USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 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 23 GLN : amide:sc= 0.74 K(o=1.3,f=-0.061) USER MOD Set 1.2: A 29 GLN : amide:sc= 0.589 K(o=1.3,f=-0.31) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.35 (180deg=0.651) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.022) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.536 K(o=0.54,f=-5!) USER MOD Single : A 18 MET CE :methyl -161:sc= -0.314 (180deg=-1.05) USER MOD Single : A 22 SER OG : rot 74:sc= 0.826 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 37:sc= 0.0337 USER MOD Single : A 32 THR OG1 : rot -56:sc= 0.183 USER MOD Single : A 34 CYS SG : rot 75:sc= 1.2 USER MOD Single : A 35 SER OG : rot 79:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0568 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 53 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.91) USER MOD Single : A 54 HIS : no HE2:sc= 0.532 K(o=0.53,f=-1.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.00492 K(o=0.0049,f=-0.92) USER MOD Single : A 86 SER OG : rot -83:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.16) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.09 (180deg=0.904) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.343 -19.057 22.501 1.00 0.00 N ATOM 2 CA MET A 1 3.740 -18.798 22.089 1.00 0.00 C ATOM 3 C MET A 1 4.391 -20.085 21.619 1.00 0.00 C ATOM 4 O MET A 1 3.755 -21.139 21.610 1.00 0.00 O ATOM 5 CB MET A 1 4.555 -18.212 23.245 1.00 0.00 C ATOM 6 CG MET A 1 4.152 -16.803 23.645 1.00 0.00 C ATOM 7 SD MET A 1 2.501 -16.718 24.365 1.00 0.00 S ATOM 8 CE MET A 1 2.398 -14.969 24.726 1.00 0.00 C ATOM 0 H1 MET A 1 2.021 -18.297 23.134 1.00 0.00 H new ATOM 0 H2 MET A 1 1.733 -19.088 21.659 1.00 0.00 H new ATOM 0 H3 MET A 1 2.291 -19.968 22.999 1.00 0.00 H new ATOM 0 HA MET A 1 3.721 -18.076 21.273 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.455 -18.865 24.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.609 -18.210 22.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.875 -16.414 24.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.193 -16.157 22.768 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.432 -14.747 25.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.194 -14.693 25.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.505 -14.400 23.803 1.00 0.00 H new ATOM 20 N THR A 2 5.659 -19.987 21.231 1.00 0.00 N ATOM 21 CA THR A 2 6.433 -21.135 20.784 1.00 0.00 C ATOM 22 C THR A 2 5.910 -21.665 19.448 1.00 0.00 C ATOM 23 O THR A 2 5.093 -22.587 19.396 1.00 0.00 O ATOM 24 CB THR A 2 6.458 -22.266 21.843 1.00 0.00 C ATOM 25 OG1 THR A 2 6.952 -21.752 23.093 1.00 0.00 O ATOM 26 CG2 THR A 2 7.342 -23.422 21.390 1.00 0.00 C ATOM 0 H THR A 2 6.177 -19.108 21.218 1.00 0.00 H new ATOM 0 HA THR A 2 7.458 -20.792 20.644 1.00 0.00 H new ATOM 0 HB THR A 2 5.440 -22.635 21.969 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.964 -22.470 23.760 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.341 -24.201 22.152 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.958 -23.829 20.455 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.360 -23.064 21.239 1.00 0.00 H new ATOM 34 N LYS A 3 6.354 -21.030 18.372 1.00 0.00 N ATOM 35 CA LYS A 3 6.044 -21.476 17.019 1.00 0.00 C ATOM 36 C LYS A 3 7.299 -21.357 16.171 1.00 0.00 C ATOM 37 O LYS A 3 7.930 -22.354 15.816 1.00 0.00 O ATOM 38 CB LYS A 3 4.926 -20.631 16.385 1.00 0.00 C ATOM 39 CG LYS A 3 3.604 -20.655 17.139 1.00 0.00 C ATOM 40 CD LYS A 3 2.511 -19.920 16.374 1.00 0.00 C ATOM 41 CE LYS A 3 2.891 -18.472 16.105 1.00 0.00 C ATOM 42 NZ LYS A 3 1.892 -17.784 15.243 1.00 0.00 N ATOM 0 H LYS A 3 6.937 -20.194 18.411 1.00 0.00 H new ATOM 0 HA LYS A 3 5.699 -22.509 17.066 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.267 -19.599 16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.755 -20.984 15.368 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.299 -21.688 17.308 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.735 -20.196 18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.323 -20.429 15.429 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.582 -19.953 16.944 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.981 -17.939 17.052 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.869 -18.437 15.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.189 -16.800 15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.824 -18.277 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.964 -17.794 15.712 1.00 0.00 H new ATOM 56 N ASN A 4 7.646 -20.113 15.870 1.00 0.00 N ATOM 57 CA ASN A 4 8.868 -19.773 15.158 1.00 0.00 C ATOM 58 C ASN A 4 9.107 -18.273 15.267 1.00 0.00 C ATOM 59 O ASN A 4 8.278 -17.470 14.839 1.00 0.00 O ATOM 60 CB ASN A 4 8.804 -20.220 13.688 1.00 0.00 C ATOM 61 CG ASN A 4 7.551 -19.762 12.963 1.00 0.00 C ATOM 62 OD1 ASN A 4 6.518 -20.425 13.010 1.00 0.00 O ATOM 63 ND2 ASN A 4 7.641 -18.646 12.261 1.00 0.00 N ATOM 0 H ASN A 4 7.079 -19.302 16.117 1.00 0.00 H new ATOM 0 HA ASN A 4 9.704 -20.304 15.613 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.678 -19.835 13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.860 -21.308 13.646 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.835 -18.309 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.516 -18.122 12.246 1.00 0.00 H new ATOM 70 N THR A 5 10.217 -17.898 15.884 1.00 0.00 N ATOM 71 CA THR A 5 10.509 -16.496 16.130 1.00 0.00 C ATOM 72 C THR A 5 10.911 -15.777 14.849 1.00 0.00 C ATOM 73 O THR A 5 12.034 -15.914 14.365 1.00 0.00 O ATOM 74 CB THR A 5 11.616 -16.328 17.191 1.00 0.00 C ATOM 75 OG1 THR A 5 11.246 -17.029 18.386 1.00 0.00 O ATOM 76 CG2 THR A 5 11.848 -14.857 17.513 1.00 0.00 C ATOM 0 H THR A 5 10.929 -18.545 16.223 1.00 0.00 H new ATOM 0 HA THR A 5 9.592 -16.045 16.509 1.00 0.00 H new ATOM 0 HB THR A 5 12.541 -16.741 16.790 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.951 -16.923 19.059 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.633 -14.768 18.264 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.150 -14.330 16.608 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.927 -14.419 17.898 1.00 0.00 H new ATOM 84 N ARG A 6 9.966 -15.040 14.287 1.00 0.00 N ATOM 85 CA ARG A 6 10.241 -14.191 13.143 1.00 0.00 C ATOM 86 C ARG A 6 10.736 -12.843 13.635 1.00 0.00 C ATOM 87 O ARG A 6 10.284 -12.365 14.674 1.00 0.00 O ATOM 88 CB ARG A 6 8.982 -13.998 12.294 1.00 0.00 C ATOM 89 CG ARG A 6 8.417 -15.290 11.737 1.00 0.00 C ATOM 90 CD ARG A 6 7.178 -15.044 10.896 1.00 0.00 C ATOM 91 NE ARG A 6 7.455 -14.205 9.728 1.00 0.00 N ATOM 92 CZ ARG A 6 7.507 -14.667 8.478 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.365 -15.968 8.241 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.710 -13.834 7.465 1.00 0.00 N ATOM 0 H ARG A 6 8.998 -15.014 14.608 1.00 0.00 H new ATOM 0 HA ARG A 6 11.002 -14.667 12.524 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.218 -13.509 12.899 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.212 -13.326 11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.175 -15.788 11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.172 -15.964 12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.771 -15.999 10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.414 -14.567 11.510 1.00 0.00 H new ATOM 0 HE ARG A 6 7.618 -13.209 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.216 -16.614 9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.405 -16.319 7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.827 -12.836 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.749 -14.192 6.511 1.00 0.00 H new ATOM 108 N PHE A 7 11.668 -12.241 12.912 1.00 0.00 N ATOM 109 CA PHE A 7 12.165 -10.923 13.277 1.00 0.00 C ATOM 110 C PHE A 7 11.034 -9.907 13.226 1.00 0.00 C ATOM 111 O PHE A 7 10.498 -9.619 12.154 1.00 0.00 O ATOM 112 CB PHE A 7 13.301 -10.485 12.350 1.00 0.00 C ATOM 113 CG PHE A 7 14.506 -11.381 12.410 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.382 -11.315 13.484 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.764 -12.290 11.396 1.00 0.00 C ATOM 116 CE1 PHE A 7 16.491 -12.139 13.545 1.00 0.00 C ATOM 117 CE2 PHE A 7 15.871 -13.116 11.453 1.00 0.00 C ATOM 118 CZ PHE A 7 16.736 -13.041 12.527 1.00 0.00 C ATOM 0 H PHE A 7 12.093 -12.640 12.075 1.00 0.00 H new ATOM 0 HA PHE A 7 12.556 -10.978 14.293 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.931 -10.455 11.325 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.600 -9.470 12.610 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.196 -10.612 14.282 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.093 -12.354 10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.165 -12.078 14.387 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.060 -13.821 10.657 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.602 -13.685 12.571 1.00 0.00 H new ATOM 128 N SER A 8 10.652 -9.403 14.393 1.00 0.00 N ATOM 129 CA SER A 8 9.598 -8.409 14.495 1.00 0.00 C ATOM 130 C SER A 8 9.919 -7.202 13.619 1.00 0.00 C ATOM 131 O SER A 8 10.996 -6.615 13.736 1.00 0.00 O ATOM 132 CB SER A 8 9.440 -7.985 15.953 1.00 0.00 C ATOM 133 OG SER A 8 9.278 -9.114 16.795 1.00 0.00 O ATOM 0 H SER A 8 11.062 -9.671 15.288 1.00 0.00 H new ATOM 0 HA SER A 8 8.661 -8.842 14.145 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.315 -7.415 16.267 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.578 -7.326 16.052 1.00 0.00 H new ATOM 0 HG SER A 8 9.180 -8.818 17.724 1.00 0.00 H new ATOM 139 N PRO A 9 8.980 -6.829 12.731 1.00 0.00 N ATOM 140 CA PRO A 9 9.176 -5.746 11.759 1.00 0.00 C ATOM 141 C PRO A 9 9.718 -4.471 12.396 1.00 0.00 C ATOM 142 O PRO A 9 10.785 -3.979 12.016 1.00 0.00 O ATOM 143 CB PRO A 9 7.769 -5.507 11.207 1.00 0.00 C ATOM 144 CG PRO A 9 7.068 -6.810 11.368 1.00 0.00 C ATOM 145 CD PRO A 9 7.642 -7.444 12.604 1.00 0.00 C ATOM 0 HA PRO A 9 9.912 -6.015 11.001 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.259 -4.714 11.754 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.801 -5.202 10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.993 -6.664 11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.223 -7.446 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.025 -7.242 13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.708 -8.527 12.503 1.00 0.00 H new ATOM 153 N GLU A 10 8.991 -3.953 13.377 1.00 0.00 N ATOM 154 CA GLU A 10 9.374 -2.712 14.032 1.00 0.00 C ATOM 155 C GLU A 10 10.729 -2.841 14.708 1.00 0.00 C ATOM 156 O GLU A 10 11.586 -1.993 14.533 1.00 0.00 O ATOM 157 CB GLU A 10 8.330 -2.284 15.059 1.00 0.00 C ATOM 158 CG GLU A 10 6.944 -2.104 14.479 1.00 0.00 C ATOM 159 CD GLU A 10 6.024 -1.355 15.416 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.659 -1.911 16.471 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.674 -0.197 15.105 1.00 0.00 O ATOM 0 H GLU A 10 8.134 -4.373 13.736 1.00 0.00 H new ATOM 0 HA GLU A 10 9.439 -1.949 13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.288 -3.029 15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.647 -1.347 15.517 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.015 -1.565 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.516 -3.081 14.257 1.00 0.00 H new ATOM 168 N VAL A 11 10.919 -3.916 15.462 1.00 0.00 N ATOM 169 CA VAL A 11 12.168 -4.133 16.190 1.00 0.00 C ATOM 170 C VAL A 11 13.367 -4.139 15.241 1.00 0.00 C ATOM 171 O VAL A 11 14.371 -3.469 15.487 1.00 0.00 O ATOM 172 CB VAL A 11 12.132 -5.458 16.980 1.00 0.00 C ATOM 173 CG1 VAL A 11 13.460 -5.709 17.681 1.00 0.00 C ATOM 174 CG2 VAL A 11 10.993 -5.440 17.987 1.00 0.00 C ATOM 0 H VAL A 11 10.225 -4.653 15.587 1.00 0.00 H new ATOM 0 HA VAL A 11 12.276 -3.306 16.892 1.00 0.00 H new ATOM 0 HB VAL A 11 11.963 -6.272 16.275 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.409 -6.649 18.231 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.258 -5.765 16.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.665 -4.893 18.374 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.979 -6.381 18.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.136 -4.614 18.684 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.046 -5.312 17.463 1.00 0.00 H new ATOM 184 N ARG A 12 13.241 -4.881 14.152 1.00 0.00 N ATOM 185 CA ARG A 12 14.301 -4.993 13.157 1.00 0.00 C ATOM 186 C ARG A 12 14.614 -3.639 12.522 1.00 0.00 C ATOM 187 O ARG A 12 15.771 -3.220 12.446 1.00 0.00 O ATOM 188 CB ARG A 12 13.877 -5.983 12.069 1.00 0.00 C ATOM 189 CG ARG A 12 14.865 -6.105 10.923 1.00 0.00 C ATOM 190 CD ARG A 12 14.309 -6.968 9.800 1.00 0.00 C ATOM 191 NE ARG A 12 13.110 -6.380 9.188 1.00 0.00 N ATOM 192 CZ ARG A 12 12.482 -6.895 8.124 1.00 0.00 C ATOM 193 NH1 ARG A 12 12.931 -8.012 7.565 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.407 -6.293 7.623 1.00 0.00 N ATOM 0 H ARG A 12 12.405 -5.422 13.931 1.00 0.00 H new ATOM 0 HA ARG A 12 15.201 -5.349 13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.738 -6.965 12.521 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.910 -5.676 11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.102 -5.113 10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.797 -6.537 11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.075 -7.104 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.068 -7.957 10.190 1.00 0.00 H new ATOM 0 HE ARG A 12 12.733 -5.526 9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.754 -8.478 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.453 -8.405 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.058 -5.435 8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.932 -6.689 6.812 1.00 0.00 H new ATOM 208 N GLN A 13 13.572 -2.958 12.076 1.00 0.00 N ATOM 209 CA GLN A 13 13.731 -1.737 11.301 1.00 0.00 C ATOM 210 C GLN A 13 14.033 -0.533 12.193 1.00 0.00 C ATOM 211 O GLN A 13 14.697 0.412 11.764 1.00 0.00 O ATOM 212 CB GLN A 13 12.475 -1.521 10.455 1.00 0.00 C ATOM 213 CG GLN A 13 12.277 -2.636 9.437 1.00 0.00 C ATOM 214 CD GLN A 13 10.852 -2.765 8.940 1.00 0.00 C ATOM 215 OE1 GLN A 13 10.409 -3.863 8.596 1.00 0.00 O ATOM 216 NE2 GLN A 13 10.133 -1.658 8.890 1.00 0.00 N ATOM 0 H GLN A 13 12.603 -3.231 12.238 1.00 0.00 H new ATOM 0 HA GLN A 13 14.591 -1.842 10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.603 -1.466 11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.546 -0.565 9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.934 -2.459 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.583 -3.582 9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.541 -0.771 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.170 -1.690 8.556 1.00 0.00 H new ATOM 225 N ARG A 14 13.572 -0.577 13.437 1.00 0.00 N ATOM 226 CA ARG A 14 13.880 0.473 14.403 1.00 0.00 C ATOM 227 C ARG A 14 15.322 0.335 14.872 1.00 0.00 C ATOM 228 O ARG A 14 15.976 1.323 15.203 1.00 0.00 O ATOM 229 CB ARG A 14 12.937 0.408 15.605 1.00 0.00 C ATOM 230 CG ARG A 14 13.083 1.579 16.570 1.00 0.00 C ATOM 231 CD ARG A 14 12.217 1.390 17.807 1.00 0.00 C ATOM 232 NE ARG A 14 10.815 1.153 17.465 1.00 0.00 N ATOM 233 CZ ARG A 14 9.982 0.419 18.200 1.00 0.00 C ATOM 234 NH1 ARG A 14 10.384 -0.083 19.363 1.00 0.00 N ATOM 235 NH2 ARG A 14 8.737 0.211 17.785 1.00 0.00 N ATOM 0 H ARG A 14 12.984 -1.327 13.801 1.00 0.00 H new ATOM 0 HA ARG A 14 13.745 1.438 13.914 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.909 0.372 15.246 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.118 -0.521 16.146 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.127 1.680 16.867 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.804 2.505 16.066 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.595 0.549 18.389 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.291 2.275 18.440 1.00 0.00 H new ATOM 0 HE ARG A 14 10.453 1.576 16.611 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.332 0.094 19.694 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.744 -0.645 19.924 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.419 0.614 16.903 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.099 -0.351 18.348 1.00 0.00 H new ATOM 249 N ALA A 15 15.811 -0.902 14.900 1.00 0.00 N ATOM 250 CA ALA A 15 17.207 -1.155 15.213 1.00 0.00 C ATOM 251 C ALA A 15 18.095 -0.454 14.199 1.00 0.00 C ATOM 252 O ALA A 15 19.003 0.288 14.564 1.00 0.00 O ATOM 253 CB ALA A 15 17.499 -2.650 15.237 1.00 0.00 C ATOM 0 H ALA A 15 15.260 -1.739 14.710 1.00 0.00 H new ATOM 0 HA ALA A 15 17.419 -0.759 16.206 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.551 -2.812 15.474 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.879 -3.130 15.994 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.277 -3.080 14.260 1.00 0.00 H new ATOM 259 N VAL A 16 17.800 -0.676 12.922 1.00 0.00 N ATOM 260 CA VAL A 16 18.514 -0.009 11.834 1.00 0.00 C ATOM 261 C VAL A 16 18.337 1.510 11.924 1.00 0.00 C ATOM 262 O VAL A 16 19.269 2.273 11.673 1.00 0.00 O ATOM 263 CB VAL A 16 18.025 -0.502 10.451 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.809 0.160 9.326 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.132 -2.015 10.350 1.00 0.00 C ATOM 0 H VAL A 16 17.068 -1.315 12.612 1.00 0.00 H new ATOM 0 HA VAL A 16 19.570 -0.258 11.938 1.00 0.00 H new ATOM 0 HB VAL A 16 16.977 -0.221 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.445 -0.204 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.677 1.241 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.867 -0.082 9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.783 -2.340 9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.171 -2.316 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.519 -2.476 11.124 1.00 0.00 H new ATOM 275 N ARG A 17 17.140 1.933 12.299 1.00 0.00 N ATOM 276 CA ARG A 17 16.839 3.347 12.475 1.00 0.00 C ATOM 277 C ARG A 17 17.741 3.953 13.551 1.00 0.00 C ATOM 278 O ARG A 17 18.274 5.051 13.389 1.00 0.00 O ATOM 279 CB ARG A 17 15.372 3.514 12.874 1.00 0.00 C ATOM 280 CG ARG A 17 14.867 4.948 12.829 1.00 0.00 C ATOM 281 CD ARG A 17 14.743 5.460 11.401 1.00 0.00 C ATOM 282 NE ARG A 17 13.970 4.541 10.557 1.00 0.00 N ATOM 283 CZ ARG A 17 12.648 4.612 10.367 1.00 0.00 C ATOM 284 NH1 ARG A 17 11.929 5.567 10.958 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.051 3.716 9.583 1.00 0.00 N ATOM 0 H ARG A 17 16.354 1.311 12.489 1.00 0.00 H new ATOM 0 HA ARG A 17 17.020 3.866 11.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.757 2.904 12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.236 3.126 13.883 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.896 5.007 13.322 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.548 5.591 13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.263 6.439 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.737 5.595 10.976 1.00 0.00 H new ATOM 0 HE ARG A 17 14.477 3.795 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.387 6.251 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.921 5.614 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.601 2.984 9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.043 3.762 9.432 1.00 0.00 H new ATOM 299 N MET A 18 17.917 3.219 14.644 1.00 0.00 N ATOM 300 CA MET A 18 18.740 3.681 15.757 1.00 0.00 C ATOM 301 C MET A 18 20.226 3.596 15.394 1.00 0.00 C ATOM 302 O MET A 18 21.053 4.332 15.940 1.00 0.00 O ATOM 303 CB MET A 18 18.425 2.869 17.021 1.00 0.00 C ATOM 304 CG MET A 18 19.029 3.437 18.299 1.00 0.00 C ATOM 305 SD MET A 18 20.653 2.755 18.679 1.00 0.00 S ATOM 306 CE MET A 18 20.222 1.043 18.978 1.00 0.00 C ATOM 0 H MET A 18 17.500 2.299 14.784 1.00 0.00 H new ATOM 0 HA MET A 18 18.507 4.726 15.961 1.00 0.00 H new ATOM 0 HB2 MET A 18 17.343 2.809 17.140 1.00 0.00 H new ATOM 0 HB3 MET A 18 18.787 1.850 16.884 1.00 0.00 H new ATOM 0 HG2 MET A 18 19.109 4.520 18.205 1.00 0.00 H new ATOM 0 HG3 MET A 18 18.354 3.238 19.132 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.020 0.560 19.541 1.00 0.00 H new ATOM 0 HE2 MET A 18 19.295 0.996 19.549 1.00 0.00 H new ATOM 0 HE3 MET A 18 20.088 0.530 18.026 1.00 0.00 H new ATOM 316 N VAL A 19 20.561 2.706 14.460 1.00 0.00 N ATOM 317 CA VAL A 19 21.910 2.658 13.902 1.00 0.00 C ATOM 318 C VAL A 19 22.237 3.989 13.235 1.00 0.00 C ATOM 319 O VAL A 19 23.343 4.507 13.363 1.00 0.00 O ATOM 320 CB VAL A 19 22.077 1.513 12.871 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.448 1.572 12.208 1.00 0.00 C ATOM 322 CG2 VAL A 19 21.872 0.158 13.531 1.00 0.00 C ATOM 0 H VAL A 19 19.919 2.012 14.076 1.00 0.00 H new ATOM 0 HA VAL A 19 22.597 2.467 14.726 1.00 0.00 H new ATOM 0 HB VAL A 19 21.316 1.644 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.540 0.758 11.489 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.562 2.526 11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.224 1.475 12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 19 21.994 -0.631 12.788 1.00 0.00 H new ATOM 0 HG22 VAL A 19 22.607 0.025 14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.868 0.107 13.953 1.00 0.00 H new ATOM 332 N LEU A 20 21.250 4.546 12.544 1.00 0.00 N ATOM 333 CA LEU A 20 21.399 5.843 11.891 1.00 0.00 C ATOM 334 C LEU A 20 21.511 6.954 12.932 1.00 0.00 C ATOM 335 O LEU A 20 22.312 7.880 12.790 1.00 0.00 O ATOM 336 CB LEU A 20 20.210 6.107 10.968 1.00 0.00 C ATOM 337 CG LEU A 20 19.992 5.059 9.873 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.740 5.376 9.075 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.205 4.982 8.958 1.00 0.00 C ATOM 0 H LEU A 20 20.333 4.118 12.420 1.00 0.00 H new ATOM 0 HA LEU A 20 22.312 5.829 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.306 6.170 11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.345 7.080 10.496 1.00 0.00 H new ATOM 0 HG LEU A 20 19.859 4.087 10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.601 4.621 8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.876 5.378 9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.843 6.357 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.032 4.232 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.370 5.953 8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.084 4.706 9.541 1.00 0.00 H new ATOM 351 N GLU A 21 20.709 6.844 13.984 1.00 0.00 N ATOM 352 CA GLU A 21 20.742 7.800 15.088 1.00 0.00 C ATOM 353 C GLU A 21 22.126 7.797 15.739 1.00 0.00 C ATOM 354 O GLU A 21 22.650 8.843 16.123 1.00 0.00 O ATOM 355 CB GLU A 21 19.645 7.446 16.101 1.00 0.00 C ATOM 356 CG GLU A 21 19.367 8.516 17.149 1.00 0.00 C ATOM 357 CD GLU A 21 20.183 8.343 18.414 1.00 0.00 C ATOM 358 OE1 GLU A 21 20.044 7.294 19.076 1.00 0.00 O ATOM 359 OE2 GLU A 21 20.941 9.272 18.771 1.00 0.00 O ATOM 0 H GLU A 21 20.023 6.098 14.097 1.00 0.00 H new ATOM 0 HA GLU A 21 20.552 8.806 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.722 7.242 15.558 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.926 6.524 16.610 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.576 9.497 16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.307 8.499 17.403 1.00 0.00 H new ATOM 366 N SER A 22 22.727 6.618 15.822 1.00 0.00 N ATOM 367 CA SER A 22 24.066 6.475 16.372 1.00 0.00 C ATOM 368 C SER A 22 25.129 6.798 15.317 1.00 0.00 C ATOM 369 O SER A 22 26.289 7.051 15.646 1.00 0.00 O ATOM 370 CB SER A 22 24.254 5.054 16.901 1.00 0.00 C ATOM 371 OG SER A 22 23.203 4.697 17.785 1.00 0.00 O ATOM 0 H SER A 22 22.305 5.742 15.513 1.00 0.00 H new ATOM 0 HA SER A 22 24.184 7.182 17.193 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.286 4.353 16.067 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.210 4.978 17.418 1.00 0.00 H new ATOM 0 HG SER A 22 22.387 4.525 17.270 1.00 0.00 H new ATOM 377 N GLN A 23 24.726 6.786 14.046 1.00 0.00 N ATOM 378 CA GLN A 23 25.618 7.148 12.951 1.00 0.00 C ATOM 379 C GLN A 23 25.965 8.627 13.043 1.00 0.00 C ATOM 380 O GLN A 23 27.068 9.043 12.689 1.00 0.00 O ATOM 381 CB GLN A 23 24.966 6.850 11.598 1.00 0.00 C ATOM 382 CG GLN A 23 25.883 7.093 10.409 1.00 0.00 C ATOM 383 CD GLN A 23 25.124 7.250 9.102 1.00 0.00 C ATOM 384 OE1 GLN A 23 24.755 8.362 8.723 1.00 0.00 O ATOM 385 NE2 GLN A 23 24.886 6.149 8.406 1.00 0.00 N ATOM 0 H GLN A 23 23.784 6.528 13.752 1.00 0.00 H new ATOM 0 HA GLN A 23 26.528 6.554 13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.637 5.811 11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.075 7.468 11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.475 7.990 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 23 26.583 6.262 10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 23 25.208 5.246 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.380 6.204 7.522 1.00 0.00 H new ATOM 394 N GLY A 24 25.011 9.413 13.533 1.00 0.00 N ATOM 395 CA GLY A 24 25.250 10.827 13.772 1.00 0.00 C ATOM 396 C GLY A 24 26.054 11.071 15.035 1.00 0.00 C ATOM 397 O GLY A 24 25.684 11.897 15.871 1.00 0.00 O ATOM 0 H GLY A 24 24.071 9.095 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.779 11.253 12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.295 11.347 13.846 1.00 0.00 H new ATOM 401 N GLU A 25 27.151 10.345 15.168 1.00 0.00 N ATOM 402 CA GLU A 25 28.041 10.458 16.315 1.00 0.00 C ATOM 403 C GLU A 25 29.357 9.761 16.001 1.00 0.00 C ATOM 404 O GLU A 25 30.425 10.374 16.042 1.00 0.00 O ATOM 405 CB GLU A 25 27.392 9.847 17.564 1.00 0.00 C ATOM 406 CG GLU A 25 28.277 9.890 18.802 1.00 0.00 C ATOM 407 CD GLU A 25 28.850 11.267 19.067 1.00 0.00 C ATOM 408 OE1 GLU A 25 28.099 12.158 19.510 1.00 0.00 O ATOM 409 OE2 GLU A 25 30.057 11.471 18.821 1.00 0.00 O ATOM 0 H GLU A 25 27.453 9.656 14.480 1.00 0.00 H new ATOM 0 HA GLU A 25 28.232 11.512 16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.463 10.377 17.775 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.128 8.811 17.354 1.00 0.00 H new ATOM 0 HG2 GLU A 25 27.698 9.570 19.668 1.00 0.00 H new ATOM 0 HG3 GLU A 25 29.094 9.178 18.684 1.00 0.00 H new ATOM 416 N TYR A 26 29.272 8.480 15.666 1.00 0.00 N ATOM 417 CA TYR A 26 30.453 7.717 15.293 1.00 0.00 C ATOM 418 C TYR A 26 30.930 8.129 13.909 1.00 0.00 C ATOM 419 O TYR A 26 30.133 8.534 13.065 1.00 0.00 O ATOM 420 CB TYR A 26 30.160 6.214 15.322 1.00 0.00 C ATOM 421 CG TYR A 26 29.918 5.668 16.708 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.646 5.668 17.263 1.00 0.00 C ATOM 423 CD2 TYR A 26 30.961 5.154 17.463 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.421 5.176 18.532 1.00 0.00 C ATOM 425 CE2 TYR A 26 30.743 4.657 18.732 1.00 0.00 C ATOM 426 CZ TYR A 26 29.473 4.670 19.262 1.00 0.00 C ATOM 427 OH TYR A 26 29.253 4.181 20.529 1.00 0.00 O ATOM 0 H TYR A 26 28.401 7.950 15.645 1.00 0.00 H new ATOM 0 HA TYR A 26 31.240 7.929 16.017 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.285 6.012 14.704 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.998 5.681 14.873 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.818 6.060 16.691 1.00 0.00 H new ATOM 0 HD2 TYR A 26 31.960 5.142 17.052 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.425 5.188 18.950 1.00 0.00 H new ATOM 0 HE2 TYR A 26 31.566 4.259 19.307 1.00 0.00 H new ATOM 0 HH TYR A 26 30.098 3.860 20.907 1.00 0.00 H new ATOM 437 N ASP A 27 32.232 8.037 13.691 1.00 0.00 N ATOM 438 CA ASP A 27 32.826 8.381 12.402 1.00 0.00 C ATOM 439 C ASP A 27 32.703 7.213 11.431 1.00 0.00 C ATOM 440 O ASP A 27 32.840 7.377 10.215 1.00 0.00 O ATOM 441 CB ASP A 27 34.301 8.748 12.582 1.00 0.00 C ATOM 442 CG ASP A 27 35.123 7.581 13.094 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.004 7.248 14.293 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.877 6.981 12.303 1.00 0.00 O ATOM 0 H ASP A 27 32.904 7.725 14.392 1.00 0.00 H new ATOM 0 HA ASP A 27 32.291 9.238 11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.708 9.087 11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.384 9.582 13.279 1.00 0.00 H new ATOM 449 N SER A 28 32.456 6.034 11.975 1.00 0.00 N ATOM 450 CA SER A 28 32.320 4.833 11.174 1.00 0.00 C ATOM 451 C SER A 28 31.080 4.053 11.594 1.00 0.00 C ATOM 452 O SER A 28 30.887 3.753 12.775 1.00 0.00 O ATOM 453 CB SER A 28 33.576 3.972 11.312 1.00 0.00 C ATOM 454 OG SER A 28 33.933 3.813 12.675 1.00 0.00 O ATOM 0 H SER A 28 32.345 5.884 12.978 1.00 0.00 H new ATOM 0 HA SER A 28 32.204 5.114 10.127 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.403 2.995 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.400 4.434 10.768 1.00 0.00 H new ATOM 0 HG SER A 28 33.121 3.736 13.219 1.00 0.00 H new ATOM 460 N GLN A 29 30.242 3.727 10.618 1.00 0.00 N ATOM 461 CA GLN A 29 28.997 3.015 10.874 1.00 0.00 C ATOM 462 C GLN A 29 29.279 1.588 11.330 1.00 0.00 C ATOM 463 O GLN A 29 28.490 0.990 12.064 1.00 0.00 O ATOM 464 CB GLN A 29 28.126 3.018 9.613 1.00 0.00 C ATOM 465 CG GLN A 29 26.829 2.236 9.753 1.00 0.00 C ATOM 466 CD GLN A 29 25.891 2.439 8.578 1.00 0.00 C ATOM 467 OE1 GLN A 29 25.043 3.330 8.594 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.056 1.635 7.540 1.00 0.00 N ATOM 0 H GLN A 29 30.404 3.946 9.635 1.00 0.00 H new ATOM 0 HA GLN A 29 28.458 3.524 11.673 1.00 0.00 H new ATOM 0 HB2 GLN A 29 27.890 4.049 9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 29 28.701 2.602 8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.058 1.175 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.325 2.538 10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.771 0.908 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.468 1.742 6.713 1.00 0.00 H new ATOM 477 N TRP A 30 30.423 1.060 10.912 1.00 0.00 N ATOM 478 CA TRP A 30 30.830 -0.290 11.284 1.00 0.00 C ATOM 479 C TRP A 30 31.031 -0.397 12.794 1.00 0.00 C ATOM 480 O TRP A 30 30.722 -1.424 13.400 1.00 0.00 O ATOM 481 CB TRP A 30 32.114 -0.677 10.549 1.00 0.00 C ATOM 482 CG TRP A 30 31.994 -0.575 9.060 1.00 0.00 C ATOM 483 CD1 TRP A 30 31.277 -1.397 8.240 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.617 0.396 8.211 1.00 0.00 C ATOM 485 NE1 TRP A 30 31.405 -0.989 6.934 1.00 0.00 N ATOM 486 CE2 TRP A 30 32.225 0.107 6.890 1.00 0.00 C ATOM 487 CE3 TRP A 30 33.465 1.483 8.439 1.00 0.00 C ATOM 488 CZ2 TRP A 30 32.653 0.865 5.804 1.00 0.00 C ATOM 489 CZ3 TRP A 30 33.888 2.236 7.360 1.00 0.00 C ATOM 490 CH2 TRP A 30 33.481 1.925 6.056 1.00 0.00 C ATOM 0 H TRP A 30 31.088 1.549 10.313 1.00 0.00 H new ATOM 0 HA TRP A 30 30.038 -0.980 10.994 1.00 0.00 H new ATOM 0 HB2 TRP A 30 32.926 -0.034 10.887 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.384 -1.699 10.816 1.00 0.00 H new ATOM 0 HD1 TRP A 30 30.694 -2.244 8.569 1.00 0.00 H new ATOM 0 HE1 TRP A 30 30.961 -1.431 6.129 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.784 1.730 9.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 32.343 0.625 4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 34.543 3.078 7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 30 33.827 2.534 5.234 1.00 0.00 H new ATOM 501 N ALA A 31 31.533 0.678 13.400 1.00 0.00 N ATOM 502 CA ALA A 31 31.715 0.725 14.845 1.00 0.00 C ATOM 503 C ALA A 31 30.359 0.741 15.540 1.00 0.00 C ATOM 504 O ALA A 31 30.161 0.090 16.568 1.00 0.00 O ATOM 505 CB ALA A 31 32.527 1.949 15.241 1.00 0.00 C ATOM 0 H ALA A 31 31.820 1.526 12.911 1.00 0.00 H new ATOM 0 HA ALA A 31 32.262 -0.165 15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.653 1.968 16.324 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.506 1.907 14.763 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.005 2.851 14.921 1.00 0.00 H new ATOM 511 N THR A 32 29.429 1.488 14.960 1.00 0.00 N ATOM 512 CA THR A 32 28.057 1.537 15.443 1.00 0.00 C ATOM 513 C THR A 32 27.437 0.139 15.447 1.00 0.00 C ATOM 514 O THR A 32 26.825 -0.280 16.433 1.00 0.00 O ATOM 515 CB THR A 32 27.214 2.476 14.560 1.00 0.00 C ATOM 516 OG1 THR A 32 27.841 3.761 14.489 1.00 0.00 O ATOM 517 CG2 THR A 32 25.805 2.628 15.107 1.00 0.00 C ATOM 0 H THR A 32 29.604 2.075 14.144 1.00 0.00 H new ATOM 0 HA THR A 32 28.068 1.919 16.464 1.00 0.00 H new ATOM 0 HB THR A 32 27.149 2.039 13.564 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.971 4.112 15.395 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.235 3.297 14.462 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.320 1.653 15.138 1.00 0.00 H new ATOM 0 HG23 THR A 32 25.848 3.044 16.113 1.00 0.00 H new ATOM 525 N ILE A 33 27.631 -0.584 14.348 1.00 0.00 N ATOM 526 CA ILE A 33 27.138 -1.951 14.219 1.00 0.00 C ATOM 527 C ILE A 33 27.680 -2.829 15.348 1.00 0.00 C ATOM 528 O ILE A 33 26.928 -3.534 16.023 1.00 0.00 O ATOM 529 CB ILE A 33 27.551 -2.563 12.859 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.964 -1.748 11.699 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.116 -4.020 12.765 1.00 0.00 C ATOM 532 CD1 ILE A 33 25.453 -1.665 11.706 1.00 0.00 C ATOM 0 H ILE A 33 28.131 -0.242 13.527 1.00 0.00 H new ATOM 0 HA ILE A 33 26.050 -1.914 14.278 1.00 0.00 H new ATOM 0 HB ILE A 33 28.638 -2.528 12.788 1.00 0.00 H new ATOM 0 HG12 ILE A 33 27.373 -0.738 11.735 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.289 -2.190 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.417 -4.428 11.800 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.587 -4.593 13.564 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.032 -4.083 12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.117 -1.073 10.855 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.033 -2.669 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.119 -1.194 12.630 1.00 0.00 H new ATOM 544 N CYS A 34 28.984 -2.744 15.571 1.00 0.00 N ATOM 545 CA CYS A 34 29.657 -3.577 16.563 1.00 0.00 C ATOM 546 C CYS A 34 29.314 -3.153 17.994 1.00 0.00 C ATOM 547 O CYS A 34 29.690 -3.823 18.951 1.00 0.00 O ATOM 548 CB CYS A 34 31.170 -3.512 16.351 1.00 0.00 C ATOM 549 SG CYS A 34 31.694 -3.959 14.680 1.00 0.00 S ATOM 0 H CYS A 34 29.603 -2.102 15.075 1.00 0.00 H new ATOM 0 HA CYS A 34 29.307 -4.601 16.429 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.515 -2.502 16.572 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.656 -4.178 17.064 1.00 0.00 H new ATOM 0 HG CYS A 34 31.425 -2.983 13.865 1.00 0.00 H new ATOM 555 N SER A 35 28.610 -2.043 18.136 1.00 0.00 N ATOM 556 CA SER A 35 28.220 -1.559 19.452 1.00 0.00 C ATOM 557 C SER A 35 26.785 -1.970 19.782 1.00 0.00 C ATOM 558 O SER A 35 26.453 -2.247 20.937 1.00 0.00 O ATOM 559 CB SER A 35 28.365 -0.038 19.519 1.00 0.00 C ATOM 560 OG SER A 35 29.691 0.363 19.212 1.00 0.00 O ATOM 0 H SER A 35 28.297 -1.460 17.360 1.00 0.00 H new ATOM 0 HA SER A 35 28.881 -2.010 20.192 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.670 0.428 18.820 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.097 0.312 20.516 1.00 0.00 H new ATOM 0 HG SER A 35 29.820 0.349 18.241 1.00 0.00 H new ATOM 566 N ILE A 36 25.946 -2.031 18.758 1.00 0.00 N ATOM 567 CA ILE A 36 24.532 -2.331 18.941 1.00 0.00 C ATOM 568 C ILE A 36 24.272 -3.836 18.919 1.00 0.00 C ATOM 569 O ILE A 36 23.373 -4.332 19.604 1.00 0.00 O ATOM 570 CB ILE A 36 23.685 -1.634 17.853 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.920 -0.122 17.900 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.207 -1.951 18.028 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.192 0.644 16.817 1.00 0.00 C ATOM 0 H ILE A 36 26.221 -1.876 17.788 1.00 0.00 H new ATOM 0 HA ILE A 36 24.240 -1.950 19.920 1.00 0.00 H new ATOM 0 HB ILE A 36 23.994 -2.011 16.878 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.605 0.255 18.873 1.00 0.00 H new ATOM 0 HG13 ILE A 36 24.989 0.073 17.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.632 -1.448 17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.055 -3.028 17.954 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.874 -1.604 19.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.408 1.708 16.916 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.524 0.296 15.839 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.119 0.481 16.915 1.00 0.00 H new ATOM 585 N ALA A 37 25.077 -4.560 18.148 1.00 0.00 N ATOM 586 CA ALA A 37 24.919 -6.008 18.012 1.00 0.00 C ATOM 587 C ALA A 37 24.969 -6.733 19.369 1.00 0.00 C ATOM 588 O ALA A 37 24.046 -7.486 19.692 1.00 0.00 O ATOM 589 CB ALA A 37 25.962 -6.574 17.057 1.00 0.00 C ATOM 0 H ALA A 37 25.847 -4.169 17.606 1.00 0.00 H new ATOM 0 HA ALA A 37 23.928 -6.185 17.595 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.828 -7.652 16.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.846 -6.113 16.076 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.960 -6.363 17.441 1.00 0.00 H new ATOM 595 N PRO A 38 26.026 -6.529 20.191 1.00 0.00 N ATOM 596 CA PRO A 38 26.118 -7.174 21.507 1.00 0.00 C ATOM 597 C PRO A 38 25.077 -6.641 22.488 1.00 0.00 C ATOM 598 O PRO A 38 24.772 -7.282 23.493 1.00 0.00 O ATOM 599 CB PRO A 38 27.534 -6.837 21.983 1.00 0.00 C ATOM 600 CG PRO A 38 27.895 -5.596 21.244 1.00 0.00 C ATOM 601 CD PRO A 38 27.212 -5.696 19.912 1.00 0.00 C ATOM 0 HA PRO A 38 25.927 -8.245 21.446 1.00 0.00 H new ATOM 0 HB2 PRO A 38 27.562 -6.678 23.061 1.00 0.00 H new ATOM 0 HB3 PRO A 38 28.230 -7.646 21.761 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.566 -4.709 21.786 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.975 -5.514 21.124 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.931 -4.714 19.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.858 -6.156 19.164 1.00 0.00 H new ATOM 609 N LYS A 39 24.525 -5.472 22.185 1.00 0.00 N ATOM 610 CA LYS A 39 23.492 -4.876 23.020 1.00 0.00 C ATOM 611 C LYS A 39 22.198 -5.667 22.865 1.00 0.00 C ATOM 612 O LYS A 39 21.615 -6.120 23.850 1.00 0.00 O ATOM 613 CB LYS A 39 23.283 -3.402 22.630 1.00 0.00 C ATOM 614 CG LYS A 39 22.527 -2.563 23.658 1.00 0.00 C ATOM 615 CD LYS A 39 21.053 -2.927 23.746 1.00 0.00 C ATOM 616 CE LYS A 39 20.326 -2.057 24.754 1.00 0.00 C ATOM 617 NZ LYS A 39 18.929 -2.510 24.977 1.00 0.00 N ATOM 0 H LYS A 39 24.777 -4.918 21.366 1.00 0.00 H new ATOM 0 HA LYS A 39 23.801 -4.909 24.065 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.258 -2.946 22.457 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.742 -3.365 21.685 1.00 0.00 H new ATOM 0 HG2 LYS A 39 22.988 -2.694 24.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.621 -1.508 23.400 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.590 -2.815 22.766 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.952 -3.975 24.028 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.867 -2.070 25.700 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.321 -1.025 24.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.469 -1.888 25.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.405 -2.473 24.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.934 -3.486 25.335 1.00 0.00 H new ATOM 631 N ILE A 40 21.768 -5.840 21.621 1.00 0.00 N ATOM 632 CA ILE A 40 20.552 -6.588 21.327 1.00 0.00 C ATOM 633 C ILE A 40 20.783 -8.080 21.547 1.00 0.00 C ATOM 634 O ILE A 40 19.890 -8.807 21.991 1.00 0.00 O ATOM 635 CB ILE A 40 20.089 -6.355 19.870 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.891 -4.861 19.605 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.803 -7.120 19.582 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.516 -4.541 18.172 1.00 0.00 C ATOM 0 H ILE A 40 22.245 -5.471 20.798 1.00 0.00 H new ATOM 0 HA ILE A 40 19.774 -6.232 22.003 1.00 0.00 H new ATOM 0 HB ILE A 40 20.865 -6.728 19.202 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.112 -4.483 20.268 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.809 -4.331 19.858 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.496 -6.941 18.551 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.973 -8.186 19.730 1.00 0.00 H new ATOM 0 HG23 ILE A 40 18.018 -6.780 20.258 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.392 -3.464 18.060 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.304 -4.887 17.504 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.581 -5.042 17.920 1.00 0.00 H new ATOM 650 N GLY A 41 21.991 -8.523 21.244 1.00 0.00 N ATOM 651 CA GLY A 41 22.321 -9.924 21.376 1.00 0.00 C ATOM 652 C GLY A 41 22.200 -10.643 20.055 1.00 0.00 C ATOM 653 O GLY A 41 21.538 -11.680 19.957 1.00 0.00 O ATOM 0 H GLY A 41 22.753 -7.934 20.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 23.337 -10.026 21.756 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.659 -10.388 22.107 1.00 0.00 H new ATOM 657 N CYS A 42 22.830 -10.079 19.035 1.00 0.00 N ATOM 658 CA CYS A 42 22.771 -10.636 17.696 1.00 0.00 C ATOM 659 C CYS A 42 24.122 -10.506 17.001 1.00 0.00 C ATOM 660 O CYS A 42 25.041 -9.867 17.518 1.00 0.00 O ATOM 661 CB CYS A 42 21.676 -9.936 16.884 1.00 0.00 C ATOM 662 SG CYS A 42 21.820 -8.132 16.856 1.00 0.00 S ATOM 0 H CYS A 42 23.391 -9.231 19.113 1.00 0.00 H new ATOM 0 HA CYS A 42 22.528 -11.696 17.768 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.703 -10.308 15.860 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.704 -10.206 17.296 1.00 0.00 H new ATOM 0 HG CYS A 42 20.854 -7.631 16.145 1.00 0.00 H new ATOM 668 N THR A 43 24.237 -11.123 15.838 1.00 0.00 N ATOM 669 CA THR A 43 25.469 -11.104 15.070 1.00 0.00 C ATOM 670 C THR A 43 25.617 -9.778 14.315 1.00 0.00 C ATOM 671 O THR A 43 24.692 -9.351 13.621 1.00 0.00 O ATOM 672 CB THR A 43 25.480 -12.281 14.074 1.00 0.00 C ATOM 673 OG1 THR A 43 25.054 -13.476 14.744 1.00 0.00 O ATOM 674 CG2 THR A 43 26.869 -12.494 13.490 1.00 0.00 C ATOM 0 H THR A 43 23.481 -11.650 15.401 1.00 0.00 H new ATOM 0 HA THR A 43 26.309 -11.204 15.757 1.00 0.00 H new ATOM 0 HB THR A 43 24.798 -12.046 13.257 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.059 -14.225 14.112 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.846 -13.330 12.791 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.186 -11.592 12.966 1.00 0.00 H new ATOM 0 HG23 THR A 43 27.572 -12.712 14.294 1.00 0.00 H new ATOM 682 N PRO A 44 26.781 -9.108 14.454 1.00 0.00 N ATOM 683 CA PRO A 44 27.053 -7.826 13.792 1.00 0.00 C ATOM 684 C PRO A 44 26.878 -7.908 12.279 1.00 0.00 C ATOM 685 O PRO A 44 26.377 -6.972 11.654 1.00 0.00 O ATOM 686 CB PRO A 44 28.515 -7.520 14.149 1.00 0.00 C ATOM 687 CG PRO A 44 29.073 -8.799 14.675 1.00 0.00 C ATOM 688 CD PRO A 44 27.915 -9.540 15.279 1.00 0.00 C ATOM 0 HA PRO A 44 26.359 -7.052 14.120 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.070 -7.180 13.274 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.579 -6.728 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.534 -9.381 13.877 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.846 -8.610 15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.059 -10.620 15.234 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.773 -9.281 16.328 1.00 0.00 H new ATOM 696 N GLU A 45 27.275 -9.040 11.701 1.00 0.00 N ATOM 697 CA GLU A 45 27.110 -9.269 10.269 1.00 0.00 C ATOM 698 C GLU A 45 25.647 -9.134 9.870 1.00 0.00 C ATOM 699 O GLU A 45 25.323 -8.464 8.893 1.00 0.00 O ATOM 700 CB GLU A 45 27.620 -10.655 9.873 1.00 0.00 C ATOM 701 CG GLU A 45 29.097 -10.867 10.133 1.00 0.00 C ATOM 702 CD GLU A 45 29.588 -12.187 9.576 1.00 0.00 C ATOM 703 OE1 GLU A 45 29.871 -12.256 8.362 1.00 0.00 O ATOM 704 OE2 GLU A 45 29.678 -13.169 10.343 1.00 0.00 O ATOM 0 H GLU A 45 27.713 -9.812 12.203 1.00 0.00 H new ATOM 0 HA GLU A 45 27.697 -8.515 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.054 -11.409 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.422 -10.814 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.665 -10.051 9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.284 -10.834 11.206 1.00 0.00 H new ATOM 711 N THR A 46 24.773 -9.762 10.647 1.00 0.00 N ATOM 712 CA THR A 46 23.342 -9.742 10.382 1.00 0.00 C ATOM 713 C THR A 46 22.787 -8.326 10.490 1.00 0.00 C ATOM 714 O THR A 46 21.926 -7.921 9.705 1.00 0.00 O ATOM 715 CB THR A 46 22.602 -10.664 11.368 1.00 0.00 C ATOM 716 OG1 THR A 46 23.267 -11.933 11.422 1.00 0.00 O ATOM 717 CG2 THR A 46 21.152 -10.867 10.949 1.00 0.00 C ATOM 0 H THR A 46 25.036 -10.297 11.475 1.00 0.00 H new ATOM 0 HA THR A 46 23.184 -10.102 9.365 1.00 0.00 H new ATOM 0 HB THR A 46 22.611 -10.194 12.351 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.799 -12.521 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.655 -11.522 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.642 -9.904 10.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.120 -11.320 9.958 1.00 0.00 H new ATOM 725 N LEU A 47 23.296 -7.570 11.454 1.00 0.00 N ATOM 726 CA LEU A 47 22.886 -6.187 11.629 1.00 0.00 C ATOM 727 C LEU A 47 23.286 -5.370 10.402 1.00 0.00 C ATOM 728 O LEU A 47 22.522 -4.531 9.925 1.00 0.00 O ATOM 729 CB LEU A 47 23.511 -5.605 12.900 1.00 0.00 C ATOM 730 CG LEU A 47 23.065 -4.184 13.263 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.560 -4.126 13.468 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.781 -3.712 14.518 1.00 0.00 C ATOM 0 H LEU A 47 23.993 -7.893 12.125 1.00 0.00 H new ATOM 0 HA LEU A 47 21.802 -6.145 11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.276 -6.265 13.735 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.595 -5.609 12.786 1.00 0.00 H new ATOM 0 HG LEU A 47 23.326 -3.523 12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.267 -3.108 13.725 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.056 -4.428 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.277 -4.800 14.276 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.455 -2.702 14.765 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.545 -4.381 15.345 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.857 -3.714 14.345 1.00 0.00 H new ATOM 744 N ARG A 48 24.478 -5.640 9.879 1.00 0.00 N ATOM 745 CA ARG A 48 24.941 -4.996 8.657 1.00 0.00 C ATOM 746 C ARG A 48 24.088 -5.437 7.468 1.00 0.00 C ATOM 747 O ARG A 48 23.815 -4.644 6.565 1.00 0.00 O ATOM 748 CB ARG A 48 26.422 -5.312 8.405 1.00 0.00 C ATOM 749 CG ARG A 48 26.982 -4.714 7.117 1.00 0.00 C ATOM 750 CD ARG A 48 26.810 -3.201 7.067 1.00 0.00 C ATOM 751 NE ARG A 48 27.355 -2.623 5.837 1.00 0.00 N ATOM 752 CZ ARG A 48 26.651 -1.868 4.985 1.00 0.00 C ATOM 753 NH1 ARG A 48 25.374 -1.605 5.216 1.00 0.00 N ATOM 754 NH2 ARG A 48 27.226 -1.373 3.899 1.00 0.00 N ATOM 0 H ARG A 48 25.141 -6.301 10.284 1.00 0.00 H new ATOM 0 HA ARG A 48 24.839 -3.917 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.008 -4.944 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.551 -6.394 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.040 -4.961 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.480 -5.164 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 48 25.751 -2.955 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.305 -2.752 7.928 1.00 0.00 H new ATOM 0 HE ARG A 48 28.333 -2.807 5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 48 24.919 -1.979 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 48 24.845 -1.029 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 48 28.209 -1.567 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 48 26.685 -0.798 3.253 1.00 0.00 H new ATOM 768 N VAL A 49 23.661 -6.698 7.483 1.00 0.00 N ATOM 769 CA VAL A 49 22.786 -7.234 6.440 1.00 0.00 C ATOM 770 C VAL A 49 21.479 -6.448 6.371 1.00 0.00 C ATOM 771 O VAL A 49 21.025 -6.084 5.288 1.00 0.00 O ATOM 772 CB VAL A 49 22.467 -8.733 6.663 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.430 -9.227 5.664 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.728 -9.573 6.558 1.00 0.00 C ATOM 0 H VAL A 49 23.908 -7.371 8.209 1.00 0.00 H new ATOM 0 HA VAL A 49 23.325 -7.133 5.498 1.00 0.00 H new ATOM 0 HB VAL A 49 22.057 -8.837 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.225 -10.282 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.510 -8.654 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.811 -9.099 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.481 -10.622 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.165 -9.450 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.444 -9.250 7.313 1.00 0.00 H new ATOM 784 N TRP A 50 20.883 -6.177 7.529 1.00 0.00 N ATOM 785 CA TRP A 50 19.639 -5.413 7.584 1.00 0.00 C ATOM 786 C TRP A 50 19.841 -4.007 7.019 1.00 0.00 C ATOM 787 O TRP A 50 18.967 -3.467 6.322 1.00 0.00 O ATOM 788 CB TRP A 50 19.121 -5.322 9.022 1.00 0.00 C ATOM 789 CG TRP A 50 18.749 -6.649 9.618 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.411 -7.789 8.945 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.662 -6.965 11.013 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.129 -8.795 9.835 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.276 -8.315 11.110 1.00 0.00 C ATOM 794 CE3 TRP A 50 18.880 -6.240 12.189 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.101 -8.952 12.335 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.704 -6.873 13.405 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.319 -8.218 13.470 1.00 0.00 C ATOM 0 H TRP A 50 21.239 -6.473 8.438 1.00 0.00 H new ATOM 0 HA TRP A 50 18.901 -5.935 6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.885 -4.856 9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.250 -4.668 9.044 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.372 -7.885 7.870 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.855 -9.746 9.588 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.181 -5.204 12.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.804 -9.989 12.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 18.866 -6.322 14.319 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.191 -8.686 14.435 1.00 0.00 H new ATOM 808 N VAL A 51 20.992 -3.420 7.325 1.00 0.00 N ATOM 809 CA VAL A 51 21.336 -2.103 6.818 1.00 0.00 C ATOM 810 C VAL A 51 21.552 -2.152 5.310 1.00 0.00 C ATOM 811 O VAL A 51 20.964 -1.368 4.575 1.00 0.00 O ATOM 812 CB VAL A 51 22.597 -1.531 7.505 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.925 -0.146 6.964 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.413 -1.485 9.016 1.00 0.00 C ATOM 0 H VAL A 51 21.703 -3.839 7.924 1.00 0.00 H new ATOM 0 HA VAL A 51 20.499 -1.443 7.045 1.00 0.00 H new ATOM 0 HB VAL A 51 23.434 -2.192 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.816 0.237 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.107 -0.208 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.087 0.526 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.312 -1.079 9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.561 -0.850 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.234 -2.492 9.392 1.00 0.00 H new ATOM 824 N ARG A 52 22.369 -3.101 4.856 1.00 0.00 N ATOM 825 CA ARG A 52 22.672 -3.234 3.431 1.00 0.00 C ATOM 826 C ARG A 52 21.425 -3.622 2.642 1.00 0.00 C ATOM 827 O ARG A 52 21.268 -3.237 1.483 1.00 0.00 O ATOM 828 CB ARG A 52 23.783 -4.263 3.198 1.00 0.00 C ATOM 829 CG ARG A 52 24.072 -4.518 1.722 1.00 0.00 C ATOM 830 CD ARG A 52 25.177 -5.544 1.526 1.00 0.00 C ATOM 831 NE ARG A 52 26.503 -5.005 1.842 1.00 0.00 N ATOM 832 CZ ARG A 52 27.398 -5.624 2.616 1.00 0.00 C ATOM 833 NH1 ARG A 52 27.057 -6.712 3.291 1.00 0.00 N ATOM 834 NH2 ARG A 52 28.623 -5.126 2.741 1.00 0.00 N ATOM 0 H ARG A 52 22.832 -3.787 5.452 1.00 0.00 H new ATOM 0 HA ARG A 52 23.020 -2.264 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 52 24.695 -3.918 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.503 -5.203 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 52 23.164 -4.865 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 52 24.357 -3.582 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.980 -6.411 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.166 -5.893 0.493 1.00 0.00 H new ATOM 0 HE ARG A 52 26.758 -4.100 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.108 -7.079 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 52 27.743 -7.182 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 52 28.879 -4.272 2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 52 29.308 -5.598 3.332 1.00 0.00 H new ATOM 848 N GLN A 53 20.537 -4.381 3.265 1.00 0.00 N ATOM 849 CA GLN A 53 19.279 -4.736 2.628 1.00 0.00 C ATOM 850 C GLN A 53 18.480 -3.478 2.326 1.00 0.00 C ATOM 851 O GLN A 53 17.902 -3.346 1.255 1.00 0.00 O ATOM 852 CB GLN A 53 18.466 -5.681 3.515 1.00 0.00 C ATOM 853 CG GLN A 53 17.299 -6.336 2.790 1.00 0.00 C ATOM 854 CD GLN A 53 17.754 -7.204 1.628 1.00 0.00 C ATOM 855 OE1 GLN A 53 18.842 -7.784 1.660 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.928 -7.304 0.600 1.00 0.00 N ATOM 0 H GLN A 53 20.662 -4.760 4.203 1.00 0.00 H new ATOM 0 HA GLN A 53 19.498 -5.253 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.124 -6.458 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.086 -5.126 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.732 -6.944 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.624 -5.564 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.037 -6.808 0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.182 -7.877 -0.205 1.00 0.00 H new ATOM 865 N HIS A 54 18.472 -2.541 3.272 1.00 0.00 N ATOM 866 CA HIS A 54 17.804 -1.259 3.065 1.00 0.00 C ATOM 867 C HIS A 54 18.647 -0.348 2.177 1.00 0.00 C ATOM 868 O HIS A 54 18.125 0.530 1.492 1.00 0.00 O ATOM 869 CB HIS A 54 17.506 -0.576 4.400 1.00 0.00 C ATOM 870 CG HIS A 54 16.284 -1.111 5.073 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.310 -2.141 5.992 1.00 0.00 N ATOM 872 CD2 HIS A 54 14.986 -0.742 4.962 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.078 -2.384 6.409 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.262 -1.548 5.799 1.00 0.00 N ATOM 0 H HIS A 54 18.918 -2.645 4.184 1.00 0.00 H new ATOM 0 HA HIS A 54 16.857 -1.452 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 54 18.362 -0.699 5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.383 0.494 4.234 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.147 -2.636 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.595 0.042 4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.790 -3.138 7.126 1.00 0.00 H new ATOM 883 N GLU A 55 19.952 -0.581 2.197 1.00 0.00 N ATOM 884 CA GLU A 55 20.897 0.138 1.353 1.00 0.00 C ATOM 885 C GLU A 55 20.572 -0.120 -0.120 1.00 0.00 C ATOM 886 O GLU A 55 20.783 0.734 -0.979 1.00 0.00 O ATOM 887 CB GLU A 55 22.313 -0.330 1.701 1.00 0.00 C ATOM 888 CG GLU A 55 23.425 0.633 1.335 1.00 0.00 C ATOM 889 CD GLU A 55 24.746 0.219 1.956 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.831 0.168 3.205 1.00 0.00 O ATOM 891 OE2 GLU A 55 25.704 -0.066 1.212 1.00 0.00 O ATOM 0 H GLU A 55 20.387 -1.277 2.802 1.00 0.00 H new ATOM 0 HA GLU A 55 20.826 1.212 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.360 -0.523 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.497 -1.279 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.529 0.675 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.163 1.637 1.670 1.00 0.00 H new ATOM 898 N ARG A 56 20.059 -1.315 -0.391 1.00 0.00 N ATOM 899 CA ARG A 56 19.568 -1.668 -1.720 1.00 0.00 C ATOM 900 C ARG A 56 18.066 -1.377 -1.844 1.00 0.00 C ATOM 901 O ARG A 56 17.572 -1.039 -2.920 1.00 0.00 O ATOM 902 CB ARG A 56 19.830 -3.153 -2.006 1.00 0.00 C ATOM 903 CG ARG A 56 19.056 -3.682 -3.203 1.00 0.00 C ATOM 904 CD ARG A 56 19.117 -5.196 -3.305 1.00 0.00 C ATOM 905 NE ARG A 56 20.340 -5.674 -3.945 1.00 0.00 N ATOM 906 CZ ARG A 56 20.360 -6.252 -5.146 1.00 0.00 C ATOM 907 NH1 ARG A 56 19.244 -6.345 -5.862 1.00 0.00 N ATOM 908 NH2 ARG A 56 21.494 -6.727 -5.639 1.00 0.00 N ATOM 0 H ARG A 56 19.972 -2.062 0.298 1.00 0.00 H new ATOM 0 HA ARG A 56 20.103 -1.060 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.896 -3.300 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 19.566 -3.737 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.015 -3.367 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.458 -3.242 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.044 -5.626 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.255 -5.552 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 56 21.223 -5.560 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.369 -5.973 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.263 -6.788 -6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 56 22.356 -6.651 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 56 21.505 -7.169 -6.558 1.00 0.00 H new ATOM 922 N ASP A 57 17.351 -1.516 -0.732 1.00 0.00 N ATOM 923 CA ASP A 57 15.890 -1.406 -0.723 1.00 0.00 C ATOM 924 C ASP A 57 15.419 -0.018 -1.138 1.00 0.00 C ATOM 925 O ASP A 57 14.323 0.127 -1.678 1.00 0.00 O ATOM 926 CB ASP A 57 15.345 -1.749 0.663 1.00 0.00 C ATOM 927 CG ASP A 57 13.839 -1.888 0.689 1.00 0.00 C ATOM 928 OD1 ASP A 57 13.312 -2.832 0.057 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.179 -1.089 1.379 1.00 0.00 O ATOM 0 H ASP A 57 17.760 -1.706 0.183 1.00 0.00 H new ATOM 0 HA ASP A 57 15.505 -2.117 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.796 -2.681 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.645 -0.973 1.367 1.00 0.00 H new ATOM 934 N THR A 58 16.240 0.998 -0.883 1.00 0.00 N ATOM 935 CA THR A 58 15.933 2.348 -1.334 1.00 0.00 C ATOM 936 C THR A 58 15.838 2.383 -2.864 1.00 0.00 C ATOM 937 O THR A 58 16.845 2.398 -3.580 1.00 0.00 O ATOM 938 CB THR A 58 16.963 3.384 -0.812 1.00 0.00 C ATOM 939 OG1 THR A 58 16.700 4.676 -1.375 1.00 0.00 O ATOM 940 CG2 THR A 58 18.396 2.965 -1.116 1.00 0.00 C ATOM 0 H THR A 58 17.117 0.911 -0.370 1.00 0.00 H new ATOM 0 HA THR A 58 14.966 2.629 -0.916 1.00 0.00 H new ATOM 0 HB THR A 58 16.854 3.433 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.356 5.320 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.084 3.719 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.604 2.007 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.526 2.869 -2.194 1.00 0.00 H new ATOM 948 N GLY A 59 14.607 2.369 -3.350 1.00 0.00 N ATOM 949 CA GLY A 59 14.353 2.231 -4.767 1.00 0.00 C ATOM 950 C GLY A 59 13.630 0.931 -5.048 1.00 0.00 C ATOM 951 O GLY A 59 12.464 0.780 -4.681 1.00 0.00 O ATOM 0 H GLY A 59 13.767 2.452 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.755 3.071 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.294 2.257 -5.316 1.00 0.00 H new ATOM 955 N GLY A 60 14.329 -0.008 -5.682 1.00 0.00 N ATOM 956 CA GLY A 60 13.794 -1.344 -5.888 1.00 0.00 C ATOM 957 C GLY A 60 12.472 -1.363 -6.635 1.00 0.00 C ATOM 958 O GLY A 60 12.435 -1.200 -7.854 1.00 0.00 O ATOM 0 H GLY A 60 15.265 0.135 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.523 -1.936 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.661 -1.826 -4.919 1.00 0.00 H new ATOM 962 N ASP A 61 11.389 -1.576 -5.897 1.00 0.00 N ATOM 963 CA ASP A 61 10.058 -1.641 -6.481 1.00 0.00 C ATOM 964 C ASP A 61 9.138 -0.661 -5.770 1.00 0.00 C ATOM 965 O ASP A 61 9.186 -0.534 -4.543 1.00 0.00 O ATOM 966 CB ASP A 61 9.506 -3.061 -6.381 1.00 0.00 C ATOM 967 CG ASP A 61 8.136 -3.196 -7.011 1.00 0.00 C ATOM 968 OD1 ASP A 61 8.061 -3.347 -8.249 1.00 0.00 O ATOM 969 OD2 ASP A 61 7.133 -3.166 -6.277 1.00 0.00 O ATOM 0 H ASP A 61 11.409 -1.707 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 61 10.116 -1.369 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.196 -3.751 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.450 -3.353 -5.332 1.00 0.00 H new ATOM 974 N ASP A 62 8.306 0.029 -6.531 1.00 0.00 N ATOM 975 CA ASP A 62 7.513 1.119 -5.982 1.00 0.00 C ATOM 976 C ASP A 62 6.206 0.628 -5.361 1.00 0.00 C ATOM 977 O ASP A 62 5.171 0.551 -6.028 1.00 0.00 O ATOM 978 CB ASP A 62 7.229 2.172 -7.057 1.00 0.00 C ATOM 979 CG ASP A 62 6.512 3.386 -6.501 1.00 0.00 C ATOM 980 OD1 ASP A 62 7.132 4.141 -5.720 1.00 0.00 O ATOM 981 OD2 ASP A 62 5.335 3.602 -6.858 1.00 0.00 O ATOM 0 H ASP A 62 8.161 -0.144 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 62 8.101 1.573 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.169 2.485 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.625 1.727 -7.847 1.00 0.00 H new ATOM 986 N GLY A 63 6.285 0.252 -4.088 1.00 0.00 N ATOM 987 CA GLY A 63 5.094 -0.044 -3.301 1.00 0.00 C ATOM 988 C GLY A 63 4.323 -1.269 -3.765 1.00 0.00 C ATOM 989 O GLY A 63 3.204 -1.507 -3.306 1.00 0.00 O ATOM 0 H GLY A 63 7.163 0.145 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.387 -0.187 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.430 0.820 -3.330 1.00 0.00 H new ATOM 993 N GLY A 64 4.901 -2.041 -4.672 1.00 0.00 N ATOM 994 CA GLY A 64 4.224 -3.218 -5.182 1.00 0.00 C ATOM 995 C GLY A 64 3.141 -2.871 -6.187 1.00 0.00 C ATOM 996 O GLY A 64 2.400 -3.744 -6.645 1.00 0.00 O ATOM 0 H GLY A 64 5.827 -1.875 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.953 -3.879 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.782 -3.769 -4.351 1.00 0.00 H new ATOM 1000 N LEU A 65 3.056 -1.596 -6.543 1.00 0.00 N ATOM 1001 CA LEU A 65 2.049 -1.131 -7.480 1.00 0.00 C ATOM 1002 C LEU A 65 2.713 -0.495 -8.694 1.00 0.00 C ATOM 1003 O LEU A 65 3.175 0.645 -8.644 1.00 0.00 O ATOM 1004 CB LEU A 65 1.106 -0.132 -6.804 1.00 0.00 C ATOM 1005 CG LEU A 65 -0.075 0.335 -7.658 1.00 0.00 C ATOM 1006 CD1 LEU A 65 -0.979 -0.839 -8.001 1.00 0.00 C ATOM 1007 CD2 LEU A 65 -0.860 1.418 -6.936 1.00 0.00 C ATOM 0 H LEU A 65 3.676 -0.865 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 65 1.462 -1.988 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.717 -0.585 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.684 0.742 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 65 0.315 0.754 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.814 -0.490 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.412 -1.585 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.360 -1.285 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.696 1.738 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.239 1.025 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.208 2.269 -6.738 1.00 0.00 H new ATOM 1019 N THR A 66 2.771 -1.250 -9.774 1.00 0.00 N ATOM 1020 CA THR A 66 3.388 -0.791 -11.003 1.00 0.00 C ATOM 1021 C THR A 66 2.352 -0.804 -12.129 1.00 0.00 C ATOM 1022 O THR A 66 2.672 -1.051 -13.292 1.00 0.00 O ATOM 1023 CB THR A 66 4.587 -1.698 -11.357 1.00 0.00 C ATOM 1024 OG1 THR A 66 5.337 -1.975 -10.166 1.00 0.00 O ATOM 1025 CG2 THR A 66 5.505 -1.034 -12.374 1.00 0.00 C ATOM 0 H THR A 66 2.393 -2.196 -9.824 1.00 0.00 H new ATOM 0 HA THR A 66 3.752 0.228 -10.872 1.00 0.00 H new ATOM 0 HB THR A 66 4.199 -2.619 -11.791 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.098 -2.552 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.338 -1.699 -12.601 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.947 -0.827 -13.287 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.888 -0.100 -11.963 1.00 0.00 H new ATOM 1033 N THR A 67 1.109 -0.508 -11.759 1.00 0.00 N ATOM 1034 CA THR A 67 -0.015 -0.543 -12.690 1.00 0.00 C ATOM 1035 C THR A 67 -0.236 -1.968 -13.198 1.00 0.00 C ATOM 1036 O THR A 67 0.230 -2.339 -14.277 1.00 0.00 O ATOM 1037 CB THR A 67 0.196 0.413 -13.885 1.00 0.00 C ATOM 1038 OG1 THR A 67 0.547 1.722 -13.407 1.00 0.00 O ATOM 1039 CG2 THR A 67 -1.058 0.509 -14.744 1.00 0.00 C ATOM 0 H THR A 67 0.853 -0.238 -10.809 1.00 0.00 H new ATOM 0 HA THR A 67 -0.899 -0.208 -12.147 1.00 0.00 H new ATOM 0 HB THR A 67 1.004 0.012 -14.497 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.681 2.323 -14.169 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.878 1.189 -15.576 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.311 -0.478 -15.130 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.884 0.885 -14.141 1.00 0.00 H new ATOM 1047 N ALA A 68 -0.932 -2.764 -12.396 1.00 0.00 N ATOM 1048 CA ALA A 68 -1.148 -4.171 -12.699 1.00 0.00 C ATOM 1049 C ALA A 68 -2.134 -4.785 -11.716 1.00 0.00 C ATOM 1050 O ALA A 68 -3.208 -5.250 -12.103 1.00 0.00 O ATOM 1051 CB ALA A 68 0.169 -4.933 -12.664 1.00 0.00 C ATOM 0 H ALA A 68 -1.360 -2.454 -11.523 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.567 -4.243 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.012 -5.983 -12.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.852 -4.513 -13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.612 -4.849 -11.671 1.00 0.00 H new ATOM 1057 N GLU A 69 -1.767 -4.785 -10.439 1.00 0.00 N ATOM 1058 CA GLU A 69 -2.607 -5.372 -9.408 1.00 0.00 C ATOM 1059 C GLU A 69 -2.432 -4.658 -8.073 1.00 0.00 C ATOM 1060 O GLU A 69 -1.317 -4.524 -7.565 1.00 0.00 O ATOM 1061 CB GLU A 69 -2.285 -6.859 -9.235 1.00 0.00 C ATOM 1062 CG GLU A 69 -3.170 -7.555 -8.210 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.815 -9.015 -8.028 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -3.027 -9.803 -8.971 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.317 -9.385 -6.944 1.00 0.00 O ATOM 0 H GLU A 69 -0.894 -4.385 -10.096 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.643 -5.259 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.392 -7.361 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.242 -6.965 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.083 -7.042 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.212 -7.474 -8.521 1.00 0.00 H new ATOM 1072 N ARG A 70 -3.545 -4.196 -7.527 1.00 0.00 N ATOM 1073 CA ARG A 70 -3.580 -3.684 -6.167 1.00 0.00 C ATOM 1074 C ARG A 70 -3.635 -4.878 -5.224 1.00 0.00 C ATOM 1075 O ARG A 70 -4.645 -5.586 -5.179 1.00 0.00 O ATOM 1076 CB ARG A 70 -4.809 -2.786 -5.978 1.00 0.00 C ATOM 1077 CG ARG A 70 -4.908 -2.123 -4.612 1.00 0.00 C ATOM 1078 CD ARG A 70 -3.831 -1.069 -4.411 1.00 0.00 C ATOM 1079 NE ARG A 70 -4.096 -0.247 -3.230 1.00 0.00 N ATOM 1080 CZ ARG A 70 -3.254 0.657 -2.738 1.00 0.00 C ATOM 1081 NH1 ARG A 70 -2.044 0.810 -3.261 1.00 0.00 N ATOM 1082 NH2 ARG A 70 -3.619 1.401 -1.702 1.00 0.00 N ATOM 0 H ARG A 70 -4.443 -4.165 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.695 -3.084 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.796 -2.010 -6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.706 -3.382 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.890 -1.663 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.823 -2.881 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.861 -1.555 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.775 -0.432 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.987 -0.376 -2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.752 0.231 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.406 1.507 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.542 1.278 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.976 2.096 -1.321 1.00 0.00 H new ATOM 1096 N GLN A 71 -2.544 -5.111 -4.505 1.00 0.00 N ATOM 1097 CA GLN A 71 -2.381 -6.330 -3.721 1.00 0.00 C ATOM 1098 C GLN A 71 -3.491 -6.493 -2.692 1.00 0.00 C ATOM 1099 O GLN A 71 -3.578 -5.736 -1.724 1.00 0.00 O ATOM 1100 CB GLN A 71 -1.017 -6.353 -3.027 1.00 0.00 C ATOM 1101 CG GLN A 71 -0.803 -7.584 -2.158 1.00 0.00 C ATOM 1102 CD GLN A 71 0.637 -7.756 -1.714 1.00 0.00 C ATOM 1103 OE1 GLN A 71 1.051 -7.253 -0.666 1.00 0.00 O ATOM 1104 NE2 GLN A 71 1.412 -8.464 -2.517 1.00 0.00 N ATOM 0 H GLN A 71 -1.754 -4.468 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.440 -7.168 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.232 -6.309 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.916 -5.460 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.443 -7.516 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.115 -8.470 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.029 -8.863 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.393 -8.612 -2.279 1.00 0.00 H new ATOM 1113 N ARG A 72 -4.337 -7.484 -2.917 1.00 0.00 N ATOM 1114 CA ARG A 72 -5.420 -7.791 -2.004 1.00 0.00 C ATOM 1115 C ARG A 72 -5.501 -9.288 -1.747 1.00 0.00 C ATOM 1116 O ARG A 72 -6.029 -10.051 -2.559 1.00 0.00 O ATOM 1117 CB ARG A 72 -6.756 -7.268 -2.535 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.949 -7.743 -1.722 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.155 -6.841 -1.904 1.00 0.00 C ATOM 1120 NE ARG A 72 -8.902 -5.505 -1.369 1.00 0.00 N ATOM 1121 CZ ARG A 72 -9.170 -5.143 -0.111 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.667 -6.028 0.752 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -8.914 -3.904 0.293 1.00 0.00 N ATOM 0 H ARG A 72 -4.292 -8.094 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.210 -7.288 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.737 -6.178 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.879 -7.588 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.208 -8.759 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.678 -7.778 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.403 -6.770 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.018 -7.279 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.497 -4.807 -1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.845 -6.987 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.870 -5.747 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.513 -3.228 -0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.119 -3.628 1.253 1.00 0.00 H new ATOM 1137 N LEU A 73 -4.946 -9.699 -0.623 1.00 0.00 N ATOM 1138 CA LEU A 73 -5.038 -11.075 -0.186 1.00 0.00 C ATOM 1139 C LEU A 73 -5.023 -11.128 1.333 1.00 0.00 C ATOM 1140 O LEU A 73 -3.972 -11.032 1.961 1.00 0.00 O ATOM 1141 CB LEU A 73 -3.899 -11.918 -0.776 1.00 0.00 C ATOM 1142 CG LEU A 73 -3.939 -13.410 -0.424 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -3.667 -14.251 -1.657 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -2.918 -13.730 0.658 1.00 0.00 C ATOM 0 H LEU A 73 -4.423 -9.092 0.008 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.976 -11.497 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.918 -11.817 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.949 -11.506 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.934 -13.647 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.699 -15.308 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.425 -14.044 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.682 -14.006 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.960 -14.793 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.919 -13.477 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.142 -13.149 1.553 1.00 0.00 H new ATOM 1156 N LYS A 74 -6.201 -11.227 1.918 1.00 0.00 N ATOM 1157 CA LYS A 74 -6.325 -11.355 3.358 1.00 0.00 C ATOM 1158 C LYS A 74 -6.932 -12.702 3.689 1.00 0.00 C ATOM 1159 O LYS A 74 -8.065 -12.982 3.298 1.00 0.00 O ATOM 1160 CB LYS A 74 -7.182 -10.227 3.936 1.00 0.00 C ATOM 1161 CG LYS A 74 -6.625 -8.837 3.668 1.00 0.00 C ATOM 1162 CD LYS A 74 -7.440 -7.765 4.373 1.00 0.00 C ATOM 1163 CE LYS A 74 -6.907 -6.373 4.081 1.00 0.00 C ATOM 1164 NZ LYS A 74 -7.646 -5.332 4.842 1.00 0.00 N ATOM 0 H LYS A 74 -7.089 -11.221 1.416 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.334 -11.282 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.186 -10.294 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.277 -10.370 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.589 -8.788 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.621 -8.646 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.481 -7.831 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.423 -7.943 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.848 -6.328 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.987 -6.169 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.255 -4.395 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.652 -5.359 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.549 -5.513 5.862 1.00 0.00 H new ATOM 1178 N GLU A 75 -6.167 -13.526 4.398 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.572 -14.896 4.716 1.00 0.00 C ATOM 1180 C GLU A 75 -6.784 -15.704 3.431 1.00 0.00 C ATOM 1181 O GLU A 75 -7.898 -15.793 2.912 1.00 0.00 O ATOM 1182 CB GLU A 75 -7.836 -14.903 5.587 1.00 0.00 C ATOM 1183 CG GLU A 75 -7.707 -14.035 6.830 1.00 0.00 C ATOM 1184 CD GLU A 75 -8.957 -14.036 7.681 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -9.955 -13.391 7.288 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -8.939 -14.658 8.763 1.00 0.00 O ATOM 0 H GLU A 75 -5.252 -13.267 4.768 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.772 -15.368 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.681 -14.555 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.058 -15.927 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.866 -14.388 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.478 -13.012 6.531 1.00 0.00 H new ATOM 1193 N PRO A 76 -5.693 -16.270 2.886 1.00 0.00 N ATOM 1194 CA PRO A 76 -5.720 -17.005 1.613 1.00 0.00 C ATOM 1195 C PRO A 76 -6.408 -18.363 1.716 1.00 0.00 C ATOM 1196 O PRO A 76 -6.997 -18.701 2.745 1.00 0.00 O ATOM 1197 CB PRO A 76 -4.240 -17.179 1.282 1.00 0.00 C ATOM 1198 CG PRO A 76 -3.556 -17.174 2.604 1.00 0.00 C ATOM 1199 CD PRO A 76 -4.341 -16.233 3.471 1.00 0.00 C ATOM 0 HA PRO A 76 -6.290 -16.470 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.061 -18.111 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.879 -16.371 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.533 -18.175 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.522 -16.845 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.345 -16.556 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.923 -15.227 3.451 1.00 0.00 H new ATOM 1207 N GLU A 77 -6.320 -19.148 0.650 1.00 0.00 N ATOM 1208 CA GLU A 77 -6.983 -20.440 0.604 1.00 0.00 C ATOM 1209 C GLU A 77 -6.137 -21.520 1.278 1.00 0.00 C ATOM 1210 O GLU A 77 -5.518 -22.359 0.624 1.00 0.00 O ATOM 1211 CB GLU A 77 -7.347 -20.841 -0.838 1.00 0.00 C ATOM 1212 CG GLU A 77 -6.193 -20.815 -1.837 1.00 0.00 C ATOM 1213 CD GLU A 77 -5.766 -19.413 -2.211 1.00 0.00 C ATOM 1214 OE1 GLU A 77 -6.465 -18.776 -3.019 1.00 0.00 O ATOM 1215 OE2 GLU A 77 -4.730 -18.942 -1.698 1.00 0.00 O ATOM 0 H GLU A 77 -5.796 -18.911 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.915 -20.346 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.768 -21.846 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.130 -20.173 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.341 -21.347 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.488 -21.352 -2.739 1.00 0.00 H new ATOM 1222 N ARG A 78 -6.087 -21.464 2.596 1.00 0.00 N ATOM 1223 CA ARG A 78 -5.422 -22.491 3.381 1.00 0.00 C ATOM 1224 C ARG A 78 -6.450 -23.553 3.746 1.00 0.00 C ATOM 1225 O ARG A 78 -6.994 -23.559 4.851 1.00 0.00 O ATOM 1226 CB ARG A 78 -4.806 -21.871 4.638 1.00 0.00 C ATOM 1227 CG ARG A 78 -3.766 -22.739 5.330 1.00 0.00 C ATOM 1228 CD ARG A 78 -2.547 -22.968 4.450 1.00 0.00 C ATOM 1229 NE ARG A 78 -2.041 -21.720 3.865 1.00 0.00 N ATOM 1230 CZ ARG A 78 -0.998 -21.028 4.330 1.00 0.00 C ATOM 1231 NH1 ARG A 78 -0.356 -21.424 5.422 1.00 0.00 N ATOM 1232 NH2 ARG A 78 -0.605 -19.931 3.695 1.00 0.00 N ATOM 0 H ARG A 78 -6.501 -20.714 3.149 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.616 -22.948 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.346 -20.920 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.604 -21.650 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.458 -22.264 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.210 -23.699 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.759 -23.436 5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.804 -23.664 3.651 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.522 -21.355 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.658 -22.264 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.440 -20.888 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.099 -19.622 2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.191 -19.397 4.044 1.00 0.00 H new ATOM 1246 N GLU A 79 -6.731 -24.430 2.797 1.00 0.00 N ATOM 1247 CA GLU A 79 -7.888 -25.307 2.892 1.00 0.00 C ATOM 1248 C GLU A 79 -7.514 -26.706 3.369 1.00 0.00 C ATOM 1249 O GLU A 79 -7.597 -27.012 4.560 1.00 0.00 O ATOM 1250 CB GLU A 79 -8.578 -25.406 1.531 1.00 0.00 C ATOM 1251 CG GLU A 79 -8.835 -24.066 0.863 1.00 0.00 C ATOM 1252 CD GLU A 79 -9.265 -24.221 -0.580 1.00 0.00 C ATOM 1253 OE1 GLU A 79 -8.475 -24.763 -1.386 1.00 0.00 O ATOM 1254 OE2 GLU A 79 -10.391 -23.810 -0.917 1.00 0.00 O ATOM 0 H GLU A 79 -6.174 -24.554 1.951 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.564 -24.872 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.965 -26.017 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.528 -25.925 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.606 -23.529 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.930 -23.460 0.908 1.00 0.00 H new ATOM 1261 N ASN A 80 -7.095 -27.552 2.437 1.00 0.00 N ATOM 1262 CA ASN A 80 -6.857 -28.956 2.742 1.00 0.00 C ATOM 1263 C ASN A 80 -5.390 -29.226 3.033 1.00 0.00 C ATOM 1264 O ASN A 80 -4.552 -29.222 2.128 1.00 0.00 O ATOM 1265 CB ASN A 80 -7.331 -29.840 1.587 1.00 0.00 C ATOM 1266 CG ASN A 80 -7.082 -31.318 1.848 1.00 0.00 C ATOM 1267 OD1 ASN A 80 -7.082 -31.767 2.997 1.00 0.00 O ATOM 1268 ND2 ASN A 80 -6.862 -32.083 0.787 1.00 0.00 N ATOM 0 H ASN A 80 -6.914 -27.292 1.468 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.428 -29.198 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.396 -29.677 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.818 -29.544 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.685 -33.080 0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.870 -31.674 -0.147 1.00 0.00 H new ATOM 1275 N ARG A 81 -5.085 -29.452 4.302 1.00 0.00 N ATOM 1276 CA ARG A 81 -3.736 -29.809 4.712 1.00 0.00 C ATOM 1277 C ARG A 81 -3.653 -31.301 5.015 1.00 0.00 C ATOM 1278 O ARG A 81 -2.561 -31.858 5.165 1.00 0.00 O ATOM 1279 CB ARG A 81 -3.326 -29.007 5.949 1.00 0.00 C ATOM 1280 CG ARG A 81 -4.169 -29.322 7.176 1.00 0.00 C ATOM 1281 CD ARG A 81 -3.734 -28.516 8.385 1.00 0.00 C ATOM 1282 NE ARG A 81 -2.336 -28.762 8.725 1.00 0.00 N ATOM 1283 CZ ARG A 81 -1.900 -29.009 9.955 1.00 0.00 C ATOM 1284 NH1 ARG A 81 -2.754 -29.061 10.968 1.00 0.00 N ATOM 1285 NH2 ARG A 81 -0.606 -29.211 10.163 1.00 0.00 N ATOM 0 H ARG A 81 -5.756 -29.394 5.068 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.054 -29.574 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.279 -29.209 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.404 -27.943 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.217 -29.114 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.095 -30.385 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.878 -27.454 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.365 -28.769 9.237 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.650 -28.743 7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.750 -28.911 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.415 -29.251 11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.048 -29.176 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.264 -29.401 11.105 1.00 0.00 H new ATOM 1299 N GLU A 82 -4.811 -31.945 5.085 1.00 0.00 N ATOM 1300 CA GLU A 82 -4.889 -33.343 5.469 1.00 0.00 C ATOM 1301 C GLU A 82 -4.741 -34.246 4.251 1.00 0.00 C ATOM 1302 O GLU A 82 -5.721 -34.794 3.738 1.00 0.00 O ATOM 1303 CB GLU A 82 -6.213 -33.630 6.180 1.00 0.00 C ATOM 1304 CG GLU A 82 -6.379 -32.891 7.502 1.00 0.00 C ATOM 1305 CD GLU A 82 -5.351 -33.309 8.535 1.00 0.00 C ATOM 1306 OE1 GLU A 82 -5.399 -34.472 8.988 1.00 0.00 O ATOM 1307 OE2 GLU A 82 -4.497 -32.477 8.905 1.00 0.00 O ATOM 0 H GLU A 82 -5.713 -31.515 4.879 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.069 -33.552 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.035 -33.359 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.291 -34.702 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.298 -31.818 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.379 -33.075 7.894 1.00 0.00 H new ATOM 1314 N LEU A 83 -3.513 -34.379 3.778 1.00 0.00 N ATOM 1315 CA LEU A 83 -3.221 -35.256 2.655 1.00 0.00 C ATOM 1316 C LEU A 83 -3.078 -36.689 3.142 1.00 0.00 C ATOM 1317 O LEU A 83 -1.967 -37.193 3.320 1.00 0.00 O ATOM 1318 CB LEU A 83 -1.951 -34.805 1.928 1.00 0.00 C ATOM 1319 CG LEU A 83 -2.017 -33.405 1.314 1.00 0.00 C ATOM 1320 CD1 LEU A 83 -0.692 -33.046 0.663 1.00 0.00 C ATOM 1321 CD2 LEU A 83 -3.151 -33.315 0.299 1.00 0.00 C ATOM 0 H LEU A 83 -2.701 -33.890 4.154 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.049 -35.204 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.118 -34.838 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.730 -35.522 1.137 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.215 -32.691 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.757 -32.047 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.099 -33.066 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.466 -33.767 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.180 -32.312 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.985 -34.041 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.099 -33.528 0.793 1.00 0.00 H new ATOM 1333 N ARG A 84 -4.214 -37.325 3.378 1.00 0.00 N ATOM 1334 CA ARG A 84 -4.256 -38.667 3.938 1.00 0.00 C ATOM 1335 C ARG A 84 -5.618 -39.302 3.691 1.00 0.00 C ATOM 1336 O ARG A 84 -6.465 -39.369 4.585 1.00 0.00 O ATOM 1337 CB ARG A 84 -3.943 -38.641 5.440 1.00 0.00 C ATOM 1338 CG ARG A 84 -4.691 -37.559 6.207 1.00 0.00 C ATOM 1339 CD ARG A 84 -4.385 -37.611 7.696 1.00 0.00 C ATOM 1340 NE ARG A 84 -2.946 -37.593 7.962 1.00 0.00 N ATOM 1341 CZ ARG A 84 -2.313 -36.606 8.603 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -2.975 -35.535 9.020 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -1.007 -36.686 8.817 1.00 0.00 N ATOM 0 H ARG A 84 -5.133 -36.926 3.187 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.495 -39.268 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.188 -39.612 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.871 -38.494 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.419 -36.580 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.763 -37.678 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.856 -36.763 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.821 -38.513 8.124 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.391 -38.385 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.978 -35.458 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.481 -34.788 9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.486 -37.501 8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.523 -35.933 9.306 1.00 0.00 H new ATOM 1357 N ARG A 85 -5.836 -39.755 2.467 1.00 0.00 N ATOM 1358 CA ARG A 85 -7.108 -40.355 2.101 1.00 0.00 C ATOM 1359 C ARG A 85 -7.097 -41.838 2.460 1.00 0.00 C ATOM 1360 O ARG A 85 -7.108 -42.713 1.594 1.00 0.00 O ATOM 1361 CB ARG A 85 -7.380 -40.154 0.611 1.00 0.00 C ATOM 1362 CG ARG A 85 -8.858 -40.116 0.263 1.00 0.00 C ATOM 1363 CD ARG A 85 -9.058 -39.806 -1.207 1.00 0.00 C ATOM 1364 NE ARG A 85 -10.450 -39.518 -1.536 1.00 0.00 N ATOM 1365 CZ ARG A 85 -10.924 -39.508 -2.781 1.00 0.00 C ATOM 1366 NH1 ARG A 85 -10.129 -39.821 -3.798 1.00 0.00 N ATOM 1367 NH2 ARG A 85 -12.190 -39.190 -3.013 1.00 0.00 N ATOM 0 H ARG A 85 -5.151 -39.719 1.712 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.910 -39.868 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.915 -39.223 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.904 -40.959 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.317 -41.075 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.360 -39.362 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.439 -38.952 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.715 -40.652 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.094 -39.313 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.155 -40.069 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.493 -39.813 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.806 -38.951 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.548 -39.184 -3.968 1.00 0.00 H new ATOM 1381 N SER A 86 -7.036 -42.098 3.751 1.00 0.00 N ATOM 1382 CA SER A 86 -6.963 -43.451 4.268 1.00 0.00 C ATOM 1383 C SER A 86 -7.540 -43.490 5.676 1.00 0.00 C ATOM 1384 O SER A 86 -6.972 -42.905 6.601 1.00 0.00 O ATOM 1385 CB SER A 86 -5.505 -43.930 4.279 1.00 0.00 C ATOM 1386 OG SER A 86 -5.393 -45.259 4.763 1.00 0.00 O ATOM 0 H SER A 86 -7.036 -41.377 4.472 1.00 0.00 H new ATOM 0 HA SER A 86 -7.543 -44.114 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.096 -43.874 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.908 -43.264 4.902 1.00 0.00 H new ATOM 0 HG SER A 86 -5.382 -45.250 5.743 1.00 0.00 H new ATOM 1392 N ASN A 87 -8.673 -44.154 5.835 1.00 0.00 N ATOM 1393 CA ASN A 87 -9.294 -44.273 7.144 1.00 0.00 C ATOM 1394 C ASN A 87 -8.712 -45.460 7.892 1.00 0.00 C ATOM 1395 O ASN A 87 -9.324 -46.525 7.964 1.00 0.00 O ATOM 1396 CB ASN A 87 -10.817 -44.424 7.039 1.00 0.00 C ATOM 1397 CG ASN A 87 -11.489 -43.218 6.406 1.00 0.00 C ATOM 1398 OD1 ASN A 87 -11.697 -43.173 5.191 1.00 0.00 O ATOM 1399 ND2 ASN A 87 -11.837 -42.235 7.222 1.00 0.00 N ATOM 0 H ASN A 87 -9.179 -44.616 5.079 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.084 -43.355 7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.049 -45.313 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.231 -44.583 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.295 -41.402 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.647 -42.311 8.221 1.00 0.00 H new ATOM 1406 N ASP A 88 -7.505 -45.282 8.405 1.00 0.00 N ATOM 1407 CA ASP A 88 -6.850 -46.318 9.189 1.00 0.00 C ATOM 1408 C ASP A 88 -7.566 -46.492 10.515 1.00 0.00 C ATOM 1409 O ASP A 88 -7.697 -45.545 11.293 1.00 0.00 O ATOM 1410 CB ASP A 88 -5.375 -45.981 9.410 1.00 0.00 C ATOM 1411 CG ASP A 88 -4.548 -46.182 8.156 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -4.554 -45.286 7.283 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -3.892 -47.241 8.033 1.00 0.00 O ATOM 0 H ASP A 88 -6.958 -44.429 8.293 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.899 -47.257 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.286 -44.946 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.977 -46.606 10.210 1.00 0.00 H new ATOM 1418 N ILE A 89 -8.050 -47.697 10.753 1.00 0.00 N ATOM 1419 CA ILE A 89 -8.849 -47.982 11.930 1.00 0.00 C ATOM 1420 C ILE A 89 -8.053 -48.748 12.974 1.00 0.00 C ATOM 1421 O ILE A 89 -6.948 -49.223 12.709 1.00 0.00 O ATOM 1422 CB ILE A 89 -10.109 -48.796 11.566 1.00 0.00 C ATOM 1423 CG1 ILE A 89 -9.718 -50.105 10.864 1.00 0.00 C ATOM 1424 CG2 ILE A 89 -11.045 -47.971 10.691 1.00 0.00 C ATOM 1425 CD1 ILE A 89 -10.894 -51.004 10.547 1.00 0.00 C ATOM 0 H ILE A 89 -7.902 -48.500 10.141 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.147 -47.019 12.345 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.637 -49.046 12.486 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.195 -49.867 9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.016 -50.650 11.496 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.927 -48.561 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.348 -47.073 11.229 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.530 -47.688 9.773 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.538 -51.908 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.406 -51.273 11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -11.586 -50.479 9.889 1.00 0.00 H new ATOM 1437 N LEU A 90 -8.619 -48.837 14.165 1.00 0.00 N ATOM 1438 CA LEU A 90 -8.047 -49.621 15.243 1.00 0.00 C ATOM 1439 C LEU A 90 -9.101 -50.594 15.758 1.00 0.00 C ATOM 1440 O LEU A 90 -10.222 -50.625 15.244 1.00 0.00 O ATOM 1441 CB LEU A 90 -7.557 -48.723 16.395 1.00 0.00 C ATOM 1442 CG LEU A 90 -6.417 -47.748 16.062 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -6.938 -46.516 15.334 1.00 0.00 C ATOM 1444 CD2 LEU A 90 -5.682 -47.343 17.330 1.00 0.00 C ATOM 0 H LEU A 90 -9.490 -48.366 14.411 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.185 -50.166 14.858 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.405 -48.145 16.762 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.230 -49.365 17.213 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.720 -48.259 15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.107 -45.846 15.113 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.418 -46.819 14.403 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.662 -46.000 15.964 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.877 -46.652 17.079 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.377 -46.857 18.014 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.264 -48.229 17.807 1.00 0.00 H new ATOM 1456 N ARG A 91 -8.749 -51.382 16.760 1.00 0.00 N ATOM 1457 CA ARG A 91 -9.702 -52.302 17.364 1.00 0.00 C ATOM 1458 C ARG A 91 -10.657 -51.559 18.286 1.00 0.00 C ATOM 1459 O ARG A 91 -10.263 -50.615 18.973 1.00 0.00 O ATOM 1460 CB ARG A 91 -8.981 -53.404 18.144 1.00 0.00 C ATOM 1461 CG ARG A 91 -8.543 -54.578 17.289 1.00 0.00 C ATOM 1462 CD ARG A 91 -7.889 -55.655 18.136 1.00 0.00 C ATOM 1463 NE ARG A 91 -7.710 -56.906 17.403 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.869 -57.870 17.767 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -6.083 -57.717 18.824 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -6.808 -58.989 17.064 1.00 0.00 N ATOM 0 H ARG A 91 -7.816 -51.405 17.172 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.274 -52.762 16.558 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.105 -52.976 18.632 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.640 -53.768 18.933 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.405 -54.994 16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.844 -54.236 16.526 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.920 -55.300 18.486 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.499 -55.839 19.020 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.265 -57.049 16.559 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.120 -56.854 19.366 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.442 -58.462 19.095 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.405 -59.110 16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.164 -59.730 17.340 1.00 0.00 H new ATOM 1480 N LEU A 92 -11.918 -51.973 18.277 1.00 0.00 N ATOM 1481 CA LEU A 92 -12.900 -51.416 19.188 1.00 0.00 C ATOM 1482 C LEU A 92 -12.672 -51.985 20.583 1.00 0.00 C ATOM 1483 O LEU A 92 -12.433 -53.187 20.734 1.00 0.00 O ATOM 1484 CB LEU A 92 -14.331 -51.674 18.678 1.00 0.00 C ATOM 1485 CG LEU A 92 -14.683 -53.123 18.315 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -15.158 -53.899 19.537 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -15.740 -53.148 17.220 1.00 0.00 C ATOM 0 H LEU A 92 -12.280 -52.691 17.649 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.781 -50.334 19.239 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.031 -51.335 19.442 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.495 -51.053 17.797 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.781 -53.609 17.944 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.400 -54.922 19.247 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.369 -53.912 20.289 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.045 -53.420 19.950 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.982 -54.181 16.971 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.638 -52.640 17.570 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.358 -52.641 16.334 1.00 0.00 H new ATOM 1499 N ALA A 93 -12.705 -51.103 21.582 1.00 0.00 N ATOM 1500 CA ALA A 93 -12.355 -51.445 22.963 1.00 0.00 C ATOM 1501 C ALA A 93 -10.867 -51.783 23.081 1.00 0.00 C ATOM 1502 O ALA A 93 -10.199 -52.047 22.082 1.00 0.00 O ATOM 1503 CB ALA A 93 -13.213 -52.590 23.499 1.00 0.00 C ATOM 0 H ALA A 93 -12.976 -50.128 21.457 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.560 -50.567 23.576 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.922 -52.813 24.526 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.263 -52.300 23.474 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.066 -53.475 22.880 1.00 0.00 H new ATOM 1509 N SER A 94 -10.359 -51.737 24.308 1.00 0.00 N ATOM 1510 CA SER A 94 -8.959 -52.036 24.595 1.00 0.00 C ATOM 1511 C SER A 94 -8.022 -51.022 23.940 1.00 0.00 C ATOM 1512 O SER A 94 -7.558 -51.216 22.816 1.00 0.00 O ATOM 1513 CB SER A 94 -8.600 -53.457 24.148 1.00 0.00 C ATOM 1514 OG SER A 94 -9.392 -54.420 24.825 1.00 0.00 O ATOM 0 H SER A 94 -10.906 -51.491 25.133 1.00 0.00 H new ATOM 0 HA SER A 94 -8.828 -51.966 25.675 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.748 -53.551 23.072 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.545 -53.647 24.343 1.00 0.00 H new ATOM 0 HG SER A 94 -9.145 -55.318 24.521 1.00 0.00 H new ATOM 1520 N ALA A 95 -7.762 -49.928 24.644 1.00 0.00 N ATOM 1521 CA ALA A 95 -6.812 -48.936 24.172 1.00 0.00 C ATOM 1522 C ALA A 95 -5.400 -49.501 24.232 1.00 0.00 C ATOM 1523 O ALA A 95 -5.090 -50.327 25.095 1.00 0.00 O ATOM 1524 CB ALA A 95 -6.909 -47.661 24.996 1.00 0.00 C ATOM 0 H ALA A 95 -8.195 -49.708 25.541 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.052 -48.689 23.138 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.188 -46.932 24.625 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.915 -47.251 24.914 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.693 -47.885 26.040 1.00 0.00 H new ATOM 1530 N TYR A 96 -4.549 -49.073 23.315 1.00 0.00 N ATOM 1531 CA TYR A 96 -3.180 -49.559 23.282 1.00 0.00 C ATOM 1532 C TYR A 96 -2.338 -48.818 24.312 1.00 0.00 C ATOM 1533 O TYR A 96 -2.145 -49.304 25.429 1.00 0.00 O ATOM 1534 CB TYR A 96 -2.583 -49.406 21.876 1.00 0.00 C ATOM 1535 CG TYR A 96 -1.160 -49.911 21.758 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -0.867 -51.261 21.903 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -0.110 -49.034 21.512 1.00 0.00 C ATOM 1538 CE1 TYR A 96 0.431 -51.725 21.804 1.00 0.00 C ATOM 1539 CE2 TYR A 96 1.190 -49.488 21.413 1.00 0.00 C ATOM 1540 CZ TYR A 96 1.455 -50.835 21.560 1.00 0.00 C ATOM 1541 OH TYR A 96 2.749 -51.292 21.460 1.00 0.00 O ATOM 0 H TYR A 96 -4.779 -48.395 22.588 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.180 -50.620 23.532 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.210 -49.944 21.165 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.610 -48.354 21.592 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.667 -51.960 22.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.315 -47.980 21.396 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.642 -52.778 21.917 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.995 -48.794 21.222 1.00 0.00 H new ATOM 0 HH TYR A 96 3.350 -50.538 21.285 1.00 0.00 H new ATOM 1551 N PHE A 97 -1.876 -47.633 23.936 1.00 0.00 N ATOM 1552 CA PHE A 97 -1.056 -46.802 24.802 1.00 0.00 C ATOM 1553 C PHE A 97 -0.655 -45.542 24.053 1.00 0.00 C ATOM 1554 O PHE A 97 -0.341 -45.597 22.863 1.00 0.00 O ATOM 1555 CB PHE A 97 0.204 -47.558 25.256 1.00 0.00 C ATOM 1556 CG PHE A 97 1.066 -46.787 26.219 1.00 0.00 C ATOM 1557 CD1 PHE A 97 0.610 -46.493 27.494 1.00 0.00 C ATOM 1558 CD2 PHE A 97 2.331 -46.353 25.848 1.00 0.00 C ATOM 1559 CE1 PHE A 97 1.398 -45.780 28.381 1.00 0.00 C ATOM 1560 CE2 PHE A 97 3.120 -45.641 26.730 1.00 0.00 C ATOM 1561 CZ PHE A 97 2.654 -45.354 27.998 1.00 0.00 C ATOM 0 H PHE A 97 -2.060 -47.222 23.021 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.635 -46.541 25.688 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.096 -48.496 25.723 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.797 -47.815 24.378 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.372 -46.824 27.799 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.703 -46.575 24.858 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.031 -45.557 29.372 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.102 -45.308 26.428 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.271 -44.798 28.688 1.00 0.00 H new ATOM 1571 N ALA A 98 -0.693 -44.413 24.740 1.00 0.00 N ATOM 1572 CA ALA A 98 -0.230 -43.161 24.165 1.00 0.00 C ATOM 1573 C ALA A 98 1.292 -43.162 24.117 1.00 0.00 C ATOM 1574 O ALA A 98 1.956 -42.907 25.117 1.00 0.00 O ATOM 1575 CB ALA A 98 -0.753 -41.976 24.966 1.00 0.00 C ATOM 0 H ALA A 98 -1.040 -44.337 25.696 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.615 -43.065 23.150 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.395 -41.048 24.519 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.843 -41.985 24.959 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.396 -42.045 25.993 1.00 0.00 H new ATOM 1581 N LYS A 99 1.836 -43.469 22.951 1.00 0.00 N ATOM 1582 CA LYS A 99 3.268 -43.666 22.798 1.00 0.00 C ATOM 1583 C LYS A 99 3.974 -42.328 22.623 1.00 0.00 C ATOM 1584 O LYS A 99 5.196 -42.230 22.757 1.00 0.00 O ATOM 1585 CB LYS A 99 3.527 -44.578 21.599 1.00 0.00 C ATOM 1586 CG LYS A 99 4.942 -45.122 21.526 1.00 0.00 C ATOM 1587 CD LYS A 99 5.085 -46.094 20.369 1.00 0.00 C ATOM 1588 CE LYS A 99 6.469 -46.718 20.326 1.00 0.00 C ATOM 1589 NZ LYS A 99 6.600 -47.681 19.204 1.00 0.00 N ATOM 0 H LYS A 99 1.302 -43.588 22.090 1.00 0.00 H new ATOM 0 HA LYS A 99 3.666 -44.138 23.696 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.829 -45.415 21.636 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.314 -44.026 20.684 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.647 -44.300 21.406 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.193 -45.623 22.461 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.335 -46.879 20.459 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.891 -45.574 19.431 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.219 -45.934 20.223 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.668 -47.228 21.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.557 -48.087 19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.900 -48.442 19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.434 -47.189 18.303 1.00 0.00 H new ATOM 1603 N ALA A 100 3.194 -41.298 22.324 1.00 0.00 N ATOM 1604 CA ALA A 100 3.723 -39.950 22.189 1.00 0.00 C ATOM 1605 C ALA A 100 4.275 -39.453 23.521 1.00 0.00 C ATOM 1606 O ALA A 100 5.174 -38.612 23.559 1.00 0.00 O ATOM 1607 CB ALA A 100 2.647 -39.005 21.672 1.00 0.00 C ATOM 0 H ALA A 100 2.188 -41.372 22.170 1.00 0.00 H new ATOM 0 HA ALA A 100 4.539 -39.973 21.467 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.060 -38.001 21.577 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.299 -39.348 20.698 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.811 -38.989 22.371 1.00 0.00 H new ATOM 1613 N GLU A 101 3.744 -39.990 24.610 1.00 0.00 N ATOM 1614 CA GLU A 101 4.185 -39.617 25.941 1.00 0.00 C ATOM 1615 C GLU A 101 4.908 -40.783 26.608 1.00 0.00 C ATOM 1616 O GLU A 101 4.372 -41.885 26.710 1.00 0.00 O ATOM 1617 CB GLU A 101 2.986 -39.160 26.778 1.00 0.00 C ATOM 1618 CG GLU A 101 1.831 -40.149 26.780 1.00 0.00 C ATOM 1619 CD GLU A 101 0.567 -39.582 27.391 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -0.058 -38.706 26.758 1.00 0.00 O ATOM 1621 OE2 GLU A 101 0.176 -40.028 28.492 1.00 0.00 O ATOM 0 H GLU A 101 3.002 -40.690 24.594 1.00 0.00 H new ATOM 0 HA GLU A 101 4.888 -38.787 25.865 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.313 -38.994 27.805 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.632 -38.202 26.397 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.625 -40.460 25.756 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.126 -41.042 27.331 1.00 0.00 H new ATOM 1628 N PHE A 102 6.145 -40.544 27.032 1.00 0.00 N ATOM 1629 CA PHE A 102 6.923 -41.560 27.735 1.00 0.00 C ATOM 1630 C PHE A 102 6.274 -41.891 29.078 1.00 0.00 C ATOM 1631 O PHE A 102 6.367 -43.016 29.573 1.00 0.00 O ATOM 1632 CB PHE A 102 8.370 -41.084 27.938 1.00 0.00 C ATOM 1633 CG PHE A 102 8.502 -39.850 28.792 1.00 0.00 C ATOM 1634 CD1 PHE A 102 8.316 -38.588 28.248 1.00 0.00 C ATOM 1635 CD2 PHE A 102 8.814 -39.954 30.139 1.00 0.00 C ATOM 1636 CE1 PHE A 102 8.439 -37.456 29.028 1.00 0.00 C ATOM 1637 CE2 PHE A 102 8.938 -38.824 30.924 1.00 0.00 C ATOM 1638 CZ PHE A 102 8.750 -37.575 30.369 1.00 0.00 C ATOM 0 H PHE A 102 6.631 -39.657 26.902 1.00 0.00 H new ATOM 0 HA PHE A 102 6.941 -42.465 27.128 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.945 -41.890 28.394 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.815 -40.886 26.963 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.072 -38.490 27.201 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.962 -40.929 30.579 1.00 0.00 H new ATOM 0 HE1 PHE A 102 8.292 -36.479 28.591 1.00 0.00 H new ATOM 0 HE2 PHE A 102 9.182 -38.918 31.972 1.00 0.00 H new ATOM 0 HZ PHE A 102 8.846 -36.691 30.982 1.00 0.00 H new ATOM 1648 N ASP A 103 5.613 -40.894 29.648 1.00 0.00 N ATOM 1649 CA ASP A 103 4.885 -41.043 30.895 1.00 0.00 C ATOM 1650 C ASP A 103 3.675 -40.125 30.849 1.00 0.00 C ATOM 1651 O ASP A 103 3.712 -39.090 30.178 1.00 0.00 O ATOM 1652 CB ASP A 103 5.781 -40.698 32.086 1.00 0.00 C ATOM 1653 CG ASP A 103 5.169 -41.093 33.414 1.00 0.00 C ATOM 1654 OD1 ASP A 103 5.362 -42.251 33.840 1.00 0.00 O ATOM 1655 OD2 ASP A 103 4.506 -40.248 34.048 1.00 0.00 O ATOM 0 H ASP A 103 5.568 -39.954 29.254 1.00 0.00 H new ATOM 0 HA ASP A 103 4.562 -42.077 31.018 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.741 -41.200 31.970 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.980 -39.626 32.087 1.00 0.00 H new ATOM 1660 N ARG A 104 2.611 -40.504 31.538 1.00 0.00 N ATOM 1661 CA ARG A 104 1.353 -39.773 31.461 1.00 0.00 C ATOM 1662 C ARG A 104 1.494 -38.368 32.034 1.00 0.00 C ATOM 1663 O ARG A 104 1.785 -38.197 33.219 1.00 0.00 O ATOM 1664 CB ARG A 104 0.255 -40.520 32.214 1.00 0.00 C ATOM 1665 CG ARG A 104 -1.140 -39.969 31.961 1.00 0.00 C ATOM 1666 CD ARG A 104 -2.175 -40.656 32.833 1.00 0.00 C ATOM 1667 NE ARG A 104 -3.541 -40.360 32.401 1.00 0.00 N ATOM 1668 CZ ARG A 104 -4.582 -40.272 33.224 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -4.396 -40.292 34.540 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -5.802 -40.121 32.730 1.00 0.00 N ATOM 0 H ARG A 104 2.592 -41.314 32.158 1.00 0.00 H new ATOM 0 HA ARG A 104 1.083 -39.694 30.408 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.279 -41.571 31.926 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.465 -40.477 33.283 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.150 -38.897 32.158 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.400 -40.103 30.911 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.012 -41.734 32.808 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.045 -40.338 33.868 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.705 -40.212 31.405 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.453 -40.375 34.921 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.196 -40.224 35.169 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.941 -40.073 31.721 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.602 -40.053 33.359 1.00 0.00 H new ATOM 1684 N LEU A 105 1.288 -37.370 31.189 1.00 0.00 N ATOM 1685 CA LEU A 105 1.342 -35.982 31.621 1.00 0.00 C ATOM 1686 C LEU A 105 0.089 -35.635 32.419 1.00 0.00 C ATOM 1687 O LEU A 105 -1.007 -36.103 32.107 1.00 0.00 O ATOM 1688 CB LEU A 105 1.484 -35.027 30.423 1.00 0.00 C ATOM 1689 CG LEU A 105 0.241 -34.852 29.536 1.00 0.00 C ATOM 1690 CD1 LEU A 105 0.428 -33.676 28.592 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -0.051 -36.112 28.738 1.00 0.00 C ATOM 0 H LEU A 105 1.081 -37.496 30.198 1.00 0.00 H new ATOM 0 HA LEU A 105 2.221 -35.860 32.255 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.775 -34.047 30.800 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.302 -35.383 29.797 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.609 -34.658 30.190 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.460 -33.564 27.970 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.583 -32.766 29.171 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.296 -33.854 27.957 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.936 -35.955 28.121 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.801 -36.343 28.098 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.228 -36.943 29.421 1.00 0.00 H new ATOM 1703 N TRP A 106 0.255 -34.828 33.453 1.00 0.00 N ATOM 1704 CA TRP A 106 -0.872 -34.404 34.263 1.00 0.00 C ATOM 1705 C TRP A 106 -1.534 -33.189 33.635 1.00 0.00 C ATOM 1706 O TRP A 106 -0.984 -32.084 33.656 1.00 0.00 O ATOM 1707 CB TRP A 106 -0.426 -34.099 35.692 1.00 0.00 C ATOM 1708 CG TRP A 106 0.229 -35.267 36.355 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -0.391 -36.296 36.999 1.00 0.00 C ATOM 1710 CD2 TRP A 106 1.631 -35.527 36.440 1.00 0.00 C ATOM 1711 NE1 TRP A 106 0.540 -37.183 37.476 1.00 0.00 N ATOM 1712 CE2 TRP A 106 1.791 -36.731 37.144 1.00 0.00 C ATOM 1713 CE3 TRP A 106 2.768 -34.854 35.985 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 3.041 -37.278 37.409 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 4.009 -35.400 36.246 1.00 0.00 C ATOM 1716 CH2 TRP A 106 4.136 -36.602 36.950 1.00 0.00 C ATOM 0 H TRP A 106 1.157 -34.455 33.750 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.598 -35.216 34.304 1.00 0.00 H new ATOM 0 HB2 TRP A 106 0.267 -33.258 35.680 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -1.291 -33.791 36.280 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.460 -36.398 37.117 1.00 0.00 H new ATOM 0 HE1 TRP A 106 0.335 -38.038 37.993 1.00 0.00 H new ATOM 0 HE3 TRP A 106 2.678 -33.926 35.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.143 -38.203 37.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.897 -34.890 35.901 1.00 0.00 H new ATOM 0 HH2 TRP A 106 5.121 -37.004 37.135 1.00 0.00 H new ATOM 1727 N LYS A 107 -2.702 -33.414 33.054 1.00 0.00 N ATOM 1728 CA LYS A 107 -3.446 -32.365 32.374 1.00 0.00 C ATOM 1729 C LYS A 107 -3.972 -31.338 33.372 1.00 0.00 C ATOM 1730 O LYS A 107 -4.066 -30.147 33.063 1.00 0.00 O ATOM 1731 CB LYS A 107 -4.599 -32.984 31.572 1.00 0.00 C ATOM 1732 CG LYS A 107 -5.467 -31.970 30.850 1.00 0.00 C ATOM 1733 CD LYS A 107 -6.462 -32.648 29.931 1.00 0.00 C ATOM 1734 CE LYS A 107 -7.434 -31.645 29.334 1.00 0.00 C ATOM 1735 NZ LYS A 107 -6.739 -30.525 28.643 1.00 0.00 N ATOM 0 H LYS A 107 -3.160 -34.325 33.040 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.776 -31.848 31.687 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.186 -33.679 30.841 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.225 -33.567 32.248 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.000 -31.360 31.580 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.836 -31.295 30.271 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.930 -33.162 29.131 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.014 -33.407 30.486 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.089 -32.154 28.627 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.069 -31.243 30.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.427 -29.982 28.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.298 -29.902 29.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.005 -30.908 28.013 1.00 0.00 H new ATOM 1749 N LYS A 108 -4.307 -31.808 34.569 1.00 0.00 N ATOM 1750 CA LYS A 108 -4.803 -30.943 35.627 1.00 0.00 C ATOM 1751 C LYS A 108 -4.771 -31.673 36.973 1.00 0.00 C ATOM 1752 O LYS A 108 -3.741 -31.592 37.670 1.00 0.00 O ATOM 1753 CB LYS A 108 -6.226 -30.462 35.309 1.00 0.00 C ATOM 1754 CG LYS A 108 -7.170 -31.574 34.863 1.00 0.00 C ATOM 1755 CD LYS A 108 -8.622 -31.150 34.983 1.00 0.00 C ATOM 1756 CE LYS A 108 -8.951 -30.718 36.404 1.00 0.00 C ATOM 1757 NZ LYS A 108 -8.529 -31.732 37.412 1.00 0.00 N ATOM 1758 OXT LYS A 108 -5.770 -32.340 37.321 1.00 0.00 O ATOM 0 H LYS A 108 -4.242 -32.792 34.829 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.153 -30.070 35.691 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.642 -29.979 36.193 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.177 -29.705 34.526 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.953 -31.845 33.830 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.998 -32.464 35.469 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.822 -30.329 34.294 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.271 -31.976 34.691 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.458 -29.769 36.617 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.024 -30.546 36.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.848 -31.436 38.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.952 -32.652 37.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.492 -31.816 37.407 1.00 0.00 H new TER 1772 LYS A 108