USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 891 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 62 SER OG : rot 94:sc= 0.0342 USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0.0307 USER MOD Set 2.1: A 26 SER OG : rot 130:sc= 0.543 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -116:sc= 0.791 (180deg=-0.0624) USER MOD Set 3.1: A 19 THR OG1 : rot 82:sc= 0.911 USER MOD Set 3.2: A 122 SER OG : rot -11:sc= 1.23 USER MOD Set 4.1: A 13 HIS :FLIP no HD1:sc= -2.19 F(o=-5.2,f=-4.1) USER MOD Set 4.2: A 86 ASN : amide:sc= -1.93 K(o=-4.1,f=-9.8!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.1) USER MOD Single : A 15 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.3!) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.21 F(o=-2.5,f=-1.2) USER MOD Single : A 21 THR OG1 : rot -5:sc= 0.178 USER MOD Single : A 22 ASN : amide:sc= -0.09 K(o=-0.09,f=-0.86) USER MOD Single : A 25 TYR OH : rot -174:sc= 0.178 USER MOD Single : A 27 GLN : amide:sc= -0.933 K(o=-0.93,f=-5.4!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -100:sc= 0.185 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.12 K(o=1.1,f=-0.091) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.105 (180deg=-0.403) USER MOD Single : A 43 SER OG : rot -136:sc= 0.261! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 50 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2!) USER MOD Single : A 54 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.062) USER MOD Single : A 55 SER OG : rot 42:sc= 0.517 USER MOD Single : A 56 SER OG : rot 92:sc= 0.0401 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0186 (180deg=-0.212) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 80:sc= -0.739 USER MOD Single : A 65 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.6!) USER MOD Single : A 71 SER OG : rot 84:sc= 2.14 USER MOD Single : A 77 ASN : amide:sc= -0.703 X(o=-0.7,f=-0.43) USER MOD Single : A 78 HIS :FLIP no HE2:sc= -0.457 F(o=-1.7,f=-0.46) USER MOD Single : A 79 THR OG1 : rot 86:sc= -0.905 USER MOD Single : A 83 SER OG : rot -148:sc= -2.57! USER MOD Single : A 85 CYS SG : rot 70:sc= -7.59! USER MOD Single : A 100 TYR OH : rot 23:sc= 0.0325 USER MOD Single : A 106 MET CE :methyl -118:sc= -4.94! (180deg=-10.8!) USER MOD Single : A 107 THR OG1 : rot -93:sc= -0.635 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 111 THR OG1 : rot -83:sc= 1.12 USER MOD Single : A 112 GLN : amide:sc= -0.355 K(o=-0.35,f=-2.7!) USER MOD Single : A 115 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.051) USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 2.138 18.619 -5.742 1.00 0.00 N ATOM 102 CA SER A 11 1.576 17.325 -5.376 1.00 0.00 C ATOM 103 C SER A 11 1.821 16.295 -6.473 1.00 0.00 C ATOM 104 O SER A 11 2.098 16.648 -7.619 1.00 0.00 O ATOM 105 CB SER A 11 0.075 17.456 -5.108 1.00 0.00 C ATOM 106 OG SER A 11 -0.179 18.366 -4.051 1.00 0.00 O ATOM 0 HA SER A 11 2.072 16.985 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.430 17.795 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.339 16.479 -4.858 1.00 0.00 H new ATOM 0 HG SER A 11 -1.145 18.432 -3.902 1.00 0.00 H new ATOM 111 N GLN A 12 1.717 15.020 -6.113 1.00 0.00 N ATOM 112 CA GLN A 12 1.928 13.937 -7.068 1.00 0.00 C ATOM 113 C GLN A 12 0.996 12.765 -6.780 1.00 0.00 C ATOM 114 O GLN A 12 0.508 12.606 -5.661 1.00 0.00 O ATOM 115 CB GLN A 12 3.384 13.467 -7.031 1.00 0.00 C ATOM 116 CG GLN A 12 3.987 13.449 -5.634 1.00 0.00 C ATOM 117 CD GLN A 12 5.068 14.495 -5.453 1.00 0.00 C ATOM 118 OE1 GLN A 12 4.808 15.597 -4.969 1.00 0.00 O ATOM 119 NE2 GLN A 12 6.291 14.155 -5.842 1.00 0.00 N ATOM 0 H GLN A 12 1.488 14.711 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 12 1.704 14.320 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.444 12.465 -7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.983 14.119 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.199 13.616 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.405 12.462 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.462 13.231 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.060 14.818 -5.745 1.00 0.00 H new ATOM 128 N HIS A 13 0.754 11.949 -7.800 1.00 0.00 N ATOM 129 CA HIS A 13 -0.120 10.789 -7.664 1.00 0.00 C ATOM 130 C HIS A 13 0.472 9.579 -8.380 1.00 0.00 C ATOM 131 O HIS A 13 0.569 9.559 -9.607 1.00 0.00 O ATOM 132 CB HIS A 13 -1.507 11.107 -8.229 1.00 0.00 C ATOM 133 CG HIS A 13 -2.241 12.154 -7.452 1.00 0.00 C ATOM 134 ND1 HIS A 13 -1.938 13.452 -7.208 1.00 0.00 N flip ATOM 135 CD2 HIS A 13 -3.441 11.917 -6.815 1.00 0.00 C flip ATOM 136 CE1 HIS A 13 -2.950 13.968 -6.437 1.00 0.00 C flip ATOM 137 NE2 HIS A 13 -3.845 13.023 -6.215 1.00 0.00 N flip ATOM 0 H HIS A 13 1.151 12.070 -8.732 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.212 10.550 -6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.403 11.439 -9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.102 10.194 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.968 10.975 -6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.005 14.983 -6.071 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.702 13.129 -5.673 1.00 0.00 H new ATOM 146 N PHE A 14 0.868 8.570 -7.607 1.00 0.00 N ATOM 147 CA PHE A 14 1.450 7.358 -8.174 1.00 0.00 C ATOM 148 C PHE A 14 0.464 6.197 -8.106 1.00 0.00 C ATOM 149 O PHE A 14 0.056 5.776 -7.024 1.00 0.00 O ATOM 150 CB PHE A 14 2.743 6.993 -7.442 1.00 0.00 C ATOM 151 CG PHE A 14 3.674 8.157 -7.251 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.508 8.570 -8.279 1.00 0.00 C ATOM 153 CD2 PHE A 14 3.715 8.839 -6.044 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.365 9.640 -8.106 1.00 0.00 C ATOM 155 CE2 PHE A 14 4.571 9.910 -5.867 1.00 0.00 C ATOM 156 CZ PHE A 14 5.397 10.311 -6.899 1.00 0.00 C ATOM 0 H PHE A 14 0.796 8.568 -6.590 1.00 0.00 H new ATOM 0 HA PHE A 14 1.680 7.553 -9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.493 6.574 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.260 6.213 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.487 8.050 -9.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.071 8.530 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.010 9.952 -8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.594 10.433 -4.922 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.066 11.147 -6.762 1.00 0.00 H new ATOM 166 N ASN A 15 0.079 5.690 -9.273 1.00 0.00 N ATOM 167 CA ASN A 15 -0.866 4.582 -9.357 1.00 0.00 C ATOM 168 C ASN A 15 -0.351 3.348 -8.621 1.00 0.00 C ATOM 169 O ASN A 15 0.572 2.677 -9.083 1.00 0.00 O ATOM 170 CB ASN A 15 -1.142 4.236 -10.823 1.00 0.00 C ATOM 171 CG ASN A 15 -2.491 4.745 -11.294 1.00 0.00 C ATOM 172 OD1 ASN A 15 -2.875 5.878 -11.006 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.217 3.907 -12.023 1.00 0.00 N ATOM 0 H ASN A 15 0.408 6.030 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.792 4.898 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.357 4.663 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.100 3.155 -10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.133 4.194 -12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.859 2.976 -12.238 1.00 0.00 H new ATOM 180 N LEU A 16 -0.964 3.047 -7.478 1.00 0.00 N ATOM 181 CA LEU A 16 -0.580 1.886 -6.684 1.00 0.00 C ATOM 182 C LEU A 16 -1.341 0.649 -7.152 1.00 0.00 C ATOM 183 O LEU A 16 -2.563 0.681 -7.292 1.00 0.00 O ATOM 184 CB LEU A 16 -0.862 2.140 -5.202 1.00 0.00 C ATOM 185 CG LEU A 16 -0.150 1.194 -4.233 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.361 1.345 -4.348 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.606 1.453 -2.805 1.00 0.00 C ATOM 0 H LEU A 16 -1.729 3.593 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 16 0.488 1.715 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.573 3.164 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.936 2.065 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.412 0.170 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.849 0.664 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.674 1.109 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.643 2.371 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.090 0.771 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.374 2.482 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.681 1.291 -2.732 1.00 0.00 H new ATOM 199 N ASN A 17 -0.616 -0.438 -7.399 1.00 0.00 N ATOM 200 CA ASN A 17 -1.240 -1.673 -7.857 1.00 0.00 C ATOM 201 C ASN A 17 -0.483 -2.900 -7.360 1.00 0.00 C ATOM 202 O ASN A 17 0.748 -2.914 -7.323 1.00 0.00 O ATOM 203 CB ASN A 17 -1.313 -1.693 -9.385 1.00 0.00 C ATOM 204 CG ASN A 17 -2.114 -0.533 -9.941 1.00 0.00 C ATOM 205 OD1 ASN A 17 -1.496 0.641 -9.999 1.00 0.00 O flip ATOM 206 ND2 ASN A 17 -3.277 -0.690 -10.314 1.00 0.00 N flip ATOM 0 H ASN A 17 0.397 -0.488 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.248 -1.707 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.303 -1.663 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.762 -2.631 -9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.713 -1.610 -10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.804 0.100 -10.686 1.00 0.00 H new ATOM 213 N PHE A 18 -1.233 -3.933 -6.986 1.00 0.00 N ATOM 214 CA PHE A 18 -0.647 -5.178 -6.498 1.00 0.00 C ATOM 215 C PHE A 18 -1.738 -6.193 -6.171 1.00 0.00 C ATOM 216 O PHE A 18 -2.525 -6.000 -5.244 1.00 0.00 O ATOM 217 CB PHE A 18 0.222 -4.921 -5.263 1.00 0.00 C ATOM 218 CG PHE A 18 -0.541 -4.404 -4.077 1.00 0.00 C ATOM 219 CD1 PHE A 18 -0.903 -3.070 -4.000 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.891 -5.253 -3.039 1.00 0.00 C ATOM 221 CE1 PHE A 18 -1.601 -2.589 -2.908 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.590 -4.779 -1.945 1.00 0.00 C ATOM 223 CZ PHE A 18 -1.945 -3.446 -1.879 1.00 0.00 C ATOM 0 H PHE A 18 -2.253 -3.932 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.016 -5.586 -7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.723 -5.848 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.001 -4.204 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.637 -2.397 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.615 -6.296 -3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.877 -1.546 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.858 -5.450 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.491 -3.073 -1.025 1.00 0.00 H new ATOM 233 N THR A 19 -1.784 -7.273 -6.947 1.00 0.00 N ATOM 234 CA THR A 19 -2.781 -8.318 -6.750 1.00 0.00 C ATOM 235 C THR A 19 -2.517 -9.099 -5.467 1.00 0.00 C ATOM 236 O THR A 19 -1.396 -9.541 -5.217 1.00 0.00 O ATOM 237 CB THR A 19 -2.791 -9.273 -7.945 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.980 -8.560 -9.155 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.874 -10.329 -7.860 1.00 0.00 C ATOM 0 H THR A 19 -1.140 -7.446 -7.719 1.00 0.00 H new ATOM 0 HA THR A 19 -3.756 -7.837 -6.664 1.00 0.00 H new ATOM 0 HB THR A 19 -1.821 -9.769 -7.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.124 -8.186 -9.451 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.825 -10.972 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.727 -10.929 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.850 -9.846 -7.818 1.00 0.00 H new ATOM 247 N ILE A 20 -3.560 -9.268 -4.660 1.00 0.00 N ATOM 248 CA ILE A 20 -3.445 -10.000 -3.405 1.00 0.00 C ATOM 249 C ILE A 20 -3.826 -11.465 -3.591 1.00 0.00 C ATOM 250 O ILE A 20 -5.007 -11.806 -3.656 1.00 0.00 O ATOM 251 CB ILE A 20 -4.335 -9.382 -2.309 1.00 0.00 C ATOM 252 CG1 ILE A 20 -4.074 -7.879 -2.199 1.00 0.00 C ATOM 253 CG2 ILE A 20 -4.088 -10.067 -0.973 1.00 0.00 C ATOM 254 CD1 ILE A 20 -5.098 -7.149 -1.355 1.00 0.00 C ATOM 0 H ILE A 20 -4.494 -8.907 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.403 -9.934 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.379 -9.533 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.084 -7.720 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.064 -7.446 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.725 -9.618 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.320 -11.129 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.042 -9.946 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.851 -6.088 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.088 -7.277 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.093 -7.556 -0.344 1.00 0.00 H new ATOM 266 N THR A 21 -2.818 -12.326 -3.680 1.00 0.00 N ATOM 267 CA THR A 21 -3.044 -13.757 -3.863 1.00 0.00 C ATOM 268 C THR A 21 -3.950 -14.315 -2.769 1.00 0.00 C ATOM 269 O THR A 21 -4.658 -15.299 -2.980 1.00 0.00 O ATOM 270 CB THR A 21 -1.710 -14.506 -3.868 1.00 0.00 C ATOM 271 OG1 THR A 21 -0.998 -14.271 -2.666 1.00 0.00 O ATOM 272 CG2 THR A 21 -0.810 -14.117 -5.020 1.00 0.00 C ATOM 0 H THR A 21 -1.835 -12.058 -3.628 1.00 0.00 H new ATOM 0 HA THR A 21 -3.540 -13.900 -4.823 1.00 0.00 H new ATOM 0 HB THR A 21 -1.970 -15.559 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.476 -13.607 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.119 -14.685 -4.964 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.312 -14.334 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.588 -13.051 -4.964 1.00 0.00 H new ATOM 280 N ASN A 22 -3.922 -13.683 -1.600 1.00 0.00 N ATOM 281 CA ASN A 22 -4.740 -14.120 -0.476 1.00 0.00 C ATOM 282 C ASN A 22 -5.977 -13.238 -0.327 1.00 0.00 C ATOM 283 O ASN A 22 -6.189 -12.615 0.714 1.00 0.00 O ATOM 284 CB ASN A 22 -3.921 -14.097 0.817 1.00 0.00 C ATOM 285 CG ASN A 22 -4.332 -15.192 1.781 1.00 0.00 C ATOM 286 OD1 ASN A 22 -4.606 -16.322 1.376 1.00 0.00 O ATOM 287 ND2 ASN A 22 -4.379 -14.861 3.066 1.00 0.00 N ATOM 0 H ASN A 22 -3.342 -12.867 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.067 -15.141 -0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.864 -14.207 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.039 -13.128 1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.650 -15.556 3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.144 -13.912 3.357 1.00 0.00 H new ATOM 294 N LEU A 23 -6.792 -13.191 -1.375 1.00 0.00 N ATOM 295 CA LEU A 23 -8.009 -12.387 -1.361 1.00 0.00 C ATOM 296 C LEU A 23 -8.967 -12.830 -2.466 1.00 0.00 C ATOM 297 O LEU A 23 -8.922 -12.312 -3.581 1.00 0.00 O ATOM 298 CB LEU A 23 -7.668 -10.905 -1.530 1.00 0.00 C ATOM 299 CG LEU A 23 -8.641 -9.935 -0.858 1.00 0.00 C ATOM 300 CD1 LEU A 23 -9.987 -9.953 -1.565 1.00 0.00 C ATOM 301 CD2 LEU A 23 -8.806 -10.282 0.615 1.00 0.00 C ATOM 0 H LEU A 23 -6.632 -13.700 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.500 -12.532 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.670 -10.730 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.629 -10.676 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.229 -8.928 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.666 -9.257 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.855 -9.657 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.406 -10.958 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.502 -9.582 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.195 -11.296 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.839 -10.217 1.115 1.00 0.00 H new ATOM 313 N PRO A 24 -9.851 -13.797 -2.166 1.00 0.00 N ATOM 314 CA PRO A 24 -10.822 -14.306 -3.140 1.00 0.00 C ATOM 315 C PRO A 24 -11.658 -13.192 -3.760 1.00 0.00 C ATOM 316 O PRO A 24 -11.796 -12.112 -3.184 1.00 0.00 O ATOM 317 CB PRO A 24 -11.708 -15.240 -2.310 1.00 0.00 C ATOM 318 CG PRO A 24 -10.859 -15.645 -1.156 1.00 0.00 C ATOM 319 CD PRO A 24 -9.974 -14.468 -0.859 1.00 0.00 C ATOM 0 HA PRO A 24 -10.333 -14.798 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.613 -14.733 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.024 -16.106 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.472 -15.900 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.266 -16.527 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.416 -13.811 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.003 -14.782 -0.475 1.00 0.00 H new ATOM 327 N TYR A 25 -12.213 -13.460 -4.938 1.00 0.00 N ATOM 328 CA TYR A 25 -13.036 -12.479 -5.636 1.00 0.00 C ATOM 329 C TYR A 25 -14.473 -12.971 -5.769 1.00 0.00 C ATOM 330 O TYR A 25 -14.861 -13.514 -6.803 1.00 0.00 O ATOM 331 CB TYR A 25 -12.453 -12.188 -7.020 1.00 0.00 C ATOM 332 CG TYR A 25 -12.861 -10.843 -7.579 1.00 0.00 C ATOM 333 CD1 TYR A 25 -14.049 -10.695 -8.285 1.00 0.00 C ATOM 334 CD2 TYR A 25 -12.058 -9.723 -7.401 1.00 0.00 C ATOM 335 CE1 TYR A 25 -14.424 -9.467 -8.798 1.00 0.00 C ATOM 336 CE2 TYR A 25 -12.428 -8.494 -7.911 1.00 0.00 C ATOM 337 CZ TYR A 25 -13.610 -8.371 -8.609 1.00 0.00 C ATOM 338 OH TYR A 25 -13.981 -7.148 -9.118 1.00 0.00 O ATOM 0 H TYR A 25 -12.108 -14.348 -5.429 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.039 -11.560 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.365 -12.234 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.770 -12.970 -7.710 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.689 -11.552 -8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.130 -9.815 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.350 -9.367 -9.344 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.793 -7.633 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.254 -6.504 -8.986 1.00 0.00 H new ATOM 348 N SER A 26 -15.259 -12.777 -4.715 1.00 0.00 N ATOM 349 CA SER A 26 -16.655 -13.201 -4.712 1.00 0.00 C ATOM 350 C SER A 26 -17.569 -12.069 -5.171 1.00 0.00 C ATOM 351 O SER A 26 -17.119 -10.944 -5.390 1.00 0.00 O ATOM 352 CB SER A 26 -17.065 -13.668 -3.315 1.00 0.00 C ATOM 353 OG SER A 26 -16.854 -12.648 -2.353 1.00 0.00 O ATOM 0 H SER A 26 -14.953 -12.329 -3.851 1.00 0.00 H new ATOM 0 HA SER A 26 -16.757 -14.032 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.116 -13.957 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.492 -14.554 -3.042 1.00 0.00 H new ATOM 0 HG SER A 26 -17.667 -12.530 -1.818 1.00 0.00 H new ATOM 359 N GLN A 27 -18.853 -12.375 -5.315 1.00 0.00 N ATOM 360 CA GLN A 27 -19.832 -11.384 -5.748 1.00 0.00 C ATOM 361 C GLN A 27 -19.890 -10.211 -4.773 1.00 0.00 C ATOM 362 O GLN A 27 -20.203 -9.086 -5.160 1.00 0.00 O ATOM 363 CB GLN A 27 -21.215 -12.025 -5.875 1.00 0.00 C ATOM 364 CG GLN A 27 -21.251 -13.213 -6.822 1.00 0.00 C ATOM 365 CD GLN A 27 -21.114 -12.804 -8.275 1.00 0.00 C ATOM 366 OE1 GLN A 27 -20.316 -11.929 -8.613 1.00 0.00 O ATOM 367 NE2 GLN A 27 -21.895 -13.435 -9.144 1.00 0.00 N ATOM 0 H GLN A 27 -19.241 -13.302 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 27 -19.522 -11.007 -6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.549 -12.347 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.924 -11.273 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -20.447 -13.902 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.189 -13.752 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -22.542 -14.154 -8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -21.848 -13.201 -10.136 1.00 0.00 H new ATOM 376 N ASP A 28 -19.587 -10.482 -3.507 1.00 0.00 N ATOM 377 CA ASP A 28 -19.606 -9.448 -2.478 1.00 0.00 C ATOM 378 C ASP A 28 -18.656 -8.309 -2.833 1.00 0.00 C ATOM 379 O ASP A 28 -19.035 -7.138 -2.799 1.00 0.00 O ATOM 380 CB ASP A 28 -19.224 -10.043 -1.121 1.00 0.00 C ATOM 381 CG ASP A 28 -20.239 -11.054 -0.627 1.00 0.00 C ATOM 382 OD1 ASP A 28 -21.389 -11.028 -1.113 1.00 0.00 O ATOM 383 OD2 ASP A 28 -19.884 -11.875 0.246 1.00 0.00 O ATOM 0 H ASP A 28 -19.326 -11.408 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.618 -9.047 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.247 -10.521 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.129 -9.241 -0.389 1.00 0.00 H new ATOM 388 N ILE A 29 -17.420 -8.660 -3.174 1.00 0.00 N ATOM 389 CA ILE A 29 -16.418 -7.665 -3.538 1.00 0.00 C ATOM 390 C ILE A 29 -16.853 -6.871 -4.764 1.00 0.00 C ATOM 391 O ILE A 29 -16.482 -5.708 -4.927 1.00 0.00 O ATOM 392 CB ILE A 29 -15.051 -8.321 -3.819 1.00 0.00 C ATOM 393 CG1 ILE A 29 -14.642 -9.227 -2.655 1.00 0.00 C ATOM 394 CG2 ILE A 29 -13.990 -7.256 -4.064 1.00 0.00 C ATOM 395 CD1 ILE A 29 -14.595 -8.513 -1.321 1.00 0.00 C ATOM 0 H ILE A 29 -17.089 -9.624 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.319 -6.989 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.140 -8.933 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.344 -10.059 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.661 -9.654 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.031 -7.736 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.275 -6.649 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.903 -6.620 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.298 -9.216 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.872 -7.699 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.581 -8.110 -1.089 1.00 0.00 H new ATOM 407 N ALA A 30 -17.642 -7.505 -5.625 1.00 0.00 N ATOM 408 CA ALA A 30 -18.129 -6.856 -6.836 1.00 0.00 C ATOM 409 C ALA A 30 -19.081 -5.711 -6.505 1.00 0.00 C ATOM 410 O ALA A 30 -19.249 -4.783 -7.297 1.00 0.00 O ATOM 411 CB ALA A 30 -18.814 -7.870 -7.738 1.00 0.00 C ATOM 0 H ALA A 30 -17.958 -8.468 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 30 -17.271 -6.437 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -19.173 -7.372 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.104 -8.650 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.657 -8.316 -7.210 1.00 0.00 H new ATOM 417 N GLN A 31 -19.705 -5.782 -5.332 1.00 0.00 N ATOM 418 CA GLN A 31 -20.642 -4.750 -4.902 1.00 0.00 C ATOM 419 C GLN A 31 -20.316 -4.273 -3.486 1.00 0.00 C ATOM 420 O GLN A 31 -20.373 -5.052 -2.536 1.00 0.00 O ATOM 421 CB GLN A 31 -22.075 -5.283 -4.953 1.00 0.00 C ATOM 422 CG GLN A 31 -22.640 -5.373 -6.362 1.00 0.00 C ATOM 423 CD GLN A 31 -23.293 -4.080 -6.810 1.00 0.00 C ATOM 424 OE1 GLN A 31 -22.621 -3.070 -7.015 1.00 0.00 O ATOM 425 NE2 GLN A 31 -24.612 -4.106 -6.965 1.00 0.00 N ATOM 0 H GLN A 31 -19.579 -6.542 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 31 -20.550 -3.903 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -22.103 -6.272 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.716 -4.636 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -21.839 -5.631 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.372 -6.180 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -25.130 -4.966 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -25.107 -3.266 -7.265 1.00 0.00 H new ATOM 434 N PRO A 32 -19.970 -2.981 -3.325 1.00 0.00 N ATOM 435 CA PRO A 32 -19.638 -2.413 -2.013 1.00 0.00 C ATOM 436 C PRO A 32 -20.753 -2.617 -0.991 1.00 0.00 C ATOM 437 O PRO A 32 -20.516 -2.574 0.216 1.00 0.00 O ATOM 438 CB PRO A 32 -19.447 -0.921 -2.302 1.00 0.00 C ATOM 439 CG PRO A 32 -19.122 -0.850 -3.754 1.00 0.00 C ATOM 440 CD PRO A 32 -19.875 -1.977 -4.400 1.00 0.00 C ATOM 0 HA PRO A 32 -18.761 -2.891 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.350 -0.355 -2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.644 -0.501 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.420 0.110 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.049 -0.951 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.860 -1.659 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.347 -2.368 -5.270 1.00 0.00 H new ATOM 448 N SER A 33 -21.970 -2.835 -1.482 1.00 0.00 N ATOM 449 CA SER A 33 -23.124 -3.042 -0.611 1.00 0.00 C ATOM 450 C SER A 33 -22.846 -4.129 0.423 1.00 0.00 C ATOM 451 O SER A 33 -23.393 -4.104 1.526 1.00 0.00 O ATOM 452 CB SER A 33 -24.354 -3.415 -1.441 1.00 0.00 C ATOM 453 OG SER A 33 -25.491 -3.596 -0.615 1.00 0.00 O ATOM 0 H SER A 33 -22.183 -2.873 -2.479 1.00 0.00 H new ATOM 0 HA SER A 33 -23.317 -2.108 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 33 -24.553 -2.633 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 33 -24.156 -4.330 -1.999 1.00 0.00 H new ATOM 0 HG SER A 33 -26.264 -3.832 -1.169 1.00 0.00 H new ATOM 459 N THR A 34 -21.994 -5.083 0.060 1.00 0.00 N ATOM 460 CA THR A 34 -21.645 -6.177 0.958 1.00 0.00 C ATOM 461 C THR A 34 -20.560 -5.752 1.942 1.00 0.00 C ATOM 462 O THR A 34 -19.905 -4.727 1.754 1.00 0.00 O ATOM 463 CB THR A 34 -21.176 -7.392 0.157 1.00 0.00 C ATOM 464 OG1 THR A 34 -19.941 -7.123 -0.483 1.00 0.00 O ATOM 465 CG2 THR A 34 -22.161 -7.823 -0.909 1.00 0.00 C ATOM 0 H THR A 34 -21.533 -5.120 -0.849 1.00 0.00 H new ATOM 0 HA THR A 34 -22.537 -6.445 1.524 1.00 0.00 H new ATOM 0 HB THR A 34 -21.077 -8.198 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.102 -6.900 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.767 -8.690 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.111 -8.084 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 34 -22.316 -7.006 -1.613 1.00 0.00 H new ATOM 473 N THR A 35 -20.376 -6.547 2.990 1.00 0.00 N ATOM 474 CA THR A 35 -19.370 -6.255 4.005 1.00 0.00 C ATOM 475 C THR A 35 -17.986 -6.713 3.552 1.00 0.00 C ATOM 476 O THR A 35 -16.972 -6.137 3.943 1.00 0.00 O ATOM 477 CB THR A 35 -19.736 -6.933 5.325 1.00 0.00 C ATOM 478 OG1 THR A 35 -21.126 -6.826 5.575 1.00 0.00 O ATOM 479 CG2 THR A 35 -19.010 -6.352 6.519 1.00 0.00 C ATOM 0 H THR A 35 -20.910 -7.399 3.159 1.00 0.00 H new ATOM 0 HA THR A 35 -19.344 -5.175 4.153 1.00 0.00 H new ATOM 0 HB THR A 35 -19.434 -7.974 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.341 -7.267 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.316 -6.879 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 35 -17.935 -6.464 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.256 -5.294 6.615 1.00 0.00 H new ATOM 487 N LYS A 36 -17.955 -7.754 2.724 1.00 0.00 N ATOM 488 CA LYS A 36 -16.695 -8.291 2.217 1.00 0.00 C ATOM 489 C LYS A 36 -15.889 -7.213 1.499 1.00 0.00 C ATOM 490 O LYS A 36 -14.660 -7.268 1.458 1.00 0.00 O ATOM 491 CB LYS A 36 -16.964 -9.460 1.267 1.00 0.00 C ATOM 492 CG LYS A 36 -15.922 -10.563 1.350 1.00 0.00 C ATOM 493 CD LYS A 36 -16.168 -11.640 0.306 1.00 0.00 C ATOM 494 CE LYS A 36 -15.427 -12.924 0.642 1.00 0.00 C ATOM 495 NZ LYS A 36 -15.286 -13.811 -0.545 1.00 0.00 N ATOM 0 H LYS A 36 -18.786 -8.242 2.390 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.112 -8.645 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.945 -9.880 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.003 -9.085 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.928 -10.138 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.940 -11.008 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.237 -11.843 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.848 -11.280 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.439 -12.681 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.960 -13.455 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.809 -14.695 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.670 -13.332 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.280 -14.027 -0.700 1.00 0.00 H new ATOM 509 N TYR A 37 -16.588 -6.232 0.936 1.00 0.00 N ATOM 510 CA TYR A 37 -15.935 -5.143 0.219 1.00 0.00 C ATOM 511 C TYR A 37 -15.496 -4.043 1.181 1.00 0.00 C ATOM 512 O TYR A 37 -14.371 -3.551 1.105 1.00 0.00 O ATOM 513 CB TYR A 37 -16.877 -4.565 -0.838 1.00 0.00 C ATOM 514 CG TYR A 37 -16.262 -3.452 -1.656 1.00 0.00 C ATOM 515 CD1 TYR A 37 -16.360 -2.128 -1.249 1.00 0.00 C ATOM 516 CD2 TYR A 37 -15.583 -3.726 -2.836 1.00 0.00 C ATOM 517 CE1 TYR A 37 -15.800 -1.107 -1.994 1.00 0.00 C ATOM 518 CE2 TYR A 37 -15.019 -2.712 -3.588 1.00 0.00 C ATOM 519 CZ TYR A 37 -15.130 -1.405 -3.162 1.00 0.00 C ATOM 520 OH TYR A 37 -14.570 -0.393 -3.908 1.00 0.00 O ATOM 0 H TYR A 37 -17.606 -6.169 0.963 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.049 -5.545 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.192 -5.365 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.774 -4.189 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.883 -1.892 -0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.494 -4.749 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.887 -0.082 -1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.495 -2.942 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.134 -0.773 -4.699 1.00 0.00 H new ATOM 530 N GLN A 38 -16.394 -3.662 2.084 1.00 0.00 N ATOM 531 CA GLN A 38 -16.100 -2.619 3.061 1.00 0.00 C ATOM 532 C GLN A 38 -15.013 -3.069 4.031 1.00 0.00 C ATOM 533 O GLN A 38 -14.238 -2.254 4.533 1.00 0.00 O ATOM 534 CB GLN A 38 -17.366 -2.244 3.833 1.00 0.00 C ATOM 535 CG GLN A 38 -18.319 -1.360 3.047 1.00 0.00 C ATOM 536 CD GLN A 38 -19.737 -1.411 3.580 1.00 0.00 C ATOM 537 OE1 GLN A 38 -20.052 -0.803 4.603 1.00 0.00 O ATOM 538 NE2 GLN A 38 -20.603 -2.143 2.887 1.00 0.00 N ATOM 0 H GLN A 38 -17.330 -4.059 2.160 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.738 -1.744 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.887 -3.156 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -17.082 -1.731 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -17.961 -0.331 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.317 -1.669 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -20.299 -2.631 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.572 -2.217 3.198 1.00 0.00 H new ATOM 547 N GLN A 39 -14.962 -4.370 4.294 1.00 0.00 N ATOM 548 CA GLN A 39 -13.971 -4.929 5.207 1.00 0.00 C ATOM 549 C GLN A 39 -12.581 -4.918 4.578 1.00 0.00 C ATOM 550 O GLN A 39 -11.636 -4.371 5.146 1.00 0.00 O ATOM 551 CB GLN A 39 -14.357 -6.356 5.601 1.00 0.00 C ATOM 552 CG GLN A 39 -15.078 -6.444 6.936 1.00 0.00 C ATOM 553 CD GLN A 39 -14.229 -7.089 8.016 1.00 0.00 C ATOM 554 OE1 GLN A 39 -13.351 -6.451 8.596 1.00 0.00 O ATOM 555 NE2 GLN A 39 -14.488 -8.363 8.290 1.00 0.00 N ATOM 0 H GLN A 39 -15.596 -5.058 3.888 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.947 -4.307 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.995 -6.779 4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.457 -6.969 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.367 -5.443 7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.997 -7.016 6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.225 -8.854 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.949 -8.850 9.006 1.00 0.00 H new ATOM 564 N THR A 40 -12.463 -5.530 3.403 1.00 0.00 N ATOM 565 CA THR A 40 -11.188 -5.595 2.698 1.00 0.00 C ATOM 566 C THR A 40 -10.654 -4.197 2.403 1.00 0.00 C ATOM 567 O THR A 40 -9.451 -3.949 2.490 1.00 0.00 O ATOM 568 CB THR A 40 -11.343 -6.380 1.395 1.00 0.00 C ATOM 569 OG1 THR A 40 -11.960 -7.632 1.634 1.00 0.00 O ATOM 570 CG2 THR A 40 -10.028 -6.641 0.694 1.00 0.00 C ATOM 0 H THR A 40 -13.236 -5.988 2.919 1.00 0.00 H new ATOM 0 HA THR A 40 -10.472 -6.107 3.341 1.00 0.00 H new ATOM 0 HB THR A 40 -11.960 -5.753 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.933 -7.536 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.209 -7.202 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.551 -5.692 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.375 -7.218 1.349 1.00 0.00 H new ATOM 578 N LYS A 41 -11.555 -3.285 2.051 1.00 0.00 N ATOM 579 CA LYS A 41 -11.172 -1.911 1.741 1.00 0.00 C ATOM 580 C LYS A 41 -10.493 -1.250 2.936 1.00 0.00 C ATOM 581 O LYS A 41 -9.407 -0.683 2.810 1.00 0.00 O ATOM 582 CB LYS A 41 -12.401 -1.100 1.325 1.00 0.00 C ATOM 583 CG LYS A 41 -12.072 0.090 0.438 1.00 0.00 C ATOM 584 CD LYS A 41 -13.333 0.785 -0.048 1.00 0.00 C ATOM 585 CE LYS A 41 -13.014 1.885 -1.048 1.00 0.00 C ATOM 586 NZ LYS A 41 -12.450 3.094 -0.385 1.00 0.00 N ATOM 0 H LYS A 41 -12.555 -3.472 1.973 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.463 -1.936 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.096 -1.754 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.912 -0.745 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.455 0.798 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.486 -0.244 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.997 0.054 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.867 1.209 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.303 1.511 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.920 2.157 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.045 3.727 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.205 3.592 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.706 2.808 0.283 1.00 0.00 H new ATOM 600 N ARG A 42 -11.139 -1.324 4.095 1.00 0.00 N ATOM 601 CA ARG A 42 -10.598 -0.729 5.312 1.00 0.00 C ATOM 602 C ARG A 42 -9.339 -1.461 5.767 1.00 0.00 C ATOM 603 O ARG A 42 -8.385 -0.841 6.238 1.00 0.00 O ATOM 604 CB ARG A 42 -11.647 -0.757 6.426 1.00 0.00 C ATOM 605 CG ARG A 42 -11.651 0.496 7.288 1.00 0.00 C ATOM 606 CD ARG A 42 -13.060 1.032 7.489 1.00 0.00 C ATOM 607 NE ARG A 42 -13.081 2.488 7.599 1.00 0.00 N ATOM 608 CZ ARG A 42 -14.172 3.230 7.417 1.00 0.00 C ATOM 609 NH1 ARG A 42 -15.331 2.658 7.116 1.00 0.00 N ATOM 610 NH2 ARG A 42 -14.103 4.549 7.534 1.00 0.00 N ATOM 0 H ARG A 42 -12.038 -1.790 4.217 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.334 0.306 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.634 -0.886 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.468 -1.625 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.204 0.273 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.033 1.262 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.688 0.722 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.489 0.594 8.390 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.209 2.965 7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.390 1.644 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.163 3.232 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.215 4.995 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.938 5.118 7.395 1.00 0.00 H new ATOM 624 N SER A 43 -9.343 -2.781 5.624 1.00 0.00 N ATOM 625 CA SER A 43 -8.201 -3.598 6.022 1.00 0.00 C ATOM 626 C SER A 43 -6.943 -3.191 5.260 1.00 0.00 C ATOM 627 O SER A 43 -5.882 -2.996 5.855 1.00 0.00 O ATOM 628 CB SER A 43 -8.499 -5.078 5.781 1.00 0.00 C ATOM 629 OG SER A 43 -7.512 -5.902 6.379 1.00 0.00 O ATOM 0 H SER A 43 -10.124 -3.309 5.235 1.00 0.00 H new ATOM 0 HA SER A 43 -8.026 -3.436 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.479 -5.326 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.540 -5.274 4.710 1.00 0.00 H new ATOM 0 HG SER A 43 -7.262 -6.617 5.757 1.00 0.00 H new ATOM 635 N ILE A 44 -7.067 -3.068 3.943 1.00 0.00 N ATOM 636 CA ILE A 44 -5.939 -2.688 3.101 1.00 0.00 C ATOM 637 C ILE A 44 -5.556 -1.226 3.314 1.00 0.00 C ATOM 638 O ILE A 44 -4.393 -0.909 3.561 1.00 0.00 O ATOM 639 CB ILE A 44 -6.250 -2.913 1.609 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.765 -4.336 1.381 1.00 0.00 C ATOM 641 CG2 ILE A 44 -5.014 -2.652 0.761 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.653 -4.469 0.164 1.00 0.00 C ATOM 0 H ILE A 44 -7.938 -3.226 3.436 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.103 -3.324 3.391 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.027 -2.211 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.914 -5.009 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.319 -4.659 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.253 -2.816 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.687 -1.622 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.216 -3.331 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.981 -5.504 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.523 -3.822 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.096 -4.178 -0.726 1.00 0.00 H new ATOM 654 N GLU A 45 -6.541 -0.339 3.216 1.00 0.00 N ATOM 655 CA GLU A 45 -6.306 1.089 3.396 1.00 0.00 C ATOM 656 C GLU A 45 -5.688 1.376 4.761 1.00 0.00 C ATOM 657 O GLU A 45 -4.899 2.310 4.911 1.00 0.00 O ATOM 658 CB GLU A 45 -7.615 1.866 3.242 1.00 0.00 C ATOM 659 CG GLU A 45 -7.450 3.201 2.534 1.00 0.00 C ATOM 660 CD GLU A 45 -7.066 4.321 3.481 1.00 0.00 C ATOM 661 OE1 GLU A 45 -7.841 4.594 4.422 1.00 0.00 O ATOM 662 OE2 GLU A 45 -5.990 4.922 3.283 1.00 0.00 O ATOM 0 H GLU A 45 -7.510 -0.584 3.013 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.605 1.414 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.327 1.255 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.044 2.038 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.687 3.106 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.382 3.459 2.031 1.00 0.00 H new ATOM 669 N ASN A 46 -6.052 0.571 5.752 1.00 0.00 N ATOM 670 CA ASN A 46 -5.532 0.742 7.105 1.00 0.00 C ATOM 671 C ASN A 46 -4.099 0.227 7.208 1.00 0.00 C ATOM 672 O ASN A 46 -3.264 0.823 7.888 1.00 0.00 O ATOM 673 CB ASN A 46 -6.422 0.011 8.111 1.00 0.00 C ATOM 674 CG ASN A 46 -5.989 0.246 9.545 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.824 1.388 9.975 1.00 0.00 O ATOM 676 ND2 ASN A 46 -5.802 -0.835 10.293 1.00 0.00 N ATOM 0 H ASN A 46 -6.704 -0.206 5.645 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.533 1.807 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.453 0.342 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.403 -1.058 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.510 -0.738 11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.950 -1.762 9.895 1.00 0.00 H new ATOM 683 N ALA A 47 -3.823 -0.881 6.530 1.00 0.00 N ATOM 684 CA ALA A 47 -2.492 -1.475 6.548 1.00 0.00 C ATOM 685 C ALA A 47 -1.472 -0.560 5.879 1.00 0.00 C ATOM 686 O ALA A 47 -0.320 -0.481 6.306 1.00 0.00 O ATOM 687 CB ALA A 47 -2.512 -2.833 5.863 1.00 0.00 C ATOM 0 H ALA A 47 -4.503 -1.386 5.961 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.195 -1.607 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.512 -3.266 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.204 -3.494 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.835 -2.714 4.829 1.00 0.00 H new ATOM 693 N LEU A 48 -1.903 0.129 4.827 1.00 0.00 N ATOM 694 CA LEU A 48 -1.026 1.039 4.099 1.00 0.00 C ATOM 695 C LEU A 48 -0.752 2.300 4.911 1.00 0.00 C ATOM 696 O LEU A 48 0.318 2.900 4.802 1.00 0.00 O ATOM 697 CB LEU A 48 -1.650 1.410 2.751 1.00 0.00 C ATOM 698 CG LEU A 48 -1.951 0.227 1.830 1.00 0.00 C ATOM 699 CD1 LEU A 48 -2.771 0.679 0.632 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.659 -0.435 1.376 1.00 0.00 C ATOM 0 H LEU A 48 -2.853 0.075 4.460 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.078 0.530 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.577 1.953 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.977 2.093 2.232 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.535 -0.505 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.976 -0.176 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.712 1.108 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.214 1.430 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.891 -1.275 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.050 0.289 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.109 -0.794 2.246 1.00 0.00 H new ATOM 712 N ASN A 49 -1.725 2.698 5.725 1.00 0.00 N ATOM 713 CA ASN A 49 -1.587 3.889 6.556 1.00 0.00 C ATOM 714 C ASN A 49 -0.391 3.763 7.494 1.00 0.00 C ATOM 715 O ASN A 49 0.552 4.551 7.424 1.00 0.00 O ATOM 716 CB ASN A 49 -2.864 4.118 7.367 1.00 0.00 C ATOM 717 CG ASN A 49 -2.990 5.547 7.858 1.00 0.00 C ATOM 718 OD1 ASN A 49 -2.195 6.006 8.676 1.00 0.00 O ATOM 719 ND2 ASN A 49 -3.995 6.258 7.358 1.00 0.00 N ATOM 0 H ASN A 49 -2.617 2.214 5.827 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.422 4.744 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.730 3.870 6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.875 3.441 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.131 7.226 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.631 5.836 6.681 1.00 0.00 H new ATOM 726 N GLN A 50 -0.439 2.768 8.373 1.00 0.00 N ATOM 727 CA GLN A 50 0.639 2.537 9.328 1.00 0.00 C ATOM 728 C GLN A 50 1.966 2.300 8.610 1.00 0.00 C ATOM 729 O GLN A 50 3.032 2.620 9.135 1.00 0.00 O ATOM 730 CB GLN A 50 0.309 1.339 10.220 1.00 0.00 C ATOM 731 CG GLN A 50 0.015 0.066 9.443 1.00 0.00 C ATOM 732 CD GLN A 50 -1.050 -0.788 10.104 1.00 0.00 C ATOM 733 OE1 GLN A 50 -2.203 -0.803 9.674 1.00 0.00 O ATOM 734 NE2 GLN A 50 -0.666 -1.504 11.154 1.00 0.00 N ATOM 0 H GLN A 50 -1.213 2.108 8.444 1.00 0.00 H new ATOM 0 HA GLN A 50 0.737 3.429 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.145 1.158 10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.554 1.584 10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.307 0.326 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.932 -0.515 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.301 -1.460 11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.338 -2.098 11.640 1.00 0.00 H new ATOM 743 N LEU A 51 1.891 1.734 7.409 1.00 0.00 N ATOM 744 CA LEU A 51 3.085 1.453 6.622 1.00 0.00 C ATOM 745 C LEU A 51 3.785 2.744 6.208 1.00 0.00 C ATOM 746 O LEU A 51 5.007 2.780 6.061 1.00 0.00 O ATOM 747 CB LEU A 51 2.722 0.635 5.380 1.00 0.00 C ATOM 748 CG LEU A 51 3.902 -0.045 4.684 1.00 0.00 C ATOM 749 CD1 LEU A 51 3.454 -1.331 4.007 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.539 0.898 3.675 1.00 0.00 C ATOM 0 H LEU A 51 1.016 1.462 6.961 1.00 0.00 H new ATOM 0 HA LEU A 51 3.769 0.875 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.999 -0.129 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.227 1.291 4.664 1.00 0.00 H new ATOM 0 HG LEU A 51 4.648 -0.297 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.307 -1.801 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.044 -2.011 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.689 -1.104 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.377 0.399 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.801 1.181 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.897 1.791 4.187 1.00 0.00 H new ATOM 762 N PHE A 52 3.004 3.803 6.021 1.00 0.00 N ATOM 763 CA PHE A 52 3.551 5.095 5.623 1.00 0.00 C ATOM 764 C PHE A 52 4.295 5.751 6.781 1.00 0.00 C ATOM 765 O PHE A 52 5.345 6.364 6.589 1.00 0.00 O ATOM 766 CB PHE A 52 2.432 6.017 5.134 1.00 0.00 C ATOM 767 CG PHE A 52 1.605 5.425 4.028 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.208 4.757 2.974 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.224 5.536 4.044 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.449 4.212 1.956 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.541 4.993 3.029 1.00 0.00 C ATOM 772 CZ PHE A 52 0.073 4.330 1.984 1.00 0.00 C ATOM 0 H PHE A 52 1.991 3.792 6.139 1.00 0.00 H new ATOM 0 HA PHE A 52 4.257 4.927 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.780 6.260 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.869 6.954 4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.283 4.661 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.260 6.053 4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.931 3.695 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.617 5.087 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.522 3.904 1.190 1.00 0.00 H new ATOM 782 N ARG A 53 3.744 5.618 7.983 1.00 0.00 N ATOM 783 CA ARG A 53 4.355 6.199 9.173 1.00 0.00 C ATOM 784 C ARG A 53 5.599 5.419 9.593 1.00 0.00 C ATOM 785 O ARG A 53 6.439 5.928 10.336 1.00 0.00 O ATOM 786 CB ARG A 53 3.347 6.230 10.323 1.00 0.00 C ATOM 787 CG ARG A 53 2.172 7.163 10.076 1.00 0.00 C ATOM 788 CD ARG A 53 0.964 6.773 10.914 1.00 0.00 C ATOM 789 NE ARG A 53 0.562 7.842 11.823 1.00 0.00 N ATOM 790 CZ ARG A 53 -0.251 7.664 12.862 1.00 0.00 C ATOM 791 NH1 ARG A 53 -0.752 6.464 13.125 1.00 0.00 N ATOM 792 NH2 ARG A 53 -0.565 8.691 13.640 1.00 0.00 N ATOM 0 H ARG A 53 2.875 5.113 8.159 1.00 0.00 H new ATOM 0 HA ARG A 53 4.657 7.218 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.970 5.221 10.492 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.858 6.537 11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.464 8.187 10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.905 7.142 9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.131 6.524 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.195 5.876 11.489 1.00 0.00 H new ATOM 0 HE ARG A 53 0.925 8.780 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.515 5.671 12.529 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.374 6.335 13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.184 9.616 13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.188 8.556 14.436 1.00 0.00 H new ATOM 806 N ASN A 54 5.715 4.182 9.119 1.00 0.00 N ATOM 807 CA ASN A 54 6.859 3.341 9.453 1.00 0.00 C ATOM 808 C ASN A 54 7.796 3.192 8.260 1.00 0.00 C ATOM 809 O ASN A 54 8.405 2.140 8.065 1.00 0.00 O ATOM 810 CB ASN A 54 6.385 1.962 9.919 1.00 0.00 C ATOM 811 CG ASN A 54 5.698 2.013 11.269 1.00 0.00 C ATOM 812 OD1 ASN A 54 6.254 2.522 12.243 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.482 1.483 11.335 1.00 0.00 N ATOM 0 H ASN A 54 5.032 3.741 8.503 1.00 0.00 H new ATOM 0 HA ASN A 54 7.407 3.824 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.699 1.548 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.239 1.287 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.971 1.487 12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.059 1.072 10.503 1.00 0.00 H new ATOM 820 N SER A 55 7.909 4.252 7.466 1.00 0.00 N ATOM 821 CA SER A 55 8.776 4.237 6.292 1.00 0.00 C ATOM 822 C SER A 55 9.689 5.459 6.275 1.00 0.00 C ATOM 823 O SER A 55 9.508 6.394 7.055 1.00 0.00 O ATOM 824 CB SER A 55 7.937 4.194 5.013 1.00 0.00 C ATOM 825 OG SER A 55 6.649 4.744 5.228 1.00 0.00 O ATOM 0 H SER A 55 7.412 5.131 7.613 1.00 0.00 H new ATOM 0 HA SER A 55 9.397 3.343 6.341 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.445 4.747 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.843 3.163 4.671 1.00 0.00 H new ATOM 0 HG SER A 55 6.725 5.549 5.782 1.00 0.00 H new ATOM 831 N SER A 56 10.672 5.443 5.380 1.00 0.00 N ATOM 832 CA SER A 56 11.615 6.549 5.260 1.00 0.00 C ATOM 833 C SER A 56 10.918 7.811 4.761 1.00 0.00 C ATOM 834 O SER A 56 11.322 8.926 5.089 1.00 0.00 O ATOM 835 CB SER A 56 12.754 6.173 4.311 1.00 0.00 C ATOM 836 OG SER A 56 13.000 4.778 4.337 1.00 0.00 O ATOM 0 H SER A 56 10.836 4.676 4.727 1.00 0.00 H new ATOM 0 HA SER A 56 12.025 6.751 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.503 6.482 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.659 6.710 4.593 1.00 0.00 H new ATOM 0 HG SER A 56 12.470 4.339 3.639 1.00 0.00 H new ATOM 842 N ILE A 57 9.868 7.627 3.967 1.00 0.00 N ATOM 843 CA ILE A 57 9.114 8.751 3.424 1.00 0.00 C ATOM 844 C ILE A 57 7.856 9.011 4.247 1.00 0.00 C ATOM 845 O ILE A 57 6.759 9.145 3.704 1.00 0.00 O ATOM 846 CB ILE A 57 8.716 8.505 1.956 1.00 0.00 C ATOM 847 CG1 ILE A 57 7.932 7.198 1.831 1.00 0.00 C ATOM 848 CG2 ILE A 57 9.952 8.477 1.069 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.307 6.996 0.467 1.00 0.00 C ATOM 0 H ILE A 57 9.520 6.710 3.685 1.00 0.00 H new ATOM 0 HA ILE A 57 9.764 9.624 3.471 1.00 0.00 H new ATOM 0 HB ILE A 57 8.076 9.323 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.599 6.362 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.147 7.181 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.654 8.302 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.473 9.432 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.616 7.677 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.767 6.049 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.615 7.812 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.088 6.981 -0.293 1.00 0.00 H new ATOM 861 N LYS A 58 8.025 9.082 5.563 1.00 0.00 N ATOM 862 CA LYS A 58 6.906 9.327 6.467 1.00 0.00 C ATOM 863 C LYS A 58 6.762 10.815 6.771 1.00 0.00 C ATOM 864 O LYS A 58 6.455 11.201 7.899 1.00 0.00 O ATOM 865 CB LYS A 58 7.098 8.545 7.768 1.00 0.00 C ATOM 866 CG LYS A 58 8.363 8.924 8.522 1.00 0.00 C ATOM 867 CD LYS A 58 8.287 8.513 9.985 1.00 0.00 C ATOM 868 CE LYS A 58 8.230 9.724 10.903 1.00 0.00 C ATOM 869 NZ LYS A 58 9.485 10.522 10.849 1.00 0.00 N ATOM 0 H LYS A 58 8.926 8.973 6.028 1.00 0.00 H new ATOM 0 HA LYS A 58 5.994 8.988 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.236 8.712 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.125 7.479 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.223 8.446 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.519 10.001 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.405 7.893 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.155 7.904 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.387 10.354 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.053 9.395 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.581 11.078 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.299 9.882 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.453 11.164 10.031 1.00 0.00 H new ATOM 883 N SER A 59 6.984 11.646 5.759 1.00 0.00 N ATOM 884 CA SER A 59 6.877 13.091 5.917 1.00 0.00 C ATOM 885 C SER A 59 6.125 13.711 4.744 1.00 0.00 C ATOM 886 O SER A 59 5.225 14.529 4.932 1.00 0.00 O ATOM 887 CB SER A 59 8.268 13.718 6.035 1.00 0.00 C ATOM 888 OG SER A 59 8.203 15.130 5.930 1.00 0.00 O ATOM 0 H SER A 59 7.240 11.343 4.819 1.00 0.00 H new ATOM 0 HA SER A 59 6.318 13.291 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.715 13.442 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.916 13.322 5.253 1.00 0.00 H new ATOM 0 HG SER A 59 9.105 15.506 6.010 1.00 0.00 H new ATOM 894 N TYR A 60 6.499 13.314 3.532 1.00 0.00 N ATOM 895 CA TYR A 60 5.860 13.827 2.327 1.00 0.00 C ATOM 896 C TYR A 60 4.606 13.024 1.994 1.00 0.00 C ATOM 897 O TYR A 60 3.647 13.555 1.433 1.00 0.00 O ATOM 898 CB TYR A 60 6.835 13.784 1.150 1.00 0.00 C ATOM 899 CG TYR A 60 8.077 14.620 1.358 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.984 15.963 1.702 1.00 0.00 C ATOM 901 CD2 TYR A 60 9.343 14.067 1.211 1.00 0.00 C ATOM 902 CE1 TYR A 60 9.117 16.731 1.894 1.00 0.00 C ATOM 903 CE2 TYR A 60 10.481 14.828 1.402 1.00 0.00 C ATOM 904 CZ TYR A 60 10.363 16.159 1.742 1.00 0.00 C ATOM 905 OH TYR A 60 11.493 16.920 1.932 1.00 0.00 O ATOM 0 H TYR A 60 7.243 12.638 3.359 1.00 0.00 H new ATOM 0 HA TYR A 60 5.570 14.861 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.130 12.750 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.322 14.129 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.010 16.414 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.440 13.025 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.027 17.773 2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.458 14.382 1.285 1.00 0.00 H new ATOM 0 HH TYR A 60 12.288 16.366 1.788 1.00 0.00 H new ATOM 915 N PHE A 61 4.621 11.741 2.344 1.00 0.00 N ATOM 916 CA PHE A 61 3.485 10.864 2.082 1.00 0.00 C ATOM 917 C PHE A 61 2.261 11.309 2.875 1.00 0.00 C ATOM 918 O PHE A 61 2.309 11.418 4.101 1.00 0.00 O ATOM 919 CB PHE A 61 3.839 9.419 2.437 1.00 0.00 C ATOM 920 CG PHE A 61 3.113 8.400 1.605 1.00 0.00 C ATOM 921 CD1 PHE A 61 1.728 8.394 1.546 1.00 0.00 C ATOM 922 CD2 PHE A 61 3.816 7.449 0.883 1.00 0.00 C ATOM 923 CE1 PHE A 61 1.059 7.457 0.782 1.00 0.00 C ATOM 924 CE2 PHE A 61 3.151 6.510 0.117 1.00 0.00 C ATOM 925 CZ PHE A 61 1.771 6.515 0.067 1.00 0.00 C ATOM 0 H PHE A 61 5.407 11.286 2.809 1.00 0.00 H new ATOM 0 HA PHE A 61 3.249 10.923 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.913 9.277 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.611 9.246 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.166 9.129 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.895 7.441 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.020 7.462 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.710 5.774 -0.441 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.249 5.783 -0.531 1.00 0.00 H new ATOM 935 N SER A 62 1.165 11.566 2.169 1.00 0.00 N ATOM 936 CA SER A 62 -0.072 12.000 2.809 1.00 0.00 C ATOM 937 C SER A 62 -0.926 10.802 3.210 1.00 0.00 C ATOM 938 O SER A 62 -1.182 10.578 4.393 1.00 0.00 O ATOM 939 CB SER A 62 -0.863 12.914 1.871 1.00 0.00 C ATOM 940 OG SER A 62 -1.742 13.754 2.599 1.00 0.00 O ATOM 0 H SER A 62 1.108 11.481 1.154 1.00 0.00 H new ATOM 0 HA SER A 62 0.190 12.555 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.174 13.523 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.433 12.310 1.165 1.00 0.00 H new ATOM 0 HG SER A 62 -1.302 14.611 2.778 1.00 0.00 H new ATOM 946 N ASP A 63 -1.363 10.035 2.217 1.00 0.00 N ATOM 947 CA ASP A 63 -2.189 8.859 2.467 1.00 0.00 C ATOM 948 C ASP A 63 -2.438 8.084 1.177 1.00 0.00 C ATOM 949 O ASP A 63 -1.929 8.445 0.115 1.00 0.00 O ATOM 950 CB ASP A 63 -3.521 9.271 3.099 1.00 0.00 C ATOM 951 CG ASP A 63 -3.804 8.523 4.387 1.00 0.00 C ATOM 952 OD1 ASP A 63 -3.854 7.276 4.353 1.00 0.00 O ATOM 953 OD2 ASP A 63 -3.977 9.187 5.432 1.00 0.00 O ATOM 0 H ASP A 63 -1.159 10.206 1.232 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.654 8.209 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.509 10.342 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.329 9.088 2.390 1.00 0.00 H new ATOM 958 N CYS A 64 -3.224 7.017 1.276 1.00 0.00 N ATOM 959 CA CYS A 64 -3.542 6.191 0.117 1.00 0.00 C ATOM 960 C CYS A 64 -5.028 6.273 -0.219 1.00 0.00 C ATOM 961 O CYS A 64 -5.852 6.584 0.641 1.00 0.00 O ATOM 962 CB CYS A 64 -3.142 4.737 0.378 1.00 0.00 C ATOM 963 SG CYS A 64 -2.172 3.989 -0.951 1.00 0.00 S ATOM 0 H CYS A 64 -3.653 6.704 2.147 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.976 6.568 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.568 4.690 1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.044 4.145 0.532 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.933 4.368 -0.850 1.00 0.00 H new ATOM 969 N GLN A 65 -5.362 5.993 -1.474 1.00 0.00 N ATOM 970 CA GLN A 65 -6.748 6.035 -1.924 1.00 0.00 C ATOM 971 C GLN A 65 -7.079 4.822 -2.786 1.00 0.00 C ATOM 972 O GLN A 65 -6.866 4.832 -3.998 1.00 0.00 O ATOM 973 CB GLN A 65 -7.013 7.321 -2.711 1.00 0.00 C ATOM 974 CG GLN A 65 -8.449 7.457 -3.189 1.00 0.00 C ATOM 975 CD GLN A 65 -9.008 8.850 -2.971 1.00 0.00 C ATOM 976 OE1 GLN A 65 -8.589 9.563 -2.060 1.00 0.00 O ATOM 977 NE2 GLN A 65 -9.957 9.244 -3.811 1.00 0.00 N ATOM 0 H GLN A 65 -4.691 5.734 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.389 6.017 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.765 8.178 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.347 7.353 -3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.499 7.211 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.073 6.733 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.274 8.619 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.370 10.172 -3.715 1.00 0.00 H new ATOM 986 N VAL A 66 -7.602 3.777 -2.153 1.00 0.00 N ATOM 987 CA VAL A 66 -7.963 2.556 -2.863 1.00 0.00 C ATOM 988 C VAL A 66 -9.109 2.809 -3.839 1.00 0.00 C ATOM 989 O VAL A 66 -10.266 2.924 -3.439 1.00 0.00 O ATOM 990 CB VAL A 66 -8.366 1.434 -1.883 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.552 1.862 -1.031 1.00 0.00 C ATOM 992 CG2 VAL A 66 -8.674 0.148 -2.637 1.00 0.00 C ATOM 0 H VAL A 66 -7.785 3.751 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.082 2.237 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.525 1.243 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.819 1.056 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.287 2.750 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.401 2.087 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.956 -0.631 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.496 0.321 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.791 -0.169 -3.192 1.00 0.00 H new ATOM 1002 N LEU A 67 -8.776 2.896 -5.123 1.00 0.00 N ATOM 1003 CA LEU A 67 -9.775 3.136 -6.157 1.00 0.00 C ATOM 1004 C LEU A 67 -10.814 2.021 -6.179 1.00 0.00 C ATOM 1005 O LEU A 67 -11.986 2.245 -5.871 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.105 3.251 -7.529 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.894 4.183 -7.583 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.361 4.283 -9.004 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.259 5.561 -7.051 1.00 0.00 C ATOM 0 H LEU A 67 -7.822 2.804 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.279 4.075 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.793 2.257 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.845 3.600 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.110 3.767 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.499 4.950 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.062 3.294 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.139 4.676 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.386 6.212 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.059 5.985 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.594 5.475 -6.017 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.379 0.819 -6.543 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.273 -0.331 -6.603 1.00 0.00 C ATOM 1023 C ALA A 68 -10.486 -1.636 -6.631 1.00 0.00 C ATOM 1024 O ALA A 68 -9.263 -1.639 -6.497 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.178 -0.231 -7.821 1.00 0.00 C ATOM 0 H ALA A 68 -9.413 0.616 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.890 -0.329 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.841 -1.096 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.773 0.680 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.570 -0.205 -8.725 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.198 -2.746 -6.805 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.567 -4.060 -6.850 1.00 0.00 C ATOM 1033 C PHE A 69 -10.673 -4.668 -8.245 1.00 0.00 C ATOM 1034 O PHE A 69 -11.769 -4.939 -8.734 1.00 0.00 O ATOM 1035 CB PHE A 69 -11.214 -4.992 -5.824 1.00 0.00 C ATOM 1036 CG PHE A 69 -10.981 -4.570 -4.402 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -9.699 -4.536 -3.876 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -12.044 -4.209 -3.589 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -9.481 -4.149 -2.567 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.832 -3.821 -2.279 1.00 0.00 C ATOM 1041 CZ PHE A 69 -10.549 -3.791 -1.768 1.00 0.00 C ATOM 0 H PHE A 69 -12.212 -2.761 -6.917 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.511 -3.938 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.287 -5.036 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.824 -6.000 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.860 -4.815 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.049 -4.231 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.477 -4.127 -2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.669 -3.542 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.381 -3.488 -0.745 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.525 -4.879 -8.880 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.488 -5.455 -10.219 1.00 0.00 C ATOM 1053 C ARG A 70 -9.706 -6.964 -10.168 1.00 0.00 C ATOM 1054 O ARG A 70 -9.263 -7.634 -9.236 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.149 -5.146 -10.893 1.00 0.00 C ATOM 1056 CG ARG A 70 -8.241 -5.034 -12.406 1.00 0.00 C ATOM 1057 CD ARG A 70 -8.810 -3.690 -12.833 1.00 0.00 C ATOM 1058 NE ARG A 70 -9.716 -3.815 -13.973 1.00 0.00 N ATOM 1059 CZ ARG A 70 -10.467 -2.820 -14.436 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -10.426 -1.624 -13.860 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -11.263 -3.019 -15.477 1.00 0.00 N ATOM 0 H ARG A 70 -8.609 -4.660 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.293 -5.008 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.756 -4.212 -10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.434 -5.928 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.251 -5.166 -12.842 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.870 -5.836 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.342 -3.239 -11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.993 -3.016 -13.092 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.776 -4.719 -14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.816 -1.465 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.004 -0.865 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.300 -3.936 -15.923 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.839 -2.256 -15.832 1.00 0.00 H new ATOM 1075 N SER A 71 -10.394 -7.491 -11.176 1.00 0.00 N ATOM 1076 CA SER A 71 -10.672 -8.921 -11.245 1.00 0.00 C ATOM 1077 C SER A 71 -9.853 -9.584 -12.349 1.00 0.00 C ATOM 1078 O SER A 71 -9.731 -9.047 -13.450 1.00 0.00 O ATOM 1079 CB SER A 71 -12.163 -9.162 -11.486 1.00 0.00 C ATOM 1080 OG SER A 71 -12.623 -10.289 -10.761 1.00 0.00 O ATOM 0 H SER A 71 -10.769 -6.950 -11.955 1.00 0.00 H new ATOM 0 HA SER A 71 -10.389 -9.366 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.729 -8.279 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.342 -9.313 -12.550 1.00 0.00 H new ATOM 0 HG SER A 71 -12.839 -10.022 -9.843 1.00 0.00 H new ATOM 1154 N ASN A 77 -9.598 -16.255 -7.494 1.00 0.00 N ATOM 1155 CA ASN A 77 -9.235 -16.234 -6.081 1.00 0.00 C ATOM 1156 C ASN A 77 -8.235 -15.117 -5.784 1.00 0.00 C ATOM 1157 O ASN A 77 -7.556 -15.139 -4.758 1.00 0.00 O ATOM 1158 CB ASN A 77 -8.644 -17.583 -5.667 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.577 -17.746 -4.161 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -7.501 -17.698 -3.566 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.733 -17.942 -3.536 1.00 0.00 N ATOM 0 HA ASN A 77 -10.141 -16.045 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.247 -18.386 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.642 -17.682 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.752 -18.060 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.602 -17.975 -4.069 1.00 0.00 H new ATOM 1168 N HIS A 78 -8.151 -14.139 -6.684 1.00 0.00 N ATOM 1169 CA HIS A 78 -7.235 -13.018 -6.509 1.00 0.00 C ATOM 1170 C HIS A 78 -7.991 -11.693 -6.523 1.00 0.00 C ATOM 1171 O HIS A 78 -9.217 -11.668 -6.633 1.00 0.00 O ATOM 1172 CB HIS A 78 -6.171 -13.022 -7.609 1.00 0.00 C ATOM 1173 CG HIS A 78 -5.210 -14.167 -7.508 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -4.974 -15.039 -6.500 1.00 0.00 N flip ATOM 1175 CD2 HIS A 78 -4.352 -14.520 -8.528 1.00 0.00 C flip ATOM 1176 CE1 HIS A 78 -3.987 -15.895 -6.925 1.00 0.00 C flip ATOM 1177 NE2 HIS A 78 -3.630 -15.561 -8.151 1.00 0.00 N flip ATOM 0 H HIS A 78 -8.706 -14.102 -7.539 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.746 -13.129 -5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -6.664 -13.057 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -5.614 -12.086 -7.568 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.442 -15.057 -5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.281 -14.024 -9.485 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.571 -16.709 -6.350 1.00 0.00 H new ATOM 1186 N THR A 79 -7.252 -10.595 -6.410 1.00 0.00 N ATOM 1187 CA THR A 79 -7.854 -9.267 -6.410 1.00 0.00 C ATOM 1188 C THR A 79 -6.809 -8.195 -6.707 1.00 0.00 C ATOM 1189 O THR A 79 -6.005 -7.842 -5.844 1.00 0.00 O ATOM 1190 CB THR A 79 -8.519 -8.987 -5.061 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.480 -9.982 -4.760 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.214 -7.644 -5.004 1.00 0.00 C ATOM 0 H THR A 79 -6.236 -10.598 -6.317 1.00 0.00 H new ATOM 0 HA THR A 79 -8.610 -9.238 -7.194 1.00 0.00 H new ATOM 0 HB THR A 79 -7.708 -8.989 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.041 -10.738 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.664 -7.509 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.488 -6.851 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.991 -7.604 -5.767 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.829 -7.681 -7.932 1.00 0.00 N ATOM 1201 CA GLY A 80 -5.880 -6.654 -8.321 1.00 0.00 C ATOM 1202 C GLY A 80 -6.172 -5.319 -7.667 1.00 0.00 C ATOM 1203 O GLY A 80 -7.028 -4.566 -8.132 1.00 0.00 O ATOM 0 H GLY A 80 -7.485 -7.957 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.873 -6.974 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.900 -6.537 -9.404 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.461 -5.025 -6.582 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.652 -3.772 -5.861 1.00 0.00 C ATOM 1209 C VAL A 81 -5.336 -2.574 -6.751 1.00 0.00 C ATOM 1210 O VAL A 81 -4.304 -2.538 -7.420 1.00 0.00 O ATOM 1211 CB VAL A 81 -4.768 -3.711 -4.599 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -5.007 -2.415 -3.832 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -5.026 -4.919 -3.711 1.00 0.00 C ATOM 0 H VAL A 81 -4.749 -5.637 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.700 -3.732 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.724 -3.730 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.373 -2.394 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.767 -1.565 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.053 -2.358 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.394 -4.861 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.073 -4.932 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.795 -5.831 -4.261 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.233 -1.593 -6.746 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.054 -0.386 -7.544 1.00 0.00 C ATOM 1225 C ASP A 82 -6.077 0.850 -6.652 1.00 0.00 C ATOM 1226 O ASP A 82 -7.090 1.545 -6.562 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.147 -0.286 -8.610 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.690 -0.813 -9.957 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -6.354 -2.014 -10.041 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -6.669 -0.027 -10.926 1.00 0.00 O ATOM 0 H ASP A 82 -7.092 -1.611 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.085 -0.441 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.023 -0.846 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.454 0.754 -8.715 1.00 0.00 H new ATOM 1235 N SER A 83 -4.957 1.114 -5.990 1.00 0.00 N ATOM 1236 CA SER A 83 -4.848 2.261 -5.098 1.00 0.00 C ATOM 1237 C SER A 83 -4.012 3.368 -5.730 1.00 0.00 C ATOM 1238 O SER A 83 -3.459 3.200 -6.816 1.00 0.00 O ATOM 1239 CB SER A 83 -4.232 1.832 -3.765 1.00 0.00 C ATOM 1240 OG SER A 83 -3.349 0.738 -3.939 1.00 0.00 O ATOM 0 H SER A 83 -4.111 0.548 -6.054 1.00 0.00 H new ATOM 0 HA SER A 83 -5.850 2.651 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.694 2.671 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.023 1.557 -3.067 1.00 0.00 H new ATOM 0 HG SER A 83 -3.366 0.174 -3.138 1.00 0.00 H new ATOM 1246 N LEU A 84 -3.929 4.502 -5.041 1.00 0.00 N ATOM 1247 CA LEU A 84 -3.163 5.642 -5.534 1.00 0.00 C ATOM 1248 C LEU A 84 -2.300 6.236 -4.426 1.00 0.00 C ATOM 1249 O LEU A 84 -2.817 6.784 -3.452 1.00 0.00 O ATOM 1250 CB LEU A 84 -4.107 6.716 -6.084 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.536 7.587 -7.209 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -2.128 8.058 -6.874 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -3.543 6.829 -8.527 1.00 0.00 C ATOM 0 H LEU A 84 -4.382 4.656 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.511 5.291 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.010 6.228 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.407 7.366 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.172 8.466 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.747 8.674 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.149 8.644 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.478 7.194 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.134 7.463 -9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.934 5.930 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.566 6.550 -8.781 1.00 0.00 H new ATOM 1265 N CYS A 85 -0.984 6.133 -4.582 1.00 0.00 N ATOM 1266 CA CYS A 85 -0.061 6.672 -3.592 1.00 0.00 C ATOM 1267 C CYS A 85 -0.173 8.192 -3.533 1.00 0.00 C ATOM 1268 O CYS A 85 0.628 8.906 -4.138 1.00 0.00 O ATOM 1269 CB CYS A 85 1.381 6.272 -3.917 1.00 0.00 C ATOM 1270 SG CYS A 85 1.583 4.545 -4.410 1.00 0.00 S ATOM 0 H CYS A 85 -0.535 5.684 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.328 6.256 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.751 6.912 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.004 6.463 -3.043 1.00 0.00 H new ATOM 0 HG CYS A 85 1.054 4.364 -5.584 1.00 0.00 H new ATOM 1276 N ASN A 86 -1.175 8.681 -2.810 1.00 0.00 N ATOM 1277 CA ASN A 86 -1.394 10.118 -2.682 1.00 0.00 C ATOM 1278 C ASN A 86 -0.311 10.761 -1.823 1.00 0.00 C ATOM 1279 O ASN A 86 -0.042 10.313 -0.708 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.773 10.393 -2.078 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.837 10.598 -3.139 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -3.582 11.202 -4.181 1.00 0.00 O ATOM 1283 ND2 ASN A 86 -5.038 10.095 -2.877 1.00 0.00 N ATOM 0 H ASN A 86 -1.848 8.105 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.347 10.557 -3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.059 9.559 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.720 11.279 -1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.794 10.202 -3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.204 9.602 -2.000 1.00 0.00 H new ATOM 1290 N PHE A 87 0.307 11.814 -2.349 1.00 0.00 N ATOM 1291 CA PHE A 87 1.362 12.518 -1.630 1.00 0.00 C ATOM 1292 C PHE A 87 0.953 13.957 -1.333 1.00 0.00 C ATOM 1293 O PHE A 87 0.186 14.563 -2.082 1.00 0.00 O ATOM 1294 CB PHE A 87 2.658 12.502 -2.441 1.00 0.00 C ATOM 1295 CG PHE A 87 3.521 11.302 -2.168 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.021 10.021 -2.336 1.00 0.00 C ATOM 1297 CD2 PHE A 87 4.831 11.456 -1.743 1.00 0.00 C ATOM 1298 CE1 PHE A 87 3.811 8.916 -2.085 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.625 10.355 -1.491 1.00 0.00 C ATOM 1300 CZ PHE A 87 5.115 9.082 -1.662 1.00 0.00 C ATOM 0 H PHE A 87 0.095 12.198 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 87 1.527 12.004 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.413 12.530 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.226 13.406 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.002 9.885 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.235 12.448 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.409 7.923 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.644 10.489 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.735 8.219 -1.465 1.00 0.00 H new ATOM 1310 N SER A 88 1.470 14.496 -0.235 1.00 0.00 N ATOM 1311 CA SER A 88 1.161 15.865 0.164 1.00 0.00 C ATOM 1312 C SER A 88 1.831 16.868 -0.773 1.00 0.00 C ATOM 1313 O SER A 88 2.723 16.510 -1.541 1.00 0.00 O ATOM 1314 CB SER A 88 1.615 16.110 1.604 1.00 0.00 C ATOM 1315 OG SER A 88 0.535 15.973 2.510 1.00 0.00 O ATOM 0 H SER A 88 2.105 14.006 0.395 1.00 0.00 H new ATOM 0 HA SER A 88 0.082 16.003 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.404 15.405 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.040 17.110 1.689 1.00 0.00 H new ATOM 0 HG SER A 88 0.852 16.133 3.423 1.00 0.00 H new ATOM 1321 N PRO A 89 1.409 18.144 -0.719 1.00 0.00 N ATOM 1322 CA PRO A 89 1.976 19.197 -1.567 1.00 0.00 C ATOM 1323 C PRO A 89 3.466 19.401 -1.312 1.00 0.00 C ATOM 1324 O PRO A 89 4.225 19.717 -2.227 1.00 0.00 O ATOM 1325 CB PRO A 89 1.188 20.452 -1.171 1.00 0.00 C ATOM 1326 CG PRO A 89 0.605 20.139 0.166 1.00 0.00 C ATOM 1327 CD PRO A 89 0.353 18.659 0.168 1.00 0.00 C ATOM 0 HA PRO A 89 1.895 18.951 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.837 21.326 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.408 20.674 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.290 20.420 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.320 20.693 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.427 18.238 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.642 18.418 -0.206 1.00 0.00 H new ATOM 1335 N LEU A 90 3.878 19.214 -0.062 1.00 0.00 N ATOM 1336 CA LEU A 90 5.278 19.374 0.313 1.00 0.00 C ATOM 1337 C LEU A 90 6.163 18.395 -0.453 1.00 0.00 C ATOM 1338 O LEU A 90 7.343 18.659 -0.682 1.00 0.00 O ATOM 1339 CB LEU A 90 5.451 19.166 1.818 1.00 0.00 C ATOM 1340 CG LEU A 90 5.209 20.408 2.676 1.00 0.00 C ATOM 1341 CD1 LEU A 90 3.726 20.568 2.977 1.00 0.00 C ATOM 1342 CD2 LEU A 90 6.011 20.328 3.966 1.00 0.00 C ATOM 0 H LEU A 90 3.262 18.952 0.708 1.00 0.00 H new ATOM 0 HA LEU A 90 5.583 20.388 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.767 18.381 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.462 18.805 2.005 1.00 0.00 H new ATOM 0 HG LEU A 90 5.542 21.283 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.573 21.457 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.174 20.671 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.367 19.691 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.827 21.220 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.708 19.445 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.073 20.262 3.731 1.00 0.00 H new ATOM 1354 N ALA A 91 5.585 17.263 -0.847 1.00 0.00 N ATOM 1355 CA ALA A 91 6.321 16.245 -1.587 1.00 0.00 C ATOM 1356 C ALA A 91 6.914 16.816 -2.870 1.00 0.00 C ATOM 1357 O ALA A 91 6.451 17.836 -3.381 1.00 0.00 O ATOM 1358 CB ALA A 91 5.414 15.066 -1.905 1.00 0.00 C ATOM 0 H ALA A 91 4.609 17.029 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 91 7.143 15.901 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.976 14.313 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.042 14.632 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.573 15.407 -2.509 1.00 0.00 H new ATOM 1364 N ARG A 92 7.941 16.150 -3.387 1.00 0.00 N ATOM 1365 CA ARG A 92 8.600 16.587 -4.612 1.00 0.00 C ATOM 1366 C ARG A 92 9.688 15.602 -5.025 1.00 0.00 C ATOM 1367 O ARG A 92 9.865 15.317 -6.209 1.00 0.00 O ATOM 1368 CB ARG A 92 9.200 17.983 -4.426 1.00 0.00 C ATOM 1369 CG ARG A 92 9.629 18.640 -5.727 1.00 0.00 C ATOM 1370 CD ARG A 92 8.432 19.013 -6.585 1.00 0.00 C ATOM 1371 NE ARG A 92 7.742 20.198 -6.080 1.00 0.00 N ATOM 1372 CZ ARG A 92 8.145 21.445 -6.311 1.00 0.00 C ATOM 1373 NH1 ARG A 92 9.234 21.677 -7.033 1.00 0.00 N ATOM 1374 NH2 ARG A 92 7.456 22.466 -5.817 1.00 0.00 N ATOM 0 H ARG A 92 8.335 15.304 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 92 7.851 16.626 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.468 18.621 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.062 17.913 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.214 19.534 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.278 17.962 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.762 19.195 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.735 18.175 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 92 6.902 20.061 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.768 20.897 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.537 22.636 -7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.618 22.295 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.764 23.422 -5.993 1.00 0.00 H new ATOM 1388 N ARG A 93 10.415 15.083 -4.040 1.00 0.00 N ATOM 1389 CA ARG A 93 11.484 14.127 -4.301 1.00 0.00 C ATOM 1390 C ARG A 93 10.935 12.704 -4.380 1.00 0.00 C ATOM 1391 O ARG A 93 11.381 11.814 -3.656 1.00 0.00 O ATOM 1392 CB ARG A 93 12.554 14.217 -3.211 1.00 0.00 C ATOM 1393 CG ARG A 93 13.229 15.577 -3.131 1.00 0.00 C ATOM 1394 CD ARG A 93 12.811 16.336 -1.881 1.00 0.00 C ATOM 1395 NE ARG A 93 13.706 17.455 -1.595 1.00 0.00 N ATOM 1396 CZ ARG A 93 14.966 17.313 -1.190 1.00 0.00 C ATOM 1397 NH1 ARG A 93 15.483 16.102 -1.021 1.00 0.00 N ATOM 1398 NH2 ARG A 93 15.711 18.383 -0.954 1.00 0.00 N ATOM 0 H ARG A 93 10.283 15.309 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 93 11.934 14.375 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.099 13.989 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.312 13.455 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.311 15.448 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.975 16.162 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.794 16.708 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.799 15.655 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 93 13.344 18.401 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.914 15.275 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.449 15.999 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.319 19.316 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.676 18.274 -0.644 1.00 0.00 H new ATOM 1412 N VAL A 94 9.964 12.500 -5.263 1.00 0.00 N ATOM 1413 CA VAL A 94 9.352 11.187 -5.437 1.00 0.00 C ATOM 1414 C VAL A 94 9.112 10.889 -6.914 1.00 0.00 C ATOM 1415 O VAL A 94 8.633 11.744 -7.659 1.00 0.00 O ATOM 1416 CB VAL A 94 8.013 11.082 -4.679 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.572 9.631 -4.572 1.00 0.00 C ATOM 1418 CG2 VAL A 94 8.125 11.712 -3.298 1.00 0.00 C ATOM 0 H VAL A 94 9.583 13.226 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 94 10.048 10.456 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 94 7.258 11.630 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.625 9.577 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.446 9.214 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.328 9.060 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.169 11.627 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.895 11.197 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.391 12.764 -3.399 1.00 0.00 H new ATOM 1428 N ASP A 95 9.448 9.673 -7.331 1.00 0.00 N ATOM 1429 CA ASP A 95 9.269 9.266 -8.720 1.00 0.00 C ATOM 1430 C ASP A 95 8.322 8.077 -8.824 1.00 0.00 C ATOM 1431 O ASP A 95 7.255 8.167 -9.432 1.00 0.00 O ATOM 1432 CB ASP A 95 10.618 8.914 -9.350 1.00 0.00 C ATOM 1433 CG ASP A 95 11.580 10.085 -9.347 1.00 0.00 C ATOM 1434 OD1 ASP A 95 12.176 10.362 -8.285 1.00 0.00 O ATOM 1435 OD2 ASP A 95 11.739 10.726 -10.408 1.00 0.00 O ATOM 0 H ASP A 95 9.845 8.953 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 95 8.830 10.104 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.063 8.080 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.461 8.579 -10.375 1.00 0.00 H new ATOM 1440 N ARG A 96 8.723 6.964 -8.228 1.00 0.00 N ATOM 1441 CA ARG A 96 7.916 5.748 -8.248 1.00 0.00 C ATOM 1442 C ARG A 96 8.613 4.622 -7.490 1.00 0.00 C ATOM 1443 O ARG A 96 7.987 3.910 -6.703 1.00 0.00 O ATOM 1444 CB ARG A 96 7.646 5.313 -9.691 1.00 0.00 C ATOM 1445 CG ARG A 96 8.888 5.304 -10.566 1.00 0.00 C ATOM 1446 CD ARG A 96 8.532 5.140 -12.035 1.00 0.00 C ATOM 1447 NE ARG A 96 9.634 4.567 -12.805 1.00 0.00 N ATOM 1448 CZ ARG A 96 9.733 4.646 -14.130 1.00 0.00 C ATOM 1449 NH1 ARG A 96 8.799 5.272 -14.836 1.00 0.00 N ATOM 1450 NH2 ARG A 96 10.769 4.099 -14.751 1.00 0.00 N ATOM 0 H ARG A 96 9.605 6.875 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 96 6.967 5.963 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.209 4.315 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.907 5.982 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.440 6.233 -10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.546 4.492 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.655 4.500 -12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.263 6.110 -12.453 1.00 0.00 H new ATOM 0 HE ARG A 96 10.371 4.078 -12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.001 5.695 -14.363 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.880 5.330 -15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.490 3.618 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.845 4.159 -15.766 1.00 0.00 H new ATOM 1464 N VAL A 97 9.910 4.469 -7.730 1.00 0.00 N ATOM 1465 CA VAL A 97 10.693 3.431 -7.071 1.00 0.00 C ATOM 1466 C VAL A 97 10.698 3.623 -5.557 1.00 0.00 C ATOM 1467 O VAL A 97 10.850 2.663 -4.801 1.00 0.00 O ATOM 1468 CB VAL A 97 12.147 3.416 -7.580 1.00 0.00 C ATOM 1469 CG1 VAL A 97 12.905 2.230 -7.002 1.00 0.00 C ATOM 1470 CG2 VAL A 97 12.182 3.388 -9.101 1.00 0.00 C ATOM 0 H VAL A 97 10.442 5.051 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 97 10.221 2.478 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 97 12.637 4.330 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.930 2.237 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.913 2.298 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.416 1.304 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.218 3.378 -9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.673 2.493 -9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.680 4.273 -9.493 1.00 0.00 H new ATOM 1480 N ALA A 98 10.531 4.868 -5.120 1.00 0.00 N ATOM 1481 CA ALA A 98 10.517 5.181 -3.695 1.00 0.00 C ATOM 1482 C ALA A 98 9.417 4.409 -2.975 1.00 0.00 C ATOM 1483 O ALA A 98 9.692 3.588 -2.100 1.00 0.00 O ATOM 1484 CB ALA A 98 10.337 6.677 -3.489 1.00 0.00 C ATOM 0 H ALA A 98 10.404 5.675 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 98 11.474 4.878 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.328 6.899 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.160 7.211 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.394 6.995 -3.934 1.00 0.00 H new ATOM 1490 N ILE A 99 8.170 4.678 -3.347 1.00 0.00 N ATOM 1491 CA ILE A 99 7.028 4.008 -2.736 1.00 0.00 C ATOM 1492 C ILE A 99 7.040 2.512 -3.040 1.00 0.00 C ATOM 1493 O ILE A 99 6.462 1.715 -2.302 1.00 0.00 O ATOM 1494 CB ILE A 99 5.695 4.613 -3.222 1.00 0.00 C ATOM 1495 CG1 ILE A 99 5.697 6.131 -3.029 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.524 3.983 -2.480 1.00 0.00 C ATOM 1497 CD1 ILE A 99 4.860 6.873 -4.048 1.00 0.00 C ATOM 0 H ILE A 99 7.925 5.356 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 99 7.112 4.156 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 99 5.584 4.400 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.327 6.362 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.723 6.494 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.591 4.421 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.513 2.908 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.629 4.168 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.909 7.944 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.243 6.672 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.825 6.538 -3.982 1.00 0.00 H new ATOM 1509 N TYR A 100 7.703 2.137 -4.130 1.00 0.00 N ATOM 1510 CA TYR A 100 7.790 0.737 -4.529 1.00 0.00 C ATOM 1511 C TYR A 100 8.803 -0.011 -3.668 1.00 0.00 C ATOM 1512 O TYR A 100 8.537 -1.119 -3.200 1.00 0.00 O ATOM 1513 CB TYR A 100 8.180 0.630 -6.003 1.00 0.00 C ATOM 1514 CG TYR A 100 8.184 -0.789 -6.529 1.00 0.00 C ATOM 1515 CD1 TYR A 100 7.019 -1.545 -6.548 1.00 0.00 C ATOM 1516 CD2 TYR A 100 9.353 -1.370 -7.005 1.00 0.00 C ATOM 1517 CE1 TYR A 100 7.018 -2.841 -7.027 1.00 0.00 C ATOM 1518 CE2 TYR A 100 9.360 -2.666 -7.485 1.00 0.00 C ATOM 1519 CZ TYR A 100 8.191 -3.397 -7.494 1.00 0.00 C ATOM 1520 OH TYR A 100 8.194 -4.688 -7.971 1.00 0.00 O ATOM 0 H TYR A 100 8.188 2.784 -4.752 1.00 0.00 H new ATOM 0 HA TYR A 100 6.810 0.281 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.488 1.227 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.171 1.062 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.099 -1.113 -6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.270 -0.800 -7.000 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.104 -3.416 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.277 -3.104 -7.851 1.00 0.00 H new ATOM 0 HH TYR A 100 7.287 -4.937 -8.246 1.00 0.00 H new ATOM 1530 N GLU A 101 9.964 0.601 -3.463 1.00 0.00 N ATOM 1531 CA GLU A 101 11.018 -0.007 -2.661 1.00 0.00 C ATOM 1532 C GLU A 101 10.667 0.035 -1.176 1.00 0.00 C ATOM 1533 O GLU A 101 10.832 -0.953 -0.462 1.00 0.00 O ATOM 1534 CB GLU A 101 12.349 0.711 -2.902 1.00 0.00 C ATOM 1535 CG GLU A 101 13.123 0.169 -4.093 1.00 0.00 C ATOM 1536 CD GLU A 101 14.606 0.029 -3.809 1.00 0.00 C ATOM 1537 OE1 GLU A 101 14.969 -0.785 -2.934 1.00 0.00 O ATOM 1538 OE2 GLU A 101 15.404 0.732 -4.463 1.00 0.00 O ATOM 0 H GLU A 101 10.199 1.519 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 101 11.114 -1.050 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.157 1.773 -3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.966 0.625 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.717 -0.803 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.981 0.832 -4.946 1.00 0.00 H new ATOM 1545 N GLU A 102 10.184 1.186 -0.719 1.00 0.00 N ATOM 1546 CA GLU A 102 9.809 1.355 0.680 1.00 0.00 C ATOM 1547 C GLU A 102 8.742 0.343 1.085 1.00 0.00 C ATOM 1548 O GLU A 102 8.755 -0.176 2.202 1.00 0.00 O ATOM 1549 CB GLU A 102 9.299 2.777 0.923 1.00 0.00 C ATOM 1550 CG GLU A 102 10.349 3.707 1.510 1.00 0.00 C ATOM 1551 CD GLU A 102 11.206 4.364 0.445 1.00 0.00 C ATOM 1552 OE1 GLU A 102 10.718 5.311 -0.208 1.00 0.00 O ATOM 1553 OE2 GLU A 102 12.362 3.932 0.264 1.00 0.00 O ATOM 0 H GLU A 102 10.043 2.015 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 102 10.695 1.184 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.943 3.193 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.443 2.737 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.856 4.478 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.989 3.144 2.190 1.00 0.00 H new ATOM 1560 N PHE A 103 7.820 0.065 0.169 1.00 0.00 N ATOM 1561 CA PHE A 103 6.746 -0.886 0.430 1.00 0.00 C ATOM 1562 C PHE A 103 7.273 -2.317 0.420 1.00 0.00 C ATOM 1563 O PHE A 103 6.956 -3.111 1.306 1.00 0.00 O ATOM 1564 CB PHE A 103 5.636 -0.731 -0.613 1.00 0.00 C ATOM 1565 CG PHE A 103 4.443 -1.605 -0.354 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.580 -1.328 0.694 1.00 0.00 C ATOM 1567 CD2 PHE A 103 4.183 -2.702 -1.159 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.480 -2.130 0.934 1.00 0.00 C ATOM 1569 CE2 PHE A 103 3.085 -3.507 -0.924 1.00 0.00 C ATOM 1570 CZ PHE A 103 2.232 -3.221 0.124 1.00 0.00 C ATOM 0 H PHE A 103 7.795 0.485 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 103 6.339 -0.675 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.315 0.310 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.040 -0.964 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.769 -0.476 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.846 -2.931 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.815 -1.904 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.894 -4.359 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.373 -3.849 0.310 1.00 0.00 H new ATOM 1580 N LEU A 104 8.077 -2.638 -0.587 1.00 0.00 N ATOM 1581 CA LEU A 104 8.649 -3.974 -0.713 1.00 0.00 C ATOM 1582 C LEU A 104 9.505 -4.320 0.501 1.00 0.00 C ATOM 1583 O LEU A 104 9.561 -5.474 0.924 1.00 0.00 O ATOM 1584 CB LEU A 104 9.490 -4.072 -1.988 1.00 0.00 C ATOM 1585 CG LEU A 104 8.688 -4.172 -3.287 1.00 0.00 C ATOM 1586 CD1 LEU A 104 9.459 -3.547 -4.440 1.00 0.00 C ATOM 1587 CD2 LEU A 104 8.351 -5.624 -3.593 1.00 0.00 C ATOM 0 H LEU A 104 8.348 -1.992 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 104 7.828 -4.688 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.138 -3.198 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.138 -4.945 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 104 7.756 -3.622 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.873 -3.627 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.650 -2.496 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.407 -4.069 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.780 -5.677 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.272 -6.197 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.759 -6.040 -2.778 1.00 0.00 H new ATOM 1599 N ARG A 105 10.173 -3.313 1.054 1.00 0.00 N ATOM 1600 CA ARG A 105 11.028 -3.511 2.219 1.00 0.00 C ATOM 1601 C ARG A 105 10.198 -3.783 3.469 1.00 0.00 C ATOM 1602 O ARG A 105 10.644 -4.480 4.381 1.00 0.00 O ATOM 1603 CB ARG A 105 11.914 -2.283 2.439 1.00 0.00 C ATOM 1604 CG ARG A 105 13.285 -2.617 3.004 1.00 0.00 C ATOM 1605 CD ARG A 105 13.777 -1.531 3.948 1.00 0.00 C ATOM 1606 NE ARG A 105 14.360 -0.403 3.227 1.00 0.00 N ATOM 1607 CZ ARG A 105 15.591 -0.403 2.720 1.00 0.00 C ATOM 1608 NH1 ARG A 105 16.370 -1.469 2.852 1.00 0.00 N ATOM 1609 NH2 ARG A 105 16.043 0.667 2.078 1.00 0.00 N ATOM 0 H ARG A 105 10.139 -2.352 0.714 1.00 0.00 H new ATOM 0 HA ARG A 105 11.659 -4.380 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.038 -1.760 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.408 -1.597 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.240 -3.568 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.996 -2.741 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.947 -1.180 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.519 -1.950 4.627 1.00 0.00 H new ATOM 0 HE ARG A 105 13.791 0.434 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.027 -2.294 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.312 -1.464 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.447 1.488 1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.986 0.668 1.689 1.00 0.00 H new ATOM 1623 N MET A 106 8.991 -3.230 3.506 1.00 0.00 N ATOM 1624 CA MET A 106 8.101 -3.414 4.648 1.00 0.00 C ATOM 1625 C MET A 106 7.194 -4.625 4.453 1.00 0.00 C ATOM 1626 O MET A 106 6.727 -5.223 5.422 1.00 0.00 O ATOM 1627 CB MET A 106 7.252 -2.161 4.865 1.00 0.00 C ATOM 1628 CG MET A 106 6.634 -2.081 6.251 1.00 0.00 C ATOM 1629 SD MET A 106 7.339 -0.758 7.256 1.00 0.00 S ATOM 1630 CE MET A 106 7.170 0.636 6.146 1.00 0.00 C ATOM 0 H MET A 106 8.606 -2.651 2.760 1.00 0.00 H new ATOM 0 HA MET A 106 8.720 -3.588 5.528 1.00 0.00 H new ATOM 0 HB2 MET A 106 7.871 -1.279 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.457 -2.136 4.119 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.559 -1.926 6.156 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.775 -3.033 6.762 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.157 1.032 5.906 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.676 0.313 5.229 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.574 1.413 6.625 1.00 0.00 H new ATOM 1640 N THR A 107 6.946 -4.982 3.196 1.00 0.00 N ATOM 1641 CA THR A 107 6.091 -6.121 2.882 1.00 0.00 C ATOM 1642 C THR A 107 6.916 -7.387 2.655 1.00 0.00 C ATOM 1643 O THR A 107 6.447 -8.337 2.027 1.00 0.00 O ATOM 1644 CB THR A 107 5.246 -5.820 1.644 1.00 0.00 C ATOM 1645 OG1 THR A 107 6.050 -5.309 0.596 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.142 -4.817 1.903 1.00 0.00 C ATOM 0 H THR A 107 7.324 -4.500 2.381 1.00 0.00 H new ATOM 0 HA THR A 107 5.433 -6.292 3.734 1.00 0.00 H new ATOM 0 HB THR A 107 4.795 -6.773 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.048 -4.330 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.581 -4.648 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.472 -5.203 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.577 -3.876 2.240 1.00 0.00 H new ATOM 1654 N HIS A 108 8.143 -7.398 3.171 1.00 0.00 N ATOM 1655 CA HIS A 108 9.026 -8.551 3.024 1.00 0.00 C ATOM 1656 C HIS A 108 9.157 -8.961 1.559 1.00 0.00 C ATOM 1657 O HIS A 108 8.539 -9.929 1.116 1.00 0.00 O ATOM 1658 CB HIS A 108 8.503 -9.726 3.855 1.00 0.00 C ATOM 1659 CG HIS A 108 9.556 -10.384 4.691 1.00 0.00 C ATOM 1660 ND1 HIS A 108 9.750 -10.094 6.025 1.00 0.00 N ATOM 1661 CD2 HIS A 108 10.477 -11.326 4.376 1.00 0.00 C ATOM 1662 CE1 HIS A 108 10.744 -10.827 6.494 1.00 0.00 C ATOM 1663 NE2 HIS A 108 11.202 -11.582 5.514 1.00 0.00 N ATOM 0 H HIS A 108 8.548 -6.622 3.694 1.00 0.00 H new ATOM 0 HA HIS A 108 10.014 -8.269 3.387 1.00 0.00 H new ATOM 0 HB2 HIS A 108 7.703 -9.373 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 108 8.066 -10.467 3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.615 -11.789 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.118 -10.811 7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.971 -12.248 5.589 1.00 0.00 H new ATOM 1672 N ASN A 109 9.966 -8.218 0.812 1.00 0.00 N ATOM 1673 CA ASN A 109 10.178 -8.503 -0.603 1.00 0.00 C ATOM 1674 C ASN A 109 8.858 -8.471 -1.370 1.00 0.00 C ATOM 1675 O ASN A 109 8.712 -9.131 -2.398 1.00 0.00 O ATOM 1676 CB ASN A 109 10.850 -9.868 -0.772 1.00 0.00 C ATOM 1677 CG ASN A 109 12.132 -9.785 -1.579 1.00 0.00 C ATOM 1678 OD1 ASN A 109 13.226 -9.701 -1.022 1.00 0.00 O ATOM 1679 ND2 ASN A 109 12.001 -9.810 -2.900 1.00 0.00 N ATOM 0 H ASN A 109 10.486 -7.414 1.162 1.00 0.00 H new ATOM 0 HA ASN A 109 10.830 -7.731 -1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.069 -10.286 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 109 10.158 -10.552 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 109 12.828 -9.759 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 109 11.074 -9.881 -3.319 1.00 0.00 H new ATOM 1686 N GLY A 110 7.902 -7.700 -0.863 1.00 0.00 N ATOM 1687 CA GLY A 110 6.608 -7.596 -1.513 1.00 0.00 C ATOM 1688 C GLY A 110 5.910 -8.936 -1.632 1.00 0.00 C ATOM 1689 O GLY A 110 5.450 -9.308 -2.711 1.00 0.00 O ATOM 0 H GLY A 110 8.000 -7.145 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.976 -6.909 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.737 -7.168 -2.507 1.00 0.00 H new ATOM 1693 N THR A 111 5.832 -9.662 -0.522 1.00 0.00 N ATOM 1694 CA THR A 111 5.187 -10.971 -0.510 1.00 0.00 C ATOM 1695 C THR A 111 4.093 -11.036 0.551 1.00 0.00 C ATOM 1696 O THR A 111 3.038 -11.632 0.332 1.00 0.00 O ATOM 1697 CB THR A 111 6.220 -12.069 -0.259 1.00 0.00 C ATOM 1698 OG1 THR A 111 6.930 -11.826 0.942 1.00 0.00 O ATOM 1699 CG2 THR A 111 7.235 -12.202 -1.373 1.00 0.00 C ATOM 0 H THR A 111 6.207 -9.367 0.380 1.00 0.00 H new ATOM 0 HA THR A 111 4.728 -11.127 -1.486 1.00 0.00 H new ATOM 0 HB THR A 111 5.647 -12.994 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.665 -11.201 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.938 -12.999 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.723 -12.440 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.776 -11.263 -1.486 1.00 0.00 H new ATOM 1707 N GLN A 112 4.349 -10.426 1.705 1.00 0.00 N ATOM 1708 CA GLN A 112 3.381 -10.425 2.796 1.00 0.00 C ATOM 1709 C GLN A 112 3.148 -9.013 3.325 1.00 0.00 C ATOM 1710 O GLN A 112 3.980 -8.465 4.048 1.00 0.00 O ATOM 1711 CB GLN A 112 3.859 -11.333 3.929 1.00 0.00 C ATOM 1712 CG GLN A 112 2.768 -11.691 4.924 1.00 0.00 C ATOM 1713 CD GLN A 112 3.278 -11.759 6.350 1.00 0.00 C ATOM 1714 OE1 GLN A 112 4.384 -11.309 6.648 1.00 0.00 O ATOM 1715 NE2 GLN A 112 2.471 -12.326 7.241 1.00 0.00 N ATOM 0 H GLN A 112 5.216 -9.928 1.908 1.00 0.00 H new ATOM 0 HA GLN A 112 2.436 -10.804 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.264 -12.250 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.674 -10.840 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.969 -10.952 4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.334 -12.653 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.562 -12.686 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.761 -12.401 8.216 1.00 0.00 H new ATOM 1724 N LEU A 113 2.008 -8.432 2.963 1.00 0.00 N ATOM 1725 CA LEU A 113 1.661 -7.087 3.407 1.00 0.00 C ATOM 1726 C LEU A 113 1.055 -7.124 4.806 1.00 0.00 C ATOM 1727 O LEU A 113 -0.145 -7.343 4.968 1.00 0.00 O ATOM 1728 CB LEU A 113 0.683 -6.439 2.419 1.00 0.00 C ATOM 1729 CG LEU A 113 0.125 -5.068 2.827 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -1.158 -5.228 3.625 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.153 -4.272 3.621 1.00 0.00 C ATOM 0 H LEU A 113 1.309 -8.872 2.364 1.00 0.00 H new ATOM 0 HA LEU A 113 2.571 -6.488 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.185 -6.333 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.155 -7.120 2.268 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.101 -4.513 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.538 -4.245 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.902 -5.745 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.957 -5.809 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.731 -3.306 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.421 -4.822 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.044 -4.118 3.012 1.00 0.00 H new ATOM 1743 N LEU A 114 1.898 -6.919 5.815 1.00 0.00 N ATOM 1744 CA LEU A 114 1.454 -6.936 7.206 1.00 0.00 C ATOM 1745 C LEU A 114 0.894 -8.305 7.580 1.00 0.00 C ATOM 1746 O LEU A 114 1.580 -9.119 8.198 1.00 0.00 O ATOM 1747 CB LEU A 114 0.397 -5.855 7.445 1.00 0.00 C ATOM 1748 CG LEU A 114 0.941 -4.430 7.555 1.00 0.00 C ATOM 1749 CD1 LEU A 114 -0.178 -3.455 7.890 1.00 0.00 C ATOM 1750 CD2 LEU A 114 2.044 -4.360 8.602 1.00 0.00 C ATOM 0 H LEU A 114 2.895 -6.739 5.695 1.00 0.00 H new ATOM 0 HA LEU A 114 2.318 -6.730 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.326 -5.889 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.143 -6.093 8.361 1.00 0.00 H new ATOM 0 HG LEU A 114 1.364 -4.147 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.228 -2.446 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.934 -3.485 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.631 -3.734 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.420 -3.339 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.646 -4.663 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.857 -5.028 8.319 1.00 0.00 H new ATOM 1762 N ASN A 115 -0.355 -8.549 7.202 1.00 0.00 N ATOM 1763 CA ASN A 115 -1.010 -9.820 7.496 1.00 0.00 C ATOM 1764 C ASN A 115 -1.438 -10.522 6.210 1.00 0.00 C ATOM 1765 O ASN A 115 -1.342 -11.745 6.098 1.00 0.00 O ATOM 1766 CB ASN A 115 -2.226 -9.593 8.396 1.00 0.00 C ATOM 1767 CG ASN A 115 -1.855 -9.533 9.864 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -2.200 -8.580 10.565 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -1.149 -10.553 10.339 1.00 0.00 N ATOM 0 H ASN A 115 -0.936 -7.884 6.691 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.295 -10.458 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.718 -8.663 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.946 -10.396 8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.871 -10.568 11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -0.885 -11.321 9.722 1.00 0.00 H new ATOM 1776 N PHE A 116 -1.911 -9.742 5.244 1.00 0.00 N ATOM 1777 CA PHE A 116 -2.355 -10.288 3.967 1.00 0.00 C ATOM 1778 C PHE A 116 -1.165 -10.646 3.083 1.00 0.00 C ATOM 1779 O PHE A 116 -0.283 -9.820 2.846 1.00 0.00 O ATOM 1780 CB PHE A 116 -3.255 -9.283 3.246 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.674 -9.288 3.738 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -5.037 -8.546 4.850 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -5.644 -10.034 3.088 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -6.342 -8.549 5.307 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -6.951 -10.040 3.539 1.00 0.00 C ATOM 1786 CZ PHE A 116 -7.300 -9.296 4.649 1.00 0.00 C ATOM 0 H PHE A 116 -1.997 -8.729 5.321 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.922 -11.197 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.840 -8.283 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.248 -9.502 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.292 -7.958 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.376 -10.617 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.612 -7.968 6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.698 -10.626 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.321 -9.298 5.002 1.00 0.00 H new ATOM 1796 N THR A 117 -1.147 -11.883 2.595 1.00 0.00 N ATOM 1797 CA THR A 117 -0.067 -12.350 1.734 1.00 0.00 C ATOM 1798 C THR A 117 -0.401 -12.103 0.267 1.00 0.00 C ATOM 1799 O THR A 117 -1.382 -12.632 -0.255 1.00 0.00 O ATOM 1800 CB THR A 117 0.193 -13.839 1.968 1.00 0.00 C ATOM 1801 OG1 THR A 117 -0.959 -14.604 1.665 1.00 0.00 O ATOM 1802 CG2 THR A 117 0.595 -14.160 3.392 1.00 0.00 C ATOM 0 H THR A 117 -1.868 -12.579 2.782 1.00 0.00 H new ATOM 0 HA THR A 117 0.834 -11.790 1.983 1.00 0.00 H new ATOM 0 HB THR A 117 1.021 -14.094 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.771 -15.553 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.764 -15.232 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.511 -13.624 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.200 -13.855 4.072 1.00 0.00 H new ATOM 1810 N LEU A 118 0.418 -11.291 -0.395 1.00 0.00 N ATOM 1811 CA LEU A 118 0.203 -10.973 -1.801 1.00 0.00 C ATOM 1812 C LEU A 118 1.466 -11.218 -2.621 1.00 0.00 C ATOM 1813 O LEU A 118 2.569 -11.286 -2.077 1.00 0.00 O ATOM 1814 CB LEU A 118 -0.249 -9.518 -1.952 1.00 0.00 C ATOM 1815 CG LEU A 118 0.675 -8.479 -1.314 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.723 -8.012 -2.311 1.00 0.00 C ATOM 1817 CD2 LEU A 118 -0.133 -7.300 -0.793 1.00 0.00 C ATOM 0 H LEU A 118 1.235 -10.842 0.020 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.580 -11.631 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.344 -9.292 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.242 -9.415 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 118 1.189 -8.943 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.371 -7.273 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.321 -8.864 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.230 -7.564 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.539 -6.570 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.673 -6.836 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.845 -7.649 -0.045 1.00 0.00 H new ATOM 1829 N ASP A 119 1.295 -11.355 -3.932 1.00 0.00 N ATOM 1830 CA ASP A 119 2.418 -11.598 -4.831 1.00 0.00 C ATOM 1831 C ASP A 119 3.375 -10.409 -4.851 1.00 0.00 C ATOM 1832 O ASP A 119 3.137 -9.397 -4.191 1.00 0.00 O ATOM 1833 CB ASP A 119 1.911 -11.880 -6.246 1.00 0.00 C ATOM 1834 CG ASP A 119 2.788 -12.868 -6.990 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.439 -13.702 -6.326 1.00 0.00 O ATOM 1836 OD2 ASP A 119 2.824 -12.808 -8.238 1.00 0.00 O ATOM 0 H ASP A 119 0.388 -11.302 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 119 2.961 -12.469 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.894 -12.269 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.866 -10.946 -6.806 1.00 0.00 H new ATOM 1841 N ARG A 120 4.456 -10.540 -5.613 1.00 0.00 N ATOM 1842 CA ARG A 120 5.450 -9.478 -5.721 1.00 0.00 C ATOM 1843 C ARG A 120 5.547 -8.970 -7.156 1.00 0.00 C ATOM 1844 O ARG A 120 5.643 -7.766 -7.393 1.00 0.00 O ATOM 1845 CB ARG A 120 6.817 -9.982 -5.254 1.00 0.00 C ATOM 1846 CG ARG A 120 7.909 -8.925 -5.313 1.00 0.00 C ATOM 1847 CD ARG A 120 9.273 -9.544 -5.585 1.00 0.00 C ATOM 1848 NE ARG A 120 9.839 -9.087 -6.852 1.00 0.00 N ATOM 1849 CZ ARG A 120 10.473 -7.927 -7.006 1.00 0.00 C ATOM 1850 NH1 ARG A 120 10.625 -7.102 -5.977 1.00 0.00 N ATOM 1851 NH2 ARG A 120 10.957 -7.590 -8.194 1.00 0.00 N ATOM 0 H ARG A 120 4.666 -11.372 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 120 5.136 -8.653 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.730 -10.346 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.112 -10.831 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.675 -8.202 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.938 -8.378 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.954 -9.292 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.182 -10.630 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 120 9.743 -9.693 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.255 -7.356 -5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.112 -6.215 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.843 -8.220 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.443 -6.701 -8.313 1.00 0.00 H new ATOM 1865 N LYS A 121 5.523 -9.896 -8.110 1.00 0.00 N ATOM 1866 CA LYS A 121 5.608 -9.542 -9.521 1.00 0.00 C ATOM 1867 C LYS A 121 4.458 -8.625 -9.924 1.00 0.00 C ATOM 1868 O LYS A 121 4.610 -7.769 -10.796 1.00 0.00 O ATOM 1869 CB LYS A 121 5.597 -10.805 -10.386 1.00 0.00 C ATOM 1870 CG LYS A 121 6.537 -11.892 -9.888 1.00 0.00 C ATOM 1871 CD LYS A 121 5.772 -13.047 -9.260 1.00 0.00 C ATOM 1872 CE LYS A 121 6.697 -13.976 -8.490 1.00 0.00 C ATOM 1873 NZ LYS A 121 6.856 -15.291 -9.170 1.00 0.00 N ATOM 0 H LYS A 121 5.445 -10.897 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 121 6.545 -9.008 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.582 -11.202 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.871 -10.539 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.139 -12.262 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.227 -11.471 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.007 -12.656 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.256 -13.609 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.674 -13.505 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.301 -14.132 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.494 -15.895 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.928 -15.753 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.257 -15.145 -10.118 1.00 0.00 H new ATOM 1887 N SER A 122 3.308 -8.811 -9.285 1.00 0.00 N ATOM 1888 CA SER A 122 2.132 -7.999 -9.577 1.00 0.00 C ATOM 1889 C SER A 122 2.262 -6.610 -8.961 1.00 0.00 C ATOM 1890 O SER A 122 1.743 -5.630 -9.497 1.00 0.00 O ATOM 1891 CB SER A 122 0.870 -8.685 -9.053 1.00 0.00 C ATOM 1892 OG SER A 122 -0.279 -7.888 -9.286 1.00 0.00 O ATOM 0 H SER A 122 3.165 -9.516 -8.562 1.00 0.00 H new ATOM 0 HA SER A 122 2.056 -7.891 -10.659 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.750 -9.653 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.973 -8.876 -7.985 1.00 0.00 H new ATOM 0 HG SER A 122 -0.003 -6.993 -9.576 1.00 0.00 H new ATOM 1898 N VAL A 123 2.961 -6.531 -7.833 1.00 0.00 N ATOM 1899 CA VAL A 123 3.160 -5.261 -7.145 1.00 0.00 C ATOM 1900 C VAL A 123 3.977 -4.298 -8.000 1.00 0.00 C ATOM 1901 O VAL A 123 5.017 -4.667 -8.546 1.00 0.00 O ATOM 1902 CB VAL A 123 3.870 -5.459 -5.792 1.00 0.00 C ATOM 1903 CG1 VAL A 123 3.930 -4.150 -5.020 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.172 -6.536 -4.974 1.00 0.00 C ATOM 0 H VAL A 123 3.399 -7.331 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 123 2.171 -4.838 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 123 4.892 -5.786 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.435 -4.312 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.480 -3.410 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.918 -3.789 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.688 -6.661 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.139 -6.241 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.189 -7.478 -5.523 1.00 0.00 H new ATOM 1914 N PHE A 124 3.500 -3.062 -8.110 1.00 0.00 N ATOM 1915 CA PHE A 124 4.187 -2.046 -8.899 1.00 0.00 C ATOM 1916 C PHE A 124 3.514 -0.687 -8.740 1.00 0.00 C ATOM 1917 O PHE A 124 2.372 -0.596 -8.287 1.00 0.00 O ATOM 1918 CB PHE A 124 4.211 -2.447 -10.374 1.00 0.00 C ATOM 1919 CG PHE A 124 5.093 -1.575 -11.220 1.00 0.00 C ATOM 1920 CD1 PHE A 124 6.432 -1.884 -11.398 1.00 0.00 C ATOM 1921 CD2 PHE A 124 4.583 -0.444 -11.840 1.00 0.00 C ATOM 1922 CE1 PHE A 124 7.246 -1.083 -12.176 1.00 0.00 C ATOM 1923 CE2 PHE A 124 5.392 0.360 -12.620 1.00 0.00 C ATOM 1924 CZ PHE A 124 6.725 0.040 -12.788 1.00 0.00 C ATOM 0 H PHE A 124 2.641 -2.740 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 124 5.211 -1.969 -8.534 1.00 0.00 H new ATOM 0 HB2 PHE A 124 4.550 -3.480 -10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 124 3.195 -2.413 -10.768 1.00 0.00 H new ATOM 0 HD1 PHE A 124 6.845 -2.762 -10.923 1.00 0.00 H new ATOM 0 HD2 PHE A 124 3.541 -0.189 -11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 124 8.288 -1.335 -12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 124 4.982 1.238 -13.098 1.00 0.00 H new ATOM 0 HZ PHE A 124 7.359 0.667 -13.397 1.00 0.00 H new ATOM 1934 N VAL A 125 4.227 0.369 -9.119 1.00 0.00 N ATOM 1935 CA VAL A 125 3.699 1.724 -9.020 1.00 0.00 C ATOM 1936 C VAL A 125 4.291 2.622 -10.101 1.00 0.00 C ATOM 1937 O VAL A 125 5.508 2.677 -10.280 1.00 0.00 O ATOM 1938 CB VAL A 125 3.987 2.340 -7.635 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.486 2.452 -7.397 1.00 0.00 C ATOM 1940 CG2 VAL A 125 3.314 3.698 -7.502 1.00 0.00 C ATOM 0 H VAL A 125 5.172 0.312 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 125 2.620 1.657 -9.159 1.00 0.00 H new ATOM 0 HB VAL A 125 3.572 1.680 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.667 2.889 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.937 1.461 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.930 3.087 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.529 4.116 -6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.694 4.369 -8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.236 3.583 -7.620 1.00 0.00 H new ATOM 1950 N ASP A 126 3.422 3.325 -10.822 1.00 0.00 N ATOM 1951 CA ASP A 126 3.862 4.220 -11.887 1.00 0.00 C ATOM 1952 C ASP A 126 3.440 5.657 -11.602 1.00 0.00 C ATOM 1953 O ASP A 126 2.786 5.936 -10.596 1.00 0.00 O ATOM 1954 CB ASP A 126 3.292 3.765 -13.233 1.00 0.00 C ATOM 1955 CG ASP A 126 4.309 3.861 -14.353 1.00 0.00 C ATOM 1956 OD1 ASP A 126 5.207 4.726 -14.267 1.00 0.00 O ATOM 1957 OD2 ASP A 126 4.209 3.073 -15.315 1.00 0.00 O ATOM 0 H ASP A 126 2.411 3.292 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 126 4.951 4.183 -11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 126 2.945 2.735 -13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 126 2.423 4.375 -13.481 1.00 0.00 H new ATOM 1962 N SER A 127 3.816 6.568 -12.495 1.00 0.00 N ATOM 1963 CA SER A 127 3.476 7.978 -12.339 1.00 0.00 C ATOM 1964 C SER A 127 2.066 8.255 -12.851 1.00 0.00 C ATOM 1965 O SER A 127 1.784 8.102 -14.040 1.00 0.00 O ATOM 1966 CB SER A 127 4.485 8.852 -13.085 1.00 0.00 C ATOM 1967 OG SER A 127 5.783 8.716 -12.535 1.00 0.00 O ATOM 0 H SER A 127 4.356 6.355 -13.334 1.00 0.00 H new ATOM 0 HA SER A 127 3.512 8.222 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.502 8.574 -14.139 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.173 9.895 -13.036 1.00 0.00 H new ATOM 0 HG SER A 127 6.409 9.284 -13.031 1.00 0.00 H new