USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 457 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 ASN : amide:sc= -0.994! C(o=-9!,f=-15!) USER MOD Set 1.2: A 26 GLN : amide:sc= -5.06! C(o=-9!,f=-12!) USER MOD Set 1.3: A 55 GLN : amide:sc= -2.96! C(o=-9!,f=-17!) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.52 K(o=-2.9,f=-9.8!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.35 K(o=-2.9,f=-9.3!) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.753 K(o=0.11,f=-9.5!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= -0.647 (180deg=-1.51) USER MOD Set 4.1: A 6 ASN : amide:sc= -1.39! C(o=-1.7!,f=-10!) USER MOD Set 4.2: A 7 LYS NZ :NH3+ -172:sc= -0.288! (180deg=0.829) USER MOD Set 5.1: A 1 VAL N :NH3+ 161:sc= 1.82 (180deg=1.31) USER MOD Set 5.2: A 10 GLN : amide:sc= -3.36 K(o=-1.5,f=-10!) USER MOD Single : A 3 ASN : amide:sc= -0.286 K(o=-0.29,f=-5.1!) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0.361 (180deg=0.331) USER MOD Single : A 9 GLN : amide:sc= -2.78! C(o=-2.8!,f=-11!) USER MOD Single : A 11 ASN : amide:sc= 0.0237 X(o=0.024,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.871 K(o=0.87,f=-2.9!) USER MOD Single : A 28 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.106 USER MOD Single : A 39 SER OG : rot -32:sc= 0.887 USER MOD Single : A 40 GLN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 41 SER OG : rot -88:sc= 1.01 USER MOD Single : A 43 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.416 (180deg=-0.434!) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= 0.787 (180deg=-1.26!) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 2.65 (180deg=1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.699 -10.335 -8.398 1.00 0.00 N ATOM 2 CA VAL A 1 5.867 -11.110 -9.627 1.00 0.00 C ATOM 3 C VAL A 1 6.722 -12.357 -9.394 1.00 0.00 C ATOM 4 O VAL A 1 6.400 -13.485 -9.749 1.00 0.00 O ATOM 5 CB VAL A 1 6.474 -10.216 -10.738 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.430 -9.242 -11.301 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.733 -9.430 -10.317 1.00 0.00 C ATOM 0 H1 VAL A 1 5.407 -9.366 -8.636 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.971 -10.780 -7.804 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.600 -10.307 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 1 4.884 -11.453 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 1 6.791 -10.918 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.886 -8.629 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.598 -9.805 -11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.063 -8.599 -10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.087 -8.833 -11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.489 -8.773 -9.482 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.513 -10.128 -10.013 1.00 0.00 H new ATOM 19 N ASP A 2 7.836 -12.035 -8.758 1.00 0.00 N ATOM 20 CA ASP A 2 8.923 -12.870 -8.280 1.00 0.00 C ATOM 21 C ASP A 2 8.550 -14.222 -7.658 1.00 0.00 C ATOM 22 O ASP A 2 8.666 -15.282 -8.271 1.00 0.00 O ATOM 23 CB ASP A 2 9.674 -11.919 -7.282 1.00 0.00 C ATOM 24 CG ASP A 2 8.705 -11.120 -6.399 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.183 -10.104 -6.872 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.413 -11.545 -5.279 1.00 0.00 O ATOM 0 H ASP A 2 8.021 -11.056 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 2 9.526 -13.222 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.336 -12.510 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.303 -11.229 -7.845 1.00 0.00 H new ATOM 31 N ASN A 3 8.159 -14.196 -6.387 1.00 0.00 N ATOM 32 CA ASN A 3 7.719 -15.341 -5.615 1.00 0.00 C ATOM 33 C ASN A 3 6.916 -14.890 -4.408 1.00 0.00 C ATOM 34 O ASN A 3 5.745 -15.205 -4.200 1.00 0.00 O ATOM 35 CB ASN A 3 8.956 -16.170 -5.236 1.00 0.00 C ATOM 36 CG ASN A 3 10.210 -15.324 -5.112 1.00 0.00 C ATOM 37 OD1 ASN A 3 10.456 -14.643 -4.127 1.00 0.00 O ATOM 38 ND2 ASN A 3 10.993 -15.330 -6.173 1.00 0.00 N ATOM 0 H ASN A 3 8.142 -13.331 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 3 7.051 -15.972 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.771 -16.680 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.116 -16.942 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.835 -14.754 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.757 -15.911 -6.978 1.00 0.00 H new ATOM 45 N LYS A 4 7.622 -14.126 -3.588 1.00 0.00 N ATOM 46 CA LYS A 4 7.047 -13.523 -2.389 1.00 0.00 C ATOM 47 C LYS A 4 5.820 -12.686 -2.749 1.00 0.00 C ATOM 48 O LYS A 4 4.786 -12.754 -2.086 1.00 0.00 O ATOM 49 CB LYS A 4 8.084 -12.625 -1.702 1.00 0.00 C ATOM 50 CG LYS A 4 9.294 -13.387 -1.133 1.00 0.00 C ATOM 51 CD LYS A 4 10.195 -12.391 -0.377 1.00 0.00 C ATOM 52 CE LYS A 4 9.913 -12.291 1.140 1.00 0.00 C ATOM 53 NZ LYS A 4 8.508 -12.018 1.403 1.00 0.00 N ATOM 0 H LYS A 4 8.607 -13.905 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 4 6.750 -14.324 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.439 -11.884 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.598 -12.080 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.960 -14.179 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.852 -13.865 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.236 -12.681 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.075 -11.403 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.201 -13.222 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.526 -11.501 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.362 -11.906 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.227 -11.143 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.930 -12.809 1.055 1.00 0.00 H new ATOM 67 N PHE A 5 5.948 -11.881 -3.807 1.00 0.00 N ATOM 68 CA PHE A 5 4.858 -11.053 -4.319 1.00 0.00 C ATOM 69 C PHE A 5 3.931 -11.775 -5.300 1.00 0.00 C ATOM 70 O PHE A 5 4.168 -11.846 -6.511 1.00 0.00 O ATOM 71 CB PHE A 5 5.415 -9.831 -5.044 1.00 0.00 C ATOM 72 CG PHE A 5 6.048 -8.589 -4.451 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.144 -7.794 -3.725 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.391 -8.175 -4.575 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.562 -6.601 -3.134 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.812 -6.974 -3.980 1.00 0.00 C ATOM 77 CZ PHE A 5 6.895 -6.192 -3.264 1.00 0.00 C ATOM 0 H PHE A 5 6.816 -11.786 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 5 4.277 -10.780 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.163 -10.228 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.588 -9.463 -5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.116 -8.110 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.095 -8.781 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.861 -5.996 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.839 -6.654 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.219 -5.267 -2.809 1.00 0.00 H new ATOM 87 N ASN A 6 2.840 -12.300 -4.760 1.00 0.00 N ATOM 88 CA ASN A 6 1.815 -12.987 -5.525 1.00 0.00 C ATOM 89 C ASN A 6 0.910 -11.982 -6.268 1.00 0.00 C ATOM 90 O ASN A 6 0.941 -10.771 -6.025 1.00 0.00 O ATOM 91 CB ASN A 6 1.108 -13.879 -4.481 1.00 0.00 C ATOM 92 CG ASN A 6 0.019 -14.775 -5.037 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.098 -15.099 -6.222 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.857 -15.211 -4.152 1.00 0.00 N ATOM 0 H ASN A 6 2.641 -12.258 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 6 2.197 -13.604 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.856 -14.503 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.674 -13.239 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.626 -15.812 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.766 -14.947 -3.171 1.00 0.00 H new ATOM 101 N LYS A 7 0.064 -12.429 -7.194 1.00 0.00 N ATOM 102 CA LYS A 7 -0.794 -11.555 -7.996 1.00 0.00 C ATOM 103 C LYS A 7 -1.689 -10.530 -7.292 1.00 0.00 C ATOM 104 O LYS A 7 -1.715 -9.366 -7.708 1.00 0.00 O ATOM 105 CB LYS A 7 -1.575 -12.435 -8.996 1.00 0.00 C ATOM 106 CG LYS A 7 -2.172 -13.771 -8.508 1.00 0.00 C ATOM 107 CD LYS A 7 -3.415 -13.637 -7.617 1.00 0.00 C ATOM 108 CE LYS A 7 -3.863 -15.010 -7.108 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.928 -15.455 -6.090 1.00 0.00 N ATOM 0 H LYS A 7 -0.047 -13.419 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.103 -10.872 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.393 -11.835 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.908 -12.657 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.430 -14.376 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.405 -14.315 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.195 -12.984 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.224 -13.170 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.870 -14.950 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.896 -15.726 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.139 -16.440 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.958 -15.394 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.017 -14.850 -5.249 1.00 0.00 H new ATOM 123 N GLU A 8 -2.432 -10.847 -6.230 1.00 0.00 N ATOM 124 CA GLU A 8 -3.272 -9.864 -5.550 1.00 0.00 C ATOM 125 C GLU A 8 -2.372 -8.796 -4.940 1.00 0.00 C ATOM 126 O GLU A 8 -2.536 -7.589 -5.116 1.00 0.00 O ATOM 127 CB GLU A 8 -4.193 -10.543 -4.495 1.00 0.00 C ATOM 128 CG GLU A 8 -3.497 -11.298 -3.324 1.00 0.00 C ATOM 129 CD GLU A 8 -2.658 -12.455 -3.813 1.00 0.00 C ATOM 130 OE1 GLU A 8 -3.201 -13.531 -4.015 1.00 0.00 O ATOM 131 OE2 GLU A 8 -1.471 -12.277 -4.047 1.00 0.00 O ATOM 0 H GLU A 8 -2.468 -11.781 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.942 -9.387 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.838 -9.776 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.840 -11.249 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.867 -10.603 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.253 -11.667 -2.631 1.00 0.00 H new ATOM 138 N GLN A 9 -1.383 -9.317 -4.216 1.00 0.00 N ATOM 139 CA GLN A 9 -0.326 -8.618 -3.546 1.00 0.00 C ATOM 140 C GLN A 9 0.248 -7.512 -4.441 1.00 0.00 C ATOM 141 O GLN A 9 0.476 -6.365 -4.054 1.00 0.00 O ATOM 142 CB GLN A 9 0.599 -9.739 -3.266 1.00 0.00 C ATOM 143 CG GLN A 9 1.305 -9.587 -1.996 1.00 0.00 C ATOM 144 CD GLN A 9 2.290 -10.700 -1.793 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.052 -11.864 -2.091 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.445 -10.392 -1.279 1.00 0.00 N ATOM 0 H GLN A 9 -1.309 -10.325 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.600 -8.070 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.037 -10.673 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.327 -9.814 -4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.824 -8.629 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.587 -9.577 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.650 -9.425 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.145 -11.118 -1.127 1.00 0.00 H new ATOM 155 N GLN A 10 0.466 -7.919 -5.694 1.00 0.00 N ATOM 156 CA GLN A 10 0.965 -7.054 -6.742 1.00 0.00 C ATOM 157 C GLN A 10 -0.061 -6.060 -7.243 1.00 0.00 C ATOM 158 O GLN A 10 0.291 -4.894 -7.409 1.00 0.00 O ATOM 159 CB GLN A 10 1.509 -7.923 -7.883 1.00 0.00 C ATOM 160 CG GLN A 10 2.804 -8.639 -7.454 1.00 0.00 C ATOM 161 CD GLN A 10 3.976 -7.697 -7.442 1.00 0.00 C ATOM 162 OE1 GLN A 10 4.775 -7.619 -8.368 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.094 -7.001 -6.337 1.00 0.00 N ATOM 0 H GLN A 10 0.295 -8.876 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 10 1.766 -6.446 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.760 -8.659 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.703 -7.303 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.671 -9.069 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.007 -9.465 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.402 -7.102 -5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.878 -6.359 -6.220 1.00 0.00 H new ATOM 172 N ASN A 11 -1.317 -6.434 -7.499 1.00 0.00 N ATOM 173 CA ASN A 11 -2.306 -5.428 -7.936 1.00 0.00 C ATOM 174 C ASN A 11 -2.343 -4.288 -6.910 1.00 0.00 C ATOM 175 O ASN A 11 -2.278 -3.097 -7.207 1.00 0.00 O ATOM 176 CB ASN A 11 -3.712 -6.054 -8.099 1.00 0.00 C ATOM 177 CG ASN A 11 -4.636 -5.116 -8.869 1.00 0.00 C ATOM 178 OD1 ASN A 11 -4.501 -4.958 -10.077 1.00 0.00 O ATOM 179 ND2 ASN A 11 -5.605 -4.466 -8.253 1.00 0.00 N ATOM 0 H ASN A 11 -1.671 -7.387 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.008 -5.040 -8.910 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.633 -7.006 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.137 -6.266 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.221 -3.849 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.738 -4.581 -7.248 1.00 0.00 H new ATOM 186 N ALA A 12 -2.415 -4.752 -5.659 1.00 0.00 N ATOM 187 CA ALA A 12 -2.417 -3.910 -4.478 1.00 0.00 C ATOM 188 C ALA A 12 -1.170 -3.038 -4.418 1.00 0.00 C ATOM 189 O ALA A 12 -1.239 -1.839 -4.179 1.00 0.00 O ATOM 190 CB ALA A 12 -2.509 -4.851 -3.264 1.00 0.00 C ATOM 0 H ALA A 12 -2.475 -5.747 -5.444 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.262 -3.222 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.514 -4.262 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.427 -5.435 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.651 -5.523 -3.259 1.00 0.00 H new ATOM 196 N PHE A 13 -0.003 -3.646 -4.625 1.00 0.00 N ATOM 197 CA PHE A 13 1.275 -2.949 -4.655 1.00 0.00 C ATOM 198 C PHE A 13 1.281 -1.809 -5.676 1.00 0.00 C ATOM 199 O PHE A 13 1.800 -0.707 -5.483 1.00 0.00 O ATOM 200 CB PHE A 13 2.323 -4.006 -4.995 1.00 0.00 C ATOM 201 CG PHE A 13 3.753 -3.503 -4.920 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.403 -3.547 -3.676 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.443 -3.002 -6.039 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.725 -3.100 -3.537 1.00 0.00 C ATOM 205 CE2 PHE A 13 5.768 -2.552 -5.908 1.00 0.00 C ATOM 206 CZ PHE A 13 6.413 -2.599 -4.658 1.00 0.00 C ATOM 0 H PHE A 13 0.079 -4.651 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 13 1.482 -2.478 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.209 -4.849 -4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.133 -4.381 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.877 -3.931 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.953 -2.963 -7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.213 -3.140 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.293 -2.169 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.431 -2.252 -4.559 1.00 0.00 H new ATOM 216 N TYR A 14 0.686 -2.133 -6.817 1.00 0.00 N ATOM 217 CA TYR A 14 0.526 -1.184 -7.905 1.00 0.00 C ATOM 218 C TYR A 14 -0.349 -0.015 -7.467 1.00 0.00 C ATOM 219 O TYR A 14 0.032 1.149 -7.596 1.00 0.00 O ATOM 220 CB TYR A 14 -0.021 -1.896 -9.182 1.00 0.00 C ATOM 221 CG TYR A 14 0.860 -2.958 -9.891 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.945 -3.639 -9.284 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.564 -3.274 -11.237 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.707 -4.599 -9.986 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.316 -4.232 -11.956 1.00 0.00 C ATOM 226 CZ TYR A 14 2.394 -4.899 -11.326 1.00 0.00 C ATOM 227 OH TYR A 14 3.137 -5.829 -11.995 1.00 0.00 O ATOM 0 H TYR A 14 0.303 -3.058 -7.011 1.00 0.00 H new ATOM 0 HA TYR A 14 1.501 -0.774 -8.166 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.962 -2.377 -8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.256 -1.123 -9.914 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.196 -3.418 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.256 -2.772 -11.728 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.528 -5.102 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.068 -4.454 -12.983 1.00 0.00 H new ATOM 0 HH TYR A 14 2.796 -5.924 -12.909 1.00 0.00 H new ATOM 237 N GLU A 15 -1.534 -0.320 -6.926 1.00 0.00 N ATOM 238 CA GLU A 15 -2.444 0.699 -6.410 1.00 0.00 C ATOM 239 C GLU A 15 -1.703 1.593 -5.411 1.00 0.00 C ATOM 240 O GLU A 15 -1.823 2.816 -5.413 1.00 0.00 O ATOM 241 CB GLU A 15 -3.655 -0.010 -5.761 1.00 0.00 C ATOM 242 CG GLU A 15 -4.501 -0.742 -6.838 1.00 0.00 C ATOM 243 CD GLU A 15 -5.572 -1.641 -6.232 1.00 0.00 C ATOM 244 OE1 GLU A 15 -5.272 -2.786 -5.898 1.00 0.00 O ATOM 245 OE2 GLU A 15 -6.721 -1.212 -6.139 1.00 0.00 O ATOM 0 H GLU A 15 -1.884 -1.274 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.806 1.340 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.308 -0.725 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.274 0.720 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.975 -0.004 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.842 -1.341 -7.467 1.00 0.00 H new ATOM 252 N ILE A 16 -0.911 0.937 -4.561 1.00 0.00 N ATOM 253 CA ILE A 16 -0.064 1.573 -3.553 1.00 0.00 C ATOM 254 C ILE A 16 0.837 2.606 -4.219 1.00 0.00 C ATOM 255 O ILE A 16 0.788 3.792 -3.896 1.00 0.00 O ATOM 256 CB ILE A 16 0.732 0.420 -2.852 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.032 -0.059 -1.614 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.203 0.772 -2.523 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.328 0.676 -0.327 1.00 0.00 C ATOM 0 H ILE A 16 -0.840 -0.081 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.638 2.117 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 16 0.803 -0.396 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.101 0.054 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.157 -1.123 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.682 -0.080 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.734 1.012 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.230 1.632 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.259 0.273 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.389 0.542 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.112 1.738 -0.442 1.00 0.00 H new ATOM 271 N LEU A 17 1.670 2.176 -5.169 1.00 0.00 N ATOM 272 CA LEU A 17 2.537 3.093 -5.901 1.00 0.00 C ATOM 273 C LEU A 17 1.754 4.289 -6.440 1.00 0.00 C ATOM 274 O LEU A 17 2.123 5.449 -6.248 1.00 0.00 O ATOM 275 CB LEU A 17 3.221 2.321 -7.055 1.00 0.00 C ATOM 276 CG LEU A 17 4.399 1.452 -6.598 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.912 0.662 -7.804 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.547 2.315 -6.051 1.00 0.00 C ATOM 0 H LEU A 17 1.760 1.199 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 17 3.294 3.485 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.482 1.688 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.574 3.035 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 17 4.058 0.787 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.751 0.037 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.112 0.032 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.238 1.354 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.368 1.671 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.897 2.992 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.192 2.895 -5.199 1.00 0.00 H new ATOM 290 N HIS A 18 0.640 3.948 -7.096 1.00 0.00 N ATOM 291 CA HIS A 18 -0.299 4.899 -7.682 1.00 0.00 C ATOM 292 C HIS A 18 -0.973 5.861 -6.684 1.00 0.00 C ATOM 293 O HIS A 18 -1.616 6.818 -7.128 1.00 0.00 O ATOM 294 CB HIS A 18 -1.343 4.034 -8.441 1.00 0.00 C ATOM 295 CG HIS A 18 -1.975 4.781 -9.607 1.00 0.00 C ATOM 296 ND1 HIS A 18 -2.325 6.051 -9.653 1.00 0.00 N ATOM 297 CD2 HIS A 18 -2.311 4.221 -10.816 1.00 0.00 C ATOM 298 CE1 HIS A 18 -2.859 6.274 -10.825 1.00 0.00 C ATOM 299 NE2 HIS A 18 -2.850 5.171 -11.533 1.00 0.00 N ATOM 0 H HIS A 18 0.363 2.976 -7.236 1.00 0.00 H new ATOM 0 HA HIS A 18 0.244 5.581 -8.336 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.861 3.129 -8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.123 3.720 -7.748 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -2.201 6.737 -8.908 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.159 3.195 -11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.249 7.224 -11.160 1.00 0.00 H new ATOM 307 N LEU A 19 -0.883 5.695 -5.356 1.00 0.00 N ATOM 308 CA LEU A 19 -1.484 6.633 -4.406 1.00 0.00 C ATOM 309 C LEU A 19 -0.931 8.058 -4.602 1.00 0.00 C ATOM 310 O LEU A 19 0.177 8.377 -4.158 1.00 0.00 O ATOM 311 CB LEU A 19 -1.237 6.101 -2.972 1.00 0.00 C ATOM 312 CG LEU A 19 -1.986 4.831 -2.617 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.664 4.387 -1.188 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.507 4.971 -2.743 1.00 0.00 C ATOM 0 H LEU A 19 -0.396 4.914 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.558 6.702 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.169 5.921 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.514 6.879 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.650 4.085 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.214 3.474 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.594 4.199 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.955 5.171 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.983 4.028 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.857 5.757 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.765 5.228 -3.770 1.00 0.00 H new ATOM 326 N PRO A 20 -1.705 8.979 -5.207 1.00 0.00 N ATOM 327 CA PRO A 20 -1.275 10.345 -5.508 1.00 0.00 C ATOM 328 C PRO A 20 -1.361 11.358 -4.367 1.00 0.00 C ATOM 329 O PRO A 20 -0.947 12.510 -4.531 1.00 0.00 O ATOM 330 CB PRO A 20 -2.162 10.683 -6.698 1.00 0.00 C ATOM 331 CG PRO A 20 -3.499 10.124 -6.238 1.00 0.00 C ATOM 332 CD PRO A 20 -3.125 8.809 -5.537 1.00 0.00 C ATOM 0 HA PRO A 20 -0.204 10.401 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.207 11.756 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.814 10.213 -7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.007 10.809 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.171 9.952 -7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.727 8.647 -4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.284 7.949 -6.188 1.00 0.00 H new ATOM 340 N ASN A 21 -1.892 10.980 -3.202 1.00 0.00 N ATOM 341 CA ASN A 21 -1.956 11.892 -2.069 1.00 0.00 C ATOM 342 C ASN A 21 -1.657 11.197 -0.742 1.00 0.00 C ATOM 343 O ASN A 21 -2.310 11.389 0.284 1.00 0.00 O ATOM 344 CB ASN A 21 -3.310 12.663 -2.073 1.00 0.00 C ATOM 345 CG ASN A 21 -4.520 11.777 -2.282 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.718 11.154 -3.318 1.00 0.00 O ATOM 347 ND2 ASN A 21 -5.427 11.667 -1.343 1.00 0.00 N ATOM 0 H ASN A 21 -2.280 10.054 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.163 12.631 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.418 13.192 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.285 13.418 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.250 11.083 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.311 12.165 -0.461 1.00 0.00 H new ATOM 354 N LEU A 22 -0.611 10.371 -0.802 1.00 0.00 N ATOM 355 CA LEU A 22 -0.087 9.635 0.330 1.00 0.00 C ATOM 356 C LEU A 22 1.401 9.947 0.403 1.00 0.00 C ATOM 357 O LEU A 22 2.079 9.966 -0.627 1.00 0.00 O ATOM 358 CB LEU A 22 -0.282 8.121 0.121 1.00 0.00 C ATOM 359 CG LEU A 22 0.369 7.309 1.258 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.573 6.268 1.859 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.628 6.603 0.775 1.00 0.00 C ATOM 0 H LEU A 22 -0.097 10.197 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.603 9.919 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.347 7.893 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.152 7.825 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 22 0.617 8.034 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.059 5.728 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.452 6.766 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.881 5.566 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.066 6.038 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.375 5.923 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.346 7.342 0.419 1.00 0.00 H new ATOM 373 N ASN A 23 1.958 10.176 1.587 1.00 0.00 N ATOM 374 CA ASN A 23 3.380 10.519 1.637 1.00 0.00 C ATOM 375 C ASN A 23 4.310 9.362 1.231 1.00 0.00 C ATOM 376 O ASN A 23 4.205 8.207 1.655 1.00 0.00 O ATOM 377 CB ASN A 23 3.739 11.072 3.036 1.00 0.00 C ATOM 378 CG ASN A 23 3.614 10.009 4.111 1.00 0.00 C ATOM 379 OD1 ASN A 23 4.581 9.335 4.445 1.00 0.00 O ATOM 380 ND2 ASN A 23 2.447 9.805 4.698 1.00 0.00 N ATOM 0 H ASN A 23 1.478 10.135 2.486 1.00 0.00 H new ATOM 0 HA ASN A 23 3.547 11.294 0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.758 11.458 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.084 11.909 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.358 9.092 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.636 10.361 4.427 1.00 0.00 H new ATOM 387 N GLU A 24 5.235 9.725 0.343 1.00 0.00 N ATOM 388 CA GLU A 24 6.254 8.853 -0.229 1.00 0.00 C ATOM 389 C GLU A 24 6.893 7.877 0.762 1.00 0.00 C ATOM 390 O GLU A 24 7.061 6.688 0.487 1.00 0.00 O ATOM 391 CB GLU A 24 7.329 9.770 -0.862 1.00 0.00 C ATOM 392 CG GLU A 24 6.784 11.007 -1.653 1.00 0.00 C ATOM 393 CD GLU A 24 5.758 10.657 -2.717 1.00 0.00 C ATOM 394 OE1 GLU A 24 6.147 10.221 -3.796 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.563 10.817 -2.484 1.00 0.00 O ATOM 0 H GLU A 24 5.295 10.679 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 24 5.773 8.209 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.986 10.129 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.940 9.171 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.337 11.708 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.621 11.521 -2.125 1.00 0.00 H new ATOM 402 N GLU A 25 7.255 8.379 1.940 1.00 0.00 N ATOM 403 CA GLU A 25 7.839 7.604 3.034 1.00 0.00 C ATOM 404 C GLU A 25 6.935 6.428 3.425 1.00 0.00 C ATOM 405 O GLU A 25 7.322 5.254 3.448 1.00 0.00 O ATOM 406 CB GLU A 25 8.034 8.579 4.225 1.00 0.00 C ATOM 407 CG GLU A 25 9.032 9.752 3.949 1.00 0.00 C ATOM 408 CD GLU A 25 8.577 10.700 2.843 1.00 0.00 C ATOM 409 OE1 GLU A 25 7.426 11.140 2.854 1.00 0.00 O ATOM 410 OE2 GLU A 25 9.372 10.962 1.943 1.00 0.00 O ATOM 0 H GLU A 25 7.147 9.367 2.168 1.00 0.00 H new ATOM 0 HA GLU A 25 8.792 7.171 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.065 8.999 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.388 8.013 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.172 10.321 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.003 9.335 3.681 1.00 0.00 H new ATOM 417 N GLN A 26 5.683 6.768 3.742 1.00 0.00 N ATOM 418 CA GLN A 26 4.643 5.805 4.085 1.00 0.00 C ATOM 419 C GLN A 26 4.442 4.837 2.913 1.00 0.00 C ATOM 420 O GLN A 26 4.239 3.640 3.109 1.00 0.00 O ATOM 421 CB GLN A 26 3.432 6.686 4.450 1.00 0.00 C ATOM 422 CG GLN A 26 2.117 6.052 4.947 1.00 0.00 C ATOM 423 CD GLN A 26 1.284 7.167 5.563 1.00 0.00 C ATOM 424 OE1 GLN A 26 1.652 7.723 6.590 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.175 7.632 5.030 1.00 0.00 N ATOM 0 H GLN A 26 5.362 7.736 3.767 1.00 0.00 H new ATOM 0 HA GLN A 26 4.867 5.145 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.763 7.383 5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.189 7.278 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.581 5.582 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.319 5.272 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.192 7.217 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.318 8.407 5.473 1.00 0.00 H new ATOM 434 N ARG A 27 4.496 5.327 1.668 1.00 0.00 N ATOM 435 CA ARG A 27 4.383 4.487 0.467 1.00 0.00 C ATOM 436 C ARG A 27 5.472 3.415 0.532 1.00 0.00 C ATOM 437 O ARG A 27 5.218 2.225 0.377 1.00 0.00 O ATOM 438 CB ARG A 27 4.597 5.371 -0.770 1.00 0.00 C ATOM 439 CG ARG A 27 3.917 4.867 -2.063 1.00 0.00 C ATOM 440 CD ARG A 27 2.706 5.737 -2.445 1.00 0.00 C ATOM 441 NE ARG A 27 2.947 6.487 -3.676 1.00 0.00 N ATOM 442 CZ ARG A 27 3.551 7.652 -3.616 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.839 7.707 -3.647 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.888 8.750 -3.502 1.00 0.00 N ATOM 0 H ARG A 27 4.619 6.319 1.464 1.00 0.00 H new ATOM 0 HA ARG A 27 3.402 4.015 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.227 6.372 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.668 5.460 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.639 4.870 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.595 3.835 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.828 5.104 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.485 6.430 -1.633 1.00 0.00 H new ATOM 0 HE ARG A 27 2.648 6.109 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.385 6.848 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.312 8.609 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.869 8.728 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.382 9.642 -3.458 1.00 0.00 H new ATOM 458 N ASN A 28 6.710 3.853 0.770 1.00 0.00 N ATOM 459 CA ASN A 28 7.857 2.949 0.918 1.00 0.00 C ATOM 460 C ASN A 28 7.666 1.929 2.048 1.00 0.00 C ATOM 461 O ASN A 28 7.927 0.739 1.879 1.00 0.00 O ATOM 462 CB ASN A 28 9.148 3.767 1.122 1.00 0.00 C ATOM 463 CG ASN A 28 9.644 4.277 -0.216 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.168 3.523 -1.025 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.509 5.555 -0.504 1.00 0.00 N ATOM 0 H ASN A 28 6.947 4.840 0.866 1.00 0.00 H new ATOM 0 HA ASN A 28 7.939 2.372 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.958 4.604 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.912 3.148 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.841 5.914 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.073 6.186 0.168 1.00 0.00 H new ATOM 472 N ALA A 29 7.209 2.377 3.221 1.00 0.00 N ATOM 473 CA ALA A 29 6.940 1.494 4.349 1.00 0.00 C ATOM 474 C ALA A 29 5.953 0.410 3.921 1.00 0.00 C ATOM 475 O ALA A 29 6.143 -0.787 4.168 1.00 0.00 O ATOM 476 CB ALA A 29 6.395 2.341 5.508 1.00 0.00 C ATOM 0 H ALA A 29 7.017 3.361 3.411 1.00 0.00 H new ATOM 0 HA ALA A 29 7.850 0.995 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.187 1.697 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.134 3.091 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.476 2.837 5.195 1.00 0.00 H new ATOM 482 N PHE A 30 4.870 0.821 3.255 1.00 0.00 N ATOM 483 CA PHE A 30 3.905 -0.145 2.752 1.00 0.00 C ATOM 484 C PHE A 30 4.569 -1.066 1.722 1.00 0.00 C ATOM 485 O PHE A 30 4.471 -2.273 1.847 1.00 0.00 O ATOM 486 CB PHE A 30 2.652 0.543 2.188 1.00 0.00 C ATOM 487 CG PHE A 30 1.774 1.105 3.300 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.198 0.152 4.172 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.501 2.468 3.512 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.367 0.537 5.235 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.666 2.848 4.582 1.00 0.00 C ATOM 492 CZ PHE A 30 0.098 1.894 5.444 1.00 0.00 C ATOM 0 H PHE A 30 4.647 1.797 3.057 1.00 0.00 H new ATOM 0 HA PHE A 30 3.567 -0.760 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.949 1.348 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.079 -0.171 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.403 -0.897 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.927 3.217 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.062 -0.209 5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.458 3.895 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.539 2.205 6.259 1.00 0.00 H new ATOM 502 N ILE A 31 5.265 -0.549 0.709 1.00 0.00 N ATOM 503 CA ILE A 31 5.983 -1.319 -0.313 1.00 0.00 C ATOM 504 C ILE A 31 6.806 -2.452 0.286 1.00 0.00 C ATOM 505 O ILE A 31 6.751 -3.615 -0.116 1.00 0.00 O ATOM 506 CB ILE A 31 6.895 -0.309 -1.075 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.058 0.432 -2.128 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.166 -0.939 -1.693 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.723 1.744 -2.583 1.00 0.00 C ATOM 0 H ILE A 31 5.349 0.458 0.570 1.00 0.00 H new ATOM 0 HA ILE A 31 5.272 -1.798 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 31 7.276 0.398 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.908 -0.216 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.072 0.650 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.743 -0.168 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.773 -1.383 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.879 -1.711 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.094 2.232 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.849 2.405 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.698 1.526 -3.019 1.00 0.00 H new ATOM 521 N GLN A 32 7.580 -2.069 1.294 1.00 0.00 N ATOM 522 CA GLN A 32 8.441 -2.918 2.047 1.00 0.00 C ATOM 523 C GLN A 32 7.607 -4.015 2.715 1.00 0.00 C ATOM 524 O GLN A 32 7.843 -5.205 2.491 1.00 0.00 O ATOM 525 CB GLN A 32 9.051 -1.819 2.883 1.00 0.00 C ATOM 526 CG GLN A 32 10.074 -2.138 3.857 1.00 0.00 C ATOM 527 CD GLN A 32 11.438 -2.374 3.250 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.880 -3.482 2.971 1.00 0.00 O ATOM 529 NE2 GLN A 32 12.147 -1.291 3.034 1.00 0.00 N ATOM 0 H GLN A 32 7.612 -1.100 1.611 1.00 0.00 H new ATOM 0 HA GLN A 32 9.202 -3.539 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.473 -1.085 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.238 -1.326 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.143 -1.324 4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.773 -3.028 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.765 -0.376 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.080 -1.365 2.628 1.00 0.00 H new ATOM 538 N SER A 33 6.593 -3.664 3.512 1.00 0.00 N ATOM 539 CA SER A 33 5.751 -4.696 4.127 1.00 0.00 C ATOM 540 C SER A 33 5.000 -5.575 3.117 1.00 0.00 C ATOM 541 O SER A 33 4.764 -6.749 3.389 1.00 0.00 O ATOM 542 CB SER A 33 4.755 -4.108 5.122 1.00 0.00 C ATOM 543 OG SER A 33 4.120 -5.195 5.786 1.00 0.00 O ATOM 0 H SER A 33 6.340 -2.703 3.742 1.00 0.00 H new ATOM 0 HA SER A 33 6.457 -5.337 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.265 -3.465 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.019 -3.490 4.608 1.00 0.00 H new ATOM 0 HG SER A 33 3.473 -4.849 6.435 1.00 0.00 H new ATOM 549 N LEU A 34 4.574 -5.045 1.966 1.00 0.00 N ATOM 550 CA LEU A 34 3.898 -5.777 0.895 1.00 0.00 C ATOM 551 C LEU A 34 4.860 -6.794 0.280 1.00 0.00 C ATOM 552 O LEU A 34 4.483 -7.888 -0.153 1.00 0.00 O ATOM 553 CB LEU A 34 3.435 -4.772 -0.191 1.00 0.00 C ATOM 554 CG LEU A 34 2.356 -3.770 0.270 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.323 -2.552 -0.655 1.00 0.00 C ATOM 556 CD2 LEU A 34 0.970 -4.401 0.298 1.00 0.00 C ATOM 0 H LEU A 34 4.696 -4.056 1.748 1.00 0.00 H new ATOM 0 HA LEU A 34 3.034 -6.304 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.303 -4.213 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.050 -5.332 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 34 2.622 -3.464 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.556 -1.857 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.294 -2.057 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.095 -2.873 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.240 -3.662 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.708 -4.748 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.968 -5.245 0.988 1.00 0.00 H new ATOM 568 N LYS A 35 6.129 -6.381 0.205 1.00 0.00 N ATOM 569 CA LYS A 35 7.225 -7.200 -0.283 1.00 0.00 C ATOM 570 C LYS A 35 7.469 -8.369 0.681 1.00 0.00 C ATOM 571 O LYS A 35 7.738 -9.508 0.290 1.00 0.00 O ATOM 572 CB LYS A 35 8.453 -6.274 -0.372 1.00 0.00 C ATOM 573 CG LYS A 35 9.747 -6.912 -0.879 1.00 0.00 C ATOM 574 CD LYS A 35 10.970 -6.203 -0.247 1.00 0.00 C ATOM 575 CE LYS A 35 11.266 -6.703 1.186 1.00 0.00 C ATOM 576 NZ LYS A 35 10.628 -5.915 2.235 1.00 0.00 N ATOM 0 H LYS A 35 6.421 -5.446 0.490 1.00 0.00 H new ATOM 0 HA LYS A 35 7.008 -7.634 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.205 -5.438 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.641 -5.859 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.762 -7.973 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.796 -6.840 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.846 -6.367 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.792 -5.128 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.937 -7.739 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.344 -6.696 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.873 -6.311 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.959 -4.931 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.596 -5.940 2.109 1.00 0.00 H new ATOM 590 N ASP A 36 7.395 -8.057 1.980 1.00 0.00 N ATOM 591 CA ASP A 36 7.542 -9.032 3.056 1.00 0.00 C ATOM 592 C ASP A 36 6.368 -10.013 3.237 1.00 0.00 C ATOM 593 O ASP A 36 6.547 -11.212 2.986 1.00 0.00 O ATOM 594 CB ASP A 36 7.873 -8.251 4.353 1.00 0.00 C ATOM 595 CG ASP A 36 9.235 -7.579 4.271 1.00 0.00 C ATOM 596 OD1 ASP A 36 10.190 -8.200 3.806 1.00 0.00 O ATOM 597 OD2 ASP A 36 9.363 -6.409 4.623 1.00 0.00 O ATOM 0 H ASP A 36 7.229 -7.107 2.313 1.00 0.00 H new ATOM 0 HA ASP A 36 8.356 -9.703 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.105 -7.498 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.854 -8.932 5.203 1.00 0.00 H new ATOM 602 N ASP A 37 5.170 -9.576 3.643 1.00 0.00 N ATOM 603 CA ASP A 37 4.033 -10.464 3.877 1.00 0.00 C ATOM 604 C ASP A 37 2.981 -10.451 2.755 1.00 0.00 C ATOM 605 O ASP A 37 2.445 -9.400 2.376 1.00 0.00 O ATOM 606 CB ASP A 37 3.402 -10.186 5.231 1.00 0.00 C ATOM 607 CG ASP A 37 2.320 -11.190 5.639 1.00 0.00 C ATOM 608 OD1 ASP A 37 1.400 -11.453 4.869 1.00 0.00 O ATOM 609 OD2 ASP A 37 2.381 -11.733 6.736 1.00 0.00 O ATOM 0 H ASP A 37 4.965 -8.592 3.818 1.00 0.00 H new ATOM 0 HA ASP A 37 4.440 -11.475 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.184 -10.184 5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.968 -9.186 5.218 1.00 0.00 H new ATOM 614 N PRO A 38 2.627 -11.626 2.217 1.00 0.00 N ATOM 615 CA PRO A 38 1.614 -11.752 1.182 1.00 0.00 C ATOM 616 C PRO A 38 0.174 -11.666 1.684 1.00 0.00 C ATOM 617 O PRO A 38 -0.624 -10.884 1.166 1.00 0.00 O ATOM 618 CB PRO A 38 1.970 -13.092 0.539 1.00 0.00 C ATOM 619 CG PRO A 38 2.426 -13.920 1.723 1.00 0.00 C ATOM 620 CD PRO A 38 3.226 -12.917 2.561 1.00 0.00 C ATOM 0 HA PRO A 38 1.629 -10.919 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.113 -13.541 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.757 -12.986 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.582 -14.327 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.040 -14.765 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.141 -13.127 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.287 -12.945 2.314 1.00 0.00 H new ATOM 628 N SER A 39 -0.184 -12.430 2.715 1.00 0.00 N ATOM 629 CA SER A 39 -1.544 -12.480 3.256 1.00 0.00 C ATOM 630 C SER A 39 -2.075 -11.148 3.786 1.00 0.00 C ATOM 631 O SER A 39 -3.216 -10.754 3.542 1.00 0.00 O ATOM 632 CB SER A 39 -1.589 -13.526 4.383 1.00 0.00 C ATOM 633 OG SER A 39 -0.806 -13.132 5.510 1.00 0.00 O ATOM 0 H SER A 39 0.470 -13.040 3.205 1.00 0.00 H new ATOM 0 HA SER A 39 -2.193 -12.745 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.622 -13.679 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.226 -14.482 4.005 1.00 0.00 H new ATOM 0 HG SER A 39 -0.041 -12.600 5.207 1.00 0.00 H new ATOM 639 N GLN A 40 -1.243 -10.420 4.520 1.00 0.00 N ATOM 640 CA GLN A 40 -1.616 -9.150 5.107 1.00 0.00 C ATOM 641 C GLN A 40 -1.688 -8.023 4.086 1.00 0.00 C ATOM 642 O GLN A 40 -2.380 -7.044 4.361 1.00 0.00 O ATOM 643 CB GLN A 40 -0.579 -8.771 6.180 1.00 0.00 C ATOM 644 CG GLN A 40 -0.484 -9.766 7.361 1.00 0.00 C ATOM 645 CD GLN A 40 0.434 -9.190 8.427 1.00 0.00 C ATOM 646 OE1 GLN A 40 0.069 -8.258 9.134 1.00 0.00 O ATOM 647 NE2 GLN A 40 1.647 -9.669 8.592 1.00 0.00 N ATOM 0 H GLN A 40 -0.284 -10.701 4.723 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.611 -9.273 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.401 -8.692 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.825 -7.784 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.474 -9.950 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.101 -10.726 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.972 -10.445 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.263 -9.265 9.297 1.00 0.00 H new ATOM 656 N SER A 41 -1.041 -8.105 2.910 1.00 0.00 N ATOM 657 CA SER A 41 -1.031 -7.019 1.911 1.00 0.00 C ATOM 658 C SER A 41 -2.399 -6.438 1.598 1.00 0.00 C ATOM 659 O SER A 41 -2.520 -5.226 1.402 1.00 0.00 O ATOM 660 CB SER A 41 -0.398 -7.488 0.588 1.00 0.00 C ATOM 661 OG SER A 41 -1.223 -8.470 -0.022 1.00 0.00 O ATOM 0 H SER A 41 -0.509 -8.927 2.624 1.00 0.00 H new ATOM 0 HA SER A 41 -0.437 -6.232 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.270 -6.640 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.594 -7.899 0.775 1.00 0.00 H new ATOM 0 HG SER A 41 -0.981 -9.357 0.318 1.00 0.00 H new ATOM 667 N ALA A 42 -3.460 -7.242 1.539 1.00 0.00 N ATOM 668 CA ALA A 42 -4.791 -6.696 1.296 1.00 0.00 C ATOM 669 C ALA A 42 -5.118 -5.635 2.357 1.00 0.00 C ATOM 670 O ALA A 42 -5.622 -4.536 2.095 1.00 0.00 O ATOM 671 CB ALA A 42 -5.790 -7.865 1.324 1.00 0.00 C ATOM 0 H ALA A 42 -3.425 -8.255 1.654 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.846 -6.204 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.797 -7.488 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.529 -8.585 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.753 -8.352 2.298 1.00 0.00 H new ATOM 677 N ASN A 43 -4.752 -5.974 3.597 1.00 0.00 N ATOM 678 CA ASN A 43 -4.982 -5.094 4.729 1.00 0.00 C ATOM 679 C ASN A 43 -4.017 -3.930 4.558 1.00 0.00 C ATOM 680 O ASN A 43 -4.447 -2.789 4.558 1.00 0.00 O ATOM 681 CB ASN A 43 -4.781 -5.853 6.061 1.00 0.00 C ATOM 682 CG ASN A 43 -5.373 -5.096 7.242 1.00 0.00 C ATOM 683 OD1 ASN A 43 -4.936 -5.256 8.374 1.00 0.00 O ATOM 684 ND2 ASN A 43 -6.403 -4.292 7.055 1.00 0.00 N ATOM 0 H ASN A 43 -4.295 -6.854 3.835 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.007 -4.725 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.245 -6.837 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.716 -6.014 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.826 -3.812 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.776 -4.151 6.116 1.00 0.00 H new ATOM 691 N LEU A 44 -2.717 -4.161 4.374 1.00 0.00 N ATOM 692 CA LEU A 44 -1.753 -3.079 4.146 1.00 0.00 C ATOM 693 C LEU A 44 -2.131 -2.073 3.051 1.00 0.00 C ATOM 694 O LEU A 44 -1.823 -0.882 3.093 1.00 0.00 O ATOM 695 CB LEU A 44 -0.351 -3.670 3.871 1.00 0.00 C ATOM 696 CG LEU A 44 -0.017 -5.026 4.488 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.389 -5.466 4.090 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.089 -4.947 6.016 1.00 0.00 C ATOM 0 H LEU A 44 -2.303 -5.093 4.378 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.757 -2.498 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.229 -3.754 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.390 -2.951 4.221 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.745 -5.749 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.608 -6.434 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.451 -5.547 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.113 -4.731 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.151 -5.921 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.625 -4.207 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.095 -4.657 6.318 1.00 0.00 H new ATOM 710 N LEU A 45 -2.858 -2.564 2.061 1.00 0.00 N ATOM 711 CA LEU A 45 -3.285 -1.793 0.898 1.00 0.00 C ATOM 712 C LEU A 45 -4.414 -0.903 1.341 1.00 0.00 C ATOM 713 O LEU A 45 -4.405 0.310 1.149 1.00 0.00 O ATOM 714 CB LEU A 45 -3.779 -2.661 -0.279 1.00 0.00 C ATOM 715 CG LEU A 45 -4.536 -1.832 -1.362 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.643 -0.759 -2.008 1.00 0.00 C ATOM 717 CD2 LEU A 45 -5.154 -2.732 -2.434 1.00 0.00 C ATOM 0 H LEU A 45 -3.177 -3.533 2.040 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.421 -1.239 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.927 -3.160 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.438 -3.441 0.102 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.344 -1.317 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.216 -0.210 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.291 -0.069 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.788 -1.237 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.672 -2.118 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.367 -3.303 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.863 -3.417 -1.969 1.00 0.00 H new ATOM 729 N ALA A 46 -5.398 -1.570 1.952 1.00 0.00 N ATOM 730 CA ALA A 46 -6.542 -0.861 2.490 1.00 0.00 C ATOM 731 C ALA A 46 -6.019 0.250 3.395 1.00 0.00 C ATOM 732 O ALA A 46 -6.486 1.385 3.362 1.00 0.00 O ATOM 733 CB ALA A 46 -7.400 -1.871 3.273 1.00 0.00 C ATOM 0 H ALA A 46 -5.419 -2.582 2.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.157 -0.415 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.270 -1.363 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.730 -2.665 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.809 -2.301 4.082 1.00 0.00 H new ATOM 739 N GLU A 47 -4.986 -0.086 4.170 1.00 0.00 N ATOM 740 CA GLU A 47 -4.445 0.902 5.107 1.00 0.00 C ATOM 741 C GLU A 47 -3.807 2.087 4.396 1.00 0.00 C ATOM 742 O GLU A 47 -4.119 3.243 4.681 1.00 0.00 O ATOM 743 CB GLU A 47 -3.467 0.284 6.134 1.00 0.00 C ATOM 744 CG GLU A 47 -4.086 -0.810 7.053 1.00 0.00 C ATOM 745 CD GLU A 47 -5.525 -0.533 7.460 1.00 0.00 C ATOM 746 OE1 GLU A 47 -5.818 0.529 8.009 1.00 0.00 O ATOM 747 OE2 GLU A 47 -6.385 -1.379 7.205 1.00 0.00 O ATOM 0 H GLU A 47 -4.523 -0.995 4.172 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.304 1.274 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.624 -0.149 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.069 1.082 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.043 -1.770 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.476 -0.903 7.952 1.00 0.00 H new ATOM 754 N ALA A 48 -2.899 1.846 3.459 1.00 0.00 N ATOM 755 CA ALA A 48 -2.283 2.928 2.700 1.00 0.00 C ATOM 756 C ALA A 48 -3.317 3.787 1.977 1.00 0.00 C ATOM 757 O ALA A 48 -3.187 5.008 1.893 1.00 0.00 O ATOM 758 CB ALA A 48 -1.321 2.301 1.693 1.00 0.00 C ATOM 0 H ALA A 48 -2.573 0.913 3.206 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.756 3.590 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.843 3.087 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.560 1.730 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.873 1.638 1.027 1.00 0.00 H new ATOM 764 N LYS A 49 -4.358 3.158 1.437 1.00 0.00 N ATOM 765 CA LYS A 49 -5.425 3.891 0.779 1.00 0.00 C ATOM 766 C LYS A 49 -6.167 4.757 1.811 1.00 0.00 C ATOM 767 O LYS A 49 -6.421 5.941 1.599 1.00 0.00 O ATOM 768 CB LYS A 49 -6.314 2.845 0.083 1.00 0.00 C ATOM 769 CG LYS A 49 -7.264 3.439 -0.969 1.00 0.00 C ATOM 770 CD LYS A 49 -8.505 4.110 -0.354 1.00 0.00 C ATOM 771 CE LYS A 49 -9.472 4.605 -1.440 1.00 0.00 C ATOM 772 NZ LYS A 49 -8.828 5.678 -2.176 1.00 0.00 N ATOM 0 H LYS A 49 -4.481 2.145 1.444 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.060 4.588 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.677 2.101 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.903 2.323 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.722 4.171 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.585 2.648 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.018 3.402 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.195 4.949 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.736 3.789 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.399 4.958 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.546 6.358 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.145 6.161 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.331 5.284 -3.000 1.00 0.00 H new ATOM 786 N LYS A 50 -6.492 4.206 2.982 1.00 0.00 N ATOM 787 CA LYS A 50 -7.227 4.917 4.025 1.00 0.00 C ATOM 788 C LYS A 50 -6.420 6.131 4.454 1.00 0.00 C ATOM 789 O LYS A 50 -6.929 7.234 4.666 1.00 0.00 O ATOM 790 CB LYS A 50 -7.472 3.941 5.197 1.00 0.00 C ATOM 791 CG LYS A 50 -8.594 2.933 4.859 1.00 0.00 C ATOM 792 CD LYS A 50 -8.504 1.622 5.664 1.00 0.00 C ATOM 793 CE LYS A 50 -8.488 1.831 7.178 1.00 0.00 C ATOM 794 NZ LYS A 50 -8.448 0.534 7.837 1.00 0.00 N ATOM 0 H LYS A 50 -6.250 3.247 3.233 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.193 5.270 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.552 3.403 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.741 4.503 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.561 3.400 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.554 2.700 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.350 0.987 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.601 1.087 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.622 2.426 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.373 2.385 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.269 0.440 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.474 -0.220 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.573 0.454 8.393 1.00 0.00 H new ATOM 808 N LEU A 51 -5.109 5.910 4.567 1.00 0.00 N ATOM 809 CA LEU A 51 -4.207 6.987 4.916 1.00 0.00 C ATOM 810 C LEU A 51 -4.166 8.040 3.818 1.00 0.00 C ATOM 811 O LEU A 51 -4.329 9.226 4.072 1.00 0.00 O ATOM 812 CB LEU A 51 -2.798 6.447 5.183 1.00 0.00 C ATOM 813 CG LEU A 51 -2.681 5.804 6.568 1.00 0.00 C ATOM 814 CD1 LEU A 51 -1.339 5.088 6.690 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.770 6.869 7.672 1.00 0.00 C ATOM 0 H LEU A 51 -4.661 5.005 4.422 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.581 7.454 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.541 5.712 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.077 7.260 5.099 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.501 5.095 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.259 4.631 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.268 4.314 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.530 5.806 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.685 6.390 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.961 7.589 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.728 7.385 7.604 1.00 0.00 H new ATOM 827 N ASN A 52 -3.945 7.642 2.565 1.00 0.00 N ATOM 828 CA ASN A 52 -3.910 8.532 1.410 1.00 0.00 C ATOM 829 C ASN A 52 -5.095 9.487 1.422 1.00 0.00 C ATOM 830 O ASN A 52 -4.994 10.704 1.295 1.00 0.00 O ATOM 831 CB ASN A 52 -3.912 7.624 0.160 1.00 0.00 C ATOM 832 CG ASN A 52 -3.919 8.404 -1.145 1.00 0.00 C ATOM 833 OD1 ASN A 52 -2.919 8.611 -1.828 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.096 8.861 -1.525 1.00 0.00 N ATOM 0 H ASN A 52 -3.781 6.665 2.321 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.021 9.163 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.034 6.979 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.786 6.974 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.182 9.391 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.921 8.684 -0.952 1.00 0.00 H new ATOM 841 N ASP A 53 -6.238 8.846 1.611 1.00 0.00 N ATOM 842 CA ASP A 53 -7.518 9.527 1.709 1.00 0.00 C ATOM 843 C ASP A 53 -7.556 10.468 2.919 1.00 0.00 C ATOM 844 O ASP A 53 -7.970 11.619 2.806 1.00 0.00 O ATOM 845 CB ASP A 53 -8.592 8.424 1.684 1.00 0.00 C ATOM 846 CG ASP A 53 -8.653 7.733 0.321 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.642 7.578 -0.373 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.733 7.319 -0.079 1.00 0.00 O ATOM 0 H ASP A 53 -6.303 7.832 1.701 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.705 10.203 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.376 7.687 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.565 8.856 1.918 1.00 0.00 H new ATOM 853 N ALA A 54 -7.130 10.040 4.112 1.00 0.00 N ATOM 854 CA ALA A 54 -7.084 10.915 5.282 1.00 0.00 C ATOM 855 C ALA A 54 -6.233 12.167 4.996 1.00 0.00 C ATOM 856 O ALA A 54 -6.559 13.287 5.394 1.00 0.00 O ATOM 857 CB ALA A 54 -6.515 10.113 6.463 1.00 0.00 C ATOM 0 H ALA A 54 -6.811 9.088 4.290 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.088 11.262 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.472 10.749 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.157 9.255 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.512 9.766 6.217 1.00 0.00 H new ATOM 863 N GLN A 55 -5.123 11.948 4.284 1.00 0.00 N ATOM 864 CA GLN A 55 -4.202 12.995 3.852 1.00 0.00 C ATOM 865 C GLN A 55 -4.743 13.818 2.675 1.00 0.00 C ATOM 866 O GLN A 55 -4.132 14.804 2.261 1.00 0.00 O ATOM 867 CB GLN A 55 -2.873 12.362 3.414 1.00 0.00 C ATOM 868 CG GLN A 55 -2.154 11.475 4.461 1.00 0.00 C ATOM 869 CD GLN A 55 -1.064 10.654 3.825 1.00 0.00 C ATOM 870 OE1 GLN A 55 0.087 11.021 3.636 1.00 0.00 O ATOM 871 NE2 GLN A 55 -1.504 9.457 3.509 1.00 0.00 N ATOM 0 H GLN A 55 -4.837 11.015 3.987 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.069 13.663 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.058 11.759 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.194 13.162 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.729 12.104 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.877 10.815 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.476 9.207 3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.874 8.778 3.082 1.00 0.00 H new ATOM 880 N ALA A 56 -5.892 13.451 2.099 1.00 0.00 N ATOM 881 CA ALA A 56 -6.451 14.144 0.948 1.00 0.00 C ATOM 882 C ALA A 56 -6.855 15.591 1.242 1.00 0.00 C ATOM 883 O ALA A 56 -7.137 15.948 2.390 1.00 0.00 O ATOM 884 CB ALA A 56 -7.684 13.356 0.461 1.00 0.00 C ATOM 0 H ALA A 56 -6.456 12.665 2.422 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.674 14.192 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.119 13.859 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.383 12.347 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.422 13.305 1.261 1.00 0.00 H new ATOM 890 N PRO A 57 -6.901 16.460 0.220 1.00 0.00 N ATOM 891 CA PRO A 57 -7.314 17.864 0.350 1.00 0.00 C ATOM 892 C PRO A 57 -8.821 18.060 0.584 1.00 0.00 C ATOM 893 O PRO A 57 -9.577 18.577 -0.236 1.00 0.00 O ATOM 894 CB PRO A 57 -6.801 18.482 -0.957 1.00 0.00 C ATOM 895 CG PRO A 57 -6.963 17.337 -1.937 1.00 0.00 C ATOM 896 CD PRO A 57 -6.458 16.143 -1.136 1.00 0.00 C ATOM 0 HA PRO A 57 -6.903 18.343 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.384 19.355 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.763 18.804 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.001 17.210 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.379 17.493 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.884 15.206 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.374 16.044 -1.196 1.00 0.00 H new ATOM 904 N LYS A 58 -9.238 17.602 1.756 1.00 0.00 N ATOM 905 CA LYS A 58 -10.598 17.685 2.268 1.00 0.00 C ATOM 906 C LYS A 58 -10.631 17.757 3.802 1.00 0.00 C ATOM 907 O LYS A 58 -9.656 17.384 4.461 1.00 0.00 O ATOM 908 CB LYS A 58 -11.392 16.463 1.730 1.00 0.00 C ATOM 909 CG LYS A 58 -10.742 15.103 2.062 1.00 0.00 C ATOM 910 CD LYS A 58 -11.061 14.622 3.494 1.00 0.00 C ATOM 911 CE LYS A 58 -9.900 13.849 4.127 1.00 0.00 C ATOM 912 NZ LYS A 58 -8.775 14.744 4.360 1.00 0.00 N ATOM 913 OXT LYS A 58 -11.656 18.161 4.343 1.00 0.00 O ATOM 0 H LYS A 58 -8.605 17.139 2.408 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.063 18.607 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.400 16.485 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.491 16.553 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.087 14.356 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.662 15.183 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.302 15.483 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.946 13.987 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.220 13.401 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.596 13.032 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.142 14.328 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.253 14.883 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.126 15.661 4.703 1.00 0.00 H new TER 927 LYS A 58