USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 1 ASN :FLIP amide:sc= -0.318 F(o=-15!,f=-6.1) USER MOD Set 1.2: A 1 ASN N :NH3+ 179:sc= 0.982 (180deg=-0.114) USER MOD Set 1.3: A 5 ASN : amide:sc= -6.72! C(o=-6.1!,f=-8.5!) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.7!) USER MOD Single : A 15 ASN : amide:sc= -1.78 K(o=-1.8,f=-8.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -70:sc= 0.823 USER MOD Single : A 31 THR OG1 : rot -122:sc= 0.258 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc=-0.00978 (180deg=-0.31) USER MOD Single : A 35 TYR OH : rot 130:sc= -2.29 USER MOD Single : A 39 SER OG : rot -90:sc= 0.817 USER MOD Single : A 42 MET CE :methyl -156:sc= -0.126 (180deg=-0.611) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 21:sc= 0.401 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.68! F(o=-2.6,f=-1.7!) USER MOD Single : A 55 TYR OH : rot -88:sc= 1.1 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.31 F(o=-5.3!,f=-2.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 2:sc= 0.36 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0032 F(o=-0.81,f=-0.0032) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 73 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-2!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.02 F(o=-2.2!,f=-1) USER MOD Single : A 76 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.3!) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.325) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 94 TYR OH : rot -92:sc= -1.27! USER MOD Single : A 95 MET CE :methyl 141:sc= -0.201 (180deg=-1.16) USER MOD Single : A 98 ASN :FLIP amide:sc= -1.92! C(o=-4!,f=-1.9!) USER MOD Single : A 99 ASN : amide:sc= -5.96! C(o=-6!,f=-6.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.428 -3.010 -7.942 1.00 0.00 N ATOM 2 CA ASN A 1 -19.177 -1.801 -7.495 1.00 0.00 C ATOM 3 C ASN A 1 -20.650 -2.163 -7.288 1.00 0.00 C ATOM 4 O ASN A 1 -21.451 -1.339 -6.894 1.00 0.00 O ATOM 5 CB ASN A 1 -19.064 -0.707 -8.561 1.00 0.00 C ATOM 6 CG ASN A 1 -17.598 -0.526 -8.958 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.669 -1.146 -8.284 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -17.294 0.188 -9.893 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -17.430 -2.762 -8.099 1.00 0.00 H new ATOM 0 H2 ASN A 1 -18.490 -3.747 -7.211 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.840 -3.366 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 1 -18.756 -1.438 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -19.657 -0.975 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -19.466 0.231 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.019 0.673 -10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.313 0.302 -10.150 1.00 0.00 H new ATOM 17 N GLN A 2 -21.013 -3.388 -7.553 1.00 0.00 N ATOM 18 CA GLN A 2 -22.436 -3.802 -7.373 1.00 0.00 C ATOM 19 C GLN A 2 -22.731 -3.987 -5.883 1.00 0.00 C ATOM 20 O GLN A 2 -23.064 -5.066 -5.436 1.00 0.00 O ATOM 21 CB GLN A 2 -22.678 -5.122 -8.108 1.00 0.00 C ATOM 22 CG GLN A 2 -22.357 -4.945 -9.594 1.00 0.00 C ATOM 23 CD GLN A 2 -22.550 -6.278 -10.321 1.00 0.00 C ATOM 24 OE1 GLN A 2 -22.702 -7.371 -9.625 1.00 0.00 O flip ATOM 25 NE2 GLN A 2 -22.561 -6.324 -11.535 1.00 0.00 N flip ATOM 0 H GLN A 2 -20.387 -4.121 -7.886 1.00 0.00 H new ATOM 0 HA GLN A 2 -23.092 -3.032 -7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -22.054 -5.908 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -23.715 -5.435 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -23.005 -4.184 -10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.331 -4.597 -9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -22.442 -5.469 -12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -22.689 -7.217 -12.010 1.00 0.00 H new ATOM 34 N GLY A 3 -22.616 -2.940 -5.111 1.00 0.00 N ATOM 35 CA GLY A 3 -22.892 -3.056 -3.651 1.00 0.00 C ATOM 36 C GLY A 3 -21.739 -3.792 -2.966 1.00 0.00 C ATOM 37 O GLY A 3 -21.880 -4.303 -1.873 1.00 0.00 O ATOM 0 H GLY A 3 -22.343 -2.010 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -23.014 -2.065 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.827 -3.593 -3.489 1.00 0.00 H new ATOM 41 N ASP A 4 -20.600 -3.852 -3.599 1.00 0.00 N ATOM 42 CA ASP A 4 -19.441 -4.555 -2.982 1.00 0.00 C ATOM 43 C ASP A 4 -18.179 -4.274 -3.801 1.00 0.00 C ATOM 44 O ASP A 4 -18.244 -3.978 -4.978 1.00 0.00 O ATOM 45 CB ASP A 4 -19.711 -6.061 -2.963 1.00 0.00 C ATOM 46 CG ASP A 4 -18.536 -6.782 -2.298 1.00 0.00 C ATOM 47 OD1 ASP A 4 -17.876 -6.166 -1.479 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.318 -7.939 -2.619 1.00 0.00 O ATOM 0 H ASP A 4 -20.422 -3.444 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.299 -4.197 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.633 -6.269 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.849 -6.429 -3.980 1.00 0.00 H new ATOM 53 N ASN A 5 -17.027 -4.365 -3.188 1.00 0.00 N ATOM 54 CA ASN A 5 -15.757 -4.103 -3.926 1.00 0.00 C ATOM 55 C ASN A 5 -14.606 -4.813 -3.209 1.00 0.00 C ATOM 56 O ASN A 5 -14.324 -4.550 -2.055 1.00 0.00 O ATOM 57 CB ASN A 5 -15.486 -2.598 -3.958 1.00 0.00 C ATOM 58 CG ASN A 5 -16.614 -1.891 -4.710 1.00 0.00 C ATOM 59 OD1 ASN A 5 -16.483 -1.585 -5.878 1.00 0.00 O ATOM 60 ND2 ASN A 5 -17.727 -1.616 -4.085 1.00 0.00 N ATOM 0 H ASN A 5 -16.912 -4.610 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.841 -4.476 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.413 -2.210 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.531 -2.400 -4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -18.486 -1.145 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -17.838 -1.873 -3.104 1.00 0.00 H new ATOM 67 N GLU A 6 -13.942 -5.713 -3.883 1.00 0.00 N ATOM 68 CA GLU A 6 -12.812 -6.442 -3.241 1.00 0.00 C ATOM 69 C GLU A 6 -11.974 -7.146 -4.314 1.00 0.00 C ATOM 70 O GLU A 6 -12.437 -7.404 -5.407 1.00 0.00 O ATOM 71 CB GLU A 6 -13.366 -7.478 -2.251 1.00 0.00 C ATOM 72 CG GLU A 6 -14.322 -8.453 -2.968 1.00 0.00 C ATOM 73 CD GLU A 6 -13.521 -9.517 -3.727 1.00 0.00 C ATOM 74 OE1 GLU A 6 -12.657 -10.125 -3.117 1.00 0.00 O ATOM 75 OE2 GLU A 6 -13.787 -9.704 -4.903 1.00 0.00 O ATOM 0 H GLU A 6 -14.134 -5.974 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.182 -5.732 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.544 -8.032 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.893 -6.971 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.978 -8.931 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.960 -7.905 -3.661 1.00 0.00 H new ATOM 82 N ILE A 7 -10.742 -7.459 -4.005 1.00 0.00 N ATOM 83 CA ILE A 7 -9.856 -8.149 -4.994 1.00 0.00 C ATOM 84 C ILE A 7 -8.855 -9.027 -4.237 1.00 0.00 C ATOM 85 O ILE A 7 -8.667 -8.882 -3.045 1.00 0.00 O ATOM 86 CB ILE A 7 -9.107 -7.111 -5.841 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.340 -6.156 -4.922 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.111 -6.319 -6.687 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.650 -5.071 -5.757 1.00 0.00 C ATOM 0 H ILE A 7 -10.307 -7.265 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.460 -8.769 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.403 -7.620 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.024 -5.698 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.599 -6.709 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.579 -5.582 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.651 -7.001 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.818 -5.810 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.106 -4.395 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.953 -5.536 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.400 -4.509 -6.314 1.00 0.00 H new ATOM 101 N SER A 8 -8.216 -9.945 -4.923 1.00 0.00 N ATOM 102 CA SER A 8 -7.223 -10.853 -4.259 1.00 0.00 C ATOM 103 C SER A 8 -5.992 -10.991 -5.150 1.00 0.00 C ATOM 104 O SER A 8 -6.071 -10.904 -6.360 1.00 0.00 O ATOM 105 CB SER A 8 -7.856 -12.230 -4.056 1.00 0.00 C ATOM 106 OG SER A 8 -6.858 -13.147 -3.630 1.00 0.00 O ATOM 0 H SER A 8 -8.340 -10.106 -5.923 1.00 0.00 H new ATOM 0 HA SER A 8 -6.933 -10.437 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.653 -12.171 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.310 -12.575 -4.985 1.00 0.00 H new ATOM 0 HG SER A 8 -7.261 -14.030 -3.497 1.00 0.00 H new ATOM 112 N VAL A 9 -4.849 -11.208 -4.554 1.00 0.00 N ATOM 113 CA VAL A 9 -3.588 -11.357 -5.346 1.00 0.00 C ATOM 114 C VAL A 9 -2.712 -12.416 -4.681 1.00 0.00 C ATOM 115 O VAL A 9 -1.956 -12.131 -3.773 1.00 0.00 O ATOM 116 CB VAL A 9 -2.842 -10.022 -5.372 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.588 -10.153 -6.239 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.754 -8.941 -5.957 1.00 0.00 C ATOM 0 H VAL A 9 -4.732 -11.289 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.824 -11.657 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.554 -9.747 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.057 -9.201 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.938 -10.923 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.875 -10.428 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.224 -7.989 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.041 -9.217 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.648 -8.846 -5.340 1.00 0.00 H new ATOM 128 N GLY A 10 -2.815 -13.640 -5.117 1.00 0.00 N ATOM 129 CA GLY A 10 -1.995 -14.718 -4.501 1.00 0.00 C ATOM 130 C GLY A 10 -2.543 -15.026 -3.108 1.00 0.00 C ATOM 131 O GLY A 10 -3.602 -15.603 -2.963 1.00 0.00 O ATOM 0 H GLY A 10 -3.431 -13.940 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.022 -15.613 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.952 -14.407 -4.435 1.00 0.00 H new ATOM 135 N ASN A 11 -1.825 -14.643 -2.079 1.00 0.00 N ATOM 136 CA ASN A 11 -2.284 -14.905 -0.677 1.00 0.00 C ATOM 137 C ASN A 11 -2.806 -13.608 -0.049 1.00 0.00 C ATOM 138 O ASN A 11 -3.149 -13.571 1.119 1.00 0.00 O ATOM 139 CB ASN A 11 -1.102 -15.419 0.146 1.00 0.00 C ATOM 140 CG ASN A 11 -0.578 -16.719 -0.468 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.113 -16.730 -1.591 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.637 -17.823 0.225 1.00 0.00 N ATOM 0 H ASN A 11 -0.932 -14.155 -2.151 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.083 -15.646 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.310 -14.671 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.411 -15.590 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.293 -18.696 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.027 -17.813 1.167 1.00 0.00 H new ATOM 149 N LEU A 12 -2.845 -12.533 -0.805 1.00 0.00 N ATOM 150 CA LEU A 12 -3.323 -11.226 -0.250 1.00 0.00 C ATOM 151 C LEU A 12 -4.794 -11.010 -0.621 1.00 0.00 C ATOM 152 O LEU A 12 -5.131 -10.858 -1.778 1.00 0.00 O ATOM 153 CB LEU A 12 -2.475 -10.089 -0.843 1.00 0.00 C ATOM 154 CG LEU A 12 -0.999 -10.499 -0.880 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.157 -9.316 -1.364 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.538 -10.914 0.522 1.00 0.00 C ATOM 0 H LEU A 12 -2.565 -12.506 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.226 -11.235 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.821 -9.854 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.595 -9.185 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.876 -11.341 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.894 -9.604 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.480 -9.025 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.285 -8.475 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.512 -11.204 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.661 -10.076 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.137 -11.757 0.867 1.00 0.00 H new ATOM 168 N ARG A 13 -5.666 -10.977 0.358 1.00 0.00 N ATOM 169 CA ARG A 13 -7.126 -10.747 0.088 1.00 0.00 C ATOM 170 C ARG A 13 -7.485 -9.332 0.541 1.00 0.00 C ATOM 171 O ARG A 13 -7.404 -9.010 1.706 1.00 0.00 O ATOM 172 CB ARG A 13 -7.954 -11.766 0.869 1.00 0.00 C ATOM 173 CG ARG A 13 -7.772 -13.153 0.253 1.00 0.00 C ATOM 174 CD ARG A 13 -8.468 -14.196 1.130 1.00 0.00 C ATOM 175 NE ARG A 13 -8.391 -15.531 0.470 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.138 -15.790 -0.569 1.00 0.00 C ATOM 177 NH1 ARG A 13 -9.954 -14.882 -1.031 1.00 0.00 N ATOM 178 NH2 ARG A 13 -9.069 -16.959 -1.146 1.00 0.00 N ATOM 0 H ARG A 13 -5.429 -11.100 1.342 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.336 -10.861 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.644 -11.777 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.007 -11.484 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.188 -13.173 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.711 -13.387 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.995 -14.236 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.509 -13.917 1.289 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.755 -16.242 0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.009 -13.969 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.537 -15.086 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.432 -17.669 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.652 -17.162 -1.958 1.00 0.00 H new ATOM 192 N LEU A 14 -7.868 -8.479 -0.382 1.00 0.00 N ATOM 193 CA LEU A 14 -8.224 -7.062 -0.028 1.00 0.00 C ATOM 194 C LEU A 14 -9.746 -6.882 -0.066 1.00 0.00 C ATOM 195 O LEU A 14 -10.417 -7.367 -0.955 1.00 0.00 O ATOM 196 CB LEU A 14 -7.582 -6.102 -1.043 1.00 0.00 C ATOM 197 CG LEU A 14 -6.066 -5.970 -0.788 1.00 0.00 C ATOM 198 CD1 LEU A 14 -5.333 -7.263 -1.187 1.00 0.00 C ATOM 199 CD2 LEU A 14 -5.518 -4.797 -1.612 1.00 0.00 C ATOM 0 H LEU A 14 -7.950 -8.704 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.856 -6.843 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.755 -6.467 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.054 -5.122 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.901 -5.792 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.265 -7.149 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.718 -8.096 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.496 -7.461 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.447 -4.698 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.697 -4.982 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.021 -3.877 -1.314 1.00 0.00 H new ATOM 211 N ASN A 15 -10.285 -6.170 0.895 1.00 0.00 N ATOM 212 CA ASN A 15 -11.766 -5.920 0.938 1.00 0.00 C ATOM 213 C ASN A 15 -12.023 -4.449 1.283 1.00 0.00 C ATOM 214 O ASN A 15 -11.922 -4.040 2.422 1.00 0.00 O ATOM 215 CB ASN A 15 -12.406 -6.818 2.001 1.00 0.00 C ATOM 216 CG ASN A 15 -12.430 -8.264 1.502 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.456 -8.750 0.963 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.513 -8.978 1.658 1.00 0.00 N ATOM 0 H ASN A 15 -9.759 -5.746 1.660 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.203 -6.146 -0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.844 -6.753 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.420 -6.480 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.540 -9.943 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.331 -8.571 2.111 1.00 0.00 H new ATOM 225 N VAL A 16 -12.347 -3.650 0.301 1.00 0.00 N ATOM 226 CA VAL A 16 -12.603 -2.203 0.554 1.00 0.00 C ATOM 227 C VAL A 16 -13.983 -2.023 1.183 1.00 0.00 C ATOM 228 O VAL A 16 -14.220 -1.093 1.929 1.00 0.00 O ATOM 229 CB VAL A 16 -12.556 -1.449 -0.778 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.531 0.059 -0.516 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.297 -1.854 -1.549 1.00 0.00 C ATOM 0 H VAL A 16 -12.446 -3.940 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.844 -1.813 1.233 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.440 -1.698 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.498 0.593 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.428 0.348 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.649 0.311 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.263 -1.318 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.414 -1.606 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.316 -2.927 -1.740 1.00 0.00 H new ATOM 241 N THR A 17 -14.894 -2.903 0.890 1.00 0.00 N ATOM 242 CA THR A 17 -16.262 -2.783 1.469 1.00 0.00 C ATOM 243 C THR A 17 -16.161 -2.735 2.997 1.00 0.00 C ATOM 244 O THR A 17 -16.658 -1.825 3.632 1.00 0.00 O ATOM 245 CB THR A 17 -17.119 -3.993 1.035 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.034 -4.326 2.071 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.220 -5.204 0.744 1.00 0.00 C ATOM 0 H THR A 17 -14.753 -3.703 0.273 1.00 0.00 H new ATOM 0 HA THR A 17 -16.733 -1.869 1.109 1.00 0.00 H new ATOM 0 HB THR A 17 -17.667 -3.729 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.578 -5.093 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.836 -6.050 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.523 -4.956 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.662 -5.467 1.642 1.00 0.00 H new ATOM 255 N ARG A 18 -15.516 -3.704 3.595 1.00 0.00 N ATOM 256 CA ARG A 18 -15.372 -3.717 5.084 1.00 0.00 C ATOM 257 C ARG A 18 -14.044 -3.055 5.453 1.00 0.00 C ATOM 258 O ARG A 18 -13.770 -2.779 6.604 1.00 0.00 O ATOM 259 CB ARG A 18 -15.394 -5.170 5.582 1.00 0.00 C ATOM 260 CG ARG A 18 -14.644 -6.063 4.594 1.00 0.00 C ATOM 261 CD ARG A 18 -14.452 -7.456 5.198 1.00 0.00 C ATOM 262 NE ARG A 18 -15.728 -7.914 5.821 1.00 0.00 N ATOM 263 CZ ARG A 18 -15.887 -9.172 6.136 1.00 0.00 C ATOM 264 NH1 ARG A 18 -14.931 -10.029 5.906 1.00 0.00 N ATOM 265 NH2 ARG A 18 -17.004 -9.571 6.679 1.00 0.00 N ATOM 0 H ARG A 18 -15.080 -4.491 3.114 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.193 -3.171 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.933 -5.234 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.423 -5.513 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.201 -6.135 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.676 -5.623 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.141 -8.158 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.659 -7.433 5.945 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.476 -7.245 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.058 -9.717 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.056 -11.011 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.752 -8.901 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.129 -10.553 6.925 1.00 0.00 H new ATOM 279 N ARG A 19 -13.229 -2.796 4.471 1.00 0.00 N ATOM 280 CA ARG A 19 -11.912 -2.139 4.723 1.00 0.00 C ATOM 281 C ARG A 19 -11.031 -3.045 5.595 1.00 0.00 C ATOM 282 O ARG A 19 -10.890 -2.835 6.784 1.00 0.00 O ATOM 283 CB ARG A 19 -12.146 -0.784 5.427 1.00 0.00 C ATOM 284 CG ARG A 19 -10.924 0.149 5.236 1.00 0.00 C ATOM 285 CD ARG A 19 -11.016 0.899 3.898 1.00 0.00 C ATOM 286 NE ARG A 19 -9.949 1.938 3.845 1.00 0.00 N ATOM 287 CZ ARG A 19 -10.058 3.023 4.563 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.102 3.201 5.325 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.120 3.931 4.520 1.00 0.00 N ATOM 0 H ARG A 19 -13.419 -3.013 3.493 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.402 -1.969 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.040 -0.308 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.323 -0.946 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.875 0.865 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.005 -0.436 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.903 0.202 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.997 1.362 3.794 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.133 1.801 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.834 2.492 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.186 4.049 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.303 3.792 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.205 4.779 5.081 1.00 0.00 H new ATOM 303 N LEU A 20 -10.433 -4.049 5.012 1.00 0.00 N ATOM 304 CA LEU A 20 -9.562 -4.962 5.799 1.00 0.00 C ATOM 305 C LEU A 20 -8.747 -5.825 4.830 1.00 0.00 C ATOM 306 O LEU A 20 -9.161 -6.066 3.713 1.00 0.00 O ATOM 307 CB LEU A 20 -10.442 -5.848 6.692 1.00 0.00 C ATOM 308 CG LEU A 20 -9.584 -6.824 7.515 1.00 0.00 C ATOM 309 CD1 LEU A 20 -8.617 -6.053 8.435 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.516 -7.700 8.363 1.00 0.00 C ATOM 0 H LEU A 20 -10.512 -4.275 4.021 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.881 -4.390 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.032 -5.223 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.146 -6.407 6.075 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.993 -7.443 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.019 -6.761 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.959 -5.429 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.188 -5.424 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.922 -8.398 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.102 -7.068 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.187 -8.257 7.709 1.00 0.00 H new ATOM 322 N VAL A 21 -7.587 -6.285 5.243 1.00 0.00 N ATOM 323 CA VAL A 21 -6.731 -7.129 4.344 1.00 0.00 C ATOM 324 C VAL A 21 -6.141 -8.300 5.133 1.00 0.00 C ATOM 325 O VAL A 21 -5.853 -8.182 6.308 1.00 0.00 O ATOM 326 CB VAL A 21 -5.580 -6.276 3.799 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.841 -7.053 2.704 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.132 -4.968 3.225 1.00 0.00 C ATOM 0 H VAL A 21 -7.195 -6.111 6.168 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.342 -7.510 3.526 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.887 -6.045 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.023 -6.446 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.442 -7.978 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.533 -7.288 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.310 -4.365 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.829 -5.191 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.650 -4.416 4.010 1.00 0.00 H new ATOM 338 N TRP A 22 -5.944 -9.428 4.484 1.00 0.00 N ATOM 339 CA TRP A 22 -5.352 -10.626 5.170 1.00 0.00 C ATOM 340 C TRP A 22 -4.001 -10.953 4.529 1.00 0.00 C ATOM 341 O TRP A 22 -3.853 -10.934 3.322 1.00 0.00 O ATOM 342 CB TRP A 22 -6.284 -11.830 5.006 1.00 0.00 C ATOM 343 CG TRP A 22 -7.520 -11.624 5.820 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.696 -12.060 7.088 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.751 -10.943 5.445 1.00 0.00 C ATOM 346 NE1 TRP A 22 -8.958 -11.689 7.516 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.646 -10.998 6.540 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.174 -10.288 4.274 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.915 -10.426 6.476 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.451 -9.711 4.208 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.319 -9.780 5.306 1.00 0.00 C ATOM 0 H TRP A 22 -6.170 -9.570 3.500 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.222 -10.408 6.230 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.546 -11.959 3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.776 -12.741 5.322 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.970 -12.608 7.671 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.334 -11.900 8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.513 -10.229 3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.581 -10.482 7.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.767 -9.210 3.305 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.301 -9.333 5.247 1.00 0.00 H new ATOM 362 N LEU A 23 -3.021 -11.260 5.340 1.00 0.00 N ATOM 363 CA LEU A 23 -1.656 -11.607 4.829 1.00 0.00 C ATOM 364 C LEU A 23 -1.410 -13.083 5.127 1.00 0.00 C ATOM 365 O LEU A 23 -1.199 -13.465 6.261 1.00 0.00 O ATOM 366 CB LEU A 23 -0.628 -10.745 5.578 1.00 0.00 C ATOM 367 CG LEU A 23 0.801 -10.998 5.061 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.987 -10.395 3.655 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.799 -10.346 6.030 1.00 0.00 C ATOM 0 H LEU A 23 -3.110 -11.286 6.356 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.571 -11.424 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.879 -9.691 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.675 -10.965 6.645 1.00 0.00 H new ATOM 0 HG LEU A 23 0.973 -12.073 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.003 -10.585 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.277 -10.853 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.812 -9.320 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.815 -10.518 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.609 -9.274 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.682 -10.783 7.022 1.00 0.00 H new ATOM 381 N GLY A 24 -1.464 -13.930 4.138 1.00 0.00 N ATOM 382 CA GLY A 24 -1.263 -15.377 4.414 1.00 0.00 C ATOM 383 C GLY A 24 -2.489 -15.876 5.173 1.00 0.00 C ATOM 384 O GLY A 24 -2.393 -16.653 6.100 1.00 0.00 O ATOM 0 H GLY A 24 -1.636 -13.687 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.137 -15.931 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.359 -15.533 5.002 1.00 0.00 H new ATOM 388 N GLU A 25 -3.641 -15.409 4.773 1.00 0.00 N ATOM 389 CA GLU A 25 -4.914 -15.810 5.437 1.00 0.00 C ATOM 390 C GLU A 25 -4.975 -15.218 6.852 1.00 0.00 C ATOM 391 O GLU A 25 -5.963 -15.368 7.546 1.00 0.00 O ATOM 392 CB GLU A 25 -5.012 -17.348 5.500 1.00 0.00 C ATOM 393 CG GLU A 25 -6.478 -17.775 5.638 1.00 0.00 C ATOM 394 CD GLU A 25 -6.555 -19.296 5.787 1.00 0.00 C ATOM 395 OE1 GLU A 25 -6.094 -19.797 6.799 1.00 0.00 O ATOM 396 OE2 GLU A 25 -7.074 -19.933 4.885 1.00 0.00 O ATOM 0 H GLU A 25 -3.755 -14.754 3.999 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.754 -15.427 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.581 -17.785 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.434 -17.723 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.929 -17.291 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.045 -17.455 4.763 1.00 0.00 H new ATOM 403 N THR A 26 -3.934 -14.541 7.289 1.00 0.00 N ATOM 404 CA THR A 26 -3.944 -13.936 8.666 1.00 0.00 C ATOM 405 C THR A 26 -4.314 -12.457 8.581 1.00 0.00 C ATOM 406 O THR A 26 -3.884 -11.750 7.697 1.00 0.00 O ATOM 407 CB THR A 26 -2.561 -14.066 9.305 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.634 -13.255 8.599 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.104 -15.525 9.265 1.00 0.00 C ATOM 0 H THR A 26 -3.080 -14.381 6.754 1.00 0.00 H new ATOM 0 HA THR A 26 -4.679 -14.465 9.274 1.00 0.00 H new ATOM 0 HB THR A 26 -2.613 -13.738 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.465 -13.645 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.118 -15.610 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.813 -16.144 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.055 -15.863 8.230 1.00 0.00 H new ATOM 417 N ALA A 27 -5.114 -11.986 9.495 1.00 0.00 N ATOM 418 CA ALA A 27 -5.521 -10.553 9.467 1.00 0.00 C ATOM 419 C ALA A 27 -4.318 -9.661 9.778 1.00 0.00 C ATOM 420 O ALA A 27 -3.780 -9.684 10.867 1.00 0.00 O ATOM 421 CB ALA A 27 -6.611 -10.315 10.514 1.00 0.00 C ATOM 0 H ALA A 27 -5.505 -12.532 10.262 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.901 -10.309 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.911 -9.267 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.473 -10.943 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.227 -10.565 11.503 1.00 0.00 H new ATOM 427 N LEU A 28 -3.897 -8.865 8.828 1.00 0.00 N ATOM 428 CA LEU A 28 -2.735 -7.957 9.057 1.00 0.00 C ATOM 429 C LEU A 28 -3.249 -6.661 9.696 1.00 0.00 C ATOM 430 O LEU A 28 -4.289 -6.152 9.330 1.00 0.00 O ATOM 431 CB LEU A 28 -2.069 -7.664 7.703 1.00 0.00 C ATOM 432 CG LEU A 28 -0.621 -7.170 7.894 1.00 0.00 C ATOM 433 CD1 LEU A 28 0.288 -8.294 8.454 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.081 -6.694 6.537 1.00 0.00 C ATOM 0 H LEU A 28 -4.312 -8.806 7.898 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.003 -8.416 9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.071 -8.565 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.646 -6.911 7.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.620 -6.351 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.302 -7.914 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.095 -8.625 9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.297 -9.134 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.943 -6.341 6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.100 -7.521 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.703 -5.881 6.163 1.00 0.00 H new ATOM 446 N ASP A 29 -2.541 -6.133 10.663 1.00 0.00 N ATOM 447 CA ASP A 29 -3.004 -4.880 11.343 1.00 0.00 C ATOM 448 C ASP A 29 -2.376 -3.646 10.691 1.00 0.00 C ATOM 449 O ASP A 29 -1.224 -3.334 10.915 1.00 0.00 O ATOM 450 CB ASP A 29 -2.594 -4.928 12.815 1.00 0.00 C ATOM 451 CG ASP A 29 -1.095 -5.216 12.921 1.00 0.00 C ATOM 452 OD1 ASP A 29 -0.504 -5.564 11.911 1.00 0.00 O ATOM 453 OD2 ASP A 29 -0.564 -5.085 14.011 1.00 0.00 O ATOM 0 H ASP A 29 -1.662 -6.514 11.012 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.088 -4.813 11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.828 -3.980 13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.161 -5.700 13.336 1.00 0.00 H new ATOM 458 N LEU A 30 -3.143 -2.934 9.898 1.00 0.00 N ATOM 459 CA LEU A 30 -2.634 -1.691 9.224 1.00 0.00 C ATOM 460 C LEU A 30 -3.585 -0.535 9.548 1.00 0.00 C ATOM 461 O LEU A 30 -4.789 -0.682 9.507 1.00 0.00 O ATOM 462 CB LEU A 30 -2.547 -1.914 7.701 1.00 0.00 C ATOM 463 CG LEU A 30 -3.942 -2.005 7.047 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.757 -2.264 5.547 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.766 -3.152 7.671 1.00 0.00 C ATOM 0 H LEU A 30 -4.114 -3.163 9.685 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.635 -1.451 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.987 -1.097 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.993 -2.831 7.500 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.479 -1.071 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.733 -2.332 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.190 -1.445 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.216 -3.199 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.745 -3.197 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.245 -4.098 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.890 -2.972 8.739 1.00 0.00 H new ATOM 477 N THR A 31 -3.062 0.609 9.894 1.00 0.00 N ATOM 478 CA THR A 31 -3.959 1.750 10.238 1.00 0.00 C ATOM 479 C THR A 31 -4.795 2.133 9.003 1.00 0.00 C ATOM 480 O THR A 31 -4.357 1.944 7.886 1.00 0.00 O ATOM 481 CB THR A 31 -3.119 2.955 10.679 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.668 3.658 9.530 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.914 2.479 11.493 1.00 0.00 C ATOM 0 H THR A 31 -2.062 0.803 9.953 1.00 0.00 H new ATOM 0 HA THR A 31 -4.621 1.456 11.052 1.00 0.00 H new ATOM 0 HB THR A 31 -3.729 3.614 11.297 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.689 3.705 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.321 3.340 11.803 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.261 1.940 12.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.300 1.817 10.882 1.00 0.00 H new ATOM 491 N PRO A 32 -5.984 2.679 9.184 1.00 0.00 N ATOM 492 CA PRO A 32 -6.844 3.091 8.034 1.00 0.00 C ATOM 493 C PRO A 32 -6.049 3.842 6.957 1.00 0.00 C ATOM 494 O PRO A 32 -6.202 3.604 5.775 1.00 0.00 O ATOM 495 CB PRO A 32 -7.887 4.019 8.680 1.00 0.00 C ATOM 496 CG PRO A 32 -8.026 3.516 10.082 1.00 0.00 C ATOM 497 CD PRO A 32 -6.646 2.960 10.480 1.00 0.00 C ATOM 0 HA PRO A 32 -7.280 2.234 7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.557 5.058 8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.838 3.977 8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.331 4.318 10.754 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.790 2.741 10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.080 3.682 11.069 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.739 2.058 11.085 1.00 0.00 H new ATOM 505 N LYS A 33 -5.206 4.752 7.361 1.00 0.00 N ATOM 506 CA LYS A 33 -4.407 5.525 6.371 1.00 0.00 C ATOM 507 C LYS A 33 -3.661 4.561 5.445 1.00 0.00 C ATOM 508 O LYS A 33 -3.716 4.681 4.239 1.00 0.00 O ATOM 509 CB LYS A 33 -3.395 6.405 7.108 1.00 0.00 C ATOM 510 CG LYS A 33 -4.137 7.439 7.956 1.00 0.00 C ATOM 511 CD LYS A 33 -3.133 8.205 8.821 1.00 0.00 C ATOM 512 CE LYS A 33 -3.852 9.338 9.558 1.00 0.00 C ATOM 513 NZ LYS A 33 -4.855 8.761 10.497 1.00 0.00 N ATOM 0 H LYS A 33 -5.036 4.994 8.337 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.075 6.151 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.757 5.790 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.744 6.907 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.681 8.131 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.875 6.945 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.665 7.530 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.336 8.611 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.131 9.945 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.344 9.997 8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.172 9.496 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.671 8.406 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.423 7.978 11.028 1.00 0.00 H new ATOM 527 N GLU A 34 -2.963 3.610 6.000 1.00 0.00 N ATOM 528 CA GLU A 34 -2.210 2.644 5.149 1.00 0.00 C ATOM 529 C GLU A 34 -3.166 2.008 4.133 1.00 0.00 C ATOM 530 O GLU A 34 -2.828 1.828 2.980 1.00 0.00 O ATOM 531 CB GLU A 34 -1.590 1.552 6.041 1.00 0.00 C ATOM 532 CG GLU A 34 -0.288 2.060 6.674 1.00 0.00 C ATOM 533 CD GLU A 34 -0.582 3.235 7.606 1.00 0.00 C ATOM 534 OE1 GLU A 34 -0.899 4.301 7.104 1.00 0.00 O ATOM 535 OE2 GLU A 34 -0.478 3.052 8.807 1.00 0.00 O ATOM 0 H GLU A 34 -2.881 3.459 7.005 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.415 3.165 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.295 1.266 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.391 0.659 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.193 1.256 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.408 2.369 5.894 1.00 0.00 H new ATOM 542 N TYR A 35 -4.353 1.665 4.548 1.00 0.00 N ATOM 543 CA TYR A 35 -5.314 1.041 3.597 1.00 0.00 C ATOM 544 C TYR A 35 -5.521 1.977 2.398 1.00 0.00 C ATOM 545 O TYR A 35 -5.775 1.538 1.294 1.00 0.00 O ATOM 546 CB TYR A 35 -6.653 0.793 4.315 1.00 0.00 C ATOM 547 CG TYR A 35 -7.493 -0.195 3.521 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.119 0.211 2.334 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.644 -1.516 3.971 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.888 -0.700 1.599 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.413 -2.425 3.233 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.033 -2.018 2.049 1.00 0.00 C ATOM 553 OH TYR A 35 -9.783 -2.919 1.322 1.00 0.00 O ATOM 0 H TYR A 35 -4.698 1.789 5.500 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.920 0.089 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.471 0.405 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.193 1.733 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.008 1.227 1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.167 -1.832 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.369 -0.386 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.527 -3.442 3.580 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.267 -3.741 1.188 1.00 0.00 H new ATOM 563 N ALA A 36 -5.411 3.264 2.604 1.00 0.00 N ATOM 564 CA ALA A 36 -5.604 4.220 1.474 1.00 0.00 C ATOM 565 C ALA A 36 -4.443 4.092 0.483 1.00 0.00 C ATOM 566 O ALA A 36 -4.645 3.897 -0.703 1.00 0.00 O ATOM 567 CB ALA A 36 -5.660 5.649 2.015 1.00 0.00 C ATOM 0 H ALA A 36 -5.196 3.693 3.504 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.539 3.989 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.801 6.346 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.492 5.741 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.727 5.880 2.529 1.00 0.00 H new ATOM 573 N LEU A 37 -3.224 4.182 0.951 1.00 0.00 N ATOM 574 CA LEU A 37 -2.067 4.047 0.021 1.00 0.00 C ATOM 575 C LEU A 37 -2.203 2.710 -0.705 1.00 0.00 C ATOM 576 O LEU A 37 -1.942 2.593 -1.885 1.00 0.00 O ATOM 577 CB LEU A 37 -0.749 4.066 0.803 1.00 0.00 C ATOM 578 CG LEU A 37 -0.471 5.472 1.353 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.472 5.831 2.468 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.959 5.518 1.908 1.00 0.00 C ATOM 0 H LEU A 37 -2.983 4.342 1.929 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.061 4.876 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.796 3.351 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.070 3.754 0.155 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.583 6.196 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.256 6.831 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.486 5.804 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.383 5.112 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.165 6.514 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.063 4.784 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.666 5.289 1.111 1.00 0.00 H new ATOM 592 N LEU A 38 -2.626 1.705 0.008 1.00 0.00 N ATOM 593 CA LEU A 38 -2.806 0.366 -0.610 1.00 0.00 C ATOM 594 C LEU A 38 -3.798 0.486 -1.768 1.00 0.00 C ATOM 595 O LEU A 38 -3.606 -0.074 -2.828 1.00 0.00 O ATOM 596 CB LEU A 38 -3.357 -0.596 0.449 1.00 0.00 C ATOM 597 CG LEU A 38 -3.392 -2.042 -0.087 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.971 -2.639 -0.149 1.00 0.00 C ATOM 599 CD2 LEU A 38 -4.263 -2.894 0.845 1.00 0.00 C ATOM 0 H LEU A 38 -2.856 1.756 1.000 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.855 -0.012 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.738 -0.551 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.361 -0.287 0.740 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.806 -2.036 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.021 -3.659 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.351 -2.035 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.535 -2.646 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.296 -3.919 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.840 -2.883 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.273 -2.486 0.872 1.00 0.00 H new ATOM 611 N SER A 39 -4.865 1.213 -1.565 1.00 0.00 N ATOM 612 CA SER A 39 -5.886 1.373 -2.640 1.00 0.00 C ATOM 613 C SER A 39 -5.214 1.797 -3.950 1.00 0.00 C ATOM 614 O SER A 39 -5.587 1.352 -5.017 1.00 0.00 O ATOM 615 CB SER A 39 -6.899 2.441 -2.221 1.00 0.00 C ATOM 616 OG SER A 39 -6.327 3.729 -2.404 1.00 0.00 O ATOM 0 H SER A 39 -5.073 1.705 -0.696 1.00 0.00 H new ATOM 0 HA SER A 39 -6.393 0.420 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.809 2.347 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.182 2.301 -1.178 1.00 0.00 H new ATOM 0 HG SER A 39 -5.871 4.005 -1.581 1.00 0.00 H new ATOM 622 N ARG A 40 -4.232 2.659 -3.889 1.00 0.00 N ATOM 623 CA ARG A 40 -3.555 3.100 -5.147 1.00 0.00 C ATOM 624 C ARG A 40 -2.548 2.037 -5.595 1.00 0.00 C ATOM 625 O ARG A 40 -2.442 1.723 -6.765 1.00 0.00 O ATOM 626 CB ARG A 40 -2.819 4.425 -4.895 1.00 0.00 C ATOM 627 CG ARG A 40 -2.363 5.051 -6.236 1.00 0.00 C ATOM 628 CD ARG A 40 -3.483 5.914 -6.834 1.00 0.00 C ATOM 629 NE ARG A 40 -3.017 6.511 -8.117 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.752 7.400 -8.729 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.894 7.770 -8.215 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.345 7.920 -9.854 1.00 0.00 N ATOM 0 H ARG A 40 -3.871 3.074 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.303 3.239 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.474 5.118 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.954 4.252 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.473 5.659 -6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.089 4.263 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.373 5.308 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.763 6.701 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.124 6.225 -8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.212 7.365 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.468 8.464 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.453 7.632 -10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.919 8.614 -10.332 1.00 0.00 H new ATOM 646 N LEU A 41 -1.802 1.488 -4.680 1.00 0.00 N ATOM 647 CA LEU A 41 -0.798 0.456 -5.061 1.00 0.00 C ATOM 648 C LEU A 41 -1.496 -0.722 -5.747 1.00 0.00 C ATOM 649 O LEU A 41 -1.064 -1.189 -6.783 1.00 0.00 O ATOM 650 CB LEU A 41 -0.074 -0.043 -3.802 1.00 0.00 C ATOM 651 CG LEU A 41 0.899 1.037 -3.269 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.187 0.784 -1.784 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.230 1.001 -4.046 1.00 0.00 C ATOM 0 H LEU A 41 -1.843 1.708 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.076 0.896 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.803 -0.295 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.477 -0.956 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 41 0.433 2.013 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.872 1.546 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.255 0.827 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.639 -0.201 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.900 1.768 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.693 0.021 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.040 1.189 -5.103 1.00 0.00 H new ATOM 665 N MET A 42 -2.561 -1.217 -5.179 1.00 0.00 N ATOM 666 CA MET A 42 -3.263 -2.373 -5.806 1.00 0.00 C ATOM 667 C MET A 42 -3.909 -1.940 -7.124 1.00 0.00 C ATOM 668 O MET A 42 -3.959 -2.691 -8.078 1.00 0.00 O ATOM 669 CB MET A 42 -4.337 -2.901 -4.846 1.00 0.00 C ATOM 670 CG MET A 42 -5.469 -1.875 -4.706 1.00 0.00 C ATOM 671 SD MET A 42 -6.527 -2.323 -3.308 1.00 0.00 S ATOM 672 CE MET A 42 -8.033 -1.502 -3.888 1.00 0.00 C ATOM 0 H MET A 42 -2.974 -0.873 -4.312 1.00 0.00 H new ATOM 0 HA MET A 42 -2.542 -3.164 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.735 -3.845 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.896 -3.103 -3.870 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.053 -0.879 -4.556 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.057 -1.840 -5.623 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.675 -1.276 -3.037 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.769 -0.576 -4.399 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.563 -2.159 -4.578 1.00 0.00 H new ATOM 682 N MET A 43 -4.407 -0.736 -7.183 1.00 0.00 N ATOM 683 CA MET A 43 -5.054 -0.256 -8.435 1.00 0.00 C ATOM 684 C MET A 43 -4.075 -0.432 -9.592 1.00 0.00 C ATOM 685 O MET A 43 -4.463 -0.620 -10.728 1.00 0.00 O ATOM 686 CB MET A 43 -5.416 1.224 -8.291 1.00 0.00 C ATOM 687 CG MET A 43 -6.271 1.662 -9.481 1.00 0.00 C ATOM 688 SD MET A 43 -6.648 3.427 -9.335 1.00 0.00 S ATOM 689 CE MET A 43 -7.879 3.507 -10.659 1.00 0.00 C ATOM 0 H MET A 43 -4.394 -0.063 -6.417 1.00 0.00 H new ATOM 0 HA MET A 43 -5.962 -0.828 -8.626 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.960 1.387 -7.360 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.509 1.827 -8.240 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.742 1.468 -10.414 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.194 1.083 -9.512 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.254 4.527 -10.746 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.420 3.207 -11.601 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.706 2.835 -10.428 1.00 0.00 H new ATOM 699 N LYS A 44 -2.802 -0.366 -9.295 1.00 0.00 N ATOM 700 CA LYS A 44 -1.747 -0.521 -10.347 1.00 0.00 C ATOM 701 C LYS A 44 -0.795 -1.658 -9.954 1.00 0.00 C ATOM 702 O LYS A 44 0.410 -1.531 -10.050 1.00 0.00 O ATOM 703 CB LYS A 44 -0.965 0.794 -10.441 1.00 0.00 C ATOM 704 CG LYS A 44 -1.813 1.845 -11.164 1.00 0.00 C ATOM 705 CD LYS A 44 -1.019 3.145 -11.295 1.00 0.00 C ATOM 706 CE LYS A 44 -1.913 4.229 -11.903 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.104 5.453 -12.164 1.00 0.00 N ATOM 0 H LYS A 44 -2.442 -0.209 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.204 -0.757 -11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.704 1.146 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.029 0.635 -10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.098 1.480 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.735 2.025 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.657 3.463 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.142 2.987 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.358 3.870 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.734 4.461 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.712 6.189 -12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.700 5.799 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.335 5.226 -12.827 1.00 0.00 H new ATOM 721 N ALA A 45 -1.324 -2.769 -9.512 1.00 0.00 N ATOM 722 CA ALA A 45 -0.448 -3.906 -9.116 1.00 0.00 C ATOM 723 C ALA A 45 0.293 -4.451 -10.341 1.00 0.00 C ATOM 724 O ALA A 45 -0.291 -4.675 -11.384 1.00 0.00 O ATOM 725 CB ALA A 45 -1.305 -5.021 -8.510 1.00 0.00 C ATOM 0 H ALA A 45 -2.325 -2.936 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 45 0.279 -3.556 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.665 -5.854 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.828 -4.642 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.033 -5.362 -9.247 1.00 0.00 H new ATOM 731 N GLY A 46 1.579 -4.677 -10.216 1.00 0.00 N ATOM 732 CA GLY A 46 2.383 -5.225 -11.359 1.00 0.00 C ATOM 733 C GLY A 46 3.154 -4.095 -12.047 1.00 0.00 C ATOM 734 O GLY A 46 4.011 -4.340 -12.875 1.00 0.00 O ATOM 0 H GLY A 46 2.112 -4.504 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.078 -5.982 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.724 -5.715 -12.076 1.00 0.00 H new ATOM 738 N SER A 47 2.856 -2.862 -11.712 1.00 0.00 N ATOM 739 CA SER A 47 3.564 -1.692 -12.338 1.00 0.00 C ATOM 740 C SER A 47 4.113 -0.792 -11.219 1.00 0.00 C ATOM 741 O SER A 47 3.562 -0.752 -10.137 1.00 0.00 O ATOM 742 CB SER A 47 2.559 -0.903 -13.185 1.00 0.00 C ATOM 743 OG SER A 47 1.347 -0.758 -12.458 1.00 0.00 O ATOM 0 H SER A 47 2.145 -2.611 -11.025 1.00 0.00 H new ATOM 0 HA SER A 47 4.384 -2.035 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.966 0.077 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.373 -1.421 -14.126 1.00 0.00 H new ATOM 0 HG SER A 47 1.522 -0.881 -11.502 1.00 0.00 H new ATOM 749 N PRO A 48 5.187 -0.071 -11.463 1.00 0.00 N ATOM 750 CA PRO A 48 5.781 0.830 -10.429 1.00 0.00 C ATOM 751 C PRO A 48 4.926 2.082 -10.212 1.00 0.00 C ATOM 752 O PRO A 48 4.700 2.855 -11.121 1.00 0.00 O ATOM 753 CB PRO A 48 7.153 1.194 -11.025 1.00 0.00 C ATOM 754 CG PRO A 48 6.939 1.130 -12.503 1.00 0.00 C ATOM 755 CD PRO A 48 5.952 -0.023 -12.726 1.00 0.00 C ATOM 0 HA PRO A 48 5.848 0.358 -9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.472 2.188 -10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.925 0.495 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.537 2.069 -12.882 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.877 0.950 -13.028 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.303 0.164 -13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.469 -0.963 -12.918 1.00 0.00 H new ATOM 763 N VAL A 49 4.449 2.285 -9.008 1.00 0.00 N ATOM 764 CA VAL A 49 3.604 3.481 -8.715 1.00 0.00 C ATOM 765 C VAL A 49 4.471 4.594 -8.127 1.00 0.00 C ATOM 766 O VAL A 49 5.301 4.361 -7.272 1.00 0.00 O ATOM 767 CB VAL A 49 2.518 3.096 -7.707 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.706 4.337 -7.313 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.590 2.058 -8.342 1.00 0.00 C ATOM 0 H VAL A 49 4.611 1.668 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 49 3.143 3.834 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 49 2.984 2.679 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.935 4.055 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.368 5.077 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.237 4.762 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.814 1.779 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.128 2.480 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.166 1.174 -8.615 1.00 0.00 H new ATOM 779 N HIS A 50 4.275 5.808 -8.567 1.00 0.00 N ATOM 780 CA HIS A 50 5.080 6.932 -8.019 1.00 0.00 C ATOM 781 C HIS A 50 4.792 7.058 -6.520 1.00 0.00 C ATOM 782 O HIS A 50 3.670 7.270 -6.106 1.00 0.00 O ATOM 783 CB HIS A 50 4.697 8.232 -8.740 1.00 0.00 C ATOM 784 CG HIS A 50 5.720 9.300 -8.453 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.814 9.328 -7.620 1.00 0.00 N flip ATOM 786 CD2 HIS A 50 5.687 10.540 -9.074 1.00 0.00 C flip ATOM 787 CE1 HIS A 50 7.444 10.562 -7.725 1.00 0.00 C flip ATOM 788 NE2 HIS A 50 6.729 11.256 -8.611 1.00 0.00 N flip ATOM 0 H HIS A 50 3.594 6.067 -9.280 1.00 0.00 H new ATOM 0 HA HIS A 50 6.143 6.744 -8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.633 8.057 -9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.712 8.563 -8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.957 10.871 -9.798 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.328 10.890 -7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.944 12.210 -8.902 1.00 0.00 H new ATOM 797 N ARG A 51 5.800 6.921 -5.706 1.00 0.00 N ATOM 798 CA ARG A 51 5.600 7.020 -4.235 1.00 0.00 C ATOM 799 C ARG A 51 4.976 8.372 -3.904 1.00 0.00 C ATOM 800 O ARG A 51 4.410 8.568 -2.846 1.00 0.00 O ATOM 801 CB ARG A 51 6.951 6.889 -3.524 1.00 0.00 C ATOM 802 CG ARG A 51 7.973 7.817 -4.184 1.00 0.00 C ATOM 803 CD ARG A 51 9.239 7.874 -3.327 1.00 0.00 C ATOM 804 NE ARG A 51 9.719 6.489 -3.057 1.00 0.00 N ATOM 805 CZ ARG A 51 10.886 6.298 -2.505 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.637 7.318 -2.196 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.303 5.084 -2.265 1.00 0.00 N ATOM 0 H ARG A 51 6.761 6.743 -5.999 1.00 0.00 H new ATOM 0 HA ARG A 51 4.939 6.221 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.844 7.142 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.299 5.857 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.214 7.457 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.553 8.816 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.013 8.445 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.033 8.388 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 51 9.135 5.690 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.313 8.266 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.549 7.168 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.717 4.286 -2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.215 4.934 -1.834 1.00 0.00 H new ATOM 821 N GLU A 52 5.073 9.307 -4.804 1.00 0.00 N ATOM 822 CA GLU A 52 4.487 10.645 -4.548 1.00 0.00 C ATOM 823 C GLU A 52 2.962 10.512 -4.454 1.00 0.00 C ATOM 824 O GLU A 52 2.344 11.003 -3.532 1.00 0.00 O ATOM 825 CB GLU A 52 4.879 11.595 -5.698 1.00 0.00 C ATOM 826 CG GLU A 52 4.846 13.053 -5.223 1.00 0.00 C ATOM 827 CD GLU A 52 3.453 13.390 -4.695 1.00 0.00 C ATOM 828 OE1 GLU A 52 2.626 13.809 -5.488 1.00 0.00 O ATOM 829 OE2 GLU A 52 3.236 13.227 -3.505 1.00 0.00 O ATOM 0 H GLU A 52 5.534 9.200 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 52 4.864 11.053 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.877 11.346 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.195 11.463 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.589 13.208 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.105 13.720 -6.046 1.00 0.00 H new ATOM 836 N ILE A 53 2.353 9.844 -5.400 1.00 0.00 N ATOM 837 CA ILE A 53 0.869 9.675 -5.371 1.00 0.00 C ATOM 838 C ILE A 53 0.439 8.971 -4.081 1.00 0.00 C ATOM 839 O ILE A 53 -0.643 9.198 -3.575 1.00 0.00 O ATOM 840 CB ILE A 53 0.428 8.846 -6.579 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.835 9.569 -7.868 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.093 8.671 -6.553 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.671 8.624 -9.062 1.00 0.00 C ATOM 0 H ILE A 53 2.821 9.407 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 53 0.400 10.658 -5.408 1.00 0.00 H new ATOM 0 HB ILE A 53 0.906 7.867 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.220 10.458 -8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.869 9.905 -7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.406 8.080 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.385 8.159 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.572 9.649 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.961 9.140 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.305 7.748 -8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.370 8.310 -9.137 1.00 0.00 H new ATOM 855 N LEU A 54 1.270 8.125 -3.536 1.00 0.00 N ATOM 856 CA LEU A 54 0.890 7.424 -2.276 1.00 0.00 C ATOM 857 C LEU A 54 0.869 8.438 -1.129 1.00 0.00 C ATOM 858 O LEU A 54 0.113 8.313 -0.188 1.00 0.00 O ATOM 859 CB LEU A 54 1.906 6.320 -1.968 1.00 0.00 C ATOM 860 CG LEU A 54 2.166 5.481 -3.225 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.152 4.356 -2.885 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.847 4.875 -3.738 1.00 0.00 C ATOM 0 H LEU A 54 2.191 7.890 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.097 6.975 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.839 6.761 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.532 5.683 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 54 2.587 6.118 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.341 3.756 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.089 4.787 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.728 3.724 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.042 4.281 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.415 4.238 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.149 5.676 -3.981 1.00 0.00 H new ATOM 874 N TYR A 55 1.679 9.454 -1.210 1.00 0.00 N ATOM 875 CA TYR A 55 1.684 10.481 -0.131 1.00 0.00 C ATOM 876 C TYR A 55 0.393 11.293 -0.239 1.00 0.00 C ATOM 877 O TYR A 55 -0.161 11.745 0.744 1.00 0.00 O ATOM 878 CB TYR A 55 2.902 11.401 -0.301 1.00 0.00 C ATOM 879 CG TYR A 55 3.122 12.199 0.970 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.516 11.541 2.142 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.938 13.591 0.979 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.723 12.269 3.320 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.145 14.317 2.158 1.00 0.00 C ATOM 884 CZ TYR A 55 3.538 13.656 3.328 1.00 0.00 C ATOM 885 OH TYR A 55 3.743 14.373 4.490 1.00 0.00 O ATOM 0 H TYR A 55 2.336 9.619 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 55 1.743 10.005 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.788 10.809 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.746 12.076 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.660 10.471 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.637 14.102 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.026 11.760 4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.001 15.387 2.165 1.00 0.00 H new ATOM 0 HH TYR A 55 2.913 14.396 5.011 1.00 0.00 H new ATOM 895 N ASN A 56 -0.085 11.475 -1.438 1.00 0.00 N ATOM 896 CA ASN A 56 -1.337 12.248 -1.650 1.00 0.00 C ATOM 897 C ASN A 56 -2.522 11.507 -1.020 1.00 0.00 C ATOM 898 O ASN A 56 -3.544 12.092 -0.724 1.00 0.00 O ATOM 899 CB ASN A 56 -1.581 12.416 -3.151 1.00 0.00 C ATOM 900 CG ASN A 56 -0.444 13.234 -3.768 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.670 12.638 -4.100 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.570 14.428 -3.951 1.00 0.00 N flip ATOM 0 H ASN A 56 0.345 11.116 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.238 13.227 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.642 11.439 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.535 12.915 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.439 14.895 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.193 14.964 -4.363 1.00 0.00 H new ATOM 909 N ASP A 57 -2.404 10.222 -0.823 1.00 0.00 N ATOM 910 CA ASP A 57 -3.540 9.471 -0.223 1.00 0.00 C ATOM 911 C ASP A 57 -3.921 10.109 1.116 1.00 0.00 C ATOM 912 O ASP A 57 -5.059 10.472 1.341 1.00 0.00 O ATOM 913 CB ASP A 57 -3.132 8.009 -0.004 1.00 0.00 C ATOM 914 CG ASP A 57 -3.087 7.283 -1.351 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.350 7.725 -2.216 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.796 6.301 -1.497 1.00 0.00 O ATOM 0 H ASP A 57 -1.579 9.666 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.396 9.506 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.156 7.961 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.842 7.518 0.662 1.00 0.00 H new ATOM 921 N ILE A 58 -2.983 10.234 2.011 1.00 0.00 N ATOM 922 CA ILE A 58 -3.293 10.831 3.344 1.00 0.00 C ATOM 923 C ILE A 58 -3.479 12.349 3.217 1.00 0.00 C ATOM 924 O ILE A 58 -4.319 12.934 3.872 1.00 0.00 O ATOM 925 CB ILE A 58 -2.143 10.534 4.323 1.00 0.00 C ATOM 926 CG1 ILE A 58 -1.674 9.085 4.136 1.00 0.00 C ATOM 927 CG2 ILE A 58 -2.624 10.738 5.766 1.00 0.00 C ATOM 928 CD1 ILE A 58 -0.600 8.746 5.175 1.00 0.00 C ATOM 0 H ILE A 58 -2.013 9.949 1.879 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.217 10.392 3.720 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.314 11.213 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.519 8.404 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.275 8.950 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.807 10.527 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.952 11.769 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.455 10.063 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.272 7.716 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.250 9.417 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.013 8.863 6.177 1.00 0.00 H new ATOM 940 N TYR A 59 -2.695 12.989 2.383 1.00 0.00 N ATOM 941 CA TYR A 59 -2.805 14.478 2.207 1.00 0.00 C ATOM 942 C TYR A 59 -3.487 14.793 0.875 1.00 0.00 C ATOM 943 O TYR A 59 -3.062 14.349 -0.171 1.00 0.00 O ATOM 944 CB TYR A 59 -1.401 15.087 2.206 1.00 0.00 C ATOM 945 CG TYR A 59 -0.758 14.867 3.559 1.00 0.00 C ATOM 946 CD1 TYR A 59 -1.161 15.639 4.655 1.00 0.00 C ATOM 947 CD2 TYR A 59 0.241 13.896 3.718 1.00 0.00 C ATOM 948 CE1 TYR A 59 -0.568 15.441 5.908 1.00 0.00 C ATOM 949 CE2 TYR A 59 0.833 13.697 4.970 1.00 0.00 C ATOM 950 CZ TYR A 59 0.428 14.470 6.066 1.00 0.00 C ATOM 951 OH TYR A 59 1.013 14.275 7.301 1.00 0.00 O ATOM 0 H TYR A 59 -1.978 12.543 1.811 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.394 14.896 3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.795 14.630 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.455 16.153 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.930 16.388 4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.554 13.301 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.879 16.038 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.602 12.948 5.091 1.00 0.00 H new ATOM 0 HH TYR A 59 1.684 13.563 7.237 1.00 0.00 H new ATOM 961 N SER A 60 -4.544 15.565 0.902 1.00 0.00 N ATOM 962 CA SER A 60 -5.261 15.917 -0.366 1.00 0.00 C ATOM 963 C SER A 60 -5.820 17.338 -0.258 1.00 0.00 C ATOM 964 O SER A 60 -6.725 17.715 -0.976 1.00 0.00 O ATOM 965 CB SER A 60 -6.414 14.936 -0.582 1.00 0.00 C ATOM 966 OG SER A 60 -5.886 13.653 -0.889 1.00 0.00 O ATOM 0 H SER A 60 -4.944 15.969 1.749 1.00 0.00 H new ATOM 0 HA SER A 60 -4.568 15.861 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.034 14.882 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.054 15.282 -1.393 1.00 0.00 H new ATOM 0 HG SER A 60 -4.907 13.687 -0.860 1.00 0.00 H new ATOM 972 N TRP A 61 -5.288 18.131 0.629 1.00 0.00 N ATOM 973 CA TRP A 61 -5.789 19.526 0.776 1.00 0.00 C ATOM 974 C TRP A 61 -4.842 20.317 1.681 1.00 0.00 C ATOM 975 O TRP A 61 -4.854 21.531 1.700 1.00 0.00 O ATOM 976 CB TRP A 61 -7.190 19.504 1.393 1.00 0.00 C ATOM 977 CG TRP A 61 -7.132 18.874 2.748 1.00 0.00 C ATOM 978 CD1 TRP A 61 -7.386 17.572 3.010 1.00 0.00 C ATOM 979 CD2 TRP A 61 -6.803 19.493 4.025 1.00 0.00 C ATOM 980 NE1 TRP A 61 -7.235 17.352 4.368 1.00 0.00 N ATOM 981 CE2 TRP A 61 -6.876 18.506 5.036 1.00 0.00 C ATOM 982 CE3 TRP A 61 -6.453 20.802 4.401 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -6.611 18.807 6.373 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -6.186 21.109 5.746 1.00 0.00 C ATOM 985 CH2 TRP A 61 -6.266 20.112 6.729 1.00 0.00 C ATOM 0 H TRP A 61 -4.528 17.874 1.259 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.833 20.001 -0.204 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.581 20.519 1.469 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.872 18.947 0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.662 16.826 2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.372 16.448 4.820 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.389 21.577 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -6.672 18.036 7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.918 22.118 6.024 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -6.061 20.354 7.761 1.00 0.00 H new ATOM 996 N ASP A 62 -4.018 19.635 2.431 1.00 0.00 N ATOM 997 CA ASP A 62 -3.068 20.345 3.336 1.00 0.00 C ATOM 998 C ASP A 62 -1.920 20.928 2.512 1.00 0.00 C ATOM 999 O ASP A 62 -1.566 22.082 2.648 1.00 0.00 O ATOM 1000 CB ASP A 62 -2.512 19.359 4.366 1.00 0.00 C ATOM 1001 CG ASP A 62 -1.751 20.126 5.449 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -2.398 20.783 6.248 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -0.534 20.041 5.463 1.00 0.00 O ATOM 0 H ASP A 62 -3.962 18.617 2.456 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.589 21.151 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.325 18.788 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.850 18.643 3.879 1.00 0.00 H new ATOM 1008 N ASN A 63 -1.336 20.134 1.659 1.00 0.00 N ATOM 1009 CA ASN A 63 -0.206 20.631 0.819 1.00 0.00 C ATOM 1010 C ASN A 63 0.845 21.300 1.710 1.00 0.00 C ATOM 1011 O ASN A 63 0.729 22.457 2.062 1.00 0.00 O ATOM 1012 CB ASN A 63 -0.734 21.647 -0.198 1.00 0.00 C ATOM 1013 CG ASN A 63 -1.765 20.973 -1.104 1.00 0.00 C ATOM 1014 OD1 ASN A 63 -1.603 19.724 -1.441 1.00 0.00 O flip ATOM 1015 ND2 ASN A 63 -2.729 21.592 -1.512 1.00 0.00 N flip ATOM 0 H ASN A 63 -1.592 19.159 1.505 1.00 0.00 H new ATOM 0 HA ASN A 63 0.249 19.791 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.186 22.493 0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.088 22.041 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.856 22.569 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.410 21.134 -2.117 1.00 0.00 H new ATOM 1022 N GLU A 64 1.871 20.581 2.075 1.00 0.00 N ATOM 1023 CA GLU A 64 2.927 21.176 2.942 1.00 0.00 C ATOM 1024 C GLU A 64 4.155 20.258 2.954 1.00 0.00 C ATOM 1025 O GLU A 64 4.441 19.611 3.942 1.00 0.00 O ATOM 1026 CB GLU A 64 2.389 21.334 4.367 1.00 0.00 C ATOM 1027 CG GLU A 64 3.350 22.196 5.192 1.00 0.00 C ATOM 1028 CD GLU A 64 3.270 23.651 4.723 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.435 24.375 5.240 1.00 0.00 O ATOM 1030 OE2 GLU A 64 4.045 24.015 3.854 1.00 0.00 O ATOM 0 H GLU A 64 2.024 19.608 1.810 1.00 0.00 H new ATOM 0 HA GLU A 64 3.210 22.154 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.401 21.795 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.273 20.355 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.096 22.130 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.369 21.825 5.085 1.00 0.00 H new ATOM 1037 N PRO A 65 4.875 20.201 1.861 1.00 0.00 N ATOM 1038 CA PRO A 65 6.095 19.345 1.742 1.00 0.00 C ATOM 1039 C PRO A 65 7.032 19.494 2.950 1.00 0.00 C ATOM 1040 O PRO A 65 7.843 20.397 3.011 1.00 0.00 O ATOM 1041 CB PRO A 65 6.760 19.856 0.453 1.00 0.00 C ATOM 1042 CG PRO A 65 5.620 20.356 -0.378 1.00 0.00 C ATOM 1043 CD PRO A 65 4.609 20.945 0.615 1.00 0.00 C ATOM 0 HA PRO A 65 5.855 18.282 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.477 20.649 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.304 19.061 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.955 21.111 -1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.174 19.548 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.756 22.017 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.583 20.804 0.275 1.00 0.00 H new ATOM 1051 N ALA A 66 6.925 18.615 3.907 1.00 0.00 N ATOM 1052 CA ALA A 66 7.807 18.705 5.106 1.00 0.00 C ATOM 1053 C ALA A 66 9.220 18.249 4.735 1.00 0.00 C ATOM 1054 O ALA A 66 10.178 18.544 5.421 1.00 0.00 O ATOM 1055 CB ALA A 66 7.256 17.805 6.214 1.00 0.00 C ATOM 0 H ALA A 66 6.265 17.837 3.911 1.00 0.00 H new ATOM 0 HA ALA A 66 7.838 19.736 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.901 17.871 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.249 18.129 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.225 16.773 5.863 1.00 0.00 H new ATOM 1061 N THR A 67 9.357 17.533 3.652 1.00 0.00 N ATOM 1062 CA THR A 67 10.708 17.059 3.237 1.00 0.00 C ATOM 1063 C THR A 67 11.323 16.233 4.374 1.00 0.00 C ATOM 1064 O THR A 67 12.495 15.912 4.361 1.00 0.00 O ATOM 1065 CB THR A 67 11.596 18.278 2.922 1.00 0.00 C ATOM 1066 OG1 THR A 67 10.826 19.245 2.223 1.00 0.00 O ATOM 1067 CG2 THR A 67 12.790 17.860 2.054 1.00 0.00 C ATOM 0 H THR A 67 8.592 17.256 3.037 1.00 0.00 H new ATOM 0 HA THR A 67 10.630 16.435 2.346 1.00 0.00 H new ATOM 0 HB THR A 67 11.969 18.697 3.857 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.385 20.024 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.408 18.732 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.384 17.117 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.428 17.434 1.118 1.00 0.00 H new ATOM 1075 N ASN A 68 10.538 15.885 5.357 1.00 0.00 N ATOM 1076 CA ASN A 68 11.073 15.080 6.494 1.00 0.00 C ATOM 1077 C ASN A 68 9.911 14.453 7.266 1.00 0.00 C ATOM 1078 O ASN A 68 8.775 14.856 7.124 1.00 0.00 O ATOM 1079 CB ASN A 68 11.876 15.987 7.429 1.00 0.00 C ATOM 1080 CG ASN A 68 12.597 15.134 8.473 1.00 0.00 C ATOM 1081 OD1 ASN A 68 13.084 14.063 8.168 1.00 0.00 O ATOM 1082 ND2 ASN A 68 12.688 15.565 9.701 1.00 0.00 N ATOM 0 H ASN A 68 9.548 16.123 5.423 1.00 0.00 H new ATOM 0 HA ASN A 68 11.720 14.292 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.599 16.568 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.213 16.699 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.168 15.003 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.280 16.464 9.958 1.00 0.00 H new ATOM 1089 N THR A 69 10.192 13.467 8.078 1.00 0.00 N ATOM 1090 CA THR A 69 9.120 12.795 8.870 1.00 0.00 C ATOM 1091 C THR A 69 8.255 11.929 7.944 1.00 0.00 C ATOM 1092 O THR A 69 7.694 10.935 8.361 1.00 0.00 O ATOM 1093 CB THR A 69 8.247 13.851 9.586 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.060 14.954 9.959 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.607 13.245 10.842 1.00 0.00 C ATOM 0 H THR A 69 11.130 13.095 8.227 1.00 0.00 H new ATOM 0 HA THR A 69 9.581 12.156 9.623 1.00 0.00 H new ATOM 0 HB THR A 69 7.459 14.181 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.510 15.627 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.995 13.998 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.982 12.398 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.389 12.908 11.522 1.00 0.00 H new ATOM 1103 N LEU A 70 8.142 12.292 6.694 1.00 0.00 N ATOM 1104 CA LEU A 70 7.313 11.476 5.763 1.00 0.00 C ATOM 1105 C LEU A 70 7.994 10.127 5.510 1.00 0.00 C ATOM 1106 O LEU A 70 7.344 9.103 5.427 1.00 0.00 O ATOM 1107 CB LEU A 70 7.084 12.235 4.438 1.00 0.00 C ATOM 1108 CG LEU A 70 8.386 12.406 3.627 1.00 0.00 C ATOM 1109 CD1 LEU A 70 8.041 13.059 2.284 1.00 0.00 C ATOM 1110 CD2 LEU A 70 9.386 13.299 4.386 1.00 0.00 C ATOM 0 H LEU A 70 8.585 13.113 6.281 1.00 0.00 H new ATOM 0 HA LEU A 70 6.339 11.295 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.352 11.697 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.661 13.216 4.653 1.00 0.00 H new ATOM 0 HG LEU A 70 8.844 11.429 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.951 13.187 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.344 12.423 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.582 14.032 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.297 13.407 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.943 14.281 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.626 12.842 5.346 1.00 0.00 H new ATOM 1122 N GLU A 71 9.295 10.110 5.387 1.00 0.00 N ATOM 1123 CA GLU A 71 10.004 8.824 5.141 1.00 0.00 C ATOM 1124 C GLU A 71 9.967 7.969 6.407 1.00 0.00 C ATOM 1125 O GLU A 71 10.032 6.758 6.351 1.00 0.00 O ATOM 1126 CB GLU A 71 11.458 9.108 4.759 1.00 0.00 C ATOM 1127 CG GLU A 71 11.494 10.058 3.560 1.00 0.00 C ATOM 1128 CD GLU A 71 12.928 10.172 3.042 1.00 0.00 C ATOM 1129 OE1 GLU A 71 13.732 9.323 3.389 1.00 0.00 O ATOM 1130 OE2 GLU A 71 13.199 11.108 2.307 1.00 0.00 O ATOM 0 H GLU A 71 9.896 10.932 5.447 1.00 0.00 H new ATOM 0 HA GLU A 71 9.513 8.289 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.987 9.550 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.969 8.177 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.839 9.689 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.122 11.041 3.850 1.00 0.00 H new ATOM 1137 N VAL A 72 9.864 8.588 7.551 1.00 0.00 N ATOM 1138 CA VAL A 72 9.825 7.808 8.819 1.00 0.00 C ATOM 1139 C VAL A 72 8.453 7.166 8.973 1.00 0.00 C ATOM 1140 O VAL A 72 8.336 5.987 9.241 1.00 0.00 O ATOM 1141 CB VAL A 72 10.083 8.740 9.996 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.106 7.933 11.295 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.429 9.442 9.807 1.00 0.00 C ATOM 0 H VAL A 72 9.805 9.600 7.662 1.00 0.00 H new ATOM 0 HA VAL A 72 10.591 7.033 8.795 1.00 0.00 H new ATOM 0 HB VAL A 72 9.289 9.485 10.047 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.291 8.602 12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.146 7.436 11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.898 7.186 11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.613 10.109 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.223 8.697 9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.411 10.021 8.883 1.00 0.00 H new ATOM 1153 N HIS A 73 7.411 7.923 8.780 1.00 0.00 N ATOM 1154 CA HIS A 73 6.047 7.337 8.888 1.00 0.00 C ATOM 1155 C HIS A 73 5.982 6.161 7.919 1.00 0.00 C ATOM 1156 O HIS A 73 5.389 5.136 8.190 1.00 0.00 O ATOM 1157 CB HIS A 73 4.999 8.384 8.506 1.00 0.00 C ATOM 1158 CG HIS A 73 4.978 9.474 9.542 1.00 0.00 C ATOM 1159 ND1 HIS A 73 5.416 9.267 10.843 1.00 0.00 N ATOM 1160 CD2 HIS A 73 4.574 10.786 9.486 1.00 0.00 C ATOM 1161 CE1 HIS A 73 5.267 10.428 11.511 1.00 0.00 C ATOM 1162 NE2 HIS A 73 4.758 11.381 10.729 1.00 0.00 N ATOM 0 H HIS A 73 7.443 8.917 8.553 1.00 0.00 H new ATOM 0 HA HIS A 73 5.846 7.010 9.908 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.229 8.803 7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.016 7.919 8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.175 11.279 8.612 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.527 10.569 12.550 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.548 12.345 10.989 1.00 0.00 H new ATOM 1171 N ILE A 74 6.614 6.315 6.789 1.00 0.00 N ATOM 1172 CA ILE A 74 6.623 5.220 5.789 1.00 0.00 C ATOM 1173 C ILE A 74 7.430 4.057 6.359 1.00 0.00 C ATOM 1174 O ILE A 74 7.069 2.909 6.206 1.00 0.00 O ATOM 1175 CB ILE A 74 7.239 5.720 4.472 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.253 6.686 3.795 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.513 4.534 3.533 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.938 7.418 2.636 1.00 0.00 C ATOM 0 H ILE A 74 7.125 7.155 6.518 1.00 0.00 H new ATOM 0 HA ILE A 74 5.606 4.888 5.578 1.00 0.00 H new ATOM 0 HB ILE A 74 8.179 6.230 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.388 6.134 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.883 7.408 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.949 4.899 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.207 3.843 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.578 4.018 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.229 8.099 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.788 7.985 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.285 6.692 1.901 1.00 0.00 H new ATOM 1190 N HIS A 75 8.516 4.338 7.022 1.00 0.00 N ATOM 1191 CA HIS A 75 9.324 3.228 7.599 1.00 0.00 C ATOM 1192 C HIS A 75 8.464 2.461 8.603 1.00 0.00 C ATOM 1193 O HIS A 75 8.548 1.254 8.722 1.00 0.00 O ATOM 1194 CB HIS A 75 10.555 3.802 8.305 1.00 0.00 C ATOM 1195 CG HIS A 75 11.493 4.385 7.285 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.399 4.515 5.920 1.00 0.00 N flip ATOM 1197 CD2 HIS A 75 12.720 4.931 7.634 1.00 0.00 C flip ATOM 1198 CE1 HIS A 75 12.546 5.130 5.433 1.00 0.00 C flip ATOM 1199 NE2 HIS A 75 13.310 5.361 6.503 1.00 0.00 N flip ATOM 0 H HIS A 75 8.877 5.277 7.188 1.00 0.00 H new ATOM 0 HA HIS A 75 9.651 2.556 6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.253 4.570 9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.059 3.020 8.873 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.128 4.999 8.632 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.772 5.371 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.226 5.808 6.468 1.00 0.00 H new ATOM 1208 N ASN A 76 7.625 3.159 9.315 1.00 0.00 N ATOM 1209 CA ASN A 76 6.742 2.481 10.305 1.00 0.00 C ATOM 1210 C ASN A 76 5.631 1.746 9.556 1.00 0.00 C ATOM 1211 O ASN A 76 5.271 0.635 9.888 1.00 0.00 O ATOM 1212 CB ASN A 76 6.127 3.522 11.241 1.00 0.00 C ATOM 1213 CG ASN A 76 7.222 4.136 12.115 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.194 4.664 11.609 1.00 0.00 O ATOM 1215 ND2 ASN A 76 7.107 4.093 13.414 1.00 0.00 N ATOM 0 H ASN A 76 7.512 4.171 9.254 1.00 0.00 H new ATOM 0 HA ASN A 76 7.324 1.771 10.893 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.632 4.300 10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.365 3.058 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.832 4.502 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.292 3.651 13.840 1.00 0.00 H new ATOM 1222 N LEU A 77 5.085 2.367 8.550 1.00 0.00 N ATOM 1223 CA LEU A 77 3.990 1.722 7.772 1.00 0.00 C ATOM 1224 C LEU A 77 4.574 0.524 7.010 1.00 0.00 C ATOM 1225 O LEU A 77 3.979 -0.533 6.938 1.00 0.00 O ATOM 1226 CB LEU A 77 3.364 2.800 6.826 1.00 0.00 C ATOM 1227 CG LEU A 77 3.410 2.407 5.329 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.576 1.121 5.056 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.866 3.583 4.501 1.00 0.00 C ATOM 0 H LEU A 77 5.351 3.299 8.231 1.00 0.00 H new ATOM 0 HA LEU A 77 3.196 1.343 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.328 2.970 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.893 3.743 6.963 1.00 0.00 H new ATOM 0 HG LEU A 77 4.440 2.191 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.628 0.871 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.978 0.295 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.537 1.295 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.891 3.325 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.839 3.794 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.482 4.465 4.674 1.00 0.00 H new ATOM 1241 N ARG A 78 5.730 0.689 6.434 1.00 0.00 N ATOM 1242 CA ARG A 78 6.359 -0.424 5.667 1.00 0.00 C ATOM 1243 C ARG A 78 6.363 -1.708 6.504 1.00 0.00 C ATOM 1244 O ARG A 78 5.958 -2.758 6.048 1.00 0.00 O ATOM 1245 CB ARG A 78 7.799 -0.044 5.318 1.00 0.00 C ATOM 1246 CG ARG A 78 8.375 -1.071 4.340 1.00 0.00 C ATOM 1247 CD ARG A 78 9.807 -0.678 3.972 1.00 0.00 C ATOM 1248 NE ARG A 78 9.793 0.607 3.218 1.00 0.00 N ATOM 1249 CZ ARG A 78 10.915 1.213 2.936 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.050 0.694 3.317 1.00 0.00 N ATOM 1251 NH2 ARG A 78 10.900 2.337 2.274 1.00 0.00 N ATOM 0 H ARG A 78 6.271 1.553 6.461 1.00 0.00 H new ATOM 0 HA ARG A 78 5.787 -0.596 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.826 0.951 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.406 -0.007 6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.363 -2.064 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.758 -1.120 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.410 -0.576 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.266 -1.461 3.368 1.00 0.00 H new ATOM 0 HE ARG A 78 8.906 1.014 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.061 -0.185 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.926 1.167 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.012 2.742 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.776 2.811 2.054 1.00 0.00 H new ATOM 1265 N GLU A 79 6.836 -1.635 7.718 1.00 0.00 N ATOM 1266 CA GLU A 79 6.886 -2.856 8.576 1.00 0.00 C ATOM 1267 C GLU A 79 5.476 -3.400 8.832 1.00 0.00 C ATOM 1268 O GLU A 79 5.295 -4.576 9.074 1.00 0.00 O ATOM 1269 CB GLU A 79 7.543 -2.505 9.913 1.00 0.00 C ATOM 1270 CG GLU A 79 8.982 -2.046 9.671 1.00 0.00 C ATOM 1271 CD GLU A 79 9.652 -1.735 11.010 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.711 -2.626 11.842 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.097 -0.612 11.181 1.00 0.00 O ATOM 0 H GLU A 79 7.190 -0.784 8.154 1.00 0.00 H new ATOM 0 HA GLU A 79 7.466 -3.622 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.978 -1.718 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.533 -3.372 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.539 -2.822 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.990 -1.161 9.034 1.00 0.00 H new ATOM 1280 N LYS A 80 4.477 -2.560 8.798 1.00 0.00 N ATOM 1281 CA LYS A 80 3.090 -3.043 9.060 1.00 0.00 C ATOM 1282 C LYS A 80 2.571 -3.853 7.866 1.00 0.00 C ATOM 1283 O LYS A 80 1.958 -4.888 8.031 1.00 0.00 O ATOM 1284 CB LYS A 80 2.170 -1.844 9.305 1.00 0.00 C ATOM 1285 CG LYS A 80 2.527 -1.193 10.643 1.00 0.00 C ATOM 1286 CD LYS A 80 1.602 0.000 10.897 1.00 0.00 C ATOM 1287 CE LYS A 80 2.104 0.783 12.112 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.259 1.994 12.307 1.00 0.00 N ATOM 0 H LYS A 80 4.560 -1.563 8.601 1.00 0.00 H new ATOM 0 HA LYS A 80 3.101 -3.685 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.275 -1.120 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.129 -2.166 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.430 -1.920 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.566 -0.865 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.575 0.646 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.583 -0.346 11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.069 0.155 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.145 1.072 11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.753 2.665 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.079 2.443 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.355 1.720 12.742 1.00 0.00 H new ATOM 1302 N ILE A 81 2.791 -3.384 6.668 1.00 0.00 N ATOM 1303 CA ILE A 81 2.285 -4.126 5.475 1.00 0.00 C ATOM 1304 C ILE A 81 3.136 -5.376 5.240 1.00 0.00 C ATOM 1305 O ILE A 81 2.727 -6.291 4.552 1.00 0.00 O ATOM 1306 CB ILE A 81 2.353 -3.222 4.240 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.742 -2.592 4.144 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.302 -2.116 4.356 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.869 -1.837 2.818 1.00 0.00 C ATOM 0 H ILE A 81 3.297 -2.523 6.463 1.00 0.00 H new ATOM 0 HA ILE A 81 1.251 -4.423 5.652 1.00 0.00 H new ATOM 0 HB ILE A 81 2.159 -3.816 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.903 -1.911 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.509 -3.364 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.351 -1.474 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.310 -2.562 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.495 -1.523 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.859 -1.387 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.727 -2.531 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.111 -1.055 2.771 1.00 0.00 H new ATOM 1321 N GLY A 82 4.315 -5.429 5.798 1.00 0.00 N ATOM 1322 CA GLY A 82 5.182 -6.627 5.593 1.00 0.00 C ATOM 1323 C GLY A 82 5.818 -6.552 4.209 1.00 0.00 C ATOM 1324 O GLY A 82 5.348 -7.149 3.261 1.00 0.00 O ATOM 0 H GLY A 82 4.715 -4.698 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.955 -6.667 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.592 -7.539 5.687 1.00 0.00 H new ATOM 1328 N LYS A 83 6.883 -5.814 4.088 1.00 0.00 N ATOM 1329 CA LYS A 83 7.559 -5.680 2.767 1.00 0.00 C ATOM 1330 C LYS A 83 7.855 -7.065 2.184 1.00 0.00 C ATOM 1331 O LYS A 83 8.110 -7.209 1.004 1.00 0.00 O ATOM 1332 CB LYS A 83 8.870 -4.911 2.942 1.00 0.00 C ATOM 1333 CG LYS A 83 9.779 -5.665 3.915 1.00 0.00 C ATOM 1334 CD LYS A 83 10.982 -4.791 4.271 1.00 0.00 C ATOM 1335 CE LYS A 83 12.000 -5.618 5.058 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.134 -4.746 5.473 1.00 0.00 N ATOM 0 H LYS A 83 7.318 -5.294 4.850 1.00 0.00 H new ATOM 0 HA LYS A 83 6.903 -5.139 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.367 -4.795 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.668 -3.908 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.226 -5.926 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.115 -6.599 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.441 -4.398 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.660 -3.934 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.526 -6.059 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.366 -6.442 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.826 -5.308 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.591 -4.346 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.777 -3.974 6.072 1.00 0.00 H new ATOM 1350 N SER A 84 7.841 -8.080 3.002 1.00 0.00 N ATOM 1351 CA SER A 84 8.138 -9.450 2.499 1.00 0.00 C ATOM 1352 C SER A 84 7.248 -9.768 1.296 1.00 0.00 C ATOM 1353 O SER A 84 7.707 -10.273 0.290 1.00 0.00 O ATOM 1354 CB SER A 84 7.873 -10.469 3.609 1.00 0.00 C ATOM 1355 OG SER A 84 8.700 -10.172 4.725 1.00 0.00 O ATOM 0 H SER A 84 7.636 -8.020 3.999 1.00 0.00 H new ATOM 0 HA SER A 84 9.184 -9.500 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.823 -10.441 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.076 -11.478 3.249 1.00 0.00 H new ATOM 0 HG SER A 84 8.532 -10.822 5.439 1.00 0.00 H new ATOM 1361 N ARG A 85 5.975 -9.488 1.393 1.00 0.00 N ATOM 1362 CA ARG A 85 5.047 -9.786 0.253 1.00 0.00 C ATOM 1363 C ARG A 85 5.008 -8.598 -0.717 1.00 0.00 C ATOM 1364 O ARG A 85 4.183 -8.555 -1.608 1.00 0.00 O ATOM 1365 CB ARG A 85 3.633 -10.061 0.802 1.00 0.00 C ATOM 1366 CG ARG A 85 3.541 -11.497 1.340 1.00 0.00 C ATOM 1367 CD ARG A 85 4.476 -11.669 2.542 1.00 0.00 C ATOM 1368 NE ARG A 85 4.124 -12.923 3.265 1.00 0.00 N ATOM 1369 CZ ARG A 85 4.389 -14.083 2.727 1.00 0.00 C ATOM 1370 NH1 ARG A 85 4.968 -14.146 1.559 1.00 0.00 N ATOM 1371 NH2 ARG A 85 4.076 -15.181 3.359 1.00 0.00 N ATOM 0 H ARG A 85 5.534 -9.066 2.210 1.00 0.00 H new ATOM 0 HA ARG A 85 5.405 -10.665 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.399 -9.352 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.894 -9.912 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.515 -11.719 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.809 -12.205 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.513 -11.707 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.388 -10.813 3.211 1.00 0.00 H new ATOM 0 HE ARG A 85 3.676 -12.876 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.214 -13.288 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.174 -15.053 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.625 -15.133 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.283 -16.087 2.939 1.00 0.00 H new ATOM 1385 N ILE A 86 5.897 -7.642 -0.558 1.00 0.00 N ATOM 1386 CA ILE A 86 5.926 -6.446 -1.473 1.00 0.00 C ATOM 1387 C ILE A 86 7.286 -6.394 -2.183 1.00 0.00 C ATOM 1388 O ILE A 86 8.217 -7.085 -1.819 1.00 0.00 O ATOM 1389 CB ILE A 86 5.735 -5.149 -0.646 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.711 -5.364 0.487 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.261 -4.006 -1.553 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.316 -5.667 -0.076 1.00 0.00 C ATOM 0 H ILE A 86 6.610 -7.637 0.171 1.00 0.00 H new ATOM 0 HA ILE A 86 5.123 -6.529 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 86 6.697 -4.887 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.036 -6.187 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.667 -4.474 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.131 -3.101 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.004 -3.827 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.311 -4.277 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.616 -5.814 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.983 -4.831 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.357 -6.571 -0.683 1.00 0.00 H new ATOM 1404 N ARG A 87 7.405 -5.564 -3.191 1.00 0.00 N ATOM 1405 CA ARG A 87 8.698 -5.433 -3.936 1.00 0.00 C ATOM 1406 C ARG A 87 8.930 -3.957 -4.263 1.00 0.00 C ATOM 1407 O ARG A 87 8.192 -3.355 -5.018 1.00 0.00 O ATOM 1408 CB ARG A 87 8.628 -6.241 -5.236 1.00 0.00 C ATOM 1409 CG ARG A 87 8.562 -7.736 -4.911 1.00 0.00 C ATOM 1410 CD ARG A 87 8.767 -8.548 -6.192 1.00 0.00 C ATOM 1411 NE ARG A 87 10.161 -8.354 -6.684 1.00 0.00 N ATOM 1412 CZ ARG A 87 11.158 -8.919 -6.060 1.00 0.00 C ATOM 1413 NH1 ARG A 87 10.938 -9.662 -5.011 1.00 0.00 N ATOM 1414 NH2 ARG A 87 12.379 -8.744 -6.490 1.00 0.00 N ATOM 0 H ARG A 87 6.654 -4.965 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 87 9.517 -5.812 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.752 -5.945 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.501 -6.031 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.327 -7.994 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.598 -7.979 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.581 -9.605 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.054 -8.233 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 87 10.335 -7.779 -7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.985 -9.803 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.719 -10.103 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.552 -8.166 -7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.159 -9.185 -6.003 1.00 0.00 H new ATOM 1428 N THR A 88 9.944 -3.364 -3.689 1.00 0.00 N ATOM 1429 CA THR A 88 10.223 -1.919 -3.954 1.00 0.00 C ATOM 1430 C THR A 88 10.991 -1.773 -5.269 1.00 0.00 C ATOM 1431 O THR A 88 11.898 -2.530 -5.555 1.00 0.00 O ATOM 1432 CB THR A 88 11.068 -1.346 -2.805 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.441 -1.611 -3.056 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.659 -1.999 -1.480 1.00 0.00 C ATOM 0 H THR A 88 10.593 -3.818 -3.046 1.00 0.00 H new ATOM 0 HA THR A 88 9.280 -1.376 -4.025 1.00 0.00 H new ATOM 0 HB THR A 88 10.904 -0.270 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.983 -1.246 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.262 -1.588 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.605 -1.798 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.818 -3.076 -1.541 1.00 0.00 H new ATOM 1442 N VAL A 89 10.635 -0.796 -6.069 1.00 0.00 N ATOM 1443 CA VAL A 89 11.338 -0.572 -7.375 1.00 0.00 C ATOM 1444 C VAL A 89 12.269 0.633 -7.247 1.00 0.00 C ATOM 1445 O VAL A 89 11.873 1.761 -7.465 1.00 0.00 O ATOM 1446 CB VAL A 89 10.295 -0.296 -8.459 1.00 0.00 C ATOM 1447 CG1 VAL A 89 10.995 -0.103 -9.806 1.00 0.00 C ATOM 1448 CG2 VAL A 89 9.333 -1.482 -8.552 1.00 0.00 C ATOM 0 H VAL A 89 9.881 -0.138 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 89 11.921 -1.454 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 89 9.739 0.607 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.251 0.094 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.682 0.741 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.551 -1.005 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.589 -1.287 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.891 -2.384 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.833 -1.621 -7.593 1.00 0.00 H new ATOM 1458 N ARG A 90 13.508 0.404 -6.895 1.00 0.00 N ATOM 1459 CA ARG A 90 14.474 1.536 -6.748 1.00 0.00 C ATOM 1460 C ARG A 90 13.845 2.626 -5.868 1.00 0.00 C ATOM 1461 O ARG A 90 12.750 2.476 -5.364 1.00 0.00 O ATOM 1462 CB ARG A 90 14.812 2.111 -8.142 1.00 0.00 C ATOM 1463 CG ARG A 90 15.938 1.300 -8.805 1.00 0.00 C ATOM 1464 CD ARG A 90 15.458 -0.123 -9.105 1.00 0.00 C ATOM 1465 NE ARG A 90 14.204 -0.067 -9.908 1.00 0.00 N ATOM 1466 CZ ARG A 90 14.250 0.283 -11.166 1.00 0.00 C ATOM 1467 NH1 ARG A 90 15.392 0.588 -11.719 1.00 0.00 N ATOM 1468 NH2 ARG A 90 13.152 0.327 -11.872 1.00 0.00 N ATOM 0 H ARG A 90 13.894 -0.520 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 90 15.391 1.180 -6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.924 2.093 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.115 3.154 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.253 1.788 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.808 1.268 -8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.227 -0.670 -9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.282 -0.662 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 90 13.310 -0.302 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.250 0.553 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.426 0.861 -12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.259 0.088 -11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.188 0.600 -12.854 1.00 0.00 H new ATOM 1482 N GLY A 91 14.532 3.723 -5.682 1.00 0.00 N ATOM 1483 CA GLY A 91 13.979 4.826 -4.840 1.00 0.00 C ATOM 1484 C GLY A 91 13.112 5.740 -5.709 1.00 0.00 C ATOM 1485 O GLY A 91 13.334 6.933 -5.778 1.00 0.00 O ATOM 0 H GLY A 91 15.455 3.903 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.387 4.413 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.791 5.397 -4.389 1.00 0.00 H new ATOM 1489 N PHE A 92 12.130 5.184 -6.380 1.00 0.00 N ATOM 1490 CA PHE A 92 11.238 5.998 -7.263 1.00 0.00 C ATOM 1491 C PHE A 92 9.777 5.591 -7.036 1.00 0.00 C ATOM 1492 O PHE A 92 8.876 6.389 -7.205 1.00 0.00 O ATOM 1493 CB PHE A 92 11.624 5.755 -8.731 1.00 0.00 C ATOM 1494 CG PHE A 92 10.597 6.384 -9.650 1.00 0.00 C ATOM 1495 CD1 PHE A 92 9.473 5.649 -10.042 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.767 7.698 -10.101 1.00 0.00 C ATOM 1497 CE1 PHE A 92 8.518 6.226 -10.886 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.811 8.276 -10.947 1.00 0.00 C ATOM 1499 CZ PHE A 92 8.686 7.539 -11.338 1.00 0.00 C ATOM 0 H PHE A 92 11.908 4.189 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 92 11.353 7.056 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.609 6.177 -8.931 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.690 4.685 -8.925 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.342 4.635 -9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.634 8.266 -9.797 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.651 5.658 -11.189 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.942 9.289 -11.297 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.948 7.985 -11.989 1.00 0.00 H new ATOM 1509 N GLY A 93 9.525 4.365 -6.666 1.00 0.00 N ATOM 1510 CA GLY A 93 8.108 3.951 -6.451 1.00 0.00 C ATOM 1511 C GLY A 93 8.036 2.610 -5.723 1.00 0.00 C ATOM 1512 O GLY A 93 8.925 2.235 -4.984 1.00 0.00 O ATOM 0 H GLY A 93 10.226 3.642 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.587 4.713 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.597 3.876 -7.411 1.00 0.00 H new ATOM 1516 N TYR A 94 6.965 1.890 -5.932 1.00 0.00 N ATOM 1517 CA TYR A 94 6.783 0.564 -5.269 1.00 0.00 C ATOM 1518 C TYR A 94 5.973 -0.327 -6.206 1.00 0.00 C ATOM 1519 O TYR A 94 5.435 0.126 -7.194 1.00 0.00 O ATOM 1520 CB TYR A 94 6.016 0.752 -3.947 1.00 0.00 C ATOM 1521 CG TYR A 94 6.968 1.171 -2.849 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.337 2.513 -2.719 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.478 0.215 -1.961 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.216 2.901 -1.704 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.356 0.602 -0.946 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.726 1.946 -0.816 1.00 0.00 C ATOM 1527 OH TYR A 94 9.594 2.329 0.187 1.00 0.00 O ATOM 0 H TYR A 94 6.197 2.169 -6.543 1.00 0.00 H new ATOM 0 HA TYR A 94 7.751 0.110 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.239 1.506 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.517 -0.177 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.943 3.250 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.192 -0.822 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.502 3.938 -1.605 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.749 -0.135 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 94 10.518 2.245 -0.130 1.00 0.00 H new ATOM 1537 N MET A 95 5.874 -1.589 -5.904 1.00 0.00 N ATOM 1538 CA MET A 95 5.089 -2.496 -6.790 1.00 0.00 C ATOM 1539 C MET A 95 4.780 -3.802 -6.058 1.00 0.00 C ATOM 1540 O MET A 95 5.648 -4.433 -5.488 1.00 0.00 O ATOM 1541 CB MET A 95 5.896 -2.792 -8.057 1.00 0.00 C ATOM 1542 CG MET A 95 5.137 -3.792 -8.936 1.00 0.00 C ATOM 1543 SD MET A 95 5.897 -3.853 -10.578 1.00 0.00 S ATOM 1544 CE MET A 95 7.522 -4.457 -10.058 1.00 0.00 C ATOM 0 H MET A 95 6.298 -2.032 -5.089 1.00 0.00 H new ATOM 0 HA MET A 95 4.151 -2.012 -7.060 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.073 -1.869 -8.610 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.873 -3.196 -7.791 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.155 -4.781 -8.478 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.091 -3.498 -9.019 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.891 -5.181 -10.785 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.218 -3.620 -9.994 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.437 -4.934 -9.082 1.00 0.00 H new ATOM 1554 N LEU A 96 3.539 -4.207 -6.074 1.00 0.00 N ATOM 1555 CA LEU A 96 3.144 -5.474 -5.387 1.00 0.00 C ATOM 1556 C LEU A 96 3.425 -6.660 -6.318 1.00 0.00 C ATOM 1557 O LEU A 96 3.269 -6.568 -7.520 1.00 0.00 O ATOM 1558 CB LEU A 96 1.642 -5.415 -5.049 1.00 0.00 C ATOM 1559 CG LEU A 96 1.423 -4.634 -3.745 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.063 -3.247 -3.857 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.080 -4.484 -3.494 1.00 0.00 C ATOM 0 H LEU A 96 2.776 -3.713 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 96 3.716 -5.596 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.097 -4.938 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.244 -6.425 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 96 1.883 -5.174 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.905 -2.697 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.133 -3.353 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.608 -2.702 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.241 -3.930 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.535 -3.944 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.535 -5.471 -3.410 1.00 0.00 H new ATOM 1573 N ALA A 97 3.837 -7.772 -5.771 1.00 0.00 N ATOM 1574 CA ALA A 97 4.125 -8.961 -6.621 1.00 0.00 C ATOM 1575 C ALA A 97 2.809 -9.604 -7.062 1.00 0.00 C ATOM 1576 O ALA A 97 2.013 -10.031 -6.250 1.00 0.00 O ATOM 1577 CB ALA A 97 4.943 -9.974 -5.818 1.00 0.00 C ATOM 0 H ALA A 97 3.986 -7.908 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 97 4.690 -8.651 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.155 -10.845 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.881 -9.516 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.377 -10.284 -4.939 1.00 0.00 H new ATOM 1583 N ASN A 98 2.571 -9.675 -8.344 1.00 0.00 N ATOM 1584 CA ASN A 98 1.306 -10.289 -8.834 1.00 0.00 C ATOM 1585 C ASN A 98 1.269 -11.767 -8.436 1.00 0.00 C ATOM 1586 O ASN A 98 0.232 -12.398 -8.453 1.00 0.00 O ATOM 1587 CB ASN A 98 1.239 -10.170 -10.358 1.00 0.00 C ATOM 1588 CG ASN A 98 1.309 -8.695 -10.757 1.00 0.00 C ATOM 1589 OD1 ASN A 98 1.136 -7.775 -9.848 1.00 0.00 O flip ATOM 1590 ND2 ASN A 98 1.525 -8.375 -11.910 1.00 0.00 N flip ATOM 0 H ASN A 98 3.199 -9.334 -9.072 1.00 0.00 H new ATOM 0 HA ASN A 98 0.455 -9.772 -8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.062 -10.721 -10.813 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.315 -10.615 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.660 -9.093 -12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.571 -7.389 -12.165 1.00 0.00 H new ATOM 1597 N ASN A 99 2.395 -12.320 -8.078 1.00 0.00 N ATOM 1598 CA ASN A 99 2.426 -13.756 -7.679 1.00 0.00 C ATOM 1599 C ASN A 99 3.807 -14.097 -7.119 1.00 0.00 C ATOM 1600 O ASN A 99 4.819 -13.838 -7.739 1.00 0.00 O ATOM 1601 CB ASN A 99 2.141 -14.630 -8.902 1.00 0.00 C ATOM 1602 CG ASN A 99 3.089 -14.245 -10.038 1.00 0.00 C ATOM 1603 OD1 ASN A 99 4.005 -14.978 -10.354 1.00 0.00 O ATOM 1604 ND2 ASN A 99 2.908 -13.118 -10.669 1.00 0.00 N ATOM 0 H ASN A 99 3.295 -11.840 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 99 1.669 -13.940 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.270 -15.682 -8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.106 -14.503 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.535 -12.852 -11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.139 -12.503 -10.404 1.00 0.00 H new ATOM 1611 N ILE A 100 3.858 -14.678 -5.951 1.00 0.00 N ATOM 1612 CA ILE A 100 5.178 -15.034 -5.358 1.00 0.00 C ATOM 1613 C ILE A 100 5.905 -15.980 -6.306 1.00 0.00 C ATOM 1614 O ILE A 100 7.094 -16.208 -6.197 1.00 0.00 O ATOM 1615 CB ILE A 100 4.964 -15.717 -3.998 1.00 0.00 C ATOM 1616 CG1 ILE A 100 3.892 -14.962 -3.198 1.00 0.00 C ATOM 1617 CG2 ILE A 100 6.277 -15.731 -3.210 1.00 0.00 C ATOM 1618 CD1 ILE A 100 4.221 -13.466 -3.134 1.00 0.00 C ATOM 0 H ILE A 100 3.046 -14.921 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 100 5.775 -14.134 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 100 4.634 -16.742 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.916 -15.106 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.829 -15.370 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.118 -16.216 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.033 -16.279 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.616 -14.708 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.450 -12.948 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.187 -13.326 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.260 -13.058 -4.144 1.00 0.00 H new ATOM 1630 N ASP A 101 5.186 -16.527 -7.238 1.00 0.00 N ATOM 1631 CA ASP A 101 5.801 -17.467 -8.221 1.00 0.00 C ATOM 1632 C ASP A 101 6.468 -16.665 -9.341 1.00 0.00 C ATOM 1633 O ASP A 101 7.150 -17.210 -10.186 1.00 0.00 O ATOM 1634 CB ASP A 101 4.712 -18.362 -8.818 1.00 0.00 C ATOM 1635 CG ASP A 101 3.946 -19.055 -7.690 1.00 0.00 C ATOM 1636 OD1 ASP A 101 4.410 -20.086 -7.232 1.00 0.00 O ATOM 1637 OD2 ASP A 101 2.908 -18.543 -7.304 1.00 0.00 O ATOM 0 H ASP A 101 4.187 -16.365 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 101 6.546 -18.084 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.029 -17.767 -9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.159 -19.105 -9.479 1.00 0.00 H new ATOM 1642 N THR A 102 6.275 -15.374 -9.355 1.00 0.00 N ATOM 1643 CA THR A 102 6.897 -14.537 -10.421 1.00 0.00 C ATOM 1644 C THR A 102 8.399 -14.821 -10.488 1.00 0.00 C ATOM 1645 O THR A 102 9.049 -15.022 -9.481 1.00 0.00 O ATOM 1646 CB THR A 102 6.669 -13.054 -10.105 1.00 0.00 C ATOM 1647 OG1 THR A 102 7.186 -12.262 -11.165 1.00 0.00 O ATOM 1648 CG2 THR A 102 7.378 -12.687 -8.798 1.00 0.00 C ATOM 0 H THR A 102 5.713 -14.862 -8.674 1.00 0.00 H new ATOM 0 HA THR A 102 6.442 -14.778 -11.381 1.00 0.00 H new ATOM 0 HB THR A 102 5.600 -12.868 -9.997 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.040 -11.314 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.213 -11.632 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.979 -13.294 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.447 -12.873 -8.899 1.00 0.00 H new ATOM 1656 N GLU A 103 8.957 -14.840 -11.668 1.00 0.00 N ATOM 1657 CA GLU A 103 10.417 -15.110 -11.802 1.00 0.00 C ATOM 1658 C GLU A 103 10.765 -16.413 -11.077 1.00 0.00 C ATOM 1659 O GLU A 103 11.082 -16.347 -9.901 1.00 0.00 O ATOM 1660 CB GLU A 103 11.208 -13.954 -11.186 1.00 0.00 C ATOM 1661 CG GLU A 103 12.689 -14.100 -11.543 1.00 0.00 C ATOM 1662 CD GLU A 103 13.467 -12.904 -10.993 1.00 0.00 C ATOM 1663 OE1 GLU A 103 13.530 -11.896 -11.678 1.00 0.00 O ATOM 1664 OE2 GLU A 103 13.987 -13.015 -9.895 1.00 0.00 O ATOM 1665 OXT GLU A 103 10.709 -17.453 -11.711 1.00 0.00 O ATOM 0 H GLU A 103 8.464 -14.680 -12.546 1.00 0.00 H new ATOM 0 HA GLU A 103 10.674 -15.204 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.827 -13.002 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.083 -13.950 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.084 -15.027 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.809 -14.159 -12.625 1.00 0.00 H new TER 1672 GLU A 103