USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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: B 24 GLN : amide:sc= 0 K(o=-0.27,f=-2.8) USER MOD Set 1.2: B 28 LYS NZ :NH3+ 175:sc= -0.27 (180deg=-0.337) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.259 X(o=-3.5,f=-3.3) USER MOD Set 2.2: A 39 MET CE :methyl -178:sc= -1.68 (180deg=-1.55) USER MOD Set 2.3: B 34 HIS : no HD1:sc= -0.048 X(o=-3.5,f=-3.3) USER MOD Set 2.4: B 39 MET CE :methyl -176:sc= -1.47 (180deg=-1.12) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -150:sc= 0 (180deg=-0.392) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.04) USER MOD Single : A 21 TYR OH : rot -58:sc= 1.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00289 X(o=-0.0029,f=-0.0029) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00401) USER MOD Single : A 35 ASN : amide:sc=-0.00861 K(o=-0.0086,f=-0.79) USER MOD Single : A 36 ASN : amide:sc= -0.555 K(o=-0.56,f=-9.8!) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.22) USER MOD Single : A 42 ASN : amide:sc= -0.0764 K(o=-0.076,f=-1.6!) USER MOD Single : A 48 SER OG : rot 158:sc= 1.25 USER MOD Single : B 10 SER OG : rot -93:sc= 0.13 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.015) USER MOD Single : B 21 TYR OH : rot -164:sc= 1.32 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 36 ASN : amide:sc= -0.508 K(o=-0.51,f=-8.7!) USER MOD Single : B 41 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.18) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : B 48 SER OG : rot 149:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -17.226 6.931 1.479 1.00 0.00 N ATOM 84 CA LEU A 9 -16.098 6.010 1.559 1.00 0.00 C ATOM 85 C LEU A 9 -16.479 4.756 2.351 1.00 0.00 C ATOM 86 O LEU A 9 -15.971 3.673 2.068 1.00 0.00 O ATOM 87 CB LEU A 9 -14.912 6.795 2.136 1.00 0.00 C ATOM 88 CG LEU A 9 -13.564 6.075 2.172 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.448 7.125 2.153 1.00 0.00 C ATOM 90 CD2 LEU A 9 -13.374 5.209 3.417 1.00 0.00 C ATOM 0 HA LEU A 9 -15.806 5.631 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.794 7.709 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.165 7.095 3.153 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.531 5.417 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.479 6.627 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.525 7.722 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.545 7.775 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.397 4.727 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.436 5.834 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.153 4.448 3.453 1.00 0.00 H new ATOM 102 N SER A 10 -17.400 4.874 3.311 1.00 0.00 N ATOM 103 CA SER A 10 -17.876 3.761 4.117 1.00 0.00 C ATOM 104 C SER A 10 -18.392 2.624 3.226 1.00 0.00 C ATOM 105 O SER A 10 -18.133 1.452 3.505 1.00 0.00 O ATOM 106 CB SER A 10 -18.985 4.239 5.068 1.00 0.00 C ATOM 107 OG SER A 10 -19.812 5.242 4.490 1.00 0.00 O ATOM 0 H SER A 10 -17.839 5.763 3.549 1.00 0.00 H new ATOM 0 HA SER A 10 -17.042 3.379 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.602 3.388 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.532 4.629 5.980 1.00 0.00 H new ATOM 0 HG SER A 10 -20.501 5.509 5.134 1.00 0.00 H new ATOM 113 N SER A 11 -19.099 2.974 2.152 1.00 0.00 N ATOM 114 CA SER A 11 -19.678 2.056 1.186 1.00 0.00 C ATOM 115 C SER A 11 -18.628 1.447 0.245 1.00 0.00 C ATOM 116 O SER A 11 -18.962 0.583 -0.565 1.00 0.00 O ATOM 117 CB SER A 11 -20.785 2.802 0.436 1.00 0.00 C ATOM 118 OG SER A 11 -21.698 3.350 1.381 1.00 0.00 O ATOM 0 H SER A 11 -19.289 3.950 1.926 1.00 0.00 H new ATOM 0 HA SER A 11 -20.105 1.198 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.356 3.595 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.305 2.123 -0.240 1.00 0.00 H new ATOM 0 HG SER A 11 -22.409 3.831 0.908 1.00 0.00 H new ATOM 124 N GLU A 12 -17.369 1.886 0.311 1.00 0.00 N ATOM 125 CA GLU A 12 -16.276 1.360 -0.498 1.00 0.00 C ATOM 126 C GLU A 12 -15.512 0.347 0.359 1.00 0.00 C ATOM 127 O GLU A 12 -15.025 -0.647 -0.179 1.00 0.00 O ATOM 128 CB GLU A 12 -15.384 2.484 -1.041 1.00 0.00 C ATOM 129 CG GLU A 12 -16.129 3.412 -2.009 1.00 0.00 C ATOM 130 CD GLU A 12 -16.727 2.660 -3.212 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.050 1.790 -3.809 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.886 2.933 -3.593 1.00 0.00 O ATOM 0 H GLU A 12 -17.079 2.633 0.943 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.662 0.857 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.996 3.070 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.525 2.047 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.928 3.924 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.444 4.179 -2.370 1.00 0.00 H new ATOM 139 N ILE A 13 -15.452 0.547 1.685 1.00 0.00 N ATOM 140 CA ILE A 13 -14.791 -0.376 2.610 1.00 0.00 C ATOM 141 C ILE A 13 -15.548 -1.700 2.481 1.00 0.00 C ATOM 142 O ILE A 13 -14.941 -2.751 2.287 1.00 0.00 O ATOM 143 CB ILE A 13 -14.821 0.157 4.067 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.009 1.462 4.185 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.285 -0.888 5.071 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.195 2.199 5.514 1.00 0.00 C ATOM 0 H ILE A 13 -15.864 1.359 2.144 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.735 -0.495 2.366 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.863 0.359 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.952 1.232 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.293 2.128 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.323 -0.476 6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -14.899 -1.787 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.254 -1.139 4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.590 3.105 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.245 2.464 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.883 1.553 6.335 1.00 0.00 H new ATOM 158 N GLU A 14 -16.883 -1.642 2.536 1.00 0.00 N ATOM 159 CA GLU A 14 -17.740 -2.812 2.416 1.00 0.00 C ATOM 160 C GLU A 14 -17.531 -3.506 1.067 1.00 0.00 C ATOM 161 O GLU A 14 -17.713 -4.718 0.974 1.00 0.00 O ATOM 162 CB GLU A 14 -19.211 -2.405 2.565 1.00 0.00 C ATOM 163 CG GLU A 14 -19.531 -1.853 3.963 1.00 0.00 C ATOM 164 CD GLU A 14 -21.034 -1.611 4.132 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.700 -1.121 3.192 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.586 -1.947 5.202 1.00 0.00 O ATOM 0 H GLU A 14 -17.397 -0.771 2.666 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.475 -3.510 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.453 -1.651 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.845 -3.268 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.185 -2.555 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.990 -0.920 4.121 1.00 0.00 H new ATOM 173 N ARG A 15 -17.189 -2.770 0.000 1.00 0.00 N ATOM 174 CA ARG A 15 -16.967 -3.398 -1.302 1.00 0.00 C ATOM 175 C ARG A 15 -15.607 -4.076 -1.319 1.00 0.00 C ATOM 176 O ARG A 15 -15.446 -5.109 -1.964 1.00 0.00 O ATOM 177 CB ARG A 15 -17.123 -2.379 -2.435 1.00 0.00 C ATOM 178 CG ARG A 15 -18.614 -2.159 -2.718 1.00 0.00 C ATOM 179 CD ARG A 15 -18.801 -1.254 -3.931 1.00 0.00 C ATOM 180 NE ARG A 15 -20.127 -1.446 -4.531 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.417 -1.361 -5.830 1.00 0.00 C ATOM 182 NH1 ARG A 15 -19.515 -0.881 -6.685 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.600 -1.778 -6.261 1.00 0.00 N ATOM 0 H ARG A 15 -17.063 -1.758 0.014 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.725 -4.164 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.651 -1.436 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.620 -2.737 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.102 -3.118 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.093 -1.713 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.680 -0.212 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.029 -1.467 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.896 -1.664 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.602 -0.578 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.738 -0.816 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.278 -2.159 -5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.832 -1.717 -7.252 1.00 0.00 H new ATOM 197 N LEU A 16 -14.618 -3.520 -0.619 1.00 0.00 N ATOM 198 CA LEU A 16 -13.293 -4.115 -0.553 1.00 0.00 C ATOM 199 C LEU A 16 -13.377 -5.406 0.267 1.00 0.00 C ATOM 200 O LEU A 16 -12.674 -6.362 -0.056 1.00 0.00 O ATOM 201 CB LEU A 16 -12.276 -3.090 -0.027 1.00 0.00 C ATOM 202 CG LEU A 16 -11.895 -2.087 -1.139 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.323 -0.801 -0.543 1.00 0.00 C ATOM 204 CD2 LEU A 16 -10.891 -2.700 -2.129 1.00 0.00 C ATOM 0 H LEU A 16 -14.715 -2.654 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.931 -4.393 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.697 -2.555 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.383 -3.604 0.329 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.808 -1.846 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.063 -0.112 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.067 -0.338 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.431 -1.035 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.645 -1.968 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.984 -2.986 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.332 -3.581 -2.595 1.00 0.00 H new ATOM 216 N MET A 17 -14.269 -5.489 1.265 1.00 0.00 N ATOM 217 CA MET A 17 -14.434 -6.705 2.068 1.00 0.00 C ATOM 218 C MET A 17 -14.851 -7.874 1.171 1.00 0.00 C ATOM 219 O MET A 17 -14.433 -9.008 1.416 1.00 0.00 O ATOM 220 CB MET A 17 -15.494 -6.529 3.159 1.00 0.00 C ATOM 221 CG MET A 17 -15.083 -5.615 4.306 1.00 0.00 C ATOM 222 SD MET A 17 -16.241 -5.709 5.699 1.00 0.00 S ATOM 223 CE MET A 17 -15.741 -4.266 6.669 1.00 0.00 C ATOM 0 H MET A 17 -14.888 -4.724 1.534 1.00 0.00 H new ATOM 0 HA MET A 17 -13.474 -6.909 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 17 -16.401 -6.132 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.743 -7.509 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.084 -5.887 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.029 -4.587 3.948 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.933 -4.454 7.725 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.677 -4.079 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.311 -3.395 6.346 1.00 0.00 H new ATOM 233 N SER A 18 -15.620 -7.604 0.110 1.00 0.00 N ATOM 234 CA SER A 18 -16.093 -8.594 -0.853 1.00 0.00 C ATOM 235 C SER A 18 -14.928 -9.318 -1.539 1.00 0.00 C ATOM 236 O SER A 18 -15.091 -10.456 -1.986 1.00 0.00 O ATOM 237 CB SER A 18 -16.965 -7.908 -1.911 1.00 0.00 C ATOM 238 OG SER A 18 -17.947 -7.081 -1.312 1.00 0.00 O ATOM 0 H SER A 18 -15.938 -6.659 -0.105 1.00 0.00 H new ATOM 0 HA SER A 18 -16.678 -9.336 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.337 -7.310 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.450 -8.662 -2.530 1.00 0.00 H new ATOM 0 HG SER A 18 -18.487 -6.655 -2.011 1.00 0.00 H new ATOM 244 N GLN A 19 -13.755 -8.682 -1.641 1.00 0.00 N ATOM 245 CA GLN A 19 -12.573 -9.277 -2.256 1.00 0.00 C ATOM 246 C GLN A 19 -11.885 -10.263 -1.300 1.00 0.00 C ATOM 247 O GLN A 19 -10.988 -10.994 -1.713 1.00 0.00 O ATOM 248 CB GLN A 19 -11.594 -8.174 -2.684 1.00 0.00 C ATOM 249 CG GLN A 19 -12.169 -7.145 -3.678 1.00 0.00 C ATOM 250 CD GLN A 19 -12.763 -7.784 -4.933 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.843 -7.402 -5.387 1.00 0.00 O ATOM 252 NE2 GLN A 19 -12.091 -8.757 -5.526 1.00 0.00 N ATOM 0 H GLN A 19 -13.603 -7.734 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.890 -9.835 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.253 -7.646 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.717 -8.641 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.940 -6.558 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.380 -6.452 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.198 -9.067 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.466 -9.197 -6.366 1.00 0.00 H new ATOM 261 N GLY A 20 -12.298 -10.306 -0.031 1.00 0.00 N ATOM 262 CA GLY A 20 -11.764 -11.186 0.997 1.00 0.00 C ATOM 263 C GLY A 20 -10.824 -10.486 1.967 1.00 0.00 C ATOM 264 O GLY A 20 -10.269 -11.162 2.835 1.00 0.00 O ATOM 0 H GLY A 20 -13.043 -9.703 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.592 -11.622 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.233 -12.009 0.519 1.00 0.00 H new ATOM 268 N TYR A 21 -10.626 -9.175 1.827 1.00 0.00 N ATOM 269 CA TYR A 21 -9.760 -8.386 2.688 1.00 0.00 C ATOM 270 C TYR A 21 -10.467 -8.133 4.018 1.00 0.00 C ATOM 271 O TYR A 21 -11.643 -7.763 4.033 1.00 0.00 O ATOM 272 CB TYR A 21 -9.434 -7.050 2.002 1.00 0.00 C ATOM 273 CG TYR A 21 -8.931 -7.154 0.573 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.009 -8.153 0.210 1.00 0.00 C ATOM 275 CD2 TYR A 21 -9.413 -6.265 -0.407 1.00 0.00 C ATOM 276 CE1 TYR A 21 -7.595 -8.283 -1.123 1.00 0.00 C ATOM 277 CE2 TYR A 21 -8.982 -6.372 -1.741 1.00 0.00 C ATOM 278 CZ TYR A 21 -8.073 -7.389 -2.104 1.00 0.00 C ATOM 279 OH TYR A 21 -7.662 -7.497 -3.394 1.00 0.00 O ATOM 0 H TYR A 21 -11.075 -8.625 1.095 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.831 -8.926 2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.330 -6.430 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.682 -6.530 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.618 -8.823 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.119 -5.495 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.908 -9.069 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.345 -5.679 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.686 -7.415 -3.434 1.00 0.00 H new ATOM 289 N SER A 22 -9.773 -8.358 5.132 1.00 0.00 N ATOM 290 CA SER A 22 -10.329 -8.130 6.457 1.00 0.00 C ATOM 291 C SER A 22 -10.341 -6.624 6.723 1.00 0.00 C ATOM 292 O SER A 22 -9.519 -5.897 6.162 1.00 0.00 O ATOM 293 CB SER A 22 -9.459 -8.852 7.489 1.00 0.00 C ATOM 294 OG SER A 22 -9.552 -10.251 7.298 1.00 0.00 O ATOM 0 H SER A 22 -8.813 -8.702 5.138 1.00 0.00 H new ATOM 0 HA SER A 22 -11.347 -8.515 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.422 -8.531 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.782 -8.591 8.497 1.00 0.00 H new ATOM 0 HG SER A 22 -8.992 -10.709 7.959 1.00 0.00 H new ATOM 300 N TYR A 23 -11.188 -6.159 7.648 1.00 0.00 N ATOM 301 CA TYR A 23 -11.290 -4.743 7.996 1.00 0.00 C ATOM 302 C TYR A 23 -9.920 -4.140 8.315 1.00 0.00 C ATOM 303 O TYR A 23 -9.651 -3.023 7.886 1.00 0.00 O ATOM 304 CB TYR A 23 -12.272 -4.548 9.157 1.00 0.00 C ATOM 305 CG TYR A 23 -12.539 -3.099 9.524 1.00 0.00 C ATOM 306 CD1 TYR A 23 -13.231 -2.265 8.625 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.127 -2.587 10.771 1.00 0.00 C ATOM 308 CE1 TYR A 23 -13.540 -0.943 8.981 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.435 -1.263 11.135 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.152 -0.439 10.239 1.00 0.00 C ATOM 311 OH TYR A 23 -13.500 0.832 10.577 1.00 0.00 O ATOM 0 H TYR A 23 -11.822 -6.758 8.176 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.677 -4.209 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -13.218 -5.024 8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.884 -5.066 10.034 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.525 -2.644 7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -11.571 -3.215 11.452 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.076 -0.310 8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.125 -0.878 12.095 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.163 1.036 11.474 1.00 0.00 H new ATOM 321 N GLN A 24 -9.047 -4.876 9.015 1.00 0.00 N ATOM 322 CA GLN A 24 -7.705 -4.415 9.366 1.00 0.00 C ATOM 323 C GLN A 24 -6.902 -4.053 8.115 1.00 0.00 C ATOM 324 O GLN A 24 -6.277 -2.998 8.074 1.00 0.00 O ATOM 325 CB GLN A 24 -6.938 -5.503 10.135 1.00 0.00 C ATOM 326 CG GLN A 24 -7.591 -5.867 11.468 1.00 0.00 C ATOM 327 CD GLN A 24 -6.724 -6.833 12.274 1.00 0.00 C ATOM 328 OE1 GLN A 24 -6.412 -7.922 11.804 1.00 0.00 O ATOM 329 NE2 GLN A 24 -6.324 -6.478 13.486 1.00 0.00 N ATOM 0 H GLN A 24 -9.257 -5.815 9.354 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.824 -3.531 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.868 -6.397 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.919 -5.161 10.317 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.763 -4.961 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.566 -6.319 11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.590 -5.569 13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.750 -7.113 14.040 1.00 0.00 H new ATOM 338 N ASP A 25 -6.905 -4.940 7.121 1.00 0.00 N ATOM 339 CA ASP A 25 -6.196 -4.794 5.854 1.00 0.00 C ATOM 340 C ASP A 25 -6.711 -3.570 5.105 1.00 0.00 C ATOM 341 O ASP A 25 -5.955 -2.705 4.670 1.00 0.00 O ATOM 342 CB ASP A 25 -6.396 -6.076 5.028 1.00 0.00 C ATOM 343 CG ASP A 25 -5.257 -6.317 4.045 1.00 0.00 C ATOM 344 OD1 ASP A 25 -4.096 -6.346 4.518 1.00 0.00 O ATOM 345 OD2 ASP A 25 -5.506 -6.531 2.839 1.00 0.00 O ATOM 0 H ASP A 25 -7.424 -5.816 7.181 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.131 -4.648 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.478 -6.929 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.336 -6.010 4.481 1.00 0.00 H new ATOM 350 N ILE A 26 -8.034 -3.452 5.001 1.00 0.00 N ATOM 351 CA ILE A 26 -8.676 -2.345 4.313 1.00 0.00 C ATOM 352 C ILE A 26 -8.300 -1.024 5.013 1.00 0.00 C ATOM 353 O ILE A 26 -7.911 -0.065 4.337 1.00 0.00 O ATOM 354 CB ILE A 26 -10.192 -2.605 4.190 1.00 0.00 C ATOM 355 CG1 ILE A 26 -10.509 -3.965 3.527 1.00 0.00 C ATOM 356 CG2 ILE A 26 -10.800 -1.510 3.312 1.00 0.00 C ATOM 357 CD1 ILE A 26 -11.980 -4.357 3.670 1.00 0.00 C ATOM 0 H ILE A 26 -8.689 -4.127 5.395 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.317 -2.256 3.288 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.607 -2.610 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.250 -3.919 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.885 -4.738 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.873 -1.677 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.625 -0.537 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.336 -1.535 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.149 -5.320 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.236 -4.431 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.606 -3.600 3.198 1.00 0.00 H new ATOM 369 N GLN A 27 -8.396 -0.986 6.345 1.00 0.00 N ATOM 370 CA GLN A 27 -8.063 0.160 7.189 1.00 0.00 C ATOM 371 C GLN A 27 -6.598 0.554 6.969 1.00 0.00 C ATOM 372 O GLN A 27 -6.349 1.726 6.690 1.00 0.00 O ATOM 373 CB GLN A 27 -8.355 -0.150 8.668 1.00 0.00 C ATOM 374 CG GLN A 27 -9.850 -0.057 9.019 1.00 0.00 C ATOM 375 CD GLN A 27 -10.343 1.380 9.208 1.00 0.00 C ATOM 376 OE1 GLN A 27 -10.103 2.009 10.235 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.063 1.941 8.256 1.00 0.00 N ATOM 0 H GLN A 27 -8.722 -1.788 6.885 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.689 1.007 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.995 -1.152 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.796 0.544 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.431 -0.531 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.036 -0.620 9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.267 1.425 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.416 2.890 8.376 1.00 0.00 H new ATOM 386 N LYS A 28 -5.634 -0.381 7.028 1.00 0.00 N ATOM 387 CA LYS A 28 -4.220 -0.076 6.804 1.00 0.00 C ATOM 388 C LYS A 28 -4.033 0.661 5.487 1.00 0.00 C ATOM 389 O LYS A 28 -3.337 1.674 5.447 1.00 0.00 O ATOM 390 CB LYS A 28 -3.414 -1.371 6.755 1.00 0.00 C ATOM 391 CG LYS A 28 -3.175 -1.970 8.138 1.00 0.00 C ATOM 392 CD LYS A 28 -2.836 -3.443 7.929 1.00 0.00 C ATOM 393 CE LYS A 28 -2.156 -4.037 9.147 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.058 -4.262 10.287 1.00 0.00 N ATOM 0 H LYS A 28 -5.817 -1.364 7.232 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.874 0.554 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.939 -2.098 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.454 -1.178 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.360 -1.454 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.061 -1.862 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.748 -4.000 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.185 -3.548 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.697 -4.985 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.350 -3.373 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.518 -4.653 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.491 -3.360 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.804 -4.933 10.012 1.00 0.00 H new ATOM 408 N ALA A 29 -4.643 0.172 4.404 1.00 0.00 N ATOM 409 CA ALA A 29 -4.507 0.826 3.110 1.00 0.00 C ATOM 410 C ALA A 29 -5.017 2.265 3.173 1.00 0.00 C ATOM 411 O ALA A 29 -4.423 3.129 2.537 1.00 0.00 O ATOM 412 CB ALA A 29 -5.232 0.041 2.019 1.00 0.00 C ATOM 0 H ALA A 29 -5.228 -0.664 4.401 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.447 0.851 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.114 0.552 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.809 -0.961 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.292 -0.029 2.264 1.00 0.00 H new ATOM 418 N LEU A 30 -6.109 2.533 3.897 1.00 0.00 N ATOM 419 CA LEU A 30 -6.650 3.880 4.012 1.00 0.00 C ATOM 420 C LEU A 30 -5.685 4.767 4.773 1.00 0.00 C ATOM 421 O LEU A 30 -5.270 5.787 4.231 1.00 0.00 O ATOM 422 CB LEU A 30 -8.008 3.917 4.732 1.00 0.00 C ATOM 423 CG LEU A 30 -9.194 3.417 3.905 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.418 3.356 4.819 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.487 4.337 2.711 1.00 0.00 C ATOM 0 H LEU A 30 -6.634 1.826 4.413 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.793 4.241 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.938 3.316 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.209 4.942 5.044 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.954 2.432 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.279 3.002 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.222 2.672 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.628 4.350 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.336 3.946 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.721 5.339 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.612 4.380 2.062 1.00 0.00 H new ATOM 437 N VAL A 31 -5.313 4.408 6.003 1.00 0.00 N ATOM 438 CA VAL A 31 -4.413 5.241 6.799 1.00 0.00 C ATOM 439 C VAL A 31 -3.086 5.477 6.073 1.00 0.00 C ATOM 440 O VAL A 31 -2.598 6.612 6.040 1.00 0.00 O ATOM 441 CB VAL A 31 -4.287 4.714 8.245 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.573 3.369 8.374 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.590 5.747 9.142 1.00 0.00 C ATOM 0 H VAL A 31 -5.619 3.552 6.466 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.850 6.234 6.907 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.314 4.550 8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.531 3.078 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.118 2.612 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.560 3.456 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.512 5.355 10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.592 5.951 8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.171 6.669 9.154 1.00 0.00 H new ATOM 453 N ILE A 32 -2.522 4.454 5.428 1.00 0.00 N ATOM 454 CA ILE A 32 -1.264 4.591 4.706 1.00 0.00 C ATOM 455 C ILE A 32 -1.456 5.487 3.470 1.00 0.00 C ATOM 456 O ILE A 32 -0.499 6.131 3.030 1.00 0.00 O ATOM 457 CB ILE A 32 -0.649 3.204 4.424 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.307 2.501 5.761 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.627 3.354 3.587 1.00 0.00 C ATOM 460 CD1 ILE A 32 0.039 1.017 5.616 1.00 0.00 C ATOM 0 H ILE A 32 -2.923 3.517 5.394 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.525 5.105 5.321 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.372 2.604 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.534 3.016 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.155 2.601 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.053 2.370 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.386 3.838 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.350 3.962 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.266 0.599 6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.809 0.486 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.907 0.908 4.965 1.00 0.00 H new ATOM 472 N ALA A 33 -2.670 5.576 2.921 1.00 0.00 N ATOM 473 CA ALA A 33 -3.011 6.407 1.774 1.00 0.00 C ATOM 474 C ALA A 33 -3.516 7.786 2.235 1.00 0.00 C ATOM 475 O ALA A 33 -4.077 8.538 1.434 1.00 0.00 O ATOM 476 CB ALA A 33 -4.044 5.686 0.911 1.00 0.00 C ATOM 0 H ALA A 33 -3.468 5.051 3.279 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.119 6.577 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.299 6.308 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.630 4.739 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.941 5.495 1.500 1.00 0.00 H new ATOM 482 N HIS A 34 -3.330 8.133 3.516 1.00 0.00 N ATOM 483 CA HIS A 34 -3.763 9.386 4.143 1.00 0.00 C ATOM 484 C HIS A 34 -5.294 9.554 4.045 1.00 0.00 C ATOM 485 O HIS A 34 -5.811 10.671 4.017 1.00 0.00 O ATOM 486 CB HIS A 34 -2.979 10.602 3.612 1.00 0.00 C ATOM 487 CG HIS A 34 -1.469 10.485 3.582 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.636 11.328 2.883 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.675 9.594 4.257 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.629 10.952 3.122 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.656 9.880 3.931 1.00 0.00 N ATOM 0 H HIS A 34 -2.851 7.517 4.173 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.524 9.331 5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.323 10.811 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.240 11.467 4.222 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.015 8.813 4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.503 11.442 2.720 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.484 9.374 4.246 1.00 0.00 H new ATOM 499 N ASN A 35 -6.006 8.423 3.978 1.00 0.00 N ATOM 500 CA ASN A 35 -7.445 8.170 3.884 1.00 0.00 C ATOM 501 C ASN A 35 -7.958 8.135 2.443 1.00 0.00 C ATOM 502 O ASN A 35 -9.156 7.937 2.257 1.00 0.00 O ATOM 503 CB ASN A 35 -8.301 9.079 4.790 1.00 0.00 C ATOM 504 CG ASN A 35 -7.995 8.903 6.273 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.623 7.820 6.728 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.148 9.948 7.062 1.00 0.00 N ATOM 0 H ASN A 35 -5.507 7.533 3.991 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.571 7.162 4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.135 10.120 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.356 8.867 4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.958 9.865 8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.456 10.839 6.674 1.00 0.00 H new ATOM 513 N ASN A 36 -7.105 8.315 1.431 1.00 0.00 N ATOM 514 CA ASN A 36 -7.492 8.304 0.017 1.00 0.00 C ATOM 515 C ASN A 36 -7.992 6.910 -0.398 1.00 0.00 C ATOM 516 O ASN A 36 -7.193 5.975 -0.473 1.00 0.00 O ATOM 517 CB ASN A 36 -6.299 8.755 -0.840 1.00 0.00 C ATOM 518 CG ASN A 36 -6.634 8.863 -2.326 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.463 8.137 -2.861 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.941 9.727 -3.041 1.00 0.00 N ATOM 0 H ASN A 36 -6.108 8.475 1.574 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.315 9.001 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.948 9.723 -0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.478 8.050 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.093 9.795 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.253 10.328 -2.588 1.00 0.00 H new ATOM 527 N ILE A 37 -9.294 6.757 -0.670 1.00 0.00 N ATOM 528 CA ILE A 37 -9.898 5.480 -1.064 1.00 0.00 C ATOM 529 C ILE A 37 -9.409 4.972 -2.421 1.00 0.00 C ATOM 530 O ILE A 37 -9.247 3.769 -2.602 1.00 0.00 O ATOM 531 CB ILE A 37 -11.445 5.592 -1.048 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.198 4.257 -1.264 1.00 0.00 C ATOM 533 CG2 ILE A 37 -12.013 6.585 -2.078 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.042 3.256 -0.117 1.00 0.00 C ATOM 0 H ILE A 37 -9.964 7.525 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.577 4.742 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.621 5.951 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.258 4.469 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.841 3.796 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.100 6.605 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.617 7.581 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.724 6.273 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.600 2.349 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.988 3.011 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.427 3.695 0.804 1.00 0.00 H new ATOM 546 N GLU A 38 -9.209 5.852 -3.399 1.00 0.00 N ATOM 547 CA GLU A 38 -8.777 5.474 -4.742 1.00 0.00 C ATOM 548 C GLU A 38 -7.345 4.949 -4.723 1.00 0.00 C ATOM 549 O GLU A 38 -6.994 4.006 -5.433 1.00 0.00 O ATOM 550 CB GLU A 38 -8.923 6.679 -5.683 1.00 0.00 C ATOM 551 CG GLU A 38 -10.388 7.182 -5.651 1.00 0.00 C ATOM 552 CD GLU A 38 -10.846 8.042 -6.835 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.037 8.398 -7.714 1.00 0.00 O ATOM 554 OE2 GLU A 38 -12.074 8.302 -6.919 1.00 0.00 O ATOM 0 H GLU A 38 -9.343 6.856 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.410 4.667 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.246 7.477 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.646 6.397 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.045 6.314 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.530 7.758 -4.737 1.00 0.00 H new ATOM 561 N MET A 39 -6.504 5.576 -3.912 1.00 0.00 N ATOM 562 CA MET A 39 -5.113 5.217 -3.729 1.00 0.00 C ATOM 563 C MET A 39 -5.103 3.883 -2.978 1.00 0.00 C ATOM 564 O MET A 39 -4.499 2.916 -3.439 1.00 0.00 O ATOM 565 CB MET A 39 -4.459 6.366 -2.966 1.00 0.00 C ATOM 566 CG MET A 39 -2.941 6.338 -2.899 1.00 0.00 C ATOM 567 SD MET A 39 -2.293 7.920 -2.260 1.00 0.00 S ATOM 568 CE MET A 39 -0.506 7.721 -2.501 1.00 0.00 C ATOM 0 H MET A 39 -6.786 6.376 -3.346 1.00 0.00 H new ATOM 0 HA MET A 39 -4.551 5.079 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.766 7.305 -3.428 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.849 6.369 -1.948 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.616 5.520 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.532 6.146 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.013 8.601 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.163 6.836 -1.964 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.293 7.606 -3.564 1.00 0.00 H new ATOM 578 N ALA A 40 -5.855 3.792 -1.874 1.00 0.00 N ATOM 579 CA ALA A 40 -5.968 2.591 -1.060 1.00 0.00 C ATOM 580 C ALA A 40 -6.463 1.400 -1.893 1.00 0.00 C ATOM 581 O ALA A 40 -5.975 0.282 -1.715 1.00 0.00 O ATOM 582 CB ALA A 40 -6.903 2.869 0.117 1.00 0.00 C ATOM 0 H ALA A 40 -6.410 4.571 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.982 2.325 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.992 1.973 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.498 3.682 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.887 3.150 -0.258 1.00 0.00 H new ATOM 588 N LYS A 41 -7.409 1.620 -2.817 1.00 0.00 N ATOM 589 CA LYS A 41 -7.935 0.571 -3.690 1.00 0.00 C ATOM 590 C LYS A 41 -6.786 -0.033 -4.480 1.00 0.00 C ATOM 591 O LYS A 41 -6.719 -1.256 -4.574 1.00 0.00 O ATOM 592 CB LYS A 41 -8.986 1.123 -4.668 1.00 0.00 C ATOM 593 CG LYS A 41 -10.401 1.095 -4.088 1.00 0.00 C ATOM 594 CD LYS A 41 -11.391 1.741 -5.061 1.00 0.00 C ATOM 595 CE LYS A 41 -12.790 1.637 -4.459 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.838 2.112 -5.378 1.00 0.00 N ATOM 0 H LYS A 41 -7.830 2.535 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.416 -0.184 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.727 2.148 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.963 0.539 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.698 0.066 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.421 1.624 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.128 2.785 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.355 1.239 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.990 0.600 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.829 2.218 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.760 2.084 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.629 3.088 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.867 1.500 -6.218 1.00 0.00 H new ATOM 610 N ASN A 42 -5.905 0.801 -5.041 1.00 0.00 N ATOM 611 CA ASN A 42 -4.761 0.342 -5.821 1.00 0.00 C ATOM 612 C ASN A 42 -3.806 -0.485 -4.964 1.00 0.00 C ATOM 613 O ASN A 42 -3.232 -1.442 -5.481 1.00 0.00 O ATOM 614 CB ASN A 42 -4.055 1.508 -6.536 1.00 0.00 C ATOM 615 CG ASN A 42 -4.839 1.984 -7.753 1.00 0.00 C ATOM 616 OD1 ASN A 42 -5.566 1.222 -8.387 1.00 0.00 O ATOM 617 ND2 ASN A 42 -4.705 3.232 -8.155 1.00 0.00 N ATOM 0 H ASN A 42 -5.969 1.816 -4.964 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.134 -0.317 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.926 2.337 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.058 1.194 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.202 3.557 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.104 3.873 -7.637 1.00 0.00 H new ATOM 624 N ILE A 43 -3.641 -0.166 -3.671 1.00 0.00 N ATOM 625 CA ILE A 43 -2.771 -0.939 -2.773 1.00 0.00 C ATOM 626 C ILE A 43 -3.324 -2.368 -2.797 1.00 0.00 C ATOM 627 O ILE A 43 -2.633 -3.332 -3.135 1.00 0.00 O ATOM 628 CB ILE A 43 -2.706 -0.323 -1.346 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.197 1.133 -1.422 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.817 -1.166 -0.436 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.058 1.871 -0.094 1.00 0.00 C ATOM 0 H ILE A 43 -4.102 0.626 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.733 -0.927 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.709 -0.317 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.225 1.130 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.876 1.700 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.785 -0.718 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.222 -2.176 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.809 -1.207 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.693 2.882 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.029 1.919 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.352 1.340 0.545 1.00 0.00 H new ATOM 643 N LEU A 44 -4.622 -2.482 -2.521 1.00 0.00 N ATOM 644 CA LEU A 44 -5.410 -3.709 -2.493 1.00 0.00 C ATOM 645 C LEU A 44 -5.680 -4.235 -3.920 1.00 0.00 C ATOM 646 O LEU A 44 -6.713 -4.858 -4.162 1.00 0.00 O ATOM 647 CB LEU A 44 -6.725 -3.414 -1.741 1.00 0.00 C ATOM 648 CG LEU A 44 -6.549 -2.912 -0.293 1.00 0.00 C ATOM 649 CD1 LEU A 44 -7.891 -2.435 0.260 1.00 0.00 C ATOM 650 CD2 LEU A 44 -5.978 -3.987 0.633 1.00 0.00 C ATOM 0 H LEU A 44 -5.187 -1.663 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.858 -4.494 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.288 -2.668 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.328 -4.322 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.836 -2.088 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.758 -2.082 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.271 -1.622 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.603 -3.261 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.874 -3.582 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.651 -4.844 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.001 -4.302 0.266 1.00 0.00 H new ATOM 662 N ARG A 45 -4.805 -3.956 -4.895 1.00 0.00 N ATOM 663 CA ARG A 45 -4.930 -4.381 -6.292 1.00 0.00 C ATOM 664 C ARG A 45 -3.623 -4.927 -6.857 1.00 0.00 C ATOM 665 O ARG A 45 -3.663 -5.667 -7.844 1.00 0.00 O ATOM 666 CB ARG A 45 -5.438 -3.196 -7.123 1.00 0.00 C ATOM 667 CG ARG A 45 -6.193 -3.610 -8.391 1.00 0.00 C ATOM 668 CD ARG A 45 -7.230 -2.546 -8.774 1.00 0.00 C ATOM 669 NE ARG A 45 -8.313 -2.482 -7.780 1.00 0.00 N ATOM 670 CZ ARG A 45 -9.488 -1.860 -7.879 1.00 0.00 C ATOM 671 NH1 ARG A 45 -9.808 -1.153 -8.955 1.00 0.00 N ATOM 672 NH2 ARG A 45 -10.326 -1.948 -6.855 1.00 0.00 N ATOM 0 H ARG A 45 -3.961 -3.409 -4.725 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.644 -5.204 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.094 -2.584 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.590 -2.571 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.488 -3.750 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.689 -4.567 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.746 -1.573 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.646 -2.775 -9.755 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.143 -2.976 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.149 -1.077 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.713 -0.686 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.063 -2.479 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.233 -1.484 -6.897 1.00 0.00 H new ATOM 686 N GLU A 46 -2.482 -4.593 -6.248 1.00 0.00 N ATOM 687 CA GLU A 46 -1.159 -5.057 -6.672 1.00 0.00 C ATOM 688 C GLU A 46 -0.438 -5.797 -5.541 1.00 0.00 C ATOM 689 O GLU A 46 0.640 -6.350 -5.766 1.00 0.00 O ATOM 690 CB GLU A 46 -0.298 -3.893 -7.183 1.00 0.00 C ATOM 691 CG GLU A 46 -0.913 -3.142 -8.372 1.00 0.00 C ATOM 692 CD GLU A 46 0.154 -2.731 -9.391 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.507 -3.575 -10.249 1.00 0.00 O ATOM 694 OE2 GLU A 46 0.609 -1.569 -9.403 1.00 0.00 O ATOM 0 H GLU A 46 -2.452 -3.982 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.311 -5.757 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.134 -3.189 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.680 -4.277 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.656 -3.774 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.435 -2.255 -8.013 1.00 0.00 H new ATOM 701 N PHE A 47 -1.022 -5.806 -4.338 1.00 0.00 N ATOM 702 CA PHE A 47 -0.476 -6.466 -3.168 1.00 0.00 C ATOM 703 C PHE A 47 -1.491 -7.512 -2.715 1.00 0.00 C ATOM 704 O PHE A 47 -1.478 -8.646 -3.200 1.00 0.00 O ATOM 705 CB PHE A 47 -0.163 -5.453 -2.062 1.00 0.00 C ATOM 706 CG PHE A 47 1.061 -4.616 -2.322 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.994 -3.471 -3.139 1.00 0.00 C ATOM 708 CD2 PHE A 47 2.277 -4.995 -1.729 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.175 -2.782 -3.455 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.435 -4.265 -2.000 1.00 0.00 C ATOM 711 CZ PHE A 47 3.387 -3.182 -2.881 1.00 0.00 C ATOM 0 H PHE A 47 -1.911 -5.339 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 47 0.470 -6.953 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.021 -4.793 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.031 -5.988 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.043 -3.127 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.315 -5.847 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.149 -1.946 -4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.368 -4.537 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.294 -2.648 -3.122 1.00 0.00 H new ATOM 721 N SER A 48 -2.393 -7.096 -1.821 1.00 0.00 N ATOM 722 CA SER A 48 -3.447 -7.912 -1.260 1.00 0.00 C ATOM 723 C SER A 48 -4.406 -8.257 -2.397 1.00 0.00 C ATOM 724 O SER A 48 -4.988 -7.360 -3.017 1.00 0.00 O ATOM 725 CB SER A 48 -4.120 -7.147 -0.103 1.00 0.00 C ATOM 726 OG SER A 48 -4.603 -8.028 0.888 1.00 0.00 O ATOM 0 H SER A 48 -2.400 -6.142 -1.461 1.00 0.00 H new ATOM 0 HA SER A 48 -3.072 -8.843 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.405 -6.455 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.944 -6.548 -0.492 1.00 0.00 H new ATOM 0 HG SER A 48 -4.698 -7.546 1.736 1.00 0.00 H new ATOM 865 N LEU B 9 16.541 7.734 -3.742 1.00 0.00 N ATOM 866 CA LEU B 9 15.452 6.747 -3.785 1.00 0.00 C ATOM 867 C LEU B 9 15.940 5.382 -4.294 1.00 0.00 C ATOM 868 O LEU B 9 15.447 4.340 -3.864 1.00 0.00 O ATOM 869 CB LEU B 9 14.276 7.324 -4.587 1.00 0.00 C ATOM 870 CG LEU B 9 13.091 6.353 -4.736 1.00 0.00 C ATOM 871 CD1 LEU B 9 11.769 7.116 -4.709 1.00 0.00 C ATOM 872 CD2 LEU B 9 13.147 5.591 -6.061 1.00 0.00 C ATOM 0 HA LEU B 9 15.093 6.553 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.928 8.235 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU B 9 14.629 7.607 -5.579 1.00 0.00 H new ATOM 0 HG LEU B 9 13.157 5.653 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU B 9 10.942 6.414 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU B 9 11.675 7.647 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU B 9 11.745 7.832 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU B 9 12.294 4.916 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU B 9 13.116 6.299 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.071 5.014 -6.110 1.00 0.00 H new ATOM 884 N SER B 10 16.926 5.379 -5.187 1.00 0.00 N ATOM 885 CA SER B 10 17.545 4.199 -5.758 1.00 0.00 C ATOM 886 C SER B 10 18.163 3.326 -4.661 1.00 0.00 C ATOM 887 O SER B 10 18.019 2.103 -4.706 1.00 0.00 O ATOM 888 CB SER B 10 18.589 4.662 -6.780 1.00 0.00 C ATOM 889 OG SER B 10 19.121 5.938 -6.457 1.00 0.00 O ATOM 0 H SER B 10 17.330 6.244 -5.546 1.00 0.00 H new ATOM 0 HA SER B 10 16.801 3.581 -6.260 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.398 3.933 -6.827 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.135 4.699 -7.770 1.00 0.00 H new ATOM 0 HG SER B 10 18.608 6.633 -6.920 1.00 0.00 H new ATOM 895 N SER B 11 18.852 3.938 -3.693 1.00 0.00 N ATOM 896 CA SER B 11 19.473 3.250 -2.572 1.00 0.00 C ATOM 897 C SER B 11 18.387 2.728 -1.635 1.00 0.00 C ATOM 898 O SER B 11 18.502 1.604 -1.147 1.00 0.00 O ATOM 899 CB SER B 11 20.379 4.213 -1.792 1.00 0.00 C ATOM 900 OG SER B 11 21.470 4.632 -2.586 1.00 0.00 O ATOM 0 H SER B 11 18.993 4.948 -3.672 1.00 0.00 H new ATOM 0 HA SER B 11 20.071 2.423 -2.955 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.803 5.081 -1.471 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.747 3.723 -0.890 1.00 0.00 H new ATOM 0 HG SER B 11 22.033 5.246 -2.070 1.00 0.00 H new ATOM 906 N GLU B 12 17.334 3.521 -1.393 1.00 0.00 N ATOM 907 CA GLU B 12 16.219 3.168 -0.514 1.00 0.00 C ATOM 908 C GLU B 12 15.529 1.888 -1.008 1.00 0.00 C ATOM 909 O GLU B 12 15.154 1.044 -0.192 1.00 0.00 O ATOM 910 CB GLU B 12 15.222 4.332 -0.393 1.00 0.00 C ATOM 911 CG GLU B 12 15.805 5.661 0.124 1.00 0.00 C ATOM 912 CD GLU B 12 16.241 5.675 1.596 1.00 0.00 C ATOM 913 OE1 GLU B 12 15.863 4.743 2.345 1.00 0.00 O ATOM 914 OE2 GLU B 12 16.885 6.674 2.001 1.00 0.00 O ATOM 0 H GLU B 12 17.235 4.445 -1.814 1.00 0.00 H new ATOM 0 HA GLU B 12 16.615 2.973 0.482 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.777 4.508 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.415 4.027 0.273 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.666 5.922 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.060 6.443 -0.022 1.00 0.00 H new ATOM 921 N ILE B 13 15.394 1.711 -2.332 1.00 0.00 N ATOM 922 CA ILE B 13 14.782 0.521 -2.933 1.00 0.00 C ATOM 923 C ILE B 13 15.584 -0.714 -2.493 1.00 0.00 C ATOM 924 O ILE B 13 15.007 -1.769 -2.220 1.00 0.00 O ATOM 925 CB ILE B 13 14.733 0.673 -4.478 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.638 1.676 -4.894 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.504 -0.659 -5.224 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.778 2.147 -6.345 1.00 0.00 C ATOM 0 H ILE B 13 15.710 2.396 -3.018 1.00 0.00 H new ATOM 0 HA ILE B 13 13.753 0.401 -2.594 1.00 0.00 H new ATOM 0 HB ILE B 13 15.717 1.042 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.660 1.214 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.675 2.541 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.481 -0.475 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.314 -1.350 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.555 -1.093 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.979 2.851 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.743 2.637 -6.477 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.712 1.289 -7.014 1.00 0.00 H new ATOM 940 N GLU B 14 16.915 -0.616 -2.451 1.00 0.00 N ATOM 941 CA GLU B 14 17.744 -1.738 -2.031 1.00 0.00 C ATOM 942 C GLU B 14 17.625 -1.959 -0.526 1.00 0.00 C ATOM 943 O GLU B 14 17.719 -3.100 -0.079 1.00 0.00 O ATOM 944 CB GLU B 14 19.209 -1.512 -2.365 1.00 0.00 C ATOM 945 CG GLU B 14 19.487 -1.359 -3.858 1.00 0.00 C ATOM 946 CD GLU B 14 20.930 -0.919 -4.091 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.830 -1.277 -3.288 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.163 -0.171 -5.058 1.00 0.00 O ATOM 0 H GLU B 14 17.435 0.225 -2.702 1.00 0.00 H new ATOM 0 HA GLU B 14 17.385 -2.614 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.556 -0.618 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU B 14 19.792 -2.349 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.302 -2.305 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.803 -0.627 -4.288 1.00 0.00 H new ATOM 955 N ARG B 15 17.422 -0.900 0.274 1.00 0.00 N ATOM 956 CA ARG B 15 17.299 -1.096 1.721 1.00 0.00 C ATOM 957 C ARG B 15 16.061 -1.936 2.019 1.00 0.00 C ATOM 958 O ARG B 15 15.993 -2.571 3.074 1.00 0.00 O ATOM 959 CB ARG B 15 17.286 0.227 2.504 1.00 0.00 C ATOM 960 CG ARG B 15 18.492 1.131 2.195 1.00 0.00 C ATOM 961 CD ARG B 15 18.726 2.173 3.291 1.00 0.00 C ATOM 962 NE ARG B 15 19.459 1.608 4.442 1.00 0.00 N ATOM 963 CZ ARG B 15 20.790 1.537 4.582 1.00 0.00 C ATOM 964 NH1 ARG B 15 21.600 2.077 3.678 1.00 0.00 N ATOM 965 NH2 ARG B 15 21.307 0.939 5.646 1.00 0.00 N ATOM 0 H ARG B 15 17.342 0.066 -0.044 1.00 0.00 H new ATOM 0 HA ARG B 15 18.186 -1.630 2.062 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.368 0.768 2.274 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.269 0.009 3.572 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.385 0.517 2.083 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.331 1.637 1.243 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.287 3.012 2.880 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.767 2.566 3.629 1.00 0.00 H new ATOM 0 HE ARG B 15 18.896 1.235 5.206 1.00 0.00 H new ATOM 0 HH11 ARG B 15 21.211 2.553 2.864 1.00 0.00 H new ATOM 0 HH12 ARG B 15 22.611 2.015 3.798 1.00 0.00 H new ATOM 0 HH21 ARG B 15 20.693 0.536 6.353 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.319 0.882 5.758 1.00 0.00 H new ATOM 979 N LEU B 16 15.079 -1.934 1.115 1.00 0.00 N ATOM 980 CA LEU B 16 13.848 -2.693 1.229 1.00 0.00 C ATOM 981 C LEU B 16 14.066 -4.133 0.756 1.00 0.00 C ATOM 982 O LEU B 16 13.462 -5.034 1.335 1.00 0.00 O ATOM 983 CB LEU B 16 12.748 -1.980 0.429 1.00 0.00 C ATOM 984 CG LEU B 16 12.163 -0.777 1.192 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.529 0.212 0.209 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.124 -1.253 2.217 1.00 0.00 C ATOM 0 H LEU B 16 15.128 -1.383 0.258 1.00 0.00 H new ATOM 0 HA LEU B 16 13.533 -2.747 2.271 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.155 -1.641 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.950 -2.687 0.201 1.00 0.00 H new ATOM 0 HG LEU B 16 12.969 -0.272 1.724 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.118 1.059 0.759 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.287 0.566 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.730 -0.284 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.718 -0.393 2.750 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.317 -1.775 1.702 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.598 -1.930 2.928 1.00 0.00 H new ATOM 998 N MET B 17 14.937 -4.389 -0.237 1.00 0.00 N ATOM 999 CA MET B 17 15.213 -5.743 -0.744 1.00 0.00 C ATOM 1000 C MET B 17 15.555 -6.695 0.404 1.00 0.00 C ATOM 1001 O MET B 17 15.046 -7.816 0.462 1.00 0.00 O ATOM 1002 CB MET B 17 16.399 -5.754 -1.726 1.00 0.00 C ATOM 1003 CG MET B 17 16.125 -5.128 -3.087 1.00 0.00 C ATOM 1004 SD MET B 17 17.602 -5.085 -4.143 1.00 0.00 S ATOM 1005 CE MET B 17 16.881 -4.610 -5.739 1.00 0.00 C ATOM 0 H MET B 17 15.470 -3.660 -0.711 1.00 0.00 H new ATOM 0 HA MET B 17 14.308 -6.069 -1.257 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.236 -5.229 -1.265 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.715 -6.786 -1.877 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.339 -5.691 -3.590 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.752 -4.113 -2.948 1.00 0.00 H new ATOM 0 HE1 MET B 17 17.669 -4.543 -6.489 1.00 0.00 H new ATOM 0 HE2 MET B 17 16.151 -5.359 -6.046 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.389 -3.642 -5.642 1.00 0.00 H new ATOM 1015 N SER B 18 16.366 -6.229 1.357 1.00 0.00 N ATOM 1016 CA SER B 18 16.813 -6.988 2.517 1.00 0.00 C ATOM 1017 C SER B 18 15.693 -7.561 3.396 1.00 0.00 C ATOM 1018 O SER B 18 15.987 -8.384 4.261 1.00 0.00 O ATOM 1019 CB SER B 18 17.778 -6.122 3.323 1.00 0.00 C ATOM 1020 OG SER B 18 18.835 -5.685 2.485 1.00 0.00 O ATOM 0 H SER B 18 16.740 -5.280 1.337 1.00 0.00 H new ATOM 0 HA SER B 18 17.316 -7.878 2.138 1.00 0.00 H new ATOM 0 HB2 SER B 18 17.251 -5.263 3.740 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.177 -6.690 4.164 1.00 0.00 H new ATOM 0 HG SER B 18 19.453 -5.128 3.002 1.00 0.00 H new ATOM 1026 N GLN B 19 14.433 -7.152 3.231 1.00 0.00 N ATOM 1027 CA GLN B 19 13.328 -7.697 4.014 1.00 0.00 C ATOM 1028 C GLN B 19 12.778 -8.977 3.350 1.00 0.00 C ATOM 1029 O GLN B 19 11.828 -9.568 3.870 1.00 0.00 O ATOM 1030 CB GLN B 19 12.216 -6.645 4.136 1.00 0.00 C ATOM 1031 CG GLN B 19 12.631 -5.325 4.807 1.00 0.00 C ATOM 1032 CD GLN B 19 13.230 -5.462 6.209 1.00 0.00 C ATOM 1033 OE1 GLN B 19 14.114 -4.691 6.581 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.789 -6.399 7.035 1.00 0.00 N ATOM 0 H GLN B 19 14.154 -6.440 2.556 1.00 0.00 H new ATOM 0 HA GLN B 19 13.691 -7.954 5.009 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.837 -6.423 3.138 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.390 -7.077 4.701 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.358 -4.824 4.167 1.00 0.00 H new ATOM 0 HG3 GLN B 19 11.757 -4.676 4.865 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.056 -7.041 6.733 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.182 -6.478 7.973 1.00 0.00 H new ATOM 1043 N GLY B 20 13.360 -9.411 2.226 1.00 0.00 N ATOM 1044 CA GLY B 20 12.965 -10.578 1.440 1.00 0.00 C ATOM 1045 C GLY B 20 12.087 -10.165 0.254 1.00 0.00 C ATOM 1046 O GLY B 20 11.575 -11.017 -0.477 1.00 0.00 O ATOM 0 H GLY B 20 14.163 -8.929 1.821 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.853 -11.095 1.078 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.422 -11.281 2.072 1.00 0.00 H new ATOM 1050 N TYR B 21 11.901 -8.856 0.087 1.00 0.00 N ATOM 1051 CA TYR B 21 11.106 -8.220 -0.936 1.00 0.00 C ATOM 1052 C TYR B 21 11.766 -8.287 -2.307 1.00 0.00 C ATOM 1053 O TYR B 21 12.993 -8.240 -2.439 1.00 0.00 O ATOM 1054 CB TYR B 21 10.909 -6.759 -0.530 1.00 0.00 C ATOM 1055 CG TYR B 21 10.199 -6.498 0.795 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.448 -7.493 1.458 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.273 -5.210 1.359 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.813 -7.206 2.675 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.618 -4.909 2.566 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.884 -5.913 3.233 1.00 0.00 C ATOM 1061 OH TYR B 21 8.250 -5.638 4.403 1.00 0.00 O ATOM 0 H TYR B 21 12.336 -8.176 0.710 1.00 0.00 H new ATOM 0 HA TYR B 21 10.154 -8.744 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.889 -6.284 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.346 -6.261 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR B 21 9.362 -8.479 1.026 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.842 -4.441 0.857 1.00 0.00 H new ATOM 0 HE1 TYR B 21 8.265 -7.982 3.189 1.00 0.00 H new ATOM 0 HE2 TYR B 21 9.676 -3.914 2.981 1.00 0.00 H new ATOM 0 HH TYR B 21 8.189 -4.667 4.521 1.00 0.00 H new ATOM 1071 N SER B 22 10.918 -8.366 -3.328 1.00 0.00 N ATOM 1072 CA SER B 22 11.329 -8.414 -4.718 1.00 0.00 C ATOM 1073 C SER B 22 11.184 -7.002 -5.288 1.00 0.00 C ATOM 1074 O SER B 22 10.354 -6.217 -4.823 1.00 0.00 O ATOM 1075 CB SER B 22 10.534 -9.490 -5.455 1.00 0.00 C ATOM 1076 OG SER B 22 10.632 -10.717 -4.752 1.00 0.00 O ATOM 0 H SER B 22 9.906 -8.399 -3.204 1.00 0.00 H new ATOM 0 HA SER B 22 12.372 -8.706 -4.838 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.489 -9.190 -5.541 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.916 -9.608 -6.469 1.00 0.00 H new ATOM 0 HG SER B 22 10.120 -11.406 -5.224 1.00 0.00 H new ATOM 1082 N TYR B 23 11.981 -6.671 -6.304 1.00 0.00 N ATOM 1083 CA TYR B 23 11.970 -5.349 -6.918 1.00 0.00 C ATOM 1084 C TYR B 23 10.590 -4.879 -7.385 1.00 0.00 C ATOM 1085 O TYR B 23 10.274 -3.699 -7.219 1.00 0.00 O ATOM 1086 CB TYR B 23 13.033 -5.280 -8.024 1.00 0.00 C ATOM 1087 CG TYR B 23 13.077 -3.955 -8.764 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.295 -2.771 -8.041 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.904 -3.892 -10.161 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.347 -1.534 -8.695 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.985 -2.654 -10.830 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.209 -1.466 -10.094 1.00 0.00 C ATOM 1093 OH TYR B 23 13.285 -0.252 -10.701 1.00 0.00 O ATOM 0 H TYR B 23 12.652 -7.315 -6.723 1.00 0.00 H new ATOM 0 HA TYR B 23 12.230 -4.633 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.012 -5.470 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.846 -6.078 -8.742 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.424 -2.815 -6.970 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.709 -4.795 -10.721 1.00 0.00 H new ATOM 0 HE1 TYR B 23 13.493 -0.629 -8.124 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.876 -2.612 -11.904 1.00 0.00 H new ATOM 0 HH TYR B 23 13.173 -0.362 -11.668 1.00 0.00 H new ATOM 1103 N GLN B 24 9.756 -5.758 -7.947 1.00 0.00 N ATOM 1104 CA GLN B 24 8.434 -5.340 -8.405 1.00 0.00 C ATOM 1105 C GLN B 24 7.561 -4.902 -7.242 1.00 0.00 C ATOM 1106 O GLN B 24 6.837 -3.926 -7.382 1.00 0.00 O ATOM 1107 CB GLN B 24 7.679 -6.463 -9.103 1.00 0.00 C ATOM 1108 CG GLN B 24 8.175 -6.745 -10.511 1.00 0.00 C ATOM 1109 CD GLN B 24 7.414 -7.930 -11.102 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.185 -7.936 -11.123 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.126 -8.945 -11.559 1.00 0.00 N ATOM 0 H GLN B 24 9.969 -6.745 -8.093 1.00 0.00 H new ATOM 0 HA GLN B 24 8.619 -4.519 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.765 -7.372 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.620 -6.207 -9.144 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.037 -5.864 -11.138 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.243 -6.960 -10.493 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.145 -8.909 -11.527 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.657 -9.765 -11.944 1.00 0.00 H new ATOM 1120 N ASP B 25 7.601 -5.632 -6.129 1.00 0.00 N ATOM 1121 CA ASP B 25 6.811 -5.332 -4.930 1.00 0.00 C ATOM 1122 C ASP B 25 7.123 -3.903 -4.490 1.00 0.00 C ATOM 1123 O ASP B 25 6.237 -3.071 -4.314 1.00 0.00 O ATOM 1124 CB ASP B 25 7.105 -6.347 -3.813 1.00 0.00 C ATOM 1125 CG ASP B 25 6.008 -6.370 -2.748 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.863 -6.722 -3.108 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.316 -6.070 -1.571 1.00 0.00 O ATOM 0 H ASP B 25 8.189 -6.459 -6.030 1.00 0.00 H new ATOM 0 HA ASP B 25 5.747 -5.413 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.209 -7.342 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP B 25 8.058 -6.103 -3.345 1.00 0.00 H new ATOM 1132 N ILE B 26 8.413 -3.576 -4.415 1.00 0.00 N ATOM 1133 CA ILE B 26 8.875 -2.254 -4.020 1.00 0.00 C ATOM 1134 C ILE B 26 8.373 -1.221 -5.040 1.00 0.00 C ATOM 1135 O ILE B 26 7.824 -0.188 -4.651 1.00 0.00 O ATOM 1136 CB ILE B 26 10.401 -2.290 -3.810 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.723 -3.223 -2.618 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.957 -0.883 -3.530 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.135 -3.787 -2.650 1.00 0.00 C ATOM 0 H ILE B 26 9.168 -4.228 -4.629 1.00 0.00 H new ATOM 0 HA ILE B 26 8.460 -1.943 -3.061 1.00 0.00 H new ATOM 0 HB ILE B 26 10.870 -2.664 -4.720 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.582 -2.672 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.011 -4.048 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.036 -0.940 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.738 -0.230 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.492 -0.480 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.289 -4.431 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.275 -4.366 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.854 -2.968 -2.626 1.00 0.00 H new ATOM 1151 N GLN B 27 8.538 -1.493 -6.338 1.00 0.00 N ATOM 1152 CA GLN B 27 8.074 -0.602 -7.401 1.00 0.00 C ATOM 1153 C GLN B 27 6.561 -0.366 -7.319 1.00 0.00 C ATOM 1154 O GLN B 27 6.139 0.781 -7.461 1.00 0.00 O ATOM 1155 CB GLN B 27 8.467 -1.145 -8.782 1.00 0.00 C ATOM 1156 CG GLN B 27 9.956 -0.934 -9.066 1.00 0.00 C ATOM 1157 CD GLN B 27 10.288 0.552 -9.181 1.00 0.00 C ATOM 1158 OE1 GLN B 27 9.855 1.243 -10.103 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.006 1.107 -8.217 1.00 0.00 N ATOM 0 H GLN B 27 8.997 -2.337 -6.679 1.00 0.00 H new ATOM 0 HA GLN B 27 8.566 0.360 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.233 -2.208 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN B 27 7.875 -0.649 -9.551 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.549 -1.382 -8.268 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.229 -1.443 -9.990 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.364 0.534 -7.453 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.201 2.108 -8.238 1.00 0.00 H new ATOM 1168 N LYS B 28 5.747 -1.401 -7.087 1.00 0.00 N ATOM 1169 CA LYS B 28 4.298 -1.286 -6.960 1.00 0.00 C ATOM 1170 C LYS B 28 3.977 -0.335 -5.810 1.00 0.00 C ATOM 1171 O LYS B 28 3.178 0.582 -5.992 1.00 0.00 O ATOM 1172 CB LYS B 28 3.687 -2.666 -6.696 1.00 0.00 C ATOM 1173 CG LYS B 28 3.680 -3.569 -7.935 1.00 0.00 C ATOM 1174 CD LYS B 28 3.505 -5.021 -7.484 1.00 0.00 C ATOM 1175 CE LYS B 28 3.012 -5.917 -8.616 1.00 0.00 C ATOM 1176 NZ LYS B 28 4.102 -6.569 -9.373 1.00 0.00 N ATOM 0 H LYS B 28 6.087 -2.357 -6.981 1.00 0.00 H new ATOM 0 HA LYS B 28 3.875 -0.893 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.245 -3.157 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.665 -2.542 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS B 28 2.871 -3.282 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.611 -3.456 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.455 -5.401 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.797 -5.060 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.359 -6.685 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS B 28 2.409 -5.322 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.696 -7.226 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 4.663 -5.845 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.714 -7.095 -8.717 1.00 0.00 H new ATOM 1190 N ALA B 29 4.586 -0.519 -4.632 1.00 0.00 N ATOM 1191 CA ALA B 29 4.321 0.368 -3.502 1.00 0.00 C ATOM 1192 C ALA B 29 4.691 1.801 -3.865 1.00 0.00 C ATOM 1193 O ALA B 29 3.961 2.721 -3.514 1.00 0.00 O ATOM 1194 CB ALA B 29 5.093 -0.058 -2.251 1.00 0.00 C ATOM 0 H ALA B 29 5.256 -1.264 -4.442 1.00 0.00 H new ATOM 0 HA ALA B 29 3.256 0.305 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.868 0.627 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.799 -1.069 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.163 -0.036 -2.459 1.00 0.00 H new ATOM 1200 N LEU B 30 5.813 1.998 -4.561 1.00 0.00 N ATOM 1201 CA LEU B 30 6.268 3.319 -4.956 1.00 0.00 C ATOM 1202 C LEU B 30 5.279 3.980 -5.900 1.00 0.00 C ATOM 1203 O LEU B 30 4.834 5.084 -5.600 1.00 0.00 O ATOM 1204 CB LEU B 30 7.674 3.254 -5.571 1.00 0.00 C ATOM 1205 CG LEU B 30 8.770 3.235 -4.493 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.111 2.846 -5.116 1.00 0.00 C ATOM 1207 CD2 LEU B 30 8.906 4.615 -3.832 1.00 0.00 C ATOM 0 H LEU B 30 6.427 1.242 -4.863 1.00 0.00 H new ATOM 0 HA LEU B 30 6.327 3.937 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.758 2.361 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.824 4.112 -6.226 1.00 0.00 H new ATOM 0 HG LEU B 30 8.488 2.503 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.881 2.835 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.031 1.855 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.378 3.570 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.687 4.579 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.168 5.356 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.960 4.890 -3.367 1.00 0.00 H new ATOM 1219 N VAL B 31 4.922 3.344 -7.016 1.00 0.00 N ATOM 1220 CA VAL B 31 3.993 3.940 -7.969 1.00 0.00 C ATOM 1221 C VAL B 31 2.636 4.228 -7.319 1.00 0.00 C ATOM 1222 O VAL B 31 2.103 5.325 -7.502 1.00 0.00 O ATOM 1223 CB VAL B 31 3.928 3.109 -9.265 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.213 1.761 -9.140 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.275 3.902 -10.401 1.00 0.00 C ATOM 0 H VAL B 31 5.262 2.419 -7.279 1.00 0.00 H new ATOM 0 HA VAL B 31 4.367 4.917 -8.273 1.00 0.00 H new ATOM 0 HB VAL B 31 4.973 2.892 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.221 1.254 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.726 1.144 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.183 1.924 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.244 3.289 -11.302 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.260 4.179 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.856 4.804 -10.596 1.00 0.00 H new ATOM 1235 N ILE B 32 2.102 3.296 -6.523 1.00 0.00 N ATOM 1236 CA ILE B 32 0.820 3.479 -5.854 1.00 0.00 C ATOM 1237 C ILE B 32 0.945 4.625 -4.835 1.00 0.00 C ATOM 1238 O ILE B 32 -0.021 5.351 -4.621 1.00 0.00 O ATOM 1239 CB ILE B 32 0.325 2.133 -5.267 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.081 1.088 -6.390 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.986 2.344 -4.494 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.038 -0.377 -5.937 1.00 0.00 C ATOM 0 H ILE B 32 2.548 2.399 -6.328 1.00 0.00 H new ATOM 0 HA ILE B 32 0.044 3.781 -6.558 1.00 0.00 H new ATOM 0 HB ILE B 32 1.099 1.760 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.833 1.359 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE B 32 0.897 1.160 -7.109 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.325 1.392 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.819 3.049 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.746 2.741 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.207 -1.014 -6.805 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.883 -0.680 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.875 -0.477 -5.245 1.00 0.00 H new ATOM 1254 N ALA B 33 2.122 4.843 -4.235 1.00 0.00 N ATOM 1255 CA ALA B 33 2.369 5.907 -3.276 1.00 0.00 C ATOM 1256 C ALA B 33 2.690 7.235 -3.984 1.00 0.00 C ATOM 1257 O ALA B 33 3.137 8.185 -3.333 1.00 0.00 O ATOM 1258 CB ALA B 33 3.511 5.510 -2.340 1.00 0.00 C ATOM 0 H ALA B 33 2.944 4.266 -4.413 1.00 0.00 H new ATOM 0 HA ALA B 33 1.462 6.056 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.690 6.312 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.243 4.599 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.415 5.335 -2.923 1.00 0.00 H new ATOM 1264 N HIS B 34 2.483 7.330 -5.303 1.00 0.00 N ATOM 1265 CA HIS B 34 2.757 8.509 -6.122 1.00 0.00 C ATOM 1266 C HIS B 34 4.266 8.827 -6.133 1.00 0.00 C ATOM 1267 O HIS B 34 4.653 9.984 -6.302 1.00 0.00 O ATOM 1268 CB HIS B 34 1.848 9.699 -5.738 1.00 0.00 C ATOM 1269 CG HIS B 34 0.363 9.409 -5.731 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.591 10.047 -4.965 1.00 0.00 N ATOM 1271 CD2 HIS B 34 -0.285 8.472 -6.488 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.787 9.513 -5.266 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.655 8.559 -6.202 1.00 0.00 N ATOM 0 H HIS B 34 2.105 6.555 -5.847 1.00 0.00 H new ATOM 0 HA HIS B 34 2.495 8.290 -7.157 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.137 10.049 -4.747 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.037 10.517 -6.433 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.177 7.786 -7.183 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.724 9.810 -4.818 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -2.403 8.007 -6.622 1.00 0.00 H new ATOM 1281 N ASN B 35 5.111 7.809 -5.930 1.00 0.00 N ATOM 1282 CA ASN B 35 6.581 7.761 -5.866 1.00 0.00 C ATOM 1283 C ASN B 35 7.121 8.142 -4.479 1.00 0.00 C ATOM 1284 O ASN B 35 8.335 8.265 -4.303 1.00 0.00 O ATOM 1285 CB ASN B 35 7.289 8.561 -6.976 1.00 0.00 C ATOM 1286 CG ASN B 35 6.889 8.144 -8.387 1.00 0.00 C ATOM 1287 OD1 ASN B 35 6.900 6.965 -8.752 1.00 0.00 O ATOM 1288 ND2 ASN B 35 6.540 9.106 -9.225 1.00 0.00 N ATOM 0 H ASN B 35 4.730 6.874 -5.788 1.00 0.00 H new ATOM 0 HA ASN B 35 6.826 6.715 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.069 9.620 -6.844 1.00 0.00 H new ATOM 0 HB3 ASN B 35 8.367 8.443 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN B 35 6.276 8.877 -10.183 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.534 10.077 -8.913 1.00 0.00 H new ATOM 1295 N ASN B 36 6.245 8.351 -3.489 1.00 0.00 N ATOM 1296 CA ASN B 36 6.651 8.726 -2.137 1.00 0.00 C ATOM 1297 C ASN B 36 7.279 7.515 -1.438 1.00 0.00 C ATOM 1298 O ASN B 36 6.564 6.585 -1.064 1.00 0.00 O ATOM 1299 CB ASN B 36 5.439 9.259 -1.362 1.00 0.00 C ATOM 1300 CG ASN B 36 5.791 9.751 0.039 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.727 9.287 0.680 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.020 10.678 0.583 1.00 0.00 N ATOM 0 H ASN B 36 5.236 8.264 -3.607 1.00 0.00 H new ATOM 0 HA ASN B 36 7.398 9.519 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN B 36 4.987 10.076 -1.924 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.689 8.471 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.206 11.003 1.532 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.240 11.067 0.054 1.00 0.00 H new ATOM 1309 N ILE B 37 8.600 7.519 -1.245 1.00 0.00 N ATOM 1310 CA ILE B 37 9.336 6.430 -0.602 1.00 0.00 C ATOM 1311 C ILE B 37 8.893 6.177 0.843 1.00 0.00 C ATOM 1312 O ILE B 37 8.846 5.025 1.258 1.00 0.00 O ATOM 1313 CB ILE B 37 10.860 6.681 -0.721 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.743 5.512 -0.224 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.322 7.960 0.002 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.765 4.283 -1.143 1.00 0.00 C ATOM 0 H ILE B 37 9.198 8.293 -1.536 1.00 0.00 H new ATOM 0 HA ILE B 37 9.098 5.508 -1.133 1.00 0.00 H new ATOM 0 HB ILE B 37 11.000 6.789 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.764 5.874 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.393 5.205 0.761 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.399 8.078 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.812 8.824 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.083 7.885 1.063 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.410 3.518 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.754 3.889 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.147 4.568 -2.123 1.00 0.00 H new ATOM 1328 N GLU B 38 8.595 7.206 1.635 1.00 0.00 N ATOM 1329 CA GLU B 38 8.182 7.037 3.033 1.00 0.00 C ATOM 1330 C GLU B 38 6.809 6.372 3.094 1.00 0.00 C ATOM 1331 O GLU B 38 6.590 5.420 3.848 1.00 0.00 O ATOM 1332 CB GLU B 38 8.189 8.384 3.774 1.00 0.00 C ATOM 1333 CG GLU B 38 9.604 8.989 3.741 1.00 0.00 C ATOM 1334 CD GLU B 38 9.786 10.185 4.674 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.177 9.985 5.855 1.00 0.00 O ATOM 1336 OE2 GLU B 38 9.664 11.330 4.182 1.00 0.00 O ATOM 0 H GLU B 38 8.632 8.179 1.330 1.00 0.00 H new ATOM 0 HA GLU B 38 8.898 6.388 3.536 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.480 9.069 3.309 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.867 8.244 4.806 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.325 8.217 4.010 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.833 9.298 2.721 1.00 0.00 H new ATOM 1343 N MET B 39 5.893 6.858 2.264 1.00 0.00 N ATOM 1344 CA MET B 39 4.539 6.349 2.157 1.00 0.00 C ATOM 1345 C MET B 39 4.616 4.900 1.678 1.00 0.00 C ATOM 1346 O MET B 39 3.975 4.029 2.260 1.00 0.00 O ATOM 1347 CB MET B 39 3.786 7.271 1.206 1.00 0.00 C ATOM 1348 CG MET B 39 2.270 7.156 1.203 1.00 0.00 C ATOM 1349 SD MET B 39 1.524 8.627 0.434 1.00 0.00 S ATOM 1350 CE MET B 39 -0.250 8.372 0.712 1.00 0.00 C ATOM 0 H MET B 39 6.081 7.637 1.633 1.00 0.00 H new ATOM 0 HA MET B 39 4.002 6.340 3.105 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.049 8.300 1.450 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.144 7.082 0.194 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.968 6.261 0.659 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.905 7.047 2.224 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.813 9.169 0.225 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.549 7.410 0.296 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.456 8.384 1.782 1.00 0.00 H new ATOM 1360 N ALA B 40 5.450 4.620 0.670 1.00 0.00 N ATOM 1361 CA ALA B 40 5.642 3.283 0.135 1.00 0.00 C ATOM 1362 C ALA B 40 6.201 2.378 1.235 1.00 0.00 C ATOM 1363 O ALA B 40 5.701 1.272 1.428 1.00 0.00 O ATOM 1364 CB ALA B 40 6.581 3.331 -1.072 1.00 0.00 C ATOM 0 H ALA B 40 6.014 5.330 0.203 1.00 0.00 H new ATOM 0 HA ALA B 40 4.688 2.877 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.719 2.324 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.148 3.967 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.546 3.736 -0.767 1.00 0.00 H new ATOM 1370 N LYS B 41 7.210 2.838 1.988 1.00 0.00 N ATOM 1371 CA LYS B 41 7.821 2.082 3.083 1.00 0.00 C ATOM 1372 C LYS B 41 6.738 1.632 4.068 1.00 0.00 C ATOM 1373 O LYS B 41 6.826 0.502 4.550 1.00 0.00 O ATOM 1374 CB LYS B 41 8.916 2.910 3.784 1.00 0.00 C ATOM 1375 CG LYS B 41 10.299 2.851 3.112 1.00 0.00 C ATOM 1376 CD LYS B 41 11.294 3.775 3.834 1.00 0.00 C ATOM 1377 CE LYS B 41 12.668 3.764 3.150 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.736 4.341 3.996 1.00 0.00 N ATOM 0 H LYS B 41 7.628 3.758 1.849 1.00 0.00 H new ATOM 0 HA LYS B 41 8.305 1.195 2.674 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.593 3.950 3.828 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.012 2.562 4.813 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.671 1.827 3.124 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.214 3.146 2.066 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.902 4.792 3.850 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.400 3.458 4.871 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.931 2.739 2.890 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.608 4.324 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.511 4.683 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.351 5.134 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 14.098 3.612 4.644 1.00 0.00 H new ATOM 1392 N ASN B 42 5.721 2.463 4.344 1.00 0.00 N ATOM 1393 CA ASN B 42 4.635 2.090 5.256 1.00 0.00 C ATOM 1394 C ASN B 42 3.864 0.904 4.671 1.00 0.00 C ATOM 1395 O ASN B 42 3.541 -0.032 5.400 1.00 0.00 O ATOM 1396 CB ASN B 42 3.652 3.242 5.515 1.00 0.00 C ATOM 1397 CG ASN B 42 4.108 4.219 6.579 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.383 3.832 7.713 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.131 5.504 6.274 1.00 0.00 N ATOM 0 H ASN B 42 5.630 3.398 3.947 1.00 0.00 H new ATOM 0 HA ASN B 42 5.095 1.828 6.209 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.492 3.785 4.583 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.689 2.824 5.810 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.380 6.192 6.984 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.900 5.808 5.328 1.00 0.00 H new ATOM 1406 N ILE B 43 3.541 0.925 3.372 1.00 0.00 N ATOM 1407 CA ILE B 43 2.818 -0.170 2.713 1.00 0.00 C ATOM 1408 C ILE B 43 3.648 -1.439 2.930 1.00 0.00 C ATOM 1409 O ILE B 43 3.163 -2.450 3.439 1.00 0.00 O ATOM 1410 CB ILE B 43 2.562 0.114 1.205 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.912 1.500 0.982 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.659 -0.980 0.634 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.793 1.961 -0.472 1.00 0.00 C ATOM 0 H ILE B 43 3.773 1.699 2.750 1.00 0.00 H new ATOM 0 HA ILE B 43 1.824 -0.284 3.146 1.00 0.00 H new ATOM 0 HB ILE B 43 3.524 0.116 0.692 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.914 1.486 1.420 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.491 2.243 1.531 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.476 -0.786 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.146 -1.949 0.746 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.711 -0.986 1.171 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.323 2.944 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.786 2.018 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.185 1.249 -1.031 1.00 0.00 H new ATOM 1425 N LEU B 44 4.943 -1.349 2.635 1.00 0.00 N ATOM 1426 CA LEU B 44 5.941 -2.405 2.761 1.00 0.00 C ATOM 1427 C LEU B 44 6.331 -2.684 4.225 1.00 0.00 C ATOM 1428 O LEU B 44 7.465 -3.085 4.509 1.00 0.00 O ATOM 1429 CB LEU B 44 7.163 -2.032 1.907 1.00 0.00 C ATOM 1430 CG LEU B 44 6.841 -1.720 0.433 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.142 -1.364 -0.279 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.073 -2.856 -0.247 1.00 0.00 C ATOM 0 H LEU B 44 5.347 -0.482 2.280 1.00 0.00 H new ATOM 0 HA LEU B 44 5.509 -3.337 2.395 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.649 -1.164 2.351 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.880 -2.852 1.943 1.00 0.00 H new ATOM 0 HG LEU B 44 6.167 -0.865 0.378 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.935 -1.140 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.591 -0.492 0.197 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.832 -2.206 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU B 44 5.870 -2.588 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.670 -3.767 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.131 -3.023 0.276 1.00 0.00 H new ATOM 1444 N ARG B 45 5.429 -2.423 5.171 1.00 0.00 N ATOM 1445 CA ARG B 45 5.598 -2.627 6.603 1.00 0.00 C ATOM 1446 C ARG B 45 4.302 -3.150 7.220 1.00 0.00 C ATOM 1447 O ARG B 45 4.365 -4.013 8.101 1.00 0.00 O ATOM 1448 CB ARG B 45 6.090 -1.318 7.251 1.00 0.00 C ATOM 1449 CG ARG B 45 6.048 -1.353 8.785 1.00 0.00 C ATOM 1450 CD ARG B 45 7.163 -0.559 9.462 1.00 0.00 C ATOM 1451 NE ARG B 45 8.493 -1.134 9.180 1.00 0.00 N ATOM 1452 CZ ARG B 45 9.654 -0.494 9.355 1.00 0.00 C ATOM 1453 NH1 ARG B 45 9.670 0.676 9.983 1.00 0.00 N ATOM 1454 NH2 ARG B 45 10.790 -1.008 8.899 1.00 0.00 N ATOM 0 H ARG B 45 4.511 -2.042 4.942 1.00 0.00 H new ATOM 0 HA ARG B 45 6.356 -3.387 6.790 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.111 -1.120 6.926 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.476 -0.490 6.895 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.086 -0.964 9.120 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.105 -2.390 9.115 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.133 0.475 9.118 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.995 -0.542 10.539 1.00 0.00 H new ATOM 0 HE ARG B 45 8.529 -2.090 8.826 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.800 1.081 10.329 1.00 0.00 H new ATOM 0 HH12 ARG B 45 10.552 1.169 10.120 1.00 0.00 H new ATOM 0 HH21 ARG B 45 10.784 -1.902 8.408 1.00 0.00 H new ATOM 0 HH22 ARG B 45 11.668 -0.509 9.040 1.00 0.00 H new ATOM 1468 N GLU B 46 3.138 -2.694 6.754 1.00 0.00 N ATOM 1469 CA GLU B 46 1.846 -3.128 7.297 1.00 0.00 C ATOM 1470 C GLU B 46 1.180 -4.190 6.414 1.00 0.00 C ATOM 1471 O GLU B 46 0.282 -4.878 6.895 1.00 0.00 O ATOM 1472 CB GLU B 46 0.940 -1.914 7.592 1.00 0.00 C ATOM 1473 CG GLU B 46 1.759 -0.807 8.290 1.00 0.00 C ATOM 1474 CD GLU B 46 1.033 0.293 9.064 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.207 0.323 9.192 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.778 1.155 9.592 1.00 0.00 O ATOM 0 H GLU B 46 3.062 -2.018 5.994 1.00 0.00 H new ATOM 0 HA GLU B 46 2.024 -3.621 8.252 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.513 -1.533 6.664 1.00 0.00 H new ATOM 0 HB3 GLU B 46 0.106 -2.216 8.226 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.444 -1.296 8.983 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.368 -0.322 7.528 1.00 0.00 H new ATOM 1483 N PHE B 47 1.651 -4.353 5.169 1.00 0.00 N ATOM 1484 CA PHE B 47 1.156 -5.318 4.196 1.00 0.00 C ATOM 1485 C PHE B 47 2.259 -6.313 3.855 1.00 0.00 C ATOM 1486 O PHE B 47 2.204 -7.453 4.306 1.00 0.00 O ATOM 1487 CB PHE B 47 0.670 -4.628 2.918 1.00 0.00 C ATOM 1488 CG PHE B 47 -0.653 -3.918 3.038 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.828 -4.616 2.712 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -0.711 -2.553 3.375 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.063 -3.970 2.800 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -1.955 -1.913 3.475 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.128 -2.637 3.215 1.00 0.00 C ATOM 0 H PHE B 47 2.419 -3.789 4.805 1.00 0.00 H new ATOM 0 HA PHE B 47 0.308 -5.841 4.639 1.00 0.00 H new ATOM 0 HB2 PHE B 47 1.424 -3.907 2.604 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.594 -5.374 2.127 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.776 -5.647 2.395 1.00 0.00 H new ATOM 0 HD2 PHE B 47 0.199 -2.000 3.556 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.969 -4.501 2.547 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.009 -0.870 3.750 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.089 -2.160 3.337 1.00 0.00 H new ATOM 1503 N SER B 48 3.249 -5.901 3.053 1.00 0.00 N ATOM 1504 CA SER B 48 4.345 -6.779 2.661 1.00 0.00 C ATOM 1505 C SER B 48 5.143 -7.155 3.915 1.00 0.00 C ATOM 1506 O SER B 48 5.297 -6.338 4.833 1.00 0.00 O ATOM 1507 CB SER B 48 5.204 -6.098 1.584 1.00 0.00 C ATOM 1508 OG SER B 48 5.925 -7.050 0.835 1.00 0.00 O ATOM 0 H SER B 48 3.308 -4.960 2.664 1.00 0.00 H new ATOM 0 HA SER B 48 3.968 -7.700 2.217 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.566 -5.515 0.920 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.897 -5.400 2.054 1.00 0.00 H new ATOM 0 HG SER B 48 6.054 -6.719 -0.078 1.00 0.00 H new