USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 743 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 32 LYS NZ :NH3+ 177:sc= 0.0518 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0.0533 X(o=0.11,f=0) USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.324 X(o=-0.51,f=-0.77) USER MOD Set 2.2: A 98 SER OG : rot 174:sc= -0.19 USER MOD Set 3.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 53 SER OG : rot -56:sc= 0.871 USER MOD Set 4.2: A 64 LYS NZ :NH3+ -125:sc= 0.52 (180deg=0) USER MOD Set 5.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 67 HIS : no HD1:sc= 0 X(o=0,f=0.021) USER MOD Set 6.1: A 40 ASN : amide:sc= -4.7! C(o=-4.7!,f=-7.6!) USER MOD Set 6.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 17 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.77) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.9!) USER MOD Single : A 23 SER OG : rot -50:sc= 0.0634 USER MOD Single : A 25 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.079) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= -1.32 (180deg=-3.09!) USER MOD Single : A 37 MET CE :methyl 168:sc= -2.18 (180deg=-2.75!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -140:sc= 0.0188 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -0.496 K(o=-0.5,f=-1.4) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc=-0.00075 X(o=-0.00075,f=-0.087) USER MOD Single : A 71 ASN : amide:sc= 0.129 K(o=0.13,f=-8.1!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 24:sc= 0.00687 USER MOD Single : A 86 SER OG : rot 180:sc= -0.199 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= 0.217 K(o=0.22,f=-2.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.3) USER MOD Single : A 96 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.00076) USER MOD Single : A 97 ASN : amide:sc= 0.0879 X(o=0.088,f=-0.11) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 7:sc= 0.627 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.989 -11.987 -7.876 1.00 0.00 N ATOM 67 CA LEU A 8 1.968 -10.572 -7.522 1.00 0.00 C ATOM 68 C LEU A 8 3.066 -9.811 -8.257 1.00 0.00 C ATOM 69 O LEU A 8 2.851 -8.693 -8.727 1.00 0.00 O ATOM 70 CB LEU A 8 2.138 -10.403 -6.011 1.00 0.00 C ATOM 71 CG LEU A 8 0.902 -10.691 -5.159 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.255 -10.668 -3.680 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.200 -9.685 -5.462 1.00 0.00 C ATOM 0 HA LEU A 8 1.004 -10.161 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.943 -11.060 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.460 -9.380 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 8 0.537 -11.687 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.362 -10.875 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.010 -11.427 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.646 -9.686 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.073 -9.905 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.155 -8.678 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.473 -9.751 -6.515 1.00 0.00 H new ATOM 85 N ASP A 9 4.240 -10.423 -8.355 1.00 0.00 N ATOM 86 CA ASP A 9 5.371 -9.803 -9.037 1.00 0.00 C ATOM 87 C ASP A 9 4.916 -9.095 -10.309 1.00 0.00 C ATOM 88 O ASP A 9 5.503 -8.092 -10.716 1.00 0.00 O ATOM 89 CB ASP A 9 6.429 -10.855 -9.373 1.00 0.00 C ATOM 90 CG ASP A 9 7.798 -10.246 -9.600 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.020 -9.673 -10.688 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.649 -10.342 -8.690 1.00 0.00 O ATOM 0 H ASP A 9 4.434 -11.348 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 9 5.807 -9.062 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.487 -11.580 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.124 -11.400 -10.266 1.00 0.00 H new ATOM 97 N ASP A 10 3.871 -9.625 -10.934 1.00 0.00 N ATOM 98 CA ASP A 10 3.338 -9.044 -12.160 1.00 0.00 C ATOM 99 C ASP A 10 3.132 -7.541 -12.005 1.00 0.00 C ATOM 100 O ASP A 10 3.742 -6.743 -12.718 1.00 0.00 O ATOM 101 CB ASP A 10 2.016 -9.717 -12.536 1.00 0.00 C ATOM 102 CG ASP A 10 2.209 -11.132 -13.040 1.00 0.00 C ATOM 103 OD1 ASP A 10 3.305 -11.434 -13.557 1.00 0.00 O ATOM 104 OD2 ASP A 10 1.264 -11.941 -12.920 1.00 0.00 O ATOM 0 H ASP A 10 3.376 -10.456 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 10 4.062 -9.212 -12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.359 -9.731 -11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.517 -9.126 -13.304 1.00 0.00 H new ATOM 109 N TYR A 11 2.268 -7.160 -11.070 1.00 0.00 N ATOM 110 CA TYR A 11 1.980 -5.753 -10.823 1.00 0.00 C ATOM 111 C TYR A 11 3.268 -4.958 -10.631 1.00 0.00 C ATOM 112 O TYR A 11 4.352 -5.530 -10.510 1.00 0.00 O ATOM 113 CB TYR A 11 1.086 -5.602 -9.590 1.00 0.00 C ATOM 114 CG TYR A 11 -0.217 -6.361 -9.692 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.327 -5.798 -10.310 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.340 -7.644 -9.170 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.519 -6.487 -10.403 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.528 -8.341 -9.261 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.616 -7.758 -9.878 1.00 0.00 C ATOM 120 OH TYR A 11 -3.802 -8.449 -9.971 1.00 0.00 O ATOM 0 H TYR A 11 1.755 -7.807 -10.471 1.00 0.00 H new ATOM 0 HA TYR A 11 1.457 -5.358 -11.694 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.631 -5.948 -8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.870 -4.545 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.256 -4.803 -10.725 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.509 -8.103 -8.685 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.372 -6.033 -10.885 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.606 -9.337 -8.851 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.701 -9.329 -9.553 1.00 0.00 H new ATOM 130 N ASP A 12 3.141 -3.636 -10.604 1.00 0.00 N ATOM 131 CA ASP A 12 4.293 -2.760 -10.425 1.00 0.00 C ATOM 132 C ASP A 12 4.445 -2.353 -8.963 1.00 0.00 C ATOM 133 O ASP A 12 5.458 -2.645 -8.328 1.00 0.00 O ATOM 134 CB ASP A 12 4.156 -1.515 -11.303 1.00 0.00 C ATOM 135 CG ASP A 12 4.458 -1.799 -12.762 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.594 -2.222 -13.061 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.558 -1.599 -13.603 1.00 0.00 O ATOM 0 H ASP A 12 2.251 -3.147 -10.704 1.00 0.00 H new ATOM 0 HA ASP A 12 5.185 -3.309 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.143 -1.121 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.832 -0.741 -10.939 1.00 0.00 H new ATOM 142 N TRP A 13 3.431 -1.677 -8.435 1.00 0.00 N ATOM 143 CA TRP A 13 3.452 -1.229 -7.047 1.00 0.00 C ATOM 144 C TRP A 13 4.112 -2.269 -6.149 1.00 0.00 C ATOM 145 O TRP A 13 4.955 -1.937 -5.315 1.00 0.00 O ATOM 146 CB TRP A 13 2.030 -0.944 -6.560 1.00 0.00 C ATOM 147 CG TRP A 13 0.999 -1.839 -7.181 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.302 -1.610 -8.332 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.550 -3.103 -6.680 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.554 -2.656 -8.578 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.420 -3.585 -7.581 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.874 -3.876 -5.562 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.069 -4.804 -7.394 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.230 -5.084 -5.377 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.732 -5.539 -6.289 1.00 0.00 C ATOM 0 H TRP A 13 2.585 -1.427 -8.946 1.00 0.00 H new ATOM 0 HA TRP A 13 4.036 -0.310 -6.997 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.995 -1.058 -5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.780 0.094 -6.779 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.408 -0.736 -8.957 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.187 -2.729 -9.375 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.615 -3.535 -4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.811 -5.156 -8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.472 -5.688 -4.515 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.217 -6.488 -6.117 1.00 0.00 H new ATOM 166 N PHE A 14 3.723 -3.527 -6.323 1.00 0.00 N ATOM 167 CA PHE A 14 4.277 -4.616 -5.527 1.00 0.00 C ATOM 168 C PHE A 14 5.803 -4.582 -5.547 1.00 0.00 C ATOM 169 O PHE A 14 6.433 -5.084 -6.478 1.00 0.00 O ATOM 170 CB PHE A 14 3.778 -5.964 -6.051 1.00 0.00 C ATOM 171 CG PHE A 14 4.296 -7.139 -5.271 1.00 0.00 C ATOM 172 CD1 PHE A 14 5.487 -7.752 -5.625 1.00 0.00 C ATOM 173 CD2 PHE A 14 3.592 -7.628 -4.182 1.00 0.00 C ATOM 174 CE1 PHE A 14 5.964 -8.833 -4.909 1.00 0.00 C ATOM 175 CE2 PHE A 14 4.065 -8.710 -3.462 1.00 0.00 C ATOM 176 CZ PHE A 14 5.253 -9.312 -3.826 1.00 0.00 C ATOM 0 H PHE A 14 3.026 -3.818 -7.008 1.00 0.00 H new ATOM 0 HA PHE A 14 3.942 -4.488 -4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.688 -5.974 -6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.074 -6.072 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.048 -7.381 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.663 -7.159 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.893 -9.303 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.506 -9.083 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.626 -10.156 -3.265 1.00 0.00 H new ATOM 186 N ALA A 15 6.390 -3.986 -4.514 1.00 0.00 N ATOM 187 CA ALA A 15 7.840 -3.888 -4.411 1.00 0.00 C ATOM 188 C ALA A 15 8.456 -5.231 -4.037 1.00 0.00 C ATOM 189 O ALA A 15 9.576 -5.546 -4.438 1.00 0.00 O ATOM 190 CB ALA A 15 8.226 -2.825 -3.393 1.00 0.00 C ATOM 0 H ALA A 15 5.883 -3.564 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 15 8.230 -3.599 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.312 -2.763 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.825 -1.860 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.817 -3.090 -2.418 1.00 0.00 H new ATOM 196 N GLY A 16 7.717 -6.021 -3.263 1.00 0.00 N ATOM 197 CA GLY A 16 8.208 -7.322 -2.846 1.00 0.00 C ATOM 198 C GLY A 16 8.866 -7.283 -1.481 1.00 0.00 C ATOM 199 O GLY A 16 8.363 -6.640 -0.560 1.00 0.00 O ATOM 0 H GLY A 16 6.787 -5.783 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.380 -8.030 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.924 -7.689 -3.581 1.00 0.00 H new ATOM 203 N ASN A 17 9.993 -7.973 -1.349 1.00 0.00 N ATOM 204 CA ASN A 17 10.720 -8.017 -0.086 1.00 0.00 C ATOM 205 C ASN A 17 11.600 -6.780 0.078 1.00 0.00 C ATOM 206 O ASN A 17 12.618 -6.637 -0.599 1.00 0.00 O ATOM 207 CB ASN A 17 11.578 -9.281 -0.010 1.00 0.00 C ATOM 208 CG ASN A 17 12.449 -9.316 1.230 1.00 0.00 C ATOM 209 OD1 ASN A 17 13.437 -8.585 1.330 1.00 0.00 O ATOM 210 ND2 ASN A 17 12.087 -10.166 2.185 1.00 0.00 N ATOM 0 H ASN A 17 10.423 -8.510 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 17 9.991 -8.033 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.930 -10.157 -0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.210 -9.341 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.634 -10.232 3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.262 -10.752 2.060 1.00 0.00 H new ATOM 217 N ILE A 18 11.201 -5.893 0.982 1.00 0.00 N ATOM 218 CA ILE A 18 11.954 -4.671 1.237 1.00 0.00 C ATOM 219 C ILE A 18 12.032 -4.374 2.731 1.00 0.00 C ATOM 220 O ILE A 18 11.143 -4.748 3.496 1.00 0.00 O ATOM 221 CB ILE A 18 11.326 -3.463 0.517 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.849 -3.329 0.893 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.485 -3.604 -0.990 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.150 -2.182 0.196 1.00 0.00 C ATOM 0 H ILE A 18 10.361 -5.997 1.550 1.00 0.00 H new ATOM 0 HA ILE A 18 12.960 -4.833 0.849 1.00 0.00 H new ATOM 0 HB ILE A 18 11.845 -2.559 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.335 -4.259 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.768 -3.192 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.036 -2.743 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.544 -3.656 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.988 -4.515 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.107 -2.147 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.639 -1.244 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.200 -2.327 -0.883 1.00 0.00 H new ATOM 236 N SER A 19 13.101 -3.697 3.139 1.00 0.00 N ATOM 237 CA SER A 19 13.296 -3.351 4.542 1.00 0.00 C ATOM 238 C SER A 19 12.548 -2.069 4.894 1.00 0.00 C ATOM 239 O SER A 19 12.111 -1.330 4.012 1.00 0.00 O ATOM 240 CB SER A 19 14.786 -3.186 4.846 1.00 0.00 C ATOM 241 OG SER A 19 15.073 -3.527 6.190 1.00 0.00 O ATOM 0 H SER A 19 13.845 -3.378 2.518 1.00 0.00 H new ATOM 0 HA SER A 19 12.896 -4.163 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.369 -3.817 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.087 -2.156 4.657 1.00 0.00 H new ATOM 0 HG SER A 19 16.032 -3.415 6.358 1.00 0.00 H new ATOM 247 N ARG A 20 12.405 -1.812 6.190 1.00 0.00 N ATOM 248 CA ARG A 20 11.710 -0.620 6.660 1.00 0.00 C ATOM 249 C ARG A 20 12.396 0.645 6.154 1.00 0.00 C ATOM 250 O ARG A 20 11.736 1.622 5.800 1.00 0.00 O ATOM 251 CB ARG A 20 11.654 -0.606 8.190 1.00 0.00 C ATOM 252 CG ARG A 20 10.578 -1.510 8.768 1.00 0.00 C ATOM 253 CD ARG A 20 9.254 -0.775 8.915 1.00 0.00 C ATOM 254 NE ARG A 20 9.164 -0.056 10.183 1.00 0.00 N ATOM 255 CZ ARG A 20 8.120 0.688 10.532 1.00 0.00 C ATOM 256 NH1 ARG A 20 7.085 0.810 9.713 1.00 0.00 N ATOM 257 NH2 ARG A 20 8.113 1.312 11.703 1.00 0.00 N ATOM 0 H ARG A 20 12.761 -2.413 6.933 1.00 0.00 H new ATOM 0 HA ARG A 20 10.694 -0.644 6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.623 -0.912 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.480 0.415 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.444 -2.378 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.898 -1.883 9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.137 -0.072 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.433 -1.489 8.844 1.00 0.00 H new ATOM 0 HE ARG A 20 9.944 -0.129 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.089 0.332 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.285 1.382 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.909 1.220 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.312 1.883 11.972 1.00 0.00 H new ATOM 271 N SER A 21 13.724 0.620 6.124 1.00 0.00 N ATOM 272 CA SER A 21 14.500 1.767 5.665 1.00 0.00 C ATOM 273 C SER A 21 14.316 1.982 4.166 1.00 0.00 C ATOM 274 O SER A 21 14.097 3.105 3.713 1.00 0.00 O ATOM 275 CB SER A 21 15.982 1.567 5.985 1.00 0.00 C ATOM 276 OG SER A 21 16.717 2.758 5.764 1.00 0.00 O ATOM 0 H SER A 21 14.286 -0.181 6.412 1.00 0.00 H new ATOM 0 HA SER A 21 14.139 2.652 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.094 1.254 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.386 0.766 5.366 1.00 0.00 H new ATOM 0 HG SER A 21 17.661 2.604 5.977 1.00 0.00 H new ATOM 282 N GLN A 22 14.407 0.897 3.403 1.00 0.00 N ATOM 283 CA GLN A 22 14.251 0.968 1.955 1.00 0.00 C ATOM 284 C GLN A 22 12.845 1.423 1.580 1.00 0.00 C ATOM 285 O GLN A 22 12.667 2.465 0.949 1.00 0.00 O ATOM 286 CB GLN A 22 14.545 -0.394 1.324 1.00 0.00 C ATOM 287 CG GLN A 22 16.009 -0.598 0.970 1.00 0.00 C ATOM 288 CD GLN A 22 16.864 -0.907 2.183 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.503 -1.737 3.018 1.00 0.00 O ATOM 290 NE2 GLN A 22 18.008 -0.240 2.287 1.00 0.00 N ATOM 0 H GLN A 22 14.588 -0.040 3.763 1.00 0.00 H new ATOM 0 HA GLN A 22 14.963 1.700 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.234 -1.179 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.943 -0.505 0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.095 -1.414 0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.389 0.299 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.269 0.439 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.625 -0.407 3.082 1.00 0.00 H new ATOM 299 N SER A 23 11.849 0.636 1.972 1.00 0.00 N ATOM 300 CA SER A 23 10.458 0.956 1.674 1.00 0.00 C ATOM 301 C SER A 23 10.226 2.463 1.721 1.00 0.00 C ATOM 302 O SER A 23 9.619 3.037 0.816 1.00 0.00 O ATOM 303 CB SER A 23 9.527 0.255 2.664 1.00 0.00 C ATOM 304 OG SER A 23 9.633 0.826 3.957 1.00 0.00 O ATOM 0 H SER A 23 11.979 -0.229 2.497 1.00 0.00 H new ATOM 0 HA SER A 23 10.238 0.602 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.497 0.329 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.773 -0.806 2.710 1.00 0.00 H new ATOM 0 HG SER A 23 10.577 0.877 4.216 1.00 0.00 H new ATOM 310 N GLU A 24 10.714 3.098 2.782 1.00 0.00 N ATOM 311 CA GLU A 24 10.559 4.539 2.947 1.00 0.00 C ATOM 312 C GLU A 24 11.449 5.298 1.967 1.00 0.00 C ATOM 313 O GLU A 24 10.964 6.080 1.151 1.00 0.00 O ATOM 314 CB GLU A 24 10.894 4.950 4.382 1.00 0.00 C ATOM 315 CG GLU A 24 9.729 4.804 5.345 1.00 0.00 C ATOM 316 CD GLU A 24 9.809 5.775 6.508 1.00 0.00 C ATOM 317 OE1 GLU A 24 9.684 6.995 6.273 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.995 5.313 7.653 1.00 0.00 O ATOM 0 H GLU A 24 11.219 2.638 3.539 1.00 0.00 H new ATOM 0 HA GLU A 24 9.520 4.793 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.727 4.345 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.229 5.987 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.795 4.964 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.705 3.784 5.729 1.00 0.00 H new ATOM 325 N GLN A 25 12.754 5.061 2.057 1.00 0.00 N ATOM 326 CA GLN A 25 13.712 5.723 1.180 1.00 0.00 C ATOM 327 C GLN A 25 13.173 5.816 -0.244 1.00 0.00 C ATOM 328 O GLN A 25 13.153 6.894 -0.841 1.00 0.00 O ATOM 329 CB GLN A 25 15.044 4.970 1.185 1.00 0.00 C ATOM 330 CG GLN A 25 16.077 5.558 0.238 1.00 0.00 C ATOM 331 CD GLN A 25 16.331 7.031 0.491 1.00 0.00 C ATOM 332 OE1 GLN A 25 15.912 7.888 -0.286 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.023 7.334 1.585 1.00 0.00 N ATOM 0 H GLN A 25 13.171 4.416 2.728 1.00 0.00 H new ATOM 0 HA GLN A 25 13.872 6.734 1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.449 4.971 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.865 3.930 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.013 5.009 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.740 5.423 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.352 6.592 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.225 8.309 1.807 1.00 0.00 H new ATOM 342 N LEU A 26 12.736 4.683 -0.781 1.00 0.00 N ATOM 343 CA LEU A 26 12.197 4.637 -2.135 1.00 0.00 C ATOM 344 C LEU A 26 11.124 5.703 -2.332 1.00 0.00 C ATOM 345 O LEU A 26 11.299 6.638 -3.116 1.00 0.00 O ATOM 346 CB LEU A 26 11.614 3.252 -2.427 1.00 0.00 C ATOM 347 CG LEU A 26 12.629 2.135 -2.667 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.966 0.772 -2.529 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.268 2.280 -4.041 1.00 0.00 C ATOM 0 H LEU A 26 12.744 3.784 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 26 13.013 4.836 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.977 2.964 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.972 3.327 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 26 13.412 2.215 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.704 -0.011 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.556 0.667 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.163 0.682 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.988 1.476 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.496 2.227 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.778 3.241 -4.105 1.00 0.00 H new ATOM 361 N LEU A 27 10.017 5.560 -1.612 1.00 0.00 N ATOM 362 CA LEU A 27 8.916 6.513 -1.705 1.00 0.00 C ATOM 363 C LEU A 27 9.438 7.945 -1.752 1.00 0.00 C ATOM 364 O LEU A 27 9.089 8.714 -2.649 1.00 0.00 O ATOM 365 CB LEU A 27 7.968 6.344 -0.516 1.00 0.00 C ATOM 366 CG LEU A 27 7.058 5.116 -0.552 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.750 4.638 0.858 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.774 5.425 -1.307 1.00 0.00 C ATOM 0 H LEU A 27 9.858 4.794 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 27 8.372 6.313 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.564 6.303 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.342 7.233 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 27 7.580 4.316 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.101 3.763 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.679 4.375 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.249 5.433 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.139 4.539 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.248 6.241 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.014 5.717 -2.329 1.00 0.00 H new ATOM 380 N ARG A 28 10.280 8.297 -0.785 1.00 0.00 N ATOM 381 CA ARG A 28 10.851 9.636 -0.718 1.00 0.00 C ATOM 382 C ARG A 28 11.676 9.939 -1.966 1.00 0.00 C ATOM 383 O ARG A 28 11.807 11.093 -2.369 1.00 0.00 O ATOM 384 CB ARG A 28 11.723 9.779 0.530 1.00 0.00 C ATOM 385 CG ARG A 28 11.033 9.338 1.810 1.00 0.00 C ATOM 386 CD ARG A 28 11.987 9.358 2.993 1.00 0.00 C ATOM 387 NE ARG A 28 12.605 10.668 3.176 1.00 0.00 N ATOM 388 CZ ARG A 28 13.742 10.858 3.837 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.381 9.829 4.374 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.241 12.081 3.961 1.00 0.00 N ATOM 0 H ARG A 28 10.581 7.672 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 28 10.030 10.351 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.632 9.192 0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.028 10.820 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.187 9.994 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.633 8.332 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.447 9.082 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.764 8.608 2.845 1.00 0.00 H new ATOM 0 HE ARG A 28 12.139 11.482 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.000 8.887 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.254 9.979 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.752 12.876 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.114 12.227 4.468 1.00 0.00 H new ATOM 404 N GLN A 29 12.229 8.893 -2.570 1.00 0.00 N ATOM 405 CA GLN A 29 13.042 9.047 -3.771 1.00 0.00 C ATOM 406 C GLN A 29 12.164 9.268 -4.998 1.00 0.00 C ATOM 407 O GLN A 29 12.466 10.105 -5.848 1.00 0.00 O ATOM 408 CB GLN A 29 13.926 7.814 -3.976 1.00 0.00 C ATOM 409 CG GLN A 29 14.208 7.505 -5.437 1.00 0.00 C ATOM 410 CD GLN A 29 15.567 6.864 -5.646 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.602 7.485 -5.406 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.569 5.614 -6.095 1.00 0.00 N ATOM 0 H GLN A 29 12.129 7.930 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 29 13.677 9.923 -3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.872 7.965 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.444 6.951 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.434 6.840 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.152 8.426 -6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.687 5.137 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.453 5.131 -6.254 1.00 0.00 H new ATOM 421 N LYS A 30 11.077 8.509 -5.086 1.00 0.00 N ATOM 422 CA LYS A 30 10.154 8.622 -6.208 1.00 0.00 C ATOM 423 C LYS A 30 9.676 10.060 -6.379 1.00 0.00 C ATOM 424 O LYS A 30 9.826 10.651 -7.447 1.00 0.00 O ATOM 425 CB LYS A 30 8.952 7.696 -6.002 1.00 0.00 C ATOM 426 CG LYS A 30 8.275 7.281 -7.296 1.00 0.00 C ATOM 427 CD LYS A 30 9.049 6.181 -8.002 1.00 0.00 C ATOM 428 CE LYS A 30 8.245 5.577 -9.143 1.00 0.00 C ATOM 429 NZ LYS A 30 7.346 4.487 -8.673 1.00 0.00 N ATOM 0 H LYS A 30 10.814 7.809 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 30 10.685 8.324 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.279 6.803 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.223 8.197 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.263 6.936 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.186 8.145 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.985 6.584 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.309 5.401 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.651 6.356 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.926 5.186 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.296 3.742 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.719 4.086 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.394 4.870 -8.505 1.00 0.00 H new ATOM 443 N GLY A 31 9.103 10.619 -5.316 1.00 0.00 N ATOM 444 CA GLY A 31 8.615 11.984 -5.369 1.00 0.00 C ATOM 445 C GLY A 31 7.226 12.081 -5.971 1.00 0.00 C ATOM 446 O GLY A 31 6.739 13.175 -6.256 1.00 0.00 O ATOM 0 H GLY A 31 8.969 10.150 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.601 12.401 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.305 12.591 -5.956 1.00 0.00 H new ATOM 450 N LYS A 32 6.587 10.933 -6.166 1.00 0.00 N ATOM 451 CA LYS A 32 5.247 10.890 -6.738 1.00 0.00 C ATOM 452 C LYS A 32 4.190 11.149 -5.668 1.00 0.00 C ATOM 453 O LYS A 32 4.302 10.661 -4.544 1.00 0.00 O ATOM 454 CB LYS A 32 4.995 9.535 -7.402 1.00 0.00 C ATOM 455 CG LYS A 32 5.589 9.420 -8.795 1.00 0.00 C ATOM 456 CD LYS A 32 4.949 8.290 -9.583 1.00 0.00 C ATOM 457 CE LYS A 32 5.376 8.316 -11.042 1.00 0.00 C ATOM 458 NZ LYS A 32 4.726 7.232 -11.830 1.00 0.00 N ATOM 0 H LYS A 32 6.976 10.019 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 32 5.176 11.674 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.411 8.748 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.920 9.362 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.451 10.360 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.663 9.250 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.225 7.334 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.864 8.370 -9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.123 9.283 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.459 8.211 -11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.003 7.315 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.028 6.307 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.693 7.316 -11.749 1.00 0.00 H new ATOM 472 N GLU A 33 3.166 11.915 -6.027 1.00 0.00 N ATOM 473 CA GLU A 33 2.090 12.236 -5.097 1.00 0.00 C ATOM 474 C GLU A 33 1.208 11.017 -4.844 1.00 0.00 C ATOM 475 O GLU A 33 1.013 10.184 -5.727 1.00 0.00 O ATOM 476 CB GLU A 33 1.242 13.389 -5.640 1.00 0.00 C ATOM 477 CG GLU A 33 1.988 14.710 -5.716 1.00 0.00 C ATOM 478 CD GLU A 33 3.368 14.568 -6.328 1.00 0.00 C ATOM 479 OE1 GLU A 33 3.453 14.398 -7.563 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.361 14.626 -5.574 1.00 0.00 O ATOM 0 H GLU A 33 3.058 12.325 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 33 2.540 12.540 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.882 13.127 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.364 13.513 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.405 15.418 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.081 15.128 -4.714 1.00 0.00 H new ATOM 487 N GLY A 34 0.678 10.920 -3.628 1.00 0.00 N ATOM 488 CA GLY A 34 -0.176 9.799 -3.278 1.00 0.00 C ATOM 489 C GLY A 34 0.441 8.464 -3.644 1.00 0.00 C ATOM 490 O GLY A 34 -0.260 7.459 -3.757 1.00 0.00 O ATOM 0 H GLY A 34 0.825 11.597 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.378 9.821 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.135 9.904 -3.786 1.00 0.00 H new ATOM 494 N ALA A 35 1.757 8.453 -3.832 1.00 0.00 N ATOM 495 CA ALA A 35 2.468 7.232 -4.188 1.00 0.00 C ATOM 496 C ALA A 35 2.144 6.105 -3.212 1.00 0.00 C ATOM 497 O ALA A 35 1.853 6.348 -2.042 1.00 0.00 O ATOM 498 CB ALA A 35 3.968 7.486 -4.223 1.00 0.00 C ATOM 0 H ALA A 35 2.352 9.277 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 35 2.139 6.925 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.487 6.565 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.190 8.255 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.304 7.820 -3.241 1.00 0.00 H new ATOM 504 N PHE A 36 2.195 4.871 -3.704 1.00 0.00 N ATOM 505 CA PHE A 36 1.905 3.706 -2.876 1.00 0.00 C ATOM 506 C PHE A 36 2.653 2.477 -3.386 1.00 0.00 C ATOM 507 O PHE A 36 3.069 2.426 -4.542 1.00 0.00 O ATOM 508 CB PHE A 36 0.400 3.429 -2.858 1.00 0.00 C ATOM 509 CG PHE A 36 -0.076 2.626 -4.035 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.483 3.256 -5.200 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.117 1.242 -3.976 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.922 2.518 -6.285 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.554 0.500 -5.056 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.957 1.140 -6.213 1.00 0.00 C ATOM 0 H PHE A 36 2.434 4.652 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 36 2.241 3.920 -1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.147 2.898 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.136 4.378 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.457 4.334 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.197 0.737 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.237 3.020 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.581 -0.578 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.299 0.563 -7.059 1.00 0.00 H new ATOM 524 N MET A 37 2.821 1.490 -2.512 1.00 0.00 N ATOM 525 CA MET A 37 3.517 0.261 -2.872 1.00 0.00 C ATOM 526 C MET A 37 3.057 -0.902 -1.999 1.00 0.00 C ATOM 527 O MET A 37 2.231 -0.729 -1.102 1.00 0.00 O ATOM 528 CB MET A 37 5.030 0.448 -2.735 1.00 0.00 C ATOM 529 CG MET A 37 5.491 0.638 -1.299 1.00 0.00 C ATOM 530 SD MET A 37 6.962 1.673 -1.172 1.00 0.00 S ATOM 531 CE MET A 37 8.095 0.783 -2.236 1.00 0.00 C ATOM 0 H MET A 37 2.485 1.518 -1.549 1.00 0.00 H new ATOM 0 HA MET A 37 3.278 0.029 -3.910 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.535 -0.420 -3.158 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.336 1.313 -3.324 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.685 1.087 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.698 -0.336 -0.856 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.971 1.401 -2.432 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.404 -0.140 -1.746 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.600 0.546 -3.178 1.00 0.00 H new ATOM 541 N VAL A 38 3.595 -2.087 -2.267 1.00 0.00 N ATOM 542 CA VAL A 38 3.239 -3.279 -1.505 1.00 0.00 C ATOM 543 C VAL A 38 4.438 -4.208 -1.347 1.00 0.00 C ATOM 544 O VAL A 38 5.167 -4.466 -2.305 1.00 0.00 O ATOM 545 CB VAL A 38 2.089 -4.051 -2.178 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.737 -5.293 -1.372 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.873 -3.154 -2.349 1.00 0.00 C ATOM 0 H VAL A 38 4.279 -2.248 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 38 2.913 -2.942 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 38 2.418 -4.370 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.922 -5.826 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.609 -5.944 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.427 -5.000 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.070 -3.716 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.539 -2.803 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.136 -2.299 -2.971 1.00 0.00 H new ATOM 557 N ARG A 39 4.634 -4.708 -0.132 1.00 0.00 N ATOM 558 CA ARG A 39 5.745 -5.608 0.152 1.00 0.00 C ATOM 559 C ARG A 39 5.252 -6.883 0.832 1.00 0.00 C ATOM 560 O ARG A 39 4.194 -6.893 1.461 1.00 0.00 O ATOM 561 CB ARG A 39 6.779 -4.913 1.039 1.00 0.00 C ATOM 562 CG ARG A 39 6.223 -4.451 2.376 1.00 0.00 C ATOM 563 CD ARG A 39 7.310 -3.851 3.254 1.00 0.00 C ATOM 564 NE ARG A 39 7.024 -4.027 4.676 1.00 0.00 N ATOM 565 CZ ARG A 39 7.259 -5.155 5.338 1.00 0.00 C ATOM 566 NH1 ARG A 39 7.779 -6.200 4.711 1.00 0.00 N ATOM 567 NH2 ARG A 39 6.972 -5.237 6.631 1.00 0.00 N ATOM 0 H ARG A 39 4.039 -4.505 0.671 1.00 0.00 H new ATOM 0 HA ARG A 39 6.211 -5.878 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.610 -5.596 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.182 -4.052 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.439 -3.712 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.762 -5.294 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.266 -4.317 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.409 -2.788 3.033 1.00 0.00 H new ATOM 0 HE ARG A 39 6.622 -3.242 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.000 -6.140 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.958 -7.064 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.571 -4.434 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.152 -6.103 7.140 1.00 0.00 H new ATOM 581 N ASN A 40 6.025 -7.955 0.698 1.00 0.00 N ATOM 582 CA ASN A 40 5.665 -9.236 1.298 1.00 0.00 C ATOM 583 C ASN A 40 6.541 -9.533 2.511 1.00 0.00 C ATOM 584 O ASN A 40 7.765 -9.613 2.403 1.00 0.00 O ATOM 585 CB ASN A 40 5.801 -10.360 0.269 1.00 0.00 C ATOM 586 CG ASN A 40 5.147 -11.649 0.732 1.00 0.00 C ATOM 587 OD1 ASN A 40 4.474 -11.681 1.762 1.00 0.00 O ATOM 588 ND2 ASN A 40 5.344 -12.718 -0.031 1.00 0.00 N ATOM 0 H ASN A 40 6.904 -7.963 0.180 1.00 0.00 H new ATOM 0 HA ASN A 40 4.627 -9.177 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.350 -10.044 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.857 -10.542 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.930 -13.613 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.910 -12.644 -0.877 1.00 0.00 H new ATOM 595 N SER A 41 5.906 -9.696 3.667 1.00 0.00 N ATOM 596 CA SER A 41 6.627 -9.981 4.902 1.00 0.00 C ATOM 597 C SER A 41 7.392 -11.297 4.793 1.00 0.00 C ATOM 598 O SER A 41 7.263 -12.023 3.808 1.00 0.00 O ATOM 599 CB SER A 41 5.656 -10.038 6.084 1.00 0.00 C ATOM 600 OG SER A 41 6.353 -10.142 7.313 1.00 0.00 O ATOM 0 H SER A 41 4.893 -9.636 3.774 1.00 0.00 H new ATOM 0 HA SER A 41 7.344 -9.177 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.033 -9.143 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.987 -10.891 5.968 1.00 0.00 H new ATOM 0 HG SER A 41 5.710 -10.175 8.052 1.00 0.00 H new ATOM 657 N MET A 46 2.497 -12.314 6.245 1.00 0.00 N ATOM 658 CA MET A 46 1.606 -11.163 6.155 1.00 0.00 C ATOM 659 C MET A 46 2.097 -10.175 5.103 1.00 0.00 C ATOM 660 O MET A 46 3.145 -10.378 4.489 1.00 0.00 O ATOM 661 CB MET A 46 1.497 -10.467 7.514 1.00 0.00 C ATOM 662 CG MET A 46 0.583 -11.186 8.494 1.00 0.00 C ATOM 663 SD MET A 46 -1.130 -10.635 8.377 1.00 0.00 S ATOM 664 CE MET A 46 -1.863 -11.514 9.755 1.00 0.00 C ATOM 0 HA MET A 46 0.620 -11.522 5.858 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.492 -10.384 7.951 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.129 -9.452 7.365 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.629 -12.259 8.308 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.945 -11.023 9.509 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.925 -11.276 9.815 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.739 -12.587 9.609 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.371 -11.215 10.681 1.00 0.00 H new ATOM 674 N TYR A 47 1.336 -9.105 4.900 1.00 0.00 N ATOM 675 CA TYR A 47 1.693 -8.087 3.921 1.00 0.00 C ATOM 676 C TYR A 47 1.536 -6.687 4.507 1.00 0.00 C ATOM 677 O TYR A 47 0.731 -6.466 5.412 1.00 0.00 O ATOM 678 CB TYR A 47 0.826 -8.228 2.668 1.00 0.00 C ATOM 679 CG TYR A 47 1.109 -9.483 1.874 1.00 0.00 C ATOM 680 CD1 TYR A 47 2.185 -9.545 0.996 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.300 -10.605 1.998 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.446 -10.689 0.268 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.554 -11.754 1.275 1.00 0.00 C ATOM 684 CZ TYR A 47 1.628 -11.791 0.411 1.00 0.00 C ATOM 685 OH TYR A 47 1.886 -12.932 -0.313 1.00 0.00 O ATOM 0 H TYR A 47 0.467 -8.921 5.402 1.00 0.00 H new ATOM 0 HA TYR A 47 2.739 -8.232 3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.224 -8.222 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.983 -7.360 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.827 -8.684 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.543 -10.579 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.286 -10.721 -0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.084 -12.618 1.386 1.00 0.00 H new ATOM 0 HH TYR A 47 1.218 -13.615 -0.096 1.00 0.00 H new ATOM 695 N THR A 48 2.313 -5.743 3.984 1.00 0.00 N ATOM 696 CA THR A 48 2.262 -4.365 4.454 1.00 0.00 C ATOM 697 C THR A 48 2.131 -3.390 3.288 1.00 0.00 C ATOM 698 O THR A 48 2.566 -3.679 2.174 1.00 0.00 O ATOM 699 CB THR A 48 3.516 -4.004 5.271 1.00 0.00 C ATOM 700 OG1 THR A 48 3.506 -4.704 6.519 1.00 0.00 O ATOM 701 CG2 THR A 48 3.583 -2.505 5.526 1.00 0.00 C ATOM 0 H THR A 48 2.985 -5.908 3.235 1.00 0.00 H new ATOM 0 HA THR A 48 1.384 -4.282 5.094 1.00 0.00 H new ATOM 0 HB THR A 48 4.394 -4.299 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.308 -4.470 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.477 -2.274 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.620 -1.975 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.700 -2.191 6.082 1.00 0.00 H new ATOM 709 N VAL A 49 1.531 -2.235 3.554 1.00 0.00 N ATOM 710 CA VAL A 49 1.344 -1.217 2.527 1.00 0.00 C ATOM 711 C VAL A 49 1.966 0.109 2.948 1.00 0.00 C ATOM 712 O VAL A 49 1.439 0.807 3.814 1.00 0.00 O ATOM 713 CB VAL A 49 -0.150 -0.996 2.219 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.334 0.201 1.300 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.758 -2.248 1.607 1.00 0.00 C ATOM 0 H VAL A 49 1.166 -1.980 4.472 1.00 0.00 H new ATOM 0 HA VAL A 49 1.842 -1.580 1.628 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.670 -0.788 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.395 0.342 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.063 1.094 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.198 0.027 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.813 -2.074 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.238 -2.490 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.660 -3.079 2.306 1.00 0.00 H new ATOM 725 N SER A 50 3.092 0.452 2.330 1.00 0.00 N ATOM 726 CA SER A 50 3.789 1.693 2.643 1.00 0.00 C ATOM 727 C SER A 50 3.513 2.754 1.582 1.00 0.00 C ATOM 728 O SER A 50 4.183 2.806 0.550 1.00 0.00 O ATOM 729 CB SER A 50 5.295 1.444 2.752 1.00 0.00 C ATOM 730 OG SER A 50 5.695 0.366 1.923 1.00 0.00 O ATOM 0 H SER A 50 3.541 -0.113 1.609 1.00 0.00 H new ATOM 0 HA SER A 50 3.418 2.057 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.837 2.346 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.557 1.227 3.788 1.00 0.00 H new ATOM 0 HG SER A 50 6.363 -0.177 2.392 1.00 0.00 H new ATOM 736 N LEU A 51 2.521 3.599 1.843 1.00 0.00 N ATOM 737 CA LEU A 51 2.154 4.659 0.912 1.00 0.00 C ATOM 738 C LEU A 51 2.536 6.028 1.467 1.00 0.00 C ATOM 739 O LEU A 51 2.364 6.297 2.656 1.00 0.00 O ATOM 740 CB LEU A 51 0.653 4.615 0.622 1.00 0.00 C ATOM 741 CG LEU A 51 -0.241 5.389 1.592 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.429 6.821 1.117 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.587 4.695 1.746 1.00 0.00 C ATOM 0 H LEU A 51 1.957 3.570 2.692 1.00 0.00 H new ATOM 0 HA LEU A 51 2.702 4.498 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.486 5.003 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.334 3.573 0.619 1.00 0.00 H new ATOM 0 HG LEU A 51 0.247 5.412 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.068 7.356 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.541 7.315 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.895 6.819 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.210 5.259 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.081 4.640 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.435 3.687 2.133 1.00 0.00 H new ATOM 755 N PHE A 52 3.054 6.890 0.598 1.00 0.00 N ATOM 756 CA PHE A 52 3.459 8.231 1.001 1.00 0.00 C ATOM 757 C PHE A 52 2.286 9.203 0.912 1.00 0.00 C ATOM 758 O PHE A 52 1.490 9.148 -0.025 1.00 0.00 O ATOM 759 CB PHE A 52 4.611 8.724 0.124 1.00 0.00 C ATOM 760 CG PHE A 52 5.126 10.080 0.516 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.881 10.242 1.667 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.855 11.191 -0.265 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.357 11.488 2.031 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.329 12.439 0.093 1.00 0.00 C ATOM 765 CZ PHE A 52 6.079 12.588 1.244 1.00 0.00 C ATOM 0 H PHE A 52 3.203 6.683 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 52 3.794 8.186 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.429 8.005 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.279 8.756 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.100 9.385 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.267 11.081 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.945 11.601 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.113 13.297 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.447 13.563 1.527 1.00 0.00 H new ATOM 775 N SER A 53 2.186 10.092 1.895 1.00 0.00 N ATOM 776 CA SER A 53 1.108 11.075 1.931 1.00 0.00 C ATOM 777 C SER A 53 1.666 12.494 1.879 1.00 0.00 C ATOM 778 O SER A 53 2.873 12.706 1.999 1.00 0.00 O ATOM 779 CB SER A 53 0.265 10.891 3.194 1.00 0.00 C ATOM 780 OG SER A 53 0.904 11.465 4.321 1.00 0.00 O ATOM 0 H SER A 53 2.838 10.152 2.677 1.00 0.00 H new ATOM 0 HA SER A 53 0.477 10.920 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.713 11.351 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.095 9.829 3.370 1.00 0.00 H new ATOM 0 HG SER A 53 1.796 11.073 4.426 1.00 0.00 H new ATOM 786 N LYS A 54 0.776 13.465 1.699 1.00 0.00 N ATOM 787 CA LYS A 54 1.176 14.866 1.631 1.00 0.00 C ATOM 788 C LYS A 54 -0.019 15.784 1.867 1.00 0.00 C ATOM 789 O LYS A 54 -1.108 15.549 1.343 1.00 0.00 O ATOM 790 CB LYS A 54 1.808 15.173 0.272 1.00 0.00 C ATOM 791 CG LYS A 54 2.688 16.412 0.276 1.00 0.00 C ATOM 792 CD LYS A 54 3.693 16.385 -0.863 1.00 0.00 C ATOM 793 CE LYS A 54 4.053 17.791 -1.321 1.00 0.00 C ATOM 794 NZ LYS A 54 4.429 17.825 -2.762 1.00 0.00 N ATOM 0 H LYS A 54 -0.227 13.307 1.598 1.00 0.00 H new ATOM 0 HA LYS A 54 1.912 15.046 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.403 14.316 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.017 15.302 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.065 17.302 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.216 16.481 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.595 15.863 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.281 15.823 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.207 18.456 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.881 18.168 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.667 18.800 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.252 17.210 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.630 17.489 -3.337 1.00 0.00 H new ATOM 904 N GLY A 61 6.071 15.367 3.219 1.00 0.00 N ATOM 905 CA GLY A 61 5.078 14.424 3.700 1.00 0.00 C ATOM 906 C GLY A 61 5.694 13.285 4.489 1.00 0.00 C ATOM 907 O GLY A 61 6.916 13.182 4.594 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.357 14.948 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.526 14.018 2.852 1.00 0.00 H new ATOM 911 N THR A 62 4.845 12.427 5.046 1.00 0.00 N ATOM 912 CA THR A 62 5.313 11.291 5.831 1.00 0.00 C ATOM 913 C THR A 62 4.752 9.981 5.292 1.00 0.00 C ATOM 914 O THR A 62 3.693 9.959 4.663 1.00 0.00 O ATOM 915 CB THR A 62 4.918 11.434 7.314 1.00 0.00 C ATOM 916 OG1 THR A 62 5.125 12.781 7.749 1.00 0.00 O ATOM 917 CG2 THR A 62 5.729 10.484 8.183 1.00 0.00 C ATOM 0 H THR A 62 3.830 12.497 4.968 1.00 0.00 H new ATOM 0 HA THR A 62 6.400 11.277 5.751 1.00 0.00 H new ATOM 0 HB THR A 62 3.863 11.180 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.870 12.863 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.433 10.602 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.546 9.457 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.790 10.711 8.079 1.00 0.00 H new ATOM 925 N VAL A 63 5.467 8.889 5.541 1.00 0.00 N ATOM 926 CA VAL A 63 5.039 7.573 5.080 1.00 0.00 C ATOM 927 C VAL A 63 4.165 6.884 6.122 1.00 0.00 C ATOM 928 O VAL A 63 4.484 6.877 7.311 1.00 0.00 O ATOM 929 CB VAL A 63 6.246 6.670 4.762 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.778 5.314 4.255 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.159 7.341 3.748 1.00 0.00 C ATOM 0 H VAL A 63 6.345 8.889 6.059 1.00 0.00 H new ATOM 0 HA VAL A 63 4.461 7.729 4.169 1.00 0.00 H new ATOM 0 HB VAL A 63 6.813 6.513 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.644 4.689 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.166 4.832 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.188 5.448 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.007 6.690 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.605 7.529 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.521 8.286 4.153 1.00 0.00 H new ATOM 941 N LYS A 64 3.058 6.305 5.668 1.00 0.00 N ATOM 942 CA LYS A 64 2.136 5.612 6.559 1.00 0.00 C ATOM 943 C LYS A 64 2.258 4.099 6.397 1.00 0.00 C ATOM 944 O LYS A 64 2.168 3.574 5.287 1.00 0.00 O ATOM 945 CB LYS A 64 0.697 6.050 6.280 1.00 0.00 C ATOM 946 CG LYS A 64 0.263 7.261 7.087 1.00 0.00 C ATOM 947 CD LYS A 64 0.928 8.532 6.586 1.00 0.00 C ATOM 948 CE LYS A 64 1.059 9.567 7.693 1.00 0.00 C ATOM 949 NZ LYS A 64 1.072 10.956 7.156 1.00 0.00 N ATOM 0 H LYS A 64 2.778 6.302 4.687 1.00 0.00 H new ATOM 0 HA LYS A 64 2.396 5.873 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.594 6.275 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.025 5.220 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.820 7.369 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.513 7.108 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.915 8.295 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.346 8.949 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.231 9.456 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.976 9.386 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.925 11.449 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.073 10.926 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.227 11.464 7.487 1.00 0.00 H new ATOM 963 N HIS A 65 2.461 3.404 7.512 1.00 0.00 N ATOM 964 CA HIS A 65 2.592 1.951 7.493 1.00 0.00 C ATOM 965 C HIS A 65 1.271 1.281 7.860 1.00 0.00 C ATOM 966 O HIS A 65 0.721 1.518 8.936 1.00 0.00 O ATOM 967 CB HIS A 65 3.689 1.505 8.461 1.00 0.00 C ATOM 968 CG HIS A 65 3.628 2.190 9.792 1.00 0.00 C ATOM 969 ND1 HIS A 65 2.750 1.818 10.789 1.00 0.00 N ATOM 970 CD2 HIS A 65 4.344 3.225 10.289 1.00 0.00 C ATOM 971 CE1 HIS A 65 2.928 2.598 11.841 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.889 3.460 11.564 1.00 0.00 N ATOM 0 H HIS A 65 2.538 3.823 8.439 1.00 0.00 H new ATOM 0 HA HIS A 65 2.864 1.648 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.613 0.428 8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.662 1.696 8.008 1.00 0.00 H new ATOM 0 HD1 HIS A 65 2.070 1.060 10.724 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.127 3.766 9.779 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.380 2.540 12.770 1.00 0.00 H new ATOM 981 N TYR A 66 0.767 0.446 6.958 1.00 0.00 N ATOM 982 CA TYR A 66 -0.491 -0.255 7.185 1.00 0.00 C ATOM 983 C TYR A 66 -0.298 -1.765 7.091 1.00 0.00 C ATOM 984 O TYR A 66 0.221 -2.276 6.097 1.00 0.00 O ATOM 985 CB TYR A 66 -1.543 0.201 6.172 1.00 0.00 C ATOM 986 CG TYR A 66 -1.972 1.640 6.350 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.654 2.045 7.491 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.697 2.592 5.377 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.048 3.358 7.658 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.087 3.907 5.536 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.763 4.287 6.678 1.00 0.00 C ATOM 992 OH TYR A 66 -3.154 5.596 6.839 1.00 0.00 O ATOM 0 H TYR A 66 1.210 0.238 6.063 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.836 -0.014 8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.146 0.071 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.418 -0.443 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.880 1.321 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.169 2.299 4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.577 3.656 8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.864 4.635 4.770 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.875 6.119 6.059 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.718 -2.476 8.132 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.594 -3.928 8.168 1.00 0.00 C ATOM 1004 C HIS A 67 -1.885 -4.596 7.705 1.00 0.00 C ATOM 1005 O HIS A 67 -2.960 -4.333 8.244 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.241 -4.396 9.581 1.00 0.00 C ATOM 1007 CG HIS A 67 1.221 -4.316 9.890 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.753 -3.408 10.780 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.266 -5.040 9.424 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.062 -3.574 10.847 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.399 -4.559 10.034 1.00 0.00 N ATOM 0 H HIS A 67 -1.148 -2.069 8.963 1.00 0.00 H new ATOM 0 HA HIS A 67 0.207 -4.216 7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.790 -3.792 10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.575 -5.426 9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.218 -5.846 8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.741 -3.002 11.462 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.346 -4.906 9.884 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.772 -5.461 6.702 1.00 0.00 N ATOM 1021 CA VAL A 68 -2.929 -6.166 6.166 1.00 0.00 C ATOM 1022 C VAL A 68 -3.303 -7.355 7.044 1.00 0.00 C ATOM 1023 O VAL A 68 -2.532 -8.307 7.182 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.670 -6.663 4.732 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.903 -7.360 4.176 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.250 -5.508 3.835 1.00 0.00 C ATOM 0 H VAL A 68 -0.890 -5.690 6.244 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.754 -5.454 6.152 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.855 -7.387 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.700 -7.704 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.153 -8.214 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.740 -6.662 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.071 -5.878 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.041 -4.759 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.336 -5.059 4.224 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.491 -7.296 7.638 1.00 0.00 N ATOM 1037 CA HIS A 69 -4.968 -8.369 8.502 1.00 0.00 C ATOM 1038 C HIS A 69 -5.647 -9.465 7.686 1.00 0.00 C ATOM 1039 O HIS A 69 -5.810 -9.338 6.471 1.00 0.00 O ATOM 1040 CB HIS A 69 -5.940 -7.819 9.546 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.310 -6.851 10.500 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.077 -7.061 11.080 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.749 -5.661 10.974 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.785 -6.044 11.871 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.783 -5.181 11.823 1.00 0.00 N ATOM 0 H HIS A 69 -5.141 -6.516 7.536 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.106 -8.801 9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.768 -7.327 9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.362 -8.650 10.111 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.684 -5.179 10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.884 -5.937 12.457 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.829 -4.300 12.334 1.00 0.00 H new ATOM 1054 N THR A 70 -6.042 -10.540 8.360 1.00 0.00 N ATOM 1055 CA THR A 70 -6.701 -11.659 7.697 1.00 0.00 C ATOM 1056 C THR A 70 -7.956 -12.082 8.450 1.00 0.00 C ATOM 1057 O THR A 70 -7.887 -12.495 9.607 1.00 0.00 O ATOM 1058 CB THR A 70 -5.759 -12.871 7.569 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.407 -12.426 7.413 1.00 0.00 O ATOM 1060 CG2 THR A 70 -6.153 -13.739 6.383 1.00 0.00 C ATOM 0 H THR A 70 -5.917 -10.660 9.365 1.00 0.00 H new ATOM 0 HA THR A 70 -6.977 -11.317 6.700 1.00 0.00 H new ATOM 0 HB THR A 70 -5.842 -13.466 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.814 -13.202 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.474 -14.589 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.173 -14.100 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.095 -13.151 5.467 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.103 -11.977 7.786 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.375 -12.349 8.395 1.00 0.00 C ATOM 1070 C ASN A 71 -10.492 -13.865 8.525 1.00 0.00 C ATOM 1071 O ASN A 71 -9.803 -14.613 7.833 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.540 -11.806 7.565 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.762 -11.506 8.410 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.085 -12.245 9.340 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.449 -10.415 8.090 1.00 0.00 N ATOM 0 H ASN A 71 -9.178 -11.638 6.827 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.414 -11.912 9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.225 -10.897 7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.803 -12.532 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.281 -10.161 8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.145 -9.831 7.311 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.371 -14.310 9.417 1.00 0.00 N ATOM 1083 CA ALA A 72 -11.581 -15.736 9.637 1.00 0.00 C ATOM 1084 C ALA A 72 -11.858 -16.458 8.323 1.00 0.00 C ATOM 1085 O ALA A 72 -11.696 -17.675 8.228 1.00 0.00 O ATOM 1086 CB ALA A 72 -12.726 -15.957 10.615 1.00 0.00 C ATOM 0 H ALA A 72 -11.949 -13.704 9.999 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.668 -16.151 10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.871 -17.026 10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.488 -15.482 11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.640 -15.522 10.210 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.276 -15.703 7.314 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.577 -16.273 6.006 1.00 0.00 C ATOM 1094 C GLU A 73 -11.415 -16.060 5.040 1.00 0.00 C ATOM 1095 O GLU A 73 -11.598 -16.061 3.822 1.00 0.00 O ATOM 1096 CB GLU A 73 -13.852 -15.649 5.434 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.129 -16.246 5.999 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.349 -15.917 5.160 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.434 -16.412 4.017 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.218 -15.163 5.648 1.00 0.00 O ATOM 0 H GLU A 73 -12.414 -14.694 7.376 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.731 -17.345 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.843 -14.577 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.852 -15.772 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.021 -17.328 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.280 -15.877 7.013 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.220 -15.878 5.591 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.028 -15.664 4.779 1.00 0.00 C ATOM 1109 C ASN A 74 -9.194 -14.441 3.882 1.00 0.00 C ATOM 1110 O ASN A 74 -8.607 -14.363 2.802 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.737 -16.900 3.926 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.714 -18.175 4.746 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -9.658 -18.964 4.714 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.631 -18.383 5.486 1.00 0.00 N ATOM 0 H ASN A 74 -10.051 -15.874 6.597 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.188 -15.489 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.494 -16.986 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.777 -16.775 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.558 -19.224 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.872 -17.702 5.482 1.00 0.00 H new ATOM 1121 N LYS A 75 -9.998 -13.484 4.337 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.241 -12.263 3.578 1.00 0.00 C ATOM 1123 C LYS A 75 -9.156 -11.227 3.853 1.00 0.00 C ATOM 1124 O LYS A 75 -8.920 -10.850 5.002 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.613 -11.685 3.928 1.00 0.00 C ATOM 1126 CG LYS A 75 -12.772 -12.460 3.324 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.995 -11.579 3.138 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.267 -12.406 3.031 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.478 -12.924 1.651 1.00 0.00 N ATOM 0 H LYS A 75 -10.492 -13.531 5.228 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.219 -12.514 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.725 -11.667 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.660 -10.651 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.471 -12.875 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.024 -13.302 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.078 -10.889 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.876 -10.975 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.216 -13.242 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.122 -11.797 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.355 -13.482 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.552 -12.126 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.675 -13.526 1.380 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.498 -10.770 2.793 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.439 -9.775 2.920 1.00 0.00 C ATOM 1145 C LEU A 76 -7.990 -8.365 2.728 1.00 0.00 C ATOM 1146 O LEU A 76 -8.685 -8.088 1.750 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.332 -10.046 1.900 1.00 0.00 C ATOM 1148 CG LEU A 76 -5.888 -11.502 1.763 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.283 -11.750 0.390 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -4.894 -11.863 2.858 1.00 0.00 C ATOM 0 H LEU A 76 -8.679 -11.073 1.836 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.024 -9.849 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.671 -9.697 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.463 -9.446 2.169 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.765 -12.140 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.973 -12.792 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.025 -11.533 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.417 -11.103 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.589 -12.903 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.019 -11.218 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.361 -11.726 3.833 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.672 -7.479 3.664 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.135 -6.097 3.597 1.00 0.00 C ATOM 1164 C TYR A 77 -7.164 -5.162 4.311 1.00 0.00 C ATOM 1165 O TYR A 77 -6.180 -5.605 4.906 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.528 -5.974 4.217 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.591 -6.423 5.659 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -9.216 -5.570 6.689 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.027 -7.700 5.991 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -9.271 -5.977 8.009 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.087 -8.114 7.307 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.708 -7.249 8.313 1.00 0.00 C ATOM 1173 OH TYR A 77 -9.765 -7.657 9.626 1.00 0.00 O ATOM 0 H TYR A 77 -7.096 -7.692 4.478 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.184 -5.807 2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.854 -4.936 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.231 -6.565 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.876 -4.572 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.324 -8.380 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.973 -5.302 8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.429 -9.110 7.548 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.095 -8.579 9.668 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.447 -3.866 4.248 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.600 -2.865 4.888 1.00 0.00 C ATOM 1185 C LEU A 78 -7.341 -2.174 6.028 1.00 0.00 C ATOM 1186 O LEU A 78 -6.737 -1.782 7.027 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.137 -1.829 3.864 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.928 -2.220 3.012 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.590 -1.114 2.024 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.730 -2.530 3.898 1.00 0.00 C ATOM 0 H LEU A 78 -8.257 -3.483 3.760 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.728 -3.373 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.971 -1.609 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.900 -0.906 4.393 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.181 -3.118 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.728 -1.410 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.443 -0.939 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.357 -0.199 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.879 -2.806 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.477 -1.650 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.975 -3.356 4.565 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.653 -2.030 5.874 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.477 -1.390 6.892 1.00 0.00 C ATOM 1204 C ALA A 79 -10.540 -2.348 7.420 1.00 0.00 C ATOM 1205 O ALA A 79 -11.386 -2.825 6.665 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.128 -0.134 6.331 1.00 0.00 C ATOM 0 H ALA A 79 -9.168 -2.348 5.053 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.831 -1.111 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.740 0.334 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.355 0.564 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.756 -0.399 5.480 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.487 -2.625 8.719 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.445 -3.528 9.346 1.00 0.00 C ATOM 1214 C GLU A 80 -12.870 -3.195 8.911 1.00 0.00 C ATOM 1215 O GLU A 80 -13.590 -4.053 8.399 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.334 -3.447 10.870 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.022 -3.987 11.413 1.00 0.00 C ATOM 1218 CD GLU A 80 -9.832 -3.685 12.887 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -9.941 -2.501 13.269 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -9.574 -4.633 13.658 1.00 0.00 O ATOM 0 H GLU A 80 -9.792 -2.238 9.357 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.212 -4.544 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.446 -2.408 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.159 -4.003 11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.986 -5.066 11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.195 -3.557 10.848 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.271 -1.946 9.120 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.610 -1.500 8.752 1.00 0.00 C ATOM 1229 C ASN A 81 -14.992 -2.016 7.368 1.00 0.00 C ATOM 1230 O ASN A 81 -16.171 -2.214 7.072 1.00 0.00 O ATOM 1231 CB ASN A 81 -14.686 0.028 8.778 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.086 0.531 9.075 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -17.075 -0.130 8.760 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -16.174 1.707 9.684 1.00 0.00 N ATOM 0 H ASN A 81 -12.688 -1.224 9.543 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.314 -1.904 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -13.998 0.411 9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -14.357 0.422 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -17.089 2.097 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -15.327 2.220 9.927 1.00 0.00 H new ATOM 1241 N TYR A 82 -13.989 -2.233 6.525 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.220 -2.724 5.172 1.00 0.00 C ATOM 1243 C TYR A 82 -13.563 -4.086 4.966 1.00 0.00 C ATOM 1244 O TYR A 82 -12.900 -4.608 5.863 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.682 -1.726 4.145 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.518 -0.471 4.025 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -15.691 -0.463 3.280 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.135 0.706 4.655 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -16.457 0.680 3.166 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.895 1.854 4.549 1.00 0.00 C ATOM 1251 CZ TYR A 82 -16.056 1.836 3.803 1.00 0.00 C ATOM 1252 OH TYR A 82 -16.816 2.978 3.694 1.00 0.00 O ATOM 0 H TYR A 82 -13.008 -2.077 6.755 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.295 -2.835 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.664 -1.449 4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.630 -2.212 3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.009 -1.367 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.226 0.724 5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.365 0.669 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.583 2.760 5.047 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.394 3.701 4.203 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.752 -4.653 3.780 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.177 -5.955 3.455 1.00 0.00 C ATOM 1264 C CYS A 83 -13.108 -6.156 1.945 1.00 0.00 C ATOM 1265 O CYS A 83 -13.961 -5.671 1.203 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.003 -7.073 4.094 1.00 0.00 C ATOM 1267 SG CYS A 83 -15.717 -7.144 3.521 1.00 0.00 S ATOM 0 H CYS A 83 -14.298 -4.233 3.028 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.163 -5.988 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.522 -8.029 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.998 -6.941 5.176 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.805 -6.593 2.347 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.082 -6.873 1.496 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.899 -7.136 0.074 1.00 0.00 C ATOM 1275 C PHE A 84 -11.769 -8.634 -0.189 1.00 0.00 C ATOM 1276 O PHE A 84 -11.897 -9.449 0.724 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.658 -6.408 -0.445 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.744 -4.913 -0.317 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.335 -4.280 0.846 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.232 -4.141 -1.358 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.413 -2.905 0.968 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.312 -2.766 -1.242 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.901 -2.147 -0.079 1.00 0.00 C ATOM 0 H PHE A 84 -11.366 -7.282 2.096 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.777 -6.766 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.784 -6.762 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.506 -6.667 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.951 -4.868 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.554 -4.619 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.093 -2.424 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.696 -2.176 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.961 -1.073 0.012 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.516 -8.988 -1.444 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.368 -10.387 -1.830 1.00 0.00 C ATOM 1295 C ASP A 85 -9.909 -10.823 -1.745 1.00 0.00 C ATOM 1296 O ASP A 85 -9.603 -11.908 -1.253 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.898 -10.606 -3.247 1.00 0.00 C ATOM 1298 CG ASP A 85 -12.033 -12.076 -3.594 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -12.892 -12.751 -2.992 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -11.279 -12.549 -4.470 1.00 0.00 O ATOM 0 H ASP A 85 -11.409 -8.325 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.950 -10.993 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.869 -10.121 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.227 -10.127 -3.961 1.00 0.00 H new ATOM 1305 N SER A 86 -9.013 -9.970 -2.231 1.00 0.00 N ATOM 1306 CA SER A 86 -7.586 -10.268 -2.215 1.00 0.00 C ATOM 1307 C SER A 86 -6.763 -8.988 -2.115 1.00 0.00 C ATOM 1308 O SER A 86 -7.310 -7.884 -2.114 1.00 0.00 O ATOM 1309 CB SER A 86 -7.191 -11.045 -3.473 1.00 0.00 C ATOM 1310 OG SER A 86 -8.251 -11.878 -3.912 1.00 0.00 O ATOM 0 H SER A 86 -9.250 -9.067 -2.641 1.00 0.00 H new ATOM 0 HA SER A 86 -7.379 -10.881 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.921 -10.347 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.309 -11.651 -3.268 1.00 0.00 H new ATOM 0 HG SER A 86 -7.974 -12.362 -4.718 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.446 -9.143 -2.032 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.547 -8.000 -1.933 1.00 0.00 C ATOM 1318 C ILE A 87 -4.598 -7.149 -3.198 1.00 0.00 C ATOM 1319 O ILE A 87 -4.902 -5.956 -3.162 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.094 -8.446 -1.685 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.816 -8.541 -0.184 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.123 -7.480 -2.348 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.707 -9.509 0.165 1.00 0.00 C ATOM 0 H ILE A 87 -4.978 -10.049 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.885 -7.405 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.952 -9.433 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.556 -7.552 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.729 -8.847 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.100 -7.809 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.309 -7.457 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.263 -6.482 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.565 -9.525 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.974 -10.508 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.783 -9.193 -0.318 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.296 -7.776 -4.344 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.302 -7.097 -5.643 1.00 0.00 C ATOM 1337 C PRO A 88 -5.710 -6.732 -6.100 1.00 0.00 C ATOM 1338 O PRO A 88 -5.889 -5.937 -7.023 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.684 -8.131 -6.588 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.962 -9.445 -5.944 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.925 -9.197 -4.461 1.00 0.00 C ATOM 0 HA PRO A 88 -3.760 -6.152 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.129 -8.075 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.613 -7.968 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.934 -9.832 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.218 -10.187 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.625 -9.840 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.936 -9.390 -4.046 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.709 -7.318 -5.448 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.103 -7.054 -5.785 1.00 0.00 C ATOM 1351 C LYS A 89 -8.608 -5.805 -5.070 1.00 0.00 C ATOM 1352 O LYS A 89 -9.623 -5.223 -5.458 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.975 -8.255 -5.414 1.00 0.00 C ATOM 1354 CG LYS A 89 -9.035 -9.321 -6.494 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.139 -9.037 -7.499 1.00 0.00 C ATOM 1356 CE LYS A 89 -9.721 -7.970 -8.499 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.415 -8.132 -9.806 1.00 0.00 N ATOM 0 H LYS A 89 -6.579 -7.979 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.166 -6.886 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.592 -8.701 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.986 -7.907 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.076 -9.371 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.202 -10.296 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.394 -9.954 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.037 -8.712 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.941 -6.984 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.643 -8.018 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.103 -7.386 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.185 -9.063 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.443 -8.061 -9.664 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.895 -5.397 -4.026 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.271 -4.215 -3.257 1.00 0.00 C ATOM 1373 C LEU A 90 -7.677 -2.952 -3.875 1.00 0.00 C ATOM 1374 O LEU A 90 -8.309 -1.896 -3.878 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.804 -4.356 -1.808 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.605 -3.050 -1.037 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.516 -3.320 0.457 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.359 -2.327 -1.526 1.00 0.00 C ATOM 0 H LEU A 90 -7.053 -5.867 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.358 -4.130 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.531 -4.965 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.862 -4.905 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.467 -2.408 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.374 -2.379 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.437 -3.794 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.673 -3.981 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.233 -1.400 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.487 -2.963 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.463 -2.099 -2.587 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.462 -3.072 -4.398 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.785 -1.941 -5.021 1.00 0.00 C ATOM 1392 C ILE A 91 -6.504 -1.502 -6.293 1.00 0.00 C ATOM 1393 O ILE A 91 -6.358 -0.364 -6.740 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.322 -2.280 -5.364 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.611 -2.862 -4.140 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.595 -1.041 -5.867 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.337 -1.841 -3.059 1.00 0.00 C ATOM 0 H ILE A 91 -5.926 -3.940 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.801 -1.126 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.313 -3.029 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.219 -3.665 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.668 -3.307 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.563 -1.297 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.092 -0.666 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.609 -0.272 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.832 -2.324 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.703 -1.049 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.279 -1.413 -2.716 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.284 -2.412 -6.868 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.029 -2.118 -8.088 1.00 0.00 C ATOM 1411 C HIS A 92 -9.211 -1.200 -7.793 1.00 0.00 C ATOM 1412 O HIS A 92 -9.722 -0.524 -8.686 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.522 -3.413 -8.734 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.855 -3.267 -10.187 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.813 -2.394 -10.657 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -8.349 -3.891 -11.278 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.884 -2.487 -11.972 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -9.005 -3.388 -12.374 1.00 0.00 N ATOM 0 H HIS A 92 -7.417 -3.358 -6.510 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.359 -1.608 -8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.757 -4.181 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.406 -3.762 -8.200 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -10.379 -1.773 -10.079 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.574 -4.643 -11.284 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.548 -1.923 -12.610 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.641 -1.182 -6.536 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.767 -0.350 -6.125 1.00 0.00 C ATOM 1429 C TYR A 93 -10.287 1.021 -5.657 1.00 0.00 C ATOM 1430 O TYR A 93 -10.594 2.042 -6.274 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.554 -1.037 -5.009 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.995 -0.589 -4.921 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.906 -0.914 -5.918 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.446 0.161 -3.841 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -15.224 -0.506 -5.842 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.763 0.571 -3.756 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.647 0.236 -4.760 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.960 0.644 -4.680 1.00 0.00 O ATOM 0 H TYR A 93 -9.227 -1.734 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.419 -0.212 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.526 -2.115 -5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.063 -0.842 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.579 -1.496 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.755 0.428 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.919 -0.767 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.098 1.150 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.094 1.156 -3.855 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.532 1.034 -4.564 1.00 0.00 N ATOM 1449 CA HIS A 94 -9.009 2.279 -4.012 1.00 0.00 C ATOM 1450 C HIS A 94 -8.498 3.193 -5.122 1.00 0.00 C ATOM 1451 O HIS A 94 -8.969 4.319 -5.277 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.884 1.987 -3.018 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.373 1.643 -1.645 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.484 2.571 -0.631 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.784 0.465 -1.121 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.940 1.978 0.459 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.130 0.699 0.188 1.00 0.00 N ATOM 0 H HIS A 94 -9.269 0.198 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.821 2.787 -3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.280 1.162 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.231 2.857 -2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.831 -0.483 -1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.126 2.457 1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.477 -0.001 0.844 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.531 2.700 -5.890 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.956 3.473 -6.984 1.00 0.00 C ATOM 1468 C GLN A 95 -8.015 4.346 -7.649 1.00 0.00 C ATOM 1469 O GLN A 95 -7.748 5.489 -8.024 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.324 2.541 -8.018 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.191 3.183 -8.804 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.690 4.119 -9.888 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -5.462 5.328 -9.832 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -6.374 3.565 -10.881 1.00 0.00 N ATOM 0 H GLN A 95 -7.130 1.769 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.184 4.122 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.946 1.653 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.094 2.208 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.547 3.736 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.580 2.402 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.539 2.559 -10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.734 4.146 -11.638 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.220 3.802 -7.792 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.319 4.532 -8.413 1.00 0.00 C ATOM 1485 C HIS A 96 -11.023 5.423 -7.393 1.00 0.00 C ATOM 1486 O HIS A 96 -11.363 6.568 -7.686 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.322 3.556 -9.032 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.963 3.134 -10.424 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.058 3.974 -11.513 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.505 1.953 -10.901 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.677 3.327 -12.600 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.335 2.099 -12.255 1.00 0.00 N ATOM 0 H HIS A 96 -9.459 2.859 -7.486 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.905 5.164 -9.199 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.394 2.671 -8.400 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.308 4.020 -9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.310 1.062 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.650 3.733 -13.600 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.999 1.376 -12.892 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.239 4.888 -6.195 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.903 5.633 -5.134 1.00 0.00 C ATOM 1503 C ASN A 97 -11.579 5.040 -3.767 1.00 0.00 C ATOM 1504 O ASN A 97 -11.857 3.870 -3.504 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.419 5.636 -5.354 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.903 4.377 -6.047 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.175 4.383 -7.248 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -14.015 3.292 -5.291 1.00 0.00 N ATOM 0 H ASN A 97 -10.963 3.941 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.536 6.659 -5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.923 5.735 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.696 6.505 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.338 2.416 -5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.778 3.334 -4.300 1.00 0.00 H new ATOM 1515 N SER A 98 -10.989 5.856 -2.898 1.00 0.00 N ATOM 1516 CA SER A 98 -10.623 5.411 -1.559 1.00 0.00 C ATOM 1517 C SER A 98 -11.804 4.735 -0.869 1.00 0.00 C ATOM 1518 O SER A 98 -12.915 4.710 -1.398 1.00 0.00 O ATOM 1519 CB SER A 98 -10.137 6.595 -0.720 1.00 0.00 C ATOM 1520 OG SER A 98 -9.215 6.174 0.270 1.00 0.00 O ATOM 0 H SER A 98 -10.755 6.828 -3.098 1.00 0.00 H new ATOM 0 HA SER A 98 -9.815 4.685 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.667 7.335 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.989 7.082 -0.245 1.00 0.00 H new ATOM 0 HG SER A 98 -8.850 6.958 0.731 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.555 4.186 0.316 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.597 3.513 1.080 1.00 0.00 C ATOM 1528 C ALA A 99 -12.904 4.263 2.372 1.00 0.00 C ATOM 1529 O ALA A 99 -13.968 4.862 2.515 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.185 2.080 1.384 1.00 0.00 C ATOM 0 H ALA A 99 -10.640 4.195 0.767 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.504 3.499 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.972 1.588 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.024 1.542 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.263 2.082 1.965 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.963 4.225 3.311 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.153 4.904 4.579 1.00 0.00 C ATOM 1538 C GLY A 100 -11.092 5.956 4.837 1.00 0.00 C ATOM 1539 O GLY A 100 -11.016 6.957 4.126 1.00 0.00 O ATOM 0 H GLY A 100 -11.073 3.736 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.137 5.373 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.138 4.171 5.386 1.00 0.00 H new ATOM 1543 N MET A 101 -10.273 5.730 5.859 1.00 0.00 N ATOM 1544 CA MET A 101 -9.213 6.667 6.209 1.00 0.00 C ATOM 1545 C MET A 101 -8.035 6.540 5.248 1.00 0.00 C ATOM 1546 O MET A 101 -7.529 7.538 4.734 1.00 0.00 O ATOM 1547 CB MET A 101 -8.743 6.426 7.645 1.00 0.00 C ATOM 1548 CG MET A 101 -7.659 7.389 8.100 1.00 0.00 C ATOM 1549 SD MET A 101 -8.260 9.080 8.273 1.00 0.00 S ATOM 1550 CE MET A 101 -6.970 9.986 7.419 1.00 0.00 C ATOM 0 H MET A 101 -10.323 4.906 6.459 1.00 0.00 H new ATOM 0 HA MET A 101 -9.615 7.677 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.597 6.510 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.370 5.405 7.730 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.256 7.051 9.055 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.838 7.371 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.199 11.052 7.440 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.014 9.810 7.913 1.00 0.00 H new ATOM 0 HE3 MET A 101 -6.912 9.648 6.384 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.601 5.306 5.011 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.484 5.049 4.112 1.00 0.00 C ATOM 1562 C ILE A 102 -6.477 6.035 2.948 1.00 0.00 C ATOM 1563 O ILE A 102 -7.393 6.049 2.126 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.529 3.614 3.554 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.477 2.597 4.696 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.380 3.387 2.583 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -5.157 2.587 5.437 1.00 0.00 C ATOM 0 H ILE A 102 -8.007 4.469 5.430 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.573 5.174 4.697 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.467 3.479 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.279 2.814 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.666 1.602 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.425 2.369 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.458 4.092 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.432 3.537 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.192 1.843 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.353 2.340 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.975 3.571 5.869 1.00 0.00 H new ATOM 1579 N THR A 103 -5.435 6.858 2.884 1.00 0.00 N ATOM 1580 CA THR A 103 -5.306 7.847 1.822 1.00 0.00 C ATOM 1581 C THR A 103 -5.403 7.194 0.448 1.00 0.00 C ATOM 1582 O THR A 103 -4.769 6.169 0.192 1.00 0.00 O ATOM 1583 CB THR A 103 -3.972 8.610 1.923 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.840 9.195 3.223 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.888 9.696 0.861 1.00 0.00 C ATOM 0 H THR A 103 -4.668 6.859 3.556 1.00 0.00 H new ATOM 0 HA THR A 103 -6.128 8.552 1.945 1.00 0.00 H new ATOM 0 HB THR A 103 -3.160 7.901 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.989 9.677 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.937 10.221 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.959 9.244 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.707 10.402 0.997 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.198 7.793 -0.432 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.376 7.268 -1.780 1.00 0.00 C ATOM 1595 C ARG A 104 -5.028 6.973 -2.433 1.00 0.00 C ATOM 1596 O ARG A 104 -3.989 7.451 -1.978 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.163 8.260 -2.638 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.343 9.458 -3.090 1.00 0.00 C ATOM 1599 CD ARG A 104 -6.370 10.573 -2.057 1.00 0.00 C ATOM 1600 NE ARG A 104 -5.430 11.643 -2.383 1.00 0.00 N ATOM 1601 CZ ARG A 104 -5.603 12.492 -3.390 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -6.674 12.396 -4.165 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -4.703 13.439 -3.623 1.00 0.00 N ATOM 0 H ARG A 104 -6.729 8.642 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.937 6.336 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.549 7.742 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.025 8.613 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.313 9.149 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.732 9.829 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.378 10.983 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.128 10.164 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.595 11.744 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.368 11.669 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.805 13.049 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.878 13.515 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.837 14.090 -4.396 1.00 0.00 H new ATOM 1617 N LEU A 105 -5.054 6.183 -3.500 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.834 5.824 -4.216 1.00 0.00 C ATOM 1619 C LEU A 105 -3.708 6.618 -5.511 1.00 0.00 C ATOM 1620 O LEU A 105 -4.675 6.761 -6.260 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.821 4.325 -4.520 1.00 0.00 C ATOM 1622 CG LEU A 105 -4.239 3.402 -3.374 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.623 2.023 -3.547 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.839 4.003 -2.034 1.00 0.00 C ATOM 0 H LEU A 105 -5.906 5.779 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.984 6.067 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.482 4.141 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.815 4.047 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.324 3.297 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.932 1.381 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.959 1.590 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.536 2.108 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.144 3.334 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.758 4.138 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.329 4.969 -1.908 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.510 7.132 -5.770 1.00 0.00 N ATOM 1637 CA ARG A 106 -2.257 7.911 -6.976 1.00 0.00 C ATOM 1638 C ARG A 106 -1.443 7.106 -7.983 1.00 0.00 C ATOM 1639 O ARG A 106 -1.960 6.679 -9.017 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.521 9.206 -6.627 1.00 0.00 C ATOM 1641 CG ARG A 106 -2.445 10.343 -6.224 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.839 11.698 -6.556 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.851 11.964 -7.993 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.942 12.307 -8.667 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -4.104 12.424 -8.040 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -2.873 12.534 -9.973 1.00 0.00 N ATOM 0 H ARG A 106 -1.699 7.023 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.218 8.158 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.824 9.009 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.927 9.519 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.401 10.235 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.648 10.286 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.393 12.480 -6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.814 11.737 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.973 11.882 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.162 12.250 -7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.940 12.688 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.981 12.445 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.712 12.797 -10.490 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.166 6.900 -7.677 1.00 0.00 N ATOM 1661 CA HIS A 107 0.720 6.145 -8.556 1.00 0.00 C ATOM 1662 C HIS A 107 1.446 5.049 -7.782 1.00 0.00 C ATOM 1663 O HIS A 107 1.776 5.199 -6.606 1.00 0.00 O ATOM 1664 CB HIS A 107 1.736 7.079 -9.213 1.00 0.00 C ATOM 1665 CG HIS A 107 1.201 7.797 -10.414 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.266 7.280 -11.691 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.585 8.997 -10.526 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.716 8.133 -12.537 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.294 9.182 -11.855 1.00 0.00 N ATOM 0 H HIS A 107 0.279 7.246 -6.827 1.00 0.00 H new ATOM 0 HA HIS A 107 0.112 5.678 -9.331 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.069 7.813 -8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.612 6.501 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.364 9.681 -9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.627 7.996 -13.605 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.173 9.998 -12.251 1.00 0.00 H new ATOM 1678 N PRO A 108 1.700 3.918 -8.457 1.00 0.00 N ATOM 1679 CA PRO A 108 2.390 2.773 -7.853 1.00 0.00 C ATOM 1680 C PRO A 108 3.863 3.059 -7.584 1.00 0.00 C ATOM 1681 O PRO A 108 4.445 3.972 -8.170 1.00 0.00 O ATOM 1682 CB PRO A 108 2.242 1.674 -8.908 1.00 0.00 C ATOM 1683 CG PRO A 108 2.076 2.404 -10.196 1.00 0.00 C ATOM 1684 CD PRO A 108 1.335 3.669 -9.862 1.00 0.00 C ATOM 0 HA PRO A 108 1.971 2.510 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.118 1.026 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.381 1.039 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.043 2.626 -10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.519 1.804 -10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.637 4.494 -10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.258 3.548 -9.982 1.00 0.00 H new ATOM 1692 N VAL A 109 4.461 2.274 -6.693 1.00 0.00 N ATOM 1693 CA VAL A 109 5.866 2.443 -6.348 1.00 0.00 C ATOM 1694 C VAL A 109 6.514 1.104 -6.011 1.00 0.00 C ATOM 1695 O VAL A 109 6.010 0.351 -5.179 1.00 0.00 O ATOM 1696 CB VAL A 109 6.041 3.399 -5.154 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.429 3.255 -4.551 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.783 4.836 -5.580 1.00 0.00 C ATOM 0 H VAL A 109 3.993 1.515 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 109 6.356 2.872 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 109 5.311 3.133 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.533 3.939 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.571 2.231 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.180 3.492 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.911 5.498 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.488 5.115 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.765 4.926 -5.959 1.00 0.00 H new ATOM 1708 N SER A 110 7.635 0.815 -6.664 1.00 0.00 N ATOM 1709 CA SER A 110 8.351 -0.436 -6.436 1.00 0.00 C ATOM 1710 C SER A 110 9.445 -0.253 -5.389 1.00 0.00 C ATOM 1711 O SER A 110 10.430 0.443 -5.621 1.00 0.00 O ATOM 1712 CB SER A 110 8.962 -0.943 -7.744 1.00 0.00 C ATOM 1713 OG SER A 110 8.051 -1.775 -8.444 1.00 0.00 O ATOM 0 H SER A 110 8.067 1.429 -7.354 1.00 0.00 H new ATOM 0 HA SER A 110 7.637 -1.172 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.241 -0.096 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.876 -1.497 -7.531 1.00 0.00 H new ATOM 0 HG SER A 110 7.180 -1.757 -7.995 1.00 0.00 H new