USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 44 ASN : amide:sc= -7.68! C(o=-9.7!,f=-18!) USER MOD Set 1.2: A 45 ASN : amide:sc= -2.02! X(o=-9.7!,f=-9.6) USER MOD Set 2.1: A 3 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.357) USER MOD Set 2.2: A 35 ASN : amide:sc= -2.76! C(o=-9.2!,f=-11!) USER MOD Set 2.3: A 38 GLN : amide:sc= -6.44! C(o=-9.2!,f=-20!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= -0.454 (180deg=-3.15!) USER MOD Single : A 13 GLN : amide:sc= -0.701 K(o=-0.7,f=-0.015) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= -0.13 (180deg=-1.18) USER MOD Single : A 28 SER OG : rot 86:sc= 0.507 USER MOD Single : A 29 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.73) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -130:sc= -1.1! USER MOD Single : A 39 CYS SG : rot 180:sc= -3.73! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.34 K(o=-3.3,f=-1.7) USER MOD Single : A 53 THR OG1 : rot -27:sc= 0.511 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 156:sc= -0.15 (180deg=-1.22) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= -0.597 (180deg=-2.39!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -0.0123 (180deg=-0.307) USER MOD Single : A 76 ASN : amide:sc= 0.242 K(o=0.24,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -0.0155 (180deg=-0.407) USER MOD Single : A 79 SER OG : rot 108:sc= -1.08! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00198) USER MOD Single : A 84 ASN : amide:sc= -3.51! K(o=-3.5!,f=-1.9) USER MOD Single : A 86 SER OG : rot 62:sc= 0.67 USER MOD Single : A 88 ASN : amide:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 89 ASN : amide:sc= -3.82! C(o=-3.8!,f=-3.5!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.905 8.775 -0.054 1.00 0.00 N ATOM 42 CA LYS A 3 -7.951 9.710 0.452 1.00 0.00 C ATOM 43 C LYS A 3 -8.481 9.208 1.799 1.00 0.00 C ATOM 44 O LYS A 3 -8.551 9.947 2.761 1.00 0.00 O ATOM 45 CB LYS A 3 -9.105 9.791 -0.557 1.00 0.00 C ATOM 46 CG LYS A 3 -8.557 9.973 -1.980 1.00 0.00 C ATOM 47 CD LYS A 3 -7.583 11.161 -2.028 1.00 0.00 C ATOM 48 CE LYS A 3 -7.350 11.579 -3.483 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.890 10.401 -4.272 1.00 0.00 N ATOM 0 HA LYS A 3 -7.515 10.701 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.707 8.884 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.761 10.624 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.048 9.064 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.380 10.140 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.987 11.998 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.636 10.887 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.270 11.979 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.606 12.374 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.447 10.726 -5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.198 9.860 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.704 9.794 -4.497 1.00 0.00 H new ATOM 63 N PHE A 4 -8.853 7.956 1.881 1.00 0.00 N ATOM 64 CA PHE A 4 -9.374 7.414 3.172 1.00 0.00 C ATOM 65 C PHE A 4 -8.206 7.054 4.093 1.00 0.00 C ATOM 66 O PHE A 4 -7.080 6.897 3.662 1.00 0.00 O ATOM 67 CB PHE A 4 -10.250 6.182 2.934 1.00 0.00 C ATOM 68 CG PHE A 4 -9.581 5.218 1.980 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.635 4.297 2.451 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.923 5.235 0.625 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.035 3.397 1.561 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.326 4.335 -0.264 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.383 3.416 0.203 1.00 0.00 C ATOM 0 H PHE A 4 -8.819 7.287 1.112 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.986 8.182 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.447 5.683 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.214 6.490 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.369 4.281 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.651 5.946 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.304 2.688 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.594 4.351 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.922 2.720 -0.482 1.00 0.00 H new ATOM 83 N THR A 5 -8.474 6.940 5.367 1.00 0.00 N ATOM 84 CA THR A 5 -7.400 6.611 6.354 1.00 0.00 C ATOM 85 C THR A 5 -7.300 5.103 6.544 1.00 0.00 C ATOM 86 O THR A 5 -8.204 4.351 6.228 1.00 0.00 O ATOM 87 CB THR A 5 -7.704 7.259 7.702 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.793 6.766 8.674 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.130 6.923 8.122 1.00 0.00 C ATOM 0 H THR A 5 -9.402 7.062 5.772 1.00 0.00 H new ATOM 0 HA THR A 5 -6.455 6.994 5.968 1.00 0.00 H new ATOM 0 HB THR A 5 -7.600 8.341 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.984 7.181 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.345 7.387 9.085 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.828 7.300 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.239 5.842 8.208 1.00 0.00 H new ATOM 97 N GLU A 6 -6.195 4.665 7.061 1.00 0.00 N ATOM 98 CA GLU A 6 -5.990 3.207 7.293 1.00 0.00 C ATOM 99 C GLU A 6 -7.222 2.611 7.982 1.00 0.00 C ATOM 100 O GLU A 6 -7.665 1.536 7.646 1.00 0.00 O ATOM 101 CB GLU A 6 -4.754 2.998 8.175 1.00 0.00 C ATOM 102 CG GLU A 6 -4.937 3.730 9.509 1.00 0.00 C ATOM 103 CD GLU A 6 -3.601 3.779 10.255 1.00 0.00 C ATOM 104 OE1 GLU A 6 -3.063 2.721 10.537 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.140 4.874 10.531 1.00 0.00 O ATOM 0 H GLU A 6 -5.413 5.258 7.338 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.841 2.708 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.598 1.934 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.865 3.370 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.304 4.741 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.685 3.220 10.116 1.00 0.00 H new ATOM 112 N GLU A 7 -7.788 3.306 8.938 1.00 0.00 N ATOM 113 CA GLU A 7 -8.992 2.775 9.639 1.00 0.00 C ATOM 114 C GLU A 7 -10.020 2.306 8.599 1.00 0.00 C ATOM 115 O GLU A 7 -10.689 1.301 8.767 1.00 0.00 O ATOM 116 CB GLU A 7 -9.598 3.886 10.509 1.00 0.00 C ATOM 117 CG GLU A 7 -10.549 3.275 11.536 1.00 0.00 C ATOM 118 CD GLU A 7 -11.335 4.385 12.236 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.771 5.449 12.434 1.00 0.00 O ATOM 120 OE2 GLU A 7 -12.488 4.154 12.561 1.00 0.00 O ATOM 0 H GLU A 7 -7.466 4.218 9.261 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.713 1.932 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.806 4.437 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.133 4.600 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.235 2.585 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.986 2.697 12.269 1.00 0.00 H new ATOM 127 N GLU A 8 -10.131 3.016 7.513 1.00 0.00 N ATOM 128 CA GLU A 8 -11.090 2.608 6.461 1.00 0.00 C ATOM 129 C GLU A 8 -10.601 1.300 5.848 1.00 0.00 C ATOM 130 O GLU A 8 -11.347 0.354 5.700 1.00 0.00 O ATOM 131 CB GLU A 8 -11.129 3.693 5.392 1.00 0.00 C ATOM 132 CG GLU A 8 -12.340 3.502 4.481 1.00 0.00 C ATOM 133 CD GLU A 8 -13.622 3.831 5.249 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.963 5.001 5.318 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.239 2.909 5.756 1.00 0.00 O ATOM 0 H GLU A 8 -9.597 3.861 7.312 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.088 2.470 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.172 4.675 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.214 3.663 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.254 4.146 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.376 2.475 4.118 1.00 0.00 H new ATOM 142 N ASP A 9 -9.337 1.246 5.496 1.00 0.00 N ATOM 143 CA ASP A 9 -8.777 -0.004 4.887 1.00 0.00 C ATOM 144 C ASP A 9 -9.238 -1.215 5.701 1.00 0.00 C ATOM 145 O ASP A 9 -9.348 -2.314 5.196 1.00 0.00 O ATOM 146 CB ASP A 9 -7.245 0.056 4.885 1.00 0.00 C ATOM 147 CG ASP A 9 -6.689 -1.245 4.305 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.091 -1.603 3.211 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.873 -1.864 4.969 1.00 0.00 O ATOM 0 H ASP A 9 -8.671 2.011 5.604 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.132 -0.093 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.904 0.906 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.874 0.203 5.899 1.00 0.00 H new ATOM 154 N LEU A 10 -9.537 -1.011 6.954 1.00 0.00 N ATOM 155 CA LEU A 10 -10.027 -2.140 7.793 1.00 0.00 C ATOM 156 C LEU A 10 -11.488 -2.388 7.416 1.00 0.00 C ATOM 157 O LEU A 10 -11.926 -3.515 7.256 1.00 0.00 O ATOM 158 CB LEU A 10 -9.909 -1.774 9.284 1.00 0.00 C ATOM 159 CG LEU A 10 -8.641 -0.949 9.513 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.476 -0.666 11.005 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.416 -1.713 8.993 1.00 0.00 C ATOM 0 H LEU A 10 -9.463 -0.113 7.432 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.434 -3.039 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.785 -1.208 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.880 -2.680 9.890 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.727 -0.006 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.572 -0.078 11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.340 -0.109 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.398 -1.608 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.518 -1.118 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.327 -2.661 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.532 -1.903 7.926 1.00 0.00 H new ATOM 173 N LYS A 11 -12.242 -1.333 7.238 1.00 0.00 N ATOM 174 CA LYS A 11 -13.664 -1.512 6.836 1.00 0.00 C ATOM 175 C LYS A 11 -13.666 -2.251 5.497 1.00 0.00 C ATOM 176 O LYS A 11 -14.472 -3.124 5.258 1.00 0.00 O ATOM 177 CB LYS A 11 -14.349 -0.135 6.691 1.00 0.00 C ATOM 178 CG LYS A 11 -14.917 0.324 8.039 1.00 0.00 C ATOM 179 CD LYS A 11 -13.779 0.513 9.044 1.00 0.00 C ATOM 180 CE LYS A 11 -14.341 1.077 10.351 1.00 0.00 C ATOM 181 NZ LYS A 11 -13.256 1.140 11.371 1.00 0.00 N ATOM 0 H LYS A 11 -11.936 -0.367 7.353 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.213 -2.080 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.631 0.598 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.149 -0.196 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.463 1.259 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.627 -0.413 8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.282 -0.439 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.028 1.190 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.755 2.071 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.156 0.449 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.515 0.553 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.370 0.786 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.126 2.125 11.679 1.00 0.00 H new ATOM 195 N LEU A 12 -12.748 -1.914 4.632 1.00 0.00 N ATOM 196 CA LEU A 12 -12.673 -2.601 3.317 1.00 0.00 C ATOM 197 C LEU A 12 -12.573 -4.107 3.564 1.00 0.00 C ATOM 198 O LEU A 12 -13.253 -4.890 2.952 1.00 0.00 O ATOM 199 CB LEU A 12 -11.425 -2.114 2.553 1.00 0.00 C ATOM 200 CG LEU A 12 -11.750 -0.865 1.725 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.160 0.280 2.651 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.506 -0.458 0.930 1.00 0.00 C ATOM 0 H LEU A 12 -12.046 -1.190 4.783 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.560 -2.379 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.625 -1.891 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.061 -2.906 1.898 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.572 -1.083 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.390 1.164 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.041 -0.012 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.342 0.505 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.727 0.430 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.689 -0.241 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.215 -1.273 0.267 1.00 0.00 H new ATOM 214 N GLN A 13 -11.735 -4.526 4.466 1.00 0.00 N ATOM 215 CA GLN A 13 -11.619 -5.990 4.719 1.00 0.00 C ATOM 216 C GLN A 13 -13.013 -6.563 4.997 1.00 0.00 C ATOM 217 O GLN A 13 -13.335 -7.660 4.592 1.00 0.00 O ATOM 218 CB GLN A 13 -10.723 -6.223 5.938 1.00 0.00 C ATOM 219 CG GLN A 13 -10.425 -7.718 6.081 1.00 0.00 C ATOM 220 CD GLN A 13 -9.615 -7.956 7.356 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.695 -8.749 7.367 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.921 -7.295 8.440 1.00 0.00 N ATOM 0 H GLN A 13 -11.132 -3.930 5.033 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.186 -6.482 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.793 -5.666 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.213 -5.852 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.356 -8.284 6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.870 -8.074 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.694 -6.629 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.387 -7.445 9.296 1.00 0.00 H new ATOM 231 N GLN A 14 -13.846 -5.825 5.677 1.00 0.00 N ATOM 232 CA GLN A 14 -15.222 -6.336 5.976 1.00 0.00 C ATOM 233 C GLN A 14 -16.156 -6.157 4.771 1.00 0.00 C ATOM 234 O GLN A 14 -16.773 -7.095 4.309 1.00 0.00 O ATOM 235 CB GLN A 14 -15.804 -5.564 7.150 1.00 0.00 C ATOM 236 CG GLN A 14 -14.839 -5.623 8.336 1.00 0.00 C ATOM 237 CD GLN A 14 -15.448 -4.884 9.528 1.00 0.00 C ATOM 238 OE1 GLN A 14 -16.458 -4.220 9.395 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.876 -4.971 10.697 1.00 0.00 N ATOM 0 H GLN A 14 -13.639 -4.894 6.039 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.142 -7.398 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.981 -4.527 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.769 -5.986 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.637 -6.660 8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.885 -5.172 8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.029 -5.528 10.810 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.276 -4.482 11.498 1.00 0.00 H new ATOM 248 N LEU A 15 -16.286 -4.960 4.272 1.00 0.00 N ATOM 249 CA LEU A 15 -17.200 -4.734 3.115 1.00 0.00 C ATOM 250 C LEU A 15 -16.716 -5.573 1.933 1.00 0.00 C ATOM 251 O LEU A 15 -17.455 -6.350 1.361 1.00 0.00 O ATOM 252 CB LEU A 15 -17.193 -3.237 2.744 1.00 0.00 C ATOM 253 CG LEU A 15 -18.173 -2.464 3.637 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.819 -2.685 5.109 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.085 -0.971 3.311 1.00 0.00 C ATOM 0 H LEU A 15 -15.801 -4.130 4.613 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.217 -5.028 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.188 -2.831 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.469 -3.113 1.697 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.186 -2.822 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.518 -2.134 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.881 -3.748 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.805 -2.331 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.780 -0.419 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.070 -0.618 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.342 -0.811 2.264 1.00 0.00 H new ATOM 267 N VAL A 16 -15.477 -5.424 1.572 1.00 0.00 N ATOM 268 CA VAL A 16 -14.930 -6.206 0.436 1.00 0.00 C ATOM 269 C VAL A 16 -15.135 -7.693 0.714 1.00 0.00 C ATOM 270 O VAL A 16 -15.337 -8.476 -0.192 1.00 0.00 O ATOM 271 CB VAL A 16 -13.436 -5.903 0.271 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.916 -6.581 -0.997 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.227 -4.385 0.153 1.00 0.00 C ATOM 0 H VAL A 16 -14.815 -4.789 2.018 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.446 -5.933 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.895 -6.280 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.854 -6.366 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.062 -7.658 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.461 -6.202 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.164 -4.172 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.770 -4.009 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.598 -3.896 1.054 1.00 0.00 H new ATOM 283 N MET A 17 -15.109 -8.098 1.960 1.00 0.00 N ATOM 284 CA MET A 17 -15.330 -9.533 2.257 1.00 0.00 C ATOM 285 C MET A 17 -16.797 -9.860 1.953 1.00 0.00 C ATOM 286 O MET A 17 -17.130 -10.962 1.561 1.00 0.00 O ATOM 287 CB MET A 17 -14.997 -9.804 3.734 1.00 0.00 C ATOM 288 CG MET A 17 -15.570 -11.153 4.174 1.00 0.00 C ATOM 289 SD MET A 17 -14.812 -11.650 5.741 1.00 0.00 S ATOM 290 CE MET A 17 -15.492 -13.325 5.801 1.00 0.00 C ATOM 0 H MET A 17 -14.946 -7.500 2.770 1.00 0.00 H new ATOM 0 HA MET A 17 -14.686 -10.164 1.645 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.916 -9.797 3.876 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.405 -9.008 4.357 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.652 -11.081 4.288 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.380 -11.907 3.410 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.146 -13.826 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.581 -13.276 5.807 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.159 -13.884 4.927 1.00 0.00 H new ATOM 300 N ARG A 18 -17.676 -8.905 2.122 1.00 0.00 N ATOM 301 CA ARG A 18 -19.116 -9.154 1.832 1.00 0.00 C ATOM 302 C ARG A 18 -19.342 -9.131 0.316 1.00 0.00 C ATOM 303 O ARG A 18 -20.156 -9.863 -0.211 1.00 0.00 O ATOM 304 CB ARG A 18 -19.964 -8.063 2.490 1.00 0.00 C ATOM 305 CG ARG A 18 -21.445 -8.434 2.385 1.00 0.00 C ATOM 306 CD ARG A 18 -22.290 -7.357 3.070 1.00 0.00 C ATOM 307 NE ARG A 18 -23.735 -7.641 2.842 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.645 -6.963 3.488 1.00 0.00 C ATOM 309 NH1 ARG A 18 -24.288 -6.036 4.335 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.909 -7.212 3.288 1.00 0.00 N ATOM 0 H ARG A 18 -17.456 -7.964 2.449 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.404 -10.128 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.680 -7.949 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.783 -7.104 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.734 -8.527 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.622 -9.403 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.076 -7.337 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.035 -6.374 2.675 1.00 0.00 H new ATOM 0 HE ARG A 18 -24.014 -8.366 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.299 -5.842 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.998 -5.506 4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -26.188 -7.937 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.619 -6.682 3.793 1.00 0.00 H new ATOM 324 N TYR A 19 -18.622 -8.295 -0.392 1.00 0.00 N ATOM 325 CA TYR A 19 -18.783 -8.218 -1.878 1.00 0.00 C ATOM 326 C TYR A 19 -17.745 -9.121 -2.540 1.00 0.00 C ATOM 327 O TYR A 19 -17.764 -9.337 -3.736 1.00 0.00 O ATOM 328 CB TYR A 19 -18.563 -6.773 -2.336 1.00 0.00 C ATOM 329 CG TYR A 19 -19.535 -5.863 -1.616 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.901 -5.936 -1.911 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.078 -4.954 -0.649 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.809 -5.105 -1.244 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.986 -4.125 0.019 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.352 -4.200 -0.279 1.00 0.00 C ATOM 335 OH TYR A 19 -22.247 -3.382 0.380 1.00 0.00 O ATOM 0 H TYR A 19 -17.926 -7.659 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.785 -8.542 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.538 -6.466 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.706 -6.696 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.255 -6.635 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.024 -4.894 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.863 -5.162 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.633 -3.427 0.764 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.764 -2.816 1.018 1.00 0.00 H new ATOM 345 N GLY A 20 -16.831 -9.642 -1.768 1.00 0.00 N ATOM 346 CA GLY A 20 -15.774 -10.529 -2.334 1.00 0.00 C ATOM 347 C GLY A 20 -14.627 -9.663 -2.848 1.00 0.00 C ATOM 348 O GLY A 20 -13.554 -9.654 -2.283 1.00 0.00 O ATOM 0 H GLY A 20 -16.770 -9.490 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.413 -11.219 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.183 -11.133 -3.144 1.00 0.00 H new ATOM 352 N ALA A 21 -14.871 -8.933 -3.912 1.00 0.00 N ATOM 353 CA ALA A 21 -13.834 -8.028 -4.520 1.00 0.00 C ATOM 354 C ALA A 21 -14.180 -7.813 -6.003 1.00 0.00 C ATOM 355 O ALA A 21 -13.352 -7.978 -6.877 1.00 0.00 O ATOM 356 CB ALA A 21 -12.424 -8.649 -4.398 1.00 0.00 C ATOM 0 H ALA A 21 -15.768 -8.925 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.832 -7.076 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.691 -7.977 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.183 -8.802 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.402 -9.607 -4.918 1.00 0.00 H new ATOM 362 N LYS A 22 -15.403 -7.456 -6.301 1.00 0.00 N ATOM 363 CA LYS A 22 -15.787 -7.243 -7.737 1.00 0.00 C ATOM 364 C LYS A 22 -16.924 -6.217 -7.869 1.00 0.00 C ATOM 365 O LYS A 22 -17.211 -5.755 -8.956 1.00 0.00 O ATOM 366 CB LYS A 22 -16.238 -8.577 -8.334 1.00 0.00 C ATOM 367 CG LYS A 22 -17.487 -9.075 -7.601 1.00 0.00 C ATOM 368 CD LYS A 22 -17.780 -10.520 -8.012 1.00 0.00 C ATOM 369 CE LYS A 22 -19.054 -11.001 -7.315 1.00 0.00 C ATOM 370 NZ LYS A 22 -20.166 -10.051 -7.601 1.00 0.00 N ATOM 0 H LYS A 22 -16.149 -7.303 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.919 -6.857 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.451 -8.457 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.438 -9.313 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.336 -9.016 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.339 -8.438 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.898 -10.585 -9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.941 -11.163 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.317 -12.000 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.889 -11.071 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.051 -10.582 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.273 -9.391 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.952 -9.516 -8.467 1.00 0.00 H new ATOM 384 N ASP A 23 -17.567 -5.840 -6.784 1.00 0.00 N ATOM 385 CA ASP A 23 -18.675 -4.831 -6.856 1.00 0.00 C ATOM 386 C ASP A 23 -18.163 -3.515 -6.275 1.00 0.00 C ATOM 387 O ASP A 23 -18.796 -2.896 -5.444 1.00 0.00 O ATOM 388 CB ASP A 23 -19.872 -5.327 -6.038 1.00 0.00 C ATOM 389 CG ASP A 23 -20.138 -6.798 -6.363 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.540 -7.073 -7.482 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.936 -7.624 -5.489 1.00 0.00 O ATOM 0 H ASP A 23 -17.369 -6.191 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.989 -4.687 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.672 -5.209 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.754 -4.728 -6.265 1.00 0.00 H new ATOM 396 N TRP A 24 -17.011 -3.096 -6.709 1.00 0.00 N ATOM 397 CA TRP A 24 -16.426 -1.831 -6.191 1.00 0.00 C ATOM 398 C TRP A 24 -17.331 -0.654 -6.545 1.00 0.00 C ATOM 399 O TRP A 24 -17.193 0.428 -6.011 1.00 0.00 O ATOM 400 CB TRP A 24 -15.041 -1.638 -6.807 1.00 0.00 C ATOM 401 CG TRP A 24 -14.189 -2.788 -6.409 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.888 -3.858 -7.181 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.538 -2.997 -5.142 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.081 -4.713 -6.451 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.836 -4.220 -5.183 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.492 -2.237 -3.972 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.107 -4.674 -4.085 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.763 -2.681 -2.867 1.00 0.00 C ATOM 409 CH2 TRP A 24 -12.069 -3.899 -2.920 1.00 0.00 C ATOM 0 H TRP A 24 -16.444 -3.579 -7.406 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.338 -1.882 -5.106 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.114 -1.577 -7.893 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.600 -0.702 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.221 -4.018 -8.196 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.713 -5.596 -6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -14.024 -1.299 -3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.577 -5.614 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.733 -2.084 -1.967 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.506 -4.238 -2.063 1.00 0.00 H new ATOM 420 N ILE A 25 -18.271 -0.857 -7.424 1.00 0.00 N ATOM 421 CA ILE A 25 -19.193 0.248 -7.786 1.00 0.00 C ATOM 422 C ILE A 25 -20.146 0.474 -6.616 1.00 0.00 C ATOM 423 O ILE A 25 -20.547 1.582 -6.331 1.00 0.00 O ATOM 424 CB ILE A 25 -19.986 -0.124 -9.049 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.427 -1.591 -8.970 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.109 0.072 -10.290 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.453 -1.877 -10.068 1.00 0.00 C ATOM 0 H ILE A 25 -18.439 -1.740 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.629 1.158 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.864 0.519 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.564 -2.247 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.859 -1.799 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.676 -0.193 -11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.798 1.115 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.228 -0.566 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.766 -2.920 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.320 -1.230 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -21.005 -1.685 -11.043 1.00 0.00 H new ATOM 439 N ARG A 26 -20.507 -0.577 -5.929 1.00 0.00 N ATOM 440 CA ARG A 26 -21.428 -0.430 -4.776 1.00 0.00 C ATOM 441 C ARG A 26 -20.636 0.082 -3.583 1.00 0.00 C ATOM 442 O ARG A 26 -21.035 1.003 -2.902 1.00 0.00 O ATOM 443 CB ARG A 26 -22.039 -1.792 -4.429 1.00 0.00 C ATOM 444 CG ARG A 26 -23.077 -2.180 -5.484 1.00 0.00 C ATOM 445 CD ARG A 26 -23.630 -3.567 -5.158 1.00 0.00 C ATOM 446 NE ARG A 26 -24.784 -3.866 -6.053 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.344 -5.044 -6.023 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.895 -5.962 -5.210 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.355 -5.305 -6.807 1.00 0.00 N ATOM 0 H ARG A 26 -20.201 -1.531 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.226 0.269 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.257 -2.550 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.506 -1.751 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.885 -1.448 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.623 -2.180 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.852 -4.320 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.945 -3.609 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.136 -3.150 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.105 -5.759 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.334 -6.882 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.706 -4.588 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.794 -6.226 -6.784 1.00 0.00 H new ATOM 463 N ILE A 27 -19.511 -0.514 -3.323 1.00 0.00 N ATOM 464 CA ILE A 27 -18.692 -0.066 -2.173 1.00 0.00 C ATOM 465 C ILE A 27 -18.383 1.421 -2.318 1.00 0.00 C ATOM 466 O ILE A 27 -18.328 2.152 -1.349 1.00 0.00 O ATOM 467 CB ILE A 27 -17.385 -0.855 -2.132 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.711 -2.345 -1.993 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.549 -0.391 -0.934 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.436 -3.180 -2.142 1.00 0.00 C ATOM 0 H ILE A 27 -19.124 -1.292 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.245 -0.236 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.818 -0.689 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.168 -2.536 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.437 -2.638 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.615 -0.953 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.330 0.672 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.107 -0.562 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.680 -4.238 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.996 -3.001 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.723 -2.897 -1.368 1.00 0.00 H new ATOM 482 N SER A 28 -18.175 1.877 -3.521 1.00 0.00 N ATOM 483 CA SER A 28 -17.865 3.318 -3.721 1.00 0.00 C ATOM 484 C SER A 28 -19.135 4.149 -3.532 1.00 0.00 C ATOM 485 O SER A 28 -19.083 5.291 -3.124 1.00 0.00 O ATOM 486 CB SER A 28 -17.319 3.528 -5.129 1.00 0.00 C ATOM 487 OG SER A 28 -16.041 2.916 -5.234 1.00 0.00 O ATOM 0 H SER A 28 -18.206 1.315 -4.372 1.00 0.00 H new ATOM 0 HA SER A 28 -17.119 3.633 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.001 3.100 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.244 4.593 -5.347 1.00 0.00 H new ATOM 0 HG SER A 28 -16.150 1.968 -5.459 1.00 0.00 H new ATOM 493 N GLN A 29 -20.276 3.590 -3.825 1.00 0.00 N ATOM 494 CA GLN A 29 -21.541 4.367 -3.658 1.00 0.00 C ATOM 495 C GLN A 29 -21.725 4.719 -2.179 1.00 0.00 C ATOM 496 O GLN A 29 -22.105 5.821 -1.838 1.00 0.00 O ATOM 497 CB GLN A 29 -22.731 3.529 -4.158 1.00 0.00 C ATOM 498 CG GLN A 29 -22.803 3.578 -5.698 1.00 0.00 C ATOM 499 CD GLN A 29 -23.494 4.869 -6.152 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.509 5.252 -5.605 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.982 5.557 -7.135 1.00 0.00 N ATOM 0 H GLN A 29 -20.390 2.637 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.490 5.287 -4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.625 2.497 -3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.659 3.909 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.799 3.527 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.350 2.713 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -22.130 5.235 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -23.434 6.417 -7.445 1.00 0.00 H new ATOM 510 N LEU A 30 -21.451 3.797 -1.298 1.00 0.00 N ATOM 511 CA LEU A 30 -21.604 4.095 0.153 1.00 0.00 C ATOM 512 C LEU A 30 -20.530 5.103 0.568 1.00 0.00 C ATOM 513 O LEU A 30 -20.804 6.074 1.246 1.00 0.00 O ATOM 514 CB LEU A 30 -21.444 2.802 0.965 1.00 0.00 C ATOM 515 CG LEU A 30 -22.201 1.659 0.283 1.00 0.00 C ATOM 516 CD1 LEU A 30 -22.114 0.405 1.157 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.673 2.050 0.089 1.00 0.00 C ATOM 0 H LEU A 30 -21.129 2.855 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.593 4.512 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.388 2.547 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.824 2.948 1.976 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.755 1.460 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.652 -0.412 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.069 0.124 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.560 0.609 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.206 1.232 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.126 2.253 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.733 2.943 -0.533 1.00 0.00 H new ATOM 529 N MET A 31 -19.305 4.870 0.159 1.00 0.00 N ATOM 530 CA MET A 31 -18.176 5.794 0.510 1.00 0.00 C ATOM 531 C MET A 31 -17.669 6.491 -0.752 1.00 0.00 C ATOM 532 O MET A 31 -16.545 6.306 -1.159 1.00 0.00 O ATOM 533 CB MET A 31 -17.036 4.981 1.126 1.00 0.00 C ATOM 534 CG MET A 31 -17.506 4.355 2.440 1.00 0.00 C ATOM 535 SD MET A 31 -16.180 3.337 3.132 1.00 0.00 S ATOM 536 CE MET A 31 -17.144 2.583 4.465 1.00 0.00 C ATOM 0 H MET A 31 -19.035 4.068 -0.411 1.00 0.00 H new ATOM 0 HA MET A 31 -18.527 6.542 1.221 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.716 4.202 0.434 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.173 5.623 1.305 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.786 5.136 3.147 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.394 3.747 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.509 1.903 5.033 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.523 3.363 5.126 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.981 2.029 4.040 1.00 0.00 H new ATOM 546 N ILE A 32 -18.484 7.304 -1.369 1.00 0.00 N ATOM 547 CA ILE A 32 -18.038 8.025 -2.600 1.00 0.00 C ATOM 548 C ILE A 32 -16.719 8.749 -2.314 1.00 0.00 C ATOM 549 O ILE A 32 -16.062 9.249 -3.206 1.00 0.00 O ATOM 550 CB ILE A 32 -19.105 9.049 -2.988 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.518 9.836 -1.741 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.327 8.328 -3.561 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.390 11.020 -2.151 1.00 0.00 C ATOM 0 H ILE A 32 -19.441 7.501 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.893 7.315 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.704 9.729 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.064 9.189 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.633 10.189 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.086 9.061 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.034 7.760 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.734 7.649 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.684 11.580 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.828 11.671 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.281 10.656 -2.662 1.00 0.00 H new ATOM 565 N THR A 33 -16.336 8.810 -1.071 1.00 0.00 N ATOM 566 CA THR A 33 -15.070 9.501 -0.695 1.00 0.00 C ATOM 567 C THR A 33 -13.927 9.050 -1.610 1.00 0.00 C ATOM 568 O THR A 33 -12.894 9.687 -1.676 1.00 0.00 O ATOM 569 CB THR A 33 -14.726 9.163 0.758 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.812 7.758 0.943 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.711 9.861 1.697 1.00 0.00 C ATOM 0 H THR A 33 -16.852 8.406 -0.289 1.00 0.00 H new ATOM 0 HA THR A 33 -15.203 10.577 -0.804 1.00 0.00 H new ATOM 0 HB THR A 33 -13.715 9.503 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.359 7.565 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.463 9.618 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.649 10.940 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.724 9.523 1.478 1.00 0.00 H new ATOM 579 N ARG A 34 -14.096 7.963 -2.324 1.00 0.00 N ATOM 580 CA ARG A 34 -13.001 7.493 -3.240 1.00 0.00 C ATOM 581 C ARG A 34 -13.605 6.794 -4.463 1.00 0.00 C ATOM 582 O ARG A 34 -14.797 6.567 -4.532 1.00 0.00 O ATOM 583 CB ARG A 34 -12.035 6.558 -2.477 1.00 0.00 C ATOM 584 CG ARG A 34 -12.584 5.132 -2.336 1.00 0.00 C ATOM 585 CD ARG A 34 -13.977 5.142 -1.706 1.00 0.00 C ATOM 586 NE ARG A 34 -13.932 5.870 -0.403 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.485 5.267 0.669 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.075 4.030 0.598 1.00 0.00 N ATOM 589 NH2 ARG A 34 -13.446 5.900 1.810 1.00 0.00 N ATOM 0 H ARG A 34 -14.935 7.384 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.429 8.352 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.079 6.525 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.844 6.970 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.627 4.656 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.908 4.537 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.688 5.623 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.325 4.121 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.250 6.838 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.103 3.534 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.726 3.560 1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.764 6.867 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.097 5.427 2.644 1.00 0.00 H new ATOM 603 N ASN A 35 -12.793 6.478 -5.445 1.00 0.00 N ATOM 604 CA ASN A 35 -13.319 5.819 -6.686 1.00 0.00 C ATOM 605 C ASN A 35 -13.156 4.291 -6.583 1.00 0.00 C ATOM 606 O ASN A 35 -12.269 3.809 -5.911 1.00 0.00 O ATOM 607 CB ASN A 35 -12.537 6.349 -7.902 1.00 0.00 C ATOM 608 CG ASN A 35 -12.267 7.844 -7.720 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.971 8.517 -6.993 1.00 0.00 O ATOM 610 ND2 ASN A 35 -11.269 8.396 -8.355 1.00 0.00 N ATOM 0 H ASN A 35 -11.787 6.648 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.378 6.048 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.596 5.808 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.106 6.180 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.080 9.392 -8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.678 7.831 -8.965 1.00 0.00 H new ATOM 617 N PRO A 36 -13.990 3.522 -7.251 1.00 0.00 N ATOM 618 CA PRO A 36 -13.889 2.034 -7.217 1.00 0.00 C ATOM 619 C PRO A 36 -12.438 1.553 -7.341 1.00 0.00 C ATOM 620 O PRO A 36 -12.015 0.627 -6.677 1.00 0.00 O ATOM 621 CB PRO A 36 -14.698 1.604 -8.447 1.00 0.00 C ATOM 622 CG PRO A 36 -15.755 2.650 -8.590 1.00 0.00 C ATOM 623 CD PRO A 36 -15.119 3.962 -8.107 1.00 0.00 C ATOM 0 HA PRO A 36 -14.253 1.616 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.069 1.552 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.135 0.615 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.084 2.734 -9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.634 2.400 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.772 4.569 -8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.831 4.568 -7.547 1.00 0.00 H new ATOM 631 N ARG A 37 -11.687 2.172 -8.206 1.00 0.00 N ATOM 632 CA ARG A 37 -10.273 1.759 -8.408 1.00 0.00 C ATOM 633 C ARG A 37 -9.437 2.120 -7.180 1.00 0.00 C ATOM 634 O ARG A 37 -8.440 1.490 -6.901 1.00 0.00 O ATOM 635 CB ARG A 37 -9.708 2.478 -9.634 1.00 0.00 C ATOM 636 CG ARG A 37 -10.592 2.190 -10.849 1.00 0.00 C ATOM 637 CD ARG A 37 -9.953 2.793 -12.102 1.00 0.00 C ATOM 638 NE ARG A 37 -9.484 4.175 -11.804 1.00 0.00 N ATOM 639 CZ ARG A 37 -10.351 5.135 -11.627 1.00 0.00 C ATOM 640 NH1 ARG A 37 -11.629 4.885 -11.711 1.00 0.00 N ATOM 641 NH2 ARG A 37 -9.939 6.346 -11.368 1.00 0.00 N ATOM 0 H ARG A 37 -11.995 2.952 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.235 0.680 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.663 3.551 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.688 2.145 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.717 1.114 -10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.586 2.611 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.116 2.176 -12.429 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.675 2.811 -12.919 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.485 4.371 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.951 3.939 -11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.306 5.636 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.940 6.542 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.616 7.096 -11.230 1.00 0.00 H new ATOM 655 N GLN A 38 -9.821 3.134 -6.454 1.00 0.00 N ATOM 656 CA GLN A 38 -9.023 3.532 -5.259 1.00 0.00 C ATOM 657 C GLN A 38 -9.093 2.446 -4.184 1.00 0.00 C ATOM 658 O GLN A 38 -8.093 2.110 -3.581 1.00 0.00 O ATOM 659 CB GLN A 38 -9.550 4.851 -4.695 1.00 0.00 C ATOM 660 CG GLN A 38 -9.217 5.986 -5.667 1.00 0.00 C ATOM 661 CD GLN A 38 -9.715 7.315 -5.100 1.00 0.00 C ATOM 662 OE1 GLN A 38 -10.558 7.963 -5.689 1.00 0.00 O ATOM 663 NE2 GLN A 38 -9.227 7.753 -3.973 1.00 0.00 N ATOM 0 H GLN A 38 -10.649 3.702 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.984 3.660 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.628 4.790 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.102 5.048 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.141 6.031 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.681 5.796 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.520 7.210 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.553 8.639 -3.586 1.00 0.00 H new ATOM 672 N CYS A 39 -10.244 1.880 -3.924 1.00 0.00 N ATOM 673 CA CYS A 39 -10.299 0.819 -2.885 1.00 0.00 C ATOM 674 C CYS A 39 -9.688 -0.454 -3.464 1.00 0.00 C ATOM 675 O CYS A 39 -9.085 -1.247 -2.767 1.00 0.00 O ATOM 676 CB CYS A 39 -11.754 0.548 -2.497 1.00 0.00 C ATOM 677 SG CYS A 39 -12.664 2.101 -2.365 1.00 0.00 S ATOM 0 H CYS A 39 -11.130 2.103 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.748 1.138 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.223 -0.094 -3.242 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.791 0.014 -1.547 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.898 1.855 -2.037 1.00 0.00 H new ATOM 683 N ARG A 40 -9.862 -0.662 -4.741 1.00 0.00 N ATOM 684 CA ARG A 40 -9.317 -1.892 -5.374 1.00 0.00 C ATOM 685 C ARG A 40 -7.806 -1.980 -5.144 1.00 0.00 C ATOM 686 O ARG A 40 -7.290 -3.009 -4.754 1.00 0.00 O ATOM 687 CB ARG A 40 -9.609 -1.863 -6.879 1.00 0.00 C ATOM 688 CG ARG A 40 -9.041 -3.117 -7.572 1.00 0.00 C ATOM 689 CD ARG A 40 -9.654 -4.395 -6.974 1.00 0.00 C ATOM 690 NE ARG A 40 -9.565 -5.496 -7.974 1.00 0.00 N ATOM 691 CZ ARG A 40 -8.405 -6.016 -8.272 1.00 0.00 C ATOM 692 NH1 ARG A 40 -7.322 -5.572 -7.694 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.328 -6.981 -9.148 1.00 0.00 N ATOM 0 H ARG A 40 -10.358 -0.032 -5.371 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.793 -2.764 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.685 -1.807 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.172 -0.968 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.250 -3.074 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.957 -3.141 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.127 -4.673 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.694 -4.220 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.411 -5.844 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.382 -4.818 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.416 -5.979 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.174 -7.329 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.422 -7.387 -9.381 1.00 0.00 H new ATOM 707 N GLU A 41 -7.087 -0.922 -5.399 1.00 0.00 N ATOM 708 CA GLU A 41 -5.609 -0.973 -5.210 1.00 0.00 C ATOM 709 C GLU A 41 -5.284 -1.255 -3.744 1.00 0.00 C ATOM 710 O GLU A 41 -4.224 -1.748 -3.419 1.00 0.00 O ATOM 711 CB GLU A 41 -4.969 0.355 -5.634 1.00 0.00 C ATOM 712 CG GLU A 41 -5.675 1.526 -4.943 1.00 0.00 C ATOM 713 CD GLU A 41 -4.846 2.801 -5.117 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.698 2.798 -4.708 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.375 3.758 -5.657 1.00 0.00 O ATOM 0 H GLU A 41 -7.455 -0.030 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.205 -1.772 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.910 0.356 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.033 0.469 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.669 1.666 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.809 1.309 -3.883 1.00 0.00 H new ATOM 722 N ARG A 42 -6.186 -0.942 -2.855 1.00 0.00 N ATOM 723 CA ARG A 42 -5.921 -1.189 -1.407 1.00 0.00 C ATOM 724 C ARG A 42 -6.077 -2.687 -1.110 1.00 0.00 C ATOM 725 O ARG A 42 -5.280 -3.281 -0.412 1.00 0.00 O ATOM 726 CB ARG A 42 -6.923 -0.363 -0.574 1.00 0.00 C ATOM 727 CG ARG A 42 -6.376 -0.102 0.848 1.00 0.00 C ATOM 728 CD ARG A 42 -5.322 1.030 0.852 1.00 0.00 C ATOM 729 NE ARG A 42 -3.980 0.477 0.513 1.00 0.00 N ATOM 730 CZ ARG A 42 -2.954 1.276 0.393 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.104 2.560 0.567 1.00 0.00 N ATOM 732 NH2 ARG A 42 -1.780 0.789 0.098 1.00 0.00 N ATOM 0 H ARG A 42 -7.093 -0.527 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.906 -0.888 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.120 0.586 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.873 -0.893 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.199 0.163 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.931 -1.016 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.600 1.800 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.291 1.506 1.832 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.863 -0.527 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.022 2.940 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.303 3.184 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.664 -0.215 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.978 1.412 0.004 1.00 0.00 H new ATOM 746 N TRP A 43 -7.102 -3.295 -1.638 1.00 0.00 N ATOM 747 CA TRP A 43 -7.338 -4.749 -1.404 1.00 0.00 C ATOM 748 C TRP A 43 -6.056 -5.541 -1.647 1.00 0.00 C ATOM 749 O TRP A 43 -5.565 -6.223 -0.776 1.00 0.00 O ATOM 750 CB TRP A 43 -8.411 -5.200 -2.407 1.00 0.00 C ATOM 751 CG TRP A 43 -8.925 -6.577 -2.101 1.00 0.00 C ATOM 752 CD1 TRP A 43 -9.314 -7.027 -0.886 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.141 -7.682 -3.029 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.744 -8.337 -1.008 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.657 -8.785 -2.308 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.936 -7.833 -4.412 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.959 -9.993 -2.936 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -9.239 -9.048 -5.048 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.749 -10.126 -4.311 1.00 0.00 C ATOM 0 H TRP A 43 -7.797 -2.840 -2.230 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.656 -4.921 -0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.240 -4.492 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.995 -5.184 -3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.293 -6.456 0.031 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.084 -8.902 -0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.543 -7.009 -4.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.352 -10.820 -2.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.078 -9.152 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.979 -11.058 -4.805 1.00 0.00 H new ATOM 770 N ASN A 44 -5.515 -5.444 -2.821 1.00 0.00 N ATOM 771 CA ASN A 44 -4.271 -6.203 -3.146 1.00 0.00 C ATOM 772 C ASN A 44 -3.061 -5.647 -2.388 1.00 0.00 C ATOM 773 O ASN A 44 -2.217 -6.391 -1.929 1.00 0.00 O ATOM 774 CB ASN A 44 -4.013 -6.124 -4.655 1.00 0.00 C ATOM 775 CG ASN A 44 -4.165 -4.677 -5.127 1.00 0.00 C ATOM 776 OD1 ASN A 44 -3.532 -3.784 -4.601 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.988 -4.407 -6.104 1.00 0.00 N ATOM 0 H ASN A 44 -5.879 -4.868 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.411 -7.240 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.011 -6.488 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.714 -6.766 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.100 -3.446 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.519 -5.158 -6.545 1.00 0.00 H new ATOM 784 N ASN A 45 -2.943 -4.353 -2.274 1.00 0.00 N ATOM 785 CA ASN A 45 -1.756 -3.773 -1.570 1.00 0.00 C ATOM 786 C ASN A 45 -1.997 -3.682 -0.063 1.00 0.00 C ATOM 787 O ASN A 45 -1.283 -2.988 0.631 1.00 0.00 O ATOM 788 CB ASN A 45 -1.484 -2.371 -2.117 1.00 0.00 C ATOM 789 CG ASN A 45 -1.197 -2.453 -3.618 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.270 -3.117 -4.036 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.960 -1.799 -4.451 1.00 0.00 N ATOM 0 H ASN A 45 -3.611 -3.672 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.900 -4.425 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.343 -1.726 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.635 -1.925 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.778 -1.845 -5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.738 -1.241 -4.099 1.00 0.00 H new ATOM 798 N TYR A 46 -2.980 -4.369 0.466 1.00 0.00 N ATOM 799 CA TYR A 46 -3.214 -4.293 1.946 1.00 0.00 C ATOM 800 C TYR A 46 -3.833 -5.606 2.448 1.00 0.00 C ATOM 801 O TYR A 46 -3.285 -6.253 3.318 1.00 0.00 O ATOM 802 CB TYR A 46 -4.131 -3.087 2.252 1.00 0.00 C ATOM 803 CG TYR A 46 -3.705 -2.392 3.540 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.299 -3.148 4.650 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.722 -0.993 3.621 1.00 0.00 C ATOM 806 CE1 TYR A 46 -2.911 -2.507 5.832 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.336 -0.354 4.805 1.00 0.00 C ATOM 808 CZ TYR A 46 -2.930 -1.110 5.909 1.00 0.00 C ATOM 809 OH TYR A 46 -2.550 -0.479 7.076 1.00 0.00 O ATOM 0 H TYR A 46 -3.622 -4.970 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.267 -4.152 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.096 -2.379 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.164 -3.424 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.286 -4.226 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.033 -0.407 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.597 -3.091 6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.352 0.724 4.866 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.620 0.492 6.961 1.00 0.00 H new ATOM 819 N ILE A 47 -4.964 -6.009 1.918 1.00 0.00 N ATOM 820 CA ILE A 47 -5.604 -7.288 2.380 1.00 0.00 C ATOM 821 C ILE A 47 -6.252 -8.024 1.193 1.00 0.00 C ATOM 822 O ILE A 47 -7.109 -7.515 0.500 1.00 0.00 O ATOM 823 CB ILE A 47 -6.627 -7.023 3.532 1.00 0.00 C ATOM 824 CG1 ILE A 47 -8.019 -6.552 3.039 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.067 -5.967 4.494 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.941 -5.165 2.393 1.00 0.00 C ATOM 0 H ILE A 47 -5.472 -5.511 1.187 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.828 -7.936 2.788 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.768 -7.982 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.414 -7.269 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.715 -6.526 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.785 -5.787 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.130 -6.324 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.888 -5.039 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.933 -4.863 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.570 -4.445 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.264 -5.199 1.539 1.00 0.00 H new ATOM 838 N ASN A 48 -5.814 -9.234 0.968 1.00 0.00 N ATOM 839 CA ASN A 48 -6.347 -10.081 -0.147 1.00 0.00 C ATOM 840 C ASN A 48 -5.613 -11.436 -0.133 1.00 0.00 C ATOM 841 O ASN A 48 -6.229 -12.476 -0.251 1.00 0.00 O ATOM 842 CB ASN A 48 -6.165 -9.355 -1.519 1.00 0.00 C ATOM 843 CG ASN A 48 -5.255 -10.136 -2.488 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.642 -11.164 -3.006 1.00 0.00 O ATOM 845 ND2 ASN A 48 -4.058 -9.684 -2.751 1.00 0.00 N ATOM 0 H ASN A 48 -5.089 -9.685 1.525 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.415 -10.251 -0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.141 -9.210 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.743 -8.365 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.449 -10.194 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.732 -8.821 -2.316 1.00 0.00 H new ATOM 852 N PRO A 49 -4.301 -11.425 -0.015 1.00 0.00 N ATOM 853 CA PRO A 49 -3.477 -12.654 -0.015 1.00 0.00 C ATOM 854 C PRO A 49 -3.069 -13.082 1.403 1.00 0.00 C ATOM 855 O PRO A 49 -3.816 -13.731 2.108 1.00 0.00 O ATOM 856 CB PRO A 49 -2.256 -12.198 -0.833 1.00 0.00 C ATOM 857 CG PRO A 49 -2.095 -10.721 -0.508 1.00 0.00 C ATOM 858 CD PRO A 49 -3.425 -10.252 0.137 1.00 0.00 C ATOM 0 HA PRO A 49 -3.993 -13.526 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.364 -12.762 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.416 -12.352 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.259 -10.565 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.881 -10.148 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.292 -9.981 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.832 -9.377 -0.369 1.00 0.00 H new ATOM 866 N ALA A 50 -1.887 -12.718 1.817 1.00 0.00 N ATOM 867 CA ALA A 50 -1.407 -13.088 3.177 1.00 0.00 C ATOM 868 C ALA A 50 -0.032 -12.455 3.385 1.00 0.00 C ATOM 869 O ALA A 50 0.814 -12.978 4.081 1.00 0.00 O ATOM 870 CB ALA A 50 -1.296 -14.612 3.292 1.00 0.00 C ATOM 0 H ALA A 50 -1.226 -12.173 1.264 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.107 -12.731 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.944 -14.877 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.274 -15.062 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.591 -14.983 2.548 1.00 0.00 H new ATOM 876 N LEU A 51 0.189 -11.332 2.762 1.00 0.00 N ATOM 877 CA LEU A 51 1.503 -10.639 2.882 1.00 0.00 C ATOM 878 C LEU A 51 1.725 -10.136 4.313 1.00 0.00 C ATOM 879 O LEU A 51 2.564 -9.291 4.554 1.00 0.00 O ATOM 880 CB LEU A 51 1.560 -9.459 1.896 1.00 0.00 C ATOM 881 CG LEU A 51 0.285 -8.580 1.991 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.264 -7.770 3.305 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.246 -7.618 0.791 1.00 0.00 C ATOM 0 H LEU A 51 -0.492 -10.859 2.168 1.00 0.00 H new ATOM 0 HA LEU A 51 2.293 -11.350 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.440 -8.850 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.668 -9.837 0.879 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.589 -9.231 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.641 -7.163 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.280 -8.453 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.138 -7.120 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.648 -6.997 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.131 -6.982 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.227 -8.192 -0.135 1.00 0.00 H new ATOM 895 N ARG A 52 0.995 -10.649 5.267 1.00 0.00 N ATOM 896 CA ARG A 52 1.188 -10.194 6.674 1.00 0.00 C ATOM 897 C ARG A 52 2.665 -10.341 7.049 1.00 0.00 C ATOM 898 O ARG A 52 3.115 -9.838 8.060 1.00 0.00 O ATOM 899 CB ARG A 52 0.335 -11.049 7.611 1.00 0.00 C ATOM 900 CG ARG A 52 -1.140 -10.918 7.223 1.00 0.00 C ATOM 901 CD ARG A 52 -2.004 -11.664 8.241 1.00 0.00 C ATOM 902 NE ARG A 52 -1.629 -13.106 8.250 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.977 -13.878 7.257 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.654 -13.389 6.255 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.647 -15.141 7.266 1.00 0.00 N ATOM 0 H ARG A 52 0.276 -11.360 5.134 1.00 0.00 H new ATOM 0 HA ARG A 52 0.887 -9.151 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.646 -12.092 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.480 -10.731 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.426 -9.867 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.302 -11.325 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.867 -11.235 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.059 -11.553 7.989 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.100 -13.490 9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.912 -12.402 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.925 -13.993 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.117 -15.524 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.919 -15.745 6.490 1.00 0.00 H new ATOM 919 N THR A 53 3.423 -11.027 6.233 1.00 0.00 N ATOM 920 CA THR A 53 4.875 -11.213 6.527 1.00 0.00 C ATOM 921 C THR A 53 5.617 -11.546 5.229 1.00 0.00 C ATOM 922 O THR A 53 6.096 -12.647 5.043 1.00 0.00 O ATOM 923 CB THR A 53 5.051 -12.360 7.525 1.00 0.00 C ATOM 924 OG1 THR A 53 4.180 -12.162 8.630 1.00 0.00 O ATOM 925 CG2 THR A 53 6.499 -12.396 8.014 1.00 0.00 C ATOM 0 H THR A 53 3.097 -11.468 5.373 1.00 0.00 H new ATOM 0 HA THR A 53 5.281 -10.296 6.954 1.00 0.00 H new ATOM 0 HB THR A 53 4.812 -13.305 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.001 -11.205 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.623 -13.213 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.166 -12.549 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.742 -11.452 8.501 1.00 0.00 H new ATOM 933 N ASP A 54 5.712 -10.596 4.328 1.00 0.00 N ATOM 934 CA ASP A 54 6.419 -10.827 3.025 1.00 0.00 C ATOM 935 C ASP A 54 7.380 -9.665 2.767 1.00 0.00 C ATOM 936 O ASP A 54 7.154 -8.861 1.889 1.00 0.00 O ATOM 937 CB ASP A 54 5.382 -10.883 1.898 1.00 0.00 C ATOM 938 CG ASP A 54 6.055 -11.342 0.602 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.267 -11.474 0.599 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.344 -11.554 -0.366 1.00 0.00 O ATOM 0 H ASP A 54 5.325 -9.659 4.441 1.00 0.00 H new ATOM 0 HA ASP A 54 6.974 -11.764 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.578 -11.569 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.930 -9.901 1.757 1.00 0.00 H new ATOM 945 N PRO A 55 8.443 -9.563 3.529 1.00 0.00 N ATOM 946 CA PRO A 55 9.432 -8.456 3.370 1.00 0.00 C ATOM 947 C PRO A 55 10.279 -8.615 2.103 1.00 0.00 C ATOM 948 O PRO A 55 10.738 -9.690 1.776 1.00 0.00 O ATOM 949 CB PRO A 55 10.293 -8.564 4.636 1.00 0.00 C ATOM 950 CG PRO A 55 10.248 -10.012 4.985 1.00 0.00 C ATOM 951 CD PRO A 55 8.834 -10.481 4.621 1.00 0.00 C ATOM 0 HA PRO A 55 8.953 -7.483 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.314 -8.230 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.895 -7.947 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.001 -10.572 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.451 -10.166 6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.826 -11.521 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.155 -10.409 5.470 1.00 0.00 H new ATOM 959 N TRP A 56 10.481 -7.541 1.392 1.00 0.00 N ATOM 960 CA TRP A 56 11.293 -7.610 0.140 1.00 0.00 C ATOM 961 C TRP A 56 12.780 -7.754 0.496 1.00 0.00 C ATOM 962 O TRP A 56 13.133 -7.998 1.633 1.00 0.00 O ATOM 963 CB TRP A 56 11.051 -6.352 -0.731 1.00 0.00 C ATOM 964 CG TRP A 56 10.677 -5.165 0.109 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.437 -4.909 0.584 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.513 -4.052 0.540 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.454 -3.714 1.281 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.712 -3.147 1.282 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.872 -3.743 0.367 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.243 -1.977 1.825 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.408 -2.569 0.911 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.597 -1.685 1.637 1.00 0.00 C ATOM 0 H TRP A 56 10.119 -6.616 1.622 1.00 0.00 H new ATOM 0 HA TRP A 56 10.987 -8.482 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.951 -6.125 -1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.258 -6.554 -1.451 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.571 -5.538 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.639 -3.304 1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.508 -4.415 -0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.613 -1.302 2.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.455 -2.343 0.770 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.018 -0.780 2.050 1.00 0.00 H new ATOM 983 N SER A 57 13.649 -7.631 -0.484 1.00 0.00 N ATOM 984 CA SER A 57 15.124 -7.788 -0.245 1.00 0.00 C ATOM 985 C SER A 57 15.875 -6.598 -0.884 1.00 0.00 C ATOM 986 O SER A 57 15.264 -5.715 -1.453 1.00 0.00 O ATOM 987 CB SER A 57 15.556 -9.131 -0.878 1.00 0.00 C ATOM 988 OG SER A 57 14.392 -9.898 -1.157 1.00 0.00 O ATOM 0 H SER A 57 13.396 -7.426 -1.451 1.00 0.00 H new ATOM 0 HA SER A 57 15.359 -7.794 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.120 -8.953 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.213 -9.675 -0.199 1.00 0.00 H new ATOM 0 HG SER A 57 14.652 -10.752 -1.561 1.00 0.00 H new ATOM 994 N PRO A 58 17.189 -6.567 -0.782 1.00 0.00 N ATOM 995 CA PRO A 58 18.022 -5.457 -1.349 1.00 0.00 C ATOM 996 C PRO A 58 17.650 -5.099 -2.797 1.00 0.00 C ATOM 997 O PRO A 58 18.037 -4.069 -3.310 1.00 0.00 O ATOM 998 CB PRO A 58 19.451 -6.010 -1.263 1.00 0.00 C ATOM 999 CG PRO A 58 19.415 -6.900 -0.066 1.00 0.00 C ATOM 1000 CD PRO A 58 18.042 -7.578 -0.117 1.00 0.00 C ATOM 0 HA PRO A 58 17.879 -4.524 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.722 -6.561 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.183 -5.211 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.219 -7.635 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.539 -6.329 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.074 -8.511 -0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.676 -7.821 0.880 1.00 0.00 H new ATOM 1008 N GLU A 59 16.906 -5.942 -3.455 1.00 0.00 N ATOM 1009 CA GLU A 59 16.511 -5.662 -4.855 1.00 0.00 C ATOM 1010 C GLU A 59 15.544 -4.490 -4.863 1.00 0.00 C ATOM 1011 O GLU A 59 15.714 -3.545 -5.604 1.00 0.00 O ATOM 1012 CB GLU A 59 15.828 -6.895 -5.453 1.00 0.00 C ATOM 1013 CG GLU A 59 16.796 -8.079 -5.425 1.00 0.00 C ATOM 1014 CD GLU A 59 17.927 -7.839 -6.427 1.00 0.00 C ATOM 1015 OE1 GLU A 59 17.651 -7.851 -7.615 1.00 0.00 O ATOM 1016 OE2 GLU A 59 19.050 -7.646 -5.989 1.00 0.00 O ATOM 0 H GLU A 59 16.553 -6.821 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 59 17.393 -5.421 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.927 -7.135 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.517 -6.690 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.205 -8.204 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.268 -9.000 -5.671 1.00 0.00 H new ATOM 1023 N GLU A 60 14.538 -4.523 -4.030 1.00 0.00 N ATOM 1024 CA GLU A 60 13.589 -3.384 -4.000 1.00 0.00 C ATOM 1025 C GLU A 60 14.277 -2.215 -3.302 1.00 0.00 C ATOM 1026 O GLU A 60 13.970 -1.075 -3.545 1.00 0.00 O ATOM 1027 CB GLU A 60 12.319 -3.777 -3.250 1.00 0.00 C ATOM 1028 CG GLU A 60 11.653 -4.962 -3.955 1.00 0.00 C ATOM 1029 CD GLU A 60 11.138 -4.522 -5.327 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.029 -3.327 -5.543 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.862 -5.390 -6.139 1.00 0.00 O ATOM 0 H GLU A 60 14.338 -5.282 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 60 13.306 -3.101 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.560 -4.042 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.632 -2.932 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.367 -5.778 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.829 -5.341 -3.351 1.00 0.00 H new ATOM 1038 N ASP A 61 15.232 -2.493 -2.452 1.00 0.00 N ATOM 1039 CA ASP A 61 15.953 -1.385 -1.765 1.00 0.00 C ATOM 1040 C ASP A 61 16.695 -0.568 -2.823 1.00 0.00 C ATOM 1041 O ASP A 61 16.517 0.628 -2.944 1.00 0.00 O ATOM 1042 CB ASP A 61 16.966 -1.963 -0.762 1.00 0.00 C ATOM 1043 CG ASP A 61 17.387 -0.880 0.235 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.518 -0.164 0.706 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.572 -0.783 0.509 1.00 0.00 O ATOM 0 H ASP A 61 15.541 -3.434 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 61 15.244 -0.756 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.525 -2.807 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.840 -2.342 -1.292 1.00 0.00 H new ATOM 1050 N MET A 62 17.524 -1.217 -3.594 1.00 0.00 N ATOM 1051 CA MET A 62 18.279 -0.500 -4.652 1.00 0.00 C ATOM 1052 C MET A 62 17.293 0.081 -5.663 1.00 0.00 C ATOM 1053 O MET A 62 17.448 1.197 -6.118 1.00 0.00 O ATOM 1054 CB MET A 62 19.223 -1.475 -5.359 1.00 0.00 C ATOM 1055 CG MET A 62 20.255 -2.003 -4.360 1.00 0.00 C ATOM 1056 SD MET A 62 21.164 -3.382 -5.104 1.00 0.00 S ATOM 1057 CE MET A 62 21.891 -2.461 -6.483 1.00 0.00 C ATOM 0 H MET A 62 17.710 -2.218 -3.534 1.00 0.00 H new ATOM 0 HA MET A 62 18.863 0.304 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.656 -2.303 -5.784 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.726 -0.975 -6.187 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.945 -1.208 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.758 -2.331 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.796 -2.966 -6.821 1.00 0.00 H new ATOM 0 HE2 MET A 62 21.176 -2.410 -7.304 1.00 0.00 H new ATOM 0 HE3 MET A 62 22.140 -1.452 -6.155 1.00 0.00 H new ATOM 1067 N LEU A 63 16.274 -0.659 -6.018 1.00 0.00 N ATOM 1068 CA LEU A 63 15.285 -0.115 -7.002 1.00 0.00 C ATOM 1069 C LEU A 63 14.406 0.926 -6.292 1.00 0.00 C ATOM 1070 O LEU A 63 13.863 1.817 -6.914 1.00 0.00 O ATOM 1071 CB LEU A 63 14.418 -1.266 -7.570 1.00 0.00 C ATOM 1072 CG LEU A 63 15.033 -1.822 -8.866 1.00 0.00 C ATOM 1073 CD1 LEU A 63 16.412 -2.425 -8.578 1.00 0.00 C ATOM 1074 CD2 LEU A 63 14.117 -2.908 -9.434 1.00 0.00 C ATOM 0 H LEU A 63 16.084 -1.601 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 63 15.806 0.359 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.333 -2.063 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.409 -0.905 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 63 15.141 -1.011 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.838 -2.816 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 63 17.068 -1.655 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.311 -3.234 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.549 -3.305 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.011 -3.712 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.137 -2.482 -9.649 1.00 0.00 H new ATOM 1086 N LEU A 64 14.273 0.831 -4.995 1.00 0.00 N ATOM 1087 CA LEU A 64 13.445 1.828 -4.261 1.00 0.00 C ATOM 1088 C LEU A 64 14.144 3.182 -4.349 1.00 0.00 C ATOM 1089 O LEU A 64 13.531 4.187 -4.623 1.00 0.00 O ATOM 1090 CB LEU A 64 13.279 1.389 -2.786 1.00 0.00 C ATOM 1091 CG LEU A 64 12.797 2.570 -1.880 1.00 0.00 C ATOM 1092 CD1 LEU A 64 11.799 2.058 -0.830 1.00 0.00 C ATOM 1093 CD2 LEU A 64 13.988 3.211 -1.141 1.00 0.00 C ATOM 0 H LEU A 64 14.701 0.109 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 64 12.451 1.900 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.561 0.570 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.229 1.007 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 64 12.322 3.311 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.470 2.888 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.937 1.618 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.281 1.304 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.631 4.030 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.473 2.462 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.704 3.595 -1.868 1.00 0.00 H new ATOM 1105 N ASP A 65 15.431 3.219 -4.132 1.00 0.00 N ATOM 1106 CA ASP A 65 16.158 4.519 -4.221 1.00 0.00 C ATOM 1107 C ASP A 65 15.790 5.205 -5.540 1.00 0.00 C ATOM 1108 O ASP A 65 15.693 6.412 -5.623 1.00 0.00 O ATOM 1109 CB ASP A 65 17.666 4.264 -4.181 1.00 0.00 C ATOM 1110 CG ASP A 65 18.072 3.814 -2.776 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.659 4.459 -1.827 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.788 2.833 -2.675 1.00 0.00 O ATOM 0 H ASP A 65 16.008 2.411 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 65 15.879 5.157 -3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.936 3.501 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.206 5.171 -4.454 1.00 0.00 H new ATOM 1117 N GLN A 66 15.579 4.430 -6.571 1.00 0.00 N ATOM 1118 CA GLN A 66 15.209 5.016 -7.892 1.00 0.00 C ATOM 1119 C GLN A 66 13.720 5.379 -7.909 1.00 0.00 C ATOM 1120 O GLN A 66 13.342 6.460 -8.315 1.00 0.00 O ATOM 1121 CB GLN A 66 15.495 3.997 -8.997 1.00 0.00 C ATOM 1122 CG GLN A 66 16.990 3.671 -9.018 1.00 0.00 C ATOM 1123 CD GLN A 66 17.255 2.547 -10.022 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.716 2.551 -11.110 1.00 0.00 O ATOM 1125 NE2 GLN A 66 18.068 1.579 -9.698 1.00 0.00 N ATOM 0 H GLN A 66 15.647 3.412 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 66 15.798 5.918 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.917 3.089 -8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.186 4.396 -9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.562 4.558 -9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 66 17.321 3.370 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.520 1.577 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.251 0.824 -10.359 1.00 0.00 H new ATOM 1134 N LYS A 67 12.869 4.482 -7.485 1.00 0.00 N ATOM 1135 CA LYS A 67 11.406 4.779 -7.495 1.00 0.00 C ATOM 1136 C LYS A 67 11.086 5.865 -6.465 1.00 0.00 C ATOM 1137 O LYS A 67 10.513 6.886 -6.783 1.00 0.00 O ATOM 1138 CB LYS A 67 10.628 3.506 -7.151 1.00 0.00 C ATOM 1139 CG LYS A 67 10.829 2.470 -8.258 1.00 0.00 C ATOM 1140 CD LYS A 67 10.033 1.206 -7.925 1.00 0.00 C ATOM 1141 CE LYS A 67 10.159 0.205 -9.075 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.568 -1.100 -8.665 1.00 0.00 N ATOM 0 H LYS A 67 13.123 3.559 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 67 11.118 5.131 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.970 3.105 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.568 3.734 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.502 2.877 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.888 2.230 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.404 0.763 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.985 1.456 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.649 0.585 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.207 0.073 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.128 -1.556 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.316 -1.716 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.847 -0.940 -7.932 1.00 0.00 H new ATOM 1156 N TYR A 68 11.463 5.657 -5.233 1.00 0.00 N ATOM 1157 CA TYR A 68 11.191 6.680 -4.179 1.00 0.00 C ATOM 1158 C TYR A 68 11.701 8.042 -4.667 1.00 0.00 C ATOM 1159 O TYR A 68 11.027 9.046 -4.574 1.00 0.00 O ATOM 1160 CB TYR A 68 11.911 6.267 -2.881 1.00 0.00 C ATOM 1161 CG TYR A 68 12.026 7.445 -1.934 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.055 8.377 -2.112 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.110 7.606 -0.889 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.169 9.469 -1.247 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.222 8.699 -0.023 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.252 9.632 -0.202 1.00 0.00 C ATOM 1167 OH TYR A 68 12.364 10.709 0.653 1.00 0.00 O ATOM 0 H TYR A 68 11.949 4.821 -4.908 1.00 0.00 H new ATOM 0 HA TYR A 68 10.121 6.751 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.364 5.458 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.904 5.885 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.762 8.252 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.316 6.887 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.964 10.187 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.515 8.824 0.783 1.00 0.00 H new ATOM 0 HH TYR A 68 11.648 10.672 1.321 1.00 0.00 H new ATOM 1177 N ALA A 69 12.889 8.076 -5.195 1.00 0.00 N ATOM 1178 CA ALA A 69 13.449 9.362 -5.698 1.00 0.00 C ATOM 1179 C ALA A 69 12.419 10.035 -6.611 1.00 0.00 C ATOM 1180 O ALA A 69 12.334 11.244 -6.689 1.00 0.00 O ATOM 1181 CB ALA A 69 14.728 9.070 -6.487 1.00 0.00 C ATOM 0 H ALA A 69 13.501 7.267 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 69 13.678 10.025 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.147 10.005 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.453 8.582 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.496 8.416 -7.327 1.00 0.00 H new ATOM 1187 N GLU A 70 11.634 9.247 -7.299 1.00 0.00 N ATOM 1188 CA GLU A 70 10.596 9.803 -8.213 1.00 0.00 C ATOM 1189 C GLU A 70 9.260 9.920 -7.470 1.00 0.00 C ATOM 1190 O GLU A 70 8.668 10.978 -7.394 1.00 0.00 O ATOM 1191 CB GLU A 70 10.437 8.850 -9.401 1.00 0.00 C ATOM 1192 CG GLU A 70 11.647 8.978 -10.331 1.00 0.00 C ATOM 1193 CD GLU A 70 11.482 8.029 -11.520 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.762 8.382 -12.440 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.077 6.964 -11.489 1.00 0.00 O ATOM 0 H GLU A 70 11.670 8.228 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 70 10.896 10.792 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.346 7.823 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.522 9.082 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.741 10.005 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.562 8.742 -9.788 1.00 0.00 H new ATOM 1202 N TYR A 71 8.771 8.826 -6.944 1.00 0.00 N ATOM 1203 CA TYR A 71 7.460 8.843 -6.227 1.00 0.00 C ATOM 1204 C TYR A 71 7.633 9.320 -4.784 1.00 0.00 C ATOM 1205 O TYR A 71 6.837 10.088 -4.280 1.00 0.00 O ATOM 1206 CB TYR A 71 6.871 7.432 -6.237 1.00 0.00 C ATOM 1207 CG TYR A 71 6.742 6.953 -7.665 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.642 7.350 -8.436 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.717 6.115 -8.221 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.518 6.910 -9.760 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.593 5.674 -9.544 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.492 6.072 -10.313 1.00 0.00 C ATOM 1213 OH TYR A 71 6.370 5.638 -11.618 1.00 0.00 O ATOM 0 H TYR A 71 9.227 7.915 -6.981 1.00 0.00 H new ATOM 0 HA TYR A 71 6.788 9.534 -6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.511 6.755 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.895 7.430 -5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.889 7.996 -8.009 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.566 5.808 -7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.670 7.218 -10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.345 5.028 -9.971 1.00 0.00 H new ATOM 0 HH TYR A 71 7.132 5.065 -11.845 1.00 0.00 H new ATOM 1223 N GLY A 72 8.656 8.868 -4.110 1.00 0.00 N ATOM 1224 CA GLY A 72 8.876 9.286 -2.687 1.00 0.00 C ATOM 1225 C GLY A 72 8.272 8.217 -1.769 1.00 0.00 C ATOM 1226 O GLY A 72 8.227 7.059 -2.134 1.00 0.00 O ATOM 0 H GLY A 72 9.354 8.224 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.941 9.401 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.410 10.254 -2.500 1.00 0.00 H new ATOM 1230 N PRO A 73 7.807 8.569 -0.591 1.00 0.00 N ATOM 1231 CA PRO A 73 7.214 7.568 0.335 1.00 0.00 C ATOM 1232 C PRO A 73 5.784 7.210 -0.076 1.00 0.00 C ATOM 1233 O PRO A 73 4.963 6.845 0.744 1.00 0.00 O ATOM 1234 CB PRO A 73 7.255 8.269 1.700 1.00 0.00 C ATOM 1235 CG PRO A 73 7.138 9.731 1.380 1.00 0.00 C ATOM 1236 CD PRO A 73 7.786 9.928 -0.006 1.00 0.00 C ATOM 0 HA PRO A 73 7.752 6.620 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.438 7.937 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.183 8.052 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.094 10.043 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.643 10.335 2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.209 10.618 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.791 10.341 0.079 1.00 0.00 H new ATOM 1244 N LYS A 74 5.482 7.302 -1.347 1.00 0.00 N ATOM 1245 CA LYS A 74 4.112 6.957 -1.819 1.00 0.00 C ATOM 1246 C LYS A 74 4.045 5.447 -2.041 1.00 0.00 C ATOM 1247 O LYS A 74 3.978 4.973 -3.157 1.00 0.00 O ATOM 1248 CB LYS A 74 3.840 7.685 -3.134 1.00 0.00 C ATOM 1249 CG LYS A 74 3.588 9.170 -2.859 1.00 0.00 C ATOM 1250 CD LYS A 74 3.410 9.913 -4.185 1.00 0.00 C ATOM 1251 CE LYS A 74 3.069 11.378 -3.909 1.00 0.00 C ATOM 1252 NZ LYS A 74 4.233 12.046 -3.262 1.00 0.00 N ATOM 0 H LYS A 74 6.128 7.602 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 74 3.366 7.256 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.689 7.569 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.976 7.246 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.698 9.290 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.423 9.594 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.323 9.847 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.617 9.448 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.816 11.885 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.194 11.443 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.282 13.037 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.122 12.013 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.109 11.555 -3.531 1.00 0.00 H new ATOM 1266 N TRP A 75 4.069 4.695 -0.980 1.00 0.00 N ATOM 1267 CA TRP A 75 4.020 3.215 -1.096 1.00 0.00 C ATOM 1268 C TRP A 75 2.762 2.805 -1.856 1.00 0.00 C ATOM 1269 O TRP A 75 2.550 1.649 -2.161 1.00 0.00 O ATOM 1270 CB TRP A 75 4.025 2.606 0.312 1.00 0.00 C ATOM 1271 CG TRP A 75 4.952 3.390 1.196 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.584 4.000 2.344 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.378 3.674 1.024 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.690 4.610 2.905 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.816 4.447 2.128 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.330 3.337 0.040 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.140 4.868 2.251 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.662 3.763 0.162 1.00 0.00 C ATOM 1279 CH2 TRP A 75 9.066 4.526 1.264 1.00 0.00 C ATOM 0 H TRP A 75 4.121 5.048 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 75 4.889 2.851 -1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 75 3.017 2.614 0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.343 1.564 0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.586 4.009 2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.675 5.120 3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.032 2.747 -0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.447 5.455 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.381 3.500 -0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.093 4.850 1.350 1.00 0.00 H new ATOM 1290 N ASN A 76 1.935 3.752 -2.177 1.00 0.00 N ATOM 1291 CA ASN A 76 0.697 3.442 -2.930 1.00 0.00 C ATOM 1292 C ASN A 76 1.078 3.101 -4.370 1.00 0.00 C ATOM 1293 O ASN A 76 0.500 2.230 -4.988 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.219 4.665 -2.914 1.00 0.00 C ATOM 1295 CG ASN A 76 -0.737 4.892 -1.493 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.798 4.419 -1.138 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -0.027 5.603 -0.660 1.00 0.00 N ATOM 0 H ASN A 76 2.065 4.737 -1.948 1.00 0.00 H new ATOM 0 HA ASN A 76 0.177 2.599 -2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.324 5.545 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.054 4.517 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.363 5.762 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.864 6.000 -0.959 1.00 0.00 H new ATOM 1304 N LYS A 77 2.064 3.777 -4.902 1.00 0.00 N ATOM 1305 CA LYS A 77 2.509 3.496 -6.297 1.00 0.00 C ATOM 1306 C LYS A 77 3.521 2.351 -6.261 1.00 0.00 C ATOM 1307 O LYS A 77 3.532 1.488 -7.116 1.00 0.00 O ATOM 1308 CB LYS A 77 3.170 4.756 -6.883 1.00 0.00 C ATOM 1309 CG LYS A 77 2.096 5.751 -7.348 1.00 0.00 C ATOM 1310 CD LYS A 77 1.113 6.036 -6.206 1.00 0.00 C ATOM 1311 CE LYS A 77 0.267 7.267 -6.547 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.330 7.099 -7.902 1.00 0.00 N ATOM 0 H LYS A 77 2.582 4.516 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 77 1.657 3.219 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.808 5.223 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.811 4.483 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.566 6.679 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.561 5.346 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.467 5.173 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.658 6.204 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.520 7.398 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.884 8.165 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.137 7.747 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.385 7.314 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.656 6.118 -8.019 1.00 0.00 H new ATOM 1326 N ILE A 78 4.375 2.342 -5.276 1.00 0.00 N ATOM 1327 CA ILE A 78 5.388 1.259 -5.180 1.00 0.00 C ATOM 1328 C ILE A 78 4.676 -0.083 -5.003 1.00 0.00 C ATOM 1329 O ILE A 78 4.892 -1.014 -5.749 1.00 0.00 O ATOM 1330 CB ILE A 78 6.303 1.528 -3.976 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.691 3.015 -3.936 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.569 0.673 -4.082 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.214 3.473 -5.301 1.00 0.00 C ATOM 0 H ILE A 78 4.414 3.040 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 78 5.989 1.230 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 78 5.769 1.270 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.826 3.615 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.455 3.177 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.213 0.869 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.295 -0.382 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.101 0.923 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.483 4.528 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.093 2.886 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.439 3.331 -6.054 1.00 0.00 H new ATOM 1345 N SER A 79 3.823 -0.186 -4.020 1.00 0.00 N ATOM 1346 CA SER A 79 3.092 -1.471 -3.798 1.00 0.00 C ATOM 1347 C SER A 79 2.474 -1.966 -5.109 1.00 0.00 C ATOM 1348 O SER A 79 2.253 -3.148 -5.288 1.00 0.00 O ATOM 1349 CB SER A 79 1.981 -1.262 -2.768 1.00 0.00 C ATOM 1350 OG SER A 79 2.526 -0.676 -1.595 1.00 0.00 O ATOM 0 H SER A 79 3.600 0.560 -3.362 1.00 0.00 H new ATOM 0 HA SER A 79 3.800 -2.215 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.204 -0.619 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.511 -2.215 -2.526 1.00 0.00 H new ATOM 0 HG SER A 79 2.246 0.261 -1.537 1.00 0.00 H new ATOM 1356 N LYS A 80 2.188 -1.083 -6.029 1.00 0.00 N ATOM 1357 CA LYS A 80 1.583 -1.525 -7.321 1.00 0.00 C ATOM 1358 C LYS A 80 2.692 -2.051 -8.230 1.00 0.00 C ATOM 1359 O LYS A 80 2.448 -2.801 -9.154 1.00 0.00 O ATOM 1360 CB LYS A 80 0.875 -0.341 -8.001 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.456 -0.039 -7.287 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.317 0.912 -8.133 1.00 0.00 C ATOM 1363 CE LYS A 80 -0.754 2.336 -8.076 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.702 3.269 -8.749 1.00 0.00 N ATOM 0 H LYS A 80 2.346 -0.079 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 80 0.852 -2.311 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.517 0.539 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.690 -0.572 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.998 -0.967 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.259 0.409 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.344 0.566 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.344 0.905 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.603 2.638 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.220 2.374 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.322 4.236 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.825 2.983 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.622 3.239 -8.264 1.00 0.00 H new ATOM 1378 N PHE A 81 3.913 -1.673 -7.967 1.00 0.00 N ATOM 1379 CA PHE A 81 5.044 -2.158 -8.807 1.00 0.00 C ATOM 1380 C PHE A 81 5.482 -3.525 -8.272 1.00 0.00 C ATOM 1381 O PHE A 81 6.213 -4.252 -8.917 1.00 0.00 O ATOM 1382 CB PHE A 81 6.209 -1.147 -8.721 1.00 0.00 C ATOM 1383 CG PHE A 81 6.049 -0.074 -9.786 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.253 -0.400 -11.133 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.700 1.238 -9.431 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.109 0.581 -12.122 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.556 2.217 -10.421 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.760 1.889 -11.766 1.00 0.00 C ATOM 0 H PHE A 81 4.176 -1.048 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 81 4.742 -2.252 -9.850 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.231 -0.689 -7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.160 -1.663 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.522 -1.409 -11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.542 1.493 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.267 0.328 -13.160 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.287 3.226 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.648 2.645 -12.529 1.00 0.00 H new ATOM 1398 N LEU A 82 5.031 -3.874 -7.093 1.00 0.00 N ATOM 1399 CA LEU A 82 5.401 -5.192 -6.483 1.00 0.00 C ATOM 1400 C LEU A 82 4.237 -6.168 -6.665 1.00 0.00 C ATOM 1401 O LEU A 82 4.382 -7.220 -7.256 1.00 0.00 O ATOM 1402 CB LEU A 82 5.681 -5.000 -4.985 1.00 0.00 C ATOM 1403 CG LEU A 82 6.614 -3.798 -4.773 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.755 -3.518 -3.279 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.998 -4.092 -5.369 1.00 0.00 C ATOM 0 H LEU A 82 4.416 -3.297 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 82 6.293 -5.588 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.745 -4.843 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.136 -5.901 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 82 6.188 -2.927 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.417 -2.665 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.775 -3.295 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.174 -4.394 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.651 -3.233 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.426 -4.967 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.901 -4.284 -6.437 1.00 0.00 H new ATOM 1417 N LYS A 83 3.083 -5.830 -6.155 1.00 0.00 N ATOM 1418 CA LYS A 83 1.909 -6.732 -6.287 1.00 0.00 C ATOM 1419 C LYS A 83 2.150 -7.943 -5.393 1.00 0.00 C ATOM 1420 O LYS A 83 1.439 -8.928 -5.451 1.00 0.00 O ATOM 1421 CB LYS A 83 1.748 -7.153 -7.772 1.00 0.00 C ATOM 1422 CG LYS A 83 0.255 -7.187 -8.175 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.265 -5.756 -8.465 1.00 0.00 C ATOM 1424 CE LYS A 83 0.039 -5.351 -9.917 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.973 -5.963 -10.824 1.00 0.00 N ATOM 0 H LYS A 83 2.905 -4.962 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 83 0.990 -6.232 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.286 -6.455 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.193 -8.136 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.125 -7.813 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.333 -7.638 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.339 -5.711 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.201 -5.048 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.022 -4.266 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.040 -5.680 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.581 -6.032 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.217 -6.914 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.828 -5.371 -10.841 1.00 0.00 H new ATOM 1439 N ASN A 84 3.161 -7.861 -4.563 1.00 0.00 N ATOM 1440 CA ASN A 84 3.496 -8.982 -3.636 1.00 0.00 C ATOM 1441 C ASN A 84 3.585 -8.447 -2.205 1.00 0.00 C ATOM 1442 O ASN A 84 3.617 -9.203 -1.255 1.00 0.00 O ATOM 1443 CB ASN A 84 4.843 -9.584 -4.039 1.00 0.00 C ATOM 1444 CG ASN A 84 4.714 -10.252 -5.409 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.000 -11.424 -5.555 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.292 -9.552 -6.426 1.00 0.00 N ATOM 0 H ASN A 84 3.777 -7.051 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 84 2.722 -9.748 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.606 -8.806 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.164 -10.314 -3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.202 -9.989 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.052 -8.568 -6.304 1.00 0.00 H new ATOM 1453 N ARG A 85 3.626 -7.143 -2.046 1.00 0.00 N ATOM 1454 CA ARG A 85 3.712 -6.536 -0.675 1.00 0.00 C ATOM 1455 C ARG A 85 2.664 -5.435 -0.539 1.00 0.00 C ATOM 1456 O ARG A 85 2.021 -5.047 -1.496 1.00 0.00 O ATOM 1457 CB ARG A 85 5.122 -5.957 -0.459 1.00 0.00 C ATOM 1458 CG ARG A 85 6.161 -7.099 -0.203 1.00 0.00 C ATOM 1459 CD ARG A 85 7.139 -7.224 -1.382 1.00 0.00 C ATOM 1460 NE ARG A 85 8.203 -8.215 -1.045 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.968 -9.495 -1.157 1.00 0.00 C ATOM 1462 NH1 ARG A 85 6.802 -9.911 -1.571 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.899 -10.358 -0.856 1.00 0.00 N ATOM 0 H ARG A 85 3.603 -6.469 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 85 3.522 -7.300 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.420 -5.378 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.112 -5.272 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.714 -6.894 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.639 -8.045 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.605 -7.539 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.587 -6.255 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 85 9.116 -7.892 -0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.074 -9.236 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.619 -10.911 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.810 -10.033 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.715 -11.358 -0.943 1.00 0.00 H new ATOM 1477 N SER A 86 2.484 -4.945 0.661 1.00 0.00 N ATOM 1478 CA SER A 86 1.481 -3.882 0.934 1.00 0.00 C ATOM 1479 C SER A 86 2.203 -2.659 1.465 1.00 0.00 C ATOM 1480 O SER A 86 3.325 -2.732 1.918 1.00 0.00 O ATOM 1481 CB SER A 86 0.505 -4.382 1.999 1.00 0.00 C ATOM 1482 OG SER A 86 -0.074 -3.270 2.669 1.00 0.00 O ATOM 0 H SER A 86 3.007 -5.249 1.482 1.00 0.00 H new ATOM 0 HA SER A 86 0.939 -3.633 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.274 -4.989 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.025 -5.020 2.713 1.00 0.00 H new ATOM 0 HG SER A 86 -0.578 -2.727 2.027 1.00 0.00 H new ATOM 1488 N ASP A 87 1.568 -1.539 1.421 1.00 0.00 N ATOM 1489 CA ASP A 87 2.216 -0.305 1.923 1.00 0.00 C ATOM 1490 C ASP A 87 2.595 -0.507 3.387 1.00 0.00 C ATOM 1491 O ASP A 87 3.611 -0.033 3.851 1.00 0.00 O ATOM 1492 CB ASP A 87 1.250 0.875 1.786 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.132 0.464 2.298 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.642 -0.540 1.831 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.656 1.163 3.151 1.00 0.00 O ATOM 0 H ASP A 87 0.622 -1.418 1.058 1.00 0.00 H new ATOM 0 HA ASP A 87 3.113 -0.092 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.620 1.730 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.186 1.187 0.744 1.00 0.00 H new ATOM 1500 N ASN A 88 1.786 -1.220 4.111 1.00 0.00 N ATOM 1501 CA ASN A 88 2.098 -1.471 5.542 1.00 0.00 C ATOM 1502 C ASN A 88 3.401 -2.270 5.630 1.00 0.00 C ATOM 1503 O ASN A 88 4.141 -2.164 6.586 1.00 0.00 O ATOM 1504 CB ASN A 88 0.962 -2.274 6.182 1.00 0.00 C ATOM 1505 CG ASN A 88 1.256 -2.481 7.668 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.356 -3.601 8.129 1.00 0.00 O ATOM 1507 ND2 ASN A 88 1.400 -1.441 8.444 1.00 0.00 N ATOM 0 H ASN A 88 0.920 -1.641 3.774 1.00 0.00 H new ATOM 0 HA ASN A 88 2.207 -0.523 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.016 -1.747 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.858 -3.238 5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.596 -1.569 9.437 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.316 -0.501 8.058 1.00 0.00 H new ATOM 1514 N ASN A 89 3.688 -3.063 4.631 1.00 0.00 N ATOM 1515 CA ASN A 89 4.941 -3.865 4.641 1.00 0.00 C ATOM 1516 C ASN A 89 6.093 -2.994 4.142 1.00 0.00 C ATOM 1517 O ASN A 89 7.202 -3.055 4.635 1.00 0.00 O ATOM 1518 CB ASN A 89 4.761 -5.057 3.701 1.00 0.00 C ATOM 1519 CG ASN A 89 5.908 -6.048 3.899 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.708 -5.897 4.801 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.025 -7.062 3.088 1.00 0.00 N ATOM 0 H ASN A 89 3.103 -3.188 3.805 1.00 0.00 H new ATOM 0 HA ASN A 89 5.160 -4.215 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.807 -5.546 3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.737 -4.716 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.788 -7.728 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.354 -7.189 2.331 1.00 0.00 H new ATOM 1528 N ILE A 90 5.824 -2.191 3.155 1.00 0.00 N ATOM 1529 CA ILE A 90 6.873 -1.304 2.585 1.00 0.00 C ATOM 1530 C ILE A 90 7.141 -0.157 3.551 1.00 0.00 C ATOM 1531 O ILE A 90 8.256 0.072 3.977 1.00 0.00 O ATOM 1532 CB ILE A 90 6.362 -0.748 1.256 1.00 0.00 C ATOM 1533 CG1 ILE A 90 6.010 -1.915 0.326 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.437 0.117 0.599 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.278 -1.418 -0.928 1.00 0.00 C ATOM 0 H ILE A 90 4.909 -2.110 2.712 1.00 0.00 H new ATOM 0 HA ILE A 90 7.797 -1.861 2.427 1.00 0.00 H new ATOM 0 HB ILE A 90 5.478 -0.137 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.920 -2.441 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.383 -2.632 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.062 0.508 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.690 0.946 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.327 -0.485 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.040 -2.266 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.357 -0.914 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.917 -0.720 -1.470 1.00 0.00 H new ATOM 1547 N ARG A 91 6.115 0.558 3.909 1.00 0.00 N ATOM 1548 CA ARG A 91 6.278 1.690 4.860 1.00 0.00 C ATOM 1549 C ARG A 91 6.976 1.180 6.118 1.00 0.00 C ATOM 1550 O ARG A 91 7.715 1.887 6.773 1.00 0.00 O ATOM 1551 CB ARG A 91 4.892 2.221 5.240 1.00 0.00 C ATOM 1552 CG ARG A 91 5.030 3.538 6.017 1.00 0.00 C ATOM 1553 CD ARG A 91 3.697 3.876 6.689 1.00 0.00 C ATOM 1554 NE ARG A 91 3.744 5.270 7.214 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.755 5.733 7.930 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.725 4.975 8.187 1.00 0.00 N ATOM 1557 NH2 ARG A 91 2.799 6.954 8.389 1.00 0.00 N ATOM 0 H ARG A 91 5.161 0.406 3.581 1.00 0.00 H new ATOM 0 HA ARG A 91 6.868 2.483 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.295 2.380 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.365 1.485 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.816 3.449 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.323 4.342 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.881 3.773 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.500 3.177 7.501 1.00 0.00 H new ATOM 0 HE ARG A 91 4.549 5.863 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.692 4.021 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.953 5.337 8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.605 7.546 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.027 7.317 8.948 1.00 0.00 H new ATOM 1571 N ASN A 92 6.715 -0.047 6.464 1.00 0.00 N ATOM 1572 CA ASN A 92 7.322 -0.638 7.692 1.00 0.00 C ATOM 1573 C ASN A 92 8.727 -1.170 7.402 1.00 0.00 C ATOM 1574 O ASN A 92 9.629 -1.006 8.199 1.00 0.00 O ATOM 1575 CB ASN A 92 6.441 -1.789 8.184 1.00 0.00 C ATOM 1576 CG ASN A 92 7.060 -2.409 9.438 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.814 -3.357 9.351 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.771 -1.910 10.609 1.00 0.00 N ATOM 0 H ASN A 92 6.101 -0.674 5.945 1.00 0.00 H new ATOM 0 HA ASN A 92 7.393 0.138 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.438 -1.424 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.342 -2.544 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.179 -2.316 11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.138 -1.114 10.682 1.00 0.00 H new ATOM 1585 N ARG A 93 8.931 -1.827 6.289 1.00 0.00 N ATOM 1586 CA ARG A 93 10.292 -2.374 6.007 1.00 0.00 C ATOM 1587 C ARG A 93 11.243 -1.248 5.598 1.00 0.00 C ATOM 1588 O ARG A 93 12.416 -1.271 5.916 1.00 0.00 O ATOM 1589 CB ARG A 93 10.215 -3.420 4.892 1.00 0.00 C ATOM 1590 CG ARG A 93 11.575 -4.130 4.758 1.00 0.00 C ATOM 1591 CD ARG A 93 11.422 -5.408 3.930 1.00 0.00 C ATOM 1592 NE ARG A 93 12.675 -6.209 4.021 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.761 -5.795 3.426 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.751 -4.681 2.749 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.857 -6.499 3.509 1.00 0.00 N ATOM 0 H ARG A 93 8.227 -2.006 5.574 1.00 0.00 H new ATOM 0 HA ARG A 93 10.673 -2.845 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.434 -4.147 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.948 -2.943 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.296 -3.464 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.966 -4.372 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.577 -5.992 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.212 -5.158 2.890 1.00 0.00 H new ATOM 0 HE ARG A 93 12.684 -7.082 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.894 -4.132 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.600 -4.359 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.864 -7.371 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.706 -6.177 3.045 1.00 0.00 H new ATOM 1609 N TRP A 94 10.755 -0.261 4.903 1.00 0.00 N ATOM 1610 CA TRP A 94 11.637 0.862 4.487 1.00 0.00 C ATOM 1611 C TRP A 94 11.994 1.692 5.718 1.00 0.00 C ATOM 1612 O TRP A 94 13.142 1.996 5.958 1.00 0.00 O ATOM 1613 CB TRP A 94 10.906 1.742 3.471 1.00 0.00 C ATOM 1614 CG TRP A 94 11.828 2.821 2.998 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.895 2.631 2.188 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.786 4.247 3.291 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.510 3.849 1.964 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.864 4.876 2.624 1.00 0.00 C ATOM 1619 CE3 TRP A 94 10.927 5.048 4.064 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.081 6.251 2.720 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.142 6.432 4.163 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.217 7.033 3.492 1.00 0.00 C ATOM 0 H TRP A 94 9.783 -0.183 4.605 1.00 0.00 H new ATOM 0 HA TRP A 94 12.544 0.468 4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.569 1.140 2.627 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.017 2.180 3.925 1.00 0.00 H new ATOM 0 HD1 TRP A 94 13.214 1.682 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.339 3.974 1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.096 4.596 4.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.911 6.708 2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.476 7.037 4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.377 8.098 3.572 1.00 0.00 H new ATOM 1633 N MET A 95 11.019 2.057 6.503 1.00 0.00 N ATOM 1634 CA MET A 95 11.308 2.864 7.720 1.00 0.00 C ATOM 1635 C MET A 95 12.125 2.024 8.704 1.00 0.00 C ATOM 1636 O MET A 95 12.716 2.541 9.631 1.00 0.00 O ATOM 1637 CB MET A 95 9.990 3.283 8.380 1.00 0.00 C ATOM 1638 CG MET A 95 9.292 4.334 7.513 1.00 0.00 C ATOM 1639 SD MET A 95 7.819 4.944 8.372 1.00 0.00 S ATOM 1640 CE MET A 95 8.625 6.263 9.315 1.00 0.00 C ATOM 0 H MET A 95 10.035 1.831 6.354 1.00 0.00 H new ATOM 0 HA MET A 95 11.874 3.753 7.441 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.344 2.415 8.508 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.182 3.686 9.374 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.973 5.160 7.305 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.013 3.901 6.552 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.884 6.779 9.926 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.391 5.833 9.960 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.086 6.972 8.628 1.00 0.00 H new ATOM 1650 N MET A 96 12.171 0.732 8.509 1.00 0.00 N ATOM 1651 CA MET A 96 12.956 -0.137 9.427 1.00 0.00 C ATOM 1652 C MET A 96 14.425 -0.079 9.026 1.00 0.00 C ATOM 1653 O MET A 96 15.296 0.143 9.843 1.00 0.00 O ATOM 1654 CB MET A 96 12.453 -1.579 9.322 1.00 0.00 C ATOM 1655 CG MET A 96 13.300 -2.489 10.217 1.00 0.00 C ATOM 1656 SD MET A 96 12.503 -4.107 10.358 1.00 0.00 S ATOM 1657 CE MET A 96 13.759 -4.888 11.401 1.00 0.00 C ATOM 0 H MET A 96 11.696 0.242 7.750 1.00 0.00 H new ATOM 0 HA MET A 96 12.839 0.209 10.454 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.406 -1.632 9.621 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.507 -1.918 8.288 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.300 -2.600 9.798 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.415 -2.041 11.204 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.465 -5.915 11.617 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.717 -4.886 10.881 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.852 -4.334 12.335 1.00 0.00 H new ATOM 1667 N ILE A 97 14.709 -0.281 7.764 1.00 0.00 N ATOM 1668 CA ILE A 97 16.124 -0.242 7.301 1.00 0.00 C ATOM 1669 C ILE A 97 16.529 1.203 7.012 1.00 0.00 C ATOM 1670 O ILE A 97 17.682 1.569 7.129 1.00 0.00 O ATOM 1671 CB ILE A 97 16.284 -1.100 6.037 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.496 -0.479 4.869 1.00 0.00 C ATOM 1673 CG2 ILE A 97 15.760 -2.514 6.318 1.00 0.00 C ATOM 1674 CD1 ILE A 97 15.537 -1.411 3.651 1.00 0.00 C ATOM 0 H ILE A 97 14.020 -0.471 7.036 1.00 0.00 H new ATOM 0 HA ILE A 97 16.771 -0.644 8.081 1.00 0.00 H new ATOM 0 HB ILE A 97 17.338 -1.144 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.463 -0.305 5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 97 15.920 0.491 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.871 -3.128 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.329 -2.957 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 97 14.707 -2.463 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.977 -0.962 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 97 16.572 -1.563 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.092 -2.371 3.912 1.00 0.00 H new ATOM 1686 N ALA A 98 15.593 2.031 6.634 1.00 0.00 N ATOM 1687 CA ALA A 98 15.940 3.447 6.340 1.00 0.00 C ATOM 1688 C ALA A 98 16.278 4.153 7.649 1.00 0.00 C ATOM 1689 O ALA A 98 16.879 5.209 7.661 1.00 0.00 O ATOM 1690 CB ALA A 98 14.755 4.149 5.671 1.00 0.00 C ATOM 0 H ALA A 98 14.609 1.788 6.517 1.00 0.00 H new ATOM 0 HA ALA A 98 16.796 3.480 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.018 5.185 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.509 3.640 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.893 4.122 6.337 1.00 0.00 H new ATOM 1696 N ARG A 99 15.901 3.573 8.754 1.00 0.00 N ATOM 1697 CA ARG A 99 16.203 4.202 10.063 1.00 0.00 C ATOM 1698 C ARG A 99 17.692 4.043 10.348 1.00 0.00 C ATOM 1699 O ARG A 99 18.267 4.766 11.137 1.00 0.00 O ATOM 1700 CB ARG A 99 15.391 3.518 11.166 1.00 0.00 C ATOM 1701 CG ARG A 99 15.744 4.134 12.522 1.00 0.00 C ATOM 1702 CD ARG A 99 14.753 3.647 13.581 1.00 0.00 C ATOM 1703 NE ARG A 99 15.162 4.158 14.919 1.00 0.00 N ATOM 1704 CZ ARG A 99 14.440 3.887 15.972 1.00 0.00 C ATOM 1705 NH1 ARG A 99 13.358 3.167 15.854 1.00 0.00 N ATOM 1706 NH2 ARG A 99 14.801 4.335 17.143 1.00 0.00 N ATOM 0 H ARG A 99 15.396 2.688 8.804 1.00 0.00 H new ATOM 0 HA ARG A 99 15.940 5.259 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.325 3.632 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.601 2.448 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.759 3.857 12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.717 5.222 12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.748 3.993 13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.721 2.558 13.591 1.00 0.00 H new ATOM 0 HE ARG A 99 16.008 4.721 15.012 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.076 2.816 14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.794 2.955 16.677 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.647 4.897 17.235 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.237 4.123 17.966 1.00 0.00 H new