USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 57 TYR OH : rot 92:sc= 1.18 USER MOD Set 1.2: A 61 HIS : no HE2:sc= -6.51! C(o=-5.3!,f=-16!) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.752 K(o=-4.3,f=-8.2!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 178:sc= -3.55! (180deg=-3.8!) USER MOD Set 3.1: A 6 THR OG1 : rot -110:sc= 0.164 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.46 K(o=0.62,f=-0.063) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.229 (180deg=-1.23) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.186 (180deg=-0.638) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= -1.16 (180deg=-3.16!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 26 GLN : amide:sc= -1.05 K(o=-1.1,f=-2!) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.11 F(o=-4.9!,f=-1.1) USER MOD Single : A 36 HIS : no HE2:sc=-0.00922 K(o=-0.0092,f=-1.5) USER MOD Single : A 37 GLN : amide:sc= -0.219 K(o=-0.22,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.0595 (180deg=-1.11) USER MOD Single : A 43 GLN : amide:sc= 0.727 K(o=0.73,f=0) USER MOD Single : A 47 SER OG : rot 78:sc= -2.46! USER MOD Single : A 51 ASN : amide:sc= -3.1! C(o=-3.1!,f=-5.6!) USER MOD Single : A 52 LYS NZ :NH3+ -103:sc= 1.44 (180deg=-1.33) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc=-0.00963 (180deg=-0.192) USER MOD Single : A 63 THR OG1 : rot 12:sc= 0.194! USER MOD Single : A 64 SER OG : rot 180:sc= -0.184 USER MOD Single : A 67 ASN : amide:sc= -2.34! C(o=-2.3!,f=-13!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 71 THR OG1 : rot 85:sc= 0.714 USER MOD Single : A 72 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.4) USER MOD Single : A 76 GLN : amide:sc= -3.49! C(o=-3.5!,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot -103:sc= 0.426 USER MOD Single : A 79 SER OG : rot 99:sc= 1.22 USER MOD Single : A 85 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-3.7) USER MOD Single : A 86 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-6.2!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.35! C(o=-4.3!,f=-2.3!) USER MOD Single : A 88 HIS : no HD1:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.911 3.955 19.924 1.00 0.00 N ATOM 2 CA MET A 1 -9.650 5.264 19.263 1.00 0.00 C ATOM 3 C MET A 1 -8.189 5.651 19.470 1.00 0.00 C ATOM 4 O MET A 1 -7.888 6.744 19.950 1.00 0.00 O ATOM 5 CB MET A 1 -10.565 6.328 19.878 1.00 0.00 C ATOM 6 CG MET A 1 -12.031 5.980 19.597 1.00 0.00 C ATOM 7 SD MET A 1 -12.345 6.023 17.813 1.00 0.00 S ATOM 8 CE MET A 1 -12.092 7.799 17.567 1.00 0.00 C ATOM 0 H1 MET A 1 -10.403 3.323 19.261 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.008 3.523 20.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.504 4.103 20.765 1.00 0.00 H new ATOM 0 HA MET A 1 -9.852 5.189 18.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.396 6.388 20.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.329 7.308 19.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.261 4.990 19.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.686 6.686 20.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.846 8.182 16.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.178 8.315 18.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.100 7.971 17.150 1.00 0.00 H new ATOM 20 N GLY A 2 -7.288 4.748 19.101 1.00 0.00 N ATOM 21 CA GLY A 2 -5.861 5.005 19.247 1.00 0.00 C ATOM 22 C GLY A 2 -5.052 3.735 19.012 1.00 0.00 C ATOM 23 O GLY A 2 -4.868 3.306 17.872 1.00 0.00 O ATOM 0 H GLY A 2 -7.518 3.838 18.701 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.552 5.774 18.539 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.657 5.391 20.246 1.00 0.00 H new ATOM 27 N GLN A 3 -4.572 3.137 20.097 1.00 0.00 N ATOM 28 CA GLN A 3 -3.783 1.916 19.998 1.00 0.00 C ATOM 29 C GLN A 3 -4.617 0.788 19.401 1.00 0.00 C ATOM 30 O GLN A 3 -4.100 -0.068 18.686 1.00 0.00 O ATOM 31 CB GLN A 3 -3.280 1.501 21.382 1.00 0.00 C ATOM 32 CG GLN A 3 -2.252 2.519 21.878 1.00 0.00 C ATOM 33 CD GLN A 3 -1.768 2.133 23.271 1.00 0.00 C ATOM 34 OE1 GLN A 3 -2.153 1.090 23.797 1.00 0.00 O ATOM 35 NE2 GLN A 3 -0.939 2.919 23.904 1.00 0.00 N ATOM 0 H GLN A 3 -4.714 3.475 21.049 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.931 2.110 19.346 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.114 1.441 22.081 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.831 0.509 21.335 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.408 2.561 21.189 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.695 3.515 21.901 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.621 3.784 23.466 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.610 2.668 24.836 1.00 0.00 H new ATOM 44 N ILE A 4 -5.914 0.793 19.698 1.00 0.00 N ATOM 45 CA ILE A 4 -6.813 -0.239 19.183 1.00 0.00 C ATOM 46 C ILE A 4 -7.343 0.150 17.806 1.00 0.00 C ATOM 47 O ILE A 4 -7.804 1.274 17.603 1.00 0.00 O ATOM 48 CB ILE A 4 -7.978 -0.433 20.140 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.453 -0.945 21.486 1.00 0.00 C ATOM 50 CG2 ILE A 4 -8.959 -1.452 19.556 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.564 -0.857 22.535 1.00 0.00 C ATOM 0 H ILE A 4 -6.364 1.493 20.287 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.255 -1.171 19.094 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.489 0.519 20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.113 -1.976 21.387 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.593 -0.354 21.801 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.793 -1.589 20.244 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.334 -1.089 18.599 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.450 -2.404 19.409 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.190 -1.221 23.492 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.883 0.180 22.641 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.411 -1.467 22.220 1.00 0.00 H new ATOM 63 N PHE A 5 -7.269 -0.784 16.862 1.00 0.00 N ATOM 64 CA PHE A 5 -7.738 -0.520 15.509 1.00 0.00 C ATOM 65 C PHE A 5 -9.252 -0.351 15.495 1.00 0.00 C ATOM 66 O PHE A 5 -9.978 -1.120 16.124 1.00 0.00 O ATOM 67 CB PHE A 5 -7.341 -1.678 14.585 1.00 0.00 C ATOM 68 CG PHE A 5 -5.861 -1.612 14.292 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.390 -0.779 13.271 1.00 0.00 C ATOM 70 CD2 PHE A 5 -4.961 -2.380 15.040 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.019 -0.715 12.998 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.591 -2.316 14.767 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.119 -1.483 13.746 1.00 0.00 C ATOM 0 H PHE A 5 -6.892 -1.721 17.008 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.277 0.402 15.154 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.586 -2.631 15.054 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.908 -1.625 13.656 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.084 -0.186 12.694 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.325 -3.022 15.828 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.655 -0.073 12.210 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.897 -2.909 15.344 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.061 -1.433 13.535 1.00 0.00 H new ATOM 83 N THR A 6 -9.721 0.660 14.772 1.00 0.00 N ATOM 84 CA THR A 6 -11.150 0.924 14.681 1.00 0.00 C ATOM 85 C THR A 6 -11.805 -0.025 13.685 1.00 0.00 C ATOM 86 O THR A 6 -11.129 -0.659 12.876 1.00 0.00 O ATOM 87 CB THR A 6 -11.387 2.376 14.245 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.501 2.700 13.183 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.145 3.318 15.425 1.00 0.00 C ATOM 0 H THR A 6 -9.135 1.306 14.243 1.00 0.00 H new ATOM 0 HA THR A 6 -11.595 0.765 15.663 1.00 0.00 H new ATOM 0 HB THR A 6 -12.417 2.488 13.906 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.828 3.337 13.501 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.315 4.347 15.110 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.830 3.069 16.236 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.117 3.210 15.772 1.00 0.00 H new ATOM 97 N VAL A 7 -13.126 -0.116 13.756 1.00 0.00 N ATOM 98 CA VAL A 7 -13.868 -0.988 12.858 1.00 0.00 C ATOM 99 C VAL A 7 -13.675 -0.561 11.408 1.00 0.00 C ATOM 100 O VAL A 7 -13.410 -1.388 10.542 1.00 0.00 O ATOM 101 CB VAL A 7 -15.361 -0.952 13.211 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.860 0.499 13.215 1.00 0.00 C ATOM 103 CG2 VAL A 7 -16.153 -1.760 12.169 1.00 0.00 C ATOM 0 H VAL A 7 -13.702 0.400 14.421 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.490 -2.004 12.975 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.506 -1.386 14.200 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.920 0.518 13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.302 1.074 13.954 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.713 0.937 12.228 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.214 -1.735 12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.003 -1.325 11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.805 -2.793 12.168 1.00 0.00 H new ATOM 113 N GLN A 8 -13.805 0.733 11.153 1.00 0.00 N ATOM 114 CA GLN A 8 -13.653 1.254 9.798 1.00 0.00 C ATOM 115 C GLN A 8 -12.393 0.685 9.149 1.00 0.00 C ATOM 116 O GLN A 8 -12.436 0.187 8.022 1.00 0.00 O ATOM 117 CB GLN A 8 -13.573 2.796 9.840 1.00 0.00 C ATOM 118 CG GLN A 8 -12.959 3.233 11.172 1.00 0.00 C ATOM 119 CD GLN A 8 -12.518 4.691 11.092 1.00 0.00 C ATOM 120 OE1 GLN A 8 -13.002 5.439 10.245 1.00 0.00 O ATOM 121 NE2 GLN A 8 -11.621 5.139 11.928 1.00 0.00 N ATOM 0 H GLN A 8 -14.014 1.439 11.859 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.517 0.954 9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.969 3.163 9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.568 3.227 9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.686 3.108 11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.106 2.599 11.413 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.221 4.516 12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.320 6.112 11.880 1.00 0.00 H new ATOM 130 N GLU A 9 -11.281 0.752 9.866 1.00 0.00 N ATOM 131 CA GLU A 9 -10.024 0.237 9.348 1.00 0.00 C ATOM 132 C GLU A 9 -10.075 -1.281 9.255 1.00 0.00 C ATOM 133 O GLU A 9 -9.508 -1.880 8.341 1.00 0.00 O ATOM 134 CB GLU A 9 -8.869 0.666 10.253 1.00 0.00 C ATOM 135 CG GLU A 9 -8.680 2.182 10.153 1.00 0.00 C ATOM 136 CD GLU A 9 -7.575 2.632 11.102 1.00 0.00 C ATOM 137 OE1 GLU A 9 -7.000 1.779 11.756 1.00 0.00 O ATOM 138 OE2 GLU A 9 -7.319 3.824 11.159 1.00 0.00 O ATOM 0 H GLU A 9 -11.224 1.155 10.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.864 0.645 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.076 0.382 11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.953 0.154 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.427 2.459 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.612 2.690 10.400 1.00 0.00 H new ATOM 145 N LEU A 10 -10.753 -1.894 10.214 1.00 0.00 N ATOM 146 CA LEU A 10 -10.873 -3.344 10.244 1.00 0.00 C ATOM 147 C LEU A 10 -11.667 -3.844 9.045 1.00 0.00 C ATOM 148 O LEU A 10 -11.393 -4.915 8.509 1.00 0.00 O ATOM 149 CB LEU A 10 -11.558 -3.797 11.539 1.00 0.00 C ATOM 150 CG LEU A 10 -11.234 -5.283 11.817 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.919 -5.394 12.605 1.00 0.00 C ATOM 152 CD2 LEU A 10 -12.365 -5.917 12.632 1.00 0.00 C ATOM 0 H LEU A 10 -11.226 -1.413 10.978 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.869 -3.766 10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.222 -3.181 12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.636 -3.661 11.457 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.132 -5.805 10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.697 -6.444 12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.109 -4.952 12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.017 -4.865 13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.132 -6.964 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.471 -5.388 13.579 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.298 -5.850 12.073 1.00 0.00 H new ATOM 164 N LYS A 11 -12.663 -3.066 8.641 1.00 0.00 N ATOM 165 CA LYS A 11 -13.500 -3.445 7.514 1.00 0.00 C ATOM 166 C LYS A 11 -12.666 -3.606 6.249 1.00 0.00 C ATOM 167 O LYS A 11 -12.876 -4.538 5.475 1.00 0.00 O ATOM 168 CB LYS A 11 -14.570 -2.379 7.280 1.00 0.00 C ATOM 169 CG LYS A 11 -15.605 -2.429 8.404 1.00 0.00 C ATOM 170 CD LYS A 11 -16.635 -1.314 8.199 1.00 0.00 C ATOM 171 CE LYS A 11 -17.449 -1.562 6.917 1.00 0.00 C ATOM 172 NZ LYS A 11 -16.739 -0.944 5.762 1.00 0.00 N ATOM 0 H LYS A 11 -12.908 -2.176 9.074 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.973 -4.399 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.110 -1.392 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.056 -2.543 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.101 -3.400 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.114 -2.312 9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.304 -1.266 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.129 -0.351 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.575 -2.632 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.447 -1.136 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.370 -0.265 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.890 -0.449 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.461 -1.686 5.088 1.00 0.00 H new ATOM 186 N GLU A 12 -11.724 -2.693 6.043 1.00 0.00 N ATOM 187 CA GLU A 12 -10.873 -2.751 4.861 1.00 0.00 C ATOM 188 C GLU A 12 -10.052 -4.040 4.850 1.00 0.00 C ATOM 189 O GLU A 12 -10.059 -4.781 3.867 1.00 0.00 O ATOM 190 CB GLU A 12 -9.926 -1.547 4.847 1.00 0.00 C ATOM 191 CG GLU A 12 -9.197 -1.475 3.503 1.00 0.00 C ATOM 192 CD GLU A 12 -10.177 -1.075 2.406 1.00 0.00 C ATOM 193 OE1 GLU A 12 -11.298 -0.725 2.739 1.00 0.00 O ATOM 194 OE2 GLU A 12 -9.792 -1.119 1.249 1.00 0.00 O ATOM 0 H GLU A 12 -11.531 -1.913 6.671 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.509 -2.731 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.488 -0.629 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.203 -1.632 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.383 -0.752 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.749 -2.441 3.269 1.00 0.00 H new ATOM 201 N ARG A 13 -9.347 -4.301 5.946 1.00 0.00 N ATOM 202 CA ARG A 13 -8.524 -5.502 6.044 1.00 0.00 C ATOM 203 C ARG A 13 -9.399 -6.749 6.141 1.00 0.00 C ATOM 204 O ARG A 13 -9.082 -7.790 5.566 1.00 0.00 O ATOM 205 CB ARG A 13 -7.618 -5.413 7.274 1.00 0.00 C ATOM 206 CG ARG A 13 -6.574 -4.315 7.060 1.00 0.00 C ATOM 207 CD ARG A 13 -5.686 -4.207 8.300 1.00 0.00 C ATOM 208 NE ARG A 13 -6.461 -3.722 9.435 1.00 0.00 N ATOM 209 CZ ARG A 13 -5.907 -3.574 10.634 1.00 0.00 C ATOM 210 NH1 ARG A 13 -4.648 -3.864 10.811 1.00 0.00 N ATOM 211 NH2 ARG A 13 -6.622 -3.138 11.635 1.00 0.00 N ATOM 0 H ARG A 13 -9.328 -3.703 6.772 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.912 -5.574 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.212 -5.197 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.125 -6.370 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.967 -4.542 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.067 -3.362 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.256 -5.181 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.854 -3.530 8.103 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.446 -3.492 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.088 -4.204 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.223 -3.750 11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.607 -2.911 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.196 -3.025 12.555 1.00 0.00 H new ATOM 225 N ALA A 14 -10.497 -6.630 6.877 1.00 0.00 N ATOM 226 CA ALA A 14 -11.417 -7.747 7.053 1.00 0.00 C ATOM 227 C ALA A 14 -12.230 -7.979 5.785 1.00 0.00 C ATOM 228 O ALA A 14 -12.943 -8.976 5.667 1.00 0.00 O ATOM 229 CB ALA A 14 -12.362 -7.474 8.223 1.00 0.00 C ATOM 0 H ALA A 14 -10.772 -5.775 7.360 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.830 -8.641 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.044 -8.316 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.782 -7.343 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.935 -6.568 8.024 1.00 0.00 H new ATOM 235 N LYS A 15 -12.126 -7.047 4.845 1.00 0.00 N ATOM 236 CA LYS A 15 -12.867 -7.158 3.598 1.00 0.00 C ATOM 237 C LYS A 15 -12.541 -8.457 2.886 1.00 0.00 C ATOM 238 O LYS A 15 -13.449 -9.153 2.439 1.00 0.00 O ATOM 239 CB LYS A 15 -12.521 -5.992 2.680 1.00 0.00 C ATOM 240 CG LYS A 15 -13.393 -6.054 1.422 1.00 0.00 C ATOM 241 CD LYS A 15 -13.171 -4.793 0.576 1.00 0.00 C ATOM 242 CE LYS A 15 -11.802 -4.849 -0.116 1.00 0.00 C ATOM 243 NZ LYS A 15 -11.739 -3.802 -1.172 1.00 0.00 N ATOM 0 H LYS A 15 -11.542 -6.215 4.922 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.930 -7.141 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.680 -5.047 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.467 -6.031 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.146 -6.942 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.444 -6.137 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.960 -4.704 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.230 -3.907 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.007 -4.694 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.644 -5.834 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.812 -3.838 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.489 -3.970 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.872 -2.865 -0.740 1.00 0.00 H new ATOM 257 N VAL A 16 -11.249 -8.778 2.796 1.00 0.00 N ATOM 258 CA VAL A 16 -10.806 -10.013 2.140 1.00 0.00 C ATOM 259 C VAL A 16 -11.574 -10.256 0.837 1.00 0.00 C ATOM 260 O VAL A 16 -12.422 -9.460 0.435 1.00 0.00 O ATOM 261 CB VAL A 16 -10.987 -11.214 3.104 1.00 0.00 C ATOM 262 CG1 VAL A 16 -12.482 -11.485 3.394 1.00 0.00 C ATOM 263 CG2 VAL A 16 -10.339 -12.491 2.514 1.00 0.00 C ATOM 0 H VAL A 16 -10.492 -8.203 3.167 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.750 -9.908 1.890 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.492 -10.955 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.573 -12.333 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.929 -10.603 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.999 -11.710 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.477 -13.322 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.810 -12.731 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.274 -12.320 2.360 1.00 0.00 H new ATOM 273 N PHE A 17 -11.285 -11.373 0.188 1.00 0.00 N ATOM 274 CA PHE A 17 -11.977 -11.718 -1.040 1.00 0.00 C ATOM 275 C PHE A 17 -13.428 -12.087 -0.729 1.00 0.00 C ATOM 276 O PHE A 17 -13.695 -12.878 0.178 1.00 0.00 O ATOM 277 CB PHE A 17 -11.285 -12.903 -1.709 1.00 0.00 C ATOM 278 CG PHE A 17 -12.075 -13.323 -2.924 1.00 0.00 C ATOM 279 CD1 PHE A 17 -12.017 -12.555 -4.091 1.00 0.00 C ATOM 280 CD2 PHE A 17 -12.869 -14.478 -2.883 1.00 0.00 C ATOM 281 CE1 PHE A 17 -12.749 -12.940 -5.220 1.00 0.00 C ATOM 282 CE2 PHE A 17 -13.601 -14.863 -4.013 1.00 0.00 C ATOM 283 CZ PHE A 17 -13.541 -14.094 -5.180 1.00 0.00 C ATOM 0 H PHE A 17 -10.583 -12.049 0.489 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.956 -10.860 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.270 -12.630 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.204 -13.734 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.407 -11.664 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.916 -15.070 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.703 -12.347 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.212 -15.753 -3.984 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.106 -14.391 -6.051 1.00 0.00 H new ATOM 293 N ALA A 18 -14.354 -11.512 -1.490 1.00 0.00 N ATOM 294 CA ALA A 18 -15.776 -11.787 -1.303 1.00 0.00 C ATOM 295 C ALA A 18 -16.273 -11.170 -0.014 1.00 0.00 C ATOM 296 O ALA A 18 -15.481 -10.756 0.835 1.00 0.00 O ATOM 297 CB ALA A 18 -16.030 -13.300 -1.289 1.00 0.00 C ATOM 0 H ALA A 18 -14.147 -10.854 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.321 -11.344 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.094 -13.489 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.706 -13.732 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.470 -13.755 -0.472 1.00 0.00 H new ATOM 303 N LYS A 19 -17.594 -11.107 0.140 1.00 0.00 N ATOM 304 CA LYS A 19 -18.167 -10.534 1.349 1.00 0.00 C ATOM 305 C LYS A 19 -18.574 -11.647 2.332 1.00 0.00 C ATOM 306 O LYS A 19 -19.496 -12.414 2.051 1.00 0.00 O ATOM 307 CB LYS A 19 -19.401 -9.694 1.005 1.00 0.00 C ATOM 308 CG LYS A 19 -19.757 -8.788 2.209 1.00 0.00 C ATOM 309 CD LYS A 19 -18.970 -7.467 2.132 1.00 0.00 C ATOM 310 CE LYS A 19 -18.989 -6.773 3.493 1.00 0.00 C ATOM 311 NZ LYS A 19 -18.329 -5.442 3.374 1.00 0.00 N ATOM 0 H LYS A 19 -18.274 -11.439 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.412 -9.900 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.206 -9.085 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.242 -10.344 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.827 -8.582 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.527 -9.303 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.942 -7.663 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.408 -6.816 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.016 -6.653 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.472 -7.384 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.339 -4.965 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.345 -5.569 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.841 -4.861 2.679 1.00 0.00 H new ATOM 325 N PRO A 20 -17.932 -11.741 3.478 1.00 0.00 N ATOM 326 CA PRO A 20 -18.272 -12.774 4.506 1.00 0.00 C ATOM 327 C PRO A 20 -19.756 -12.760 4.882 1.00 0.00 C ATOM 328 O PRO A 20 -20.395 -11.709 4.887 1.00 0.00 O ATOM 329 CB PRO A 20 -17.398 -12.389 5.719 1.00 0.00 C ATOM 330 CG PRO A 20 -16.263 -11.593 5.157 1.00 0.00 C ATOM 331 CD PRO A 20 -16.800 -10.900 3.908 1.00 0.00 C ATOM 0 HA PRO A 20 -18.085 -13.783 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.966 -11.805 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.036 -13.276 6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.904 -10.863 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.420 -12.239 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.122 -9.882 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.037 -10.833 3.132 1.00 0.00 H new ATOM 339 N ILE A 21 -20.291 -13.936 5.194 1.00 0.00 N ATOM 340 CA ILE A 21 -21.693 -14.048 5.571 1.00 0.00 C ATOM 341 C ILE A 21 -22.032 -13.038 6.661 1.00 0.00 C ATOM 342 O ILE A 21 -21.269 -12.851 7.606 1.00 0.00 O ATOM 343 CB ILE A 21 -21.986 -15.462 6.074 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.484 -15.600 6.357 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.200 -15.721 7.361 1.00 0.00 C ATOM 346 CD1 ILE A 21 -23.835 -17.077 6.544 1.00 0.00 C ATOM 0 H ILE A 21 -19.779 -14.818 5.193 1.00 0.00 H new ATOM 0 HA ILE A 21 -22.306 -13.841 4.694 1.00 0.00 H new ATOM 0 HB ILE A 21 -21.689 -16.186 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.749 -15.036 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.061 -15.180 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -21.410 -16.729 7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -20.133 -15.621 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.497 -14.998 8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -24.902 -17.175 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -23.585 -17.628 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -23.269 -17.482 7.383 1.00 0.00 H new ATOM 358 N GLY A 22 -23.183 -12.389 6.518 1.00 0.00 N ATOM 359 CA GLY A 22 -23.614 -11.394 7.494 1.00 0.00 C ATOM 360 C GLY A 22 -24.121 -12.065 8.764 1.00 0.00 C ATOM 361 O GLY A 22 -24.093 -13.289 8.880 1.00 0.00 O ATOM 0 H GLY A 22 -23.830 -12.532 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.783 -10.731 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.402 -10.775 7.065 1.00 0.00 H new ATOM 365 N ALA A 23 -24.581 -11.256 9.713 1.00 0.00 N ATOM 366 CA ALA A 23 -25.093 -11.782 10.975 1.00 0.00 C ATOM 367 C ALA A 23 -23.943 -12.238 11.870 1.00 0.00 C ATOM 368 O ALA A 23 -23.677 -11.642 12.914 1.00 0.00 O ATOM 369 CB ALA A 23 -26.053 -12.954 10.707 1.00 0.00 C ATOM 0 H ALA A 23 -24.610 -10.239 9.634 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.637 -10.989 11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -26.430 -13.340 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.888 -12.608 10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.522 -13.746 10.178 1.00 0.00 H new ATOM 375 N SER A 24 -23.267 -13.300 11.448 1.00 0.00 N ATOM 376 CA SER A 24 -22.148 -13.838 12.211 1.00 0.00 C ATOM 377 C SER A 24 -20.927 -12.936 12.079 1.00 0.00 C ATOM 378 O SER A 24 -20.187 -12.732 13.041 1.00 0.00 O ATOM 379 CB SER A 24 -21.805 -15.243 11.719 1.00 0.00 C ATOM 380 OG SER A 24 -20.818 -15.810 12.571 1.00 0.00 O ATOM 0 H SER A 24 -23.473 -13.804 10.585 1.00 0.00 H new ATOM 0 HA SER A 24 -22.438 -13.885 13.261 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.699 -15.867 11.713 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.437 -15.202 10.694 1.00 0.00 H new ATOM 0 HG SER A 24 -20.596 -16.712 12.260 1.00 0.00 H new ATOM 386 N TYR A 25 -20.722 -12.400 10.881 1.00 0.00 N ATOM 387 CA TYR A 25 -19.587 -11.518 10.634 1.00 0.00 C ATOM 388 C TYR A 25 -19.829 -10.146 11.255 1.00 0.00 C ATOM 389 O TYR A 25 -18.891 -9.403 11.525 1.00 0.00 O ATOM 390 CB TYR A 25 -19.361 -11.367 9.128 1.00 0.00 C ATOM 391 CG TYR A 25 -18.243 -10.379 8.881 1.00 0.00 C ATOM 392 CD1 TYR A 25 -16.910 -10.770 9.056 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.542 -9.071 8.479 1.00 0.00 C ATOM 394 CE1 TYR A 25 -15.877 -9.853 8.830 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.510 -8.156 8.253 1.00 0.00 C ATOM 396 CZ TYR A 25 -16.178 -8.545 8.427 1.00 0.00 C ATOM 397 OH TYR A 25 -15.162 -7.640 8.205 1.00 0.00 O ATOM 0 H TYR A 25 -21.322 -12.559 10.071 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.702 -11.959 11.091 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.111 -12.333 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.276 -11.025 8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.679 -11.779 9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.570 -8.769 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.849 -10.153 8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.741 -7.147 7.944 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.544 -6.780 7.930 1.00 0.00 H new ATOM 407 N GLN A 26 -21.095 -9.815 11.473 1.00 0.00 N ATOM 408 CA GLN A 26 -21.441 -8.526 12.059 1.00 0.00 C ATOM 409 C GLN A 26 -20.942 -8.435 13.497 1.00 0.00 C ATOM 410 O GLN A 26 -20.600 -7.357 13.979 1.00 0.00 O ATOM 411 CB GLN A 26 -22.958 -8.327 12.030 1.00 0.00 C ATOM 412 CG GLN A 26 -23.304 -6.899 12.467 1.00 0.00 C ATOM 413 CD GLN A 26 -22.795 -5.899 11.434 1.00 0.00 C ATOM 414 OE1 GLN A 26 -22.002 -5.016 11.761 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.204 -5.988 10.198 1.00 0.00 N ATOM 0 H GLN A 26 -21.892 -10.414 11.256 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.961 -7.744 11.471 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.339 -8.512 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.441 -9.046 12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -24.383 -6.797 12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.858 -6.689 13.439 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.861 -6.721 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.867 -5.325 9.500 1.00 0.00 H new ATOM 424 N GLY A 27 -20.914 -9.574 14.177 1.00 0.00 N ATOM 425 CA GLY A 27 -20.467 -9.622 15.563 1.00 0.00 C ATOM 426 C GLY A 27 -18.947 -9.537 15.665 1.00 0.00 C ATOM 427 O GLY A 27 -18.403 -9.249 16.730 1.00 0.00 O ATOM 0 H GLY A 27 -21.195 -10.476 13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.916 -8.800 16.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.812 -10.546 16.026 1.00 0.00 H new ATOM 431 N ILE A 28 -18.270 -9.808 14.555 1.00 0.00 N ATOM 432 CA ILE A 28 -16.811 -9.780 14.530 1.00 0.00 C ATOM 433 C ILE A 28 -16.292 -8.377 14.765 1.00 0.00 C ATOM 434 O ILE A 28 -15.326 -8.190 15.496 1.00 0.00 O ATOM 435 CB ILE A 28 -16.292 -10.301 13.190 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.621 -11.791 13.069 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.779 -10.094 13.087 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.885 -12.634 14.131 1.00 0.00 C ATOM 0 H ILE A 28 -18.705 -10.049 13.664 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.450 -10.425 15.331 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.773 -9.750 12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.696 -11.934 13.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.348 -12.143 12.074 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.425 -10.470 12.127 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.551 -9.031 13.167 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.282 -10.633 13.894 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.148 -13.685 14.008 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.809 -12.513 14.010 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.178 -12.301 15.127 1.00 0.00 H new ATOM 450 N LEU A 29 -16.924 -7.396 14.137 1.00 0.00 N ATOM 451 CA LEU A 29 -16.499 -6.011 14.284 1.00 0.00 C ATOM 452 C LEU A 29 -17.251 -5.330 15.429 1.00 0.00 C ATOM 453 O LEU A 29 -16.755 -4.382 16.034 1.00 0.00 O ATOM 454 CB LEU A 29 -16.776 -5.256 12.983 1.00 0.00 C ATOM 455 CG LEU A 29 -18.132 -5.706 12.380 1.00 0.00 C ATOM 456 CD1 LEU A 29 -18.844 -4.518 11.727 1.00 0.00 C ATOM 457 CD2 LEU A 29 -17.890 -6.790 11.322 1.00 0.00 C ATOM 0 H LEU A 29 -17.728 -7.532 13.524 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.432 -5.997 14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.793 -4.183 13.173 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.973 -5.441 12.269 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.757 -6.102 13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.794 -4.849 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.026 -3.747 12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.219 -4.111 10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -18.844 -7.105 10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.256 -6.391 10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -17.397 -7.646 11.784 1.00 0.00 H new ATOM 469 N ASP A 30 -18.449 -5.812 15.717 1.00 0.00 N ATOM 470 CA ASP A 30 -19.246 -5.230 16.788 1.00 0.00 C ATOM 471 C ASP A 30 -18.510 -5.341 18.119 1.00 0.00 C ATOM 472 O ASP A 30 -18.610 -4.458 18.970 1.00 0.00 O ATOM 473 CB ASP A 30 -20.588 -5.950 16.891 1.00 0.00 C ATOM 474 CG ASP A 30 -21.554 -5.144 17.751 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.104 -4.218 18.406 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.731 -5.464 17.740 1.00 0.00 O ATOM 0 H ASP A 30 -18.888 -6.595 15.232 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.414 -4.178 16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.009 -6.094 15.896 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.445 -6.941 17.323 1.00 0.00 H new ATOM 481 N GLN A 31 -17.779 -6.436 18.294 1.00 0.00 N ATOM 482 CA GLN A 31 -17.038 -6.656 19.529 1.00 0.00 C ATOM 483 C GLN A 31 -15.924 -5.624 19.678 1.00 0.00 C ATOM 484 O GLN A 31 -15.604 -5.198 20.788 1.00 0.00 O ATOM 485 CB GLN A 31 -16.439 -8.068 19.543 1.00 0.00 C ATOM 486 CG GLN A 31 -15.903 -8.389 20.938 1.00 0.00 C ATOM 487 CD GLN A 31 -17.061 -8.512 21.922 1.00 0.00 C ATOM 488 OE1 GLN A 31 -16.947 -8.007 23.118 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -18.100 -9.084 21.590 1.00 0.00 N flip ATOM 0 H GLN A 31 -17.684 -7.179 17.602 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.729 -6.551 20.365 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.197 -8.797 19.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.636 -8.140 18.809 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.334 -9.319 20.914 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.219 -7.605 21.264 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.188 -9.479 20.654 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.872 -9.163 22.251 1.00 0.00 H new ATOM 498 N LEU A 32 -15.327 -5.233 18.557 1.00 0.00 N ATOM 499 CA LEU A 32 -14.242 -4.260 18.587 1.00 0.00 C ATOM 500 C LEU A 32 -14.730 -2.932 19.141 1.00 0.00 C ATOM 501 O LEU A 32 -14.088 -2.339 19.991 1.00 0.00 O ATOM 502 CB LEU A 32 -13.685 -4.057 17.168 1.00 0.00 C ATOM 503 CG LEU A 32 -12.692 -5.178 16.827 1.00 0.00 C ATOM 504 CD1 LEU A 32 -11.399 -5.043 17.665 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.357 -6.538 17.092 1.00 0.00 C ATOM 0 H LEU A 32 -15.573 -5.571 17.626 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.453 -4.640 19.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.501 -4.051 16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.190 -3.088 17.098 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.419 -5.102 15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.712 -5.848 17.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.928 -4.082 17.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.645 -5.103 18.725 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.657 -7.338 16.852 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.640 -6.606 18.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.247 -6.635 16.470 1.00 0.00 H new ATOM 517 N ASP A 33 -15.866 -2.473 18.657 1.00 0.00 N ATOM 518 CA ASP A 33 -16.424 -1.216 19.129 1.00 0.00 C ATOM 519 C ASP A 33 -16.878 -1.345 20.579 1.00 0.00 C ATOM 520 O ASP A 33 -16.792 -0.400 21.361 1.00 0.00 O ATOM 521 CB ASP A 33 -17.596 -0.803 18.246 1.00 0.00 C ATOM 522 CG ASP A 33 -18.137 0.549 18.696 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.688 1.038 19.720 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.992 1.081 18.007 1.00 0.00 O ATOM 0 H ASP A 33 -16.420 -2.945 17.942 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.652 -0.449 19.076 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.276 -0.748 17.205 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.384 -1.555 18.298 1.00 0.00 H new ATOM 529 N LEU A 34 -17.385 -2.524 20.918 1.00 0.00 N ATOM 530 CA LEU A 34 -17.881 -2.773 22.264 1.00 0.00 C ATOM 531 C LEU A 34 -16.764 -2.668 23.292 1.00 0.00 C ATOM 532 O LEU A 34 -16.969 -2.160 24.393 1.00 0.00 O ATOM 533 CB LEU A 34 -18.522 -4.162 22.348 1.00 0.00 C ATOM 534 CG LEU A 34 -19.189 -4.354 23.724 1.00 0.00 C ATOM 535 CD1 LEU A 34 -20.357 -3.361 23.901 1.00 0.00 C ATOM 536 CD2 LEU A 34 -19.708 -5.793 23.838 1.00 0.00 C ATOM 0 H LEU A 34 -17.463 -3.318 20.283 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.630 -2.013 22.485 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.263 -4.278 21.557 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -17.765 -4.931 22.191 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.453 -4.165 24.506 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.817 -3.510 24.878 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.981 -2.340 23.829 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.099 -3.530 23.121 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.181 -5.933 24.810 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.437 -5.980 23.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.876 -6.489 23.735 1.00 0.00 H new ATOM 548 N VAL A 35 -15.592 -3.169 22.939 1.00 0.00 N ATOM 549 CA VAL A 35 -14.460 -3.148 23.855 1.00 0.00 C ATOM 550 C VAL A 35 -14.220 -1.730 24.377 1.00 0.00 C ATOM 551 O VAL A 35 -13.699 -1.541 25.475 1.00 0.00 O ATOM 552 CB VAL A 35 -13.194 -3.661 23.128 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.477 -2.506 22.393 1.00 0.00 C ATOM 554 CG2 VAL A 35 -12.227 -4.288 24.139 1.00 0.00 C ATOM 0 H VAL A 35 -15.398 -3.593 22.032 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.681 -3.797 24.702 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.503 -4.409 22.398 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.590 -2.890 21.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.152 -2.069 21.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.183 -1.743 23.114 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.339 -4.646 23.619 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.938 -3.541 24.878 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.716 -5.123 24.640 1.00 0.00 H new ATOM 564 N HIS A 36 -14.593 -0.742 23.572 1.00 0.00 N ATOM 565 CA HIS A 36 -14.400 0.648 23.951 1.00 0.00 C ATOM 566 C HIS A 36 -15.485 1.095 24.917 1.00 0.00 C ATOM 567 O HIS A 36 -15.205 1.754 25.918 1.00 0.00 O ATOM 568 CB HIS A 36 -14.425 1.538 22.705 1.00 0.00 C ATOM 569 CG HIS A 36 -13.175 1.316 21.900 1.00 0.00 C ATOM 570 ND1 HIS A 36 -13.127 0.435 20.832 1.00 0.00 N ATOM 571 CD2 HIS A 36 -11.915 1.855 21.996 1.00 0.00 C ATOM 572 CE1 HIS A 36 -11.878 0.470 20.331 1.00 0.00 C ATOM 573 NE2 HIS A 36 -11.099 1.320 21.004 1.00 0.00 N ATOM 0 H HIS A 36 -15.028 -0.878 22.659 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.432 0.739 24.443 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.303 1.310 22.101 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.501 2.586 22.996 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -13.898 -0.137 20.488 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.605 2.584 22.730 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.547 -0.118 19.488 1.00 0.00 H new ATOM 581 N GLN A 37 -16.728 0.729 24.615 1.00 0.00 N ATOM 582 CA GLN A 37 -17.853 1.101 25.469 1.00 0.00 C ATOM 583 C GLN A 37 -18.009 0.092 26.605 1.00 0.00 C ATOM 584 O GLN A 37 -18.792 0.293 27.531 1.00 0.00 O ATOM 585 CB GLN A 37 -19.142 1.153 24.637 1.00 0.00 C ATOM 586 CG GLN A 37 -20.215 1.963 25.377 1.00 0.00 C ATOM 587 CD GLN A 37 -19.813 3.433 25.423 1.00 0.00 C ATOM 588 OE1 GLN A 37 -19.286 3.963 24.445 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.027 4.125 26.508 1.00 0.00 N ATOM 0 H GLN A 37 -16.981 0.180 23.793 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.661 2.085 25.897 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -18.939 1.605 23.666 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -19.504 0.142 24.449 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -21.176 1.855 24.874 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.340 1.579 26.389 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -20.464 3.683 27.317 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -19.757 5.108 26.547 1.00 0.00 H new ATOM 598 N ALA A 38 -17.256 -0.997 26.529 1.00 0.00 N ATOM 599 CA ALA A 38 -17.332 -2.025 27.557 1.00 0.00 C ATOM 600 C ALA A 38 -16.764 -1.508 28.871 1.00 0.00 C ATOM 601 O ALA A 38 -15.777 -0.774 28.889 1.00 0.00 O ATOM 602 CB ALA A 38 -16.552 -3.260 27.119 1.00 0.00 C ATOM 0 H ALA A 38 -16.594 -1.190 25.777 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.380 -2.289 27.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.614 -4.024 27.894 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.975 -3.648 26.192 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.508 -2.992 26.957 1.00 0.00 H new ATOM 608 N LYS A 39 -17.396 -1.898 29.969 1.00 0.00 N ATOM 609 CA LYS A 39 -16.947 -1.466 31.284 1.00 0.00 C ATOM 610 C LYS A 39 -15.658 -2.185 31.651 1.00 0.00 C ATOM 611 O LYS A 39 -15.365 -3.238 31.104 1.00 0.00 O ATOM 612 CB LYS A 39 -18.025 -1.764 32.334 1.00 0.00 C ATOM 613 CG LYS A 39 -17.584 -1.241 33.727 1.00 0.00 C ATOM 614 CD LYS A 39 -17.056 -2.395 34.582 1.00 0.00 C ATOM 615 CE LYS A 39 -16.499 -1.843 35.892 1.00 0.00 C ATOM 616 NZ LYS A 39 -16.019 -2.970 36.738 1.00 0.00 N ATOM 0 H LYS A 39 -18.214 -2.507 29.976 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.764 -0.392 31.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.965 -1.294 32.043 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.207 -2.838 32.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.811 -0.482 33.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.426 -0.764 34.228 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.856 -3.107 34.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.278 -2.935 34.043 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.681 -1.151 35.690 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.269 -1.280 36.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.182 -2.745 37.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.537 -3.836 36.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.002 -3.116 36.577 1.00 0.00 H new ATOM 630 N GLY A 40 -14.891 -1.607 32.582 1.00 0.00 N ATOM 631 CA GLY A 40 -13.624 -2.207 33.023 1.00 0.00 C ATOM 632 C GLY A 40 -13.685 -3.738 33.012 1.00 0.00 C ATOM 633 O GLY A 40 -13.114 -4.384 32.139 1.00 0.00 O ATOM 0 H GLY A 40 -15.123 -0.728 33.044 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.817 -1.871 32.372 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.388 -1.860 34.029 1.00 0.00 H new ATOM 637 N ARG A 41 -14.381 -4.312 33.984 1.00 0.00 N ATOM 638 CA ARG A 41 -14.508 -5.762 34.064 1.00 0.00 C ATOM 639 C ARG A 41 -15.159 -6.314 32.798 1.00 0.00 C ATOM 640 O ARG A 41 -14.734 -7.338 32.269 1.00 0.00 O ATOM 641 CB ARG A 41 -15.362 -6.138 35.275 1.00 0.00 C ATOM 642 CG ARG A 41 -15.412 -7.661 35.419 1.00 0.00 C ATOM 643 CD ARG A 41 -16.306 -8.034 36.600 1.00 0.00 C ATOM 644 NE ARG A 41 -15.702 -7.590 37.850 1.00 0.00 N ATOM 645 CZ ARG A 41 -16.309 -7.793 39.015 1.00 0.00 C ATOM 646 NH1 ARG A 41 -17.463 -8.401 39.052 1.00 0.00 N ATOM 647 NH2 ARG A 41 -15.751 -7.383 40.121 1.00 0.00 N ATOM 0 H ARG A 41 -14.863 -3.801 34.723 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.512 -6.192 34.166 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.946 -5.691 36.178 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.370 -5.741 35.158 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.795 -8.111 34.503 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.407 -8.055 35.571 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.288 -7.577 36.480 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.457 -9.113 36.624 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.799 -7.116 37.830 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.899 -8.720 38.187 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.929 -8.557 39.946 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.849 -6.907 40.091 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.216 -7.539 41.015 1.00 0.00 H new ATOM 661 N ASP A 42 -16.194 -5.636 32.317 1.00 0.00 N ATOM 662 CA ASP A 42 -16.891 -6.090 31.119 1.00 0.00 C ATOM 663 C ASP A 42 -15.954 -6.080 29.914 1.00 0.00 C ATOM 664 O ASP A 42 -16.172 -6.802 28.940 1.00 0.00 O ATOM 665 CB ASP A 42 -18.087 -5.176 30.842 1.00 0.00 C ATOM 666 CG ASP A 42 -18.926 -5.738 29.700 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.415 -6.847 29.839 1.00 0.00 O ATOM 668 OD2 ASP A 42 -19.070 -5.049 28.703 1.00 0.00 O ATOM 0 H ASP A 42 -16.566 -4.781 32.731 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.237 -7.110 31.285 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -18.698 -5.082 31.740 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.738 -4.175 30.588 1.00 0.00 H new ATOM 673 N GLN A 43 -14.917 -5.255 29.986 1.00 0.00 N ATOM 674 CA GLN A 43 -13.957 -5.151 28.898 1.00 0.00 C ATOM 675 C GLN A 43 -13.135 -6.429 28.790 1.00 0.00 C ATOM 676 O GLN A 43 -12.726 -6.830 27.700 1.00 0.00 O ATOM 677 CB GLN A 43 -13.028 -3.954 29.120 1.00 0.00 C ATOM 678 CG GLN A 43 -12.176 -3.731 27.871 1.00 0.00 C ATOM 679 CD GLN A 43 -11.278 -2.515 28.067 1.00 0.00 C ATOM 680 OE1 GLN A 43 -10.463 -2.484 28.988 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.380 -1.503 27.249 1.00 0.00 N ATOM 0 H GLN A 43 -14.721 -4.651 30.784 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.507 -5.005 27.968 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.614 -3.061 29.338 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.387 -4.133 29.983 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.569 -4.614 27.672 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.819 -3.583 27.003 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.056 -1.530 26.486 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.783 -0.685 27.373 1.00 0.00 H new ATOM 690 N ILE A 44 -12.900 -7.065 29.933 1.00 0.00 N ATOM 691 CA ILE A 44 -12.128 -8.300 29.967 1.00 0.00 C ATOM 692 C ILE A 44 -12.856 -9.402 29.201 1.00 0.00 C ATOM 693 O ILE A 44 -12.244 -10.152 28.442 1.00 0.00 O ATOM 694 CB ILE A 44 -11.896 -8.739 31.420 1.00 0.00 C ATOM 695 CG1 ILE A 44 -10.953 -7.747 32.105 1.00 0.00 C ATOM 696 CG2 ILE A 44 -11.267 -10.140 31.441 1.00 0.00 C ATOM 697 CD1 ILE A 44 -10.947 -8.016 33.611 1.00 0.00 C ATOM 0 H ILE A 44 -13.232 -6.747 30.844 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.164 -8.120 29.492 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.849 -8.763 31.949 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.945 -7.847 31.702 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.275 -6.725 31.907 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.103 -10.450 32.473 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.937 -10.847 30.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.314 -10.119 30.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.277 -7.312 34.104 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.955 -7.894 34.006 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.605 -9.034 33.797 1.00 0.00 H new ATOM 709 N ALA A 45 -14.163 -9.491 29.406 1.00 0.00 N ATOM 710 CA ALA A 45 -14.961 -10.507 28.731 1.00 0.00 C ATOM 711 C ALA A 45 -14.838 -10.371 27.214 1.00 0.00 C ATOM 712 O ALA A 45 -14.769 -11.370 26.496 1.00 0.00 O ATOM 713 CB ALA A 45 -16.430 -10.370 29.139 1.00 0.00 C ATOM 0 H ALA A 45 -14.690 -8.878 30.028 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.589 -11.488 29.026 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.021 -11.132 28.631 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.522 -10.499 30.218 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.795 -9.382 28.859 1.00 0.00 H new ATOM 719 N ALA A 46 -14.803 -9.131 26.733 1.00 0.00 N ATOM 720 CA ALA A 46 -14.679 -8.874 25.305 1.00 0.00 C ATOM 721 C ALA A 46 -13.365 -9.433 24.790 1.00 0.00 C ATOM 722 O ALA A 46 -13.319 -10.052 23.731 1.00 0.00 O ATOM 723 CB ALA A 46 -14.741 -7.368 25.042 1.00 0.00 C ATOM 0 H ALA A 46 -14.859 -8.292 27.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.502 -9.363 24.783 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.648 -7.181 23.972 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.694 -6.976 25.397 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.926 -6.873 25.569 1.00 0.00 H new ATOM 729 N SER A 47 -12.292 -9.208 25.543 1.00 0.00 N ATOM 730 CA SER A 47 -10.986 -9.695 25.133 1.00 0.00 C ATOM 731 C SER A 47 -10.973 -11.218 25.049 1.00 0.00 C ATOM 732 O SER A 47 -10.494 -11.795 24.074 1.00 0.00 O ATOM 733 CB SER A 47 -9.920 -9.231 26.125 1.00 0.00 C ATOM 734 OG SER A 47 -9.937 -7.812 26.195 1.00 0.00 O ATOM 0 H SER A 47 -12.303 -8.699 26.427 1.00 0.00 H new ATOM 0 HA SER A 47 -10.769 -9.289 24.145 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.111 -9.658 27.109 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.936 -9.580 25.811 1.00 0.00 H new ATOM 0 HG SER A 47 -10.692 -7.521 26.747 1.00 0.00 H new ATOM 740 N PHE A 48 -11.506 -11.861 26.082 1.00 0.00 N ATOM 741 CA PHE A 48 -11.557 -13.317 26.120 1.00 0.00 C ATOM 742 C PHE A 48 -12.440 -13.853 24.998 1.00 0.00 C ATOM 743 O PHE A 48 -12.061 -14.780 24.284 1.00 0.00 O ATOM 744 CB PHE A 48 -12.101 -13.784 27.471 1.00 0.00 C ATOM 745 CG PHE A 48 -12.170 -15.295 27.491 1.00 0.00 C ATOM 746 CD1 PHE A 48 -10.988 -16.046 27.524 1.00 0.00 C ATOM 747 CD2 PHE A 48 -13.412 -15.944 27.476 1.00 0.00 C ATOM 748 CE1 PHE A 48 -11.049 -17.445 27.543 1.00 0.00 C ATOM 749 CE2 PHE A 48 -13.470 -17.343 27.495 1.00 0.00 C ATOM 750 CZ PHE A 48 -12.289 -18.094 27.528 1.00 0.00 C ATOM 0 H PHE A 48 -11.906 -11.400 26.899 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.546 -13.702 25.983 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.459 -13.428 28.277 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.091 -13.362 27.642 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.030 -15.547 27.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.324 -15.366 27.450 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.138 -18.024 27.569 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.427 -17.843 27.484 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.335 -19.173 27.542 1.00 0.00 H new ATOM 760 N GLU A 49 -13.622 -13.262 24.852 1.00 0.00 N ATOM 761 CA GLU A 49 -14.555 -13.689 23.816 1.00 0.00 C ATOM 762 C GLU A 49 -14.013 -13.347 22.435 1.00 0.00 C ATOM 763 O GLU A 49 -14.122 -14.139 21.499 1.00 0.00 O ATOM 764 CB GLU A 49 -15.909 -13.004 24.021 1.00 0.00 C ATOM 765 CG GLU A 49 -16.918 -13.557 23.012 1.00 0.00 C ATOM 766 CD GLU A 49 -18.284 -12.917 23.234 1.00 0.00 C ATOM 767 OE1 GLU A 49 -18.342 -11.919 23.932 1.00 0.00 O ATOM 768 OE2 GLU A 49 -19.253 -13.438 22.706 1.00 0.00 O ATOM 0 H GLU A 49 -13.954 -12.492 25.433 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.680 -14.770 23.886 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.264 -13.174 25.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.806 -11.926 23.895 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.575 -13.358 21.997 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.993 -14.639 23.117 1.00 0.00 H new ATOM 775 N LEU A 50 -13.429 -12.164 22.319 1.00 0.00 N ATOM 776 CA LEU A 50 -12.873 -11.721 21.048 1.00 0.00 C ATOM 777 C LEU A 50 -11.763 -12.661 20.601 1.00 0.00 C ATOM 778 O LEU A 50 -11.595 -12.917 19.409 1.00 0.00 O ATOM 779 CB LEU A 50 -12.324 -10.294 21.169 1.00 0.00 C ATOM 780 CG LEU A 50 -11.746 -9.831 19.821 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.836 -9.875 18.733 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.212 -8.401 19.968 1.00 0.00 C ATOM 0 H LEU A 50 -13.328 -11.497 23.084 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.670 -11.731 20.305 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.118 -9.617 21.484 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.551 -10.258 21.936 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.934 -10.497 19.527 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.415 -9.545 17.783 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.207 -10.895 18.631 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.658 -9.216 19.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.801 -8.067 19.016 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.024 -7.738 20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.431 -8.381 20.728 1.00 0.00 H new ATOM 794 N ASN A 51 -10.997 -13.159 21.562 1.00 0.00 N ATOM 795 CA ASN A 51 -9.893 -14.051 21.251 1.00 0.00 C ATOM 796 C ASN A 51 -10.400 -15.273 20.496 1.00 0.00 C ATOM 797 O ASN A 51 -9.765 -15.735 19.550 1.00 0.00 O ATOM 798 CB ASN A 51 -9.204 -14.496 22.545 1.00 0.00 C ATOM 799 CG ASN A 51 -8.482 -13.312 23.179 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.296 -12.280 22.535 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.060 -13.399 24.411 1.00 0.00 N ATOM 0 H ASN A 51 -11.119 -12.962 22.555 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.178 -13.518 20.625 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.941 -14.899 23.240 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.494 -15.296 22.333 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.576 -12.611 24.841 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.215 -14.255 24.944 1.00 0.00 H new ATOM 808 N LYS A 52 -11.547 -15.792 20.917 1.00 0.00 N ATOM 809 CA LYS A 52 -12.124 -16.964 20.265 1.00 0.00 C ATOM 810 C LYS A 52 -12.497 -16.637 18.823 1.00 0.00 C ATOM 811 O LYS A 52 -12.251 -17.429 17.914 1.00 0.00 O ATOM 812 CB LYS A 52 -13.376 -17.439 21.043 1.00 0.00 C ATOM 813 CG LYS A 52 -13.017 -18.574 22.017 1.00 0.00 C ATOM 814 CD LYS A 52 -12.197 -18.012 23.198 1.00 0.00 C ATOM 815 CE LYS A 52 -13.141 -17.573 24.318 1.00 0.00 C ATOM 816 NZ LYS A 52 -13.681 -18.783 24.991 1.00 0.00 N ATOM 0 H LYS A 52 -12.092 -15.426 21.698 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.383 -17.764 20.261 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.806 -16.603 21.595 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.137 -17.783 20.342 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.926 -19.049 22.387 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.444 -19.343 21.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.507 -18.770 23.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.594 -17.167 22.865 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.610 -16.947 25.035 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.955 -16.972 23.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.657 -18.951 24.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.092 -19.606 24.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.673 -18.640 26.021 1.00 0.00 H new ATOM 830 N LYS A 53 -13.097 -15.473 18.622 1.00 0.00 N ATOM 831 CA LYS A 53 -13.503 -15.070 17.289 1.00 0.00 C ATOM 832 C LYS A 53 -12.288 -14.932 16.382 1.00 0.00 C ATOM 833 O LYS A 53 -12.277 -15.442 15.262 1.00 0.00 O ATOM 834 CB LYS A 53 -14.251 -13.735 17.362 1.00 0.00 C ATOM 835 CG LYS A 53 -15.600 -13.933 18.042 1.00 0.00 C ATOM 836 CD LYS A 53 -16.292 -12.578 18.183 1.00 0.00 C ATOM 837 CE LYS A 53 -17.602 -12.758 18.938 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.575 -13.506 18.089 1.00 0.00 N ATOM 0 H LYS A 53 -13.311 -14.799 19.358 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.161 -15.834 16.875 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.659 -13.006 17.915 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.395 -13.334 16.359 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.220 -14.613 17.457 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.464 -14.390 19.022 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.645 -11.880 18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.482 -12.150 17.199 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.425 -13.299 19.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.013 -11.785 19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.528 -13.423 18.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.575 -13.108 17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.301 -14.509 18.049 1.00 0.00 H new ATOM 852 N ILE A 54 -11.261 -14.250 16.877 1.00 0.00 N ATOM 853 CA ILE A 54 -10.042 -14.061 16.100 1.00 0.00 C ATOM 854 C ILE A 54 -9.309 -15.389 15.927 1.00 0.00 C ATOM 855 O ILE A 54 -8.841 -15.713 14.836 1.00 0.00 O ATOM 856 CB ILE A 54 -9.125 -13.052 16.801 1.00 0.00 C ATOM 857 CG1 ILE A 54 -9.780 -11.667 16.771 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.774 -12.987 16.080 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.001 -10.710 17.676 1.00 0.00 C ATOM 0 H ILE A 54 -11.247 -13.823 17.803 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.314 -13.678 15.116 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.968 -13.366 17.833 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.798 -11.284 15.751 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.816 -11.736 17.104 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.127 -12.268 16.583 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.305 -13.971 16.097 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.928 -12.676 15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.469 -9.726 17.653 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.006 -11.090 18.698 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.973 -10.631 17.323 1.00 0.00 H new ATOM 871 N ASN A 55 -9.211 -16.149 17.012 1.00 0.00 N ATOM 872 CA ASN A 55 -8.528 -17.434 16.970 1.00 0.00 C ATOM 873 C ASN A 55 -9.231 -18.385 16.007 1.00 0.00 C ATOM 874 O ASN A 55 -8.586 -19.108 15.247 1.00 0.00 O ATOM 875 CB ASN A 55 -8.487 -18.054 18.371 1.00 0.00 C ATOM 876 CG ASN A 55 -7.446 -17.343 19.230 1.00 0.00 C ATOM 877 OD1 ASN A 55 -6.568 -16.660 18.702 1.00 0.00 O ATOM 878 ND2 ASN A 55 -7.492 -17.462 20.528 1.00 0.00 N ATOM 0 H ASN A 55 -9.593 -15.899 17.924 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.509 -17.270 16.619 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.469 -17.979 18.839 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.248 -19.115 18.300 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.800 -16.989 21.108 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.220 -18.028 20.963 1.00 0.00 H new ATOM 885 N ASP A 56 -10.558 -18.380 16.050 1.00 0.00 N ATOM 886 CA ASP A 56 -11.346 -19.246 15.182 1.00 0.00 C ATOM 887 C ASP A 56 -11.125 -18.880 13.718 1.00 0.00 C ATOM 888 O ASP A 56 -11.028 -19.754 12.857 1.00 0.00 O ATOM 889 CB ASP A 56 -12.831 -19.117 15.523 1.00 0.00 C ATOM 890 CG ASP A 56 -13.656 -20.012 14.603 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.527 -21.220 14.714 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.402 -19.476 13.802 1.00 0.00 O ATOM 0 H ASP A 56 -11.108 -17.789 16.673 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.026 -20.276 15.340 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.000 -19.396 16.563 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.149 -18.080 15.416 1.00 0.00 H new ATOM 897 N TYR A 57 -11.048 -17.582 13.446 1.00 0.00 N ATOM 898 CA TYR A 57 -10.844 -17.107 12.084 1.00 0.00 C ATOM 899 C TYR A 57 -9.542 -17.666 11.517 1.00 0.00 C ATOM 900 O TYR A 57 -9.478 -18.059 10.352 1.00 0.00 O ATOM 901 CB TYR A 57 -10.796 -15.579 12.063 1.00 0.00 C ATOM 902 CG TYR A 57 -10.813 -15.093 10.633 1.00 0.00 C ATOM 903 CD1 TYR A 57 -9.616 -14.949 9.924 1.00 0.00 C ATOM 904 CD2 TYR A 57 -12.034 -14.788 10.017 1.00 0.00 C ATOM 905 CE1 TYR A 57 -9.639 -14.499 8.597 1.00 0.00 C ATOM 906 CE2 TYR A 57 -12.056 -14.338 8.691 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.859 -14.194 7.982 1.00 0.00 C ATOM 908 OH TYR A 57 -10.880 -13.750 6.675 1.00 0.00 O ATOM 0 H TYR A 57 -11.123 -16.844 14.146 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.676 -17.450 11.470 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.648 -15.171 12.607 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.896 -15.226 12.567 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.675 -15.184 10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -12.958 -14.900 10.565 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.715 -14.387 8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.997 -14.102 8.216 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.991 -14.514 6.072 1.00 0.00 H new ATOM 918 N ILE A 58 -8.506 -17.699 12.350 1.00 0.00 N ATOM 919 CA ILE A 58 -7.209 -18.211 11.921 1.00 0.00 C ATOM 920 C ILE A 58 -7.322 -19.685 11.536 1.00 0.00 C ATOM 921 O ILE A 58 -6.764 -20.115 10.527 1.00 0.00 O ATOM 922 CB ILE A 58 -6.184 -18.053 13.050 1.00 0.00 C ATOM 923 CG1 ILE A 58 -5.911 -16.564 13.282 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.877 -18.754 12.662 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.094 -16.386 14.564 1.00 0.00 C ATOM 0 H ILE A 58 -8.538 -17.380 13.318 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.880 -17.641 11.052 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.578 -18.501 13.962 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.370 -16.146 12.433 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.852 -16.019 13.360 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.150 -18.640 13.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.069 -19.814 12.494 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.481 -18.307 11.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.900 -15.326 14.728 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.652 -16.788 15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.147 -16.917 14.469 1.00 0.00 H new ATOM 937 N ALA A 59 -8.043 -20.452 12.345 1.00 0.00 N ATOM 938 CA ALA A 59 -8.212 -21.874 12.076 1.00 0.00 C ATOM 939 C ALA A 59 -8.861 -22.082 10.712 1.00 0.00 C ATOM 940 O ALA A 59 -8.474 -22.975 9.958 1.00 0.00 O ATOM 941 CB ALA A 59 -9.087 -22.507 13.161 1.00 0.00 C ATOM 0 H ALA A 59 -8.516 -20.117 13.185 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.231 -22.348 12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.210 -23.570 12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.611 -22.379 14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.064 -22.023 13.169 1.00 0.00 H new ATOM 947 N GLU A 60 -9.847 -21.249 10.400 1.00 0.00 N ATOM 948 CA GLU A 60 -10.542 -21.346 9.122 1.00 0.00 C ATOM 949 C GLU A 60 -9.688 -20.763 8.002 1.00 0.00 C ATOM 950 O GLU A 60 -10.085 -20.774 6.837 1.00 0.00 O ATOM 951 CB GLU A 60 -11.874 -20.595 9.190 1.00 0.00 C ATOM 952 CG GLU A 60 -12.802 -21.281 10.195 1.00 0.00 C ATOM 953 CD GLU A 60 -13.167 -22.678 9.704 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.621 -22.789 8.576 1.00 0.00 O ATOM 955 OE2 GLU A 60 -12.986 -23.617 10.460 1.00 0.00 O ATOM 0 H GLU A 60 -10.182 -20.503 11.010 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.729 -22.399 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.704 -19.560 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.341 -20.573 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.314 -21.345 11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.706 -20.687 10.331 1.00 0.00 H new ATOM 962 N HIS A 61 -8.513 -20.249 8.362 1.00 0.00 N ATOM 963 CA HIS A 61 -7.597 -19.655 7.383 1.00 0.00 C ATOM 964 C HIS A 61 -6.207 -20.275 7.508 1.00 0.00 C ATOM 965 O HIS A 61 -5.238 -19.588 7.837 1.00 0.00 O ATOM 966 CB HIS A 61 -7.507 -18.145 7.610 1.00 0.00 C ATOM 967 CG HIS A 61 -8.813 -17.511 7.211 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.006 -17.805 7.853 1.00 0.00 N ATOM 969 CD2 HIS A 61 -9.130 -16.603 6.231 1.00 0.00 C ATOM 970 CE1 HIS A 61 -10.977 -17.085 7.259 1.00 0.00 C ATOM 971 NE2 HIS A 61 -10.496 -16.335 6.264 1.00 0.00 N ATOM 0 H HIS A 61 -8.171 -20.231 9.323 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.981 -19.851 6.382 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.290 -17.934 8.657 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.690 -17.724 7.024 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -10.127 -18.450 8.634 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.427 -16.163 5.539 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.016 -17.111 7.551 1.00 0.00 H new ATOM 979 N PRO A 62 -6.097 -21.558 7.259 1.00 0.00 N ATOM 980 CA PRO A 62 -4.795 -22.289 7.348 1.00 0.00 C ATOM 981 C PRO A 62 -3.809 -21.827 6.275 1.00 0.00 C ATOM 982 O PRO A 62 -2.598 -22.010 6.410 1.00 0.00 O ATOM 983 CB PRO A 62 -5.188 -23.768 7.154 1.00 0.00 C ATOM 984 CG PRO A 62 -6.493 -23.734 6.420 1.00 0.00 C ATOM 985 CD PRO A 62 -7.203 -22.456 6.865 1.00 0.00 C ATOM 0 HA PRO A 62 -4.283 -22.110 8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.430 -24.306 6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.288 -24.278 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.333 -23.734 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.093 -24.613 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.798 -22.028 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.881 -22.644 7.697 1.00 0.00 H new ATOM 993 N THR A 63 -4.335 -21.229 5.215 1.00 0.00 N ATOM 994 CA THR A 63 -3.495 -20.749 4.124 1.00 0.00 C ATOM 995 C THR A 63 -2.847 -19.422 4.497 1.00 0.00 C ATOM 996 O THR A 63 -1.904 -18.976 3.842 1.00 0.00 O ATOM 997 CB THR A 63 -4.331 -20.576 2.851 1.00 0.00 C ATOM 998 OG1 THR A 63 -3.745 -19.571 2.036 1.00 0.00 O ATOM 999 CG2 THR A 63 -5.755 -20.160 3.225 1.00 0.00 C ATOM 0 H THR A 63 -5.333 -21.065 5.086 1.00 0.00 H new ATOM 0 HA THR A 63 -2.712 -21.485 3.941 1.00 0.00 H new ATOM 0 HB THR A 63 -4.361 -21.519 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.850 -19.358 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.348 -20.037 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.206 -20.929 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.727 -19.217 3.771 1.00 0.00 H new ATOM 1007 N SER A 64 -3.362 -18.794 5.549 1.00 0.00 N ATOM 1008 CA SER A 64 -2.827 -17.515 6.003 1.00 0.00 C ATOM 1009 C SER A 64 -3.143 -16.413 4.993 1.00 0.00 C ATOM 1010 O SER A 64 -3.231 -16.664 3.791 1.00 0.00 O ATOM 1011 CB SER A 64 -1.310 -17.622 6.200 1.00 0.00 C ATOM 1012 OG SER A 64 -0.991 -18.918 6.687 1.00 0.00 O ATOM 0 H SER A 64 -4.144 -19.147 6.100 1.00 0.00 H new ATOM 0 HA SER A 64 -3.295 -17.261 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.795 -17.438 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.968 -16.862 6.903 1.00 0.00 H new ATOM 0 HG SER A 64 -0.022 -18.991 6.813 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.309 -15.193 5.491 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.610 -14.061 4.628 1.00 0.00 C ATOM 1020 C GLY A 65 -4.012 -12.844 5.450 1.00 0.00 C ATOM 1021 O GLY A 65 -3.176 -12.214 6.097 1.00 0.00 O ATOM 0 H GLY A 65 -3.240 -14.965 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.739 -13.822 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.416 -14.325 3.943 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.298 -12.518 5.420 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.807 -11.372 6.162 1.00 0.00 C ATOM 1027 C ARG A 66 -5.972 -11.718 7.635 1.00 0.00 C ATOM 1028 O ARG A 66 -6.201 -10.840 8.468 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.154 -10.936 5.583 1.00 0.00 C ATOM 1030 CG ARG A 66 -7.011 -10.610 4.087 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.387 -9.222 3.899 1.00 0.00 C ATOM 1032 NE ARG A 66 -6.420 -8.848 2.490 1.00 0.00 N ATOM 1033 CZ ARG A 66 -7.486 -8.259 1.961 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -8.532 -8.015 2.703 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -7.487 -7.928 0.701 1.00 0.00 N ATOM 0 H ARG A 66 -6.005 -13.029 4.892 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.090 -10.556 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.890 -11.728 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.522 -10.061 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.390 -11.363 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.988 -10.644 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.930 -8.486 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.358 -9.225 4.259 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.610 -9.042 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.530 -8.277 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.351 -7.563 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.670 -8.121 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.305 -7.476 0.293 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.853 -13.000 7.951 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.990 -13.452 9.329 1.00 0.00 C ATOM 1051 C ASN A 67 -4.869 -12.883 10.193 1.00 0.00 C ATOM 1052 O ASN A 67 -4.994 -12.806 11.415 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.953 -14.980 9.381 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.576 -15.483 8.959 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -3.797 -14.736 8.367 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -4.229 -16.710 9.231 1.00 0.00 N ATOM 0 H ASN A 67 -5.663 -13.742 7.277 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.946 -13.098 9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.181 -15.323 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.718 -15.393 8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.310 -17.054 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.877 -17.326 9.722 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.777 -12.485 9.550 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.640 -11.922 10.269 1.00 0.00 C ATOM 1065 C GLN A 68 -3.019 -10.595 10.918 1.00 0.00 C ATOM 1066 O GLN A 68 -2.540 -10.264 12.002 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.466 -11.708 9.311 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.916 -13.064 8.868 1.00 0.00 C ATOM 1069 CD GLN A 68 0.202 -12.866 7.852 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -0.033 -12.341 6.763 1.00 0.00 O ATOM 1071 NE2 GLN A 68 1.413 -13.257 8.142 1.00 0.00 N ATOM 0 H GLN A 68 -3.655 -12.541 8.539 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.346 -12.624 11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.791 -11.134 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.684 -11.129 9.801 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.541 -13.613 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.714 -13.664 8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.606 -13.692 9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.166 -13.128 7.466 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.881 -9.837 10.247 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.312 -8.546 10.770 1.00 0.00 C ATOM 1082 C ALA A 69 -5.221 -8.733 11.982 1.00 0.00 C ATOM 1083 O ALA A 69 -5.143 -7.982 12.950 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.063 -7.772 9.685 1.00 0.00 C ATOM 0 H ALA A 69 -4.291 -10.091 9.348 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.429 -7.985 11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.383 -6.808 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.405 -7.613 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.937 -8.343 9.370 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.084 -9.738 11.916 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.005 -10.020 13.013 1.00 0.00 C ATOM 1092 C LEU A 70 -6.241 -10.476 14.250 1.00 0.00 C ATOM 1093 O LEU A 70 -6.599 -10.132 15.376 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.004 -11.097 12.593 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.862 -10.577 11.431 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.742 -11.714 10.905 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.746 -9.396 11.890 1.00 0.00 C ATOM 0 H LEU A 70 -6.167 -10.370 11.119 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.545 -9.105 13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.475 -12.001 12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.640 -11.366 13.436 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.205 -10.223 10.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.353 -11.349 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.111 -12.531 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.390 -12.073 11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.346 -9.043 11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.405 -9.725 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.112 -8.585 12.250 1.00 0.00 H new ATOM 1109 N THR A 71 -5.191 -11.259 14.030 1.00 0.00 N ATOM 1110 CA THR A 71 -4.382 -11.772 15.130 1.00 0.00 C ATOM 1111 C THR A 71 -3.777 -10.630 15.938 1.00 0.00 C ATOM 1112 O THR A 71 -3.577 -10.749 17.145 1.00 0.00 O ATOM 1113 CB THR A 71 -3.262 -12.662 14.587 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.798 -13.555 13.621 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.645 -13.460 15.736 1.00 0.00 C ATOM 0 H THR A 71 -4.881 -11.552 13.104 1.00 0.00 H new ATOM 0 HA THR A 71 -5.030 -12.358 15.783 1.00 0.00 H new ATOM 0 HB THR A 71 -2.494 -12.043 14.123 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.827 -13.112 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.847 -14.095 15.351 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.237 -12.773 16.478 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.411 -14.082 16.200 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.486 -9.524 15.266 1.00 0.00 N ATOM 1124 CA GLN A 72 -2.902 -8.368 15.935 1.00 0.00 C ATOM 1125 C GLN A 72 -3.843 -7.833 17.010 1.00 0.00 C ATOM 1126 O GLN A 72 -3.403 -7.434 18.087 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.620 -7.269 14.911 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.484 -7.706 13.981 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.175 -7.783 14.758 1.00 0.00 C ATOM 1130 OE1 GLN A 72 0.185 -6.841 15.466 1.00 0.00 O ATOM 1131 NE2 GLN A 72 0.565 -8.854 14.671 1.00 0.00 N ATOM 0 H GLN A 72 -3.643 -9.402 14.266 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.971 -8.677 16.409 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.519 -7.061 14.330 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.350 -6.345 15.421 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.714 -8.677 13.543 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.386 -7.000 13.156 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.267 -9.634 14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.442 -8.912 15.189 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.134 -7.825 16.711 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.123 -7.331 17.661 1.00 0.00 C ATOM 1142 C LEU A 73 -6.133 -8.194 18.912 1.00 0.00 C ATOM 1143 O LEU A 73 -6.237 -7.689 20.029 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.514 -7.336 17.009 1.00 0.00 C ATOM 1145 CG LEU A 73 -7.682 -6.075 16.145 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -7.757 -4.805 17.033 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -6.492 -5.972 15.171 1.00 0.00 C ATOM 0 H LEU A 73 -5.520 -8.152 15.825 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.861 -6.312 17.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.636 -8.229 16.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.287 -7.369 17.777 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.613 -6.148 15.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.876 -3.925 16.400 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.608 -4.883 17.709 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.840 -4.713 17.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.603 -5.080 14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.563 -5.908 15.737 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.468 -6.855 14.532 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.027 -9.495 18.722 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.033 -10.404 19.849 1.00 0.00 C ATOM 1161 C LYS A 74 -4.883 -10.095 20.801 1.00 0.00 C ATOM 1162 O LYS A 74 -5.084 -9.961 22.007 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.903 -11.839 19.348 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.846 -12.820 20.549 1.00 0.00 C ATOM 1165 CD LYS A 74 -4.398 -13.275 20.814 1.00 0.00 C ATOM 1166 CE LYS A 74 -4.049 -14.451 19.890 1.00 0.00 C ATOM 1167 NZ LYS A 74 -4.757 -14.289 18.585 1.00 0.00 N ATOM 0 H LYS A 74 -5.937 -9.941 17.809 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.973 -10.281 20.387 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.749 -12.086 18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.003 -11.941 18.742 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.249 -12.337 21.439 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.474 -13.688 20.346 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.709 -12.448 20.642 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.285 -13.573 21.856 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.972 -14.493 19.728 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.338 -15.392 20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.494 -15.068 17.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.785 -14.304 18.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.486 -13.382 18.153 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.679 -9.978 20.251 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.506 -9.677 21.064 1.00 0.00 C ATOM 1183 C GLU A 75 -2.578 -8.252 21.604 1.00 0.00 C ATOM 1184 O GLU A 75 -2.211 -7.991 22.749 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.234 -9.847 20.234 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.057 -11.323 19.874 1.00 0.00 C ATOM 1187 CD GLU A 75 0.196 -11.507 19.025 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.094 -11.371 17.818 1.00 0.00 O ATOM 1189 OE2 GLU A 75 1.239 -11.779 19.596 1.00 0.00 O ATOM 0 H GLU A 75 -3.490 -10.086 19.254 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.484 -10.371 21.904 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.295 -9.245 19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.370 -9.492 20.795 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.982 -11.921 20.782 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.931 -11.680 19.329 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.045 -7.331 20.763 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.149 -5.933 21.161 1.00 0.00 C ATOM 1198 C GLN A 76 -4.160 -5.766 22.291 1.00 0.00 C ATOM 1199 O GLN A 76 -3.857 -5.160 23.320 1.00 0.00 O ATOM 1200 CB GLN A 76 -3.573 -5.082 19.962 1.00 0.00 C ATOM 1201 CG GLN A 76 -3.465 -3.598 20.321 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.634 -2.749 19.066 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.736 -1.986 18.709 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -4.732 -2.840 18.367 1.00 0.00 N ATOM 0 H GLN A 76 -3.354 -7.527 19.811 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.173 -5.603 21.516 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.940 -5.306 19.103 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.597 -5.324 19.676 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.228 -3.335 21.054 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.498 -3.395 20.781 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.475 -3.473 18.664 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.847 -2.279 17.523 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.360 -6.305 22.098 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.398 -6.205 23.114 1.00 0.00 C ATOM 1215 C VAL A 77 -5.940 -6.869 24.411 1.00 0.00 C ATOM 1216 O VAL A 77 -6.067 -6.294 25.491 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.678 -6.884 22.608 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.700 -6.974 23.745 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.267 -6.066 21.457 1.00 0.00 C ATOM 0 H VAL A 77 -5.634 -6.810 21.256 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.597 -5.152 23.313 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.439 -7.888 22.258 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.607 -7.457 23.381 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.282 -7.558 24.565 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.939 -5.971 24.099 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.176 -6.547 21.097 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.503 -5.061 21.808 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.542 -6.006 20.645 1.00 0.00 H new ATOM 1229 N THR A 78 -5.403 -8.079 24.295 1.00 0.00 N ATOM 1230 CA THR A 78 -4.930 -8.808 25.465 1.00 0.00 C ATOM 1231 C THR A 78 -3.791 -8.053 26.144 1.00 0.00 C ATOM 1232 O THR A 78 -3.737 -7.959 27.371 1.00 0.00 O ATOM 1233 CB THR A 78 -4.454 -10.201 25.059 1.00 0.00 C ATOM 1234 OG1 THR A 78 -3.586 -10.093 23.940 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.660 -11.070 24.692 1.00 0.00 C ATOM 0 H THR A 78 -5.285 -8.572 23.410 1.00 0.00 H new ATOM 0 HA THR A 78 -5.757 -8.901 26.168 1.00 0.00 H new ATOM 0 HB THR A 78 -3.921 -10.661 25.891 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.067 -10.353 23.127 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.318 -12.064 24.403 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.325 -11.151 25.552 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.197 -10.615 23.860 1.00 0.00 H new ATOM 1243 N SER A 79 -2.883 -7.518 25.335 1.00 0.00 N ATOM 1244 CA SER A 79 -1.745 -6.774 25.860 1.00 0.00 C ATOM 1245 C SER A 79 -2.215 -5.520 26.586 1.00 0.00 C ATOM 1246 O SER A 79 -1.634 -5.120 27.596 1.00 0.00 O ATOM 1247 CB SER A 79 -0.801 -6.385 24.722 1.00 0.00 C ATOM 1248 OG SER A 79 -0.131 -7.548 24.252 1.00 0.00 O ATOM 0 H SER A 79 -2.913 -7.585 24.318 1.00 0.00 H new ATOM 0 HA SER A 79 -1.214 -7.412 26.566 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.362 -5.921 23.911 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.076 -5.649 25.070 1.00 0.00 H new ATOM 0 HG SER A 79 -0.572 -7.874 23.440 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.268 -4.900 26.065 1.00 0.00 N ATOM 1255 CA ALA A 80 -3.803 -3.688 26.672 1.00 0.00 C ATOM 1256 C ALA A 80 -4.169 -3.933 28.130 1.00 0.00 C ATOM 1257 O ALA A 80 -3.827 -3.140 29.007 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.042 -3.223 25.901 1.00 0.00 C ATOM 0 H ALA A 80 -3.764 -5.214 25.231 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.037 -2.914 26.630 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.437 -2.317 26.360 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.770 -3.017 24.866 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.802 -4.004 25.928 1.00 0.00 H new ATOM 1264 N LEU A 81 -4.863 -5.034 28.384 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.268 -5.374 29.743 1.00 0.00 C ATOM 1266 C LEU A 81 -4.050 -5.696 30.599 1.00 0.00 C ATOM 1267 O LEU A 81 -4.058 -5.479 31.811 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.206 -6.577 29.712 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.435 -6.243 28.858 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.316 -7.493 28.729 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.249 -5.103 29.506 1.00 0.00 C ATOM 0 H LEU A 81 -5.156 -5.704 27.673 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.784 -4.518 30.178 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.689 -7.444 29.302 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.513 -6.839 30.725 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.104 -5.919 27.872 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.191 -7.260 28.122 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.747 -8.292 28.253 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.636 -7.816 29.719 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.118 -4.879 28.887 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.580 -5.411 30.498 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.625 -4.213 29.592 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.006 -6.216 29.963 1.00 0.00 N ATOM 1284 CA GLY A 82 -1.784 -6.566 30.680 1.00 0.00 C ATOM 1285 C GLY A 82 -1.898 -7.952 31.305 1.00 0.00 C ATOM 1286 O GLY A 82 -1.137 -8.300 32.208 1.00 0.00 O ATOM 0 H GLY A 82 -2.980 -6.404 28.961 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.936 -6.540 29.996 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.589 -5.827 31.457 1.00 0.00 H new ATOM 1290 N LEU A 83 -2.853 -8.738 30.822 1.00 0.00 N ATOM 1291 CA LEU A 83 -3.061 -10.082 31.350 1.00 0.00 C ATOM 1292 C LEU A 83 -1.860 -10.966 31.050 1.00 0.00 C ATOM 1293 O LEU A 83 -1.424 -11.741 31.901 1.00 0.00 O ATOM 1294 CB LEU A 83 -4.315 -10.697 30.725 1.00 0.00 C ATOM 1295 CG LEU A 83 -5.563 -9.959 31.236 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -6.778 -10.380 30.403 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.817 -10.278 32.729 1.00 0.00 C ATOM 0 H LEU A 83 -3.491 -8.472 30.072 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.187 -10.013 32.431 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.261 -10.631 29.638 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.377 -11.755 30.978 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.401 -8.886 31.137 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.665 -9.858 30.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.607 -10.126 29.357 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.928 -11.456 30.496 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.705 -9.745 33.069 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.969 -11.350 32.851 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.957 -9.964 33.320 1.00 0.00 H new ATOM 1309 N GLU A 84 -1.330 -10.841 29.841 1.00 0.00 N ATOM 1310 CA GLU A 84 -0.176 -11.633 29.436 1.00 0.00 C ATOM 1311 C GLU A 84 -0.493 -13.122 29.533 1.00 0.00 C ATOM 1312 O GLU A 84 -1.249 -13.551 30.405 1.00 0.00 O ATOM 1313 CB GLU A 84 1.024 -11.302 30.330 1.00 0.00 C ATOM 1314 CG GLU A 84 2.291 -11.948 29.761 1.00 0.00 C ATOM 1315 CD GLU A 84 2.695 -11.250 28.468 1.00 0.00 C ATOM 1316 OE1 GLU A 84 2.098 -10.233 28.155 1.00 0.00 O ATOM 1317 OE2 GLU A 84 3.601 -11.738 27.812 1.00 0.00 O ATOM 0 H GLU A 84 -1.678 -10.202 29.126 1.00 0.00 H new ATOM 0 HA GLU A 84 0.067 -11.391 28.401 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.154 -10.222 30.395 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.845 -11.663 31.343 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.101 -11.882 30.488 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.116 -13.007 29.573 1.00 0.00 H new ATOM 1324 N HIS A 85 0.091 -13.905 28.631 1.00 0.00 N ATOM 1325 CA HIS A 85 -0.133 -15.344 28.623 1.00 0.00 C ATOM 1326 C HIS A 85 -1.614 -15.656 28.447 1.00 0.00 C ATOM 1327 O HIS A 85 -2.476 -14.912 28.916 1.00 0.00 O ATOM 1328 CB HIS A 85 0.369 -15.958 29.934 1.00 0.00 C ATOM 1329 CG HIS A 85 0.385 -17.456 29.813 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -0.763 -18.221 29.944 1.00 0.00 N ATOM 1331 CD2 HIS A 85 1.402 -18.346 29.574 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -0.413 -19.509 29.785 1.00 0.00 C ATOM 1333 NE2 HIS A 85 0.896 -19.642 29.557 1.00 0.00 N ATOM 0 H HIS A 85 0.719 -13.569 27.901 1.00 0.00 H new ATOM 0 HA HIS A 85 0.418 -15.773 27.786 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.370 -15.590 30.160 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.276 -15.656 30.759 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.438 -18.081 29.422 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.106 -20.336 29.836 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.414 -20.507 29.403 1.00 0.00 H new ATOM 1341 N HIS A 86 -1.903 -16.760 27.769 1.00 0.00 N ATOM 1342 CA HIS A 86 -3.286 -17.160 27.536 1.00 0.00 C ATOM 1343 C HIS A 86 -4.019 -17.354 28.857 1.00 0.00 C ATOM 1344 O HIS A 86 -4.660 -16.432 29.365 1.00 0.00 O ATOM 1345 CB HIS A 86 -3.325 -18.461 26.732 1.00 0.00 C ATOM 1346 CG HIS A 86 -4.755 -18.873 26.515 1.00 0.00 C ATOM 1347 ND1 HIS A 86 -5.491 -19.528 27.489 1.00 0.00 N ATOM 1348 CD2 HIS A 86 -5.599 -18.730 25.441 1.00 0.00 C ATOM 1349 CE1 HIS A 86 -6.719 -19.754 26.988 1.00 0.00 C ATOM 1350 NE2 HIS A 86 -6.839 -19.287 25.742 1.00 0.00 N ATOM 0 H HIS A 86 -1.205 -17.390 27.374 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.782 -16.370 26.973 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.825 -18.324 25.773 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.786 -19.246 27.263 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.340 -18.257 24.505 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.511 -20.252 27.527 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -7.662 -19.329 25.141 1.00 0.00 H new ATOM 1358 N HIS A 87 -3.921 -18.557 29.412 1.00 0.00 N ATOM 1359 CA HIS A 87 -4.580 -18.865 30.676 1.00 0.00 C ATOM 1360 C HIS A 87 -6.000 -18.303 30.693 1.00 0.00 C ATOM 1361 O HIS A 87 -6.657 -18.219 29.655 1.00 0.00 O ATOM 1362 CB HIS A 87 -3.775 -18.274 31.843 1.00 0.00 C ATOM 1363 CG HIS A 87 -4.132 -18.988 33.119 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.159 -19.841 33.433 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -3.374 -18.867 34.272 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -5.046 -20.244 34.759 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -3.953 -19.628 35.220 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.394 -19.332 29.009 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.632 -19.948 30.784 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.707 -18.371 31.647 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.985 -17.209 31.940 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.481 -18.271 34.389 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.701 -20.911 35.300 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.601 -19.723 36.173 1.00 0.00 H new ATOM 1375 N HIS A 88 -6.466 -17.919 31.878 1.00 0.00 N ATOM 1376 CA HIS A 88 -7.808 -17.364 32.018 1.00 0.00 C ATOM 1377 C HIS A 88 -8.809 -18.161 31.188 1.00 0.00 C ATOM 1378 O HIS A 88 -9.588 -17.592 30.422 1.00 0.00 O ATOM 1379 CB HIS A 88 -7.816 -15.902 31.569 1.00 0.00 C ATOM 1380 CG HIS A 88 -7.068 -15.064 32.568 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -5.685 -14.983 32.579 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -7.498 -14.262 33.597 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -5.334 -14.161 33.585 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -6.401 -13.694 34.238 1.00 0.00 N ATOM 0 H HIS A 88 -5.939 -17.981 32.749 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.098 -17.423 33.067 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -7.356 -15.811 30.585 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.842 -15.545 31.475 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.531 -14.097 33.868 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.314 -13.910 33.834 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.410 -13.058 35.035 1.00 0.00 H new ATOM 1392 N HIS A 89 -8.781 -19.481 31.343 1.00 0.00 N ATOM 1393 CA HIS A 89 -9.689 -20.346 30.600 1.00 0.00 C ATOM 1394 C HIS A 89 -11.138 -19.991 30.914 1.00 0.00 C ATOM 1395 O HIS A 89 -11.971 -19.892 30.013 1.00 0.00 O ATOM 1396 CB HIS A 89 -9.430 -21.808 30.964 1.00 0.00 C ATOM 1397 CG HIS A 89 -10.368 -22.692 30.189 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -10.166 -22.992 28.851 1.00 0.00 N ATOM 1399 CD2 HIS A 89 -11.521 -23.346 30.550 1.00 0.00 C ATOM 1400 CE1 HIS A 89 -11.173 -23.794 28.459 1.00 0.00 C ATOM 1401 NE2 HIS A 89 -12.027 -24.041 29.456 1.00 0.00 N ATOM 0 H HIS A 89 -8.145 -19.971 31.971 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.512 -20.201 29.534 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.396 -22.072 30.740 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -9.573 -21.958 32.034 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.967 -23.324 31.533 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.278 -24.190 27.460 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.869 -24.616 29.422 1.00 0.00 H new ATOM 1409 N HIS A 90 -11.432 -19.801 32.196 1.00 0.00 N ATOM 1410 CA HIS A 90 -12.786 -19.457 32.614 1.00 0.00 C ATOM 1411 C HIS A 90 -13.080 -17.989 32.321 1.00 0.00 C ATOM 1412 O HIS A 90 -13.899 -17.731 31.455 1.00 0.00 O ATOM 1413 CB HIS A 90 -12.954 -19.724 34.111 1.00 0.00 C ATOM 1414 CG HIS A 90 -14.342 -19.336 34.538 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -15.455 -20.098 34.215 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -14.817 -18.269 35.261 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -16.533 -19.485 34.739 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -16.200 -18.366 35.387 1.00 0.00 N ATOM 1419 OXT HIS A 90 -12.482 -17.145 32.969 1.00 0.00 O ATOM 0 H HIS A 90 -10.758 -19.878 32.957 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.487 -20.075 32.054 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.778 -20.778 34.325 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.216 -19.156 34.677 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.210 -17.475 35.670 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.544 -19.853 34.647 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.825 -17.721 35.871 1.00 0.00 H new TER 1427 HIS A 90