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: A 39 MET CE :methyl -172:sc= -0.616 (180deg=-0.723) USER MOD Set 1.2: B 34 HIS : no HD1:sc= -0.0048 X(o=-1.8,f=-2.1) USER MOD Set 1.3: B 39 MET CE :methyl 167:sc= -1.15 (180deg=-1.42) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 27 GLN : amide:sc=-0.00432 X(o=-0.0043,f=-0.28) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 27 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.84) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.0774 (180deg=-0.301) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -24:sc= 0.483 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.09 (180deg=1.06) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.153 K(o=-0.15,f=-9.2!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 2.47 (180deg=2.03) USER MOD Single : A 42 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -161:sc= 0 (180deg=-0.65) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot -20:sc= 0.666 USER MOD Single : B 22 SER OG : rot 77:sc= 0.686 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.6) USER MOD Single : B 36 ASN : amide:sc= -0.158 K(o=-0.16,f=-8.4!) USER MOD Single : B 41 LYS NZ :NH3+ -165:sc= 2.46 (180deg=2.04) USER MOD Single : B 42 ASN : amide:sc= 1.1 K(o=1.1,f=-0.00057) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -16.029 8.624 2.104 1.00 0.00 N ATOM 84 CA LEU A 9 -15.160 7.463 2.038 1.00 0.00 C ATOM 85 C LEU A 9 -15.876 6.256 2.633 1.00 0.00 C ATOM 86 O LEU A 9 -15.652 5.156 2.140 1.00 0.00 O ATOM 87 CB LEU A 9 -13.822 7.705 2.760 1.00 0.00 C ATOM 88 CG LEU A 9 -12.799 8.548 1.973 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.151 10.034 1.932 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.406 8.390 2.593 1.00 0.00 C ATOM 0 HA LEU A 9 -14.929 7.272 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.024 8.200 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.372 6.740 2.993 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.816 8.176 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.392 10.572 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.122 10.165 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.190 10.427 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.688 8.988 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.429 8.728 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.110 7.342 2.559 1.00 0.00 H new ATOM 102 N SER A 10 -16.743 6.421 3.640 1.00 0.00 N ATOM 103 CA SER A 10 -17.464 5.301 4.237 1.00 0.00 C ATOM 104 C SER A 10 -18.277 4.547 3.182 1.00 0.00 C ATOM 105 O SER A 10 -18.251 3.316 3.155 1.00 0.00 O ATOM 106 CB SER A 10 -18.336 5.783 5.395 1.00 0.00 C ATOM 107 OG SER A 10 -17.512 6.324 6.411 1.00 0.00 O ATOM 0 H SER A 10 -16.960 7.326 4.057 1.00 0.00 H new ATOM 0 HA SER A 10 -16.738 4.597 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.042 6.536 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.924 4.955 5.791 1.00 0.00 H new ATOM 0 HG SER A 10 -18.070 6.635 7.154 1.00 0.00 H new ATOM 113 N SER A 11 -18.930 5.262 2.267 1.00 0.00 N ATOM 114 CA SER A 11 -19.713 4.632 1.215 1.00 0.00 C ATOM 115 C SER A 11 -18.793 3.877 0.237 1.00 0.00 C ATOM 116 O SER A 11 -19.228 2.916 -0.395 1.00 0.00 O ATOM 117 CB SER A 11 -20.593 5.692 0.544 1.00 0.00 C ATOM 118 OG SER A 11 -21.343 6.388 1.538 1.00 0.00 O ATOM 0 H SER A 11 -18.930 6.282 2.237 1.00 0.00 H new ATOM 0 HA SER A 11 -20.380 3.877 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.973 6.393 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.267 5.220 -0.171 1.00 0.00 H new ATOM 0 HG SER A 11 -21.904 7.067 1.109 1.00 0.00 H new ATOM 124 N GLU A 12 -17.522 4.281 0.100 1.00 0.00 N ATOM 125 CA GLU A 12 -16.559 3.612 -0.775 1.00 0.00 C ATOM 126 C GLU A 12 -16.040 2.350 -0.073 1.00 0.00 C ATOM 127 O GLU A 12 -15.719 1.374 -0.749 1.00 0.00 O ATOM 128 CB GLU A 12 -15.409 4.546 -1.181 1.00 0.00 C ATOM 129 CG GLU A 12 -15.835 5.679 -2.123 1.00 0.00 C ATOM 130 CD GLU A 12 -15.964 5.223 -3.584 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.728 4.284 -3.889 1.00 0.00 O ATOM 132 OE2 GLU A 12 -15.267 5.809 -4.449 1.00 0.00 O ATOM 0 H GLU A 12 -17.135 5.084 0.596 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.060 3.328 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.970 4.979 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.629 3.958 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.790 6.084 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.107 6.488 -2.063 1.00 0.00 H new ATOM 139 N ILE A 13 -15.960 2.337 1.268 1.00 0.00 N ATOM 140 CA ILE A 13 -15.523 1.165 2.033 1.00 0.00 C ATOM 141 C ILE A 13 -16.562 0.080 1.718 1.00 0.00 C ATOM 142 O ILE A 13 -16.196 -1.059 1.441 1.00 0.00 O ATOM 143 CB ILE A 13 -15.417 1.477 3.552 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.288 2.501 3.811 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.202 0.231 4.442 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.281 3.045 5.242 1.00 0.00 C ATOM 0 H ILE A 13 -16.197 3.141 1.849 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.520 0.841 1.756 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.384 1.893 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.326 2.032 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.394 3.332 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.139 0.536 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.039 -0.456 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.277 -0.267 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.465 3.758 5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.229 3.543 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.145 2.222 5.943 1.00 0.00 H new ATOM 158 N GLU A 14 -17.849 0.438 1.693 1.00 0.00 N ATOM 159 CA GLU A 14 -18.935 -0.489 1.391 1.00 0.00 C ATOM 160 C GLU A 14 -18.793 -1.016 -0.044 1.00 0.00 C ATOM 161 O GLU A 14 -19.052 -2.197 -0.303 1.00 0.00 O ATOM 162 CB GLU A 14 -20.293 0.198 1.616 1.00 0.00 C ATOM 163 CG GLU A 14 -20.473 0.551 3.098 1.00 0.00 C ATOM 164 CD GLU A 14 -21.820 1.197 3.403 1.00 0.00 C ATOM 165 OE1 GLU A 14 -22.104 2.325 2.940 1.00 0.00 O ATOM 166 OE2 GLU A 14 -22.579 0.609 4.206 1.00 0.00 O ATOM 0 H GLU A 14 -18.166 1.389 1.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.882 -1.344 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.356 1.102 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.099 -0.460 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.368 -0.354 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.675 1.228 3.403 1.00 0.00 H new ATOM 173 N ARG A 15 -18.359 -0.167 -0.990 1.00 0.00 N ATOM 174 CA ARG A 15 -18.175 -0.578 -2.387 1.00 0.00 C ATOM 175 C ARG A 15 -17.007 -1.563 -2.467 1.00 0.00 C ATOM 176 O ARG A 15 -17.030 -2.491 -3.279 1.00 0.00 O ATOM 177 CB ARG A 15 -17.952 0.644 -3.302 1.00 0.00 C ATOM 178 CG ARG A 15 -19.099 1.677 -3.241 1.00 0.00 C ATOM 179 CD ARG A 15 -19.836 1.910 -4.559 1.00 0.00 C ATOM 180 NE ARG A 15 -20.515 0.697 -5.037 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.742 0.399 -6.319 1.00 0.00 C ATOM 182 NH1 ARG A 15 -20.463 1.257 -7.298 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.275 -0.771 -6.628 1.00 0.00 N ATOM 0 H ARG A 15 -18.129 0.810 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.079 -1.073 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.019 1.132 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.836 0.302 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.821 1.351 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.692 2.628 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.568 2.707 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.127 2.249 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.838 0.031 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.065 2.170 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.647 1.001 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.509 -1.436 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.453 -1.009 -7.604 1.00 0.00 H new ATOM 197 N LEU A 16 -15.975 -1.372 -1.639 1.00 0.00 N ATOM 198 CA LEU A 16 -14.807 -2.242 -1.583 1.00 0.00 C ATOM 199 C LEU A 16 -15.221 -3.583 -0.979 1.00 0.00 C ATOM 200 O LEU A 16 -14.866 -4.617 -1.545 1.00 0.00 O ATOM 201 CB LEU A 16 -13.663 -1.588 -0.789 1.00 0.00 C ATOM 202 CG LEU A 16 -12.914 -0.516 -1.603 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.091 0.380 -0.675 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.983 -1.166 -2.633 1.00 0.00 C ATOM 0 H LEU A 16 -15.932 -0.595 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.427 -2.409 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.067 -1.135 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.958 -2.358 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.657 0.087 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.568 1.132 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.754 0.873 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.365 -0.226 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.465 -0.390 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.252 -1.791 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.569 -1.780 -3.317 1.00 0.00 H new ATOM 216 N MET A 17 -16.006 -3.593 0.109 1.00 0.00 N ATOM 217 CA MET A 17 -16.470 -4.831 0.744 1.00 0.00 C ATOM 218 C MET A 17 -17.188 -5.714 -0.278 1.00 0.00 C ATOM 219 O MET A 17 -17.098 -6.939 -0.205 1.00 0.00 O ATOM 220 CB MET A 17 -17.463 -4.566 1.884 1.00 0.00 C ATOM 221 CG MET A 17 -16.893 -3.923 3.146 1.00 0.00 C ATOM 222 SD MET A 17 -18.087 -3.969 4.513 1.00 0.00 S ATOM 223 CE MET A 17 -17.097 -3.197 5.810 1.00 0.00 C ATOM 0 H MET A 17 -16.335 -2.745 0.570 1.00 0.00 H new ATOM 0 HA MET A 17 -15.581 -5.319 1.142 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.257 -3.924 1.503 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.925 -5.514 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.981 -4.442 3.440 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.618 -2.889 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.561 -3.379 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.093 -3.622 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.038 -2.123 5.632 1.00 0.00 H new ATOM 233 N SER A 18 -17.884 -5.099 -1.237 1.00 0.00 N ATOM 234 CA SER A 18 -18.623 -5.773 -2.291 1.00 0.00 C ATOM 235 C SER A 18 -17.723 -6.725 -3.094 1.00 0.00 C ATOM 236 O SER A 18 -18.174 -7.798 -3.490 1.00 0.00 O ATOM 237 CB SER A 18 -19.264 -4.698 -3.180 1.00 0.00 C ATOM 238 OG SER A 18 -20.528 -5.115 -3.635 1.00 0.00 O ATOM 0 H SER A 18 -17.947 -4.083 -1.297 1.00 0.00 H new ATOM 0 HA SER A 18 -19.402 -6.400 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 18 -19.363 -3.768 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 18 -18.616 -4.490 -4.032 1.00 0.00 H new ATOM 0 HG SER A 18 -20.920 -4.415 -4.198 1.00 0.00 H new ATOM 244 N GLN A 19 -16.455 -6.366 -3.332 1.00 0.00 N ATOM 245 CA GLN A 19 -15.500 -7.194 -4.078 1.00 0.00 C ATOM 246 C GLN A 19 -14.968 -8.368 -3.251 1.00 0.00 C ATOM 247 O GLN A 19 -14.333 -9.267 -3.802 1.00 0.00 O ATOM 248 CB GLN A 19 -14.340 -6.321 -4.582 1.00 0.00 C ATOM 249 CG GLN A 19 -14.805 -5.384 -5.703 1.00 0.00 C ATOM 250 CD GLN A 19 -13.724 -4.378 -6.074 1.00 0.00 C ATOM 251 OE1 GLN A 19 -12.849 -4.643 -6.895 1.00 0.00 O ATOM 252 NE2 GLN A 19 -13.777 -3.192 -5.492 1.00 0.00 N ATOM 0 H GLN A 19 -16.060 -5.483 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.032 -7.625 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.936 -5.734 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.533 -6.957 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.074 -5.971 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.703 -4.854 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.511 -2.990 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.084 -2.479 -5.722 1.00 0.00 H new ATOM 261 N GLY A 20 -15.234 -8.381 -1.946 1.00 0.00 N ATOM 262 CA GLY A 20 -14.803 -9.406 -1.010 1.00 0.00 C ATOM 263 C GLY A 20 -13.700 -8.890 -0.091 1.00 0.00 C ATOM 264 O GLY A 20 -13.406 -9.529 0.916 1.00 0.00 O ATOM 0 H GLY A 20 -15.779 -7.644 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.653 -9.736 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.444 -10.276 -1.560 1.00 0.00 H new ATOM 268 N TYR A 21 -13.131 -7.715 -0.393 1.00 0.00 N ATOM 269 CA TYR A 21 -12.073 -7.103 0.394 1.00 0.00 C ATOM 270 C TYR A 21 -12.493 -7.051 1.860 1.00 0.00 C ATOM 271 O TYR A 21 -13.585 -6.573 2.194 1.00 0.00 O ATOM 272 CB TYR A 21 -11.744 -5.701 -0.129 1.00 0.00 C ATOM 273 CG TYR A 21 -11.108 -5.630 -1.506 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.987 -6.425 -1.813 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.581 -4.704 -2.456 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.314 -6.254 -3.031 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.902 -4.519 -3.674 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.746 -5.278 -3.953 1.00 0.00 C ATOM 279 OH TYR A 21 -9.004 -5.019 -5.064 1.00 0.00 O ATOM 0 H TYR A 21 -13.403 -7.161 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.171 -7.708 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.664 -5.117 -0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.074 -5.219 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.645 -7.168 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.473 -4.131 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.460 -6.873 -3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.264 -3.799 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.072 -5.274 -4.902 1.00 0.00 H new ATOM 289 N SER A 22 -11.641 -7.574 2.734 1.00 0.00 N ATOM 290 CA SER A 22 -11.907 -7.610 4.158 1.00 0.00 C ATOM 291 C SER A 22 -11.790 -6.209 4.755 1.00 0.00 C ATOM 292 O SER A 22 -10.943 -5.410 4.350 1.00 0.00 O ATOM 293 CB SER A 22 -10.948 -8.599 4.817 1.00 0.00 C ATOM 294 OG SER A 22 -10.866 -9.795 4.052 1.00 0.00 O ATOM 0 H SER A 22 -10.746 -7.985 2.470 1.00 0.00 H new ATOM 0 HA SER A 22 -12.927 -7.948 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.959 -8.150 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.289 -8.828 5.827 1.00 0.00 H new ATOM 0 HG SER A 22 -10.247 -10.419 4.485 1.00 0.00 H new ATOM 300 N TYR A 23 -12.624 -5.921 5.749 1.00 0.00 N ATOM 301 CA TYR A 23 -12.683 -4.651 6.445 1.00 0.00 C ATOM 302 C TYR A 23 -11.327 -4.281 7.034 1.00 0.00 C ATOM 303 O TYR A 23 -10.906 -3.138 6.878 1.00 0.00 O ATOM 304 CB TYR A 23 -13.765 -4.720 7.526 1.00 0.00 C ATOM 305 CG TYR A 23 -13.930 -3.428 8.292 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.373 -2.270 7.629 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.619 -3.378 9.662 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.549 -1.076 8.341 1.00 0.00 C ATOM 309 CE2 TYR A 23 -13.760 -2.178 10.376 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.236 -1.023 9.718 1.00 0.00 C ATOM 311 OH TYR A 23 -14.383 0.137 10.416 1.00 0.00 O ATOM 0 H TYR A 23 -13.302 -6.596 6.102 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.942 -3.865 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.716 -4.983 7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.520 -5.520 8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.578 -2.301 6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.270 -4.267 10.167 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.924 -0.197 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.505 -2.138 11.425 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.123 -0.008 11.350 1.00 0.00 H new ATOM 321 N GLN A 24 -10.637 -5.232 7.679 1.00 0.00 N ATOM 322 CA GLN A 24 -9.324 -4.972 8.270 1.00 0.00 C ATOM 323 C GLN A 24 -8.384 -4.383 7.213 1.00 0.00 C ATOM 324 O GLN A 24 -7.726 -3.376 7.464 1.00 0.00 O ATOM 325 CB GLN A 24 -8.734 -6.245 8.910 1.00 0.00 C ATOM 326 CG GLN A 24 -9.593 -6.757 10.077 1.00 0.00 C ATOM 327 CD GLN A 24 -8.887 -7.816 10.925 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.018 -7.503 11.736 1.00 0.00 O ATOM 329 NE2 GLN A 24 -9.300 -9.067 10.857 1.00 0.00 N ATOM 0 H GLN A 24 -10.970 -6.188 7.803 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.440 -4.242 9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.650 -7.025 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.725 -6.037 9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.869 -5.916 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.519 -7.175 9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.021 -9.330 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.898 -9.771 11.476 1.00 0.00 H new ATOM 338 N ASP A 25 -8.366 -4.974 6.018 1.00 0.00 N ATOM 339 CA ASP A 25 -7.527 -4.538 4.910 1.00 0.00 C ATOM 340 C ASP A 25 -7.947 -3.158 4.434 1.00 0.00 C ATOM 341 O ASP A 25 -7.099 -2.289 4.266 1.00 0.00 O ATOM 342 CB ASP A 25 -7.613 -5.508 3.730 1.00 0.00 C ATOM 343 CG ASP A 25 -7.166 -6.921 4.071 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.145 -7.058 4.785 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.875 -7.845 3.630 1.00 0.00 O ATOM 0 H ASP A 25 -8.945 -5.783 5.793 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.501 -4.510 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.641 -5.538 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.999 -5.129 2.913 1.00 0.00 H new ATOM 350 N ILE A 26 -9.244 -2.924 4.218 1.00 0.00 N ATOM 351 CA ILE A 26 -9.743 -1.632 3.750 1.00 0.00 C ATOM 352 C ILE A 26 -9.293 -0.521 4.711 1.00 0.00 C ATOM 353 O ILE A 26 -8.775 0.513 4.271 1.00 0.00 O ATOM 354 CB ILE A 26 -11.273 -1.685 3.524 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.675 -2.729 2.453 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.757 -0.305 3.058 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.153 -3.138 2.542 1.00 0.00 C ATOM 0 H ILE A 26 -9.973 -3.622 4.362 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.312 -1.395 2.777 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.733 -1.974 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.475 -2.321 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.051 -3.615 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.835 -0.333 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.524 0.439 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.257 -0.039 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.375 -3.871 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.352 -3.574 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.783 -2.259 2.402 1.00 0.00 H new ATOM 369 N GLN A 27 -9.453 -0.748 6.016 1.00 0.00 N ATOM 370 CA GLN A 27 -9.062 0.194 7.053 1.00 0.00 C ATOM 371 C GLN A 27 -7.544 0.418 7.049 1.00 0.00 C ATOM 372 O GLN A 27 -7.108 1.571 7.137 1.00 0.00 O ATOM 373 CB GLN A 27 -9.545 -0.308 8.422 1.00 0.00 C ATOM 374 CG GLN A 27 -11.077 -0.328 8.546 1.00 0.00 C ATOM 375 CD GLN A 27 -11.702 1.054 8.404 1.00 0.00 C ATOM 376 OE1 GLN A 27 -12.306 1.366 7.386 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.616 1.901 9.413 1.00 0.00 N ATOM 0 H GLN A 27 -9.865 -1.606 6.382 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.533 1.155 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.159 -1.313 8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.131 0.329 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.490 -0.988 7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.353 -0.748 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.112 1.637 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.054 2.820 9.346 1.00 0.00 H new ATOM 386 N LYS A 28 -6.736 -0.650 6.969 1.00 0.00 N ATOM 387 CA LYS A 28 -5.270 -0.553 6.936 1.00 0.00 C ATOM 388 C LYS A 28 -4.844 0.257 5.715 1.00 0.00 C ATOM 389 O LYS A 28 -3.992 1.139 5.821 1.00 0.00 O ATOM 390 CB LYS A 28 -4.631 -1.948 6.796 1.00 0.00 C ATOM 391 CG LYS A 28 -4.585 -2.847 8.040 1.00 0.00 C ATOM 392 CD LYS A 28 -4.309 -4.280 7.552 1.00 0.00 C ATOM 393 CE LYS A 28 -3.909 -5.239 8.671 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.485 -6.540 8.112 1.00 0.00 N ATOM 0 H LYS A 28 -7.083 -1.608 6.925 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.946 -0.082 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.169 -2.485 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.609 -1.813 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.805 -2.516 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.528 -2.800 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.200 -4.664 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.515 -4.254 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.097 -4.806 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.749 -5.385 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.314 -7.212 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.232 -6.911 7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.610 -6.414 7.564 1.00 0.00 H new ATOM 408 N ALA A 29 -5.416 -0.051 4.549 1.00 0.00 N ATOM 409 CA ALA A 29 -5.095 0.631 3.313 1.00 0.00 C ATOM 410 C ALA A 29 -5.359 2.125 3.460 1.00 0.00 C ATOM 411 O ALA A 29 -4.513 2.912 3.056 1.00 0.00 O ATOM 412 CB ALA A 29 -5.870 0.022 2.141 1.00 0.00 C ATOM 0 H ALA A 29 -6.117 -0.785 4.445 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.035 0.500 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.614 0.549 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.608 -1.031 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.940 0.114 2.326 1.00 0.00 H new ATOM 418 N LEU A 30 -6.482 2.527 4.067 1.00 0.00 N ATOM 419 CA LEU A 30 -6.828 3.932 4.243 1.00 0.00 C ATOM 420 C LEU A 30 -5.841 4.689 5.118 1.00 0.00 C ATOM 421 O LEU A 30 -5.382 5.759 4.715 1.00 0.00 O ATOM 422 CB LEU A 30 -8.241 4.081 4.836 1.00 0.00 C ATOM 423 CG LEU A 30 -9.360 4.002 3.788 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.713 3.995 4.505 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.307 5.190 2.813 1.00 0.00 C ATOM 0 H LEU A 30 -7.174 1.882 4.449 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.791 4.371 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.397 3.301 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.309 5.037 5.356 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.226 3.087 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.515 3.939 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.769 3.132 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.820 4.909 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.114 5.100 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.421 6.121 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.349 5.192 2.293 1.00 0.00 H new ATOM 437 N VAL A 31 -5.529 4.175 6.308 1.00 0.00 N ATOM 438 CA VAL A 31 -4.610 4.852 7.217 1.00 0.00 C ATOM 439 C VAL A 31 -3.218 5.001 6.588 1.00 0.00 C ATOM 440 O VAL A 31 -2.633 6.087 6.635 1.00 0.00 O ATOM 441 CB VAL A 31 -4.679 4.185 8.609 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.131 2.759 8.687 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.997 5.024 9.691 1.00 0.00 C ATOM 0 H VAL A 31 -5.900 3.293 6.663 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.911 5.886 7.388 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.752 4.124 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.228 2.387 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.694 2.115 8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.080 2.757 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.073 4.512 10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.946 5.162 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.485 5.996 9.759 1.00 0.00 H new ATOM 453 N ILE A 32 -2.706 3.954 5.935 1.00 0.00 N ATOM 454 CA ILE A 32 -1.392 3.989 5.293 1.00 0.00 C ATOM 455 C ILE A 32 -1.436 4.877 4.051 1.00 0.00 C ATOM 456 O ILE A 32 -0.456 5.553 3.755 1.00 0.00 O ATOM 457 CB ILE A 32 -0.923 2.557 4.976 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.834 1.692 6.257 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.447 2.616 4.283 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.776 0.182 6.031 1.00 0.00 C ATOM 0 H ILE A 32 -3.190 3.062 5.837 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.662 4.426 5.974 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.655 2.092 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.053 1.992 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.697 1.915 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.784 1.604 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.363 3.186 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.168 3.099 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.715 -0.328 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.674 -0.142 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.103 -0.063 5.434 1.00 0.00 H new ATOM 472 N ALA A 33 -2.558 4.921 3.334 1.00 0.00 N ATOM 473 CA ALA A 33 -2.710 5.755 2.153 1.00 0.00 C ATOM 474 C ALA A 33 -2.888 7.233 2.544 1.00 0.00 C ATOM 475 O ALA A 33 -3.190 8.053 1.674 1.00 0.00 O ATOM 476 CB ALA A 33 -3.892 5.267 1.319 1.00 0.00 C ATOM 0 H ALA A 33 -3.389 4.374 3.561 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.804 5.678 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.999 5.897 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.719 4.236 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.804 5.319 1.914 1.00 0.00 H new ATOM 482 N HIS A 34 -2.693 7.594 3.818 1.00 0.00 N ATOM 483 CA HIS A 34 -2.844 8.937 4.355 1.00 0.00 C ATOM 484 C HIS A 34 -4.273 9.415 4.072 1.00 0.00 C ATOM 485 O HIS A 34 -4.485 10.507 3.550 1.00 0.00 O ATOM 486 CB HIS A 34 -1.735 9.896 3.871 1.00 0.00 C ATOM 487 CG HIS A 34 -0.361 9.693 4.475 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.582 10.686 4.624 1.00 0.00 N ATOM 489 CD2 HIS A 34 0.178 8.546 4.999 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.658 10.153 5.218 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.463 8.847 5.462 1.00 0.00 N ATOM 0 H HIS A 34 -2.412 6.920 4.530 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.707 8.925 5.436 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.650 9.802 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.052 10.918 4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.304 7.581 5.046 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.557 10.698 5.466 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.122 8.202 5.899 1.00 0.00 H new ATOM 499 N ASN A 35 -5.257 8.583 4.436 1.00 0.00 N ATOM 500 CA ASN A 35 -6.692 8.808 4.291 1.00 0.00 C ATOM 501 C ASN A 35 -7.099 9.176 2.862 1.00 0.00 C ATOM 502 O ASN A 35 -7.876 10.107 2.657 1.00 0.00 O ATOM 503 CB ASN A 35 -7.190 9.787 5.372 1.00 0.00 C ATOM 504 CG ASN A 35 -7.246 9.105 6.730 1.00 0.00 C ATOM 505 OD1 ASN A 35 -6.241 8.983 7.432 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.408 8.622 7.131 1.00 0.00 N ATOM 0 H ASN A 35 -5.055 7.680 4.866 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.208 7.864 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.527 10.651 5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.179 10.159 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.479 8.143 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.235 8.728 6.543 1.00 0.00 H new ATOM 513 N ASN A 36 -6.590 8.435 1.874 1.00 0.00 N ATOM 514 CA ASN A 36 -6.875 8.630 0.454 1.00 0.00 C ATOM 515 C ASN A 36 -7.473 7.336 -0.087 1.00 0.00 C ATOM 516 O ASN A 36 -6.801 6.304 -0.082 1.00 0.00 O ATOM 517 CB ASN A 36 -5.597 9.019 -0.295 1.00 0.00 C ATOM 518 CG ASN A 36 -5.852 9.301 -1.770 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.663 8.650 -2.415 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.136 10.241 -2.350 1.00 0.00 N ATOM 0 H ASN A 36 -5.949 7.660 2.048 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.587 9.443 0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.161 9.902 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.866 8.216 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.255 10.432 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.462 10.779 -1.804 1.00 0.00 H new ATOM 527 N ILE A 37 -8.740 7.378 -0.504 1.00 0.00 N ATOM 528 CA ILE A 37 -9.467 6.229 -1.034 1.00 0.00 C ATOM 529 C ILE A 37 -8.886 5.712 -2.356 1.00 0.00 C ATOM 530 O ILE A 37 -8.817 4.502 -2.538 1.00 0.00 O ATOM 531 CB ILE A 37 -10.974 6.570 -1.129 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.854 5.376 -1.564 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.273 7.767 -2.051 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.045 4.309 -0.479 1.00 0.00 C ATOM 0 H ILE A 37 -9.299 8.231 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.347 5.397 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.237 6.839 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.832 5.751 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.407 4.910 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.347 7.951 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.760 8.653 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.923 7.546 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.674 3.507 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.075 3.904 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.522 4.757 0.392 1.00 0.00 H new ATOM 546 N GLU A 38 -8.480 6.576 -3.285 1.00 0.00 N ATOM 547 CA GLU A 38 -7.925 6.165 -4.579 1.00 0.00 C ATOM 548 C GLU A 38 -6.573 5.484 -4.396 1.00 0.00 C ATOM 549 O GLU A 38 -6.280 4.455 -5.010 1.00 0.00 O ATOM 550 CB GLU A 38 -7.796 7.375 -5.515 1.00 0.00 C ATOM 551 CG GLU A 38 -9.144 8.047 -5.805 1.00 0.00 C ATOM 552 CD GLU A 38 -10.157 7.085 -6.438 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.003 6.726 -7.629 1.00 0.00 O ATOM 554 OE2 GLU A 38 -11.157 6.707 -5.783 1.00 0.00 O ATOM 0 H GLU A 38 -8.526 7.588 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.609 5.447 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.120 8.104 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.345 7.056 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.556 8.443 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.987 8.895 -6.472 1.00 0.00 H new ATOM 561 N MET A 39 -5.740 6.059 -3.535 1.00 0.00 N ATOM 562 CA MET A 39 -4.425 5.518 -3.240 1.00 0.00 C ATOM 563 C MET A 39 -4.628 4.168 -2.542 1.00 0.00 C ATOM 564 O MET A 39 -3.981 3.187 -2.902 1.00 0.00 O ATOM 565 CB MET A 39 -3.651 6.571 -2.443 1.00 0.00 C ATOM 566 CG MET A 39 -2.129 6.428 -2.454 1.00 0.00 C ATOM 567 SD MET A 39 -1.297 8.039 -2.264 1.00 0.00 S ATOM 568 CE MET A 39 0.452 7.587 -2.397 1.00 0.00 C ATOM 0 H MET A 39 -5.961 6.913 -3.024 1.00 0.00 H new ATOM 0 HA MET A 39 -3.818 5.313 -4.122 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.907 7.556 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.992 6.540 -1.408 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.821 5.762 -1.648 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.814 5.964 -3.389 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.071 8.452 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.673 6.779 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.667 7.258 -3.414 1.00 0.00 H new ATOM 578 N ALA A 40 -5.579 4.080 -1.602 1.00 0.00 N ATOM 579 CA ALA A 40 -5.879 2.848 -0.883 1.00 0.00 C ATOM 580 C ALA A 40 -6.454 1.778 -1.826 1.00 0.00 C ATOM 581 O ALA A 40 -6.091 0.607 -1.711 1.00 0.00 O ATOM 582 CB ALA A 40 -6.843 3.151 0.263 1.00 0.00 C ATOM 0 H ALA A 40 -6.161 4.869 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.954 2.445 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.068 2.231 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.384 3.867 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.765 3.571 -0.139 1.00 0.00 H new ATOM 588 N LYS A 41 -7.319 2.158 -2.780 1.00 0.00 N ATOM 589 CA LYS A 41 -7.921 1.242 -3.758 1.00 0.00 C ATOM 590 C LYS A 41 -6.795 0.516 -4.485 1.00 0.00 C ATOM 591 O LYS A 41 -6.881 -0.701 -4.654 1.00 0.00 O ATOM 592 CB LYS A 41 -8.811 1.997 -4.770 1.00 0.00 C ATOM 593 CG LYS A 41 -10.267 2.223 -4.322 1.00 0.00 C ATOM 594 CD LYS A 41 -10.953 3.274 -5.212 1.00 0.00 C ATOM 595 CE LYS A 41 -12.428 3.497 -4.853 1.00 0.00 C ATOM 596 NZ LYS A 41 -12.996 4.648 -5.590 1.00 0.00 N ATOM 0 H LYS A 41 -7.623 3.125 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.561 0.531 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.357 2.966 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.818 1.442 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.817 1.283 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.286 2.551 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.417 4.219 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.882 2.961 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.000 2.598 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.521 3.668 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.912 4.910 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.343 5.456 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.133 4.388 -6.588 1.00 0.00 H new ATOM 610 N ASN A 42 -5.744 1.239 -4.893 1.00 0.00 N ATOM 611 CA ASN A 42 -4.601 0.652 -5.585 1.00 0.00 C ATOM 612 C ASN A 42 -3.914 -0.391 -4.706 1.00 0.00 C ATOM 613 O ASN A 42 -3.535 -1.439 -5.222 1.00 0.00 O ATOM 614 CB ASN A 42 -3.571 1.715 -6.000 1.00 0.00 C ATOM 615 CG ASN A 42 -3.837 2.366 -7.346 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.866 2.153 -7.982 1.00 0.00 O ATOM 617 ND2 ASN A 42 -2.905 3.173 -7.814 1.00 0.00 N ATOM 0 H ASN A 42 -5.667 2.246 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.990 0.177 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.543 2.492 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.583 1.254 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.033 3.631 -8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.056 3.339 -7.274 1.00 0.00 H new ATOM 624 N ILE A 43 -3.743 -0.134 -3.403 1.00 0.00 N ATOM 625 CA ILE A 43 -3.100 -1.082 -2.487 1.00 0.00 C ATOM 626 C ILE A 43 -3.892 -2.386 -2.521 1.00 0.00 C ATOM 627 O ILE A 43 -3.324 -3.452 -2.759 1.00 0.00 O ATOM 628 CB ILE A 43 -2.964 -0.516 -1.050 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.166 0.806 -1.084 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.278 -1.553 -0.145 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.025 1.545 0.245 1.00 0.00 C ATOM 0 H ILE A 43 -4.045 0.732 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.077 -1.267 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.953 -0.309 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.167 0.593 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.644 1.476 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.185 -1.151 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.875 -2.464 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.287 -1.780 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.446 2.456 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.014 1.802 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.514 0.905 0.965 1.00 0.00 H new ATOM 643 N LEU A 44 -5.209 -2.295 -2.329 1.00 0.00 N ATOM 644 CA LEU A 44 -6.094 -3.452 -2.331 1.00 0.00 C ATOM 645 C LEU A 44 -6.132 -4.141 -3.696 1.00 0.00 C ATOM 646 O LEU A 44 -6.494 -5.308 -3.764 1.00 0.00 O ATOM 647 CB LEU A 44 -7.513 -3.033 -1.916 1.00 0.00 C ATOM 648 CG LEU A 44 -7.613 -2.430 -0.503 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.035 -1.914 -0.290 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.251 -3.445 0.587 1.00 0.00 C ATOM 0 H LEU A 44 -5.690 -1.410 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.699 -4.168 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.888 -2.305 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.167 -3.903 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.895 -1.613 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.120 -1.484 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.260 -1.151 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.740 -2.739 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.336 -2.973 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.931 -4.295 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.228 -3.789 0.438 1.00 0.00 H new ATOM 662 N ARG A 45 -5.803 -3.450 -4.790 1.00 0.00 N ATOM 663 CA ARG A 45 -5.800 -4.017 -6.138 1.00 0.00 C ATOM 664 C ARG A 45 -4.552 -4.862 -6.397 1.00 0.00 C ATOM 665 O ARG A 45 -4.582 -5.689 -7.303 1.00 0.00 O ATOM 666 CB ARG A 45 -5.868 -2.859 -7.150 1.00 0.00 C ATOM 667 CG ARG A 45 -6.196 -3.253 -8.592 1.00 0.00 C ATOM 668 CD ARG A 45 -7.629 -3.773 -8.765 1.00 0.00 C ATOM 669 NE ARG A 45 -7.971 -3.883 -10.191 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.670 -3.019 -10.940 1.00 0.00 C ATOM 671 NH1 ARG A 45 -9.267 -1.950 -10.417 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.768 -3.243 -12.243 1.00 0.00 N ATOM 0 H ARG A 45 -5.528 -2.468 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.662 -4.675 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.619 -2.146 -6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.910 -2.340 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.049 -2.389 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.496 -4.021 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.729 -4.747 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.328 -3.100 -8.269 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.635 -4.719 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.200 -1.767 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.791 -1.314 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.317 -4.059 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.295 -2.599 -12.833 1.00 0.00 H new ATOM 686 N GLU A 46 -3.486 -4.675 -5.616 1.00 0.00 N ATOM 687 CA GLU A 46 -2.229 -5.398 -5.783 1.00 0.00 C ATOM 688 C GLU A 46 -1.880 -6.330 -4.616 1.00 0.00 C ATOM 689 O GLU A 46 -1.515 -7.483 -4.862 1.00 0.00 O ATOM 690 CB GLU A 46 -1.095 -4.384 -6.025 1.00 0.00 C ATOM 691 CG GLU A 46 -1.212 -3.623 -7.365 1.00 0.00 C ATOM 692 CD GLU A 46 -1.020 -4.491 -8.614 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.583 -5.655 -8.498 1.00 0.00 O ATOM 694 OE2 GLU A 46 -1.254 -3.972 -9.737 1.00 0.00 O ATOM 0 H GLU A 46 -3.474 -4.010 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.352 -6.053 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.085 -3.662 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.140 -4.908 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.193 -3.151 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.472 -2.823 -7.378 1.00 0.00 H new ATOM 701 N PHE A 47 -1.941 -5.861 -3.366 1.00 0.00 N ATOM 702 CA PHE A 47 -1.606 -6.680 -2.196 1.00 0.00 C ATOM 703 C PHE A 47 -2.770 -7.548 -1.719 1.00 0.00 C ATOM 704 O PHE A 47 -2.574 -8.427 -0.878 1.00 0.00 O ATOM 705 CB PHE A 47 -1.046 -5.799 -1.068 1.00 0.00 C ATOM 706 CG PHE A 47 0.345 -5.292 -1.383 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.466 -6.061 -1.013 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.515 -4.110 -2.128 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.753 -5.672 -1.419 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.802 -3.712 -2.525 1.00 0.00 C ATOM 711 CZ PHE A 47 2.913 -4.500 -2.181 1.00 0.00 C ATOM 0 H PHE A 47 -2.222 -4.908 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.829 -7.380 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.712 -4.952 -0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.022 -6.370 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.335 -6.951 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.343 -3.510 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.613 -6.267 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.937 -2.803 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.900 -4.203 -2.505 1.00 0.00 H new ATOM 721 N SER A 48 -3.981 -7.287 -2.202 1.00 0.00 N ATOM 722 CA SER A 48 -5.168 -8.043 -1.862 1.00 0.00 C ATOM 723 C SER A 48 -5.878 -8.382 -3.172 1.00 0.00 C ATOM 724 O SER A 48 -5.441 -7.990 -4.256 1.00 0.00 O ATOM 725 CB SER A 48 -6.047 -7.289 -0.855 1.00 0.00 C ATOM 726 OG SER A 48 -6.845 -8.231 -0.159 1.00 0.00 O ATOM 0 H SER A 48 -4.162 -6.525 -2.855 1.00 0.00 H new ATOM 0 HA SER A 48 -4.913 -8.971 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.426 -6.729 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.678 -6.566 -1.371 1.00 0.00 H new ATOM 0 HG SER A 48 -7.411 -7.764 0.490 1.00 0.00 H new ATOM 865 N LEU B 9 16.808 6.320 -3.216 1.00 0.00 N ATOM 866 CA LEU B 9 15.824 5.311 -2.836 1.00 0.00 C ATOM 867 C LEU B 9 16.206 3.910 -3.317 1.00 0.00 C ATOM 868 O LEU B 9 15.661 2.938 -2.795 1.00 0.00 O ATOM 869 CB LEU B 9 14.413 5.707 -3.300 1.00 0.00 C ATOM 870 CG LEU B 9 13.714 6.641 -2.292 1.00 0.00 C ATOM 871 CD1 LEU B 9 14.336 8.040 -2.240 1.00 0.00 C ATOM 872 CD2 LEU B 9 12.235 6.769 -2.650 1.00 0.00 C ATOM 0 HA LEU B 9 15.817 5.270 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.476 6.202 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.812 4.809 -3.439 1.00 0.00 H new ATOM 0 HG LEU B 9 13.840 6.190 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.800 8.650 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU B 9 15.383 7.962 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU B 9 14.268 8.505 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU B 9 11.744 7.430 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.138 7.183 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.766 5.786 -2.617 1.00 0.00 H new ATOM 884 N SER B 10 17.124 3.768 -4.282 1.00 0.00 N ATOM 885 CA SER B 10 17.540 2.444 -4.741 1.00 0.00 C ATOM 886 C SER B 10 18.181 1.699 -3.562 1.00 0.00 C ATOM 887 O SER B 10 17.957 0.503 -3.396 1.00 0.00 O ATOM 888 CB SER B 10 18.502 2.546 -5.927 1.00 0.00 C ATOM 889 OG SER B 10 17.948 3.361 -6.945 1.00 0.00 O ATOM 0 H SER B 10 17.586 4.546 -4.753 1.00 0.00 H new ATOM 0 HA SER B 10 16.671 1.888 -5.092 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.453 2.963 -5.597 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.709 1.551 -6.322 1.00 0.00 H new ATOM 0 HG SER B 10 18.575 3.418 -7.696 1.00 0.00 H new ATOM 895 N SER B 11 18.930 2.412 -2.715 1.00 0.00 N ATOM 896 CA SER B 11 19.585 1.862 -1.542 1.00 0.00 C ATOM 897 C SER B 11 18.525 1.414 -0.525 1.00 0.00 C ATOM 898 O SER B 11 18.676 0.386 0.134 1.00 0.00 O ATOM 899 CB SER B 11 20.507 2.945 -0.971 1.00 0.00 C ATOM 900 OG SER B 11 21.406 3.413 -1.969 1.00 0.00 O ATOM 0 H SER B 11 19.097 3.411 -2.836 1.00 0.00 H new ATOM 0 HA SER B 11 20.182 0.985 -1.793 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.911 3.775 -0.592 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.068 2.545 -0.127 1.00 0.00 H new ATOM 0 HG SER B 11 21.986 4.105 -1.588 1.00 0.00 H new ATOM 906 N GLU B 12 17.407 2.141 -0.417 1.00 0.00 N ATOM 907 CA GLU B 12 16.342 1.791 0.512 1.00 0.00 C ATOM 908 C GLU B 12 15.651 0.486 0.106 1.00 0.00 C ATOM 909 O GLU B 12 15.152 -0.217 0.988 1.00 0.00 O ATOM 910 CB GLU B 12 15.312 2.921 0.624 1.00 0.00 C ATOM 911 CG GLU B 12 15.815 4.146 1.391 1.00 0.00 C ATOM 912 CD GLU B 12 16.130 3.797 2.845 1.00 0.00 C ATOM 913 OE1 GLU B 12 15.278 3.219 3.556 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.275 4.011 3.300 1.00 0.00 O ATOM 0 H GLU B 12 17.222 2.979 -0.968 1.00 0.00 H new ATOM 0 HA GLU B 12 16.803 1.644 1.489 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.015 3.229 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.419 2.537 1.117 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.709 4.540 0.907 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.062 4.933 1.358 1.00 0.00 H new ATOM 921 N ILE B 13 15.595 0.157 -1.192 1.00 0.00 N ATOM 922 CA ILE B 13 14.983 -1.084 -1.673 1.00 0.00 C ATOM 923 C ILE B 13 15.796 -2.243 -1.086 1.00 0.00 C ATOM 924 O ILE B 13 15.231 -3.225 -0.616 1.00 0.00 O ATOM 925 CB ILE B 13 14.944 -1.113 -3.227 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.937 -0.066 -3.754 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.626 -2.505 -3.817 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.034 0.190 -5.261 1.00 0.00 C ATOM 0 H ILE B 13 15.973 0.745 -1.935 1.00 0.00 H new ATOM 0 HA ILE B 13 13.945 -1.165 -1.349 1.00 0.00 H new ATOM 0 HB ILE B 13 15.951 -0.865 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.926 -0.398 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.096 0.874 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.616 -2.445 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.387 -3.217 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.650 -2.836 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.295 0.936 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.032 0.554 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.844 -0.738 -5.801 1.00 0.00 H new ATOM 940 N GLU B 14 17.122 -2.117 -1.068 1.00 0.00 N ATOM 941 CA GLU B 14 18.032 -3.132 -0.554 1.00 0.00 C ATOM 942 C GLU B 14 17.824 -3.315 0.946 1.00 0.00 C ATOM 943 O GLU B 14 17.782 -4.446 1.436 1.00 0.00 O ATOM 944 CB GLU B 14 19.478 -2.751 -0.894 1.00 0.00 C ATOM 945 CG GLU B 14 19.635 -2.564 -2.411 1.00 0.00 C ATOM 946 CD GLU B 14 20.995 -2.030 -2.826 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.654 -1.248 -2.087 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.379 -2.334 -3.980 1.00 0.00 O ATOM 0 H GLU B 14 17.601 -1.288 -1.419 1.00 0.00 H new ATOM 0 HA GLU B 14 17.821 -4.090 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.751 -1.831 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.158 -3.527 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.465 -3.521 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.863 -1.880 -2.765 1.00 0.00 H new ATOM 955 N ARG B 15 17.639 -2.214 1.691 1.00 0.00 N ATOM 956 CA ARG B 15 17.415 -2.332 3.133 1.00 0.00 C ATOM 957 C ARG B 15 16.107 -3.086 3.381 1.00 0.00 C ATOM 958 O ARG B 15 15.992 -3.775 4.398 1.00 0.00 O ATOM 959 CB ARG B 15 17.475 -0.974 3.846 1.00 0.00 C ATOM 960 CG ARG B 15 18.816 -0.250 3.623 1.00 0.00 C ATOM 961 CD ARG B 15 19.151 0.745 4.738 1.00 0.00 C ATOM 962 NE ARG B 15 18.109 1.774 4.915 1.00 0.00 N ATOM 963 CZ ARG B 15 17.543 2.159 6.064 1.00 0.00 C ATOM 964 NH1 ARG B 15 17.866 1.606 7.225 1.00 0.00 N ATOM 965 NH2 ARG B 15 16.621 3.106 6.041 1.00 0.00 N ATOM 0 H ARG B 15 17.640 -1.260 1.329 1.00 0.00 H new ATOM 0 HA ARG B 15 18.227 -2.911 3.572 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.661 -0.343 3.488 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.318 -1.121 4.915 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.614 -0.989 3.551 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.784 0.278 2.670 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.284 0.204 5.675 1.00 0.00 H new ATOM 0 HD3 ARG B 15 20.101 1.230 4.513 1.00 0.00 H new ATOM 0 HE ARG B 15 17.785 2.243 4.069 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.565 0.864 7.260 1.00 0.00 H new ATOM 0 HH12 ARG B 15 17.416 1.923 8.084 1.00 0.00 H new ATOM 0 HH21 ARG B 15 16.350 3.533 5.155 1.00 0.00 H new ATOM 0 HH22 ARG B 15 16.180 3.410 6.909 1.00 0.00 H new ATOM 979 N LEU B 16 15.120 -2.979 2.483 1.00 0.00 N ATOM 980 CA LEU B 16 13.854 -3.689 2.606 1.00 0.00 C ATOM 981 C LEU B 16 14.057 -5.145 2.205 1.00 0.00 C ATOM 982 O LEU B 16 13.517 -6.014 2.885 1.00 0.00 O ATOM 983 CB LEU B 16 12.751 -3.041 1.761 1.00 0.00 C ATOM 984 CG LEU B 16 12.053 -1.903 2.521 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.296 -1.012 1.536 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.098 -2.465 3.579 1.00 0.00 C ATOM 0 H LEU B 16 15.183 -2.394 1.650 1.00 0.00 H new ATOM 0 HA LEU B 16 13.527 -3.636 3.645 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.180 -2.653 0.837 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.017 -3.796 1.479 1.00 0.00 H new ATOM 0 HG LEU B 16 12.809 -1.306 3.031 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.802 -0.206 2.079 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.996 -0.588 0.816 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.549 -1.605 1.009 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.614 -1.643 4.106 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.341 -3.082 3.095 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.659 -3.071 4.290 1.00 0.00 H new ATOM 998 N MET B 17 14.844 -5.439 1.162 1.00 0.00 N ATOM 999 CA MET B 17 15.105 -6.811 0.731 1.00 0.00 C ATOM 1000 C MET B 17 15.646 -7.617 1.909 1.00 0.00 C ATOM 1001 O MET B 17 15.181 -8.733 2.139 1.00 0.00 O ATOM 1002 CB MET B 17 16.113 -6.872 -0.420 1.00 0.00 C ATOM 1003 CG MET B 17 15.532 -6.508 -1.784 1.00 0.00 C ATOM 1004 SD MET B 17 16.629 -7.022 -3.128 1.00 0.00 S ATOM 1005 CE MET B 17 15.784 -6.263 -4.528 1.00 0.00 C ATOM 0 H MET B 17 15.315 -4.732 0.597 1.00 0.00 H new ATOM 0 HA MET B 17 14.163 -7.230 0.376 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.940 -6.198 -0.199 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.527 -7.879 -0.472 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.559 -6.983 -1.905 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.370 -5.431 -1.836 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.110 -6.740 -5.452 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.707 -6.389 -4.415 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.023 -5.200 -4.564 1.00 0.00 H new ATOM 1015 N SER B 18 16.549 -7.024 2.694 1.00 0.00 N ATOM 1016 CA SER B 18 17.157 -7.637 3.866 1.00 0.00 C ATOM 1017 C SER B 18 16.109 -8.099 4.902 1.00 0.00 C ATOM 1018 O SER B 18 16.447 -8.883 5.784 1.00 0.00 O ATOM 1019 CB SER B 18 18.144 -6.613 4.449 1.00 0.00 C ATOM 1020 OG SER B 18 18.879 -7.116 5.544 1.00 0.00 O ATOM 0 H SER B 18 16.884 -6.076 2.522 1.00 0.00 H new ATOM 0 HA SER B 18 17.682 -8.549 3.583 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.836 -6.298 3.668 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.595 -5.726 4.764 1.00 0.00 H new ATOM 0 HG SER B 18 19.491 -6.424 5.873 1.00 0.00 H new ATOM 1026 N GLN B 19 14.850 -7.641 4.841 1.00 0.00 N ATOM 1027 CA GLN B 19 13.788 -8.026 5.774 1.00 0.00 C ATOM 1028 C GLN B 19 12.920 -9.181 5.248 1.00 0.00 C ATOM 1029 O GLN B 19 11.954 -9.575 5.906 1.00 0.00 O ATOM 1030 CB GLN B 19 12.935 -6.807 6.143 1.00 0.00 C ATOM 1031 CG GLN B 19 13.788 -5.693 6.759 1.00 0.00 C ATOM 1032 CD GLN B 19 12.921 -4.658 7.461 1.00 0.00 C ATOM 1033 OE1 GLN B 19 12.357 -4.936 8.520 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.802 -3.465 6.898 1.00 0.00 N ATOM 0 H GLN B 19 14.539 -6.981 4.128 1.00 0.00 H new ATOM 0 HA GLN B 19 14.272 -8.401 6.676 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.431 -6.431 5.253 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.158 -7.104 6.848 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.493 -6.123 7.470 1.00 0.00 H new ATOM 0 HG3 GLN B 19 14.377 -5.209 5.979 1.00 0.00 H new ATOM 0 HE21 GLN B 19 13.282 -3.265 6.020 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.231 -2.746 7.342 1.00 0.00 H new ATOM 1043 N GLY B 20 13.240 -9.710 4.068 1.00 0.00 N ATOM 1044 CA GLY B 20 12.543 -10.818 3.425 1.00 0.00 C ATOM 1045 C GLY B 20 11.534 -10.363 2.380 1.00 0.00 C ATOM 1046 O GLY B 20 11.053 -11.190 1.608 1.00 0.00 O ATOM 0 H GLY B 20 14.023 -9.363 3.514 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.274 -11.475 2.954 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.029 -11.406 4.185 1.00 0.00 H new ATOM 1050 N TYR B 21 11.221 -9.063 2.332 1.00 0.00 N ATOM 1051 CA TYR B 21 10.283 -8.510 1.369 1.00 0.00 C ATOM 1052 C TYR B 21 10.834 -8.771 -0.028 1.00 0.00 C ATOM 1053 O TYR B 21 11.989 -8.436 -0.317 1.00 0.00 O ATOM 1054 CB TYR B 21 10.094 -7.012 1.606 1.00 0.00 C ATOM 1055 CG TYR B 21 9.492 -6.640 2.947 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.221 -7.120 3.311 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.177 -5.765 3.807 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.607 -6.670 4.490 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.552 -5.275 4.969 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.245 -5.699 5.295 1.00 0.00 C ATOM 1061 OH TYR B 21 7.584 -5.127 6.340 1.00 0.00 O ATOM 0 H TYR B 21 11.617 -8.369 2.966 1.00 0.00 H new ATOM 0 HA TYR B 21 9.307 -8.983 1.478 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.063 -6.521 1.512 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.457 -6.613 0.817 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.716 -7.837 2.681 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.189 -5.467 3.575 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.646 -7.066 4.783 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.070 -4.577 5.609 1.00 0.00 H new ATOM 0 HH TYR B 21 6.618 -5.238 6.216 1.00 0.00 H new ATOM 1071 N SER B 22 10.036 -9.410 -0.873 1.00 0.00 N ATOM 1072 CA SER B 22 10.408 -9.748 -2.235 1.00 0.00 C ATOM 1073 C SER B 22 10.617 -8.474 -3.046 1.00 0.00 C ATOM 1074 O SER B 22 9.928 -7.480 -2.806 1.00 0.00 O ATOM 1075 CB SER B 22 9.314 -10.604 -2.902 1.00 0.00 C ATOM 1076 OG SER B 22 8.560 -11.370 -1.982 1.00 0.00 O ATOM 0 H SER B 22 9.094 -9.713 -0.623 1.00 0.00 H new ATOM 0 HA SER B 22 11.335 -10.321 -2.205 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.641 -9.951 -3.457 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.778 -11.273 -3.626 1.00 0.00 H new ATOM 0 HG SER B 22 7.912 -10.791 -1.528 1.00 0.00 H new ATOM 1082 N TYR B 23 11.466 -8.520 -4.079 1.00 0.00 N ATOM 1083 CA TYR B 23 11.712 -7.361 -4.938 1.00 0.00 C ATOM 1084 C TYR B 23 10.383 -6.823 -5.479 1.00 0.00 C ATOM 1085 O TYR B 23 10.151 -5.615 -5.487 1.00 0.00 O ATOM 1086 CB TYR B 23 12.641 -7.753 -6.092 1.00 0.00 C ATOM 1087 CG TYR B 23 12.878 -6.669 -7.134 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.277 -5.373 -6.749 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.706 -6.962 -8.501 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.527 -4.384 -7.716 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.975 -5.985 -9.476 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.383 -4.689 -9.089 1.00 0.00 C ATOM 1093 OH TYR B 23 13.575 -3.742 -10.046 1.00 0.00 O ATOM 0 H TYR B 23 11.995 -9.352 -4.339 1.00 0.00 H new ATOM 0 HA TYR B 23 12.195 -6.577 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.604 -8.051 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.224 -8.628 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.392 -5.138 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.366 -7.942 -8.802 1.00 0.00 H new ATOM 0 HE1 TYR B 23 13.829 -3.393 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.869 -6.226 -10.523 1.00 0.00 H new ATOM 0 HH TYR B 23 13.433 -4.138 -10.931 1.00 0.00 H new ATOM 1103 N GLN B 24 9.490 -7.729 -5.891 1.00 0.00 N ATOM 1104 CA GLN B 24 8.189 -7.353 -6.415 1.00 0.00 C ATOM 1105 C GLN B 24 7.365 -6.619 -5.360 1.00 0.00 C ATOM 1106 O GLN B 24 6.757 -5.607 -5.681 1.00 0.00 O ATOM 1107 CB GLN B 24 7.402 -8.579 -6.885 1.00 0.00 C ATOM 1108 CG GLN B 24 8.106 -9.342 -8.005 1.00 0.00 C ATOM 1109 CD GLN B 24 7.098 -10.207 -8.743 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.464 -9.764 -9.700 1.00 0.00 O ATOM 1111 NE2 GLN B 24 6.921 -11.452 -8.350 1.00 0.00 N ATOM 0 H GLN B 24 9.655 -8.735 -5.868 1.00 0.00 H new ATOM 0 HA GLN B 24 8.369 -6.693 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.243 -9.249 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.418 -8.263 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.575 -8.642 -8.696 1.00 0.00 H new ATOM 0 HG3 GLN B 24 8.901 -9.963 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.448 -11.816 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.257 -12.052 -8.839 1.00 0.00 H new ATOM 1120 N ASP B 25 7.342 -7.114 -4.120 1.00 0.00 N ATOM 1121 CA ASP B 25 6.593 -6.524 -3.011 1.00 0.00 C ATOM 1122 C ASP B 25 7.040 -5.073 -2.840 1.00 0.00 C ATOM 1123 O ASP B 25 6.231 -4.150 -2.773 1.00 0.00 O ATOM 1124 CB ASP B 25 6.806 -7.268 -1.666 1.00 0.00 C ATOM 1125 CG ASP B 25 6.683 -8.795 -1.671 1.00 0.00 C ATOM 1126 OD1 ASP B 25 6.089 -9.388 -2.599 1.00 0.00 O ATOM 1127 OD2 ASP B 25 7.248 -9.455 -0.767 1.00 0.00 O ATOM 0 H ASP B 25 7.855 -7.955 -3.855 1.00 0.00 H new ATOM 0 HA ASP B 25 5.534 -6.599 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.798 -7.012 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.086 -6.876 -0.948 1.00 0.00 H new ATOM 1132 N ILE B 26 8.355 -4.861 -2.798 1.00 0.00 N ATOM 1133 CA ILE B 26 8.967 -3.556 -2.621 1.00 0.00 C ATOM 1134 C ILE B 26 8.560 -2.612 -3.763 1.00 0.00 C ATOM 1135 O ILE B 26 8.084 -1.505 -3.491 1.00 0.00 O ATOM 1136 CB ILE B 26 10.495 -3.724 -2.454 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.851 -4.654 -1.267 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.137 -2.358 -2.192 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.292 -5.171 -1.334 1.00 0.00 C ATOM 0 H ILE B 26 9.036 -5.615 -2.889 1.00 0.00 H new ATOM 0 HA ILE B 26 8.603 -3.083 -1.709 1.00 0.00 H new ATOM 0 HB ILE B 26 10.872 -4.168 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.706 -4.114 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.165 -5.501 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.214 -2.479 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.936 -1.694 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.719 -1.928 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.487 -5.817 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.433 -5.736 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.982 -4.328 -1.316 1.00 0.00 H new ATOM 1151 N GLN B 27 8.725 -3.035 -5.020 1.00 0.00 N ATOM 1152 CA GLN B 27 8.383 -2.226 -6.189 1.00 0.00 C ATOM 1153 C GLN B 27 6.878 -1.938 -6.257 1.00 0.00 C ATOM 1154 O GLN B 27 6.479 -0.820 -6.596 1.00 0.00 O ATOM 1155 CB GLN B 27 8.869 -2.926 -7.469 1.00 0.00 C ATOM 1156 CG GLN B 27 10.397 -3.054 -7.566 1.00 0.00 C ATOM 1157 CD GLN B 27 11.099 -1.719 -7.801 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.306 -0.934 -6.881 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.508 -1.450 -9.028 1.00 0.00 N ATOM 0 H GLN B 27 9.102 -3.954 -5.254 1.00 0.00 H new ATOM 0 HA GLN B 27 8.888 -1.264 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.427 -3.921 -7.517 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.505 -2.373 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.777 -3.500 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.647 -3.736 -8.378 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.328 -2.113 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.003 -0.580 -9.221 1.00 0.00 H new ATOM 1168 N LYS B 28 6.022 -2.918 -5.948 1.00 0.00 N ATOM 1169 CA LYS B 28 4.570 -2.742 -5.965 1.00 0.00 C ATOM 1170 C LYS B 28 4.184 -1.706 -4.911 1.00 0.00 C ATOM 1171 O LYS B 28 3.338 -0.854 -5.168 1.00 0.00 O ATOM 1172 CB LYS B 28 3.847 -4.081 -5.730 1.00 0.00 C ATOM 1173 CG LYS B 28 3.859 -4.990 -6.974 1.00 0.00 C ATOM 1174 CD LYS B 28 3.167 -6.325 -6.667 1.00 0.00 C ATOM 1175 CE LYS B 28 3.274 -7.314 -7.831 1.00 0.00 C ATOM 1176 NZ LYS B 28 2.418 -8.505 -7.631 1.00 0.00 N ATOM 0 H LYS B 28 6.319 -3.856 -5.679 1.00 0.00 H new ATOM 0 HA LYS B 28 4.259 -2.384 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.320 -4.604 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.815 -3.886 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.353 -4.492 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.886 -5.170 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.612 -6.766 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.116 -6.144 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.989 -6.815 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.311 -7.629 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 2.522 -9.147 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.706 -8.997 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 1.425 -8.209 -7.549 1.00 0.00 H new ATOM 1190 N ALA B 29 4.795 -1.745 -3.725 1.00 0.00 N ATOM 1191 CA ALA B 29 4.478 -0.776 -2.688 1.00 0.00 C ATOM 1192 C ALA B 29 4.921 0.628 -3.125 1.00 0.00 C ATOM 1193 O ALA B 29 4.180 1.585 -2.910 1.00 0.00 O ATOM 1194 CB ALA B 29 5.117 -1.202 -1.366 1.00 0.00 C ATOM 0 H ALA B 29 5.504 -2.431 -3.466 1.00 0.00 H new ATOM 0 HA ALA B 29 3.400 -0.740 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.876 -0.472 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.733 -2.179 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.199 -1.259 -1.486 1.00 0.00 H new ATOM 1200 N LEU B 30 6.090 0.769 -3.764 1.00 0.00 N ATOM 1201 CA LEU B 30 6.606 2.063 -4.218 1.00 0.00 C ATOM 1202 C LEU B 30 5.710 2.725 -5.260 1.00 0.00 C ATOM 1203 O LEU B 30 5.368 3.898 -5.091 1.00 0.00 O ATOM 1204 CB LEU B 30 8.018 1.942 -4.817 1.00 0.00 C ATOM 1205 CG LEU B 30 9.179 1.942 -3.813 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.481 1.724 -4.589 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.295 3.259 -3.029 1.00 0.00 C ATOM 0 H LEU B 30 6.705 -0.015 -3.980 1.00 0.00 H new ATOM 0 HA LEU B 30 6.632 2.683 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.067 1.021 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.167 2.767 -5.514 1.00 0.00 H new ATOM 0 HG LEU B 30 8.991 1.148 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.322 1.720 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.437 0.768 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.612 2.528 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.134 3.197 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.458 4.083 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.375 3.432 -2.471 1.00 0.00 H new ATOM 1219 N VAL B 31 5.321 2.004 -6.317 1.00 0.00 N ATOM 1220 CA VAL B 31 4.487 2.577 -7.376 1.00 0.00 C ATOM 1221 C VAL B 31 3.152 3.089 -6.819 1.00 0.00 C ATOM 1222 O VAL B 31 2.649 4.128 -7.259 1.00 0.00 O ATOM 1223 CB VAL B 31 4.374 1.591 -8.566 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.544 0.337 -8.287 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.814 2.257 -9.824 1.00 0.00 C ATOM 0 H VAL B 31 5.570 1.025 -6.461 1.00 0.00 H new ATOM 0 HA VAL B 31 4.966 3.467 -7.784 1.00 0.00 H new ATOM 0 HB VAL B 31 5.407 1.280 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.523 -0.291 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.990 -0.218 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.527 0.625 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.755 1.524 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.818 2.648 -9.616 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.469 3.074 -10.126 1.00 0.00 H new ATOM 1235 N ILE B 32 2.585 2.403 -5.823 1.00 0.00 N ATOM 1236 CA ILE B 32 1.321 2.802 -5.209 1.00 0.00 C ATOM 1237 C ILE B 32 1.542 3.938 -4.194 1.00 0.00 C ATOM 1238 O ILE B 32 0.613 4.682 -3.877 1.00 0.00 O ATOM 1239 CB ILE B 32 0.641 1.570 -4.572 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.417 0.435 -5.601 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.705 1.997 -3.968 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.054 -0.902 -4.946 1.00 0.00 C ATOM 0 H ILE B 32 2.990 1.557 -5.422 1.00 0.00 H new ATOM 0 HA ILE B 32 0.652 3.193 -5.975 1.00 0.00 H new ATOM 0 HB ILE B 32 1.300 1.181 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.379 0.725 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.321 0.308 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.192 1.133 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.537 2.758 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.343 2.404 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.091 -1.658 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.860 -1.212 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.866 -0.788 -4.373 1.00 0.00 H new ATOM 1254 N ALA B 33 2.754 4.099 -3.663 1.00 0.00 N ATOM 1255 CA ALA B 33 3.096 5.129 -2.702 1.00 0.00 C ATOM 1256 C ALA B 33 3.658 6.374 -3.390 1.00 0.00 C ATOM 1257 O ALA B 33 4.262 7.199 -2.713 1.00 0.00 O ATOM 1258 CB ALA B 33 4.086 4.541 -1.697 1.00 0.00 C ATOM 0 H ALA B 33 3.542 3.496 -3.901 1.00 0.00 H new ATOM 0 HA ALA B 33 2.197 5.453 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.356 5.302 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.627 3.693 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.982 4.208 -2.221 1.00 0.00 H new ATOM 1264 N HIS B 34 3.477 6.533 -4.706 1.00 0.00 N ATOM 1265 CA HIS B 34 4.000 7.677 -5.461 1.00 0.00 C ATOM 1266 C HIS B 34 5.510 7.820 -5.198 1.00 0.00 C ATOM 1267 O HIS B 34 6.032 8.903 -4.923 1.00 0.00 O ATOM 1268 CB HIS B 34 3.199 8.962 -5.174 1.00 0.00 C ATOM 1269 CG HIS B 34 1.723 8.919 -5.504 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.803 9.869 -5.120 1.00 0.00 N ATOM 1271 CD2 HIS B 34 1.069 8.004 -6.287 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.375 9.537 -5.674 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.269 8.403 -6.390 1.00 0.00 N ATOM 0 H HIS B 34 2.960 5.867 -5.281 1.00 0.00 H new ATOM 0 HA HIS B 34 3.872 7.497 -6.528 1.00 0.00 H new ATOM 0 HB2 HIS B 34 3.306 9.203 -4.116 1.00 0.00 H new ATOM 0 HB3 HIS B 34 3.651 9.780 -5.735 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.508 7.130 -6.744 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.286 10.105 -5.560 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.013 7.930 -6.904 1.00 0.00 H new ATOM 1281 N ASN B 35 6.212 6.680 -5.232 1.00 0.00 N ATOM 1282 CA ASN B 35 7.651 6.522 -5.025 1.00 0.00 C ATOM 1283 C ASN B 35 8.099 6.846 -3.592 1.00 0.00 C ATOM 1284 O ASN B 35 9.299 6.790 -3.330 1.00 0.00 O ATOM 1285 CB ASN B 35 8.475 7.326 -6.062 1.00 0.00 C ATOM 1286 CG ASN B 35 8.172 6.975 -7.514 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.041 7.072 -7.976 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.152 6.545 -8.290 1.00 0.00 N ATOM 0 H ASN B 35 5.756 5.786 -5.417 1.00 0.00 H new ATOM 0 HA ASN B 35 7.854 5.462 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN B 35 8.288 8.389 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.536 7.159 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.963 6.298 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.098 6.460 -7.917 1.00 0.00 H new ATOM 1295 N ASN B 36 7.191 7.173 -2.666 1.00 0.00 N ATOM 1296 CA ASN B 36 7.517 7.507 -1.280 1.00 0.00 C ATOM 1297 C ASN B 36 7.904 6.236 -0.524 1.00 0.00 C ATOM 1298 O ASN B 36 7.051 5.386 -0.258 1.00 0.00 O ATOM 1299 CB ASN B 36 6.332 8.216 -0.607 1.00 0.00 C ATOM 1300 CG ASN B 36 6.604 8.641 0.832 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.377 8.033 1.568 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.942 9.675 1.301 1.00 0.00 N ATOM 0 H ASN B 36 6.191 7.213 -2.865 1.00 0.00 H new ATOM 0 HA ASN B 36 8.365 8.192 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.068 9.097 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.467 7.552 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN B 36 6.072 9.967 2.270 1.00 0.00 H new ATOM 0 HD22 ASN B 36 5.298 10.185 0.696 1.00 0.00 H new ATOM 1309 N ILE B 37 9.185 6.110 -0.176 1.00 0.00 N ATOM 1310 CA ILE B 37 9.732 4.966 0.543 1.00 0.00 C ATOM 1311 C ILE B 37 9.061 4.753 1.906 1.00 0.00 C ATOM 1312 O ILE B 37 8.711 3.625 2.237 1.00 0.00 O ATOM 1313 CB ILE B 37 11.274 5.099 0.650 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.910 3.973 1.483 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.749 6.421 1.274 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.866 2.612 0.795 1.00 0.00 C ATOM 0 H ILE B 37 9.885 6.819 -0.393 1.00 0.00 H new ATOM 0 HA ILE B 37 9.509 4.065 -0.029 1.00 0.00 H new ATOM 0 HB ILE B 37 11.595 5.049 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.947 4.231 1.697 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.395 3.904 2.441 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.838 6.435 1.312 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.397 7.256 0.669 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.349 6.511 2.284 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.331 1.864 1.437 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.829 2.333 0.606 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.406 2.665 -0.150 1.00 0.00 H new ATOM 1328 N GLU B 38 8.900 5.800 2.716 1.00 0.00 N ATOM 1329 CA GLU B 38 8.297 5.703 4.045 1.00 0.00 C ATOM 1330 C GLU B 38 6.870 5.183 3.953 1.00 0.00 C ATOM 1331 O GLU B 38 6.497 4.251 4.669 1.00 0.00 O ATOM 1332 CB GLU B 38 8.353 7.051 4.778 1.00 0.00 C ATOM 1333 CG GLU B 38 9.778 7.602 4.913 1.00 0.00 C ATOM 1334 CD GLU B 38 10.723 6.641 5.641 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.731 6.615 6.896 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.458 5.879 4.972 1.00 0.00 O ATOM 0 H GLU B 38 9.187 6.746 2.466 1.00 0.00 H new ATOM 0 HA GLU B 38 8.877 4.988 4.628 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.739 7.775 4.243 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.918 6.937 5.771 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.176 7.812 3.920 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.746 8.549 5.451 1.00 0.00 H new ATOM 1343 N MET B 39 6.079 5.770 3.059 1.00 0.00 N ATOM 1344 CA MET B 39 4.699 5.375 2.847 1.00 0.00 C ATOM 1345 C MET B 39 4.680 3.911 2.401 1.00 0.00 C ATOM 1346 O MET B 39 3.935 3.115 2.968 1.00 0.00 O ATOM 1347 CB MET B 39 4.075 6.334 1.833 1.00 0.00 C ATOM 1348 CG MET B 39 2.549 6.276 1.757 1.00 0.00 C ATOM 1349 SD MET B 39 1.879 7.676 0.810 1.00 0.00 S ATOM 1350 CE MET B 39 0.113 7.510 1.148 1.00 0.00 C ATOM 0 H MET B 39 6.384 6.537 2.460 1.00 0.00 H new ATOM 0 HA MET B 39 4.102 5.439 3.757 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.375 7.352 2.083 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.483 6.115 0.846 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.242 5.339 1.292 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.132 6.283 2.764 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.404 8.416 0.833 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.284 6.656 0.599 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.040 7.357 2.216 1.00 0.00 H new ATOM 1360 N ALA B 40 5.534 3.529 1.443 1.00 0.00 N ATOM 1361 CA ALA B 40 5.616 2.162 0.942 1.00 0.00 C ATOM 1362 C ALA B 40 5.973 1.171 2.059 1.00 0.00 C ATOM 1363 O ALA B 40 5.357 0.109 2.157 1.00 0.00 O ATOM 1364 CB ALA B 40 6.631 2.102 -0.199 1.00 0.00 C ATOM 0 H ALA B 40 6.190 4.169 0.994 1.00 0.00 H new ATOM 0 HA ALA B 40 4.637 1.868 0.564 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.695 1.081 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.314 2.767 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.609 2.415 0.167 1.00 0.00 H new ATOM 1370 N LYS B 41 6.928 1.515 2.935 1.00 0.00 N ATOM 1371 CA LYS B 41 7.343 0.666 4.056 1.00 0.00 C ATOM 1372 C LYS B 41 6.145 0.351 4.941 1.00 0.00 C ATOM 1373 O LYS B 41 6.035 -0.770 5.432 1.00 0.00 O ATOM 1374 CB LYS B 41 8.408 1.364 4.916 1.00 0.00 C ATOM 1375 CG LYS B 41 9.807 1.372 4.298 1.00 0.00 C ATOM 1376 CD LYS B 41 10.684 2.393 5.021 1.00 0.00 C ATOM 1377 CE LYS B 41 12.116 2.328 4.508 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.909 3.477 4.969 1.00 0.00 N ATOM 0 H LYS B 41 7.437 2.398 2.883 1.00 0.00 H new ATOM 0 HA LYS B 41 7.761 -0.250 3.639 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.097 2.393 5.096 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.455 0.871 5.887 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.253 0.380 4.370 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.745 1.617 3.238 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.283 3.396 4.871 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.667 2.200 6.094 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.583 1.403 4.847 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.112 2.302 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.784 3.542 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.357 4.350 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.148 3.353 5.973 1.00 0.00 H new ATOM 1392 N ASN B 42 5.272 1.336 5.176 1.00 0.00 N ATOM 1393 CA ASN B 42 4.088 1.145 6.005 1.00 0.00 C ATOM 1394 C ASN B 42 3.172 0.097 5.368 1.00 0.00 C ATOM 1395 O ASN B 42 2.625 -0.728 6.093 1.00 0.00 O ATOM 1396 CB ASN B 42 3.335 2.462 6.241 1.00 0.00 C ATOM 1397 CG ASN B 42 3.945 3.351 7.312 1.00 0.00 C ATOM 1398 OD1 ASN B 42 3.378 3.515 8.386 1.00 0.00 O ATOM 1399 ND2 ASN B 42 5.078 3.980 7.060 1.00 0.00 N ATOM 0 H ASN B 42 5.369 2.279 4.798 1.00 0.00 H new ATOM 0 HA ASN B 42 4.413 0.787 6.982 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.296 3.017 5.304 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.306 2.233 6.519 1.00 0.00 H new ATOM 0 HD21 ASN B 42 5.482 4.603 7.759 1.00 0.00 H new ATOM 0 HD22 ASN B 42 5.549 3.843 6.166 1.00 0.00 H new ATOM 1406 N ILE B 43 3.009 0.099 4.036 1.00 0.00 N ATOM 1407 CA ILE B 43 2.165 -0.875 3.329 1.00 0.00 C ATOM 1408 C ILE B 43 2.739 -2.264 3.621 1.00 0.00 C ATOM 1409 O ILE B 43 2.039 -3.152 4.113 1.00 0.00 O ATOM 1410 CB ILE B 43 2.075 -0.589 1.804 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.725 0.883 1.506 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.005 -1.485 1.160 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.690 1.281 0.030 1.00 0.00 C ATOM 0 H ILE B 43 3.459 0.776 3.419 1.00 0.00 H new ATOM 0 HA ILE B 43 1.137 -0.805 3.686 1.00 0.00 H new ATOM 0 HB ILE B 43 3.058 -0.802 1.385 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.750 1.099 1.943 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.450 1.518 2.015 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.951 -1.276 0.092 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.267 -2.532 1.312 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.037 -1.283 1.619 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.433 2.337 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.669 1.108 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.943 0.682 -0.491 1.00 0.00 H new ATOM 1425 N LEU B 44 4.048 -2.420 3.411 1.00 0.00 N ATOM 1426 CA LEU B 44 4.765 -3.667 3.632 1.00 0.00 C ATOM 1427 C LEU B 44 4.695 -4.135 5.091 1.00 0.00 C ATOM 1428 O LEU B 44 4.922 -5.312 5.352 1.00 0.00 O ATOM 1429 CB LEU B 44 6.231 -3.499 3.187 1.00 0.00 C ATOM 1430 CG LEU B 44 6.434 -3.304 1.673 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.852 -2.801 1.399 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.232 -4.603 0.885 1.00 0.00 C ATOM 0 H LEU B 44 4.646 -1.665 3.076 1.00 0.00 H new ATOM 0 HA LEU B 44 4.282 -4.440 3.035 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.657 -2.642 3.709 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.794 -4.377 3.504 1.00 0.00 H new ATOM 0 HG LEU B 44 5.688 -2.579 1.347 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.989 -2.665 0.326 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.005 -1.849 1.908 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.574 -3.530 1.768 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.386 -4.412 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.947 -5.351 1.227 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.218 -4.971 1.044 1.00 0.00 H new ATOM 1444 N ARG B 45 4.396 -3.255 6.050 1.00 0.00 N ATOM 1445 CA ARG B 45 4.312 -3.586 7.471 1.00 0.00 C ATOM 1446 C ARG B 45 2.925 -4.087 7.891 1.00 0.00 C ATOM 1447 O ARG B 45 2.806 -4.688 8.957 1.00 0.00 O ATOM 1448 CB ARG B 45 4.681 -2.321 8.259 1.00 0.00 C ATOM 1449 CG ARG B 45 5.179 -2.591 9.679 1.00 0.00 C ATOM 1450 CD ARG B 45 6.670 -2.951 9.751 1.00 0.00 C ATOM 1451 NE ARG B 45 7.109 -2.964 11.155 1.00 0.00 N ATOM 1452 CZ ARG B 45 8.294 -2.588 11.645 1.00 0.00 C ATOM 1453 NH1 ARG B 45 9.315 -2.359 10.827 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.444 -2.420 12.953 1.00 0.00 N ATOM 0 H ARG B 45 4.202 -2.273 5.854 1.00 0.00 H new ATOM 0 HA ARG B 45 4.999 -4.406 7.681 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.452 -1.778 7.713 1.00 0.00 H new ATOM 0 HB3 ARG B 45 3.808 -1.670 8.310 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.997 -1.709 10.292 1.00 0.00 H new ATOM 0 HG3 ARG B 45 4.596 -3.405 10.111 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.841 -3.927 9.297 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.256 -2.229 9.183 1.00 0.00 H new ATOM 0 HE ARG B 45 6.428 -3.300 11.836 1.00 0.00 H new ATOM 0 HH11 ARG B 45 9.197 -2.470 9.820 1.00 0.00 H new ATOM 0 HH12 ARG B 45 10.218 -2.072 11.206 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.656 -2.578 13.581 1.00 0.00 H new ATOM 0 HH22 ARG B 45 9.347 -2.133 13.330 1.00 0.00 H new ATOM 1468 N GLU B 46 1.883 -3.854 7.092 1.00 0.00 N ATOM 1469 CA GLU B 46 0.514 -4.284 7.408 1.00 0.00 C ATOM 1470 C GLU B 46 -0.100 -5.230 6.380 1.00 0.00 C ATOM 1471 O GLU B 46 -1.090 -5.889 6.708 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.399 -3.062 7.565 1.00 0.00 C ATOM 1473 CG GLU B 46 -0.194 -2.297 8.880 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.580 -3.089 10.131 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -1.117 -4.212 10.048 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -0.321 -2.582 11.252 1.00 0.00 O ATOM 0 H GLU B 46 1.962 -3.360 6.203 1.00 0.00 H new ATOM 0 HA GLU B 46 0.592 -4.841 8.341 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -0.227 -2.383 6.730 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.438 -3.386 7.503 1.00 0.00 H new ATOM 0 HG2 GLU B 46 0.853 -2.004 8.958 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.781 -1.379 8.849 1.00 0.00 H new ATOM 1483 N PHE B 47 0.452 -5.297 5.168 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.028 -6.167 4.101 1.00 0.00 C ATOM 1485 C PHE B 47 0.997 -7.267 3.878 1.00 0.00 C ATOM 1486 O PHE B 47 0.650 -8.446 3.928 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.310 -5.376 2.818 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.632 -4.646 2.866 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.738 -3.405 3.527 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.777 -5.244 2.298 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.989 -2.783 3.639 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.025 -4.613 2.412 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.126 -3.384 3.085 1.00 0.00 C ATOM 0 H PHE B 47 1.260 -4.736 4.898 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.977 -6.617 4.392 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.493 -4.657 2.655 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.306 -6.057 1.967 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.859 -2.936 3.945 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.693 -6.186 1.776 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.076 -1.838 4.154 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.905 -5.070 1.984 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.087 -2.899 3.176 1.00 0.00 H new ATOM 1503 N SER B 48 2.241 -6.891 3.579 1.00 0.00 N ATOM 1504 CA SER B 48 3.307 -7.856 3.370 1.00 0.00 C ATOM 1505 C SER B 48 3.815 -8.333 4.744 1.00 0.00 C ATOM 1506 O SER B 48 3.255 -7.965 5.781 1.00 0.00 O ATOM 1507 CB SER B 48 4.369 -7.226 2.460 1.00 0.00 C ATOM 1508 OG SER B 48 5.243 -8.179 1.894 1.00 0.00 O ATOM 0 H SER B 48 2.530 -5.918 3.477 1.00 0.00 H new ATOM 0 HA SER B 48 2.969 -8.753 2.851 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.874 -6.674 1.661 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.950 -6.504 3.034 1.00 0.00 H new ATOM 0 HG SER B 48 5.897 -7.725 1.323 1.00 0.00 H new