USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 798 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 86 MET CE :methyl -127:sc= 0 (180deg=-0.139) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 84 SER OG : rot 88:sc= 0.00777 USER MOD Set 2.2: A 97 SER OG : rot 80:sc= 0.254 USER MOD Set 3.1: A 67 THR OG1 : rot 180:sc= -0.378! USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 52 THR OG1 : rot 30:sc= -0.42 USER MOD Set 4.2: A 58 THR OG1 : rot -102:sc= 0.00707 USER MOD Set 5.1: A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.16) USER MOD Set 5.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 41 THR OG1 : rot 92:sc= 0.394 USER MOD Set 6.2: A 43 SER OG : rot 180:sc= 0.38 USER MOD Set 7.1: A 10 MET CE :methyl -150:sc= -0.359 (180deg=-1.03) USER MOD Set 7.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 24 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 9 MET CE :methyl -178:sc= -2.63 (180deg=-2.76) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.93! K(o=-2.9!,f=-0.043) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-4.8) USER MOD Single : A 38 GLN : amide:sc= -2.79! K(o=-2.8!,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 53 ASN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00181) USER MOD Single : A 62 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.48) USER MOD Single : A 64 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.57) USER MOD Single : A 66 THR OG1 : rot 41:sc= 1.19 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.037) USER MOD Single : A 79 THR OG1 : rot 76:sc= 0.948 USER MOD Single : A 81 TYR OH : rot 110:sc=-0.00395 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 80:sc= -0.737 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -155:sc= -0.0669 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.966 -3.086 10.416 1.00 0.00 N ATOM 81 CA MET A 9 13.304 -1.826 10.100 1.00 0.00 C ATOM 82 C MET A 9 11.804 -1.920 10.358 1.00 0.00 C ATOM 83 O MET A 9 11.191 -2.964 10.137 1.00 0.00 O ATOM 84 CB MET A 9 13.559 -1.443 8.641 1.00 0.00 C ATOM 85 CG MET A 9 14.937 -0.849 8.400 1.00 0.00 C ATOM 86 SD MET A 9 15.346 -0.730 6.648 1.00 0.00 S ATOM 87 CE MET A 9 14.284 0.621 6.143 1.00 0.00 C ATOM 0 HA MET A 9 13.719 -1.054 10.749 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.439 -2.328 8.016 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.803 -0.725 8.325 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.984 0.143 8.848 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.685 -1.462 8.903 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.397 0.792 5.072 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.246 0.370 6.363 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.562 1.525 6.686 1.00 0.00 H new ATOM 97 N MET A 10 11.219 -0.823 10.828 1.00 0.00 N ATOM 98 CA MET A 10 9.790 -0.783 11.116 1.00 0.00 C ATOM 99 C MET A 10 9.004 -0.302 9.900 1.00 0.00 C ATOM 100 O MET A 10 9.455 0.554 9.138 1.00 0.00 O ATOM 101 CB MET A 10 9.514 0.131 12.311 1.00 0.00 C ATOM 102 CG MET A 10 9.701 1.607 12.003 1.00 0.00 C ATOM 103 SD MET A 10 11.375 2.182 12.348 1.00 0.00 S ATOM 104 CE MET A 10 11.968 2.509 10.690 1.00 0.00 C ATOM 0 H MET A 10 11.712 0.050 11.017 1.00 0.00 H new ATOM 0 HA MET A 10 9.465 -1.795 11.360 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.493 -0.033 12.655 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.176 -0.147 13.131 1.00 0.00 H new ATOM 0 HG2 MET A 10 9.468 1.788 10.954 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.992 2.190 12.592 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.046 2.350 10.651 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.476 1.835 9.988 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.743 3.541 10.420 1.00 0.00 H new ATOM 114 N PRO A 11 7.800 -0.862 9.713 1.00 0.00 N ATOM 115 CA PRO A 11 6.926 -0.504 8.591 1.00 0.00 C ATOM 116 C PRO A 11 6.358 0.905 8.725 1.00 0.00 C ATOM 117 O PRO A 11 6.456 1.542 9.774 1.00 0.00 O ATOM 118 CB PRO A 11 5.805 -1.543 8.670 1.00 0.00 C ATOM 119 CG PRO A 11 5.776 -1.962 10.099 1.00 0.00 C ATOM 120 CD PRO A 11 7.198 -1.888 10.581 1.00 0.00 C ATOM 0 HA PRO A 11 7.461 -0.505 7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.849 -1.118 8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.003 -2.390 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.131 -1.307 10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.381 -2.973 10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.252 -1.606 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.706 -2.847 10.482 1.00 0.00 H new ATOM 128 N PRO A 12 5.750 1.404 7.639 1.00 0.00 N ATOM 129 CA PRO A 12 5.153 2.743 7.612 1.00 0.00 C ATOM 130 C PRO A 12 3.901 2.837 8.477 1.00 0.00 C ATOM 131 O PRO A 12 3.471 1.850 9.074 1.00 0.00 O ATOM 132 CB PRO A 12 4.799 2.943 6.136 1.00 0.00 C ATOM 133 CG PRO A 12 4.627 1.565 5.597 1.00 0.00 C ATOM 134 CD PRO A 12 5.597 0.700 6.355 1.00 0.00 C ATOM 0 HA PRO A 12 5.830 3.499 8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.887 3.529 6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.588 3.479 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.603 1.217 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.832 1.536 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.211 -0.310 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.548 0.609 5.831 1.00 0.00 H new ATOM 142 N VAL A 13 3.320 4.031 8.541 1.00 0.00 N ATOM 143 CA VAL A 13 2.116 4.254 9.332 1.00 0.00 C ATOM 144 C VAL A 13 1.130 5.151 8.592 1.00 0.00 C ATOM 145 O VAL A 13 1.370 5.548 7.453 1.00 0.00 O ATOM 146 CB VAL A 13 2.450 4.891 10.694 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.303 3.948 11.530 1.00 0.00 C ATOM 148 CG2 VAL A 13 3.150 6.227 10.500 1.00 0.00 C ATOM 0 H VAL A 13 3.664 4.859 8.054 1.00 0.00 H new ATOM 0 HA VAL A 13 1.660 3.278 9.497 1.00 0.00 H new ATOM 0 HB VAL A 13 1.518 5.070 11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.529 4.415 12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.759 3.018 11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.233 3.734 11.003 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.378 6.663 11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.075 6.076 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.499 6.902 9.944 1.00 0.00 H new ATOM 158 N GLY A 14 0.018 5.468 9.249 1.00 0.00 N ATOM 159 CA GLY A 14 -0.988 6.317 8.639 1.00 0.00 C ATOM 160 C GLY A 14 -1.474 5.775 7.309 1.00 0.00 C ATOM 161 O GLY A 14 -1.974 6.525 6.470 1.00 0.00 O ATOM 0 H GLY A 14 -0.204 5.152 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.835 6.418 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.576 7.316 8.493 1.00 0.00 H new ATOM 165 N VAL A 15 -1.326 4.468 7.114 1.00 0.00 N ATOM 166 CA VAL A 15 -1.753 3.827 5.877 1.00 0.00 C ATOM 167 C VAL A 15 -3.271 3.855 5.738 1.00 0.00 C ATOM 168 O VAL A 15 -3.983 3.176 6.477 1.00 0.00 O ATOM 169 CB VAL A 15 -1.269 2.366 5.806 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.597 1.760 4.450 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.224 2.286 6.088 1.00 0.00 C ATOM 0 H VAL A 15 -0.913 3.833 7.797 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.306 4.391 5.058 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.792 1.790 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.248 0.728 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.675 1.783 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.103 2.334 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.549 1.247 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.766 2.875 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.428 2.679 7.084 1.00 0.00 H new ATOM 181 N GLN A 16 -3.759 4.645 4.787 1.00 0.00 N ATOM 182 CA GLN A 16 -5.193 4.761 4.553 1.00 0.00 C ATOM 183 C GLN A 16 -5.520 4.570 3.075 1.00 0.00 C ATOM 184 O GLN A 16 -4.624 4.500 2.235 1.00 0.00 O ATOM 185 CB GLN A 16 -5.699 6.124 5.027 1.00 0.00 C ATOM 186 CG GLN A 16 -5.504 6.362 6.515 1.00 0.00 C ATOM 187 CD GLN A 16 -5.363 7.832 6.858 1.00 0.00 C ATOM 188 OE1 GLN A 16 -4.423 8.234 7.544 1.00 0.00 O ATOM 189 NE2 GLN A 16 -6.300 8.643 6.382 1.00 0.00 N ATOM 0 H GLN A 16 -3.183 5.214 4.167 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.694 3.977 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.183 6.907 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.759 6.211 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.351 5.946 7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.615 5.828 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.062 8.267 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.258 9.643 6.581 1.00 0.00 H new ATOM 198 N ALA A 17 -6.810 4.485 2.766 1.00 0.00 N ATOM 199 CA ALA A 17 -7.255 4.303 1.390 1.00 0.00 C ATOM 200 C ALA A 17 -8.501 5.134 1.102 1.00 0.00 C ATOM 201 O ALA A 17 -9.582 4.848 1.618 1.00 0.00 O ATOM 202 CB ALA A 17 -7.524 2.831 1.112 1.00 0.00 C ATOM 0 H ALA A 17 -7.565 4.539 3.450 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.460 4.647 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.856 2.710 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.610 2.258 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.299 2.469 1.787 1.00 0.00 H new ATOM 208 N SER A 18 -8.343 6.163 0.276 1.00 0.00 N ATOM 209 CA SER A 18 -9.455 7.038 -0.077 1.00 0.00 C ATOM 210 C SER A 18 -9.967 6.727 -1.480 1.00 0.00 C ATOM 211 O SER A 18 -9.322 7.058 -2.475 1.00 0.00 O ATOM 212 CB SER A 18 -9.025 8.503 0.009 1.00 0.00 C ATOM 213 OG SER A 18 -9.249 9.026 1.307 1.00 0.00 O ATOM 0 H SER A 18 -7.456 6.411 -0.161 1.00 0.00 H new ATOM 0 HA SER A 18 -10.264 6.862 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.968 8.590 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.578 9.091 -0.724 1.00 0.00 H new ATOM 0 HG SER A 18 -8.964 9.963 1.336 1.00 0.00 H new ATOM 219 N ILE A 19 -11.130 6.088 -1.550 1.00 0.00 N ATOM 220 CA ILE A 19 -11.730 5.733 -2.831 1.00 0.00 C ATOM 221 C ILE A 19 -12.079 6.979 -3.638 1.00 0.00 C ATOM 222 O ILE A 19 -12.826 7.842 -3.176 1.00 0.00 O ATOM 223 CB ILE A 19 -13.001 4.885 -2.641 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.713 3.694 -1.725 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.526 4.410 -3.988 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.637 2.771 -2.253 1.00 0.00 C ATOM 0 H ILE A 19 -11.675 5.806 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.990 5.146 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.767 5.503 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.413 4.064 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.632 3.124 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.425 3.812 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.764 5.273 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.766 3.805 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.486 1.950 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.943 2.371 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.706 3.326 -2.368 1.00 0.00 H new ATOM 238 N LEU A 20 -11.535 7.065 -4.847 1.00 0.00 N ATOM 239 CA LEU A 20 -11.791 8.204 -5.722 1.00 0.00 C ATOM 240 C LEU A 20 -12.749 7.824 -6.846 1.00 0.00 C ATOM 241 O LEU A 20 -13.708 8.542 -7.127 1.00 0.00 O ATOM 242 CB LEU A 20 -10.478 8.726 -6.309 1.00 0.00 C ATOM 243 CG LEU A 20 -9.397 9.112 -5.299 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.043 9.225 -5.983 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.757 10.417 -4.605 1.00 0.00 C ATOM 0 H LEU A 20 -10.914 6.360 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.254 8.991 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.071 7.963 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.700 9.598 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.335 8.328 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.286 9.500 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.781 8.267 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.090 9.989 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.976 10.676 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.848 11.211 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.705 10.301 -4.081 1.00 0.00 H new ATOM 257 N SER A 21 -12.483 6.689 -7.484 1.00 0.00 N ATOM 258 CA SER A 21 -13.320 6.213 -8.579 1.00 0.00 C ATOM 259 C SER A 21 -13.568 4.712 -8.461 1.00 0.00 C ATOM 260 O SER A 21 -13.071 4.060 -7.543 1.00 0.00 O ATOM 261 CB SER A 21 -12.665 6.529 -9.925 1.00 0.00 C ATOM 262 OG SER A 21 -12.249 7.883 -9.985 1.00 0.00 O ATOM 0 H SER A 21 -11.694 6.082 -7.261 1.00 0.00 H new ATOM 0 HA SER A 21 -14.279 6.728 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.807 5.875 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.369 6.325 -10.732 1.00 0.00 H new ATOM 0 HG SER A 21 -11.832 8.059 -10.854 1.00 0.00 H new ATOM 268 N HIS A 22 -14.339 4.171 -9.399 1.00 0.00 N ATOM 269 CA HIS A 22 -14.654 2.746 -9.402 1.00 0.00 C ATOM 270 C HIS A 22 -13.405 1.915 -9.679 1.00 0.00 C ATOM 271 O HIS A 22 -13.339 0.738 -9.324 1.00 0.00 O ATOM 272 CB HIS A 22 -15.726 2.441 -10.447 1.00 0.00 C ATOM 273 CG HIS A 22 -15.388 2.945 -11.817 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.504 4.269 -12.182 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.932 2.293 -12.912 1.00 0.00 C ATOM 276 CE1 HIS A 22 -15.137 4.410 -13.443 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.784 3.226 -13.909 1.00 0.00 N ATOM 0 H HIS A 22 -14.757 4.697 -10.166 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.034 2.481 -8.416 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.880 1.363 -10.493 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.669 2.885 -10.128 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.723 1.236 -12.988 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -15.127 5.336 -13.998 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.455 3.035 -14.855 1.00 0.00 H new ATOM 286 N ASP A 23 -12.417 2.535 -10.316 1.00 0.00 N ATOM 287 CA ASP A 23 -11.170 1.852 -10.641 1.00 0.00 C ATOM 288 C ASP A 23 -9.966 2.696 -10.232 1.00 0.00 C ATOM 289 O ASP A 23 -8.879 2.560 -10.793 1.00 0.00 O ATOM 290 CB ASP A 23 -11.107 1.544 -12.137 1.00 0.00 C ATOM 291 CG ASP A 23 -11.034 2.799 -12.985 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.685 3.800 -12.619 1.00 0.00 O ATOM 293 OD2 ASP A 23 -10.327 2.780 -14.014 1.00 0.00 O ATOM 0 H ASP A 23 -12.456 3.509 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.142 0.916 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.236 0.921 -12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.986 0.966 -12.423 1.00 0.00 H new ATOM 298 N THR A 24 -10.168 3.570 -9.250 1.00 0.00 N ATOM 299 CA THR A 24 -9.101 4.437 -8.768 1.00 0.00 C ATOM 300 C THR A 24 -9.069 4.474 -7.244 1.00 0.00 C ATOM 301 O THR A 24 -10.112 4.440 -6.591 1.00 0.00 O ATOM 302 CB THR A 24 -9.260 5.873 -9.301 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.444 5.851 -10.721 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.043 6.717 -8.955 1.00 0.00 C ATOM 0 H THR A 24 -11.061 3.695 -8.774 1.00 0.00 H new ATOM 0 HA THR A 24 -8.164 4.021 -9.139 1.00 0.00 H new ATOM 0 HB THR A 24 -10.136 6.317 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.546 6.768 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.179 7.727 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.923 6.756 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.154 6.274 -9.403 1.00 0.00 H new ATOM 312 N ILE A 25 -7.866 4.544 -6.684 1.00 0.00 N ATOM 313 CA ILE A 25 -7.700 4.587 -5.237 1.00 0.00 C ATOM 314 C ILE A 25 -6.434 5.346 -4.851 1.00 0.00 C ATOM 315 O ILE A 25 -5.401 5.224 -5.509 1.00 0.00 O ATOM 316 CB ILE A 25 -7.639 3.171 -4.634 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.018 2.510 -4.688 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.126 3.225 -3.203 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.044 1.118 -4.097 1.00 0.00 C ATOM 0 H ILE A 25 -6.993 4.572 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.570 5.107 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.946 2.571 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.733 3.136 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.349 2.462 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.089 2.216 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.126 3.659 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.795 3.839 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.053 0.711 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.354 0.477 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.744 1.162 -3.050 1.00 0.00 H new ATOM 331 N ARG A 26 -6.523 6.128 -3.780 1.00 0.00 N ATOM 332 CA ARG A 26 -5.385 6.906 -3.307 1.00 0.00 C ATOM 333 C ARG A 26 -4.787 6.284 -2.048 1.00 0.00 C ATOM 334 O ARG A 26 -5.490 6.052 -1.065 1.00 0.00 O ATOM 335 CB ARG A 26 -5.809 8.349 -3.023 1.00 0.00 C ATOM 336 CG ARG A 26 -4.694 9.362 -3.222 1.00 0.00 C ATOM 337 CD ARG A 26 -5.037 10.700 -2.587 1.00 0.00 C ATOM 338 NE ARG A 26 -4.219 11.785 -3.121 1.00 0.00 N ATOM 339 CZ ARG A 26 -4.468 12.395 -4.274 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.507 12.028 -5.011 1.00 0.00 N ATOM 341 NH2 ARG A 26 -3.677 13.374 -4.693 1.00 0.00 N ATOM 0 H ARG A 26 -7.371 6.239 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.626 6.904 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.644 8.608 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.171 8.417 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.771 8.978 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.512 9.500 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.090 10.923 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.895 10.636 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.412 12.091 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.118 11.275 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.696 12.498 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.876 13.659 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.870 13.842 -5.579 1.00 0.00 H new ATOM 355 N ILE A 27 -3.486 6.017 -2.088 1.00 0.00 N ATOM 356 CA ILE A 27 -2.793 5.423 -0.951 1.00 0.00 C ATOM 357 C ILE A 27 -1.712 6.356 -0.417 1.00 0.00 C ATOM 358 O ILE A 27 -0.722 6.631 -1.097 1.00 0.00 O ATOM 359 CB ILE A 27 -2.152 4.073 -1.326 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.142 3.216 -2.117 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.691 3.341 -0.074 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.219 2.589 -1.260 1.00 0.00 C ATOM 0 H ILE A 27 -2.891 6.202 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.541 5.258 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.282 4.262 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.612 3.832 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.595 2.427 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.240 2.389 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.956 3.949 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.546 3.160 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.884 1.996 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.759 1.946 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.791 3.373 -0.764 1.00 0.00 H new ATOM 374 N THR A 28 -1.906 6.838 0.806 1.00 0.00 N ATOM 375 CA THR A 28 -0.948 7.740 1.433 1.00 0.00 C ATOM 376 C THR A 28 -0.559 7.249 2.823 1.00 0.00 C ATOM 377 O THR A 28 -1.404 6.780 3.585 1.00 0.00 O ATOM 378 CB THR A 28 -1.511 9.169 1.545 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.533 9.216 2.546 1.00 0.00 O ATOM 380 CG2 THR A 28 -2.078 9.633 0.211 1.00 0.00 C ATOM 0 H THR A 28 -2.718 6.619 1.383 1.00 0.00 H new ATOM 0 HA THR A 28 -0.064 7.755 0.795 1.00 0.00 H new ATOM 0 HB THR A 28 -0.696 9.836 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.884 10.128 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.470 10.645 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.290 9.624 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.881 8.963 -0.096 1.00 0.00 H new ATOM 388 N TRP A 29 0.724 7.361 3.147 1.00 0.00 N ATOM 389 CA TRP A 29 1.225 6.928 4.447 1.00 0.00 C ATOM 390 C TRP A 29 2.241 7.923 4.997 1.00 0.00 C ATOM 391 O TRP A 29 2.653 8.851 4.303 1.00 0.00 O ATOM 392 CB TRP A 29 1.858 5.540 4.337 1.00 0.00 C ATOM 393 CG TRP A 29 2.981 5.477 3.347 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.305 5.705 3.593 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.878 5.167 1.952 1.00 0.00 C ATOM 396 NE1 TRP A 29 5.031 5.555 2.436 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.180 5.225 1.416 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.814 4.845 1.106 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.442 4.973 0.072 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.076 4.596 -0.228 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.381 4.660 -0.734 1.00 0.00 C ATOM 0 H TRP A 29 1.436 7.748 2.528 1.00 0.00 H new ATOM 0 HA TRP A 29 0.382 6.880 5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.229 5.239 5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.091 4.820 4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.720 5.965 4.555 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.041 5.671 2.351 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.805 4.792 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.447 5.023 -0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.261 4.348 -0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.553 4.458 -1.781 1.00 0.00 H new ATOM 412 N ALA A 30 2.643 7.721 6.248 1.00 0.00 N ATOM 413 CA ALA A 30 3.613 8.599 6.889 1.00 0.00 C ATOM 414 C ALA A 30 4.850 7.822 7.329 1.00 0.00 C ATOM 415 O ALA A 30 4.803 6.603 7.493 1.00 0.00 O ATOM 416 CB ALA A 30 2.981 9.305 8.079 1.00 0.00 C ATOM 0 H ALA A 30 2.312 6.957 6.837 1.00 0.00 H new ATOM 0 HA ALA A 30 3.925 9.347 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.717 9.958 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.132 9.900 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.640 8.564 8.802 1.00 0.00 H new ATOM 422 N ASP A 31 5.955 8.535 7.518 1.00 0.00 N ATOM 423 CA ASP A 31 7.204 7.912 7.939 1.00 0.00 C ATOM 424 C ASP A 31 7.649 8.450 9.295 1.00 0.00 C ATOM 425 O ASP A 31 7.397 9.608 9.628 1.00 0.00 O ATOM 426 CB ASP A 31 8.296 8.155 6.896 1.00 0.00 C ATOM 427 CG ASP A 31 8.681 9.618 6.791 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.039 10.345 6.005 1.00 0.00 O ATOM 429 OD2 ASP A 31 9.626 10.035 7.493 1.00 0.00 O ATOM 0 H ASP A 31 6.011 9.545 7.386 1.00 0.00 H new ATOM 0 HA ASP A 31 7.034 6.839 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.178 7.568 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.951 7.802 5.924 1.00 0.00 H new ATOM 434 N ASN A 32 8.312 7.602 10.074 1.00 0.00 N ATOM 435 CA ASN A 32 8.791 7.992 11.395 1.00 0.00 C ATOM 436 C ASN A 32 10.315 7.945 11.457 1.00 0.00 C ATOM 437 O ASN A 32 10.898 7.771 12.527 1.00 0.00 O ATOM 438 CB ASN A 32 8.198 7.074 12.467 1.00 0.00 C ATOM 439 CG ASN A 32 6.726 7.346 12.710 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.317 7.653 13.830 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.922 7.235 11.659 1.00 0.00 N ATOM 0 H ASN A 32 8.530 6.640 9.813 1.00 0.00 H new ATOM 0 HA ASN A 32 8.468 9.016 11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.328 6.035 12.164 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.748 7.205 13.399 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.922 7.407 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.305 6.978 10.749 1.00 0.00 H new ATOM 448 N SER A 33 10.953 8.103 10.302 1.00 0.00 N ATOM 449 CA SER A 33 12.409 8.076 10.224 1.00 0.00 C ATOM 450 C SER A 33 12.957 9.444 9.828 1.00 0.00 C ATOM 451 O SER A 33 13.751 10.042 10.555 1.00 0.00 O ATOM 452 CB SER A 33 12.867 7.019 9.217 1.00 0.00 C ATOM 453 OG SER A 33 13.044 5.761 9.843 1.00 0.00 O ATOM 0 H SER A 33 10.485 8.251 9.408 1.00 0.00 H new ATOM 0 HA SER A 33 12.797 7.820 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.131 6.931 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.803 7.334 8.755 1.00 0.00 H new ATOM 0 HG SER A 33 13.335 5.103 9.178 1.00 0.00 H new ATOM 459 N LEU A 34 12.528 9.933 8.669 1.00 0.00 N ATOM 460 CA LEU A 34 12.975 11.230 8.174 1.00 0.00 C ATOM 461 C LEU A 34 13.058 12.247 9.309 1.00 0.00 C ATOM 462 O LEU A 34 12.257 12.236 10.244 1.00 0.00 O ATOM 463 CB LEU A 34 12.026 11.738 7.088 1.00 0.00 C ATOM 464 CG LEU A 34 11.833 10.818 5.881 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.756 11.367 4.958 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.144 10.644 5.129 1.00 0.00 C ATOM 0 H LEU A 34 11.871 9.451 8.055 1.00 0.00 H new ATOM 0 HA LEU A 34 13.971 11.105 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.051 11.919 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.395 12.699 6.731 1.00 0.00 H new ATOM 0 HG LEU A 34 11.511 9.841 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.633 10.699 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.814 11.440 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.049 12.356 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.988 9.987 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.496 11.615 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.889 10.205 5.793 1.00 0.00 H new ATOM 478 N PRO A 35 14.047 13.148 9.225 1.00 0.00 N ATOM 479 CA PRO A 35 14.257 14.190 10.234 1.00 0.00 C ATOM 480 C PRO A 35 13.159 15.248 10.212 1.00 0.00 C ATOM 481 O PRO A 35 12.121 15.067 9.575 1.00 0.00 O ATOM 482 CB PRO A 35 15.600 14.805 9.836 1.00 0.00 C ATOM 483 CG PRO A 35 15.721 14.538 8.375 1.00 0.00 C ATOM 484 CD PRO A 35 15.038 13.220 8.138 1.00 0.00 C ATOM 0 HA PRO A 35 14.242 13.786 11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.624 15.874 10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.422 14.353 10.391 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.252 15.331 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.767 14.496 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.562 13.185 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.742 12.389 8.181 1.00 0.00 H new ATOM 492 N LYS A 36 13.394 16.354 10.910 1.00 0.00 N ATOM 493 CA LYS A 36 12.426 17.443 10.970 1.00 0.00 C ATOM 494 C LYS A 36 11.946 17.820 9.572 1.00 0.00 C ATOM 495 O LYS A 36 10.872 18.401 9.409 1.00 0.00 O ATOM 496 CB LYS A 36 13.043 18.664 11.656 1.00 0.00 C ATOM 497 CG LYS A 36 14.319 19.154 10.994 1.00 0.00 C ATOM 498 CD LYS A 36 14.865 20.392 11.684 1.00 0.00 C ATOM 499 CE LYS A 36 14.154 21.652 11.213 1.00 0.00 C ATOM 500 NZ LYS A 36 14.811 22.885 11.729 1.00 0.00 N ATOM 0 H LYS A 36 14.248 16.520 11.443 1.00 0.00 H new ATOM 0 HA LYS A 36 11.568 17.103 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.313 19.474 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.255 18.417 12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.069 18.363 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.123 19.377 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.749 20.289 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.933 20.480 11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.141 21.676 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.116 21.628 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.297 23.722 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.801 22.875 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.794 22.921 11.393 1.00 0.00 H new ATOM 514 N HIS A 37 12.748 17.486 8.565 1.00 0.00 N ATOM 515 CA HIS A 37 12.403 17.789 7.181 1.00 0.00 C ATOM 516 C HIS A 37 12.158 16.508 6.389 1.00 0.00 C ATOM 517 O HIS A 37 13.100 15.808 6.018 1.00 0.00 O ATOM 518 CB HIS A 37 13.516 18.604 6.522 1.00 0.00 C ATOM 519 CG HIS A 37 14.830 17.887 6.465 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.290 17.248 5.333 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.785 17.712 7.408 1.00 0.00 C ATOM 522 CE1 HIS A 37 16.470 16.709 5.583 1.00 0.00 C ATOM 523 NE2 HIS A 37 16.793 16.977 6.835 1.00 0.00 N ATOM 0 H HIS A 37 13.640 17.006 8.682 1.00 0.00 H new ATOM 0 HA HIS A 37 11.485 18.376 7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.211 18.868 5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.644 19.538 7.070 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.759 18.082 8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.068 16.145 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.652 16.685 7.301 1.00 0.00 H new ATOM 532 N GLN A 38 10.889 16.208 6.136 1.00 0.00 N ATOM 533 CA GLN A 38 10.521 15.010 5.390 1.00 0.00 C ATOM 534 C GLN A 38 10.968 15.116 3.936 1.00 0.00 C ATOM 535 O GLN A 38 10.279 15.708 3.105 1.00 0.00 O ATOM 536 CB GLN A 38 9.010 14.785 5.457 1.00 0.00 C ATOM 537 CG GLN A 38 8.453 14.806 6.871 1.00 0.00 C ATOM 538 CD GLN A 38 7.260 13.888 7.042 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.222 14.291 7.568 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.400 12.644 6.598 1.00 0.00 N ATOM 0 H GLN A 38 10.098 16.778 6.436 1.00 0.00 H new ATOM 0 HA GLN A 38 11.027 14.159 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.510 15.554 4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.773 13.826 4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.236 14.512 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.162 15.825 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.278 12.352 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.630 11.981 6.687 1.00 0.00 H new ATOM 549 N LYS A 39 12.126 14.539 3.634 1.00 0.00 N ATOM 550 CA LYS A 39 12.666 14.567 2.280 1.00 0.00 C ATOM 551 C LYS A 39 13.360 13.251 1.944 1.00 0.00 C ATOM 552 O LYS A 39 14.371 12.899 2.553 1.00 0.00 O ATOM 553 CB LYS A 39 13.650 15.729 2.125 1.00 0.00 C ATOM 554 CG LYS A 39 12.989 17.035 1.718 1.00 0.00 C ATOM 555 CD LYS A 39 14.015 18.136 1.505 1.00 0.00 C ATOM 556 CE LYS A 39 13.347 19.464 1.184 1.00 0.00 C ATOM 557 NZ LYS A 39 14.318 20.594 1.212 1.00 0.00 N ATOM 0 H LYS A 39 12.709 14.046 4.310 1.00 0.00 H new ATOM 0 HA LYS A 39 11.836 14.707 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.177 15.876 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.399 15.463 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.419 16.885 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.280 17.341 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.628 18.242 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.685 17.858 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.883 19.408 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.549 19.653 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.824 21.482 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.743 20.663 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.066 20.427 0.509 1.00 0.00 H new ATOM 571 N ILE A 40 12.813 12.531 0.971 1.00 0.00 N ATOM 572 CA ILE A 40 13.382 11.255 0.552 1.00 0.00 C ATOM 573 C ILE A 40 14.567 11.463 -0.385 1.00 0.00 C ATOM 574 O ILE A 40 14.415 11.990 -1.488 1.00 0.00 O ATOM 575 CB ILE A 40 12.333 10.375 -0.151 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.064 10.278 0.698 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.901 8.990 -0.423 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.905 9.623 -0.020 1.00 0.00 C ATOM 0 H ILE A 40 11.977 12.809 0.458 1.00 0.00 H new ATOM 0 HA ILE A 40 13.721 10.748 1.455 1.00 0.00 H new ATOM 0 HB ILE A 40 12.075 10.835 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.285 9.714 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.768 11.280 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.148 8.379 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.779 9.076 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.184 8.521 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.040 9.588 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.657 10.199 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.182 8.609 -0.309 1.00 0.00 H new ATOM 590 N THR A 41 15.747 11.044 0.060 1.00 0.00 N ATOM 591 CA THR A 41 16.958 11.183 -0.739 1.00 0.00 C ATOM 592 C THR A 41 17.094 10.038 -1.736 1.00 0.00 C ATOM 593 O THR A 41 18.197 9.560 -2.001 1.00 0.00 O ATOM 594 CB THR A 41 18.216 11.227 0.149 1.00 0.00 C ATOM 595 OG1 THR A 41 18.321 10.017 0.909 1.00 0.00 O ATOM 596 CG2 THR A 41 18.171 12.421 1.091 1.00 0.00 C ATOM 0 H THR A 41 15.890 10.605 0.970 1.00 0.00 H new ATOM 0 HA THR A 41 16.872 12.125 -1.281 1.00 0.00 H new ATOM 0 HB THR A 41 19.088 11.327 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.861 9.366 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 41 19.069 12.432 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.119 13.341 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.292 12.346 1.731 1.00 0.00 H new ATOM 604 N ASP A 42 15.966 9.601 -2.286 1.00 0.00 N ATOM 605 CA ASP A 42 15.959 8.512 -3.256 1.00 0.00 C ATOM 606 C ASP A 42 16.868 7.374 -2.801 1.00 0.00 C ATOM 607 O ASP A 42 17.367 6.601 -3.619 1.00 0.00 O ATOM 608 CB ASP A 42 16.405 9.020 -4.628 1.00 0.00 C ATOM 609 CG ASP A 42 15.872 8.167 -5.762 1.00 0.00 C ATOM 610 OD1 ASP A 42 16.255 6.981 -5.843 1.00 0.00 O ATOM 611 OD2 ASP A 42 15.071 8.685 -6.568 1.00 0.00 O ATOM 0 H ASP A 42 15.044 9.985 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 42 14.940 8.132 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.066 10.048 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.494 9.036 -4.670 1.00 0.00 H new ATOM 616 N SER A 43 17.079 7.279 -1.492 1.00 0.00 N ATOM 617 CA SER A 43 17.932 6.239 -0.929 1.00 0.00 C ATOM 618 C SER A 43 17.119 4.991 -0.598 1.00 0.00 C ATOM 619 O SER A 43 17.658 3.885 -0.535 1.00 0.00 O ATOM 620 CB SER A 43 18.635 6.752 0.329 1.00 0.00 C ATOM 621 OG SER A 43 19.745 7.568 -0.004 1.00 0.00 O ATOM 0 H SER A 43 16.671 7.909 -0.802 1.00 0.00 H new ATOM 0 HA SER A 43 18.683 5.976 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.931 7.321 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.968 5.908 0.933 1.00 0.00 H new ATOM 0 HG SER A 43 20.176 7.885 0.817 1.00 0.00 H new ATOM 627 N ARG A 44 15.820 5.177 -0.388 1.00 0.00 N ATOM 628 CA ARG A 44 14.933 4.067 -0.063 1.00 0.00 C ATOM 629 C ARG A 44 13.813 3.946 -1.092 1.00 0.00 C ATOM 630 O ARG A 44 13.512 4.898 -1.812 1.00 0.00 O ATOM 631 CB ARG A 44 14.338 4.255 1.334 1.00 0.00 C ATOM 632 CG ARG A 44 13.279 5.343 1.403 1.00 0.00 C ATOM 633 CD ARG A 44 13.212 5.968 2.788 1.00 0.00 C ATOM 634 NE ARG A 44 14.167 7.063 2.941 1.00 0.00 N ATOM 635 CZ ARG A 44 14.398 7.682 4.093 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.747 7.314 5.189 1.00 0.00 N ATOM 637 NH2 ARG A 44 15.281 8.670 4.152 1.00 0.00 N ATOM 0 H ARG A 44 15.359 6.085 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 44 15.520 3.149 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.901 3.312 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.140 4.495 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.499 6.114 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.307 4.923 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.203 6.339 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.412 5.205 3.540 1.00 0.00 H new ATOM 0 HE ARG A 44 14.685 7.369 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.068 6.554 5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.926 7.791 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.784 8.955 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.457 9.144 5.038 1.00 0.00 H new ATOM 651 N TYR A 45 13.201 2.769 -1.157 1.00 0.00 N ATOM 652 CA TYR A 45 12.116 2.522 -2.100 1.00 0.00 C ATOM 653 C TYR A 45 10.964 1.785 -1.425 1.00 0.00 C ATOM 654 O TYR A 45 11.158 0.732 -0.816 1.00 0.00 O ATOM 655 CB TYR A 45 12.625 1.713 -3.294 1.00 0.00 C ATOM 656 CG TYR A 45 12.654 0.221 -3.046 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.707 -0.368 -2.356 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.629 -0.599 -3.502 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.738 -1.730 -2.128 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.652 -1.962 -3.276 1.00 0.00 C ATOM 661 CZ TYR A 45 12.708 -2.522 -2.589 1.00 0.00 C ATOM 662 OH TYR A 45 12.734 -3.880 -2.364 1.00 0.00 O ATOM 0 H TYR A 45 13.438 1.971 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 45 11.749 3.486 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.992 1.917 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.630 2.050 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.515 0.250 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.801 -0.164 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.565 -2.172 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.847 -2.585 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 45 11.934 -4.291 -2.752 1.00 0.00 H new ATOM 672 N TYR A 46 9.765 2.345 -1.538 1.00 0.00 N ATOM 673 CA TYR A 46 8.581 1.742 -0.938 1.00 0.00 C ATOM 674 C TYR A 46 7.911 0.774 -1.908 1.00 0.00 C ATOM 675 O TYR A 46 7.912 0.989 -3.120 1.00 0.00 O ATOM 676 CB TYR A 46 7.588 2.828 -0.517 1.00 0.00 C ATOM 677 CG TYR A 46 7.979 3.545 0.755 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.792 2.950 1.997 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.534 4.818 0.716 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.146 3.602 3.162 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.893 5.477 1.876 1.00 0.00 C ATOM 682 CZ TYR A 46 8.697 4.865 3.096 1.00 0.00 C ATOM 683 OH TYR A 46 9.052 5.518 4.254 1.00 0.00 O ATOM 0 H TYR A 46 9.587 3.215 -2.039 1.00 0.00 H new ATOM 0 HA TYR A 46 8.896 1.184 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.497 3.557 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.605 2.377 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.362 1.961 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.687 5.301 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.992 3.126 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.325 6.466 1.828 1.00 0.00 H new ATOM 0 HH TYR A 46 9.426 6.396 4.033 1.00 0.00 H new ATOM 693 N THR A 47 7.338 -0.296 -1.364 1.00 0.00 N ATOM 694 CA THR A 47 6.664 -1.299 -2.179 1.00 0.00 C ATOM 695 C THR A 47 5.231 -1.518 -1.709 1.00 0.00 C ATOM 696 O THR A 47 4.994 -1.894 -0.561 1.00 0.00 O ATOM 697 CB THR A 47 7.414 -2.644 -2.147 1.00 0.00 C ATOM 698 OG1 THR A 47 8.772 -2.458 -2.562 1.00 0.00 O ATOM 699 CG2 THR A 47 6.737 -3.663 -3.052 1.00 0.00 C ATOM 0 H THR A 47 7.328 -0.490 -0.363 1.00 0.00 H new ATOM 0 HA THR A 47 6.654 -0.921 -3.201 1.00 0.00 H new ATOM 0 HB THR A 47 7.395 -3.021 -1.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.242 -3.317 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.284 -4.605 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.713 -3.824 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.728 -3.291 -4.076 1.00 0.00 H new ATOM 707 N VAL A 48 4.277 -1.281 -2.603 1.00 0.00 N ATOM 708 CA VAL A 48 2.866 -1.454 -2.280 1.00 0.00 C ATOM 709 C VAL A 48 2.300 -2.707 -2.939 1.00 0.00 C ATOM 710 O VAL A 48 2.482 -2.927 -4.137 1.00 0.00 O ATOM 711 CB VAL A 48 2.035 -0.235 -2.723 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.597 -0.366 -2.244 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.661 1.052 -2.208 1.00 0.00 C ATOM 0 H VAL A 48 4.456 -0.968 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 48 2.800 -1.556 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 48 2.028 -0.199 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.025 0.504 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.154 -1.268 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.580 -0.428 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.061 1.903 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.700 1.027 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.671 1.149 -2.605 1.00 0.00 H new ATOM 723 N ARG A 49 1.614 -3.526 -2.149 1.00 0.00 N ATOM 724 CA ARG A 49 1.022 -4.758 -2.656 1.00 0.00 C ATOM 725 C ARG A 49 -0.501 -4.699 -2.586 1.00 0.00 C ATOM 726 O ARG A 49 -1.067 -3.962 -1.779 1.00 0.00 O ATOM 727 CB ARG A 49 1.533 -5.960 -1.860 1.00 0.00 C ATOM 728 CG ARG A 49 1.162 -5.917 -0.386 1.00 0.00 C ATOM 729 CD ARG A 49 1.021 -7.315 0.194 1.00 0.00 C ATOM 730 NE ARG A 49 0.694 -7.287 1.617 1.00 0.00 N ATOM 731 CZ ARG A 49 0.566 -8.378 2.364 1.00 0.00 C ATOM 732 NH1 ARG A 49 0.736 -9.578 1.825 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.267 -8.271 3.652 1.00 0.00 N ATOM 0 H ARG A 49 1.454 -3.359 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 49 1.317 -4.870 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.133 -6.873 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.618 -6.011 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.925 -5.368 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.225 -5.374 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.243 -7.855 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.951 -7.864 0.047 1.00 0.00 H new ATOM 0 HE ARG A 49 0.556 -6.380 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.966 -9.665 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.637 -10.414 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.135 -7.350 4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.169 -9.110 4.224 1.00 0.00 H new ATOM 747 N TRP A 50 -1.158 -5.479 -3.437 1.00 0.00 N ATOM 748 CA TRP A 50 -2.616 -5.514 -3.472 1.00 0.00 C ATOM 749 C TRP A 50 -3.113 -6.785 -4.151 1.00 0.00 C ATOM 750 O TRP A 50 -2.559 -7.220 -5.161 1.00 0.00 O ATOM 751 CB TRP A 50 -3.159 -4.285 -4.203 1.00 0.00 C ATOM 752 CG TRP A 50 -2.835 -4.273 -5.667 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.666 -4.624 -6.692 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.592 -3.892 -6.266 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.013 -4.485 -7.894 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.740 -4.036 -7.660 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.369 -3.442 -5.762 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.711 -3.747 -8.551 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.652 -3.156 -6.648 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.476 -3.308 -8.030 1.00 0.00 C ATOM 0 H TRP A 50 -0.705 -6.095 -4.112 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.980 -5.507 -2.445 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.241 -4.245 -4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.751 -3.386 -3.740 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.685 -4.961 -6.576 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.412 -4.684 -8.811 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.224 -3.320 -4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.844 -3.865 -9.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.602 -2.809 -6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.293 -3.074 -8.697 1.00 0.00 H new ATOM 771 N LYS A 51 -4.162 -7.378 -3.591 1.00 0.00 N ATOM 772 CA LYS A 51 -4.736 -8.600 -4.143 1.00 0.00 C ATOM 773 C LYS A 51 -6.241 -8.651 -3.902 1.00 0.00 C ATOM 774 O LYS A 51 -6.774 -7.913 -3.072 1.00 0.00 O ATOM 775 CB LYS A 51 -4.068 -9.828 -3.521 1.00 0.00 C ATOM 776 CG LYS A 51 -4.555 -10.140 -2.117 1.00 0.00 C ATOM 777 CD LYS A 51 -5.775 -11.046 -2.139 1.00 0.00 C ATOM 778 CE LYS A 51 -6.029 -11.672 -0.776 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.074 -10.649 0.305 1.00 0.00 N ATOM 0 H LYS A 51 -4.632 -7.032 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.557 -8.602 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.249 -10.692 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.990 -9.671 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.755 -10.618 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.799 -9.212 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.650 -10.473 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.633 -11.832 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.972 -12.219 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.245 -12.397 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.398 -11.092 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.124 -10.251 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.732 -9.889 0.037 1.00 0.00 H new ATOM 793 N THR A 52 -6.924 -9.528 -4.632 1.00 0.00 N ATOM 794 CA THR A 52 -8.367 -9.675 -4.498 1.00 0.00 C ATOM 795 C THR A 52 -8.718 -10.759 -3.485 1.00 0.00 C ATOM 796 O THR A 52 -8.284 -11.903 -3.611 1.00 0.00 O ATOM 797 CB THR A 52 -9.025 -10.018 -5.848 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.369 -11.144 -6.440 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.963 -8.831 -6.797 1.00 0.00 C ATOM 0 H THR A 52 -6.500 -10.147 -5.322 1.00 0.00 H new ATOM 0 HA THR A 52 -8.751 -8.717 -4.148 1.00 0.00 H new ATOM 0 HB THR A 52 -10.071 -10.262 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.013 -11.724 -5.734 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.434 -9.097 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.489 -7.984 -6.356 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.922 -8.560 -6.973 1.00 0.00 H new ATOM 807 N ASN A 53 -9.505 -10.391 -2.479 1.00 0.00 N ATOM 808 CA ASN A 53 -9.914 -11.333 -1.444 1.00 0.00 C ATOM 809 C ASN A 53 -10.657 -12.519 -2.051 1.00 0.00 C ATOM 810 O ASN A 53 -10.599 -13.633 -1.529 1.00 0.00 O ATOM 811 CB ASN A 53 -10.801 -10.635 -0.412 1.00 0.00 C ATOM 812 CG ASN A 53 -11.269 -11.577 0.681 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.425 -11.533 1.102 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.369 -12.436 1.146 1.00 0.00 N ATOM 0 H ASN A 53 -9.872 -9.447 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.016 -11.704 -0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.250 -9.808 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.668 -10.206 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.625 -13.095 1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.422 -12.437 0.767 1.00 0.00 H new ATOM 821 N ILE A 54 -11.353 -12.273 -3.155 1.00 0.00 N ATOM 822 CA ILE A 54 -12.105 -13.321 -3.833 1.00 0.00 C ATOM 823 C ILE A 54 -11.819 -13.321 -5.331 1.00 0.00 C ATOM 824 O ILE A 54 -11.985 -12.315 -6.021 1.00 0.00 O ATOM 825 CB ILE A 54 -13.621 -13.159 -3.612 1.00 0.00 C ATOM 826 CG1 ILE A 54 -13.979 -13.449 -2.153 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.393 -14.079 -4.546 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.350 -12.950 -1.757 1.00 0.00 C ATOM 0 H ILE A 54 -11.412 -11.357 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.782 -14.269 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.899 -12.129 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.929 -14.524 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.233 -12.988 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.463 -13.953 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.156 -13.829 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.114 -15.114 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.536 -13.190 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.398 -11.870 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.106 -13.430 -2.379 1.00 0.00 H new ATOM 840 N PRO A 55 -11.380 -14.478 -5.849 1.00 0.00 N ATOM 841 CA PRO A 55 -11.179 -15.683 -5.038 1.00 0.00 C ATOM 842 C PRO A 55 -9.997 -15.548 -4.085 1.00 0.00 C ATOM 843 O PRO A 55 -9.497 -14.448 -3.851 1.00 0.00 O ATOM 844 CB PRO A 55 -10.904 -16.770 -6.080 1.00 0.00 C ATOM 845 CG PRO A 55 -10.360 -16.037 -7.258 1.00 0.00 C ATOM 846 CD PRO A 55 -11.046 -14.699 -7.266 1.00 0.00 C ATOM 0 HA PRO A 55 -12.037 -15.893 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.190 -17.505 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.814 -17.312 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.279 -15.921 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.556 -16.582 -8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.394 -13.915 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.938 -14.709 -7.892 1.00 0.00 H new ATOM 854 N ALA A 56 -9.553 -16.675 -3.536 1.00 0.00 N ATOM 855 CA ALA A 56 -8.428 -16.682 -2.610 1.00 0.00 C ATOM 856 C ALA A 56 -7.160 -17.186 -3.290 1.00 0.00 C ATOM 857 O ALA A 56 -6.054 -16.771 -2.948 1.00 0.00 O ATOM 858 CB ALA A 56 -8.752 -17.538 -1.394 1.00 0.00 C ATOM 0 H ALA A 56 -9.956 -17.594 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.251 -15.657 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.903 -17.535 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.628 -17.133 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.957 -18.560 -1.713 1.00 0.00 H new ATOM 864 N ASN A 57 -7.328 -18.083 -4.256 1.00 0.00 N ATOM 865 CA ASN A 57 -6.196 -18.644 -4.984 1.00 0.00 C ATOM 866 C ASN A 57 -5.359 -17.540 -5.623 1.00 0.00 C ATOM 867 O ASN A 57 -4.139 -17.661 -5.744 1.00 0.00 O ATOM 868 CB ASN A 57 -6.686 -19.615 -6.061 1.00 0.00 C ATOM 869 CG ASN A 57 -5.586 -20.011 -7.027 1.00 0.00 C ATOM 870 OD1 ASN A 57 -4.526 -20.485 -6.617 1.00 0.00 O ATOM 871 ND2 ASN A 57 -5.833 -19.816 -8.317 1.00 0.00 N ATOM 0 H ASN A 57 -8.237 -18.437 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.571 -19.185 -4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.087 -20.510 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.504 -19.156 -6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.130 -20.062 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.726 -19.420 -8.611 1.00 0.00 H new ATOM 878 N THR A 58 -6.022 -16.462 -6.029 1.00 0.00 N ATOM 879 CA THR A 58 -5.340 -15.336 -6.656 1.00 0.00 C ATOM 880 C THR A 58 -3.982 -15.088 -6.009 1.00 0.00 C ATOM 881 O THR A 58 -3.813 -15.275 -4.804 1.00 0.00 O ATOM 882 CB THR A 58 -6.182 -14.050 -6.567 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.613 -13.838 -5.217 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.393 -14.130 -7.484 1.00 0.00 C ATOM 0 H THR A 58 -7.031 -16.345 -5.935 1.00 0.00 H new ATOM 0 HA THR A 58 -5.198 -15.596 -7.705 1.00 0.00 H new ATOM 0 HB THR A 58 -5.560 -13.213 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.550 -14.110 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.972 -13.210 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.061 -14.261 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.015 -14.977 -7.193 1.00 0.00 H new ATOM 892 N LYS A 59 -3.017 -14.663 -6.817 1.00 0.00 N ATOM 893 CA LYS A 59 -1.673 -14.386 -6.324 1.00 0.00 C ATOM 894 C LYS A 59 -1.567 -12.955 -5.808 1.00 0.00 C ATOM 895 O LYS A 59 -2.473 -12.145 -6.004 1.00 0.00 O ATOM 896 CB LYS A 59 -0.643 -14.617 -7.433 1.00 0.00 C ATOM 897 CG LYS A 59 -0.623 -13.519 -8.483 1.00 0.00 C ATOM 898 CD LYS A 59 0.770 -13.321 -9.056 1.00 0.00 C ATOM 899 CE LYS A 59 0.950 -11.916 -9.610 1.00 0.00 C ATOM 900 NZ LYS A 59 2.063 -11.847 -10.597 1.00 0.00 N ATOM 0 H LYS A 59 -3.141 -14.503 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.468 -15.067 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.348 -14.699 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.853 -15.570 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.316 -13.770 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.972 -12.586 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.513 -13.505 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.947 -14.050 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.024 -11.591 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.148 -11.225 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.153 -10.873 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.952 -12.133 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.862 -12.487 -11.392 1.00 0.00 H new ATOM 914 N TYR A 60 -0.455 -12.649 -5.148 1.00 0.00 N ATOM 915 CA TYR A 60 -0.232 -11.316 -4.603 1.00 0.00 C ATOM 916 C TYR A 60 0.613 -10.473 -5.554 1.00 0.00 C ATOM 917 O TYR A 60 1.598 -10.950 -6.118 1.00 0.00 O ATOM 918 CB TYR A 60 0.454 -11.408 -3.239 1.00 0.00 C ATOM 919 CG TYR A 60 -0.510 -11.560 -2.085 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.061 -12.797 -1.772 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.870 -10.467 -1.306 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.943 -12.941 -0.719 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.751 -10.602 -0.250 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.285 -11.840 0.039 1.00 0.00 C ATOM 925 OH TYR A 60 -3.162 -11.979 1.090 1.00 0.00 O ATOM 0 H TYR A 60 0.306 -13.307 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.202 -10.833 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.139 -12.256 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.056 -10.512 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.795 -13.661 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.454 -9.496 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.362 -13.910 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.020 -9.742 0.346 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.296 -11.109 1.521 1.00 0.00 H new ATOM 935 N LYS A 61 0.220 -9.215 -5.726 1.00 0.00 N ATOM 936 CA LYS A 61 0.939 -8.302 -6.607 1.00 0.00 C ATOM 937 C LYS A 61 1.633 -7.207 -5.804 1.00 0.00 C ATOM 938 O LYS A 61 1.232 -6.897 -4.683 1.00 0.00 O ATOM 939 CB LYS A 61 -0.021 -7.676 -7.621 1.00 0.00 C ATOM 940 CG LYS A 61 -0.257 -8.540 -8.848 1.00 0.00 C ATOM 941 CD LYS A 61 -0.984 -7.771 -9.939 1.00 0.00 C ATOM 942 CE LYS A 61 -0.770 -8.406 -11.304 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.686 -9.558 -11.530 1.00 0.00 N ATOM 0 H LYS A 61 -0.593 -8.805 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 61 1.698 -8.874 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.977 -7.483 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.376 -6.711 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.698 -8.900 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.840 -9.418 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.050 -7.739 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.631 -6.740 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.928 -7.658 -12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.263 -8.741 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.497 -9.974 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.530 -10.276 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.672 -9.230 -11.490 1.00 0.00 H new ATOM 957 N ASN A 62 2.675 -6.622 -6.387 1.00 0.00 N ATOM 958 CA ASN A 62 3.424 -5.559 -5.725 1.00 0.00 C ATOM 959 C ASN A 62 4.054 -4.620 -6.749 1.00 0.00 C ATOM 960 O ASN A 62 4.446 -5.043 -7.836 1.00 0.00 O ATOM 961 CB ASN A 62 4.509 -6.155 -4.827 1.00 0.00 C ATOM 962 CG ASN A 62 5.313 -7.233 -5.529 1.00 0.00 C ATOM 963 OD1 ASN A 62 5.977 -6.973 -6.532 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.257 -8.450 -5.002 1.00 0.00 N ATOM 0 H ASN A 62 3.020 -6.866 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 62 2.729 -4.986 -5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.180 -5.362 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.047 -6.574 -3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.778 -9.216 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.693 -8.620 -4.169 1.00 0.00 H new ATOM 971 N ALA A 63 4.148 -3.343 -6.393 1.00 0.00 N ATOM 972 CA ALA A 63 4.733 -2.344 -7.278 1.00 0.00 C ATOM 973 C ALA A 63 5.958 -1.696 -6.642 1.00 0.00 C ATOM 974 O ALA A 63 6.354 -2.052 -5.533 1.00 0.00 O ATOM 975 CB ALA A 63 3.700 -1.286 -7.636 1.00 0.00 C ATOM 0 H ALA A 63 3.826 -2.976 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 63 5.053 -2.847 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.151 -0.546 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.856 -1.757 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.352 -0.795 -6.727 1.00 0.00 H new ATOM 981 N ASN A 64 6.553 -0.743 -7.351 1.00 0.00 N ATOM 982 CA ASN A 64 7.734 -0.045 -6.856 1.00 0.00 C ATOM 983 C ASN A 64 7.617 1.458 -7.089 1.00 0.00 C ATOM 984 O ASN A 64 7.407 1.907 -8.215 1.00 0.00 O ATOM 985 CB ASN A 64 8.993 -0.582 -7.539 1.00 0.00 C ATOM 986 CG ASN A 64 8.827 -0.707 -9.041 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.130 -1.597 -9.528 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.469 0.188 -9.784 1.00 0.00 N ATOM 0 H ASN A 64 6.237 -0.436 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 64 7.807 -0.223 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.831 0.081 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.242 -1.558 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.395 0.154 -10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.036 0.909 -9.338 1.00 0.00 H new ATOM 995 N ALA A 65 7.754 2.230 -6.016 1.00 0.00 N ATOM 996 CA ALA A 65 7.666 3.683 -6.105 1.00 0.00 C ATOM 997 C ALA A 65 8.278 4.345 -4.875 1.00 0.00 C ATOM 998 O ALA A 65 7.896 4.050 -3.742 1.00 0.00 O ATOM 999 CB ALA A 65 6.217 4.114 -6.273 1.00 0.00 C ATOM 0 H ALA A 65 7.926 1.874 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 65 8.233 4.005 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.166 5.201 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.811 3.676 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.635 3.774 -5.417 1.00 0.00 H new ATOM 1005 N THR A 66 9.231 5.243 -5.105 1.00 0.00 N ATOM 1006 CA THR A 66 9.897 5.946 -4.016 1.00 0.00 C ATOM 1007 C THR A 66 9.160 7.232 -3.659 1.00 0.00 C ATOM 1008 O THR A 66 9.355 8.269 -4.294 1.00 0.00 O ATOM 1009 CB THR A 66 11.355 6.287 -4.377 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.387 7.181 -5.495 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.141 5.027 -4.706 1.00 0.00 C ATOM 0 H THR A 66 9.559 5.500 -6.036 1.00 0.00 H new ATOM 0 HA THR A 66 9.890 5.276 -3.156 1.00 0.00 H new ATOM 0 HB THR A 66 11.816 6.768 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.679 7.851 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.167 5.294 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.140 4.362 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.679 4.521 -5.554 1.00 0.00 H new ATOM 1019 N THR A 67 8.312 7.158 -2.638 1.00 0.00 N ATOM 1020 CA THR A 67 7.545 8.316 -2.196 1.00 0.00 C ATOM 1021 C THR A 67 6.745 7.998 -0.938 1.00 0.00 C ATOM 1022 O THR A 67 6.728 6.858 -0.472 1.00 0.00 O ATOM 1023 CB THR A 67 6.581 8.803 -3.295 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.687 9.786 -2.761 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.782 7.642 -3.868 1.00 0.00 C ATOM 0 H THR A 67 8.139 6.308 -2.102 1.00 0.00 H new ATOM 0 HA THR A 67 8.263 9.106 -1.976 1.00 0.00 H new ATOM 0 HB THR A 67 7.172 9.246 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.079 10.092 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.109 8.011 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.464 6.909 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.200 7.174 -3.074 1.00 0.00 H new ATOM 1033 N LEU A 68 6.082 9.012 -0.393 1.00 0.00 N ATOM 1034 CA LEU A 68 5.278 8.840 0.812 1.00 0.00 C ATOM 1035 C LEU A 68 3.809 8.627 0.461 1.00 0.00 C ATOM 1036 O LEU A 68 2.921 8.894 1.271 1.00 0.00 O ATOM 1037 CB LEU A 68 5.424 10.059 1.725 1.00 0.00 C ATOM 1038 CG LEU A 68 6.624 10.049 2.671 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.015 11.468 3.053 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.317 9.226 3.914 1.00 0.00 C ATOM 0 H LEU A 68 6.085 9.961 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 68 5.639 7.955 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.487 10.950 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.517 10.151 2.322 1.00 0.00 H new ATOM 0 HG LEU A 68 7.466 9.589 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.871 11.441 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.278 12.027 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.177 11.955 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.183 9.230 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.461 9.657 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.087 8.201 3.624 1.00 0.00 H new ATOM 1052 N SER A 69 3.560 8.142 -0.751 1.00 0.00 N ATOM 1053 CA SER A 69 2.198 7.894 -1.211 1.00 0.00 C ATOM 1054 C SER A 69 2.197 7.009 -2.453 1.00 0.00 C ATOM 1055 O SER A 69 3.245 6.538 -2.895 1.00 0.00 O ATOM 1056 CB SER A 69 1.490 9.216 -1.512 1.00 0.00 C ATOM 1057 OG SER A 69 2.231 9.992 -2.438 1.00 0.00 O ATOM 0 H SER A 69 4.283 7.913 -1.433 1.00 0.00 H new ATOM 0 HA SER A 69 1.661 7.376 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.496 9.017 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.354 9.778 -0.588 1.00 0.00 H new ATOM 0 HG SER A 69 1.757 10.831 -2.615 1.00 0.00 H new ATOM 1063 N TYR A 70 1.013 6.787 -3.012 1.00 0.00 N ATOM 1064 CA TYR A 70 0.873 5.957 -4.203 1.00 0.00 C ATOM 1065 C TYR A 70 -0.567 5.966 -4.708 1.00 0.00 C ATOM 1066 O TYR A 70 -1.514 5.940 -3.920 1.00 0.00 O ATOM 1067 CB TYR A 70 1.311 4.522 -3.904 1.00 0.00 C ATOM 1068 CG TYR A 70 1.417 3.652 -5.136 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.283 3.282 -5.848 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.651 3.200 -5.587 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.375 2.486 -6.974 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.752 2.405 -6.712 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.612 2.051 -7.402 1.00 0.00 C ATOM 1074 OH TYR A 70 1.709 1.259 -8.523 1.00 0.00 O ATOM 0 H TYR A 70 0.136 7.170 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 70 1.514 6.372 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.277 4.544 -3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.601 4.071 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.687 3.622 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.546 3.475 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.516 2.206 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.719 2.062 -7.049 1.00 0.00 H new ATOM 0 HH TYR A 70 2.650 1.041 -8.689 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.724 6.004 -6.026 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.048 6.016 -6.639 1.00 0.00 C ATOM 1086 C LEU A 71 -2.276 4.755 -7.467 1.00 0.00 C ATOM 1087 O LEU A 71 -1.719 4.605 -8.555 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.213 7.255 -7.520 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.651 7.689 -7.806 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.437 6.548 -8.433 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.327 8.168 -6.530 1.00 0.00 C ATOM 0 H LEU A 71 0.049 6.027 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.790 6.044 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.692 8.086 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.715 7.069 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.627 8.518 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.458 6.875 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.964 6.252 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.453 5.699 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.350 8.473 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.340 7.359 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.776 9.016 -6.123 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.101 3.852 -6.946 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.406 2.606 -7.638 1.00 0.00 C ATOM 1105 C VAL A 72 -4.626 2.762 -8.539 1.00 0.00 C ATOM 1106 O VAL A 72 -5.597 3.428 -8.178 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.659 1.458 -6.643 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.401 0.112 -7.303 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.794 1.628 -5.403 1.00 0.00 C ATOM 0 H VAL A 72 -3.570 3.961 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.536 2.362 -8.248 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.704 1.490 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.585 -0.687 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.067 -0.008 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.366 0.065 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.986 0.808 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.742 1.623 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.034 2.575 -4.919 1.00 0.00 H new ATOM 1119 N THR A 73 -4.572 2.142 -9.714 1.00 0.00 N ATOM 1120 CA THR A 73 -5.672 2.212 -10.667 1.00 0.00 C ATOM 1121 C THR A 73 -5.853 0.886 -11.396 1.00 0.00 C ATOM 1122 O THR A 73 -5.016 -0.009 -11.293 1.00 0.00 O ATOM 1123 CB THR A 73 -5.447 3.329 -11.704 1.00 0.00 C ATOM 1124 OG1 THR A 73 -4.116 3.251 -12.226 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.674 4.698 -11.082 1.00 0.00 C ATOM 0 H THR A 73 -3.777 1.585 -10.028 1.00 0.00 H new ATOM 0 HA THR A 73 -6.572 2.434 -10.094 1.00 0.00 H new ATOM 0 HB THR A 73 -6.163 3.193 -12.514 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.981 3.963 -12.886 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.509 5.471 -11.833 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.697 4.764 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.979 4.842 -10.255 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.952 0.767 -12.134 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.222 -0.454 -12.871 1.00 0.00 C ATOM 1135 C GLY A 74 -7.836 -1.533 -12.001 1.00 0.00 C ATOM 1136 O GLY A 74 -7.564 -2.720 -12.186 1.00 0.00 O ATOM 0 H GLY A 74 -7.660 1.494 -12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.895 -0.233 -13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.294 -0.826 -13.305 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.664 -1.121 -11.047 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.317 -2.061 -10.142 1.00 0.00 C ATOM 1142 C LEU A 75 -10.744 -2.351 -10.596 1.00 0.00 C ATOM 1143 O LEU A 75 -11.301 -1.634 -11.428 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.325 -1.506 -8.717 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.994 -0.956 -8.203 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.226 0.036 -7.075 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.092 -2.091 -7.740 1.00 0.00 C ATOM 0 H LEU A 75 -8.899 -0.143 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.754 -2.994 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.069 -0.711 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.653 -2.297 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.498 -0.434 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.267 0.417 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.834 0.865 -7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.743 -0.461 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.149 -1.682 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.582 -2.640 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.898 -2.765 -8.574 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.333 -3.405 -10.042 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.697 -3.789 -10.385 1.00 0.00 C ATOM 1161 C LYS A 76 -13.698 -3.160 -9.422 1.00 0.00 C ATOM 1162 O LYS A 76 -13.468 -3.077 -8.216 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.840 -5.313 -10.363 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.501 -5.975 -11.687 1.00 0.00 C ATOM 1165 CD LYS A 76 -11.004 -5.963 -11.949 1.00 0.00 C ATOM 1166 CE LYS A 76 -10.644 -6.802 -13.166 1.00 0.00 C ATOM 1167 NZ LYS A 76 -10.508 -8.245 -12.824 1.00 0.00 N ATOM 0 H LYS A 76 -10.886 -4.009 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.909 -3.424 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.191 -5.719 -9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.864 -5.570 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.863 -7.003 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.017 -5.458 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.668 -4.937 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.477 -6.344 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.411 -6.681 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.709 -6.440 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.262 -8.783 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.758 -8.364 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.408 -8.597 -12.440 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.838 -2.706 -9.965 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.898 -2.078 -9.171 1.00 0.00 C ATOM 1183 C PRO A 77 -16.612 -3.075 -8.265 1.00 0.00 C ATOM 1184 O PRO A 77 -16.613 -4.277 -8.529 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.860 -1.535 -10.231 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.635 -2.397 -11.425 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.179 -2.772 -11.396 1.00 0.00 C ATOM 0 HA PRO A 77 -15.506 -1.314 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.894 -1.590 -9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.653 -0.488 -10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.267 -3.284 -11.391 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.883 -1.864 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.013 -3.769 -11.803 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.575 -2.082 -11.985 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.218 -2.568 -7.196 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.935 -3.416 -6.251 1.00 0.00 C ATOM 1197 C ASN A 78 -17.121 -4.660 -5.909 1.00 0.00 C ATOM 1198 O ASN A 78 -17.604 -5.786 -6.034 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.293 -3.823 -6.828 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.231 -4.367 -5.768 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.786 -3.613 -4.968 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.414 -5.682 -5.758 1.00 0.00 N ATOM 0 H ASN A 78 -17.227 -1.575 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.093 -2.845 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.754 -2.960 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.145 -4.578 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.035 -6.105 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.934 -6.269 -6.440 1.00 0.00 H new ATOM 1209 N THR A 79 -15.882 -4.449 -5.476 1.00 0.00 N ATOM 1210 CA THR A 79 -15.000 -5.552 -5.116 1.00 0.00 C ATOM 1211 C THR A 79 -13.960 -5.113 -4.092 1.00 0.00 C ATOM 1212 O THR A 79 -13.092 -4.291 -4.387 1.00 0.00 O ATOM 1213 CB THR A 79 -14.279 -6.121 -6.352 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.202 -6.261 -7.437 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.648 -7.469 -6.039 1.00 0.00 C ATOM 0 H THR A 79 -15.467 -3.524 -5.366 1.00 0.00 H new ATOM 0 HA THR A 79 -15.628 -6.330 -4.681 1.00 0.00 H new ATOM 0 HB THR A 79 -13.489 -5.426 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.383 -5.381 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.145 -7.850 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.923 -7.353 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.423 -8.171 -5.732 1.00 0.00 H new ATOM 1223 N LEU A 80 -14.053 -5.666 -2.887 1.00 0.00 N ATOM 1224 CA LEU A 80 -13.119 -5.332 -1.818 1.00 0.00 C ATOM 1225 C LEU A 80 -11.681 -5.609 -2.245 1.00 0.00 C ATOM 1226 O LEU A 80 -11.383 -6.659 -2.815 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.451 -6.130 -0.556 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.389 -6.117 0.545 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.156 -4.700 1.044 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.800 -7.028 1.693 1.00 0.00 C ATOM 0 H LEU A 80 -14.766 -6.347 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.216 -4.268 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.382 -5.744 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.636 -7.165 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.455 -6.492 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.398 -4.710 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.817 -4.075 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.086 -4.298 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.033 -7.006 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.746 -6.683 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.916 -8.047 1.325 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.793 -4.662 -1.964 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.386 -4.804 -2.319 1.00 0.00 C ATOM 1244 C TYR A 81 -8.489 -4.515 -1.119 1.00 0.00 C ATOM 1245 O TYR A 81 -8.810 -3.675 -0.279 1.00 0.00 O ATOM 1246 CB TYR A 81 -9.032 -3.863 -3.472 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.258 -4.468 -4.839 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.316 -5.315 -5.410 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.413 -4.192 -5.561 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.518 -5.870 -6.658 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.624 -4.743 -6.809 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.674 -5.581 -7.354 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.879 -6.132 -8.599 1.00 0.00 O ATOM 0 H TYR A 81 -11.023 -3.788 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.220 -5.834 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.627 -2.954 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.986 -3.570 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.410 -5.543 -4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.159 -3.535 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.776 -6.527 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.528 -4.519 -7.356 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.597 -6.798 -8.548 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.364 -5.219 -1.047 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.420 -5.039 0.050 1.00 0.00 C ATOM 1265 C GLU A 82 -5.195 -4.255 -0.409 1.00 0.00 C ATOM 1266 O GLU A 82 -4.768 -4.366 -1.559 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.990 -6.397 0.610 1.00 0.00 C ATOM 1268 CG GLU A 82 -4.614 -6.381 1.254 1.00 0.00 C ATOM 1269 CD GLU A 82 -3.503 -6.669 0.262 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.631 -7.644 -0.507 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -2.505 -5.918 0.256 1.00 0.00 O ATOM 0 H GLU A 82 -7.084 -5.919 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.919 -4.472 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.723 -6.725 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.997 -7.131 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.443 -5.407 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.583 -7.121 2.054 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.634 -3.461 0.497 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.458 -2.656 0.185 1.00 0.00 C ATOM 1280 C PHE A 83 -2.519 -2.578 1.386 1.00 0.00 C ATOM 1281 O PHE A 83 -2.963 -2.529 2.533 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.877 -1.248 -0.242 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.795 -1.230 -1.430 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.284 -1.262 -2.717 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.169 -1.182 -1.259 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.128 -1.244 -3.812 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.017 -1.165 -2.350 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.496 -1.197 -3.629 1.00 0.00 C ATOM 0 H PHE A 83 -4.974 -3.358 1.453 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.928 -3.135 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.370 -0.755 0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.985 -0.667 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.215 -1.301 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.582 -1.158 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.717 -1.267 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.086 -1.127 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.157 -1.185 -4.483 1.00 0.00 H new ATOM 1298 N SER A 84 -1.218 -2.568 1.112 1.00 0.00 N ATOM 1299 CA SER A 84 -0.215 -2.500 2.168 1.00 0.00 C ATOM 1300 C SER A 84 1.067 -1.848 1.659 1.00 0.00 C ATOM 1301 O SER A 84 1.357 -1.873 0.463 1.00 0.00 O ATOM 1302 CB SER A 84 0.089 -3.901 2.703 1.00 0.00 C ATOM 1303 OG SER A 84 0.482 -3.853 4.063 1.00 0.00 O ATOM 0 H SER A 84 -0.834 -2.606 0.168 1.00 0.00 H new ATOM 0 HA SER A 84 -0.616 -1.889 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.793 -4.533 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.881 -4.357 2.108 1.00 0.00 H new ATOM 0 HG SER A 84 -0.313 -3.898 4.635 1.00 0.00 H new ATOM 1309 N VAL A 85 1.832 -1.265 2.577 1.00 0.00 N ATOM 1310 CA VAL A 85 3.084 -0.608 2.223 1.00 0.00 C ATOM 1311 C VAL A 85 4.219 -1.059 3.134 1.00 0.00 C ATOM 1312 O VAL A 85 4.009 -1.328 4.317 1.00 0.00 O ATOM 1313 CB VAL A 85 2.955 0.925 2.303 1.00 0.00 C ATOM 1314 CG1 VAL A 85 3.985 1.596 1.407 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.546 1.361 1.928 1.00 0.00 C ATOM 0 H VAL A 85 1.606 -1.235 3.571 1.00 0.00 H new ATOM 0 HA VAL A 85 3.312 -0.894 1.196 1.00 0.00 H new ATOM 0 HB VAL A 85 3.146 1.235 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.878 2.678 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.987 1.309 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.829 1.282 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.473 2.447 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.324 1.040 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.830 0.909 2.615 1.00 0.00 H new ATOM 1325 N MET A 86 5.422 -1.140 2.576 1.00 0.00 N ATOM 1326 CA MET A 86 6.592 -1.558 3.340 1.00 0.00 C ATOM 1327 C MET A 86 7.840 -0.815 2.873 1.00 0.00 C ATOM 1328 O MET A 86 7.864 -0.247 1.782 1.00 0.00 O ATOM 1329 CB MET A 86 6.803 -3.067 3.207 1.00 0.00 C ATOM 1330 CG MET A 86 7.037 -3.524 1.776 1.00 0.00 C ATOM 1331 SD MET A 86 7.523 -5.257 1.672 1.00 0.00 S ATOM 1332 CE MET A 86 9.226 -5.166 2.217 1.00 0.00 C ATOM 0 H MET A 86 5.613 -0.922 1.598 1.00 0.00 H new ATOM 0 HA MET A 86 6.416 -1.315 4.388 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.656 -3.362 3.818 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.931 -3.584 3.607 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.127 -3.370 1.196 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.812 -2.905 1.323 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.870 -5.644 1.479 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.517 -4.122 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.329 -5.677 3.174 1.00 0.00 H new ATOM 1342 N VAL A 87 8.876 -0.825 3.707 1.00 0.00 N ATOM 1343 CA VAL A 87 10.127 -0.153 3.378 1.00 0.00 C ATOM 1344 C VAL A 87 11.291 -1.138 3.360 1.00 0.00 C ATOM 1345 O VAL A 87 11.397 -2.008 4.225 1.00 0.00 O ATOM 1346 CB VAL A 87 10.439 0.974 4.380 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.455 0.435 5.803 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.764 1.639 4.038 1.00 0.00 C ATOM 0 H VAL A 87 8.873 -1.291 4.614 1.00 0.00 H new ATOM 0 HA VAL A 87 10.003 0.278 2.385 1.00 0.00 H new ATOM 0 HB VAL A 87 9.653 1.726 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.677 1.246 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.480 0.010 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.219 -0.337 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.969 2.433 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.563 0.899 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.711 2.062 3.035 1.00 0.00 H new ATOM 1358 N THR A 88 12.165 -0.995 2.368 1.00 0.00 N ATOM 1359 CA THR A 88 13.321 -1.872 2.235 1.00 0.00 C ATOM 1360 C THR A 88 14.595 -1.069 1.995 1.00 0.00 C ATOM 1361 O THR A 88 14.605 -0.120 1.211 1.00 0.00 O ATOM 1362 CB THR A 88 13.136 -2.876 1.082 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.952 -3.654 1.296 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.340 -3.798 0.968 1.00 0.00 C ATOM 0 H THR A 88 12.094 -0.279 1.645 1.00 0.00 H new ATOM 0 HA THR A 88 13.411 -2.420 3.173 1.00 0.00 H new ATOM 0 HB THR A 88 13.039 -2.315 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.840 -4.289 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.186 -4.498 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.235 -3.206 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.463 -4.352 1.899 1.00 0.00 H new ATOM 1372 N LYS A 89 15.669 -1.457 2.674 1.00 0.00 N ATOM 1373 CA LYS A 89 16.951 -0.775 2.533 1.00 0.00 C ATOM 1374 C LYS A 89 18.108 -1.763 2.647 1.00 0.00 C ATOM 1375 O LYS A 89 17.996 -2.791 3.314 1.00 0.00 O ATOM 1376 CB LYS A 89 17.091 0.316 3.597 1.00 0.00 C ATOM 1377 CG LYS A 89 16.329 1.588 3.268 1.00 0.00 C ATOM 1378 CD LYS A 89 16.331 2.557 4.438 1.00 0.00 C ATOM 1379 CE LYS A 89 17.631 3.344 4.507 1.00 0.00 C ATOM 1380 NZ LYS A 89 17.552 4.462 5.488 1.00 0.00 N ATOM 0 H LYS A 89 15.678 -2.240 3.328 1.00 0.00 H new ATOM 0 HA LYS A 89 16.984 -0.316 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.738 -0.072 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.147 0.557 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.777 2.067 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.302 1.339 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.492 3.246 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.188 2.007 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.446 2.675 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.867 3.743 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.457 4.973 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.791 5.114 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.352 4.080 6.434 1.00 0.00 H new ATOM 1394 N GLY A 90 19.220 -1.443 1.992 1.00 0.00 N ATOM 1395 CA GLY A 90 20.382 -2.311 2.035 1.00 0.00 C ATOM 1396 C GLY A 90 20.030 -3.763 1.778 1.00 0.00 C ATOM 1397 O GLY A 90 19.824 -4.166 0.633 1.00 0.00 O ATOM 0 H GLY A 90 19.337 -0.598 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.107 -1.979 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.861 -2.223 3.010 1.00 0.00 H new ATOM 1401 N ARG A 91 19.962 -4.552 2.846 1.00 0.00 N ATOM 1402 CA ARG A 91 19.635 -5.968 2.730 1.00 0.00 C ATOM 1403 C ARG A 91 18.553 -6.360 3.732 1.00 0.00 C ATOM 1404 O ARG A 91 18.274 -7.542 3.928 1.00 0.00 O ATOM 1405 CB ARG A 91 20.885 -6.821 2.954 1.00 0.00 C ATOM 1406 CG ARG A 91 21.717 -7.023 1.698 1.00 0.00 C ATOM 1407 CD ARG A 91 22.965 -7.844 1.983 1.00 0.00 C ATOM 1408 NE ARG A 91 23.897 -7.831 0.858 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.901 -8.691 0.726 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.101 -9.628 1.642 1.00 0.00 N ATOM 1411 NH2 ARG A 91 25.707 -8.615 -0.326 1.00 0.00 N ATOM 0 H ARG A 91 20.129 -4.234 3.801 1.00 0.00 H new ATOM 0 HA ARG A 91 19.256 -6.147 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.504 -6.350 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.586 -7.795 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.116 -7.524 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.003 -6.054 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.462 -7.452 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.680 -8.872 2.206 1.00 0.00 H new ATOM 0 HE ARG A 91 23.770 -7.123 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.483 -9.690 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.873 -10.287 1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 91 25.556 -7.896 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 91 26.478 -9.276 -0.427 1.00 0.00 H new ATOM 1425 N ARG A 92 17.947 -5.359 4.363 1.00 0.00 N ATOM 1426 CA ARG A 92 16.897 -5.599 5.345 1.00 0.00 C ATOM 1427 C ARG A 92 15.577 -4.985 4.890 1.00 0.00 C ATOM 1428 O ARG A 92 15.499 -4.375 3.823 1.00 0.00 O ATOM 1429 CB ARG A 92 17.299 -5.021 6.704 1.00 0.00 C ATOM 1430 CG ARG A 92 17.046 -3.528 6.830 1.00 0.00 C ATOM 1431 CD ARG A 92 17.952 -2.896 7.875 1.00 0.00 C ATOM 1432 NE ARG A 92 19.274 -2.587 7.338 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.250 -2.041 8.056 1.00 0.00 C ATOM 1434 NH1 ARG A 92 20.052 -1.745 9.333 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.426 -1.790 7.496 1.00 0.00 N ATOM 0 H ARG A 92 18.166 -4.374 4.211 1.00 0.00 H new ATOM 0 HA ARG A 92 16.763 -6.676 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.749 -5.542 7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.358 -5.217 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.210 -3.047 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.004 -3.356 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.491 -1.983 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.054 -3.573 8.723 1.00 0.00 H new ATOM 0 HE ARG A 92 19.459 -2.802 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.149 -1.936 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.803 -1.326 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.582 -2.016 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.175 -1.371 8.048 1.00 0.00 H new ATOM 1449 N SER A 93 14.541 -5.151 5.706 1.00 0.00 N ATOM 1450 CA SER A 93 13.222 -4.617 5.386 1.00 0.00 C ATOM 1451 C SER A 93 12.309 -4.656 6.607 1.00 0.00 C ATOM 1452 O SER A 93 12.728 -5.046 7.697 1.00 0.00 O ATOM 1453 CB SER A 93 12.593 -5.410 4.239 1.00 0.00 C ATOM 1454 OG SER A 93 12.498 -6.786 4.562 1.00 0.00 O ATOM 0 H SER A 93 14.589 -5.651 6.594 1.00 0.00 H new ATOM 0 HA SER A 93 13.342 -3.578 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.601 -5.015 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.191 -5.286 3.336 1.00 0.00 H new ATOM 0 HG SER A 93 12.091 -7.270 3.813 1.00 0.00 H new ATOM 1460 N SER A 94 11.058 -4.249 6.416 1.00 0.00 N ATOM 1461 CA SER A 94 10.085 -4.233 7.502 1.00 0.00 C ATOM 1462 C SER A 94 8.818 -4.987 7.108 1.00 0.00 C ATOM 1463 O SER A 94 8.470 -5.066 5.929 1.00 0.00 O ATOM 1464 CB SER A 94 9.737 -2.793 7.883 1.00 0.00 C ATOM 1465 OG SER A 94 9.054 -2.137 6.829 1.00 0.00 O ATOM 0 H SER A 94 10.695 -3.926 5.519 1.00 0.00 H new ATOM 0 HA SER A 94 10.531 -4.731 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.117 -2.791 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.649 -2.247 8.125 1.00 0.00 H new ATOM 0 HG SER A 94 8.111 -2.402 6.836 1.00 0.00 H new ATOM 1471 N THR A 95 8.131 -5.539 8.103 1.00 0.00 N ATOM 1472 CA THR A 95 6.904 -6.288 7.862 1.00 0.00 C ATOM 1473 C THR A 95 5.893 -5.451 7.086 1.00 0.00 C ATOM 1474 O THR A 95 6.107 -4.261 6.854 1.00 0.00 O ATOM 1475 CB THR A 95 6.262 -6.754 9.182 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.155 -7.620 8.909 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.791 -5.564 10.005 1.00 0.00 C ATOM 0 H THR A 95 8.404 -5.481 9.084 1.00 0.00 H new ATOM 0 HA THR A 95 7.178 -7.162 7.271 1.00 0.00 H new ATOM 0 HB THR A 95 7.014 -7.296 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.753 -7.913 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.341 -5.918 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.641 -4.922 10.236 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.053 -4.998 9.437 1.00 0.00 H new ATOM 1485 N TRP A 96 4.793 -6.080 6.688 1.00 0.00 N ATOM 1486 CA TRP A 96 3.749 -5.391 5.939 1.00 0.00 C ATOM 1487 C TRP A 96 2.870 -4.560 6.867 1.00 0.00 C ATOM 1488 O TRP A 96 2.213 -5.095 7.759 1.00 0.00 O ATOM 1489 CB TRP A 96 2.891 -6.401 5.174 1.00 0.00 C ATOM 1490 CG TRP A 96 3.558 -6.935 3.943 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.034 -8.201 3.752 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.825 -6.217 2.733 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.580 -8.313 2.496 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.464 -7.110 1.851 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.584 -4.908 2.309 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.865 -6.734 0.572 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.983 -4.535 1.039 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.617 -5.445 0.182 1.00 0.00 C ATOM 0 H TRP A 96 4.601 -7.065 6.871 1.00 0.00 H new ATOM 0 HA TRP A 96 4.230 -4.720 5.228 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.645 -7.232 5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.950 -5.928 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.988 -8.997 4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.003 -9.156 2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.095 -4.200 2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.354 -7.434 -0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.803 -3.525 0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.916 -5.123 -0.805 1.00 0.00 H new ATOM 1509 N SER A 97 2.864 -3.248 6.651 1.00 0.00 N ATOM 1510 CA SER A 97 2.068 -2.342 7.472 1.00 0.00 C ATOM 1511 C SER A 97 0.631 -2.840 7.593 1.00 0.00 C ATOM 1512 O SER A 97 0.233 -3.791 6.921 1.00 0.00 O ATOM 1513 CB SER A 97 2.084 -0.934 6.875 1.00 0.00 C ATOM 1514 OG SER A 97 1.526 -0.925 5.572 1.00 0.00 O ATOM 0 H SER A 97 3.401 -2.789 5.915 1.00 0.00 H new ATOM 0 HA SER A 97 2.508 -2.311 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.523 -0.256 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.108 -0.563 6.838 1.00 0.00 H new ATOM 0 HG SER A 97 0.548 -0.923 5.635 1.00 0.00 H new ATOM 1520 N MET A 98 -0.143 -2.189 8.455 1.00 0.00 N ATOM 1521 CA MET A 98 -1.537 -2.564 8.664 1.00 0.00 C ATOM 1522 C MET A 98 -2.285 -2.638 7.337 1.00 0.00 C ATOM 1523 O MET A 98 -2.268 -1.691 6.549 1.00 0.00 O ATOM 1524 CB MET A 98 -2.222 -1.561 9.595 1.00 0.00 C ATOM 1525 CG MET A 98 -1.890 -0.112 9.278 1.00 0.00 C ATOM 1526 SD MET A 98 -2.857 1.052 10.258 1.00 0.00 S ATOM 1527 CE MET A 98 -1.804 1.244 11.693 1.00 0.00 C ATOM 0 H MET A 98 0.171 -1.400 9.020 1.00 0.00 H new ATOM 0 HA MET A 98 -1.557 -3.551 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.301 -1.700 9.534 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.931 -1.775 10.623 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.829 0.061 9.458 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.069 0.074 8.219 1.00 0.00 H new ATOM 0 HE1 MET A 98 -2.268 1.937 12.395 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.667 0.276 12.176 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.835 1.635 11.383 1.00 0.00 H new ATOM 1537 N THR A 99 -2.941 -3.768 7.095 1.00 0.00 N ATOM 1538 CA THR A 99 -3.694 -3.966 5.863 1.00 0.00 C ATOM 1539 C THR A 99 -4.871 -3.001 5.777 1.00 0.00 C ATOM 1540 O THR A 99 -5.782 -3.044 6.603 1.00 0.00 O ATOM 1541 CB THR A 99 -4.219 -5.410 5.751 1.00 0.00 C ATOM 1542 OG1 THR A 99 -3.240 -6.327 6.252 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.551 -5.754 4.307 1.00 0.00 C ATOM 0 H THR A 99 -2.966 -4.561 7.736 1.00 0.00 H new ATOM 0 HA THR A 99 -3.008 -3.772 5.039 1.00 0.00 H new ATOM 0 HB THR A 99 -5.129 -5.490 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.582 -7.243 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.920 -6.778 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.317 -5.072 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.654 -5.658 3.695 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.846 -2.133 4.771 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.913 -1.159 4.576 1.00 0.00 C ATOM 1553 C ALA A 100 -6.930 -1.656 3.554 1.00 0.00 C ATOM 1554 O ALA A 100 -6.595 -1.883 2.391 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.334 0.178 4.140 1.00 0.00 C ATOM 0 H ALA A 100 -4.099 -2.084 4.079 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.428 -1.026 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.142 0.896 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.652 0.546 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.792 0.052 3.203 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.172 -1.825 3.996 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.238 -2.295 3.118 1.00 0.00 C ATOM 1563 C HIS A 101 -9.958 -1.122 2.461 1.00 0.00 C ATOM 1564 O HIS A 101 -10.264 -0.124 3.112 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.236 -3.146 3.905 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.647 -4.410 4.451 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.556 -4.676 5.801 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -9.118 -5.485 3.821 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.995 -5.859 5.977 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.720 -6.371 4.791 1.00 0.00 N ATOM 0 H HIS A 101 -8.465 -1.644 4.956 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.788 -2.906 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.634 -2.555 4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.077 -3.397 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.026 -5.620 2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.795 -6.328 6.929 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.283 -7.277 4.623 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.226 -1.250 1.164 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.907 -0.193 0.440 1.00 0.00 C ATOM 1581 C GLY A 102 -11.773 -0.725 -0.684 1.00 0.00 C ATOM 1582 O GLY A 102 -11.266 -1.279 -1.660 1.00 0.00 O ATOM 0 H GLY A 102 -9.984 -2.067 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.526 0.377 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.169 0.497 0.031 1.00 0.00 H new ATOM 1586 N THR A 103 -13.085 -0.559 -0.548 1.00 0.00 N ATOM 1587 CA THR A 103 -14.024 -1.029 -1.559 1.00 0.00 C ATOM 1588 C THR A 103 -14.358 0.075 -2.555 1.00 0.00 C ATOM 1589 O THR A 103 -14.839 1.144 -2.176 1.00 0.00 O ATOM 1590 CB THR A 103 -15.328 -1.540 -0.919 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.029 -2.376 0.204 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.158 -2.318 -1.930 1.00 0.00 C ATOM 0 H THR A 103 -13.521 -0.102 0.253 1.00 0.00 H new ATOM 0 HA THR A 103 -13.538 -1.852 -2.083 1.00 0.00 H new ATOM 0 HB THR A 103 -15.905 -0.677 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.864 -2.695 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.074 -2.669 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.410 -1.670 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.585 -3.173 -2.290 1.00 0.00 H new ATOM 1600 N THR A 104 -14.101 -0.188 -3.833 1.00 0.00 N ATOM 1601 CA THR A 104 -14.375 0.784 -4.884 1.00 0.00 C ATOM 1602 C THR A 104 -15.874 0.948 -5.104 1.00 0.00 C ATOM 1603 O THR A 104 -16.658 0.044 -4.812 1.00 0.00 O ATOM 1604 CB THR A 104 -13.714 0.374 -6.213 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.201 -0.907 -6.628 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.200 0.326 -6.073 1.00 0.00 C ATOM 0 H THR A 104 -13.703 -1.067 -4.165 1.00 0.00 H new ATOM 0 HA THR A 104 -13.953 1.734 -4.555 1.00 0.00 H new ATOM 0 HB THR A 104 -13.969 1.120 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.535 -1.340 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.756 0.034 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.830 1.310 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.928 -0.401 -5.308 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.268 2.107 -5.621 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.675 2.389 -5.881 1.00 0.00 C ATOM 1616 C PHE A 105 -18.179 1.590 -7.079 1.00 0.00 C ATOM 1617 O PHE A 105 -17.446 1.370 -8.043 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.879 3.885 -6.130 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.438 4.749 -4.983 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -17.950 4.550 -3.711 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.511 5.761 -5.178 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -17.545 5.343 -2.654 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.103 6.557 -4.124 1.00 0.00 C ATOM 1624 CZ PHE A 105 -16.622 6.348 -2.861 1.00 0.00 C ATOM 0 H PHE A 105 -15.633 2.866 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.247 2.092 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.329 4.175 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.934 4.071 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.674 3.766 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.103 5.929 -6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -17.950 5.176 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.379 7.342 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.306 6.970 -2.037 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.434 1.157 -7.009 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.034 0.380 -8.088 1.00 0.00 C ATOM 1636 C GLU A 106 -19.914 1.115 -9.420 1.00 0.00 C ATOM 1637 O GLU A 106 -19.785 2.339 -9.457 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.506 0.095 -7.782 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.406 1.310 -7.931 1.00 0.00 C ATOM 1640 CD GLU A 106 -22.526 2.108 -6.647 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -22.222 1.551 -5.572 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -22.925 3.290 -6.718 1.00 0.00 O ATOM 0 H GLU A 106 -20.054 1.331 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.496 -0.565 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.860 -0.693 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.589 -0.286 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.014 1.953 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.398 0.986 -8.247 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.955 0.359 -10.511 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.850 0.937 -11.846 1.00 0.00 C ATOM 1651 C LEU A 107 -20.991 0.457 -12.739 1.00 0.00 C ATOM 1652 O LEU A 107 -21.809 1.254 -13.198 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.506 0.570 -12.478 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.369 0.848 -13.975 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -18.271 2.343 -14.234 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.157 0.125 -14.543 1.00 0.00 C ATOM 0 H LEU A 107 -20.060 -0.655 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.917 2.021 -11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.720 1.115 -11.954 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.325 -0.491 -12.308 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.260 0.471 -14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.174 2.521 -15.305 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.170 2.836 -13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.399 2.745 -13.719 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.075 0.334 -15.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.256 0.470 -14.035 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.270 -0.949 -14.392 1.00 0.00 H new