USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 21 ASN : amide:sc= 0.616 X(o=0.89,f=0.96) USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0.274 USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 SER OG : rot 50:sc= 0.247 USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 19 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -8:sc= 0.789! USER MOD Single : A 28 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.81! X(o=-1.8!,f=-1.5) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 24:sc= 0.49 USER MOD Single : A 63 GLN : amide:sc= -0.348 K(o=-0.35,f=-1) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.935 -4.569 -1.610 1.00 0.00 N ATOM 78 CA GLY A 9 2.634 -4.032 -1.258 1.00 0.00 C ATOM 79 C GLY A 9 2.708 -2.590 -0.796 1.00 0.00 C ATOM 80 O GLY A 9 3.083 -2.314 0.344 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.971 -4.101 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.194 -4.641 -0.468 1.00 0.00 H new ATOM 84 N TYR A 10 2.352 -1.667 -1.683 1.00 0.00 N ATOM 85 CA TYR A 10 2.384 -0.246 -1.363 1.00 0.00 C ATOM 86 C TYR A 10 1.185 0.477 -1.970 1.00 0.00 C ATOM 87 O TYR A 10 0.988 0.464 -3.185 1.00 0.00 O ATOM 88 CB TYR A 10 3.683 0.384 -1.869 1.00 0.00 C ATOM 89 CG TYR A 10 4.820 0.307 -0.875 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.658 -0.801 -0.834 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.056 1.340 0.023 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.698 -0.876 0.072 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.095 1.274 0.931 1.00 0.00 C ATOM 94 CZ TYR A 10 6.913 0.164 0.952 1.00 0.00 C ATOM 95 OH TYR A 10 7.947 0.094 1.857 1.00 0.00 O ATOM 0 H TYR A 10 2.038 -1.879 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 10 2.337 -0.143 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.983 -0.114 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.498 1.429 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.493 -1.617 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.416 2.210 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.340 -1.745 0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.266 2.087 1.621 1.00 0.00 H new ATOM 0 HH TYR A 10 8.113 0.983 2.233 1.00 0.00 H new ATOM 105 N VAL A 11 0.387 1.108 -1.114 1.00 0.00 N ATOM 106 CA VAL A 11 -0.792 1.838 -1.565 1.00 0.00 C ATOM 107 C VAL A 11 -0.744 3.293 -1.111 1.00 0.00 C ATOM 108 O VAL A 11 -0.329 3.590 0.010 1.00 0.00 O ATOM 109 CB VAL A 11 -2.087 1.191 -1.041 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.188 -0.254 -1.505 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.150 1.277 0.477 1.00 0.00 C ATOM 0 H VAL A 11 0.536 1.128 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.791 1.800 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.936 1.739 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.110 -0.695 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.193 -0.287 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.334 -0.818 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.072 0.815 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.295 0.755 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.128 2.323 0.783 1.00 0.00 H new ATOM 121 N ILE A 12 -1.171 4.195 -1.988 1.00 0.00 N ATOM 122 CA ILE A 12 -1.179 5.619 -1.676 1.00 0.00 C ATOM 123 C ILE A 12 -2.583 6.097 -1.322 1.00 0.00 C ATOM 124 O ILE A 12 -3.574 5.567 -1.823 1.00 0.00 O ATOM 125 CB ILE A 12 -0.645 6.456 -2.853 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.262 7.859 -2.378 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.683 6.531 -3.963 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.534 8.645 -3.396 1.00 0.00 C ATOM 0 H ILE A 12 -1.516 3.965 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.524 5.757 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 12 0.248 5.971 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.169 8.411 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.319 7.777 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.291 7.126 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.911 5.525 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.592 6.995 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.770 9.629 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.459 8.114 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.053 8.759 -4.308 1.00 0.00 H new ATOM 140 N ALA A 13 -2.659 7.103 -0.457 1.00 0.00 N ATOM 141 CA ALA A 13 -3.941 7.656 -0.040 1.00 0.00 C ATOM 142 C ALA A 13 -4.574 8.480 -1.156 1.00 0.00 C ATOM 143 O ALA A 13 -3.903 9.286 -1.803 1.00 0.00 O ATOM 144 CB ALA A 13 -3.768 8.503 1.212 1.00 0.00 C ATOM 0 H ALA A 13 -1.848 7.551 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.610 6.826 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.734 8.910 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.368 7.886 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.078 9.321 1.005 1.00 0.00 H new ATOM 150 N LEU A 14 -5.867 8.274 -1.377 1.00 0.00 N ATOM 151 CA LEU A 14 -6.591 8.998 -2.416 1.00 0.00 C ATOM 152 C LEU A 14 -7.196 10.284 -1.863 1.00 0.00 C ATOM 153 O LEU A 14 -7.302 11.287 -2.570 1.00 0.00 O ATOM 154 CB LEU A 14 -7.691 8.117 -3.008 1.00 0.00 C ATOM 155 CG LEU A 14 -7.220 6.902 -3.809 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.295 5.826 -3.828 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.846 7.310 -5.226 1.00 0.00 C ATOM 0 H LEU A 14 -6.436 7.611 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.882 9.260 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.326 7.767 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.314 8.734 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.334 6.493 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.942 4.969 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.515 5.513 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.200 6.224 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.513 6.433 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.715 7.745 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.042 8.045 -5.193 1.00 0.00 H new ATOM 169 N ARG A 15 -7.591 10.249 -0.594 1.00 0.00 N ATOM 170 CA ARG A 15 -8.185 11.411 0.054 1.00 0.00 C ATOM 171 C ARG A 15 -7.551 11.654 1.421 1.00 0.00 C ATOM 172 O ARG A 15 -6.972 10.747 2.018 1.00 0.00 O ATOM 173 CB ARG A 15 -9.695 11.221 0.207 1.00 0.00 C ATOM 174 CG ARG A 15 -10.085 9.859 0.758 1.00 0.00 C ATOM 175 CD ARG A 15 -11.412 9.917 1.499 1.00 0.00 C ATOM 176 NE ARG A 15 -11.394 10.900 2.579 1.00 0.00 N ATOM 177 CZ ARG A 15 -12.487 11.476 3.066 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.678 11.169 2.573 1.00 0.00 N ATOM 179 NH2 ARG A 15 -12.389 12.361 4.050 1.00 0.00 N ATOM 0 H ARG A 15 -7.510 9.428 0.005 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.998 12.281 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.085 11.996 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.170 11.360 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.154 9.141 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.306 9.501 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.208 10.164 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.642 8.933 1.908 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.493 11.158 2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.757 10.489 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.516 11.613 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.474 12.599 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.229 12.803 4.424 1.00 0.00 H new ATOM 193 N SER A 16 -7.665 12.885 1.910 1.00 0.00 N ATOM 194 CA SER A 16 -7.100 13.249 3.204 1.00 0.00 C ATOM 195 C SER A 16 -7.989 12.758 4.342 1.00 0.00 C ATOM 196 O SER A 16 -8.978 13.402 4.695 1.00 0.00 O ATOM 197 CB SER A 16 -6.922 14.765 3.298 1.00 0.00 C ATOM 198 OG SER A 16 -8.097 15.443 2.889 1.00 0.00 O ATOM 0 H SER A 16 -8.144 13.647 1.429 1.00 0.00 H new ATOM 0 HA SER A 16 -6.125 12.770 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.676 15.043 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.084 15.075 2.674 1.00 0.00 H new ATOM 0 HG SER A 16 -8.873 15.059 3.348 1.00 0.00 H new ATOM 204 N TYR A 17 -7.631 11.613 4.913 1.00 0.00 N ATOM 205 CA TYR A 17 -8.397 11.033 6.010 1.00 0.00 C ATOM 206 C TYR A 17 -7.985 11.645 7.345 1.00 0.00 C ATOM 207 O TYR A 17 -7.113 11.120 8.038 1.00 0.00 O ATOM 208 CB TYR A 17 -8.202 9.516 6.050 1.00 0.00 C ATOM 209 CG TYR A 17 -9.273 8.789 6.830 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.460 8.399 6.221 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.100 8.492 8.176 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.442 7.734 6.930 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.075 7.826 8.892 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.245 7.450 8.265 1.00 0.00 C ATOM 215 OH TYR A 17 -12.220 6.788 8.976 1.00 0.00 O ATOM 0 H TYR A 17 -6.815 11.068 4.634 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.451 11.253 5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.184 9.133 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.230 9.294 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.617 8.620 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.187 8.787 8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.359 7.438 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.922 7.601 9.937 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.803 6.256 9.686 1.00 0.00 H new ATOM 225 N ILE A 18 -8.619 12.758 7.699 1.00 0.00 N ATOM 226 CA ILE A 18 -8.320 13.441 8.951 1.00 0.00 C ATOM 227 C ILE A 18 -9.240 12.965 10.070 1.00 0.00 C ATOM 228 O ILE A 18 -10.461 12.923 9.912 1.00 0.00 O ATOM 229 CB ILE A 18 -8.457 14.968 8.806 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.555 15.478 7.680 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.115 15.658 10.118 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.081 15.430 8.018 1.00 0.00 C ATOM 0 H ILE A 18 -9.343 13.206 7.136 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.288 13.199 9.203 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.491 15.202 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.734 14.883 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.831 16.505 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.217 16.737 9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.794 15.313 10.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.089 15.419 10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.502 15.806 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.888 16.048 8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.789 14.401 8.228 1.00 0.00 H new ATOM 244 N THR A 19 -8.647 12.606 11.205 1.00 0.00 N ATOM 245 CA THR A 19 -9.412 12.133 12.351 1.00 0.00 C ATOM 246 C THR A 19 -8.999 12.860 13.626 1.00 0.00 C ATOM 247 O THR A 19 -8.127 13.729 13.602 1.00 0.00 O ATOM 248 CB THR A 19 -9.234 10.617 12.558 1.00 0.00 C ATOM 249 OG1 THR A 19 -8.121 10.368 13.424 1.00 0.00 O ATOM 250 CG2 THR A 19 -9.016 9.911 11.229 1.00 0.00 C ATOM 0 H THR A 19 -7.638 12.634 11.354 1.00 0.00 H new ATOM 0 HA THR A 19 -10.460 12.343 12.139 1.00 0.00 H new ATOM 0 HB THR A 19 -10.144 10.226 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.814 9.445 13.306 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.893 8.842 11.401 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.878 10.078 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.121 10.307 10.749 1.00 0.00 H new ATOM 258 N ASP A 20 -9.630 12.500 14.738 1.00 0.00 N ATOM 259 CA ASP A 20 -9.326 13.118 16.024 1.00 0.00 C ATOM 260 C ASP A 20 -8.954 12.062 17.060 1.00 0.00 C ATOM 261 O ASP A 20 -8.675 12.382 18.214 1.00 0.00 O ATOM 262 CB ASP A 20 -10.522 13.934 16.516 1.00 0.00 C ATOM 263 CG ASP A 20 -10.209 14.717 17.776 1.00 0.00 C ATOM 264 OD1 ASP A 20 -9.156 15.387 17.812 1.00 0.00 O ATOM 265 OD2 ASP A 20 -11.017 14.660 18.727 1.00 0.00 O ATOM 0 H ASP A 20 -10.355 11.784 14.775 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.473 13.783 15.888 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.835 14.623 15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.361 13.265 16.706 1.00 0.00 H new ATOM 270 N ASN A 21 -8.955 10.801 16.638 1.00 0.00 N ATOM 271 CA ASN A 21 -8.619 9.697 17.530 1.00 0.00 C ATOM 272 C ASN A 21 -7.302 9.046 17.118 1.00 0.00 C ATOM 273 O ASN A 21 -6.874 9.161 15.969 1.00 0.00 O ATOM 274 CB ASN A 21 -9.738 8.654 17.529 1.00 0.00 C ATOM 275 CG ASN A 21 -9.843 7.917 18.850 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.106 8.519 19.891 1.00 0.00 O ATOM 277 ND2 ASN A 21 -9.637 6.605 18.813 1.00 0.00 N ATOM 0 H ASN A 21 -9.184 10.519 15.685 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.506 10.098 18.537 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.687 9.144 17.313 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.561 7.936 16.729 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.694 6.055 19.670 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.422 6.147 17.927 1.00 0.00 H new ATOM 284 N CYS A 22 -6.665 8.362 18.062 1.00 0.00 N ATOM 285 CA CYS A 22 -5.397 7.693 17.798 1.00 0.00 C ATOM 286 C CYS A 22 -5.619 6.385 17.045 1.00 0.00 C ATOM 287 O CYS A 22 -4.989 6.134 16.018 1.00 0.00 O ATOM 288 CB CYS A 22 -4.657 7.421 19.109 1.00 0.00 C ATOM 289 SG CYS A 22 -2.952 6.859 18.891 1.00 0.00 S ATOM 0 H CYS A 22 -7.006 8.256 19.017 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.790 8.351 17.176 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.654 8.332 19.708 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.207 6.669 19.675 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.409 6.658 20.055 1.00 0.00 H new ATOM 295 N SER A 23 -6.518 5.555 17.563 1.00 0.00 N ATOM 296 CA SER A 23 -6.820 4.270 16.943 1.00 0.00 C ATOM 297 C SER A 23 -6.752 4.372 15.422 1.00 0.00 C ATOM 298 O SER A 23 -6.099 3.563 14.762 1.00 0.00 O ATOM 299 CB SER A 23 -8.206 3.786 17.372 1.00 0.00 C ATOM 300 OG SER A 23 -9.226 4.566 16.773 1.00 0.00 O ATOM 0 H SER A 23 -7.050 5.749 18.411 1.00 0.00 H new ATOM 0 HA SER A 23 -6.073 3.549 17.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.332 2.740 17.092 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.293 3.839 18.457 1.00 0.00 H new ATOM 0 HG SER A 23 -10.102 4.236 17.062 1.00 0.00 H new ATOM 306 N LEU A 24 -7.432 5.372 14.872 1.00 0.00 N ATOM 307 CA LEU A 24 -7.450 5.582 13.428 1.00 0.00 C ATOM 308 C LEU A 24 -6.144 6.211 12.953 1.00 0.00 C ATOM 309 O LEU A 24 -5.533 7.010 13.663 1.00 0.00 O ATOM 310 CB LEU A 24 -8.631 6.473 13.037 1.00 0.00 C ATOM 311 CG LEU A 24 -10.019 5.852 13.190 1.00 0.00 C ATOM 312 CD1 LEU A 24 -11.082 6.771 12.608 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.069 4.486 12.520 1.00 0.00 C ATOM 0 H LEU A 24 -7.978 6.050 15.404 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.560 4.611 12.946 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.592 7.380 13.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.503 6.776 11.998 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.222 5.722 14.253 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.064 6.312 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.063 7.727 13.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.882 6.933 11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.065 4.059 12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.844 4.593 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.334 3.827 12.982 1.00 0.00 H new ATOM 325 N LEU A 25 -5.724 5.847 11.746 1.00 0.00 N ATOM 326 CA LEU A 25 -4.491 6.377 11.174 1.00 0.00 C ATOM 327 C LEU A 25 -4.744 7.711 10.478 1.00 0.00 C ATOM 328 O LEU A 25 -5.609 7.816 9.609 1.00 0.00 O ATOM 329 CB LEU A 25 -3.894 5.377 10.182 1.00 0.00 C ATOM 330 CG LEU A 25 -2.685 5.864 9.383 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.514 6.153 10.309 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.294 4.838 8.329 1.00 0.00 C ATOM 0 H LEU A 25 -6.219 5.188 11.145 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.783 6.540 11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.605 4.481 10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.674 5.083 9.480 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.957 6.790 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.663 6.498 9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.798 6.924 11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.241 5.244 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.432 5.201 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.041 3.896 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.129 4.681 7.646 1.00 0.00 H new ATOM 344 N SER A 26 -3.981 8.729 10.866 1.00 0.00 N ATOM 345 CA SER A 26 -4.122 10.057 10.280 1.00 0.00 C ATOM 346 C SER A 26 -3.113 10.265 9.155 1.00 0.00 C ATOM 347 O SER A 26 -1.903 10.228 9.377 1.00 0.00 O ATOM 348 CB SER A 26 -3.937 11.132 11.353 1.00 0.00 C ATOM 349 OG SER A 26 -2.563 11.399 11.575 1.00 0.00 O ATOM 0 H SER A 26 -3.259 8.659 11.583 1.00 0.00 H new ATOM 0 HA SER A 26 -5.126 10.139 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.444 12.047 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.402 10.806 12.283 1.00 0.00 H new ATOM 0 HG SER A 26 -2.020 10.745 11.087 1.00 0.00 H new ATOM 355 N PHE A 27 -3.621 10.485 7.947 1.00 0.00 N ATOM 356 CA PHE A 27 -2.765 10.699 6.786 1.00 0.00 C ATOM 357 C PHE A 27 -3.423 11.654 5.794 1.00 0.00 C ATOM 358 O PHE A 27 -4.649 11.731 5.709 1.00 0.00 O ATOM 359 CB PHE A 27 -2.458 9.366 6.100 1.00 0.00 C ATOM 360 CG PHE A 27 -3.666 8.710 5.495 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.273 9.248 4.372 1.00 0.00 C ATOM 362 CD2 PHE A 27 -4.194 7.555 6.049 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.386 8.647 3.814 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.306 6.949 5.495 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.902 7.496 4.376 1.00 0.00 C ATOM 0 H PHE A 27 -4.621 10.520 7.747 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.833 11.146 7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.715 9.531 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.012 8.687 6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.872 10.147 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.731 7.123 6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.851 9.077 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.708 6.049 5.937 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.771 7.024 3.941 1.00 0.00 H new ATOM 375 N HIS A 28 -2.599 12.381 5.046 1.00 0.00 N ATOM 376 CA HIS A 28 -3.100 13.331 4.059 1.00 0.00 C ATOM 377 C HIS A 28 -3.169 12.693 2.676 1.00 0.00 C ATOM 378 O HIS A 28 -2.816 11.526 2.502 1.00 0.00 O ATOM 379 CB HIS A 28 -2.207 14.572 4.017 1.00 0.00 C ATOM 380 CG HIS A 28 -2.150 15.314 5.317 1.00 0.00 C ATOM 381 ND1 HIS A 28 -1.569 14.795 6.455 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.605 16.543 5.656 1.00 0.00 C ATOM 383 CE1 HIS A 28 -1.670 15.672 7.438 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.294 16.741 6.979 1.00 0.00 N ATOM 0 H HIS A 28 -1.582 12.330 5.105 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.107 13.626 4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.198 14.274 3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.570 15.245 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.117 17.238 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.304 15.537 8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -2.510 17.579 7.520 1.00 0.00 H new ATOM 393 N ARG A 29 -3.626 13.464 1.695 1.00 0.00 N ATOM 394 CA ARG A 29 -3.744 12.973 0.328 1.00 0.00 C ATOM 395 C ARG A 29 -2.369 12.829 -0.318 1.00 0.00 C ATOM 396 O ARG A 29 -1.682 13.819 -0.567 1.00 0.00 O ATOM 397 CB ARG A 29 -4.613 13.918 -0.504 1.00 0.00 C ATOM 398 CG ARG A 29 -4.813 13.458 -1.938 1.00 0.00 C ATOM 399 CD ARG A 29 -5.665 14.442 -2.725 1.00 0.00 C ATOM 400 NE ARG A 29 -7.089 14.137 -2.623 1.00 0.00 N ATOM 401 CZ ARG A 29 -8.048 14.953 -3.047 1.00 0.00 C ATOM 402 NH1 ARG A 29 -7.736 16.117 -3.600 1.00 0.00 N ATOM 403 NH2 ARG A 29 -9.322 14.605 -2.920 1.00 0.00 N ATOM 0 H ARG A 29 -3.921 14.432 1.822 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.216 11.991 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.587 14.019 -0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.156 14.908 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.844 13.345 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.289 12.477 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.484 15.452 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.365 14.424 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.363 13.249 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.758 16.388 -3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.474 16.742 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.566 13.710 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.057 15.233 -3.246 1.00 0.00 H new ATOM 417 N GLY A 30 -1.973 11.588 -0.587 1.00 0.00 N ATOM 418 CA GLY A 30 -0.682 11.338 -1.200 1.00 0.00 C ATOM 419 C GLY A 30 0.249 10.557 -0.294 1.00 0.00 C ATOM 420 O GLY A 30 1.077 9.779 -0.766 1.00 0.00 O ATOM 0 H GLY A 30 -2.524 10.752 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.825 10.787 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.217 12.289 -1.461 1.00 0.00 H new ATOM 424 N ASP A 31 0.114 10.767 1.011 1.00 0.00 N ATOM 425 CA ASP A 31 0.951 10.077 1.986 1.00 0.00 C ATOM 426 C ASP A 31 0.935 8.571 1.747 1.00 0.00 C ATOM 427 O ASP A 31 -0.016 7.882 2.119 1.00 0.00 O ATOM 428 CB ASP A 31 0.475 10.385 3.407 1.00 0.00 C ATOM 429 CG ASP A 31 1.063 11.674 3.948 1.00 0.00 C ATOM 430 OD1 ASP A 31 0.710 12.752 3.427 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.876 11.603 4.893 1.00 0.00 O ATOM 0 H ASP A 31 -0.566 11.409 1.418 1.00 0.00 H new ATOM 0 HA ASP A 31 1.974 10.435 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.613 10.453 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.748 9.560 4.065 1.00 0.00 H new ATOM 436 N LEU A 32 1.994 8.065 1.124 1.00 0.00 N ATOM 437 CA LEU A 32 2.102 6.639 0.834 1.00 0.00 C ATOM 438 C LEU A 32 2.053 5.817 2.117 1.00 0.00 C ATOM 439 O LEU A 32 2.982 5.853 2.925 1.00 0.00 O ATOM 440 CB LEU A 32 3.400 6.350 0.077 1.00 0.00 C ATOM 441 CG LEU A 32 3.780 4.875 -0.063 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.565 4.646 -1.345 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.581 4.414 1.145 1.00 0.00 C ATOM 0 H LEU A 32 2.790 8.621 0.810 1.00 0.00 H new ATOM 0 HA LEU A 32 1.254 6.354 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.319 6.780 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.215 6.868 0.582 1.00 0.00 H new ATOM 0 HG LEU A 32 2.864 4.286 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.827 3.591 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.956 4.937 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.475 5.245 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.843 3.362 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.492 5.008 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.984 4.541 2.048 1.00 0.00 H new ATOM 455 N ILE A 33 0.966 5.075 2.298 1.00 0.00 N ATOM 456 CA ILE A 33 0.799 4.241 3.482 1.00 0.00 C ATOM 457 C ILE A 33 1.602 2.950 3.363 1.00 0.00 C ATOM 458 O ILE A 33 1.338 2.119 2.495 1.00 0.00 O ATOM 459 CB ILE A 33 -0.682 3.890 3.719 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.535 5.161 3.726 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.843 3.130 5.027 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.963 4.933 3.284 1.00 0.00 C ATOM 0 H ILE A 33 0.188 5.034 1.640 1.00 0.00 H new ATOM 0 HA ILE A 33 1.168 4.819 4.329 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.024 3.250 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.537 5.582 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.075 5.901 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.895 2.889 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.262 2.209 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.488 3.747 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.508 5.876 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.971 4.541 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.441 4.217 3.952 1.00 0.00 H new ATOM 474 N LYS A 34 2.585 2.789 4.243 1.00 0.00 N ATOM 475 CA LYS A 34 3.426 1.598 4.240 1.00 0.00 C ATOM 476 C LYS A 34 2.700 0.417 4.876 1.00 0.00 C ATOM 477 O LYS A 34 2.287 0.480 6.035 1.00 0.00 O ATOM 478 CB LYS A 34 4.733 1.870 4.989 1.00 0.00 C ATOM 479 CG LYS A 34 5.853 0.911 4.626 1.00 0.00 C ATOM 480 CD LYS A 34 6.842 0.751 5.768 1.00 0.00 C ATOM 481 CE LYS A 34 7.992 -0.169 5.386 1.00 0.00 C ATOM 482 NZ LYS A 34 9.108 -0.101 6.369 1.00 0.00 N ATOM 0 H LYS A 34 2.819 3.468 4.967 1.00 0.00 H new ATOM 0 HA LYS A 34 3.653 1.347 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.057 2.889 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.547 1.809 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.432 -0.061 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.374 1.277 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.235 1.728 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.329 0.350 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.629 -1.195 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.362 0.104 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.871 -0.742 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.472 0.872 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.762 -0.386 7.307 1.00 0.00 H new ATOM 496 N LEU A 35 2.550 -0.660 4.113 1.00 0.00 N ATOM 497 CA LEU A 35 1.874 -1.857 4.603 1.00 0.00 C ATOM 498 C LEU A 35 2.724 -2.571 5.649 1.00 0.00 C ATOM 499 O LEU A 35 3.792 -3.101 5.341 1.00 0.00 O ATOM 500 CB LEU A 35 1.570 -2.805 3.442 1.00 0.00 C ATOM 501 CG LEU A 35 0.331 -2.472 2.610 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.900 -2.384 3.498 1.00 0.00 C ATOM 503 CD2 LEU A 35 0.535 -1.171 1.847 1.00 0.00 C ATOM 0 H LEU A 35 2.887 -0.729 3.153 1.00 0.00 H new ATOM 0 HA LEU A 35 0.937 -1.552 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.434 -2.823 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.454 -3.812 3.842 1.00 0.00 H new ATOM 0 HG LEU A 35 0.176 -3.273 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.772 -2.146 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.057 -3.340 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.755 -1.603 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.357 -0.950 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.716 -0.360 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.392 -1.270 1.181 1.00 0.00 H new ATOM 515 N LEU A 36 2.241 -2.583 6.887 1.00 0.00 N ATOM 516 CA LEU A 36 2.955 -3.235 7.980 1.00 0.00 C ATOM 517 C LEU A 36 2.433 -4.651 8.203 1.00 0.00 C ATOM 518 O LEU A 36 1.261 -4.950 7.973 1.00 0.00 O ATOM 519 CB LEU A 36 2.813 -2.419 9.266 1.00 0.00 C ATOM 520 CG LEU A 36 3.411 -1.012 9.237 1.00 0.00 C ATOM 521 CD1 LEU A 36 3.084 -0.266 10.522 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.917 -1.076 9.025 1.00 0.00 C ATOM 0 H LEU A 36 1.359 -2.149 7.159 1.00 0.00 H new ATOM 0 HA LEU A 36 4.009 -3.294 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.753 -2.337 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.281 -2.974 10.079 1.00 0.00 H new ATOM 0 HG LEU A 36 2.969 -0.468 8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.518 0.733 10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.002 -0.188 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.497 -0.808 11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.325 -0.065 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.375 -1.638 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.130 -1.570 8.077 1.00 0.00 H new ATOM 534 N PRO A 37 3.322 -5.543 8.663 1.00 0.00 N ATOM 535 CA PRO A 37 2.974 -6.942 8.930 1.00 0.00 C ATOM 536 C PRO A 37 2.053 -7.090 10.137 1.00 0.00 C ATOM 537 O PRO A 37 2.494 -6.993 11.282 1.00 0.00 O ATOM 538 CB PRO A 37 4.329 -7.598 9.208 1.00 0.00 C ATOM 539 CG PRO A 37 5.196 -6.487 9.689 1.00 0.00 C ATOM 540 CD PRO A 37 4.736 -5.256 8.959 1.00 0.00 C ATOM 0 HA PRO A 37 2.429 -7.392 8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.242 -8.385 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.738 -8.058 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.103 -6.359 10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.246 -6.694 9.482 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.845 -4.361 9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.312 -5.090 8.048 1.00 0.00 H new ATOM 548 N VAL A 38 0.772 -7.326 9.872 1.00 0.00 N ATOM 549 CA VAL A 38 -0.211 -7.490 10.937 1.00 0.00 C ATOM 550 C VAL A 38 -0.725 -8.924 10.995 1.00 0.00 C ATOM 551 O VAL A 38 -0.818 -9.602 9.972 1.00 0.00 O ATOM 552 CB VAL A 38 -1.405 -6.535 10.749 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.997 -6.687 9.356 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.460 -6.786 11.816 1.00 0.00 C ATOM 0 H VAL A 38 0.391 -7.408 8.930 1.00 0.00 H new ATOM 0 HA VAL A 38 0.293 -7.250 11.873 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.049 -5.510 10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.839 -6.004 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.237 -6.453 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.339 -7.712 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.296 -6.103 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.814 -7.814 11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.026 -6.621 12.802 1.00 0.00 H new ATOM 564 N ALA A 39 -1.058 -9.379 12.198 1.00 0.00 N ATOM 565 CA ALA A 39 -1.566 -10.732 12.389 1.00 0.00 C ATOM 566 C ALA A 39 -2.940 -10.898 11.750 1.00 0.00 C ATOM 567 O ALA A 39 -3.114 -11.690 10.823 1.00 0.00 O ATOM 568 CB ALA A 39 -1.627 -11.067 13.872 1.00 0.00 C ATOM 0 H ALA A 39 -0.985 -8.831 13.055 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.881 -11.424 11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.008 -12.080 14.001 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.628 -10.998 14.302 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.289 -10.363 14.377 1.00 0.00 H new ATOM 574 N THR A 40 -3.916 -10.146 12.251 1.00 0.00 N ATOM 575 CA THR A 40 -5.276 -10.212 11.730 1.00 0.00 C ATOM 576 C THR A 40 -5.828 -8.817 11.458 1.00 0.00 C ATOM 577 O THR A 40 -5.423 -7.843 12.094 1.00 0.00 O ATOM 578 CB THR A 40 -6.216 -10.943 12.706 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.489 -11.162 12.088 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.399 -10.141 13.985 1.00 0.00 C ATOM 0 H THR A 40 -3.789 -9.484 13.017 1.00 0.00 H new ATOM 0 HA THR A 40 -5.230 -10.770 10.795 1.00 0.00 H new ATOM 0 HB THR A 40 -5.765 -11.903 12.960 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.081 -11.629 12.714 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.067 -10.678 14.659 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.432 -10.001 14.468 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.829 -9.168 13.746 1.00 0.00 H new ATOM 588 N LEU A 41 -6.756 -8.728 10.512 1.00 0.00 N ATOM 589 CA LEU A 41 -7.366 -7.451 10.156 1.00 0.00 C ATOM 590 C LEU A 41 -8.864 -7.610 9.922 1.00 0.00 C ATOM 591 O LEU A 41 -9.372 -8.727 9.825 1.00 0.00 O ATOM 592 CB LEU A 41 -6.700 -6.876 8.905 1.00 0.00 C ATOM 593 CG LEU A 41 -5.493 -5.968 9.143 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.739 -5.730 7.844 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.933 -4.647 9.757 1.00 0.00 C ATOM 0 H LEU A 41 -7.103 -9.524 9.977 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.218 -6.762 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.386 -7.705 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.448 -6.313 8.346 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.821 -6.465 9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.883 -5.082 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.391 -6.683 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.401 -5.255 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.061 -4.013 9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.626 -4.145 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.427 -4.835 10.710 1.00 0.00 H new ATOM 607 N GLU A 42 -9.566 -6.484 9.829 1.00 0.00 N ATOM 608 CA GLU A 42 -11.007 -6.500 9.604 1.00 0.00 C ATOM 609 C GLU A 42 -11.324 -6.638 8.118 1.00 0.00 C ATOM 610 O GLU A 42 -10.491 -6.371 7.252 1.00 0.00 O ATOM 611 CB GLU A 42 -11.646 -5.224 10.157 1.00 0.00 C ATOM 612 CG GLU A 42 -12.056 -5.331 11.616 1.00 0.00 C ATOM 613 CD GLU A 42 -10.866 -5.398 12.553 1.00 0.00 C ATOM 614 OE1 GLU A 42 -10.085 -6.367 12.451 1.00 0.00 O ATOM 615 OE2 GLU A 42 -10.716 -4.483 13.389 1.00 0.00 O ATOM 0 H GLU A 42 -9.161 -5.551 9.906 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.421 -7.362 10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.943 -4.398 10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.524 -4.979 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.674 -4.472 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.671 -6.220 11.752 1.00 0.00 H new ATOM 622 N PRO A 43 -12.558 -7.066 7.814 1.00 0.00 N ATOM 623 CA PRO A 43 -13.015 -7.250 6.433 1.00 0.00 C ATOM 624 C PRO A 43 -13.187 -5.925 5.699 1.00 0.00 C ATOM 625 O PRO A 43 -14.296 -5.401 5.596 1.00 0.00 O ATOM 626 CB PRO A 43 -14.366 -7.951 6.597 1.00 0.00 C ATOM 627 CG PRO A 43 -14.839 -7.550 7.951 1.00 0.00 C ATOM 628 CD PRO A 43 -13.604 -7.403 8.795 1.00 0.00 C ATOM 0 HA PRO A 43 -12.297 -7.814 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.069 -7.641 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.263 -9.033 6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.396 -6.614 7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.510 -8.301 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.720 -6.619 9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.371 -8.324 9.330 1.00 0.00 H new ATOM 636 N GLY A 44 -12.083 -5.389 5.187 1.00 0.00 N ATOM 637 CA GLY A 44 -12.135 -4.130 4.468 1.00 0.00 C ATOM 638 C GLY A 44 -11.320 -3.044 5.141 1.00 0.00 C ATOM 639 O GLY A 44 -11.524 -1.857 4.886 1.00 0.00 O ATOM 0 H GLY A 44 -11.154 -5.804 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.767 -4.279 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.172 -3.804 4.387 1.00 0.00 H new ATOM 643 N TRP A 45 -10.395 -3.449 6.004 1.00 0.00 N ATOM 644 CA TRP A 45 -9.548 -2.501 6.718 1.00 0.00 C ATOM 645 C TRP A 45 -8.080 -2.705 6.359 1.00 0.00 C ATOM 646 O TRP A 45 -7.728 -3.665 5.673 1.00 0.00 O ATOM 647 CB TRP A 45 -9.741 -2.648 8.228 1.00 0.00 C ATOM 648 CG TRP A 45 -10.984 -1.981 8.736 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.255 -2.479 8.697 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.073 -0.694 9.356 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.130 -1.578 9.256 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.429 -0.476 9.668 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.140 0.294 9.679 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -12.872 0.691 10.287 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.581 1.452 10.292 1.00 0.00 C ATOM 656 CH2 TRP A 45 -11.936 1.642 10.592 1.00 0.00 C ATOM 0 H TRP A 45 -10.213 -4.428 6.226 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.840 -1.495 6.418 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.777 -3.708 8.481 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.876 -2.227 8.740 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.532 -3.439 8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.137 -1.709 9.349 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.093 0.156 9.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -13.916 0.840 10.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.868 2.224 10.544 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.248 2.557 11.073 1.00 0.00 H new ATOM 667 N GLN A 46 -7.229 -1.798 6.827 1.00 0.00 N ATOM 668 CA GLN A 46 -5.799 -1.880 6.553 1.00 0.00 C ATOM 669 C GLN A 46 -4.990 -1.302 7.709 1.00 0.00 C ATOM 670 O GLN A 46 -5.346 -0.267 8.274 1.00 0.00 O ATOM 671 CB GLN A 46 -5.462 -1.139 5.258 1.00 0.00 C ATOM 672 CG GLN A 46 -5.900 -1.877 4.003 1.00 0.00 C ATOM 673 CD GLN A 46 -5.146 -1.425 2.768 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.580 -0.516 2.061 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.010 -2.060 2.502 1.00 0.00 N ATOM 0 H GLN A 46 -7.504 -0.998 7.397 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.536 -2.932 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.936 -0.158 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.386 -0.972 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.750 -2.947 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.968 -1.722 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.688 -2.808 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.460 -1.799 1.684 1.00 0.00 H new ATOM 684 N PHE A 47 -3.899 -1.977 8.057 1.00 0.00 N ATOM 685 CA PHE A 47 -3.039 -1.530 9.148 1.00 0.00 C ATOM 686 C PHE A 47 -1.631 -1.231 8.642 1.00 0.00 C ATOM 687 O PHE A 47 -0.974 -2.092 8.057 1.00 0.00 O ATOM 688 CB PHE A 47 -2.984 -2.591 10.249 1.00 0.00 C ATOM 689 CG PHE A 47 -2.127 -2.197 11.418 1.00 0.00 C ATOM 690 CD1 PHE A 47 -0.761 -2.427 11.402 1.00 0.00 C ATOM 691 CD2 PHE A 47 -2.689 -1.598 12.534 1.00 0.00 C ATOM 692 CE1 PHE A 47 0.030 -2.065 12.476 1.00 0.00 C ATOM 693 CE2 PHE A 47 -1.903 -1.234 13.611 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.542 -1.469 13.582 1.00 0.00 C ATOM 0 H PHE A 47 -3.589 -2.835 7.600 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.461 -0.613 9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.996 -2.790 10.601 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.604 -3.522 9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.309 -2.895 10.540 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.753 -1.414 12.563 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.094 -2.248 12.450 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.352 -0.766 14.474 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.074 -1.187 14.423 1.00 0.00 H new ATOM 704 N GLY A 48 -1.174 -0.004 8.872 1.00 0.00 N ATOM 705 CA GLY A 48 0.153 0.388 8.433 1.00 0.00 C ATOM 706 C GLY A 48 0.574 1.733 8.990 1.00 0.00 C ATOM 707 O GLY A 48 -0.067 2.266 9.897 1.00 0.00 O ATOM 0 H GLY A 48 -1.699 0.726 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.873 -0.371 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.176 0.426 7.344 1.00 0.00 H new ATOM 711 N SER A 49 1.655 2.284 8.449 1.00 0.00 N ATOM 712 CA SER A 49 2.164 3.573 8.901 1.00 0.00 C ATOM 713 C SER A 49 2.181 4.583 7.757 1.00 0.00 C ATOM 714 O SER A 49 2.603 4.269 6.644 1.00 0.00 O ATOM 715 CB SER A 49 3.573 3.416 9.477 1.00 0.00 C ATOM 716 OG SER A 49 4.153 4.677 9.760 1.00 0.00 O ATOM 0 H SER A 49 2.196 1.858 7.697 1.00 0.00 H new ATOM 0 HA SER A 49 1.499 3.944 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.532 2.819 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.200 2.875 8.769 1.00 0.00 H new ATOM 0 HG SER A 49 5.052 4.548 10.128 1.00 0.00 H new ATOM 722 N ALA A 50 1.718 5.796 8.040 1.00 0.00 N ATOM 723 CA ALA A 50 1.681 6.853 7.037 1.00 0.00 C ATOM 724 C ALA A 50 2.496 8.062 7.483 1.00 0.00 C ATOM 725 O ALA A 50 2.051 9.202 7.359 1.00 0.00 O ATOM 726 CB ALA A 50 0.243 7.259 6.751 1.00 0.00 C ATOM 0 H ALA A 50 1.363 6.071 8.956 1.00 0.00 H new ATOM 0 HA ALA A 50 2.127 6.466 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.230 8.049 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.311 6.397 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.222 7.622 7.668 1.00 0.00 H new ATOM 732 N GLY A 51 3.692 7.805 8.004 1.00 0.00 N ATOM 733 CA GLY A 51 4.549 8.883 8.461 1.00 0.00 C ATOM 734 C GLY A 51 5.414 8.476 9.638 1.00 0.00 C ATOM 735 O GLY A 51 6.626 8.689 9.630 1.00 0.00 O ATOM 0 H GLY A 51 4.082 6.870 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.188 9.208 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.934 9.737 8.744 1.00 0.00 H new ATOM 739 N GLY A 52 4.789 7.891 10.655 1.00 0.00 N ATOM 740 CA GLY A 52 5.525 7.465 11.831 1.00 0.00 C ATOM 741 C GLY A 52 4.682 6.623 12.769 1.00 0.00 C ATOM 742 O GLY A 52 5.200 5.747 13.462 1.00 0.00 O ATOM 0 H GLY A 52 3.787 7.705 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.400 6.893 11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.891 8.342 12.365 1.00 0.00 H new ATOM 746 N ARG A 53 3.380 6.889 12.792 1.00 0.00 N ATOM 747 CA ARG A 53 2.465 6.151 13.654 1.00 0.00 C ATOM 748 C ARG A 53 1.668 5.127 12.850 1.00 0.00 C ATOM 749 O ARG A 53 1.481 5.280 11.643 1.00 0.00 O ATOM 750 CB ARG A 53 1.510 7.113 14.363 1.00 0.00 C ATOM 751 CG ARG A 53 0.183 6.481 14.749 1.00 0.00 C ATOM 752 CD ARG A 53 -0.677 7.439 15.558 1.00 0.00 C ATOM 753 NE ARG A 53 -0.014 7.863 16.788 1.00 0.00 N ATOM 754 CZ ARG A 53 0.845 8.875 16.849 1.00 0.00 C ATOM 755 NH1 ARG A 53 1.142 9.563 15.756 1.00 0.00 N ATOM 756 NH2 ARG A 53 1.407 9.201 18.006 1.00 0.00 N ATOM 0 H ARG A 53 2.935 7.610 12.224 1.00 0.00 H new ATOM 0 HA ARG A 53 3.057 5.621 14.401 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.995 7.497 15.261 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.320 7.967 13.713 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.353 6.181 13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.365 5.576 15.329 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.912 8.314 14.953 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.623 6.957 15.804 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.222 7.354 17.647 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.711 9.316 14.865 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.802 10.339 15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.180 8.675 18.850 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.066 9.978 18.052 1.00 0.00 H new ATOM 770 N SER A 54 1.201 4.084 13.528 1.00 0.00 N ATOM 771 CA SER A 54 0.429 3.032 12.877 1.00 0.00 C ATOM 772 C SER A 54 -0.999 2.995 13.415 1.00 0.00 C ATOM 773 O SER A 54 -1.221 2.766 14.603 1.00 0.00 O ATOM 774 CB SER A 54 1.100 1.673 13.085 1.00 0.00 C ATOM 775 OG SER A 54 1.159 1.339 14.461 1.00 0.00 O ATOM 0 H SER A 54 1.344 3.945 14.528 1.00 0.00 H new ATOM 0 HA SER A 54 0.392 3.250 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.548 0.905 12.544 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.107 1.694 12.669 1.00 0.00 H new ATOM 0 HG SER A 54 0.456 1.820 14.945 1.00 0.00 H new ATOM 781 N GLY A 55 -1.964 3.221 12.529 1.00 0.00 N ATOM 782 CA GLY A 55 -3.358 3.210 12.932 1.00 0.00 C ATOM 783 C GLY A 55 -4.223 2.378 12.006 1.00 0.00 C ATOM 784 O GLY A 55 -3.711 1.607 11.193 1.00 0.00 O ATOM 0 H GLY A 55 -1.805 3.411 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.437 2.819 13.946 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.735 4.233 12.955 1.00 0.00 H new ATOM 788 N LEU A 56 -5.536 2.532 12.128 1.00 0.00 N ATOM 789 CA LEU A 56 -6.475 1.787 11.296 1.00 0.00 C ATOM 790 C LEU A 56 -7.148 2.704 10.279 1.00 0.00 C ATOM 791 O LEU A 56 -7.499 3.842 10.592 1.00 0.00 O ATOM 792 CB LEU A 56 -7.534 1.110 12.167 1.00 0.00 C ATOM 793 CG LEU A 56 -7.099 -0.174 12.875 1.00 0.00 C ATOM 794 CD1 LEU A 56 -6.768 -1.258 11.860 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.906 0.093 13.780 1.00 0.00 C ATOM 0 H LEU A 56 -5.975 3.166 12.795 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.916 1.023 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.865 1.823 12.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.398 0.882 11.543 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.927 -0.523 13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.461 -2.164 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.649 -1.470 11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.957 -0.918 11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.611 -0.832 14.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.074 0.467 13.184 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.178 0.836 14.530 1.00 0.00 H new ATOM 807 N PHE A 57 -7.326 2.201 9.063 1.00 0.00 N ATOM 808 CA PHE A 57 -7.957 2.974 8.000 1.00 0.00 C ATOM 809 C PHE A 57 -8.675 2.058 7.014 1.00 0.00 C ATOM 810 O PHE A 57 -8.277 0.916 6.785 1.00 0.00 O ATOM 811 CB PHE A 57 -6.914 3.817 7.264 1.00 0.00 C ATOM 812 CG PHE A 57 -5.940 3.000 6.464 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.834 2.427 7.070 1.00 0.00 C ATOM 814 CD2 PHE A 57 -6.131 2.805 5.105 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.935 1.676 6.336 1.00 0.00 C ATOM 816 CE2 PHE A 57 -5.236 2.055 4.366 1.00 0.00 C ATOM 817 CZ PHE A 57 -4.137 1.489 4.983 1.00 0.00 C ATOM 0 H PHE A 57 -7.042 1.261 8.789 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.693 3.637 8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.425 4.513 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.364 4.415 7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.672 2.569 8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.989 3.244 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.076 1.236 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.395 1.911 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.437 0.901 4.408 1.00 0.00 H new ATOM 827 N PRO A 58 -9.761 2.569 6.414 1.00 0.00 N ATOM 828 CA PRO A 58 -10.558 1.815 5.443 1.00 0.00 C ATOM 829 C PRO A 58 -9.815 1.596 4.129 1.00 0.00 C ATOM 830 O PRO A 58 -9.144 2.496 3.627 1.00 0.00 O ATOM 831 CB PRO A 58 -11.784 2.705 5.222 1.00 0.00 C ATOM 832 CG PRO A 58 -11.316 4.081 5.547 1.00 0.00 C ATOM 833 CD PRO A 58 -10.293 3.924 6.638 1.00 0.00 C ATOM 0 HA PRO A 58 -10.800 0.815 5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.140 2.640 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.612 2.406 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.881 4.562 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.145 4.707 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.511 4.680 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.742 4.021 7.627 1.00 0.00 H new ATOM 841 N ALA A 59 -9.941 0.393 3.577 1.00 0.00 N ATOM 842 CA ALA A 59 -9.284 0.057 2.320 1.00 0.00 C ATOM 843 C ALA A 59 -10.169 0.402 1.128 1.00 0.00 C ATOM 844 O ALA A 59 -10.147 -0.284 0.106 1.00 0.00 O ATOM 845 CB ALA A 59 -8.914 -1.419 2.296 1.00 0.00 C ATOM 0 H ALA A 59 -10.492 -0.365 3.981 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.373 0.650 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.424 -1.656 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.236 -1.638 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.816 -2.022 2.398 1.00 0.00 H new ATOM 851 N ASP A 60 -10.949 1.469 1.265 1.00 0.00 N ATOM 852 CA ASP A 60 -11.842 1.906 0.199 1.00 0.00 C ATOM 853 C ASP A 60 -11.560 3.355 -0.188 1.00 0.00 C ATOM 854 O ASP A 60 -12.306 3.958 -0.960 1.00 0.00 O ATOM 855 CB ASP A 60 -13.301 1.756 0.633 1.00 0.00 C ATOM 856 CG ASP A 60 -13.810 0.337 0.469 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.075 -0.068 -0.682 1.00 0.00 O ATOM 858 OD2 ASP A 60 -13.945 -0.367 1.491 1.00 0.00 O ATOM 0 H ASP A 60 -10.981 2.047 2.105 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.663 1.275 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.400 2.056 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.923 2.432 0.047 1.00 0.00 H new ATOM 863 N ILE A 61 -10.481 3.907 0.356 1.00 0.00 N ATOM 864 CA ILE A 61 -10.101 5.285 0.068 1.00 0.00 C ATOM 865 C ILE A 61 -8.621 5.385 -0.285 1.00 0.00 C ATOM 866 O ILE A 61 -8.023 6.457 -0.203 1.00 0.00 O ATOM 867 CB ILE A 61 -10.396 6.211 1.262 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.362 5.997 2.369 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.802 5.965 1.789 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.537 6.929 3.548 1.00 0.00 C ATOM 0 H ILE A 61 -9.855 3.422 0.998 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.698 5.605 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.331 7.245 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.424 4.966 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.363 6.133 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.995 6.627 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.526 6.163 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.893 4.928 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.770 6.720 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.445 7.962 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.522 6.777 3.989 1.00 0.00 H new ATOM 882 N VAL A 62 -8.035 4.259 -0.681 1.00 0.00 N ATOM 883 CA VAL A 62 -6.625 4.220 -1.050 1.00 0.00 C ATOM 884 C VAL A 62 -6.410 3.386 -2.309 1.00 0.00 C ATOM 885 O VAL A 62 -7.062 2.361 -2.505 1.00 0.00 O ATOM 886 CB VAL A 62 -5.763 3.642 0.088 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.959 4.444 1.366 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.092 2.175 0.314 1.00 0.00 C ATOM 0 H VAL A 62 -8.515 3.362 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.319 5.248 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.715 3.714 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.342 4.021 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.668 5.480 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.007 4.406 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.473 1.784 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.144 2.075 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.895 1.613 -0.599 1.00 0.00 H new ATOM 898 N GLN A 63 -5.490 3.834 -3.158 1.00 0.00 N ATOM 899 CA GLN A 63 -5.189 3.129 -4.398 1.00 0.00 C ATOM 900 C GLN A 63 -3.766 2.581 -4.381 1.00 0.00 C ATOM 901 O GLN A 63 -2.874 3.122 -3.727 1.00 0.00 O ATOM 902 CB GLN A 63 -5.375 4.061 -5.597 1.00 0.00 C ATOM 903 CG GLN A 63 -4.412 5.237 -5.609 1.00 0.00 C ATOM 904 CD GLN A 63 -4.232 5.830 -6.993 1.00 0.00 C ATOM 905 OE1 GLN A 63 -4.168 5.107 -7.987 1.00 0.00 O ATOM 906 NE2 GLN A 63 -4.150 7.153 -7.064 1.00 0.00 N ATOM 0 H GLN A 63 -4.941 4.681 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.880 2.291 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.247 3.488 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.397 4.439 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.779 6.009 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.444 4.913 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.208 7.714 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.029 7.609 -7.969 1.00 0.00 H new ATOM 915 N PRO A 64 -3.546 1.482 -5.117 1.00 0.00 N ATOM 916 CA PRO A 64 -2.232 0.837 -5.203 1.00 0.00 C ATOM 917 C PRO A 64 -1.223 1.677 -5.979 1.00 0.00 C ATOM 918 O PRO A 64 -1.598 2.495 -6.818 1.00 0.00 O ATOM 919 CB PRO A 64 -2.526 -0.468 -5.948 1.00 0.00 C ATOM 920 CG PRO A 64 -3.753 -0.183 -6.743 1.00 0.00 C ATOM 921 CD PRO A 64 -4.562 0.784 -5.923 1.00 0.00 C ATOM 0 HA PRO A 64 -1.784 0.692 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.694 -0.752 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.687 -1.293 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.499 0.245 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.315 -1.097 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.120 1.476 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.288 0.268 -5.295 1.00 0.00 H new ATOM 929 N ALA A 65 0.058 1.469 -5.692 1.00 0.00 N ATOM 930 CA ALA A 65 1.120 2.206 -6.365 1.00 0.00 C ATOM 931 C ALA A 65 2.385 1.362 -6.480 1.00 0.00 C ATOM 932 O ALA A 65 2.810 0.728 -5.514 1.00 0.00 O ATOM 933 CB ALA A 65 1.414 3.502 -5.625 1.00 0.00 C ATOM 0 H ALA A 65 0.385 0.796 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 65 0.780 2.445 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.209 4.042 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.515 4.118 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.729 3.276 -4.606 1.00 0.00 H new ATOM 939 N ALA A 66 2.983 1.358 -7.667 1.00 0.00 N ATOM 940 CA ALA A 66 4.200 0.593 -7.908 1.00 0.00 C ATOM 941 C ALA A 66 5.193 0.768 -6.764 1.00 0.00 C ATOM 942 O ALA A 66 5.744 1.850 -6.568 1.00 0.00 O ATOM 943 CB ALA A 66 4.833 1.010 -9.227 1.00 0.00 C ATOM 0 H ALA A 66 2.644 1.877 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 66 3.932 -0.462 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.741 0.431 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.131 0.828 -10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.081 2.071 -9.192 1.00 0.00 H new ATOM 949 N ALA A 67 5.416 -0.304 -6.011 1.00 0.00 N ATOM 950 CA ALA A 67 6.344 -0.269 -4.887 1.00 0.00 C ATOM 951 C ALA A 67 7.693 0.304 -5.307 1.00 0.00 C ATOM 952 O ALA A 67 8.168 0.084 -6.421 1.00 0.00 O ATOM 953 CB ALA A 67 6.519 -1.664 -4.304 1.00 0.00 C ATOM 0 H ALA A 67 4.967 -1.208 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 67 5.924 0.383 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.214 -1.623 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.555 -2.037 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.913 -2.332 -5.070 1.00 0.00 H new