USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 88 GLN : amide:sc= 0.727 K(o=1.8,f=-10!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -170:sc= 1.07 (180deg=-0.231) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -116:sc= 1.82 (180deg=0.422) USER MOD Set 2.2: A 82 ASN : amide:sc= -4.22! C(o=-2.4!,f=-5.6!) USER MOD Single : A 7 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.04) USER MOD Single : A 10 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.8!) USER MOD Single : A 12 THR OG1 : rot 52:sc= 0.0139 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 19 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc=-0.00457 (180deg=-0.146) USER MOD Single : A 31 TYR OH : rot -122:sc= 1.21 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -2.41! X(o=-2.4!,f=-2.2) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= 0.533 (180deg=-0.709) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.27) USER MOD Single : A 46 THR OG1 : rot -130:sc= -1.18 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.235 USER MOD Single : A 49 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.047) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -140:sc= 0.377 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 177:sc= -2.84! USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.986) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 71 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.2) USER MOD Single : A 75 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.561 K(o=0.56,f=-0.032) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc=-0.00755 (180deg=-0.14) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.0012 (180deg=-0.115) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 97 ASN : amide:sc= -0.869 K(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 0.142 12.270 -6.396 1.00 0.00 N ATOM 21 CA ILE A 2 -0.196 11.478 -5.217 1.00 0.00 C ATOM 22 C ILE A 2 -1.713 11.300 -5.108 1.00 0.00 C ATOM 23 O ILE A 2 -2.432 12.205 -4.684 1.00 0.00 O ATOM 24 CB ILE A 2 0.359 12.117 -3.919 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.014 13.611 -3.848 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.864 11.917 -3.833 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.452 14.277 -2.563 1.00 0.00 C ATOM 0 HA ILE A 2 0.271 10.500 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.111 11.621 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.481 14.123 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.064 13.731 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.240 12.371 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.090 10.851 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.343 12.386 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.174 15.331 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.035 13.792 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.533 14.189 -2.458 1.00 0.00 H new ATOM 39 N ARG A 3 -2.202 10.140 -5.525 1.00 0.00 N ATOM 40 CA ARG A 3 -3.608 9.873 -5.562 1.00 0.00 C ATOM 41 C ARG A 3 -3.949 8.485 -5.061 1.00 0.00 C ATOM 42 O ARG A 3 -3.094 7.626 -4.887 1.00 0.00 O ATOM 43 CB ARG A 3 -4.089 9.981 -6.980 1.00 0.00 C ATOM 44 CG ARG A 3 -4.470 11.384 -7.404 1.00 0.00 C ATOM 45 CD ARG A 3 -5.762 11.826 -6.741 1.00 0.00 C ATOM 46 NE ARG A 3 -6.847 10.879 -6.999 1.00 0.00 N ATOM 47 CZ ARG A 3 -8.013 10.884 -6.361 1.00 0.00 C ATOM 48 NH1 ARG A 3 -8.273 11.809 -5.449 1.00 0.00 N ATOM 49 NH2 ARG A 3 -8.917 9.958 -6.648 1.00 0.00 N ATOM 0 H ARG A 3 -1.622 9.365 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.091 10.602 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.308 9.613 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.952 9.328 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.669 12.076 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.583 11.421 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.607 11.920 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.043 12.812 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.699 10.168 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.577 12.522 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.170 11.808 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.715 9.249 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.815 9.954 -6.163 1.00 0.00 H new ATOM 63 N PHE A 4 -5.225 8.296 -4.852 1.00 0.00 N ATOM 64 CA PHE A 4 -5.784 7.017 -4.495 1.00 0.00 C ATOM 65 C PHE A 4 -6.921 6.689 -5.460 1.00 0.00 C ATOM 66 O PHE A 4 -7.929 7.390 -5.519 1.00 0.00 O ATOM 67 CB PHE A 4 -6.244 7.046 -3.034 1.00 0.00 C ATOM 68 CG PHE A 4 -7.382 7.983 -2.727 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.159 9.343 -2.586 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.671 7.501 -2.563 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.198 10.200 -2.291 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.714 8.355 -2.269 1.00 0.00 C ATOM 73 CZ PHE A 4 -9.476 9.708 -2.134 1.00 0.00 C ATOM 0 H PHE A 4 -5.919 9.040 -4.926 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.036 6.229 -4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.540 6.037 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.393 7.320 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.161 9.736 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.862 6.443 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.010 11.258 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.714 7.966 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.290 10.380 -1.906 1.00 0.00 H new ATOM 83 N GLU A 5 -6.732 5.647 -6.246 1.00 0.00 N ATOM 84 CA GLU A 5 -7.684 5.293 -7.287 1.00 0.00 C ATOM 85 C GLU A 5 -8.319 3.966 -6.957 1.00 0.00 C ATOM 86 O GLU A 5 -7.857 2.900 -7.365 1.00 0.00 O ATOM 87 CB GLU A 5 -6.995 5.247 -8.654 1.00 0.00 C ATOM 88 CG GLU A 5 -6.366 6.570 -9.069 1.00 0.00 C ATOM 89 CD GLU A 5 -7.394 7.639 -9.386 1.00 0.00 C ATOM 90 OE1 GLU A 5 -7.944 7.621 -10.508 1.00 0.00 O ATOM 91 OE2 GLU A 5 -7.651 8.506 -8.525 1.00 0.00 O ATOM 0 H GLU A 5 -5.925 5.027 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.463 6.054 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.223 4.478 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.724 4.949 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.716 6.924 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.736 6.408 -9.944 1.00 0.00 H new ATOM 98 N ILE A 6 -9.381 4.055 -6.201 1.00 0.00 N ATOM 99 CA ILE A 6 -10.031 2.898 -5.653 1.00 0.00 C ATOM 100 C ILE A 6 -11.281 2.554 -6.448 1.00 0.00 C ATOM 101 O ILE A 6 -11.974 3.425 -6.973 1.00 0.00 O ATOM 102 CB ILE A 6 -10.451 3.189 -4.206 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.229 3.579 -3.375 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.181 1.992 -3.579 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.577 4.183 -2.036 1.00 0.00 C ATOM 0 H ILE A 6 -9.821 4.939 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.333 2.062 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.151 4.025 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.611 2.695 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.628 4.291 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.463 2.234 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.076 1.767 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.522 1.124 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.661 4.435 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.169 5.085 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.152 3.465 -1.451 1.00 0.00 H new ATOM 117 N HIS A 7 -11.542 1.279 -6.529 1.00 0.00 N ATOM 118 CA HIS A 7 -12.799 0.754 -7.014 1.00 0.00 C ATOM 119 C HIS A 7 -13.305 -0.227 -6.007 1.00 0.00 C ATOM 120 O HIS A 7 -12.934 -1.395 -6.044 1.00 0.00 O ATOM 121 CB HIS A 7 -12.638 0.017 -8.326 1.00 0.00 C ATOM 122 CG HIS A 7 -12.685 0.895 -9.536 1.00 0.00 C ATOM 123 ND1 HIS A 7 -11.966 0.642 -10.684 1.00 0.00 N ATOM 124 CD2 HIS A 7 -13.384 2.029 -9.775 1.00 0.00 C ATOM 125 CE1 HIS A 7 -12.221 1.582 -11.575 1.00 0.00 C ATOM 126 NE2 HIS A 7 -13.078 2.433 -11.048 1.00 0.00 N ATOM 0 H HIS A 7 -10.876 0.556 -6.255 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.481 1.590 -7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.687 -0.516 -8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.424 -0.734 -8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.057 2.523 -9.090 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.799 1.643 -12.567 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.453 3.260 -11.513 1.00 0.00 H new ATOM 135 N GLY A 8 -14.118 0.200 -5.085 1.00 0.00 N ATOM 136 CA GLY A 8 -14.467 -0.733 -4.076 1.00 0.00 C ATOM 137 C GLY A 8 -15.838 -1.348 -4.285 1.00 0.00 C ATOM 138 O GLY A 8 -16.854 -0.765 -3.900 1.00 0.00 O ATOM 0 H GLY A 8 -14.527 1.132 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.720 -1.526 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.442 -0.237 -3.106 1.00 0.00 H new ATOM 142 N ASP A 9 -15.862 -2.529 -4.895 1.00 0.00 N ATOM 143 CA ASP A 9 -17.109 -3.237 -5.172 1.00 0.00 C ATOM 144 C ASP A 9 -17.549 -4.045 -3.957 1.00 0.00 C ATOM 145 O ASP A 9 -17.351 -5.263 -3.891 1.00 0.00 O ATOM 146 CB ASP A 9 -16.964 -4.171 -6.382 1.00 0.00 C ATOM 147 CG ASP A 9 -16.631 -3.442 -7.668 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.916 -4.023 -8.514 1.00 0.00 O ATOM 149 OD2 ASP A 9 -17.084 -2.296 -7.850 1.00 0.00 O ATOM 0 H ASP A 9 -15.025 -3.020 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.866 -2.487 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.183 -4.903 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.893 -4.725 -6.517 1.00 0.00 H new ATOM 154 N ASN A 10 -18.128 -3.346 -2.988 1.00 0.00 N ATOM 155 CA ASN A 10 -18.693 -3.976 -1.802 1.00 0.00 C ATOM 156 C ASN A 10 -20.170 -3.613 -1.678 1.00 0.00 C ATOM 157 O ASN A 10 -21.034 -4.292 -2.236 1.00 0.00 O ATOM 158 CB ASN A 10 -17.926 -3.554 -0.536 1.00 0.00 C ATOM 159 CG ASN A 10 -18.574 -4.055 0.751 1.00 0.00 C ATOM 160 OD1 ASN A 10 -19.242 -5.085 0.766 1.00 0.00 O ATOM 161 ND2 ASN A 10 -18.387 -3.320 1.835 1.00 0.00 N ATOM 0 H ASN A 10 -18.219 -2.330 -3.002 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.599 -5.057 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.906 -3.933 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.861 -2.466 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.804 -3.603 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.826 -2.470 1.784 1.00 0.00 H new ATOM 168 N LEU A 11 -20.452 -2.520 -0.982 1.00 0.00 N ATOM 169 CA LEU A 11 -21.818 -2.070 -0.783 1.00 0.00 C ATOM 170 C LEU A 11 -21.898 -0.563 -0.965 1.00 0.00 C ATOM 171 O LEU A 11 -22.071 -0.073 -2.080 1.00 0.00 O ATOM 172 CB LEU A 11 -22.322 -2.467 0.612 1.00 0.00 C ATOM 173 CG LEU A 11 -22.450 -3.972 0.862 1.00 0.00 C ATOM 174 CD1 LEU A 11 -22.777 -4.244 2.322 1.00 0.00 C ATOM 175 CD2 LEU A 11 -23.518 -4.574 -0.040 1.00 0.00 C ATOM 0 H LEU A 11 -19.747 -1.927 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.455 -2.551 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.645 -2.049 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.296 -2.005 0.772 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.494 -4.441 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.864 -5.319 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -21.982 -3.847 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.720 -3.761 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -23.595 -5.644 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.477 -4.099 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.248 -4.411 -1.083 1.00 0.00 H new ATOM 187 N THR A 12 -21.726 0.169 0.120 1.00 0.00 N ATOM 188 CA THR A 12 -21.765 1.615 0.072 1.00 0.00 C ATOM 189 C THR A 12 -20.366 2.202 0.218 1.00 0.00 C ATOM 190 O THR A 12 -19.891 2.445 1.329 1.00 0.00 O ATOM 191 CB THR A 12 -22.687 2.173 1.172 1.00 0.00 C ATOM 192 OG1 THR A 12 -22.530 1.404 2.373 1.00 0.00 O ATOM 193 CG2 THR A 12 -24.142 2.147 0.730 1.00 0.00 C ATOM 0 H THR A 12 -21.557 -0.218 1.048 1.00 0.00 H new ATOM 0 HA THR A 12 -22.164 1.905 -0.900 1.00 0.00 H new ATOM 0 HB THR A 12 -22.406 3.209 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.579 1.342 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.771 2.546 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.261 2.755 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.438 1.121 0.514 1.00 0.00 H new ATOM 201 N ILE A 13 -19.689 2.396 -0.904 1.00 0.00 N ATOM 202 CA ILE A 13 -18.383 3.036 -0.895 1.00 0.00 C ATOM 203 C ILE A 13 -18.565 4.554 -0.822 1.00 0.00 C ATOM 204 O ILE A 13 -18.419 5.283 -1.805 1.00 0.00 O ATOM 205 CB ILE A 13 -17.525 2.617 -2.119 1.00 0.00 C ATOM 206 CG1 ILE A 13 -16.181 3.361 -2.121 1.00 0.00 C ATOM 207 CG2 ILE A 13 -18.280 2.837 -3.426 1.00 0.00 C ATOM 208 CD1 ILE A 13 -15.260 2.963 -3.255 1.00 0.00 C ATOM 0 H ILE A 13 -20.021 2.121 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 13 -17.835 2.703 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.320 1.550 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -16.371 4.433 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.674 3.178 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.652 2.534 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -19.193 2.242 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -18.534 3.892 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.333 3.532 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.038 1.898 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.745 3.172 -4.208 1.00 0.00 H new ATOM 220 N THR A 14 -18.929 5.016 0.361 1.00 0.00 N ATOM 221 CA THR A 14 -19.257 6.411 0.571 1.00 0.00 C ATOM 222 C THR A 14 -18.007 7.259 0.767 1.00 0.00 C ATOM 223 O THR A 14 -16.889 6.733 0.836 1.00 0.00 O ATOM 224 CB THR A 14 -20.182 6.570 1.789 1.00 0.00 C ATOM 225 OG1 THR A 14 -19.614 5.898 2.920 1.00 0.00 O ATOM 226 CG2 THR A 14 -21.561 6.002 1.498 1.00 0.00 C ATOM 0 H THR A 14 -19.005 4.437 1.197 1.00 0.00 H new ATOM 0 HA THR A 14 -19.771 6.761 -0.324 1.00 0.00 H new ATOM 0 HB THR A 14 -20.284 7.633 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.206 6.003 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 14 -22.198 6.126 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 14 -22.001 6.530 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.475 4.942 1.259 1.00 0.00 H new ATOM 234 N ASP A 15 -18.197 8.568 0.877 1.00 0.00 N ATOM 235 CA ASP A 15 -17.089 9.496 1.070 1.00 0.00 C ATOM 236 C ASP A 15 -16.408 9.236 2.410 1.00 0.00 C ATOM 237 O ASP A 15 -15.247 9.584 2.603 1.00 0.00 O ATOM 238 CB ASP A 15 -17.578 10.944 0.978 1.00 0.00 C ATOM 239 CG ASP A 15 -18.184 11.263 -0.377 1.00 0.00 C ATOM 240 OD1 ASP A 15 -17.424 11.573 -1.319 1.00 0.00 O ATOM 241 OD2 ASP A 15 -19.426 11.187 -0.513 1.00 0.00 O ATOM 0 H ASP A 15 -19.114 9.013 0.836 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.358 9.336 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.319 11.125 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.744 11.620 1.169 1.00 0.00 H new ATOM 246 N ALA A 16 -17.144 8.601 3.313 1.00 0.00 N ATOM 247 CA ALA A 16 -16.615 8.148 4.598 1.00 0.00 C ATOM 248 C ALA A 16 -15.349 7.330 4.419 1.00 0.00 C ATOM 249 O ALA A 16 -14.290 7.660 4.945 1.00 0.00 O ATOM 250 CB ALA A 16 -17.647 7.273 5.272 1.00 0.00 C ATOM 0 H ALA A 16 -18.131 8.383 3.176 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.386 9.028 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.262 6.930 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.561 7.845 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.863 6.412 4.639 1.00 0.00 H new ATOM 256 N ILE A 17 -15.495 6.248 3.677 1.00 0.00 N ATOM 257 CA ILE A 17 -14.410 5.323 3.414 1.00 0.00 C ATOM 258 C ILE A 17 -13.364 5.979 2.547 1.00 0.00 C ATOM 259 O ILE A 17 -12.168 5.803 2.750 1.00 0.00 O ATOM 260 CB ILE A 17 -14.936 4.086 2.680 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.790 3.216 3.608 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.800 3.261 2.084 1.00 0.00 C ATOM 263 CD1 ILE A 17 -17.228 3.665 3.748 1.00 0.00 C ATOM 0 H ILE A 17 -16.377 5.985 3.237 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.974 5.033 4.370 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.562 4.441 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.778 2.191 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.330 3.202 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.212 2.392 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.242 3.871 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.134 2.930 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.756 2.991 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.255 4.677 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.710 3.651 2.771 1.00 0.00 H new ATOM 275 N ARG A 18 -13.843 6.724 1.560 1.00 0.00 N ATOM 276 CA ARG A 18 -12.956 7.425 0.671 1.00 0.00 C ATOM 277 C ARG A 18 -12.018 8.282 1.511 1.00 0.00 C ATOM 278 O ARG A 18 -10.802 8.270 1.332 1.00 0.00 O ATOM 279 CB ARG A 18 -13.729 8.298 -0.321 1.00 0.00 C ATOM 280 CG ARG A 18 -14.651 7.518 -1.241 1.00 0.00 C ATOM 281 CD ARG A 18 -15.442 8.441 -2.158 1.00 0.00 C ATOM 282 NE ARG A 18 -16.364 7.695 -3.010 1.00 0.00 N ATOM 283 CZ ARG A 18 -17.556 8.142 -3.403 1.00 0.00 C ATOM 284 NH1 ARG A 18 -17.989 9.342 -3.025 1.00 0.00 N ATOM 285 NH2 ARG A 18 -18.317 7.383 -4.183 1.00 0.00 N ATOM 0 H ARG A 18 -14.836 6.852 1.364 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.389 6.701 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.319 9.027 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.017 8.859 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.064 6.824 -1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.340 6.920 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.001 9.159 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.754 9.013 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.076 6.769 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.407 9.930 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.903 9.674 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.988 6.464 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.231 7.719 -4.487 1.00 0.00 H new ATOM 299 N ASN A 19 -12.616 8.999 2.458 1.00 0.00 N ATOM 300 CA ASN A 19 -11.875 9.741 3.465 1.00 0.00 C ATOM 301 C ASN A 19 -11.009 8.800 4.286 1.00 0.00 C ATOM 302 O ASN A 19 -9.815 9.007 4.383 1.00 0.00 O ATOM 303 CB ASN A 19 -12.832 10.514 4.379 1.00 0.00 C ATOM 304 CG ASN A 19 -13.033 11.947 3.930 1.00 0.00 C ATOM 305 OD1 ASN A 19 -12.908 12.262 2.747 1.00 0.00 O ATOM 306 ND2 ASN A 19 -13.354 12.823 4.868 1.00 0.00 N ATOM 0 H ASN A 19 -13.629 9.080 2.546 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.229 10.457 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.796 10.006 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.442 10.507 5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.508 13.801 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.448 12.521 5.838 1.00 0.00 H new ATOM 313 N TYR A 20 -11.619 7.748 4.835 1.00 0.00 N ATOM 314 CA TYR A 20 -10.911 6.735 5.634 1.00 0.00 C ATOM 315 C TYR A 20 -9.584 6.349 4.971 1.00 0.00 C ATOM 316 O TYR A 20 -8.537 6.274 5.623 1.00 0.00 O ATOM 317 CB TYR A 20 -11.795 5.478 5.774 1.00 0.00 C ATOM 318 CG TYR A 20 -11.339 4.471 6.818 1.00 0.00 C ATOM 319 CD1 TYR A 20 -12.206 4.040 7.814 1.00 0.00 C ATOM 320 CD2 TYR A 20 -10.054 3.941 6.801 1.00 0.00 C ATOM 321 CE1 TYR A 20 -11.806 3.116 8.763 1.00 0.00 C ATOM 322 CE2 TYR A 20 -9.646 3.021 7.745 1.00 0.00 C ATOM 323 CZ TYR A 20 -10.524 2.611 8.722 1.00 0.00 C ATOM 324 OH TYR A 20 -10.116 1.696 9.666 1.00 0.00 O ATOM 0 H TYR A 20 -12.619 7.570 4.740 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.702 7.155 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.809 5.794 6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.840 4.977 4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.211 4.434 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.362 4.255 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.493 2.793 9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.642 2.624 7.717 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.186 1.441 9.493 1.00 0.00 H new ATOM 334 N ILE A 21 -9.634 6.156 3.661 1.00 0.00 N ATOM 335 CA ILE A 21 -8.510 5.634 2.939 1.00 0.00 C ATOM 336 C ILE A 21 -7.635 6.789 2.579 1.00 0.00 C ATOM 337 O ILE A 21 -6.418 6.672 2.475 1.00 0.00 O ATOM 338 CB ILE A 21 -8.959 4.948 1.650 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.974 3.836 1.942 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.760 4.390 0.893 1.00 0.00 C ATOM 341 CD1 ILE A 21 -9.443 2.734 2.840 1.00 0.00 C ATOM 0 H ILE A 21 -10.451 6.358 3.084 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.988 4.903 3.556 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.447 5.696 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.856 4.276 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.298 3.397 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.101 3.905 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.078 5.203 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.242 3.662 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.221 1.987 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.580 2.265 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.146 3.158 3.799 1.00 0.00 H new ATOM 353 N GLU A 22 -8.286 7.926 2.422 1.00 0.00 N ATOM 354 CA GLU A 22 -7.602 9.124 2.045 1.00 0.00 C ATOM 355 C GLU A 22 -6.644 9.502 3.162 1.00 0.00 C ATOM 356 O GLU A 22 -5.524 9.968 2.939 1.00 0.00 O ATOM 357 CB GLU A 22 -8.588 10.265 1.765 1.00 0.00 C ATOM 358 CG GLU A 22 -7.940 11.541 1.247 1.00 0.00 C ATOM 359 CD GLU A 22 -8.951 12.645 0.994 1.00 0.00 C ATOM 360 OE1 GLU A 22 -9.584 12.647 -0.080 1.00 0.00 O ATOM 361 OE2 GLU A 22 -9.118 13.519 1.870 1.00 0.00 O ATOM 0 H GLU A 22 -9.292 8.034 2.553 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.048 8.949 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.323 9.923 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.131 10.494 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.201 11.888 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.405 11.324 0.322 1.00 0.00 H new ATOM 368 N GLU A 23 -7.108 9.245 4.373 1.00 0.00 N ATOM 369 CA GLU A 23 -6.350 9.503 5.577 1.00 0.00 C ATOM 370 C GLU A 23 -5.304 8.421 5.769 1.00 0.00 C ATOM 371 O GLU A 23 -4.157 8.715 6.067 1.00 0.00 O ATOM 372 CB GLU A 23 -7.285 9.536 6.779 1.00 0.00 C ATOM 373 CG GLU A 23 -8.576 10.283 6.505 1.00 0.00 C ATOM 374 CD GLU A 23 -9.526 10.255 7.682 1.00 0.00 C ATOM 375 OE1 GLU A 23 -9.807 9.154 8.200 1.00 0.00 O ATOM 376 OE2 GLU A 23 -9.993 11.337 8.097 1.00 0.00 O ATOM 0 H GLU A 23 -8.031 8.847 4.546 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.852 10.468 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.519 8.514 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.772 10.004 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.346 11.318 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.067 9.845 5.636 1.00 0.00 H new ATOM 383 N LYS A 24 -5.712 7.163 5.597 1.00 0.00 N ATOM 384 CA LYS A 24 -4.774 6.047 5.688 1.00 0.00 C ATOM 385 C LYS A 24 -3.607 6.250 4.712 1.00 0.00 C ATOM 386 O LYS A 24 -2.455 6.344 5.122 1.00 0.00 O ATOM 387 CB LYS A 24 -5.503 4.726 5.409 1.00 0.00 C ATOM 388 CG LYS A 24 -4.595 3.506 5.409 1.00 0.00 C ATOM 389 CD LYS A 24 -5.385 2.209 5.265 1.00 0.00 C ATOM 390 CE LYS A 24 -6.028 1.784 6.579 1.00 0.00 C ATOM 391 NZ LYS A 24 -5.032 1.239 7.547 1.00 0.00 N ATOM 0 H LYS A 24 -6.675 6.894 5.396 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.365 6.006 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.281 4.587 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.001 4.795 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.878 3.587 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.021 3.481 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.158 2.338 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.723 1.418 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.535 2.639 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.789 1.029 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.242 0.238 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.076 1.323 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.083 1.775 8.436 1.00 0.00 H new ATOM 405 N ILE A 25 -3.937 6.353 3.425 1.00 0.00 N ATOM 406 CA ILE A 25 -2.945 6.581 2.382 1.00 0.00 C ATOM 407 C ILE A 25 -2.204 7.886 2.641 1.00 0.00 C ATOM 408 O ILE A 25 -0.995 7.969 2.443 1.00 0.00 O ATOM 409 CB ILE A 25 -3.588 6.620 0.974 1.00 0.00 C ATOM 410 CG1 ILE A 25 -4.293 5.295 0.662 1.00 0.00 C ATOM 411 CG2 ILE A 25 -2.546 6.930 -0.095 1.00 0.00 C ATOM 412 CD1 ILE A 25 -3.385 4.083 0.712 1.00 0.00 C ATOM 0 H ILE A 25 -4.894 6.281 3.080 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.244 5.747 2.409 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.331 7.418 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.108 5.154 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.741 5.359 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.024 6.951 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.093 7.900 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.774 6.160 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.961 3.187 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.583 4.199 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.957 3.990 1.710 1.00 0.00 H new ATOM 424 N GLY A 26 -2.935 8.895 3.100 1.00 0.00 N ATOM 425 CA GLY A 26 -2.316 10.148 3.471 1.00 0.00 C ATOM 426 C GLY A 26 -1.305 9.987 4.590 1.00 0.00 C ATOM 427 O GLY A 26 -0.271 10.654 4.601 1.00 0.00 O ATOM 0 H GLY A 26 -3.947 8.865 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.823 10.578 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.087 10.853 3.781 1.00 0.00 H new ATOM 431 N LYS A 27 -1.566 9.061 5.511 1.00 0.00 N ATOM 432 CA LYS A 27 -0.703 8.891 6.655 1.00 0.00 C ATOM 433 C LYS A 27 0.479 8.055 6.246 1.00 0.00 C ATOM 434 O LYS A 27 1.578 8.190 6.784 1.00 0.00 O ATOM 435 CB LYS A 27 -1.450 8.258 7.829 1.00 0.00 C ATOM 436 CG LYS A 27 -1.929 9.267 8.868 1.00 0.00 C ATOM 437 CD LYS A 27 -2.799 10.354 8.251 1.00 0.00 C ATOM 438 CE LYS A 27 -3.257 11.364 9.289 1.00 0.00 C ATOM 439 NZ LYS A 27 -4.128 10.748 10.325 1.00 0.00 N ATOM 0 H LYS A 27 -2.364 8.427 5.479 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.358 9.867 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.310 7.708 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.797 7.532 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.493 8.748 9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.067 9.725 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.241 10.866 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.669 9.899 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.386 11.811 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.798 12.171 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.566 11.496 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.872 10.186 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.557 10.131 10.937 1.00 0.00 H new ATOM 453 N LEU A 28 0.245 7.200 5.266 1.00 0.00 N ATOM 454 CA LEU A 28 1.326 6.457 4.654 1.00 0.00 C ATOM 455 C LEU A 28 2.213 7.403 3.861 1.00 0.00 C ATOM 456 O LEU A 28 3.439 7.308 3.886 1.00 0.00 O ATOM 457 CB LEU A 28 0.756 5.373 3.773 1.00 0.00 C ATOM 458 CG LEU A 28 -0.300 4.575 4.496 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.979 3.589 3.559 1.00 0.00 C ATOM 460 CD2 LEU A 28 0.308 3.855 5.686 1.00 0.00 C ATOM 0 H LEU A 28 -0.679 7.005 4.881 1.00 0.00 H new ATOM 0 HA LEU A 28 1.937 5.986 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.326 5.819 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.556 4.709 3.447 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.061 5.266 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.735 3.028 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.452 4.132 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.237 2.900 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.465 3.283 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.091 3.179 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.735 4.585 6.373 1.00 0.00 H new ATOM 472 N GLU A 29 1.561 8.336 3.180 1.00 0.00 N ATOM 473 CA GLU A 29 2.235 9.400 2.454 1.00 0.00 C ATOM 474 C GLU A 29 3.038 10.274 3.414 1.00 0.00 C ATOM 475 O GLU A 29 4.103 10.779 3.066 1.00 0.00 O ATOM 476 CB GLU A 29 1.194 10.239 1.706 1.00 0.00 C ATOM 477 CG GLU A 29 1.765 11.439 0.975 1.00 0.00 C ATOM 478 CD GLU A 29 1.078 12.727 1.368 1.00 0.00 C ATOM 479 OE1 GLU A 29 1.663 13.502 2.155 1.00 0.00 O ATOM 480 OE2 GLU A 29 -0.052 12.977 0.899 1.00 0.00 O ATOM 0 H GLU A 29 0.544 8.375 3.116 1.00 0.00 H new ATOM 0 HA GLU A 29 2.928 8.964 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.680 9.601 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.445 10.585 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.831 11.518 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.665 11.289 -0.100 1.00 0.00 H new ATOM 487 N ARG A 30 2.520 10.439 4.628 1.00 0.00 N ATOM 488 CA ARG A 30 3.201 11.227 5.653 1.00 0.00 C ATOM 489 C ARG A 30 4.531 10.627 6.084 1.00 0.00 C ATOM 490 O ARG A 30 5.331 11.300 6.737 1.00 0.00 O ATOM 491 CB ARG A 30 2.316 11.428 6.862 1.00 0.00 C ATOM 492 CG ARG A 30 1.117 12.342 6.641 1.00 0.00 C ATOM 493 CD ARG A 30 1.534 13.772 6.332 1.00 0.00 C ATOM 494 NE ARG A 30 2.135 13.904 5.007 1.00 0.00 N ATOM 495 CZ ARG A 30 3.170 14.689 4.735 1.00 0.00 C ATOM 496 NH1 ARG A 30 3.725 15.422 5.693 1.00 0.00 N ATOM 497 NH2 ARG A 30 3.643 14.741 3.499 1.00 0.00 N ATOM 0 H ARG A 30 1.631 10.038 4.927 1.00 0.00 H new ATOM 0 HA ARG A 30 3.415 12.192 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.955 10.455 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.921 11.837 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.514 11.955 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.487 12.333 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.663 14.424 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.245 14.111 7.086 1.00 0.00 H new ATOM 0 HE ARG A 30 1.734 13.359 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.356 15.383 6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.520 16.024 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.212 14.180 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.438 15.342 3.282 1.00 0.00 H new ATOM 511 N TYR A 31 4.782 9.374 5.732 1.00 0.00 N ATOM 512 CA TYR A 31 6.087 8.783 5.989 1.00 0.00 C ATOM 513 C TYR A 31 7.127 9.413 5.077 1.00 0.00 C ATOM 514 O TYR A 31 8.330 9.322 5.326 1.00 0.00 O ATOM 515 CB TYR A 31 6.073 7.267 5.782 1.00 0.00 C ATOM 516 CG TYR A 31 5.376 6.502 6.885 1.00 0.00 C ATOM 517 CD1 TYR A 31 5.759 6.669 8.207 1.00 0.00 C ATOM 518 CD2 TYR A 31 4.353 5.603 6.607 1.00 0.00 C ATOM 519 CE1 TYR A 31 5.145 5.967 9.224 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.730 4.897 7.621 1.00 0.00 C ATOM 521 CZ TYR A 31 4.132 5.085 8.928 1.00 0.00 C ATOM 522 OH TYR A 31 3.526 4.385 9.945 1.00 0.00 O ATOM 0 H TYR A 31 4.112 8.756 5.275 1.00 0.00 H new ATOM 0 HA TYR A 31 6.340 8.978 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.583 7.045 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.100 6.912 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.553 7.361 8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.040 5.453 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.458 6.109 10.248 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.935 4.204 7.391 1.00 0.00 H new ATOM 0 HH TYR A 31 3.614 3.423 9.778 1.00 0.00 H new ATOM 532 N PHE A 32 6.653 10.065 4.023 1.00 0.00 N ATOM 533 CA PHE A 32 7.515 10.641 3.035 1.00 0.00 C ATOM 534 C PHE A 32 7.389 12.145 3.059 1.00 0.00 C ATOM 535 O PHE A 32 6.395 12.688 3.546 1.00 0.00 O ATOM 536 CB PHE A 32 7.099 10.185 1.653 1.00 0.00 C ATOM 537 CG PHE A 32 6.486 8.805 1.574 1.00 0.00 C ATOM 538 CD1 PHE A 32 7.120 7.707 2.137 1.00 0.00 C ATOM 539 CD2 PHE A 32 5.284 8.608 0.914 1.00 0.00 C ATOM 540 CE1 PHE A 32 6.563 6.445 2.043 1.00 0.00 C ATOM 541 CE2 PHE A 32 4.723 7.349 0.821 1.00 0.00 C ATOM 542 CZ PHE A 32 5.364 6.267 1.387 1.00 0.00 C ATOM 0 H PHE A 32 5.659 10.202 3.842 1.00 0.00 H new ATOM 0 HA PHE A 32 8.536 10.330 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.383 10.904 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.974 10.212 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.059 7.839 2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.778 9.451 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.068 5.598 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.784 7.212 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.927 5.282 1.316 1.00 0.00 H new ATOM 552 N ASN A 33 8.394 12.824 2.553 1.00 0.00 N ATOM 553 CA ASN A 33 8.252 14.237 2.288 1.00 0.00 C ATOM 554 C ASN A 33 8.576 14.558 0.833 1.00 0.00 C ATOM 555 O ASN A 33 8.038 15.502 0.259 1.00 0.00 O ATOM 556 CB ASN A 33 9.103 15.080 3.250 1.00 0.00 C ATOM 557 CG ASN A 33 10.587 14.776 3.161 1.00 0.00 C ATOM 558 OD1 ASN A 33 11.087 13.867 3.825 1.00 0.00 O ATOM 559 ND2 ASN A 33 11.305 15.543 2.363 1.00 0.00 N ATOM 0 H ASN A 33 9.305 12.428 2.320 1.00 0.00 H new ATOM 0 HA ASN A 33 7.209 14.501 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.942 16.137 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.764 14.906 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.310 15.393 2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.855 16.286 1.829 1.00 0.00 H new ATOM 566 N ASP A 34 9.451 13.758 0.237 1.00 0.00 N ATOM 567 CA ASP A 34 9.874 13.955 -1.123 1.00 0.00 C ATOM 568 C ASP A 34 8.972 13.226 -2.105 1.00 0.00 C ATOM 569 O ASP A 34 9.416 12.827 -3.182 1.00 0.00 O ATOM 570 CB ASP A 34 11.323 13.506 -1.326 1.00 0.00 C ATOM 571 CG ASP A 34 12.328 14.392 -0.621 1.00 0.00 C ATOM 572 OD1 ASP A 34 12.920 13.945 0.385 1.00 0.00 O ATOM 573 OD2 ASP A 34 12.542 15.537 -1.078 1.00 0.00 O ATOM 0 H ASP A 34 9.882 12.955 0.694 1.00 0.00 H new ATOM 0 HA ASP A 34 9.805 15.025 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.433 12.484 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.546 13.493 -2.393 1.00 0.00 H new ATOM 578 N VAL A 35 7.719 13.030 -1.724 1.00 0.00 N ATOM 579 CA VAL A 35 6.796 12.238 -2.522 1.00 0.00 C ATOM 580 C VAL A 35 5.865 13.108 -3.377 1.00 0.00 C ATOM 581 O VAL A 35 4.932 13.738 -2.875 1.00 0.00 O ATOM 582 CB VAL A 35 5.974 11.269 -1.635 1.00 0.00 C ATOM 583 CG1 VAL A 35 5.132 12.014 -0.608 1.00 0.00 C ATOM 584 CG2 VAL A 35 5.104 10.361 -2.489 1.00 0.00 C ATOM 0 H VAL A 35 7.318 13.409 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 35 7.406 11.648 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 35 6.685 10.651 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.572 11.297 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.783 12.600 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.437 12.679 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.536 9.690 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.416 10.966 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.735 9.775 -3.157 1.00 0.00 H new ATOM 594 N PRO A 36 6.141 13.186 -4.688 1.00 0.00 N ATOM 595 CA PRO A 36 5.256 13.823 -5.648 1.00 0.00 C ATOM 596 C PRO A 36 4.374 12.810 -6.378 1.00 0.00 C ATOM 597 O PRO A 36 3.475 13.180 -7.133 1.00 0.00 O ATOM 598 CB PRO A 36 6.246 14.463 -6.614 1.00 0.00 C ATOM 599 CG PRO A 36 7.436 13.551 -6.612 1.00 0.00 C ATOM 600 CD PRO A 36 7.371 12.723 -5.345 1.00 0.00 C ATOM 0 HA PRO A 36 4.557 14.521 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.820 14.553 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.518 15.468 -6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.428 12.907 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.361 14.127 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.330 11.656 -5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.246 12.885 -4.716 1.00 0.00 H new ATOM 608 N ASN A 37 4.635 11.527 -6.153 1.00 0.00 N ATOM 609 CA ASN A 37 3.900 10.470 -6.831 1.00 0.00 C ATOM 610 C ASN A 37 3.698 9.268 -5.915 1.00 0.00 C ATOM 611 O ASN A 37 4.654 8.708 -5.374 1.00 0.00 O ATOM 612 CB ASN A 37 4.614 10.062 -8.131 1.00 0.00 C ATOM 613 CG ASN A 37 5.999 9.482 -7.908 1.00 0.00 C ATOM 614 OD1 ASN A 37 6.973 10.217 -7.731 1.00 0.00 O ATOM 615 ND2 ASN A 37 6.103 8.164 -7.953 1.00 0.00 N ATOM 0 H ASN A 37 5.350 11.196 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 37 2.914 10.855 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.003 9.329 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.695 10.934 -8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.014 7.720 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.272 7.592 -8.102 1.00 0.00 H new ATOM 622 N ALA A 38 2.437 8.911 -5.727 1.00 0.00 N ATOM 623 CA ALA A 38 2.042 7.791 -4.885 1.00 0.00 C ATOM 624 C ALA A 38 0.573 7.479 -5.153 1.00 0.00 C ATOM 625 O ALA A 38 -0.282 8.335 -4.960 1.00 0.00 O ATOM 626 CB ALA A 38 2.249 8.134 -3.414 1.00 0.00 C ATOM 0 H ALA A 38 1.650 9.395 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 38 2.655 6.920 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.949 7.287 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.301 8.357 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.645 9.003 -3.155 1.00 0.00 H new ATOM 632 N VAL A 39 0.290 6.279 -5.628 1.00 0.00 N ATOM 633 CA VAL A 39 -1.038 5.900 -5.999 1.00 0.00 C ATOM 634 C VAL A 39 -1.515 4.727 -5.139 1.00 0.00 C ATOM 635 O VAL A 39 -0.704 3.977 -4.621 1.00 0.00 O ATOM 636 CB VAL A 39 -1.026 5.500 -7.486 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.051 4.434 -7.758 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.242 6.707 -8.374 1.00 0.00 C ATOM 0 H VAL A 39 0.986 5.546 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.722 6.734 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.044 5.089 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.026 4.166 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.829 3.554 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.042 4.809 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.229 6.397 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.205 7.162 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.447 7.433 -8.201 1.00 0.00 H new ATOM 648 N ALA A 40 -2.824 4.601 -4.972 1.00 0.00 N ATOM 649 CA ALA A 40 -3.420 3.402 -4.388 1.00 0.00 C ATOM 650 C ALA A 40 -4.581 2.941 -5.250 1.00 0.00 C ATOM 651 O ALA A 40 -5.717 3.371 -5.064 1.00 0.00 O ATOM 652 CB ALA A 40 -3.903 3.676 -2.971 1.00 0.00 C ATOM 0 H ALA A 40 -3.500 5.319 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.663 2.619 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.343 2.770 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.061 3.987 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.652 4.468 -2.989 1.00 0.00 H new ATOM 658 N HIS A 41 -4.280 2.099 -6.218 1.00 0.00 N ATOM 659 CA HIS A 41 -5.297 1.489 -7.053 1.00 0.00 C ATOM 660 C HIS A 41 -5.831 0.266 -6.332 1.00 0.00 C ATOM 661 O HIS A 41 -5.213 -0.793 -6.358 1.00 0.00 O ATOM 662 CB HIS A 41 -4.709 1.091 -8.408 1.00 0.00 C ATOM 663 CG HIS A 41 -5.723 0.551 -9.368 1.00 0.00 C ATOM 664 ND1 HIS A 41 -6.104 -0.773 -9.402 1.00 0.00 N ATOM 665 CD2 HIS A 41 -6.435 1.169 -10.336 1.00 0.00 C ATOM 666 CE1 HIS A 41 -7.003 -0.944 -10.351 1.00 0.00 C ATOM 667 NE2 HIS A 41 -7.222 0.219 -10.932 1.00 0.00 N ATOM 0 H HIS A 41 -3.327 1.818 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 41 -6.104 2.199 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.226 1.960 -8.854 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.934 0.341 -8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.392 2.217 -10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.479 -1.878 -10.609 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.872 0.385 -11.701 1.00 0.00 H new ATOM 676 N VAL A 42 -6.957 0.411 -5.670 1.00 0.00 N ATOM 677 CA VAL A 42 -7.437 -0.603 -4.785 1.00 0.00 C ATOM 678 C VAL A 42 -8.824 -0.998 -5.192 1.00 0.00 C ATOM 679 O VAL A 42 -9.590 -0.180 -5.660 1.00 0.00 O ATOM 680 CB VAL A 42 -7.417 -0.026 -3.377 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.511 -0.616 -2.546 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.078 -0.300 -2.762 1.00 0.00 C ATOM 0 H VAL A 42 -7.556 1.234 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.813 -1.496 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.584 1.050 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.477 -0.189 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.475 -0.394 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.379 -1.696 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.051 0.109 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.909 -1.376 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.299 0.168 -3.364 1.00 0.00 H new ATOM 692 N LYS A 43 -9.123 -2.251 -5.031 1.00 0.00 N ATOM 693 CA LYS A 43 -10.403 -2.771 -5.484 1.00 0.00 C ATOM 694 C LYS A 43 -10.841 -3.943 -4.645 1.00 0.00 C ATOM 695 O LYS A 43 -10.203 -4.983 -4.595 1.00 0.00 O ATOM 696 CB LYS A 43 -10.332 -3.130 -6.977 1.00 0.00 C ATOM 697 CG LYS A 43 -11.655 -3.543 -7.602 1.00 0.00 C ATOM 698 CD LYS A 43 -11.513 -3.685 -9.107 1.00 0.00 C ATOM 699 CE LYS A 43 -12.858 -3.814 -9.805 1.00 0.00 C ATOM 700 NZ LYS A 43 -13.569 -5.067 -9.442 1.00 0.00 N ATOM 0 H LYS A 43 -8.510 -2.939 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.158 -1.994 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.941 -2.272 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.617 -3.942 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.988 -4.488 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.420 -2.801 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.983 -2.819 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.905 -4.561 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.482 -2.958 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.708 -3.785 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.586 -4.873 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.424 -5.777 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.196 -5.430 -8.542 1.00 0.00 H new ATOM 714 N VAL A 44 -11.928 -3.727 -3.962 1.00 0.00 N ATOM 715 CA VAL A 44 -12.546 -4.733 -3.144 1.00 0.00 C ATOM 716 C VAL A 44 -13.746 -5.287 -3.905 1.00 0.00 C ATOM 717 O VAL A 44 -14.253 -4.639 -4.817 1.00 0.00 O ATOM 718 CB VAL A 44 -13.009 -4.140 -1.804 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.271 -3.352 -2.009 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.210 -5.228 -0.770 1.00 0.00 C ATOM 0 H VAL A 44 -12.419 -2.833 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.827 -5.523 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.234 -3.472 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.597 -2.933 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.085 -2.544 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.049 -4.007 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.538 -4.782 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.967 -5.929 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.271 -5.758 -0.612 1.00 0.00 H new ATOM 730 N LYS A 45 -14.148 -6.487 -3.561 1.00 0.00 N ATOM 731 CA LYS A 45 -15.184 -7.215 -4.272 1.00 0.00 C ATOM 732 C LYS A 45 -15.822 -8.225 -3.325 1.00 0.00 C ATOM 733 O LYS A 45 -15.149 -9.135 -2.836 1.00 0.00 O ATOM 734 CB LYS A 45 -14.571 -7.971 -5.459 1.00 0.00 C ATOM 735 CG LYS A 45 -13.969 -7.089 -6.544 1.00 0.00 C ATOM 736 CD LYS A 45 -12.983 -7.855 -7.419 1.00 0.00 C ATOM 737 CE LYS A 45 -11.768 -8.325 -6.625 1.00 0.00 C ATOM 738 NZ LYS A 45 -10.729 -8.943 -7.496 1.00 0.00 N ATOM 0 H LYS A 45 -13.761 -6.998 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.932 -6.511 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.796 -8.639 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.342 -8.598 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.767 -6.683 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.462 -6.241 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.483 -8.716 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.656 -7.218 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.335 -7.479 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.085 -9.047 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.931 -9.262 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.137 -9.757 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.393 -8.242 -8.187 1.00 0.00 H new ATOM 752 N THR A 46 -17.090 -8.037 -3.026 1.00 0.00 N ATOM 753 CA THR A 46 -17.810 -8.965 -2.174 1.00 0.00 C ATOM 754 C THR A 46 -19.312 -8.776 -2.310 1.00 0.00 C ATOM 755 O THR A 46 -19.783 -7.695 -2.675 1.00 0.00 O ATOM 756 CB THR A 46 -17.410 -8.797 -0.698 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.167 -9.684 0.134 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.625 -7.370 -0.243 1.00 0.00 C ATOM 0 H THR A 46 -17.646 -7.250 -3.360 1.00 0.00 H new ATOM 0 HA THR A 46 -17.543 -9.970 -2.500 1.00 0.00 H new ATOM 0 HB THR A 46 -16.351 -9.041 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.557 -9.181 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.336 -7.274 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.017 -6.699 -0.850 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.677 -7.107 -0.354 1.00 0.00 H new ATOM 766 N TYR A 47 -20.050 -9.838 -2.048 1.00 0.00 N ATOM 767 CA TYR A 47 -21.478 -9.739 -1.836 1.00 0.00 C ATOM 768 C TYR A 47 -21.833 -10.645 -0.669 1.00 0.00 C ATOM 769 O TYR A 47 -22.518 -11.660 -0.823 1.00 0.00 O ATOM 770 CB TYR A 47 -22.254 -10.129 -3.099 1.00 0.00 C ATOM 771 CG TYR A 47 -23.703 -9.695 -3.073 1.00 0.00 C ATOM 772 CD1 TYR A 47 -24.732 -10.622 -2.958 1.00 0.00 C ATOM 773 CD2 TYR A 47 -24.040 -8.350 -3.155 1.00 0.00 C ATOM 774 CE1 TYR A 47 -26.054 -10.220 -2.927 1.00 0.00 C ATOM 775 CE2 TYR A 47 -25.358 -7.941 -3.125 1.00 0.00 C ATOM 776 CZ TYR A 47 -26.361 -8.878 -3.012 1.00 0.00 C ATOM 777 OH TYR A 47 -27.677 -8.471 -2.978 1.00 0.00 O ATOM 0 H TYR A 47 -19.679 -10.785 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 47 -21.755 -8.709 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -21.766 -9.687 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.209 -11.211 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -24.495 -11.674 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -23.257 -7.611 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -26.842 -10.953 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -25.602 -6.891 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 47 -27.719 -7.494 -3.048 1.00 0.00 H new ATOM 787 N SER A 48 -21.338 -10.255 0.499 1.00 0.00 N ATOM 788 CA SER A 48 -21.445 -11.047 1.709 1.00 0.00 C ATOM 789 C SER A 48 -20.759 -10.321 2.859 1.00 0.00 C ATOM 790 O SER A 48 -19.799 -9.573 2.653 1.00 0.00 O ATOM 791 CB SER A 48 -20.788 -12.418 1.505 1.00 0.00 C ATOM 792 OG SER A 48 -20.814 -13.185 2.698 1.00 0.00 O ATOM 0 H SER A 48 -20.847 -9.371 0.630 1.00 0.00 H new ATOM 0 HA SER A 48 -22.500 -11.190 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.306 -12.957 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 48 -19.757 -12.284 1.179 1.00 0.00 H new ATOM 0 HG SER A 48 -20.390 -14.054 2.538 1.00 0.00 H new ATOM 798 N ASN A 49 -21.246 -10.553 4.070 1.00 0.00 N ATOM 799 CA ASN A 49 -20.664 -9.944 5.260 1.00 0.00 C ATOM 800 C ASN A 49 -19.459 -10.753 5.729 1.00 0.00 C ATOM 801 O ASN A 49 -18.762 -10.369 6.669 1.00 0.00 O ATOM 802 CB ASN A 49 -21.706 -9.849 6.384 1.00 0.00 C ATOM 803 CG ASN A 49 -22.025 -11.193 7.017 1.00 0.00 C ATOM 804 OD1 ASN A 49 -21.423 -11.580 8.017 1.00 0.00 O ATOM 805 ND2 ASN A 49 -22.980 -11.908 6.449 1.00 0.00 N ATOM 0 H ASN A 49 -22.045 -11.160 4.255 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.337 -8.936 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -21.340 -9.169 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -22.623 -9.415 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -23.240 -12.814 6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -23.457 -11.554 5.620 1.00 0.00 H new ATOM 812 N SER A 50 -19.218 -11.874 5.059 1.00 0.00 N ATOM 813 CA SER A 50 -18.129 -12.767 5.423 1.00 0.00 C ATOM 814 C SER A 50 -16.961 -12.626 4.468 1.00 0.00 C ATOM 815 O SER A 50 -16.010 -13.409 4.490 1.00 0.00 O ATOM 816 CB SER A 50 -18.617 -14.215 5.470 1.00 0.00 C ATOM 817 OG SER A 50 -19.767 -14.335 6.291 1.00 0.00 O ATOM 0 H SER A 50 -19.766 -12.185 4.257 1.00 0.00 H new ATOM 0 HA SER A 50 -17.781 -12.486 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.848 -14.558 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.824 -14.858 5.852 1.00 0.00 H new ATOM 0 HG SER A 50 -20.063 -15.269 6.305 1.00 0.00 H new ATOM 823 N ALA A 51 -17.044 -11.624 3.634 1.00 0.00 N ATOM 824 CA ALA A 51 -16.035 -11.399 2.610 1.00 0.00 C ATOM 825 C ALA A 51 -15.794 -9.936 2.363 1.00 0.00 C ATOM 826 O ALA A 51 -16.682 -9.104 2.538 1.00 0.00 O ATOM 827 CB ALA A 51 -16.444 -12.004 1.284 1.00 0.00 C ATOM 0 H ALA A 51 -17.802 -10.941 3.637 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.129 -11.872 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.667 -11.816 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -16.582 -13.079 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.379 -11.553 0.951 1.00 0.00 H new ATOM 833 N THR A 52 -14.570 -9.634 1.968 1.00 0.00 N ATOM 834 CA THR A 52 -14.282 -8.470 1.232 1.00 0.00 C ATOM 835 C THR A 52 -13.006 -8.694 0.428 1.00 0.00 C ATOM 836 O THR A 52 -11.917 -8.412 0.913 1.00 0.00 O ATOM 837 CB THR A 52 -14.130 -7.237 2.119 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.320 -7.654 3.440 1.00 0.00 O ATOM 839 CG2 THR A 52 -15.145 -6.156 1.776 1.00 0.00 C ATOM 0 H THR A 52 -13.754 -10.214 2.165 1.00 0.00 H new ATOM 0 HA THR A 52 -15.125 -8.278 0.568 1.00 0.00 H new ATOM 0 HB THR A 52 -13.141 -6.803 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.842 -6.980 3.924 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.999 -5.298 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.011 -5.847 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.153 -6.548 1.910 1.00 0.00 H new ATOM 847 N LYS A 53 -13.132 -9.219 -0.786 1.00 0.00 N ATOM 848 CA LYS A 53 -11.956 -9.604 -1.563 1.00 0.00 C ATOM 849 C LYS A 53 -11.290 -8.382 -2.157 1.00 0.00 C ATOM 850 O LYS A 53 -11.922 -7.600 -2.839 1.00 0.00 O ATOM 851 CB LYS A 53 -12.344 -10.583 -2.671 1.00 0.00 C ATOM 852 CG LYS A 53 -11.170 -11.042 -3.522 1.00 0.00 C ATOM 853 CD LYS A 53 -11.631 -11.840 -4.731 1.00 0.00 C ATOM 854 CE LYS A 53 -12.383 -13.097 -4.328 1.00 0.00 C ATOM 855 NZ LYS A 53 -12.862 -13.857 -5.509 1.00 0.00 N ATOM 0 H LYS A 53 -14.025 -9.387 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.250 -10.096 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.819 -11.456 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.086 -10.112 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.600 -10.174 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.499 -11.652 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.273 -11.217 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.767 -12.113 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.733 -13.732 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.233 -12.827 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.370 -14.707 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.503 -13.260 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.049 -14.137 -6.094 1.00 0.00 H new ATOM 869 N ILE A 54 -10.010 -8.230 -1.915 1.00 0.00 N ATOM 870 CA ILE A 54 -9.325 -7.010 -2.274 1.00 0.00 C ATOM 871 C ILE A 54 -8.218 -7.220 -3.261 1.00 0.00 C ATOM 872 O ILE A 54 -7.704 -8.329 -3.442 1.00 0.00 O ATOM 873 CB ILE A 54 -8.703 -6.304 -1.063 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.033 -7.287 -0.081 1.00 0.00 C ATOM 875 CG2 ILE A 54 -9.762 -5.483 -0.415 1.00 0.00 C ATOM 876 CD1 ILE A 54 -8.969 -7.948 0.910 1.00 0.00 C ATOM 0 H ILE A 54 -9.421 -8.935 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.109 -6.397 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.893 -5.656 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.531 -8.065 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.262 -6.752 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.345 -4.969 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.139 -4.748 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.579 -6.130 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.401 -8.619 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.453 -7.184 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.727 -8.517 0.371 1.00 0.00 H new ATOM 888 N GLU A 55 -7.854 -6.120 -3.882 1.00 0.00 N ATOM 889 CA GLU A 55 -6.700 -6.043 -4.687 1.00 0.00 C ATOM 890 C GLU A 55 -6.201 -4.618 -4.625 1.00 0.00 C ATOM 891 O GLU A 55 -6.820 -3.697 -5.152 1.00 0.00 O ATOM 892 CB GLU A 55 -6.988 -6.436 -6.118 1.00 0.00 C ATOM 893 CG GLU A 55 -8.348 -6.014 -6.622 1.00 0.00 C ATOM 894 CD GLU A 55 -8.485 -6.131 -8.125 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.861 -5.321 -8.847 1.00 0.00 O ATOM 896 OE2 GLU A 55 -9.224 -7.024 -8.593 1.00 0.00 O ATOM 0 H GLU A 55 -8.377 -5.246 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.947 -6.739 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.224 -6.000 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.901 -7.519 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.112 -6.627 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.535 -4.982 -6.325 1.00 0.00 H new ATOM 903 N VAL A 56 -5.099 -4.448 -3.962 1.00 0.00 N ATOM 904 CA VAL A 56 -4.485 -3.149 -3.820 1.00 0.00 C ATOM 905 C VAL A 56 -3.361 -3.103 -4.787 1.00 0.00 C ATOM 906 O VAL A 56 -2.799 -4.124 -5.130 1.00 0.00 O ATOM 907 CB VAL A 56 -3.910 -2.906 -2.386 1.00 0.00 C ATOM 908 CG1 VAL A 56 -3.998 -4.173 -1.620 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.448 -2.389 -2.419 1.00 0.00 C ATOM 0 H VAL A 56 -4.593 -5.203 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.238 -2.382 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.502 -2.129 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.600 -4.020 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.040 -4.486 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.418 -4.945 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.093 -2.235 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.814 -3.122 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.408 -1.445 -2.963 1.00 0.00 H new ATOM 919 N THR A 57 -3.095 -1.946 -5.262 1.00 0.00 N ATOM 920 CA THR A 57 -1.901 -1.705 -6.035 1.00 0.00 C ATOM 921 C THR A 57 -1.496 -0.259 -5.841 1.00 0.00 C ATOM 922 O THR A 57 -2.126 0.653 -6.360 1.00 0.00 O ATOM 923 CB THR A 57 -2.111 -1.976 -7.541 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.809 -3.214 -7.730 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.779 -2.024 -8.276 1.00 0.00 C ATOM 0 H THR A 57 -3.689 -1.127 -5.135 1.00 0.00 H new ATOM 0 HA THR A 57 -1.125 -2.388 -5.688 1.00 0.00 H new ATOM 0 HB THR A 57 -2.706 -1.159 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.980 -3.351 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.954 -2.216 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.265 -1.070 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.162 -2.821 -7.860 1.00 0.00 H new ATOM 933 N ILE A 58 -0.450 -0.068 -5.096 1.00 0.00 N ATOM 934 CA ILE A 58 -0.070 1.232 -4.611 1.00 0.00 C ATOM 935 C ILE A 58 1.334 1.598 -5.148 1.00 0.00 C ATOM 936 O ILE A 58 2.358 1.277 -4.537 1.00 0.00 O ATOM 937 CB ILE A 58 -0.069 1.144 -3.068 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.499 1.141 -2.525 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.737 2.265 -2.418 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.586 0.867 -1.038 1.00 0.00 C ATOM 0 H ILE A 58 0.175 -0.818 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.759 2.007 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 58 0.416 0.203 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.960 2.106 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.079 0.388 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.704 2.155 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.772 2.213 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.311 3.229 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.630 0.881 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.156 -0.111 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.035 1.634 -0.494 1.00 0.00 H new ATOM 952 N PRO A 59 1.398 2.194 -6.348 1.00 0.00 N ATOM 953 CA PRO A 59 2.638 2.730 -6.925 1.00 0.00 C ATOM 954 C PRO A 59 3.146 3.978 -6.212 1.00 0.00 C ATOM 955 O PRO A 59 2.655 5.082 -6.447 1.00 0.00 O ATOM 956 CB PRO A 59 2.238 3.091 -8.367 1.00 0.00 C ATOM 957 CG PRO A 59 0.983 2.336 -8.612 1.00 0.00 C ATOM 958 CD PRO A 59 0.288 2.310 -7.288 1.00 0.00 C ATOM 0 HA PRO A 59 3.449 2.006 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.082 4.164 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.015 2.807 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.370 2.823 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.191 1.328 -8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.294 3.216 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.401 1.469 -7.208 1.00 0.00 H new ATOM 966 N LEU A 60 4.126 3.803 -5.342 1.00 0.00 N ATOM 967 CA LEU A 60 4.830 4.901 -4.744 1.00 0.00 C ATOM 968 C LEU A 60 6.068 5.175 -5.593 1.00 0.00 C ATOM 969 O LEU A 60 6.261 4.509 -6.612 1.00 0.00 O ATOM 970 CB LEU A 60 5.236 4.501 -3.337 1.00 0.00 C ATOM 971 CG LEU A 60 4.104 4.006 -2.435 1.00 0.00 C ATOM 972 CD1 LEU A 60 4.655 3.551 -1.098 1.00 0.00 C ATOM 973 CD2 LEU A 60 3.061 5.090 -2.231 1.00 0.00 C ATOM 0 H LEU A 60 4.450 2.886 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 60 4.210 5.796 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.990 3.717 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.709 5.358 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 60 3.625 3.158 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.837 3.202 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.365 2.739 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.159 4.385 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.267 4.714 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.526 5.959 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.641 5.377 -3.195 1.00 0.00 H new ATOM 985 N LYS A 61 6.897 6.141 -5.212 1.00 0.00 N ATOM 986 CA LYS A 61 8.139 6.366 -5.929 1.00 0.00 C ATOM 987 C LYS A 61 8.977 5.124 -5.860 1.00 0.00 C ATOM 988 O LYS A 61 9.300 4.492 -6.867 1.00 0.00 O ATOM 989 CB LYS A 61 8.977 7.430 -5.259 1.00 0.00 C ATOM 990 CG LYS A 61 8.236 8.691 -4.854 1.00 0.00 C ATOM 991 CD LYS A 61 9.180 9.692 -4.201 1.00 0.00 C ATOM 992 CE LYS A 61 10.278 10.142 -5.154 1.00 0.00 C ATOM 993 NZ LYS A 61 11.207 11.114 -4.518 1.00 0.00 N ATOM 0 H LYS A 61 6.733 6.769 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 61 7.873 6.654 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.436 6.999 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.787 7.707 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.772 9.142 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.432 8.439 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.613 10.560 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.630 9.243 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.841 9.273 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.828 10.596 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.762 11.596 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.660 11.817 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.849 10.610 -3.874 1.00 0.00 H new ATOM 1007 N ASN A 62 9.297 4.785 -4.624 1.00 0.00 N ATOM 1008 CA ASN A 62 10.313 3.817 -4.351 1.00 0.00 C ATOM 1009 C ASN A 62 9.863 2.415 -4.719 1.00 0.00 C ATOM 1010 O ASN A 62 10.599 1.650 -5.337 1.00 0.00 O ATOM 1011 CB ASN A 62 10.732 3.870 -2.908 1.00 0.00 C ATOM 1012 CG ASN A 62 11.355 5.197 -2.541 1.00 0.00 C ATOM 1013 OD1 ASN A 62 10.751 6.008 -1.838 1.00 0.00 O ATOM 1014 ND2 ASN A 62 12.540 5.450 -3.068 1.00 0.00 N ATOM 0 H ASN A 62 8.855 5.178 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 62 11.173 4.067 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.864 3.690 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.444 3.069 -2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.992 6.348 -2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.003 4.747 -3.644 1.00 0.00 H new ATOM 1021 N VAL A 63 8.643 2.082 -4.325 1.00 0.00 N ATOM 1022 CA VAL A 63 8.094 0.773 -4.580 1.00 0.00 C ATOM 1023 C VAL A 63 6.603 0.843 -4.913 1.00 0.00 C ATOM 1024 O VAL A 63 5.890 1.744 -4.478 1.00 0.00 O ATOM 1025 CB VAL A 63 8.332 -0.132 -3.360 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.574 0.372 -2.141 1.00 0.00 C ATOM 1027 CG2 VAL A 63 7.990 -1.586 -3.656 1.00 0.00 C ATOM 0 H VAL A 63 8.016 2.711 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 63 8.601 0.352 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 63 9.397 -0.090 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.763 -0.290 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.909 1.380 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.506 0.387 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.173 -2.191 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.940 -1.663 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.613 -1.947 -4.475 1.00 0.00 H new ATOM 1037 N THR A 64 6.166 -0.113 -5.703 1.00 0.00 N ATOM 1038 CA THR A 64 4.771 -0.243 -6.078 1.00 0.00 C ATOM 1039 C THR A 64 4.189 -1.503 -5.449 1.00 0.00 C ATOM 1040 O THR A 64 4.461 -2.610 -5.910 1.00 0.00 O ATOM 1041 CB THR A 64 4.623 -0.316 -7.613 1.00 0.00 C ATOM 1042 OG1 THR A 64 5.114 0.894 -8.208 1.00 0.00 O ATOM 1043 CG2 THR A 64 3.174 -0.543 -8.024 1.00 0.00 C ATOM 0 H THR A 64 6.771 -0.828 -6.107 1.00 0.00 H new ATOM 0 HA THR A 64 4.231 0.632 -5.718 1.00 0.00 H new ATOM 0 HB THR A 64 5.210 -1.164 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.019 0.841 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.107 -0.589 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.818 -1.481 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.559 0.279 -7.657 1.00 0.00 H new ATOM 1051 N LEU A 65 3.413 -1.347 -4.383 1.00 0.00 N ATOM 1052 CA LEU A 65 2.841 -2.508 -3.720 1.00 0.00 C ATOM 1053 C LEU A 65 1.571 -2.957 -4.395 1.00 0.00 C ATOM 1054 O LEU A 65 0.983 -2.236 -5.194 1.00 0.00 O ATOM 1055 CB LEU A 65 2.545 -2.274 -2.234 1.00 0.00 C ATOM 1056 CG LEU A 65 3.798 -2.229 -1.332 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.406 -0.830 -1.228 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.475 -2.783 0.039 1.00 0.00 C ATOM 0 H LEU A 65 3.170 -0.448 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 65 3.604 -3.283 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.002 -1.335 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.885 -3.065 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 65 4.555 -2.857 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.283 -0.862 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.699 -0.486 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.670 -0.144 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.366 -2.746 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.685 -2.186 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.141 -3.816 -0.056 1.00 0.00 H new ATOM 1070 N ARG A 66 1.175 -4.162 -4.074 1.00 0.00 N ATOM 1071 CA ARG A 66 -0.095 -4.701 -4.488 1.00 0.00 C ATOM 1072 C ARG A 66 -0.443 -5.866 -3.598 1.00 0.00 C ATOM 1073 O ARG A 66 0.425 -6.615 -3.151 1.00 0.00 O ATOM 1074 CB ARG A 66 -0.061 -5.141 -5.938 1.00 0.00 C ATOM 1075 CG ARG A 66 -1.177 -6.090 -6.359 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.489 -5.953 -7.837 1.00 0.00 C ATOM 1077 NE ARG A 66 -0.312 -6.159 -8.679 1.00 0.00 N ATOM 1078 CZ ARG A 66 -0.271 -5.889 -9.983 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -1.350 -5.432 -10.608 1.00 0.00 N ATOM 1080 NH2 ARG A 66 0.853 -6.076 -10.662 1.00 0.00 N ATOM 0 H ARG A 66 1.732 -4.804 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.854 -3.924 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.103 -4.254 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.897 -5.625 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.885 -7.117 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.074 -5.882 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.259 -6.675 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.899 -4.961 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 66 0.530 -6.533 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.216 -5.286 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.313 -5.227 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.684 -6.426 -10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.886 -5.870 -11.660 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.704 -5.995 -3.343 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.212 -7.111 -2.534 1.00 0.00 C ATOM 1096 C ALA A 67 -3.544 -7.606 -3.053 1.00 0.00 C ATOM 1097 O ALA A 67 -4.546 -6.908 -2.977 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.322 -6.754 -1.054 1.00 0.00 C ATOM 0 H ALA A 67 -2.422 -5.351 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.481 -7.914 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.702 -7.612 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.338 -6.482 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.004 -5.913 -0.932 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.544 -8.815 -3.566 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.742 -9.413 -4.136 1.00 0.00 C ATOM 1106 C GLU A 68 -5.162 -10.622 -3.301 1.00 0.00 C ATOM 1107 O GLU A 68 -4.692 -11.740 -3.518 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.490 -9.810 -5.598 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.188 -10.571 -5.811 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.007 -11.045 -7.235 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -2.163 -10.474 -7.958 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.705 -12.001 -7.638 1.00 0.00 O ATOM 0 H GLU A 68 -2.720 -9.414 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.554 -8.685 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.320 -10.424 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.479 -8.910 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.350 -9.930 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.163 -11.431 -5.142 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.056 -10.392 -2.354 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.388 -11.404 -1.356 1.00 0.00 C ATOM 1121 C GLU A 69 -7.886 -11.418 -1.081 1.00 0.00 C ATOM 1122 O GLU A 69 -8.552 -10.395 -1.217 1.00 0.00 O ATOM 1123 CB GLU A 69 -5.639 -11.107 -0.052 1.00 0.00 C ATOM 1124 CG GLU A 69 -4.762 -12.245 0.444 1.00 0.00 C ATOM 1125 CD GLU A 69 -3.568 -12.505 -0.451 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -3.571 -13.521 -1.177 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -2.610 -11.699 -0.423 1.00 0.00 O ATOM 0 H GLU A 69 -6.567 -9.515 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.091 -12.379 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.018 -10.223 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.366 -10.861 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.412 -12.014 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.360 -13.153 0.515 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.416 -12.566 -0.690 1.00 0.00 N ATOM 1135 CA ARG A 70 -9.811 -12.646 -0.287 1.00 0.00 C ATOM 1136 C ARG A 70 -9.913 -12.782 1.225 1.00 0.00 C ATOM 1137 O ARG A 70 -9.965 -13.888 1.765 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.535 -13.817 -0.958 1.00 0.00 C ATOM 1139 CG ARG A 70 -11.994 -13.924 -0.533 1.00 0.00 C ATOM 1140 CD ARG A 70 -12.671 -15.158 -1.099 1.00 0.00 C ATOM 1141 NE ARG A 70 -14.000 -15.354 -0.520 1.00 0.00 N ATOM 1142 CZ ARG A 70 -14.283 -16.283 0.396 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -13.329 -17.084 0.856 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -15.519 -16.396 0.866 1.00 0.00 N ATOM 0 H ARG A 70 -7.907 -13.448 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.295 -11.724 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.483 -13.699 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.020 -14.746 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.052 -13.948 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.532 -13.035 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.755 -15.064 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.054 -16.035 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.755 -14.745 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.374 -16.991 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.551 -17.792 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.252 -15.773 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.736 -17.106 1.566 1.00 0.00 H new ATOM 1158 N ASN A 71 -9.925 -11.654 1.904 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.100 -11.640 3.346 1.00 0.00 C ATOM 1160 C ASN A 71 -11.544 -11.317 3.687 1.00 0.00 C ATOM 1161 O ASN A 71 -12.295 -10.837 2.837 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.168 -10.615 3.996 1.00 0.00 C ATOM 1163 CG ASN A 71 -7.758 -11.031 4.025 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -7.406 -12.200 3.879 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -6.944 -10.055 4.273 1.00 0.00 N ATOM 0 H ASN A 71 -9.816 -10.732 1.482 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.850 -12.627 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.248 -9.671 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.503 -10.428 5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.944 -10.234 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.303 -9.107 4.383 1.00 0.00 H new ATOM 1172 N ASP A 72 -11.937 -11.594 4.922 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.285 -11.285 5.376 1.00 0.00 C ATOM 1174 C ASP A 72 -13.371 -9.820 5.781 1.00 0.00 C ATOM 1175 O ASP A 72 -14.458 -9.281 5.978 1.00 0.00 O ATOM 1176 CB ASP A 72 -13.711 -12.207 6.530 1.00 0.00 C ATOM 1177 CG ASP A 72 -12.802 -12.128 7.739 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -13.263 -11.675 8.807 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -11.624 -12.530 7.630 1.00 0.00 O ATOM 0 H ASP A 72 -11.343 -12.031 5.626 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.977 -11.461 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.726 -11.951 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.735 -13.236 6.171 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.210 -9.190 5.899 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.102 -7.757 6.085 1.00 0.00 C ATOM 1186 C ASP A 73 -11.228 -7.158 5.036 1.00 0.00 C ATOM 1187 O ASP A 73 -10.031 -7.418 4.932 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.545 -7.414 7.462 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.607 -7.357 8.540 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.393 -6.384 8.555 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -12.658 -8.269 9.386 1.00 0.00 O ATOM 0 H ASP A 73 -11.310 -9.668 5.867 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.107 -7.342 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.796 -8.156 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.037 -6.451 7.411 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.902 -6.393 4.235 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.325 -5.412 3.376 1.00 0.00 C ATOM 1198 C LEU A 74 -10.172 -4.715 4.038 1.00 0.00 C ATOM 1199 O LEU A 74 -9.073 -4.607 3.497 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.414 -4.388 3.178 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.006 -2.993 2.686 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.136 -3.083 1.455 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.240 -2.151 2.404 1.00 0.00 C ATOM 0 H LEU A 74 -12.918 -6.440 4.160 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.963 -5.871 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.132 -4.797 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.937 -4.268 4.127 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.425 -2.513 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.862 -2.080 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.233 -3.648 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.684 -3.587 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.935 -1.164 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.844 -2.636 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.827 -2.048 3.317 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.472 -4.235 5.232 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.586 -3.359 5.902 1.00 0.00 C ATOM 1217 C TYR A 75 -8.382 -4.144 6.373 1.00 0.00 C ATOM 1218 O TYR A 75 -7.318 -3.596 6.613 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.273 -2.633 7.054 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.200 -1.654 6.592 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -12.422 -1.587 7.157 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -10.859 -0.806 5.593 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -13.315 -0.689 6.742 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -11.729 0.108 5.154 1.00 0.00 C ATOM 1225 CZ TYR A 75 -12.985 0.182 5.723 1.00 0.00 C ATOM 1226 OH TYR A 75 -13.900 1.111 5.278 1.00 0.00 O ATOM 0 H TYR A 75 -11.329 -4.450 5.741 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.258 -2.585 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.793 -3.358 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.521 -2.153 7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.680 -2.268 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.877 -0.869 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -14.292 -0.643 7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.452 0.785 4.359 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.442 1.788 4.737 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.575 -5.458 6.448 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.532 -6.381 6.823 1.00 0.00 C ATOM 1238 C ALA A 76 -6.695 -6.692 5.614 1.00 0.00 C ATOM 1239 O ALA A 76 -5.515 -7.004 5.719 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.142 -7.660 7.338 1.00 0.00 C ATOM 0 H ALA A 76 -9.469 -5.906 6.247 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.916 -5.933 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.350 -8.353 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.761 -7.443 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.757 -8.109 6.558 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.336 -6.630 4.456 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.642 -6.841 3.221 1.00 0.00 C ATOM 1248 C GLY A 77 -5.762 -5.658 2.879 1.00 0.00 C ATOM 1249 O GLY A 77 -4.599 -5.809 2.506 1.00 0.00 O ATOM 0 H GLY A 77 -8.333 -6.435 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.033 -7.742 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.362 -7.006 2.420 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.343 -4.475 3.001 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.609 -3.258 2.853 1.00 0.00 C ATOM 1255 C ILE A 78 -4.599 -3.084 4.005 1.00 0.00 C ATOM 1256 O ILE A 78 -3.558 -2.510 3.798 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.561 -2.033 2.744 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -6.840 -1.700 1.274 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -6.003 -0.809 3.461 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -7.481 -2.827 0.493 1.00 0.00 C ATOM 0 H ILE A 78 -7.334 -4.346 3.205 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.047 -3.316 1.921 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.495 -2.306 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.490 -0.826 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.902 -1.426 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.701 0.022 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.864 -1.038 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.045 -0.535 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.644 -2.509 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.824 -3.697 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.436 -3.088 0.948 1.00 0.00 H new ATOM 1272 N ASP A 79 -4.898 -3.577 5.217 1.00 0.00 N ATOM 1273 CA ASP A 79 -3.898 -3.614 6.322 1.00 0.00 C ATOM 1274 C ASP A 79 -2.898 -4.705 6.100 1.00 0.00 C ATOM 1275 O ASP A 79 -1.795 -4.635 6.611 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.559 -3.776 7.691 1.00 0.00 C ATOM 1277 CG ASP A 79 -4.999 -2.449 8.282 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -5.817 -2.460 9.227 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -4.516 -1.388 7.818 1.00 0.00 O ATOM 0 H ASP A 79 -5.812 -3.955 5.466 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.382 -2.654 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.423 -4.434 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.861 -4.261 8.373 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.247 -5.704 5.334 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.241 -6.614 4.870 1.00 0.00 C ATOM 1286 C LEU A 80 -1.274 -5.797 4.039 1.00 0.00 C ATOM 1287 O LEU A 80 -0.094 -5.719 4.355 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.858 -7.764 4.055 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.994 -9.024 3.886 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -2.797 -10.120 3.202 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -0.731 -8.735 3.087 1.00 0.00 C ATOM 0 H LEU A 80 -4.198 -5.904 5.025 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.727 -7.087 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.795 -8.054 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.106 -7.385 3.064 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.695 -9.356 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.176 -11.008 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.670 -10.364 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.121 -9.775 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.146 -9.649 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.003 -8.369 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.139 -7.979 3.603 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.797 -5.135 3.012 1.00 0.00 N ATOM 1304 CA ILE A 81 -0.953 -4.324 2.157 1.00 0.00 C ATOM 1305 C ILE A 81 -0.362 -3.093 2.850 1.00 0.00 C ATOM 1306 O ILE A 81 0.742 -2.711 2.528 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.675 -3.884 0.877 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.653 -3.799 -0.266 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.366 -2.536 1.068 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.456 -4.835 -0.208 1.00 0.00 C ATOM 0 H ILE A 81 -2.785 -5.146 2.758 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.125 -4.984 1.899 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.444 -4.617 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.180 -3.904 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.204 -2.806 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.869 -2.251 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.099 -2.613 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.624 -1.780 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.128 -4.696 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.014 -4.719 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.023 -5.834 -0.248 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.076 -2.487 3.785 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.634 -1.258 4.460 1.00 0.00 C ATOM 1324 C ASN A 82 0.466 -1.583 5.441 1.00 0.00 C ATOM 1325 O ASN A 82 1.469 -0.882 5.544 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.822 -0.624 5.211 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.533 0.697 5.935 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -2.428 1.523 6.084 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -0.317 0.909 6.410 1.00 0.00 N ATOM 0 H ASN A 82 -1.983 -2.828 4.105 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.258 -0.556 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.629 -0.455 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.189 -1.344 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.109 1.772 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.412 0.209 6.275 1.00 0.00 H new ATOM 1336 N ASN A 83 0.264 -2.643 6.167 1.00 0.00 N ATOM 1337 CA ASN A 83 1.175 -3.014 7.213 1.00 0.00 C ATOM 1338 C ASN A 83 2.412 -3.666 6.588 1.00 0.00 C ATOM 1339 O ASN A 83 3.546 -3.461 7.026 1.00 0.00 O ATOM 1340 CB ASN A 83 0.397 -3.924 8.159 1.00 0.00 C ATOM 1341 CG ASN A 83 0.942 -5.337 8.244 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.841 -5.621 9.037 1.00 0.00 O ATOM 1343 ND2 ASN A 83 0.388 -6.235 7.445 1.00 0.00 N ATOM 0 H ASN A 83 -0.531 -3.272 6.053 1.00 0.00 H new ATOM 0 HA ASN A 83 1.549 -2.166 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.402 -3.483 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.642 -3.966 7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.703 -7.205 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.354 -5.957 6.803 1.00 0.00 H new ATOM 1350 N LYS A 84 2.157 -4.429 5.529 1.00 0.00 N ATOM 1351 CA LYS A 84 3.224 -4.946 4.688 1.00 0.00 C ATOM 1352 C LYS A 84 3.863 -3.791 3.921 1.00 0.00 C ATOM 1353 O LYS A 84 5.018 -3.859 3.545 1.00 0.00 O ATOM 1354 CB LYS A 84 2.681 -5.996 3.714 1.00 0.00 C ATOM 1355 CG LYS A 84 3.747 -6.745 2.934 1.00 0.00 C ATOM 1356 CD LYS A 84 3.116 -7.718 1.949 1.00 0.00 C ATOM 1357 CE LYS A 84 4.163 -8.556 1.231 1.00 0.00 C ATOM 1358 NZ LYS A 84 4.859 -9.490 2.153 1.00 0.00 N ATOM 0 H LYS A 84 1.219 -4.701 5.235 1.00 0.00 H new ATOM 0 HA LYS A 84 3.976 -5.425 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.084 -6.717 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.010 -5.506 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.377 -6.035 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.394 -7.287 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.426 -8.375 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.529 -7.164 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.687 -9.124 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.894 -7.898 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.411 -10.176 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.497 -8.953 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.157 -9.995 2.730 1.00 0.00 H new ATOM 1372 N LEU A 85 3.086 -2.734 3.700 1.00 0.00 N ATOM 1373 CA LEU A 85 3.572 -1.515 3.065 1.00 0.00 C ATOM 1374 C LEU A 85 4.596 -0.893 3.957 1.00 0.00 C ATOM 1375 O LEU A 85 5.716 -0.692 3.547 1.00 0.00 O ATOM 1376 CB LEU A 85 2.423 -0.526 2.786 1.00 0.00 C ATOM 1377 CG LEU A 85 2.799 0.799 2.115 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.662 1.275 1.226 1.00 0.00 C ATOM 1379 CD2 LEU A 85 3.115 1.865 3.157 1.00 0.00 C ATOM 0 H LEU A 85 2.100 -2.700 3.957 1.00 0.00 H new ATOM 0 HA LEU A 85 4.017 -1.766 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.688 -1.028 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.932 -0.300 3.733 1.00 0.00 H new ATOM 0 HG LEU A 85 3.688 0.632 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.939 2.217 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.464 0.528 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.766 1.421 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.379 2.796 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.241 2.027 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.951 1.535 3.773 1.00 0.00 H new ATOM 1391 N GLU A 86 4.212 -0.622 5.188 1.00 0.00 N ATOM 1392 CA GLU A 86 5.143 -0.102 6.161 1.00 0.00 C ATOM 1393 C GLU A 86 6.392 -0.977 6.162 1.00 0.00 C ATOM 1394 O GLU A 86 7.508 -0.482 5.992 1.00 0.00 O ATOM 1395 CB GLU A 86 4.494 -0.067 7.543 1.00 0.00 C ATOM 1396 CG GLU A 86 5.243 0.786 8.550 1.00 0.00 C ATOM 1397 CD GLU A 86 4.497 0.922 9.859 1.00 0.00 C ATOM 1398 OE1 GLU A 86 3.558 1.741 9.925 1.00 0.00 O ATOM 1399 OE2 GLU A 86 4.845 0.213 10.826 1.00 0.00 O ATOM 0 H GLU A 86 3.262 -0.754 5.535 1.00 0.00 H new ATOM 0 HA GLU A 86 5.424 0.919 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.476 0.311 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.421 -1.085 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.223 0.346 8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.414 1.776 8.128 1.00 0.00 H new ATOM 1406 N ARG A 87 6.180 -2.294 6.277 1.00 0.00 N ATOM 1407 CA ARG A 87 7.297 -3.240 6.278 1.00 0.00 C ATOM 1408 C ARG A 87 8.142 -3.168 4.996 1.00 0.00 C ATOM 1409 O ARG A 87 9.374 -3.162 5.055 1.00 0.00 O ATOM 1410 CB ARG A 87 6.799 -4.646 6.483 1.00 0.00 C ATOM 1411 CG ARG A 87 7.890 -5.705 6.427 1.00 0.00 C ATOM 1412 CD ARG A 87 7.350 -7.090 6.736 1.00 0.00 C ATOM 1413 NE ARG A 87 8.377 -8.122 6.578 1.00 0.00 N ATOM 1414 CZ ARG A 87 8.257 -9.372 7.020 1.00 0.00 C ATOM 1415 NH1 ARG A 87 7.149 -9.763 7.636 1.00 0.00 N ATOM 1416 NH2 ARG A 87 9.248 -10.235 6.836 1.00 0.00 N ATOM 0 H ARG A 87 5.259 -2.722 6.369 1.00 0.00 H new ATOM 0 HA ARG A 87 7.943 -2.954 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.299 -4.706 7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.051 -4.870 5.723 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.345 -5.705 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.676 -5.454 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.967 -7.112 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.511 -7.308 6.076 1.00 0.00 H new ATOM 0 HE ARG A 87 9.240 -7.867 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.382 -9.104 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.064 -10.722 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.099 -9.940 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.159 -11.193 7.174 1.00 0.00 H new ATOM 1430 N GLN A 88 7.482 -3.040 3.851 1.00 0.00 N ATOM 1431 CA GLN A 88 8.135 -3.207 2.556 1.00 0.00 C ATOM 1432 C GLN A 88 8.707 -1.898 2.110 1.00 0.00 C ATOM 1433 O GLN A 88 9.866 -1.786 1.724 1.00 0.00 O ATOM 1434 CB GLN A 88 7.135 -3.671 1.514 1.00 0.00 C ATOM 1435 CG GLN A 88 7.118 -5.175 1.281 1.00 0.00 C ATOM 1436 CD GLN A 88 8.448 -5.718 0.793 1.00 0.00 C ATOM 1437 OE1 GLN A 88 9.209 -5.031 0.109 1.00 0.00 O ATOM 1438 NE2 GLN A 88 8.736 -6.961 1.142 1.00 0.00 N ATOM 0 H GLN A 88 6.488 -2.820 3.792 1.00 0.00 H new ATOM 0 HA GLN A 88 8.924 -3.951 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.138 -3.352 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.355 -3.172 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.846 -5.677 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.345 -5.415 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.079 -7.497 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.615 -7.384 0.844 1.00 0.00 H new ATOM 1447 N VAL A 89 7.843 -0.924 2.156 1.00 0.00 N ATOM 1448 CA VAL A 89 8.190 0.447 1.920 1.00 0.00 C ATOM 1449 C VAL A 89 9.417 0.837 2.724 1.00 0.00 C ATOM 1450 O VAL A 89 10.382 1.372 2.181 1.00 0.00 O ATOM 1451 CB VAL A 89 7.011 1.361 2.282 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.463 2.781 2.602 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.011 1.375 1.145 1.00 0.00 C ATOM 0 H VAL A 89 6.854 -1.066 2.364 1.00 0.00 H new ATOM 0 HA VAL A 89 8.420 0.565 0.861 1.00 0.00 H new ATOM 0 HB VAL A 89 6.543 0.961 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.595 3.391 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.150 2.762 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.968 3.206 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.175 2.024 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.493 1.747 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.644 0.363 0.970 1.00 0.00 H new ATOM 1463 N ARG A 90 9.386 0.531 4.012 1.00 0.00 N ATOM 1464 CA ARG A 90 10.533 0.820 4.876 1.00 0.00 C ATOM 1465 C ARG A 90 11.720 -0.051 4.521 1.00 0.00 C ATOM 1466 O ARG A 90 12.835 0.447 4.450 1.00 0.00 O ATOM 1467 CB ARG A 90 10.234 0.645 6.359 1.00 0.00 C ATOM 1468 CG ARG A 90 9.440 1.787 6.971 1.00 0.00 C ATOM 1469 CD ARG A 90 9.172 1.540 8.446 1.00 0.00 C ATOM 1470 NE ARG A 90 8.499 2.671 9.081 1.00 0.00 N ATOM 1471 CZ ARG A 90 7.898 2.609 10.268 1.00 0.00 C ATOM 1472 NH1 ARG A 90 7.864 1.467 10.942 1.00 0.00 N ATOM 1473 NH2 ARG A 90 7.334 3.693 10.782 1.00 0.00 N ATOM 0 H ARG A 90 8.595 0.090 4.482 1.00 0.00 H new ATOM 0 HA ARG A 90 10.765 1.870 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.681 -0.284 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.175 0.541 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.989 2.721 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.495 1.901 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.559 0.645 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.115 1.346 8.958 1.00 0.00 H new ATOM 0 HE ARG A 90 8.489 3.562 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.299 0.631 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.403 1.425 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.360 4.574 10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.874 3.646 11.691 1.00 0.00 H new ATOM 1487 N LYS A 91 11.487 -1.346 4.296 1.00 0.00 N ATOM 1488 CA LYS A 91 12.570 -2.257 3.944 1.00 0.00 C ATOM 1489 C LYS A 91 13.315 -1.689 2.750 1.00 0.00 C ATOM 1490 O LYS A 91 14.543 -1.671 2.708 1.00 0.00 O ATOM 1491 CB LYS A 91 12.005 -3.665 3.642 1.00 0.00 C ATOM 1492 CG LYS A 91 11.867 -4.035 2.165 1.00 0.00 C ATOM 1493 CD LYS A 91 13.161 -4.565 1.567 1.00 0.00 C ATOM 1494 CE LYS A 91 13.016 -4.805 0.072 1.00 0.00 C ATOM 1495 NZ LYS A 91 11.919 -5.759 -0.235 1.00 0.00 N ATOM 0 H LYS A 91 10.566 -1.781 4.351 1.00 0.00 H new ATOM 0 HA LYS A 91 13.265 -2.357 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.649 -4.402 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.024 -3.748 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.086 -4.788 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.545 -3.158 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.967 -3.854 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.440 -5.495 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.823 -3.857 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.954 -5.191 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.961 -6.025 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.024 -6.610 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.002 -5.310 -0.034 1.00 0.00 H new ATOM 1509 N TYR A 92 12.538 -1.159 1.828 1.00 0.00 N ATOM 1510 CA TYR A 92 13.042 -0.696 0.559 1.00 0.00 C ATOM 1511 C TYR A 92 13.675 0.684 0.686 1.00 0.00 C ATOM 1512 O TYR A 92 14.827 0.878 0.301 1.00 0.00 O ATOM 1513 CB TYR A 92 11.894 -0.673 -0.444 1.00 0.00 C ATOM 1514 CG TYR A 92 12.350 -0.607 -1.883 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.742 0.597 -2.451 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.395 -1.750 -2.671 1.00 0.00 C ATOM 1517 CE1 TYR A 92 13.167 0.663 -3.760 1.00 0.00 C ATOM 1518 CE2 TYR A 92 12.817 -1.692 -3.985 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.202 -0.482 -4.524 1.00 0.00 C ATOM 1520 OH TYR A 92 13.630 -0.417 -5.832 1.00 0.00 O ATOM 0 H TYR A 92 11.532 -1.038 1.943 1.00 0.00 H new ATOM 0 HA TYR A 92 13.821 -1.376 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.284 -1.565 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.256 0.185 -0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.713 1.498 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.096 -2.698 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.471 1.608 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.845 -2.588 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 92 13.596 -1.311 -6.232 1.00 0.00 H new ATOM 1530 N LYS A 93 12.926 1.638 1.239 1.00 0.00 N ATOM 1531 CA LYS A 93 13.416 3.004 1.358 1.00 0.00 C ATOM 1532 C LYS A 93 14.609 3.045 2.302 1.00 0.00 C ATOM 1533 O LYS A 93 15.564 3.777 2.069 1.00 0.00 O ATOM 1534 CB LYS A 93 12.296 3.966 1.814 1.00 0.00 C ATOM 1535 CG LYS A 93 12.065 4.051 3.324 1.00 0.00 C ATOM 1536 CD LYS A 93 12.974 5.090 3.973 1.00 0.00 C ATOM 1537 CE LYS A 93 12.669 5.272 5.452 1.00 0.00 C ATOM 1538 NZ LYS A 93 11.342 5.900 5.672 1.00 0.00 N ATOM 0 H LYS A 93 11.987 1.489 1.607 1.00 0.00 H new ATOM 0 HA LYS A 93 13.743 3.344 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.528 4.965 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.364 3.659 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.023 4.305 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.246 3.076 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.014 4.787 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.858 6.044 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.699 4.303 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.443 5.889 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.257 6.192 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.246 6.733 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.592 5.215 5.446 1.00 0.00 H new ATOM 1552 N THR A 94 14.558 2.239 3.355 1.00 0.00 N ATOM 1553 CA THR A 94 15.650 2.168 4.303 1.00 0.00 C ATOM 1554 C THR A 94 16.847 1.437 3.689 1.00 0.00 C ATOM 1555 O THR A 94 17.986 1.876 3.853 1.00 0.00 O ATOM 1556 CB THR A 94 15.202 1.519 5.638 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.305 2.406 6.323 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.391 1.207 6.537 1.00 0.00 C ATOM 0 H THR A 94 13.770 1.628 3.569 1.00 0.00 H new ATOM 0 HA THR A 94 15.964 3.185 4.537 1.00 0.00 H new ATOM 0 HB THR A 94 14.700 0.580 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.020 1.996 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.038 0.753 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.061 0.515 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.926 2.129 6.766 1.00 0.00 H new ATOM 1566 N ARG A 95 16.592 0.349 2.952 1.00 0.00 N ATOM 1567 CA ARG A 95 17.660 -0.330 2.217 1.00 0.00 C ATOM 1568 C ARG A 95 18.374 0.638 1.279 1.00 0.00 C ATOM 1569 O ARG A 95 19.592 0.804 1.359 1.00 0.00 O ATOM 1570 CB ARG A 95 17.110 -1.507 1.406 1.00 0.00 C ATOM 1571 CG ARG A 95 18.121 -2.116 0.445 1.00 0.00 C ATOM 1572 CD ARG A 95 17.516 -3.257 -0.357 1.00 0.00 C ATOM 1573 NE ARG A 95 17.163 -4.396 0.488 1.00 0.00 N ATOM 1574 CZ ARG A 95 16.607 -5.519 0.038 1.00 0.00 C ATOM 1575 NH1 ARG A 95 16.288 -5.640 -1.245 1.00 0.00 N ATOM 1576 NH2 ARG A 95 16.358 -6.514 0.877 1.00 0.00 N ATOM 0 H ARG A 95 15.669 -0.073 2.851 1.00 0.00 H new ATOM 0 HA ARG A 95 18.371 -0.708 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.764 -2.280 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.241 -1.172 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.486 -1.346 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.982 -2.481 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.626 -2.902 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 95 18.224 -3.578 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 95 17.355 -4.326 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.469 -4.871 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.862 -6.502 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.592 -6.419 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.932 -7.375 0.535 1.00 0.00 H new ATOM 1590 N ILE A 96 17.612 1.288 0.404 1.00 0.00 N ATOM 1591 CA ILE A 96 18.205 2.156 -0.604 1.00 0.00 C ATOM 1592 C ILE A 96 18.822 3.405 0.032 1.00 0.00 C ATOM 1593 O ILE A 96 19.844 3.898 -0.435 1.00 0.00 O ATOM 1594 CB ILE A 96 17.186 2.555 -1.705 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.898 3.224 -2.882 1.00 0.00 C ATOM 1596 CG2 ILE A 96 16.106 3.474 -1.155 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.867 2.311 -3.605 1.00 0.00 C ATOM 0 H ILE A 96 16.594 1.231 0.373 1.00 0.00 H new ATOM 0 HA ILE A 96 18.999 1.583 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 96 16.706 1.641 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.152 3.582 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.438 4.099 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.409 3.734 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.569 2.966 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.565 4.382 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.334 2.854 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.636 1.973 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.329 1.448 -3.999 1.00 0.00 H new ATOM 1609 N ASN A 97 18.221 3.895 1.113 1.00 0.00 N ATOM 1610 CA ASN A 97 18.753 5.060 1.819 1.00 0.00 C ATOM 1611 C ASN A 97 20.102 4.723 2.440 1.00 0.00 C ATOM 1612 O ASN A 97 21.066 5.482 2.313 1.00 0.00 O ATOM 1613 CB ASN A 97 17.784 5.522 2.913 1.00 0.00 C ATOM 1614 CG ASN A 97 18.195 6.834 3.559 1.00 0.00 C ATOM 1615 OD1 ASN A 97 18.017 7.027 4.762 1.00 0.00 O ATOM 1616 ND2 ASN A 97 18.716 7.758 2.769 1.00 0.00 N ATOM 0 H ASN A 97 17.369 3.507 1.519 1.00 0.00 H new ATOM 0 HA ASN A 97 18.877 5.868 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.788 5.631 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.718 4.751 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.984 8.664 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.850 7.564 1.777 1.00 0.00 H new ATOM 1623 N ARG A 98 20.167 3.564 3.090 1.00 0.00 N ATOM 1624 CA ARG A 98 21.399 3.097 3.714 1.00 0.00 C ATOM 1625 C ARG A 98 22.473 2.815 2.670 1.00 0.00 C ATOM 1626 O ARG A 98 23.660 2.905 2.954 1.00 0.00 O ATOM 1627 CB ARG A 98 21.140 1.832 4.536 1.00 0.00 C ATOM 1628 CG ARG A 98 20.357 2.065 5.823 1.00 0.00 C ATOM 1629 CD ARG A 98 21.235 2.616 6.938 1.00 0.00 C ATOM 1630 NE ARG A 98 21.681 3.987 6.688 1.00 0.00 N ATOM 1631 CZ ARG A 98 22.960 4.363 6.650 1.00 0.00 C ATOM 1632 NH1 ARG A 98 23.923 3.458 6.741 1.00 0.00 N ATOM 1633 NH2 ARG A 98 23.268 5.646 6.508 1.00 0.00 N ATOM 0 H ARG A 98 19.376 2.929 3.198 1.00 0.00 H new ATOM 0 HA ARG A 98 21.754 3.889 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.596 1.118 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.097 1.374 4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 98 19.540 2.760 5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.907 1.127 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.683 2.585 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.106 1.972 7.059 1.00 0.00 H new ATOM 0 HE ARG A 98 20.969 4.700 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 98 23.687 2.471 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 98 24.900 3.749 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.527 6.343 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.246 5.936 6.479 1.00 0.00 H new