.364 0.919 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.103 3.070 2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.215 1.463 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.775 4.217 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.889 2.609 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.649 3.972 -1.522 1.00 0.00 H new ATOM 985 N GLU A 64 -8.706 -1.493 2.027 1.00 0.00 N ATOM 986 CA GLU A 64 -8.753 -2.873 1.574 1.00 0.00 C ATOM 987 C GLU A 64 -8.473 -2.948 0.072 1.00 0.00 C ATOM 988 O GLU A 64 -9.112 -2.254 -0.718 1.00 0.00 O ATOM 989 CB GLU A 64 -10.099 -3.517 1.914 1.00 0.00 C ATOM 990 CG GLU A 64 -10.338 -3.521 3.425 1.00 0.00 C ATOM 991 CD GLU A 64 -11.683 -4.167 3.765 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.711 -3.508 3.501 1.00 0.00 O ATOM 993 OE2 GLU A 64 -11.651 -5.305 4.282 1.00 0.00 O ATOM 0 H GLU A 64 -9.618 -1.068 2.194 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.978 -3.433 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.902 -2.974 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.123 -4.539 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.534 -4.063 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.315 -2.499 3.803 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.518 -3.797 -0.279 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.146 -3.971 -1.672 1.00 0.00 C ATOM 1002 C TYR A 65 -7.500 -5.377 -2.162 1.00 0.00 C ATOM 1003 O TYR A 65 -8.255 -6.094 -1.508 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.628 -3.791 -1.730 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.183 -2.396 -2.173 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.351 -2.003 -3.485 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.614 -1.531 -1.261 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.933 -0.690 -3.903 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.195 -0.218 -1.679 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.375 0.138 -2.979 1.00 0.00 C ATOM 1011 OH TYR A 65 -3.980 1.378 -3.374 1.00 0.00 O ATOM 0 H TYR A 65 -6.991 -4.372 0.378 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.675 -3.257 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.210 -3.999 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.211 -4.529 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.796 -2.680 -4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.483 -1.838 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.060 -0.370 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.748 0.469 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.601 1.859 -2.609 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.936 -5.729 -3.309 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.183 -7.036 -3.894 1.00 0.00 C ATOM 1023 C ASP A 66 -6.584 -8.115 -2.990 1.00 0.00 C ATOM 1024 O ASP A 66 -5.578 -8.732 -3.337 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.527 -7.155 -5.271 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.142 -8.213 -6.190 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -6.909 -9.409 -5.914 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -7.830 -7.801 -7.148 1.00 0.00 O ATOM 0 H ASP A 66 -6.309 -5.132 -3.848 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.261 -7.163 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.582 -6.187 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.470 -7.383 -5.135 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.227 -8.310 -1.848 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.771 -9.304 -0.892 1.00 0.00 C ATOM 1035 C GLY A 67 -5.487 -8.847 -0.196 1.00 0.00 C ATOM 1036 O GLY A 67 -4.614 -9.661 0.101 1.00 0.00 O ATOM 0 H GLY A 67 -8.061 -7.796 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.548 -9.482 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.595 -10.251 -1.402 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.412 -7.546 0.043 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.250 -6.971 0.698 1.00 0.00 C ATOM 1042 C VAL A 68 -4.675 -5.729 1.483 1.00 0.00 C ATOM 1043 O VAL A 68 -5.646 -5.065 1.124 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.158 -6.681 -0.334 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.978 -5.949 0.307 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.697 -7.968 -1.022 1.00 0.00 C ATOM 0 H VAL A 68 -6.138 -6.874 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.825 -7.677 1.412 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.583 -6.028 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.216 -5.755 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.321 -5.004 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.554 -6.566 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.921 -7.733 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.299 -8.657 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.543 -8.432 -1.530 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.926 -5.452 2.541 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.214 -4.302 3.381 1.00 0.00 C ATOM 1058 C LYS A 69 -3.147 -3.229 3.151 1.00 0.00 C ATOM 1059 O LYS A 69 -1.983 -3.547 2.916 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.352 -4.728 4.844 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.622 -5.555 5.057 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.334 -6.790 5.912 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.633 -7.419 6.421 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.919 -8.677 5.695 1.00 0.00 N ATOM 0 H LYS A 69 -3.120 -6.004 2.835 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.174 -3.862 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.480 -5.311 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.377 -3.845 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.382 -4.942 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.026 -5.862 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.777 -7.521 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.704 -6.513 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.553 -7.619 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.459 -6.720 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.541 -9.278 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.389 -8.458 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.028 -9.180 5.508 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.584 -1.980 3.226 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.681 -0.859 3.029 1.00 0.00 C ATOM 1080 C VAL A 70 -3.081 0.282 3.967 1.00 0.00 C ATOM 1081 O VAL A 70 -4.243 0.396 4.353 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.673 -0.447 1.556 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.184 0.994 1.392 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -1.827 -1.411 0.722 1.00 0.00 C ATOM 0 H VAL A 70 -4.551 -1.720 3.420 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.659 -1.143 3.279 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.698 -0.497 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.188 1.262 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.844 1.667 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.171 1.081 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.838 -1.096 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.801 -1.408 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.238 -2.417 0.801 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.094 1.099 4.307 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.328 2.227 5.192 1.00 0.00 C ATOM 1096 C VAL A 71 -1.442 3.398 4.763 1.00 0.00 C ATOM 1097 O VAL A 71 -0.467 3.211 4.036 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.101 1.807 6.646 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.642 0.399 6.900 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.620 1.902 7.019 1.00 0.00 C ATOM 0 H VAL A 71 -1.131 1.002 3.985 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.364 2.560 5.122 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.652 2.497 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.468 0.125 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.712 0.377 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.132 -0.310 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.486 1.598 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.039 1.246 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.279 2.930 6.895 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.812 4.581 5.231 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.063 5.783 4.905 1.00 0.00 C ATOM 1112 C ILE A 72 -1.078 6.730 6.107 1.00 0.00 C ATOM 1113 O ILE A 72 -2.143 7.074 6.617 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.598 6.415 3.618 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.789 5.358 2.527 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.696 7.560 3.154 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.016 6.013 1.163 1.00 0.00 C ATOM 0 H ILE A 72 -2.621 4.733 5.834 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.020 5.539 4.704 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.578 6.842 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.912 4.713 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.639 4.723 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.098 7.992 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.653 8.326 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.308 7.179 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.149 5.240 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.908 6.638 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.153 6.628 0.907 1.00 0.00 H new ATOM 1129 N ASP A 73 0.116 7.124 6.523 1.00 0.00 N ATOM 1130 CA ASP A 73 0.254 8.025 7.655 1.00 0.00 C ATOM 1131 C ASP A 73 -0.718 9.195 7.492 1.00 0.00 C ATOM 1132 O ASP A 73 -1.165 9.486 6.383 1.00 0.00 O ATOM 1133 CB ASP A 73 1.671 8.595 7.736 1.00 0.00 C ATOM 1134 CG ASP A 73 2.581 7.921 8.765 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.214 6.811 9.207 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.624 8.531 9.086 1.00 0.00 O ATOM 0 H ASP A 73 0.997 6.836 6.097 1.00 0.00 H new ATOM 0 HA ASP A 73 0.040 7.461 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.136 8.514 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.606 9.657 7.971 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.026 9.852 8.643 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.937 10.984 8.638 1.00 0.00 C ATOM 1143 C PRO A 74 -1.259 12.231 8.066 1.00 0.00 C ATOM 1144 O PRO A 74 -1.930 13.135 7.571 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.364 11.152 10.087 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.326 10.411 10.915 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.516 9.535 9.974 1.00 0.00 C ATOM 0 HA PRO A 74 -2.804 10.823 7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.404 12.206 10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.360 10.741 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.677 11.117 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.811 9.804 11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.550 9.750 10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.646 8.478 10.207 1.00 0.00 H new ATOM 1155 N PHE A 75 0.064 12.239 8.153 1.00 0.00 N ATOM 1156 CA PHE A 75 0.840 13.360 7.651 1.00 0.00 C ATOM 1157 C PHE A 75 1.207 13.157 6.180 1.00 0.00 C ATOM 1158 O PHE A 75 1.409 14.125 5.448 1.00 0.00 O ATOM 1159 CB PHE A 75 2.124 13.422 8.480 1.00 0.00 C ATOM 1160 CG PHE A 75 2.026 14.323 9.713 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.597 15.608 9.583 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.367 13.841 10.937 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.506 16.444 10.727 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.276 14.677 12.081 1.00 0.00 C ATOM 1165 CZ PHE A 75 1.847 15.962 11.952 1.00 0.00 C ATOM 0 H PHE A 75 0.617 11.487 8.564 1.00 0.00 H new ATOM 0 HA PHE A 75 0.260 14.279 7.730 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.387 12.414 8.800 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.937 13.778 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.326 15.992 8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.707 12.821 11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.166 17.464 10.624 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.547 14.293 13.053 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.777 16.598 12.822 1.00 0.00 H new ATOM 1175 N SER A 76 1.281 11.893 5.790 1.00 0.00 N ATOM 1176 CA SER A 76 1.620 11.551 4.419 1.00 0.00 C ATOM 1177 C SER A 76 0.350 11.483 3.568 1.00 0.00 C ATOM 1178 O SER A 76 0.415 11.568 2.342 1.00 0.00 O ATOM 1179 CB SER A 76 2.375 10.222 4.353 1.00 0.00 C ATOM 1180 OG SER A 76 1.616 9.208 3.700 1.00 0.00 O ATOM 0 H SER A 76 1.112 11.093 6.400 1.00 0.00 H new ATOM 0 HA SER A 76 2.274 12.329 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.317 10.366 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.623 9.895 5.363 1.00 0.00 H new ATOM 0 HG SER A 76 2.064 8.343 3.808 1.00 0.00 H new ATOM 1186 N MET A 77 -0.775 11.329 4.251 1.00 0.00 N ATOM 1187 CA MET A 77 -2.057 11.248 3.573 1.00 0.00 C ATOM 1188 C MET A 77 -2.306 12.494 2.720 1.00 0.00 C ATOM 1189 O MET A 77 -2.639 12.387 1.541 1.00 0.00 O ATOM 1190 CB MET A 77 -3.174 11.106 4.608 1.00 0.00 C ATOM 1191 CG MET A 77 -4.113 9.953 4.248 1.00 0.00 C ATOM 1192 SD MET A 77 -5.495 10.564 3.299 1.00 0.00 S ATOM 1193 CE MET A 77 -4.785 10.536 1.662 1.00 0.00 C ATOM 0 H MET A 77 -0.825 11.258 5.267 1.00 0.00 H new ATOM 0 HA MET A 77 -2.045 10.378 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.741 10.933 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.740 12.036 4.667 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.573 9.199 3.675 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.471 9.468 5.156 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.501 10.105 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.543 11.553 1.353 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.877 9.933 1.670 1.00 0.00 H new ATOM 1203 N PRO A 78 -2.130 13.677 3.367 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.332 14.942 2.681 1.00 0.00 C ATOM 1205 C PRO A 78 -1.167 15.246 1.736 1.00 0.00 C ATOM 1206 O PRO A 78 -1.150 16.286 1.080 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.481 15.972 3.789 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.897 15.329 5.036 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.736 13.842 4.763 1.00 0.00 C ATOM 0 HA PRO A 78 -3.213 14.936 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.953 16.893 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.528 16.236 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.935 15.778 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.553 15.491 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.708 13.519 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.365 13.247 5.425 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.222 14.318 1.697 1.00 0.00 N ATOM 1218 CA TYR A 79 0.944 14.473 0.844 1.00 0.00 C ATOM 1219 C TYR A 79 0.722 13.805 -0.515 1.00 0.00 C ATOM 1220 O TYR A 79 1.309 14.214 -1.515 1.00 0.00 O ATOM 1221 CB TYR A 79 2.092 13.766 1.566 1.00 0.00 C ATOM 1222 CG TYR A 79 3.414 14.536 1.537 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.184 14.541 0.392 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.835 15.225 2.656 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.428 15.266 0.365 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.079 15.950 2.629 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.815 15.935 1.484 1.00 0.00 C ATOM 1228 OH TYR A 79 6.989 16.619 1.459 1.00 0.00 O ATOM 0 H TYR A 79 -0.240 13.456 2.242 1.00 0.00 H new ATOM 0 HA TYR A 79 1.151 15.528 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.805 13.596 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.244 12.786 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.854 14.002 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.232 15.221 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.040 15.278 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.420 16.493 3.498 1.00 0.00 H new ATOM 0 HH TYR A 79 7.136 17.049 2.327 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.127 12.787 -0.506 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.433 12.058 -1.724 1.00 0.00 C ATOM 1240 C VAL A 80 -1.932 11.757 -1.770 1.00 0.00 C ATOM 1241 O VAL A 80 -2.348 10.735 -2.316 1.00 0.00 O ATOM 1242 CB VAL A 80 0.432 10.799 -1.813 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.918 11.147 -1.700 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.025 9.778 -0.749 1.00 0.00 C ATOM 0 H VAL A 80 -0.612 12.451 0.326 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.195 12.662 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 80 0.267 10.347 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.511 10.235 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.197 11.821 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.106 11.633 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.655 8.893 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.147 10.216 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.018 9.496 -0.895 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.704 12.664 -1.190 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.148 12.508 -1.157 1.00 0.00 C ATOM 1256 C ASN A 81 -4.706 12.666 -2.573 1.00 0.00 C ATOM 1257 O ASN A 81 -4.631 13.746 -3.157 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.797 13.574 -0.272 1.00 0.00 C ATOM 1259 CG ASN A 81 -6.277 13.264 -0.036 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.687 12.851 1.036 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -7.052 13.487 -1.094 1.00 0.00 N ATOM 0 H ASN A 81 -2.356 13.510 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.371 11.520 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.276 13.625 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.697 14.552 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.055 13.312 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.643 13.833 -1.962 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.252 11.573 -3.084 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.822 11.576 -4.421 1.00 0.00 C ATOM 1270 C GLY A 82 -4.765 11.223 -5.469 1.00 0.00 C ATOM 1271 O GLY A 82 -5.069 10.575 -6.469 1.00 0.00 O ATOM 0 H GLY A 82 -5.312 10.679 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.643 10.860 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.242 12.558 -4.639 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.544 11.666 -5.204 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.440 11.405 -6.111 1.00 0.00 C ATOM 1277 C ALA A 83 -2.341 9.900 -6.368 1.00 0.00 C ATOM 1278 O ALA A 83 -3.143 9.124 -5.850 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.150 11.983 -5.525 1.00 0.00 C ATOM 0 H ALA A 83 -3.296 12.204 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.609 11.893 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.321 11.787 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.262 13.059 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.946 11.515 -4.562 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.350 9.533 -7.167 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.135 8.134 -7.498 1.00 0.00 C ATOM 1287 C GLU A 84 0.355 7.795 -7.430 1.00 0.00 C ATOM 1288 O GLU A 84 1.193 8.566 -7.897 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.711 7.803 -8.877 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.224 8.024 -8.907 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.603 9.084 -9.944 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.241 10.258 -9.713 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -4.245 8.696 -10.943 1.00 0.00 O ATOM 0 H GLU A 84 -0.687 10.180 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.660 7.522 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.234 8.426 -9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.486 6.767 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.728 7.086 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.569 8.335 -7.921 1.00 0.00 H new ATOM 1300 N LEU A 85 0.641 6.641 -6.845 1.00 0.00 N ATOM 1301 CA LEU A 85 2.015 6.191 -6.710 1.00 0.00 C ATOM 1302 C LEU A 85 2.248 4.993 -7.633 1.00 0.00 C ATOM 1303 O LEU A 85 1.731 3.904 -7.385 1.00 0.00 O ATOM 1304 CB LEU A 85 2.345 5.910 -5.243 1.00 0.00 C ATOM 1305 CG LEU A 85 2.867 4.506 -4.929 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.154 4.214 -5.703 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.047 4.311 -3.423 1.00 0.00 C ATOM 0 H LEU A 85 -0.056 6.004 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 85 2.705 6.975 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.089 6.635 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.447 6.083 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 85 2.121 3.783 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.504 3.210 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.959 4.283 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.918 4.941 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.419 3.305 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.762 5.042 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.089 4.447 -2.921 1.00 0.00 H new ATOM 1319 N ASP A 86 3.026 5.234 -8.678 1.00 0.00 N ATOM 1320 CA ASP A 86 3.333 4.188 -9.639 1.00 0.00 C ATOM 1321 C ASP A 86 4.680 3.556 -9.285 1.00 0.00 C ATOM 1322 O ASP A 86 5.669 4.261 -9.089 1.00 0.00 O ATOM 1323 CB ASP A 86 3.436 4.756 -11.056 1.00 0.00 C ATOM 1324 CG ASP A 86 4.802 5.339 -11.422 1.00 0.00 C ATOM 1325 OD1 ASP A 86 5.709 4.527 -11.704 1.00 0.00 O ATOM 1326 OD2 ASP A 86 4.908 6.585 -11.412 1.00 0.00 O ATOM 0 H ASP A 86 3.453 6.138 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 86 2.531 3.450 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.193 3.966 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.682 5.534 -11.175 1.00 0.00 H new ATOM 1331 N TYR A 87 4.676 2.233 -9.213 1.00 0.00 N ATOM 1332 CA TYR A 87 5.886 1.497 -8.886 1.00 0.00 C ATOM 1333 C TYR A 87 6.731 1.248 -10.136 1.00 0.00 C ATOM 1334 O TYR A 87 6.245 0.688 -11.117 1.00 0.00 O ATOM 1335 CB TYR A 87 5.422 0.153 -8.322 1.00 0.00 C ATOM 1336 CG TYR A 87 6.535 -0.661 -7.658 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.931 -0.365 -6.369 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.142 -1.691 -8.347 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.979 -1.130 -5.745 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.189 -2.456 -7.722 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.556 -2.138 -6.452 1.00 0.00 C ATOM 1342 OH TYR A 87 9.545 -2.861 -5.862 1.00 0.00 O ATOM 0 H TYR A 87 3.854 1.651 -9.376 1.00 0.00 H new ATOM 0 HA TYR A 87 6.498 2.058 -8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.631 0.330 -7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.986 -0.437 -9.128 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.455 0.440 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.832 -1.923 -9.355 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.300 -0.908 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.672 -3.265 -8.250 1.00 0.00 H new ATOM 0 HH TYR A 87 9.863 -3.548 -6.484 1.00 0.00 H new ATOM 1352 N VAL A 88 7.983 1.676 -10.060 1.00 0.00 N ATOM 1353 CA VAL A 88 8.901 1.506 -11.174 1.00 0.00 C ATOM 1354 C VAL A 88 9.277 0.028 -11.298 1.00 0.00 C ATOM 1355 O VAL A 88 9.257 -0.706 -10.311 1.00 0.00 O ATOM 1356 CB VAL A 88 10.115 2.419 -10.995 1.00 0.00 C ATOM 1357 CG1 VAL A 88 11.179 2.130 -12.056 1.00 0.00 C ATOM 1358 CG2 VAL A 88 9.702 3.892 -11.020 1.00 0.00 C ATOM 0 H VAL A 88 8.383 2.140 -9.245 1.00 0.00 H new ATOM 0 HA VAL A 88 8.425 1.800 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 88 10.550 2.210 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.031 2.793 -11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.506 1.094 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.759 2.298 -13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.584 4.519 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.230 4.121 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.997 4.086 -10.212 1.00 0.00 H new ATOM 1447 N GLY A 95 11.135 -0.139 -8.052 1.00 0.00 N ATOM 1448 CA GLY A 95 11.247 0.900 -7.042 1.00 0.00 C ATOM 1449 C GLY A 95 9.905 1.601 -6.826 1.00 0.00 C ATOM 1450 O GLY A 95 8.858 1.075 -7.200 1.00 0.00 O ATOM 0 HA2 GLY A 95 11.589 0.464 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.997 1.629 -7.347 1.00 0.00 H new ATOM 1454 N PHE A 96 9.979 2.779 -6.224 1.00 0.00 N ATOM 1455 CA PHE A 96 8.783 3.558 -5.953 1.00 0.00 C ATOM 1456 C PHE A 96 8.834 4.909 -6.670 1.00 0.00 C ATOM 1457 O PHE A 96 9.827 5.629 -6.575 1.00 0.00 O ATOM 1458 CB PHE A 96 8.737 3.798 -4.443 1.00 0.00 C ATOM 1459 CG PHE A 96 10.104 3.728 -3.760 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.784 2.551 -3.719 1.00 0.00 C ATOM 1461 CD2 PHE A 96 10.639 4.843 -3.194 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.053 2.487 -3.085 1.00 0.00 C ATOM 1463 CE2 PHE A 96 11.908 4.778 -2.560 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.588 3.602 -2.519 1.00 0.00 C ATOM 0 H PHE A 96 10.849 3.213 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 96 7.903 3.022 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.298 4.778 -4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.077 3.060 -3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.359 1.666 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.099 5.778 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 96 12.594 1.553 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.333 5.663 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.553 3.553 -2.037 1.00 0.00 H new ATOM 1474 N THR A 97 7.753 5.211 -7.373 1.00 0.00 N ATOM 1475 CA THR A 97 7.662 6.463 -8.106 1.00 0.00 C ATOM 1476 C THR A 97 6.235 7.013 -8.048 1.00 0.00 C ATOM 1477 O THR A 97 5.285 6.261 -7.837 1.00 0.00 O ATOM 1478 CB THR A 97 8.160 6.213 -9.531 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.571 6.388 -9.442 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.711 7.302 -10.507 1.00 0.00 C ATOM 0 H THR A 97 6.932 4.611 -7.451 1.00 0.00 H new ATOM 0 HA THR A 97 8.291 7.232 -7.656 1.00 0.00 H new ATOM 0 HB THR A 97 7.799 5.244 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.851 6.321 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.091 7.077 -11.503 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.622 7.340 -10.534 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.100 8.266 -10.180 1.00 0.00 H new ATOM 1488 N ILE A 98 6.131 8.319 -8.240 1.00 0.00 N ATOM 1489 CA ILE A 98 4.836 8.979 -8.213 1.00 0.00 C ATOM 1490 C ILE A 98 4.617 9.717 -9.535 1.00 0.00 C ATOM 1491 O ILE A 98 5.550 10.295 -10.089 1.00 0.00 O ATOM 1492 CB ILE A 98 4.718 9.876 -6.980 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.486 9.045 -5.716 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.633 10.937 -7.175 1.00 0.00 C ATOM 1495 CD1 ILE A 98 5.813 8.668 -5.056 1.00 0.00 C ATOM 0 H ILE A 98 6.922 8.939 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 98 4.036 8.245 -8.122 1.00 0.00 H new ATOM 0 HB ILE A 98 5.664 10.402 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.874 9.609 -5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.931 8.141 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.570 11.561 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.882 11.558 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.673 10.449 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.619 8.078 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.413 8.083 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.354 9.574 -4.784 1.00 0.00 H new ATOM 1507 N ARG A 99 3.377 9.675 -10.001 1.00 0.00 N ATOM 1508 CA ARG A 99 3.024 10.333 -11.247 1.00 0.00 C ATOM 1509 C ARG A 99 1.881 11.325 -11.018 1.00 0.00 C ATOM 1510 O ARG A 99 0.714 10.938 -10.995 1.00 0.00 O ATOM 1511 CB ARG A 99 2.600 9.314 -12.307 1.00 0.00 C ATOM 1512 CG ARG A 99 3.114 9.717 -13.691 1.00 0.00 C ATOM 1513 CD ARG A 99 2.225 9.142 -14.795 1.00 0.00 C ATOM 1514 NE ARG A 99 2.803 7.879 -15.304 1.00 0.00 N ATOM 1515 CZ ARG A 99 2.638 6.686 -14.717 1.00 0.00 C ATOM 1516 NH1 ARG A 99 1.911 6.586 -13.596 1.00 0.00 N ATOM 1517 NH2 ARG A 99 3.200 5.593 -15.250 1.00 0.00 N ATOM 0 H ARG A 99 2.605 9.196 -9.538 1.00 0.00 H new ATOM 0 HA ARG A 99 3.906 10.865 -11.603 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.986 8.329 -12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.513 9.236 -12.327 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.141 10.804 -13.770 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.136 9.362 -13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.222 8.963 -14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.130 9.862 -15.608 1.00 0.00 H new ATOM 0 HE ARG A 99 3.363 7.919 -16.156 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.483 7.418 -13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.785 5.678 -13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.754 5.669 -16.103 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.074 4.685 -14.803 1.00 0.00 H new ATOM 1531 N ASN A 100 2.258 12.584 -10.853 1.00 0.00 N ATOM 1532 CA ASN A 100 1.279 13.634 -10.626 1.00 0.00 C ATOM 1533 C ASN A 100 0.763 14.144 -11.973 1.00 0.00 C ATOM 1534 O ASN A 100 1.534 14.653 -12.785 1.00 0.00 O ATOM 1535 CB ASN A 100 1.903 14.816 -9.880 1.00 0.00 C ATOM 1536 CG ASN A 100 2.359 14.402 -8.480 1.00 0.00 C ATOM 1537 OD1 ASN A 100 3.530 14.182 -8.220 1.00 0.00 O ATOM 1538 ND2 ASN A 100 1.370 14.309 -7.595 1.00 0.00 N ATOM 0 H ASN A 100 3.227 12.901 -10.872 1.00 0.00 H new ATOM 0 HA ASN A 100 0.469 13.217 -10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.753 15.199 -10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.178 15.627 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.571 14.039 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.411 14.507 -7.879 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.572 13.986 -12.174 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.201 14.424 -13.409 1.00 0.00 C ATOM 1547 C PRO A 101 -1.341 15.947 -13.442 1.00 0.00 C ATOM 1548 O PRO A 101 -2.387 16.485 -13.081 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.538 13.703 -13.447 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.810 13.254 -12.021 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.516 13.387 -11.235 1.00 0.00 C ATOM 0 HA PRO A 101 -0.609 14.182 -14.292 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.328 14.363 -13.806 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.503 12.850 -14.125 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.594 13.864 -11.572 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.161 12.222 -12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.650 14.015 -10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.164 12.417 -10.884 1.00 0.00 H new