USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 249 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 69 ASN : amide:sc= -0.202 K(o=-0.18,f=-6.4!) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.0242 X(o=-0.18,f=-0.23) USER MOD Set 2.1: A 47 THR OG1 : rot 122:sc= 0.626 USER MOD Set 2.2: A 51 SER OG : rot 155:sc= 1.08 USER MOD Set 3.1: A 22 TYR OH : rot 137:sc= -0.0547 USER MOD Set 3.2: A 83 ASN : amide:sc= -0.208 X(o=-0.26,f=-0.69) USER MOD Set 4.1: A 17 ASN : amide:sc= 0.215 K(o=0.55,f=0) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= 0.333 USER MOD Set 5.1: A 5 GLN : amide:sc= -0.468 X(o=-0.91,f=-0.79) USER MOD Set 5.2: A 37 ASN : amide:sc= -0.44 X(o=-0.91,f=-0.79) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 3 MET CE :methyl -173:sc= 0 (180deg=-0.0683) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -38:sc= -1.32 USER MOD Single : A 25 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 32 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-13!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 SER OG : rot -85:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0319) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 53 TYR OH : rot -145:sc= 0.231 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00502) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 62 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.1) USER MOD Single : A 64 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00837) USER MOD Single : A 71 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.13) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -170:sc= 0.111 USER MOD Single : A 92 MET CE :methyl -154:sc= 0 (180deg=-0.267) USER MOD Single : A 93 ASN : amide:sc= 0.655 K(o=0.65,f=-6!) USER MOD Single : A 94 THR OG1 : rot 172:sc= -1.14 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -89:sc= -2.35! USER MOD Single : A 103 MET CE :methyl -130:sc= 0 (180deg=-1.06) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-7.2!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.578 -18.447 -9.613 1.00 0.00 N ATOM 2 CA GLY A 1 -6.451 -17.268 -9.809 1.00 0.00 C ATOM 3 C GLY A 1 -5.713 -15.912 -9.764 1.00 0.00 C ATOM 4 O GLY A 1 -5.109 -15.485 -10.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.151 -19.314 -9.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.854 -18.471 -10.360 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.115 -18.385 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.956 -17.361 -10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.224 -17.272 -9.041 1.00 0.00 H new ATOM 8 N SER A 2 -5.698 -15.316 -8.575 1.00 0.00 N ATOM 9 CA SER A 2 -5.027 -14.025 -8.316 1.00 0.00 C ATOM 10 C SER A 2 -3.720 -14.210 -7.526 1.00 0.00 C ATOM 11 O SER A 2 -3.642 -14.046 -6.308 1.00 0.00 O ATOM 12 CB SER A 2 -6.006 -13.075 -7.607 1.00 0.00 C ATOM 13 OG SER A 2 -6.720 -13.762 -6.569 1.00 0.00 O ATOM 0 H SER A 2 -6.152 -15.710 -7.751 1.00 0.00 H new ATOM 0 HA SER A 2 -4.740 -13.578 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.460 -12.233 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.711 -12.666 -8.330 1.00 0.00 H new ATOM 0 HG SER A 2 -7.336 -13.140 -6.129 1.00 0.00 H new ATOM 16 N MET A 3 -2.685 -14.560 -8.285 1.00 0.00 N ATOM 17 CA MET A 3 -1.343 -14.867 -7.747 1.00 0.00 C ATOM 18 C MET A 3 -0.308 -13.949 -8.417 1.00 0.00 C ATOM 19 O MET A 3 0.092 -14.165 -9.560 1.00 0.00 O ATOM 20 CB MET A 3 -1.037 -16.347 -8.001 1.00 0.00 C ATOM 21 CG MET A 3 0.164 -16.835 -7.182 1.00 0.00 C ATOM 22 SD MET A 3 0.684 -18.547 -7.573 1.00 0.00 S ATOM 23 CE MET A 3 -0.732 -19.492 -7.044 1.00 0.00 C ATOM 0 H MET A 3 -2.744 -14.642 -9.300 1.00 0.00 H new ATOM 0 HA MET A 3 -1.304 -14.688 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.913 -16.946 -7.752 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.838 -16.499 -9.062 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.005 -16.163 -7.353 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.083 -16.774 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.504 -20.556 -7.108 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.977 -19.235 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.582 -19.264 -7.687 1.00 0.00 H new ATOM 25 N GLU A 4 0.026 -12.882 -7.692 1.00 0.00 N ATOM 26 CA GLU A 4 0.808 -11.729 -8.200 1.00 0.00 C ATOM 27 C GLU A 4 0.116 -11.080 -9.418 1.00 0.00 C ATOM 28 O GLU A 4 -1.098 -11.217 -9.562 1.00 0.00 O ATOM 29 CB GLU A 4 2.271 -12.100 -8.498 1.00 0.00 C ATOM 30 CG GLU A 4 3.141 -12.113 -7.240 1.00 0.00 C ATOM 31 CD GLU A 4 3.421 -13.521 -6.711 1.00 0.00 C ATOM 32 OE1 GLU A 4 2.456 -14.165 -6.245 1.00 0.00 O ATOM 33 OE2 GLU A 4 4.620 -13.871 -6.676 1.00 0.00 O ATOM 0 H GLU A 4 -0.240 -12.782 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 4 0.839 -10.985 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.304 -13.082 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.684 -11.389 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.088 -11.619 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.649 -11.531 -6.461 1.00 0.00 H new ATOM 35 N GLN A 5 0.843 -10.221 -10.139 1.00 0.00 N ATOM 36 CA GLN A 5 0.375 -9.571 -11.385 1.00 0.00 C ATOM 37 C GLN A 5 -1.040 -8.946 -11.320 1.00 0.00 C ATOM 38 O GLN A 5 -1.868 -9.159 -12.205 1.00 0.00 O ATOM 39 CB GLN A 5 0.524 -10.544 -12.568 1.00 0.00 C ATOM 40 CG GLN A 5 1.930 -10.596 -13.184 1.00 0.00 C ATOM 41 CD GLN A 5 2.998 -11.327 -12.361 1.00 0.00 C ATOM 42 OE1 GLN A 5 2.751 -12.235 -11.582 1.00 0.00 O ATOM 43 NE2 GLN A 5 4.247 -10.962 -12.547 1.00 0.00 N ATOM 0 H GLN A 5 1.790 -9.948 -9.876 1.00 0.00 H new ATOM 0 HA GLN A 5 1.023 -8.707 -11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.251 -11.545 -12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.188 -10.262 -13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.860 -11.076 -14.160 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.268 -9.574 -13.355 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.466 -10.205 -13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.997 -11.436 -12.044 1.00 0.00 H new ATOM 47 N PHE A 6 -1.287 -8.213 -10.228 1.00 0.00 N ATOM 48 CA PHE A 6 -2.541 -7.479 -9.917 1.00 0.00 C ATOM 49 C PHE A 6 -2.535 -6.948 -8.473 1.00 0.00 C ATOM 50 O PHE A 6 -2.774 -7.686 -7.517 1.00 0.00 O ATOM 51 CB PHE A 6 -3.797 -8.345 -10.106 1.00 0.00 C ATOM 52 CG PHE A 6 -4.837 -7.662 -10.998 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.585 -7.488 -12.355 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.109 -7.407 -10.499 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.599 -7.083 -13.212 1.00 0.00 C ATOM 56 CE2 PHE A 6 -7.126 -7.001 -11.357 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.872 -6.841 -12.715 1.00 0.00 C ATOM 0 H PHE A 6 -0.588 -8.104 -9.493 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.577 -6.649 -10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.515 -9.302 -10.546 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.239 -8.559 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.594 -7.669 -12.744 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.308 -7.524 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.397 -6.956 -14.265 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.115 -6.810 -10.968 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.663 -6.529 -13.381 1.00 0.00 H new ATOM 64 N GLU A 7 -2.056 -5.718 -8.307 1.00 0.00 N ATOM 65 CA GLU A 7 -2.085 -5.050 -6.988 1.00 0.00 C ATOM 66 C GLU A 7 -2.766 -3.674 -7.037 1.00 0.00 C ATOM 67 O GLU A 7 -2.205 -2.690 -7.516 1.00 0.00 O ATOM 68 CB GLU A 7 -0.679 -4.975 -6.388 1.00 0.00 C ATOM 69 CG GLU A 7 -0.156 -6.346 -5.942 1.00 0.00 C ATOM 70 CD GLU A 7 1.220 -6.686 -6.523 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.484 -6.311 -7.690 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.985 -7.350 -5.790 1.00 0.00 O ATOM 0 H GLU A 7 -1.645 -5.160 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.699 -5.662 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.004 -4.551 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.688 -4.298 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.099 -6.369 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.869 -7.114 -6.241 1.00 0.00 H new ATOM 74 N LEU A 8 -4.003 -3.675 -6.553 1.00 0.00 N ATOM 75 CA LEU A 8 -4.908 -2.508 -6.590 1.00 0.00 C ATOM 76 C LEU A 8 -5.215 -2.012 -5.168 1.00 0.00 C ATOM 77 O LEU A 8 -5.822 -2.718 -4.362 1.00 0.00 O ATOM 78 CB LEU A 8 -6.218 -2.892 -7.296 1.00 0.00 C ATOM 79 CG LEU A 8 -6.051 -3.535 -8.683 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.405 -4.063 -9.160 1.00 0.00 C ATOM 81 CD2 LEU A 8 -5.484 -2.553 -9.712 1.00 0.00 C ATOM 0 H LEU A 8 -4.422 -4.495 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.416 -1.705 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.767 -3.583 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.832 -1.997 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.337 -4.353 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.292 -4.520 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.774 -4.807 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.115 -3.239 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.384 -3.053 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.158 -1.702 -9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.506 -2.204 -9.381 1.00 0.00 H new ATOM 83 N PHE A 9 -4.639 -0.859 -4.841 1.00 0.00 N ATOM 84 CA PHE A 9 -4.808 -0.230 -3.514 1.00 0.00 C ATOM 85 C PHE A 9 -5.363 1.201 -3.626 1.00 0.00 C ATOM 86 O PHE A 9 -5.164 1.888 -4.625 1.00 0.00 O ATOM 87 CB PHE A 9 -3.477 -0.231 -2.748 1.00 0.00 C ATOM 88 CG PHE A 9 -2.831 -1.618 -2.662 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.224 -2.532 -1.691 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.838 -1.962 -3.566 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.658 -3.801 -1.658 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.234 -3.211 -3.497 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.655 -4.140 -2.556 1.00 0.00 C ATOM 0 H PHE A 9 -4.043 -0.329 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.537 -0.822 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.785 0.456 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.645 0.148 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.970 -2.256 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.533 -1.257 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.999 -4.525 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.434 -3.460 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.205 -5.121 -2.522 1.00 0.00 H new ATOM 100 N SER A 10 -6.151 1.601 -2.631 1.00 0.00 N ATOM 101 CA SER A 10 -6.796 2.935 -2.615 1.00 0.00 C ATOM 102 C SER A 10 -6.924 3.469 -1.183 1.00 0.00 C ATOM 103 O SER A 10 -7.558 2.833 -0.345 1.00 0.00 O ATOM 104 CB SER A 10 -8.215 2.870 -3.204 1.00 0.00 C ATOM 105 OG SER A 10 -8.262 2.059 -4.382 1.00 0.00 O ATOM 0 H SER A 10 -6.366 1.026 -1.817 1.00 0.00 H new ATOM 0 HA SER A 10 -6.164 3.593 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.901 2.468 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.557 3.877 -3.442 1.00 0.00 H new ATOM 0 HG SER A 10 -9.178 2.039 -4.729 1.00 0.00 H new ATOM 108 N ILE A 11 -6.338 4.633 -0.913 1.00 0.00 N ATOM 109 CA ILE A 11 -6.458 5.295 0.407 1.00 0.00 C ATOM 110 C ILE A 11 -7.896 5.784 0.665 1.00 0.00 C ATOM 111 O ILE A 11 -8.615 6.136 -0.269 1.00 0.00 O ATOM 112 CB ILE A 11 -5.365 6.385 0.550 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.481 6.152 1.788 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.819 7.849 0.419 1.00 0.00 C ATOM 115 CD1 ILE A 11 -5.153 6.205 3.167 1.00 0.00 C ATOM 0 H ILE A 11 -5.771 5.148 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.272 4.573 1.202 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.758 6.246 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.008 5.175 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.684 6.895 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.960 8.509 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.262 8.006 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.557 8.071 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.408 6.023 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.600 7.188 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.929 5.442 3.223 1.00 0.00 H new ATOM 117 N ASP A 12 -8.291 5.751 1.935 1.00 0.00 N ATOM 118 CA ASP A 12 -9.558 6.354 2.410 1.00 0.00 C ATOM 119 C ASP A 12 -9.683 7.884 2.319 1.00 0.00 C ATOM 120 O ASP A 12 -10.792 8.387 2.176 1.00 0.00 O ATOM 121 CB ASP A 12 -10.023 5.834 3.785 1.00 0.00 C ATOM 122 CG ASP A 12 -9.006 5.786 4.932 1.00 0.00 C ATOM 123 OD1 ASP A 12 -7.845 5.383 4.679 1.00 0.00 O ATOM 124 OD2 ASP A 12 -9.394 6.118 6.067 1.00 0.00 O ATOM 0 H ASP A 12 -7.748 5.307 2.675 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.254 5.985 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.859 6.455 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.411 4.825 3.644 1.00 0.00 H new ATOM 126 N LYS A 13 -8.538 8.576 2.283 1.00 0.00 N ATOM 127 CA LYS A 13 -8.433 10.054 2.331 1.00 0.00 C ATOM 128 C LYS A 13 -9.207 10.607 3.540 1.00 0.00 C ATOM 129 O LYS A 13 -10.327 11.106 3.459 1.00 0.00 O ATOM 130 CB LYS A 13 -8.837 10.640 0.966 1.00 0.00 C ATOM 131 CG LYS A 13 -8.754 12.162 0.791 1.00 0.00 C ATOM 132 CD LYS A 13 -10.152 12.786 0.863 1.00 0.00 C ATOM 133 CE LYS A 13 -10.379 13.812 -0.249 1.00 0.00 C ATOM 134 NZ LYS A 13 -11.750 14.341 -0.191 1.00 0.00 N ATOM 0 H LYS A 13 -7.629 8.118 2.218 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.403 10.370 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.208 10.180 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.863 10.334 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.118 12.589 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.292 12.399 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.904 12.000 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.285 13.266 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.664 14.628 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.202 13.349 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.887 15.036 -0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.428 13.561 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.906 14.801 0.729 1.00 0.00 H new ATOM 139 N PHE A 14 -8.644 10.253 4.689 1.00 0.00 N ATOM 140 CA PHE A 14 -9.204 10.625 5.995 1.00 0.00 C ATOM 141 C PHE A 14 -8.107 11.316 6.828 1.00 0.00 C ATOM 142 O PHE A 14 -7.569 12.326 6.381 1.00 0.00 O ATOM 143 CB PHE A 14 -9.809 9.350 6.609 1.00 0.00 C ATOM 144 CG PHE A 14 -10.858 9.670 7.674 1.00 0.00 C ATOM 145 CD1 PHE A 14 -11.982 10.412 7.322 1.00 0.00 C ATOM 146 CD2 PHE A 14 -10.704 9.213 8.977 1.00 0.00 C ATOM 147 CE1 PHE A 14 -12.943 10.713 8.276 1.00 0.00 C ATOM 148 CE2 PHE A 14 -11.670 9.513 9.931 1.00 0.00 C ATOM 149 CZ PHE A 14 -12.786 10.265 9.583 1.00 0.00 C ATOM 0 H PHE A 14 -7.788 9.701 4.748 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.011 11.355 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.263 8.749 5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.015 8.748 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.106 10.754 6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.838 8.627 9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.812 11.294 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.553 9.161 10.945 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.531 10.501 10.328 1.00 0.00 H new ATOM 156 N LYS A 15 -7.596 10.622 7.843 1.00 0.00 N ATOM 157 CA LYS A 15 -6.536 11.111 8.746 1.00 0.00 C ATOM 158 C LYS A 15 -6.015 9.893 9.521 1.00 0.00 C ATOM 159 O LYS A 15 -6.820 9.114 10.024 1.00 0.00 O ATOM 160 CB LYS A 15 -7.154 12.094 9.748 1.00 0.00 C ATOM 161 CG LYS A 15 -6.369 13.397 9.946 1.00 0.00 C ATOM 162 CD LYS A 15 -6.479 14.329 8.733 1.00 0.00 C ATOM 163 CE LYS A 15 -6.159 15.788 9.081 1.00 0.00 C ATOM 164 NZ LYS A 15 -4.762 15.998 9.490 1.00 0.00 N ATOM 0 H LYS A 15 -7.910 9.679 8.073 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.739 11.604 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.162 12.342 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.249 11.595 10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.740 13.912 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.320 13.163 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.798 13.987 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.487 14.269 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.375 16.416 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.818 16.115 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.612 17.003 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.557 15.424 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.127 15.716 8.716 1.00 0.00 H new ATOM 169 N CYS A 16 -4.742 9.573 9.300 1.00 0.00 N ATOM 170 CA CYS A 16 -4.096 8.501 10.085 1.00 0.00 C ATOM 171 C CYS A 16 -2.975 8.900 11.054 1.00 0.00 C ATOM 172 O CYS A 16 -3.009 8.439 12.191 1.00 0.00 O ATOM 173 CB CYS A 16 -3.782 7.273 9.227 1.00 0.00 C ATOM 174 SG CYS A 16 -5.238 6.163 9.252 1.00 0.00 S ATOM 0 H CYS A 16 -4.144 10.021 8.606 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.869 8.217 10.799 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.552 7.573 8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.904 6.755 9.613 1.00 0.00 H new ATOM 176 N ASN A 17 -1.989 9.673 10.587 1.00 0.00 N ATOM 177 CA ASN A 17 -1.001 10.392 11.433 1.00 0.00 C ATOM 178 C ASN A 17 -0.015 11.159 10.531 1.00 0.00 C ATOM 179 O ASN A 17 -0.348 12.220 10.007 1.00 0.00 O ATOM 180 CB ASN A 17 -0.259 9.467 12.423 1.00 0.00 C ATOM 181 CG ASN A 17 0.390 10.237 13.576 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.129 10.316 14.676 1.00 0.00 O ATOM 183 ND2 ASN A 17 1.573 10.782 13.376 1.00 0.00 N ATOM 0 H ASN A 17 -1.843 9.827 9.589 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.551 11.099 12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.960 8.737 12.828 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.508 8.908 11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.047 11.265 14.139 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.014 10.720 12.458 1.00 0.00 H new ATOM 187 N SER A 18 1.113 10.522 10.220 1.00 0.00 N ATOM 188 CA SER A 18 2.139 11.039 9.289 1.00 0.00 C ATOM 189 C SER A 18 1.818 10.476 7.886 1.00 0.00 C ATOM 190 O SER A 18 0.747 9.906 7.694 1.00 0.00 O ATOM 191 CB SER A 18 3.536 10.603 9.763 1.00 0.00 C ATOM 192 OG SER A 18 3.655 10.640 11.192 1.00 0.00 O ATOM 0 H SER A 18 1.353 9.611 10.612 1.00 0.00 H new ATOM 0 HA SER A 18 2.132 12.128 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.740 9.593 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.289 11.255 9.320 1.00 0.00 H new ATOM 0 HG SER A 18 4.556 10.355 11.453 1.00 0.00 H new ATOM 195 N GLU A 19 2.785 10.513 6.962 1.00 0.00 N ATOM 196 CA GLU A 19 2.651 10.092 5.547 1.00 0.00 C ATOM 197 C GLU A 19 1.510 10.756 4.754 1.00 0.00 C ATOM 198 O GLU A 19 0.329 10.545 5.006 1.00 0.00 O ATOM 199 CB GLU A 19 2.720 8.565 5.324 1.00 0.00 C ATOM 200 CG GLU A 19 1.648 7.641 5.922 1.00 0.00 C ATOM 201 CD GLU A 19 0.234 7.783 5.335 1.00 0.00 C ATOM 202 OE1 GLU A 19 0.068 7.404 4.155 1.00 0.00 O ATOM 203 OE2 GLU A 19 -0.688 8.115 6.108 1.00 0.00 O ATOM 0 H GLU A 19 3.723 10.849 7.180 1.00 0.00 H new ATOM 0 HA GLU A 19 3.559 10.502 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.725 8.397 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.684 8.227 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.972 6.609 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.595 7.825 6.995 1.00 0.00 H new ATOM 205 N ALA A 20 1.919 11.517 3.743 1.00 0.00 N ATOM 206 CA ALA A 20 1.008 12.291 2.871 1.00 0.00 C ATOM 207 C ALA A 20 1.701 12.721 1.564 1.00 0.00 C ATOM 208 O ALA A 20 1.870 11.867 0.699 1.00 0.00 O ATOM 209 CB ALA A 20 0.371 13.472 3.628 1.00 0.00 C ATOM 0 H ALA A 20 2.903 11.622 3.494 1.00 0.00 H new ATOM 0 HA ALA A 20 0.189 11.634 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.292 14.019 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.201 13.095 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.155 14.139 3.987 1.00 0.00 H new ATOM 211 N LYS A 21 2.364 13.883 1.558 1.00 0.00 N ATOM 212 CA LYS A 21 2.985 14.492 0.356 1.00 0.00 C ATOM 213 C LYS A 21 4.006 13.565 -0.326 1.00 0.00 C ATOM 214 O LYS A 21 3.630 12.874 -1.270 1.00 0.00 O ATOM 215 CB LYS A 21 3.625 15.864 0.634 1.00 0.00 C ATOM 216 CG LYS A 21 2.774 16.854 1.448 1.00 0.00 C ATOM 217 CD LYS A 21 2.932 16.645 2.961 1.00 0.00 C ATOM 218 CE LYS A 21 4.342 17.006 3.440 1.00 0.00 C ATOM 219 NZ LYS A 21 4.608 16.490 4.788 1.00 0.00 N ATOM 0 H LYS A 21 2.491 14.444 2.400 1.00 0.00 H new ATOM 0 HA LYS A 21 2.154 14.645 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.565 15.704 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.872 16.328 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.061 17.874 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.725 16.740 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.201 17.255 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.719 15.605 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.077 16.601 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.461 18.089 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.571 16.754 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.922 16.896 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.519 15.454 4.787 1.00 0.00 H new ATOM 224 N TYR A 22 5.198 13.410 0.272 1.00 0.00 N ATOM 225 CA TYR A 22 6.242 12.453 -0.173 1.00 0.00 C ATOM 226 C TYR A 22 5.684 11.052 -0.465 1.00 0.00 C ATOM 227 O TYR A 22 5.902 10.501 -1.539 1.00 0.00 O ATOM 228 CB TYR A 22 7.341 12.358 0.900 1.00 0.00 C ATOM 229 CG TYR A 22 8.349 11.208 0.708 1.00 0.00 C ATOM 230 CD1 TYR A 22 9.448 11.366 -0.126 1.00 0.00 C ATOM 231 CD2 TYR A 22 8.202 10.025 1.427 1.00 0.00 C ATOM 232 CE1 TYR A 22 10.406 10.364 -0.216 1.00 0.00 C ATOM 233 CE2 TYR A 22 9.171 9.033 1.357 1.00 0.00 C ATOM 234 CZ TYR A 22 10.285 9.207 0.546 1.00 0.00 C ATOM 235 OH TYR A 22 11.359 8.395 0.700 1.00 0.00 O ATOM 0 H TYR A 22 5.475 13.951 1.091 1.00 0.00 H new ATOM 0 HA TYR A 22 6.651 12.835 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.889 13.300 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.866 12.244 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.558 12.270 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.328 9.878 2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.249 10.484 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.058 8.126 1.933 1.00 0.00 H new ATOM 0 HH TYR A 22 11.419 8.106 1.635 1.00 0.00 H new ATOM 242 N TYR A 23 4.737 10.659 0.381 1.00 0.00 N ATOM 243 CA TYR A 23 4.143 9.324 0.342 1.00 0.00 C ATOM 244 C TYR A 23 3.369 9.101 -0.964 1.00 0.00 C ATOM 245 O TYR A 23 3.876 8.397 -1.833 1.00 0.00 O ATOM 246 CB TYR A 23 3.288 9.147 1.594 1.00 0.00 C ATOM 247 CG TYR A 23 3.276 7.681 2.005 1.00 0.00 C ATOM 248 CD1 TYR A 23 4.469 7.012 2.254 1.00 0.00 C ATOM 249 CD2 TYR A 23 2.066 7.015 2.080 1.00 0.00 C ATOM 250 CE1 TYR A 23 4.455 5.662 2.555 1.00 0.00 C ATOM 251 CE2 TYR A 23 2.049 5.673 2.407 1.00 0.00 C ATOM 252 CZ TYR A 23 3.238 5.004 2.639 1.00 0.00 C ATOM 253 OH TYR A 23 3.174 3.732 3.073 1.00 0.00 O ATOM 0 H TYR A 23 4.358 11.257 1.115 1.00 0.00 H new ATOM 0 HA TYR A 23 4.917 8.557 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.683 9.759 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.271 9.489 1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.407 7.546 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.142 7.540 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.379 5.128 2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.109 5.147 2.482 1.00 0.00 H new ATOM 0 HH TYR A 23 3.942 3.230 2.728 1.00 0.00 H new ATOM 260 N LEU A 24 2.329 9.903 -1.202 1.00 0.00 N ATOM 261 CA LEU A 24 1.567 9.865 -2.465 1.00 0.00 C ATOM 262 C LEU A 24 2.441 10.188 -3.691 1.00 0.00 C ATOM 263 O LEU A 24 2.485 9.380 -4.612 1.00 0.00 O ATOM 264 CB LEU A 24 0.305 10.743 -2.380 1.00 0.00 C ATOM 265 CG LEU A 24 0.503 12.264 -2.320 1.00 0.00 C ATOM 266 CD1 LEU A 24 0.466 12.890 -3.717 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.565 12.895 -1.425 1.00 0.00 C ATOM 0 H LEU A 24 1.988 10.594 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 24 1.230 8.839 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.320 10.519 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.256 10.442 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 24 1.488 12.460 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.609 13.968 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.261 12.463 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.499 12.686 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.417 13.974 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.554 12.678 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.486 12.483 -0.419 1.00 0.00 H new ATOM 269 N ASN A 25 3.355 11.145 -3.527 1.00 0.00 N ATOM 270 CA ASN A 25 4.296 11.589 -4.574 1.00 0.00 C ATOM 271 C ASN A 25 5.207 10.468 -5.121 1.00 0.00 C ATOM 272 O ASN A 25 5.855 10.655 -6.148 1.00 0.00 O ATOM 273 CB ASN A 25 5.121 12.748 -4.004 1.00 0.00 C ATOM 274 CG ASN A 25 5.650 13.699 -5.079 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.945 14.545 -5.607 1.00 0.00 O ATOM 276 ND2 ASN A 25 6.920 13.595 -5.401 1.00 0.00 N ATOM 0 H ASN A 25 3.470 11.648 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 25 3.713 11.910 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.507 13.311 -3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.962 12.344 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.323 14.223 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.503 12.886 -4.956 1.00 0.00 H new ATOM 280 N ILE A 26 5.424 9.422 -4.320 1.00 0.00 N ATOM 281 CA ILE A 26 6.125 8.213 -4.802 1.00 0.00 C ATOM 282 C ILE A 26 5.324 6.882 -4.791 1.00 0.00 C ATOM 283 O ILE A 26 5.714 5.944 -5.483 1.00 0.00 O ATOM 284 CB ILE A 26 7.549 8.021 -4.225 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.095 9.053 -3.212 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.522 7.753 -5.382 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.441 10.461 -3.728 1.00 0.00 C ATOM 0 H ILE A 26 5.131 9.380 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 26 6.230 8.457 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 26 7.455 7.158 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.358 9.161 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.994 8.633 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.529 7.616 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.216 6.852 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.514 8.600 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.811 11.070 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.209 10.388 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.548 10.924 -4.149 1.00 0.00 H new ATOM 289 N ILE A 27 4.259 6.762 -3.989 1.00 0.00 N ATOM 290 CA ILE A 27 3.406 5.540 -3.935 1.00 0.00 C ATOM 291 C ILE A 27 2.133 5.593 -4.811 1.00 0.00 C ATOM 292 O ILE A 27 1.645 4.557 -5.260 1.00 0.00 O ATOM 293 CB ILE A 27 3.134 5.142 -2.462 1.00 0.00 C ATOM 294 CG1 ILE A 27 3.073 3.619 -2.230 1.00 0.00 C ATOM 295 CG2 ILE A 27 2.000 5.907 -1.763 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.871 2.819 -2.744 1.00 0.00 C ATOM 0 H ILE A 27 3.954 7.501 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 27 3.979 4.739 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 27 4.031 5.489 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.968 3.186 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.140 3.451 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.897 5.549 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.232 6.972 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.066 5.744 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.999 1.767 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.959 3.195 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.799 2.926 -3.826 1.00 0.00 H new ATOM 298 N GLU A 28 1.584 6.791 -5.007 1.00 0.00 N ATOM 299 CA GLU A 28 0.394 7.013 -5.857 1.00 0.00 C ATOM 300 C GLU A 28 0.784 6.855 -7.335 1.00 0.00 C ATOM 301 O GLU A 28 1.359 7.741 -7.964 1.00 0.00 O ATOM 302 CB GLU A 28 -0.211 8.384 -5.531 1.00 0.00 C ATOM 303 CG GLU A 28 -1.308 8.852 -6.495 1.00 0.00 C ATOM 304 CD GLU A 28 -1.074 10.301 -6.944 1.00 0.00 C ATOM 305 OE1 GLU A 28 0.093 10.665 -7.212 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.080 11.043 -6.954 1.00 0.00 O ATOM 0 H GLU A 28 1.947 7.645 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.376 6.269 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.623 8.352 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.588 9.125 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.332 8.198 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.281 8.772 -6.009 1.00 0.00 H new ATOM 308 N GLY A 29 0.593 5.610 -7.772 1.00 0.00 N ATOM 309 CA GLY A 29 0.923 5.141 -9.130 1.00 0.00 C ATOM 310 C GLY A 29 1.315 3.666 -9.082 1.00 0.00 C ATOM 311 O GLY A 29 0.992 2.962 -8.119 1.00 0.00 O ATOM 0 H GLY A 29 0.196 4.878 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.067 5.279 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.742 5.732 -9.541 1.00 0.00 H new ATOM 313 N GLU A 30 2.119 3.260 -10.068 1.00 0.00 N ATOM 314 CA GLU A 30 2.472 1.847 -10.273 1.00 0.00 C ATOM 315 C GLU A 30 3.962 1.513 -10.267 1.00 0.00 C ATOM 316 O GLU A 30 4.779 2.099 -10.983 1.00 0.00 O ATOM 317 CB GLU A 30 1.786 1.254 -11.518 1.00 0.00 C ATOM 318 CG GLU A 30 2.066 1.988 -12.832 1.00 0.00 C ATOM 319 CD GLU A 30 1.414 1.246 -14.002 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.219 1.512 -14.250 1.00 0.00 O ATOM 321 OE2 GLU A 30 2.118 0.400 -14.596 1.00 0.00 O ATOM 0 H GLU A 30 2.543 3.895 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 30 2.081 1.366 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.101 0.216 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.709 1.244 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.680 3.006 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.141 2.063 -12.993 1.00 0.00 H new ATOM 323 N TRP A 31 4.257 0.462 -9.504 1.00 0.00 N ATOM 324 CA TRP A 31 5.594 -0.121 -9.340 1.00 0.00 C ATOM 325 C TRP A 31 6.020 -1.028 -10.492 1.00 0.00 C ATOM 326 O TRP A 31 5.706 -2.224 -10.540 1.00 0.00 O ATOM 327 CB TRP A 31 5.621 -0.875 -8.008 1.00 0.00 C ATOM 328 CG TRP A 31 5.644 0.140 -6.876 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.600 0.789 -6.344 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.784 0.601 -6.260 1.00 0.00 C ATOM 331 NE1 TRP A 31 5.036 1.613 -5.391 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.366 1.509 -5.307 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.138 0.332 -6.426 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.287 2.110 -4.488 1.00 0.00 C ATOM 335 CZ3 TRP A 31 9.069 0.986 -5.634 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.648 1.896 -4.679 1.00 0.00 C ATOM 0 H TRP A 31 3.546 -0.028 -8.961 1.00 0.00 H new ATOM 0 HA TRP A 31 6.319 0.693 -9.345 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.746 -1.520 -7.920 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.498 -1.520 -7.956 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.569 0.665 -6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.451 2.223 -4.820 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.463 -0.383 -7.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.953 2.755 -3.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.123 0.786 -5.762 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.372 2.436 -4.086 1.00 0.00 H new ATOM 344 N HIS A 32 6.695 -0.411 -11.468 1.00 0.00 N ATOM 345 CA HIS A 32 7.090 -1.098 -12.702 1.00 0.00 C ATOM 346 C HIS A 32 8.145 -0.362 -13.539 1.00 0.00 C ATOM 347 O HIS A 32 7.919 0.817 -13.823 1.00 0.00 O ATOM 348 CB HIS A 32 5.830 -1.276 -13.559 1.00 0.00 C ATOM 349 CG HIS A 32 5.716 -2.713 -14.051 1.00 0.00 C ATOM 350 ND1 HIS A 32 6.158 -3.805 -13.434 1.00 0.00 N ATOM 351 CD2 HIS A 32 5.305 -3.055 -15.262 1.00 0.00 C ATOM 352 CE1 HIS A 32 6.056 -4.818 -14.290 1.00 0.00 C ATOM 353 NE2 HIS A 32 5.529 -4.353 -15.425 1.00 0.00 N ATOM 0 H HIS A 32 6.980 0.567 -11.426 1.00 0.00 H new ATOM 0 HA HIS A 32 7.547 -2.042 -12.404 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.947 -1.014 -12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.863 -0.596 -14.410 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.511 -3.856 -12.478 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.864 -2.392 -15.992 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.349 -5.840 -14.100 1.00 0.00 H new ATOM 356 N PRO A 33 9.114 -1.103 -14.119 1.00 0.00 N ATOM 357 CA PRO A 33 10.144 -0.564 -15.019 1.00 0.00 C ATOM 358 C PRO A 33 9.582 0.149 -16.261 1.00 0.00 C ATOM 359 O PRO A 33 9.391 1.362 -16.244 1.00 0.00 O ATOM 360 CB PRO A 33 11.083 -1.745 -15.323 1.00 0.00 C ATOM 361 CG PRO A 33 10.210 -2.973 -15.078 1.00 0.00 C ATOM 362 CD PRO A 33 9.346 -2.547 -13.891 1.00 0.00 C ATOM 0 HA PRO A 33 10.696 0.247 -14.544 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.449 -1.712 -16.349 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.958 -1.739 -14.672 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.605 -3.219 -15.951 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.808 -3.854 -14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.408 -3.102 -13.860 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.854 -2.725 -12.943 1.00 0.00 H new ATOM 363 N GLN A 34 9.335 -0.596 -17.341 1.00 0.00 N ATOM 364 CA GLN A 34 8.773 -0.038 -18.586 1.00 0.00 C ATOM 365 C GLN A 34 7.537 -0.805 -19.096 1.00 0.00 C ATOM 366 O GLN A 34 7.385 -1.084 -20.284 1.00 0.00 O ATOM 367 CB GLN A 34 9.880 0.019 -19.651 1.00 0.00 C ATOM 368 CG GLN A 34 10.983 1.023 -19.304 1.00 0.00 C ATOM 369 CD GLN A 34 12.348 0.336 -19.329 1.00 0.00 C ATOM 370 OE1 GLN A 34 12.811 -0.241 -18.355 1.00 0.00 O ATOM 371 NE2 GLN A 34 12.975 0.322 -20.484 1.00 0.00 N ATOM 0 H GLN A 34 9.516 -1.599 -17.383 1.00 0.00 H new ATOM 0 HA GLN A 34 8.414 0.968 -18.370 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.319 -0.972 -19.766 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.440 0.286 -20.612 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.970 1.849 -20.015 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.800 1.449 -18.318 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.576 0.808 -21.287 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.861 -0.175 -20.577 1.00 0.00 H new ATOM 375 N ASP A 35 6.629 -1.110 -18.166 1.00 0.00 N ATOM 376 CA ASP A 35 5.436 -1.955 -18.410 1.00 0.00 C ATOM 377 C ASP A 35 5.717 -3.313 -19.094 1.00 0.00 C ATOM 378 O ASP A 35 5.118 -3.662 -20.109 1.00 0.00 O ATOM 379 CB ASP A 35 4.328 -1.152 -19.112 1.00 0.00 C ATOM 380 CG ASP A 35 3.550 -0.296 -18.112 1.00 0.00 C ATOM 381 OD1 ASP A 35 4.060 0.793 -17.772 1.00 0.00 O ATOM 382 OD2 ASP A 35 2.524 -0.813 -17.619 1.00 0.00 O ATOM 0 H ASP A 35 6.694 -0.776 -17.204 1.00 0.00 H new ATOM 0 HA ASP A 35 5.078 -2.243 -17.422 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.767 -0.513 -19.878 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.646 -1.834 -19.619 1.00 0.00 H new ATOM 384 N LEU A 36 6.357 -4.180 -18.314 1.00 0.00 N ATOM 385 CA LEU A 36 6.757 -5.538 -18.749 1.00 0.00 C ATOM 386 C LEU A 36 5.926 -6.706 -18.172 1.00 0.00 C ATOM 387 O LEU A 36 6.275 -7.873 -18.339 1.00 0.00 O ATOM 388 CB LEU A 36 8.258 -5.731 -18.488 1.00 0.00 C ATOM 389 CG LEU A 36 9.090 -5.563 -19.766 1.00 0.00 C ATOM 390 CD1 LEU A 36 10.567 -5.390 -19.408 1.00 0.00 C ATOM 391 CD2 LEU A 36 8.936 -6.787 -20.678 1.00 0.00 C ATOM 0 H LEU A 36 6.620 -3.969 -17.351 1.00 0.00 H new ATOM 0 HA LEU A 36 6.541 -5.583 -19.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.592 -5.011 -17.741 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.429 -6.724 -18.072 1.00 0.00 H new ATOM 0 HG LEU A 36 8.730 -4.679 -20.292 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.151 -5.271 -20.321 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.689 -4.506 -18.782 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.915 -6.269 -18.866 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.534 -6.647 -21.579 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.276 -7.678 -20.151 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.888 -6.906 -20.953 1.00 0.00 H new ATOM 393 N ASN A 37 4.967 -6.363 -17.316 1.00 0.00 N ATOM 394 CA ASN A 37 3.909 -7.280 -16.836 1.00 0.00 C ATOM 395 C ASN A 37 2.464 -6.801 -17.044 1.00 0.00 C ATOM 396 O ASN A 37 1.534 -7.579 -16.835 1.00 0.00 O ATOM 397 CB ASN A 37 4.105 -7.605 -15.351 1.00 0.00 C ATOM 398 CG ASN A 37 4.787 -8.955 -15.128 1.00 0.00 C ATOM 399 OD1 ASN A 37 5.672 -9.101 -14.298 1.00 0.00 O ATOM 400 ND2 ASN A 37 4.236 -10.003 -15.701 1.00 0.00 N ATOM 0 H ASN A 37 4.892 -5.425 -16.923 1.00 0.00 H new ATOM 0 HA ASN A 37 4.029 -8.164 -17.462 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.702 -6.820 -14.887 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.136 -7.605 -14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.547 -10.942 -15.453 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.498 -9.876 -16.393 1.00 0.00 H new ATOM 404 N ASP A 38 2.287 -5.501 -17.302 1.00 0.00 N ATOM 405 CA ASP A 38 0.975 -4.823 -17.472 1.00 0.00 C ATOM 406 C ASP A 38 -0.039 -5.015 -16.320 1.00 0.00 C ATOM 407 O ASP A 38 -1.245 -4.868 -16.503 1.00 0.00 O ATOM 408 CB ASP A 38 0.353 -5.142 -18.848 1.00 0.00 C ATOM 409 CG ASP A 38 0.114 -6.634 -19.125 1.00 0.00 C ATOM 410 OD1 ASP A 38 -0.953 -7.135 -18.711 1.00 0.00 O ATOM 411 OD2 ASP A 38 1.024 -7.239 -19.734 1.00 0.00 O ATOM 0 H ASP A 38 3.074 -4.860 -17.404 1.00 0.00 H new ATOM 0 HA ASP A 38 1.213 -3.760 -17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.598 -4.616 -18.930 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.005 -4.744 -19.625 1.00 0.00 H new ATOM 413 N SER A 39 0.497 -5.161 -15.108 1.00 0.00 N ATOM 414 CA SER A 39 -0.271 -5.563 -13.900 1.00 0.00 C ATOM 415 C SER A 39 0.469 -5.347 -12.549 1.00 0.00 C ATOM 416 O SER A 39 0.503 -6.232 -11.689 1.00 0.00 O ATOM 417 CB SER A 39 -0.660 -7.036 -14.084 1.00 0.00 C ATOM 418 OG SER A 39 0.521 -7.805 -14.344 1.00 0.00 O ATOM 0 H SER A 39 1.488 -5.005 -14.921 1.00 0.00 H new ATOM 0 HA SER A 39 -1.143 -4.913 -13.825 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.161 -7.407 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.364 -7.138 -14.909 1.00 0.00 H new ATOM 0 HG SER A 39 0.728 -7.773 -15.301 1.00 0.00 H new ATOM 421 N PRO A 40 1.031 -4.150 -12.311 1.00 0.00 N ATOM 422 CA PRO A 40 1.938 -3.892 -11.173 1.00 0.00 C ATOM 423 C PRO A 40 1.171 -3.651 -9.854 1.00 0.00 C ATOM 424 O PRO A 40 0.030 -4.081 -9.680 1.00 0.00 O ATOM 425 CB PRO A 40 2.723 -2.643 -11.609 1.00 0.00 C ATOM 426 CG PRO A 40 2.289 -2.361 -13.046 1.00 0.00 C ATOM 427 CD PRO A 40 0.872 -2.914 -13.093 1.00 0.00 C ATOM 0 HA PRO A 40 2.583 -4.744 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.502 -1.796 -10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.798 -2.816 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.314 -1.295 -13.273 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.939 -2.856 -13.768 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.148 -2.233 -12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.539 -3.110 -14.112 1.00 0.00 H new ATOM 428 N LEU A 41 1.843 -2.958 -8.937 1.00 0.00 N ATOM 429 CA LEU A 41 1.264 -2.429 -7.692 1.00 0.00 C ATOM 430 C LEU A 41 0.936 -0.944 -7.889 1.00 0.00 C ATOM 431 O LEU A 41 1.834 -0.135 -8.110 1.00 0.00 O ATOM 432 CB LEU A 41 2.245 -2.726 -6.538 1.00 0.00 C ATOM 433 CG LEU A 41 2.552 -1.636 -5.496 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.359 -1.187 -4.653 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.654 -2.143 -4.577 1.00 0.00 C ATOM 0 H LEU A 41 2.834 -2.740 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 41 0.322 -2.910 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.861 -3.592 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.193 -3.024 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 41 2.854 -0.754 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.679 -0.418 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.584 -0.783 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.962 -2.039 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.885 -1.382 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.321 -3.052 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.547 -2.358 -5.164 1.00 0.00 H new ATOM 437 N LYS A 42 -0.359 -0.689 -8.020 1.00 0.00 N ATOM 438 CA LYS A 42 -0.900 0.675 -8.145 1.00 0.00 C ATOM 439 C LYS A 42 -1.923 1.059 -7.076 1.00 0.00 C ATOM 440 O LYS A 42 -2.811 0.296 -6.696 1.00 0.00 O ATOM 441 CB LYS A 42 -1.373 1.008 -9.566 1.00 0.00 C ATOM 442 CG LYS A 42 -2.238 -0.056 -10.244 1.00 0.00 C ATOM 443 CD LYS A 42 -2.004 0.063 -11.748 1.00 0.00 C ATOM 444 CE LYS A 42 -2.698 -1.048 -12.533 1.00 0.00 C ATOM 445 NZ LYS A 42 -2.208 -1.048 -13.918 1.00 0.00 N ATOM 0 H LYS A 42 -1.072 -1.418 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.043 1.318 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.936 1.940 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.496 1.188 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.970 -1.052 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.291 0.095 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.367 1.031 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.933 0.033 -11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.503 -2.014 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.778 -0.899 -12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.589 -1.875 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.519 -0.178 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.169 -1.091 -13.919 1.00 0.00 H new ATOM 450 N PHE A 43 -1.594 2.195 -6.481 1.00 0.00 N ATOM 451 CA PHE A 43 -2.375 2.816 -5.401 1.00 0.00 C ATOM 452 C PHE A 43 -2.849 4.233 -5.756 1.00 0.00 C ATOM 453 O PHE A 43 -2.086 5.068 -6.244 1.00 0.00 O ATOM 454 CB PHE A 43 -1.514 2.754 -4.134 1.00 0.00 C ATOM 455 CG PHE A 43 -1.873 3.766 -3.045 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.792 3.475 -2.046 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.218 4.989 -3.059 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.032 4.408 -1.047 1.00 0.00 C ATOM 459 CE2 PHE A 43 -1.473 5.929 -2.076 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.377 5.636 -1.066 1.00 0.00 C ATOM 0 H PHE A 43 -0.762 2.728 -6.734 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.304 2.271 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.589 1.751 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.472 2.904 -4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.316 2.531 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.506 5.208 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.728 4.181 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.971 6.885 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.573 6.363 -0.292 1.00 0.00 H new ATOM 467 N ILE A 44 -4.118 4.451 -5.437 1.00 0.00 N ATOM 468 CA ILE A 44 -4.814 5.748 -5.581 1.00 0.00 C ATOM 469 C ILE A 44 -5.288 6.341 -4.244 1.00 0.00 C ATOM 470 O ILE A 44 -5.188 5.716 -3.187 1.00 0.00 O ATOM 471 CB ILE A 44 -5.960 5.744 -6.618 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.911 4.528 -6.609 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.423 6.158 -7.994 1.00 0.00 C ATOM 474 CD1 ILE A 44 -6.410 3.221 -7.244 1.00 0.00 C ATOM 0 H ILE A 44 -4.719 3.718 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.041 6.407 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.665 6.508 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.175 4.317 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.830 4.818 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.237 6.153 -8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.999 7.160 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.651 5.456 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.184 2.457 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.178 3.393 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.513 2.885 -6.724 1.00 0.00 H new ATOM 476 N LEU A 45 -5.839 7.551 -4.330 1.00 0.00 N ATOM 477 CA LEU A 45 -6.237 8.368 -3.167 1.00 0.00 C ATOM 478 C LEU A 45 -7.724 8.727 -3.301 1.00 0.00 C ATOM 479 O LEU A 45 -8.132 9.221 -4.351 1.00 0.00 O ATOM 480 CB LEU A 45 -5.432 9.676 -3.168 1.00 0.00 C ATOM 481 CG LEU A 45 -3.909 9.512 -3.260 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.304 10.827 -3.750 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.292 9.153 -1.908 1.00 0.00 C ATOM 0 H LEU A 45 -6.028 8.006 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.054 7.810 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.766 10.287 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.667 10.228 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.695 8.698 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.221 10.725 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.710 11.071 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.549 11.624 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.213 9.046 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.507 9.943 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.715 8.214 -1.553 1.00 0.00 H new ATOM 485 N SER A 46 -8.480 8.491 -2.226 1.00 0.00 N ATOM 486 CA SER A 46 -9.929 8.787 -2.103 1.00 0.00 C ATOM 487 C SER A 46 -10.812 7.950 -3.043 1.00 0.00 C ATOM 488 O SER A 46 -10.389 7.533 -4.119 1.00 0.00 O ATOM 489 CB SER A 46 -10.241 10.277 -2.315 1.00 0.00 C ATOM 490 OG SER A 46 -11.504 10.592 -1.720 1.00 0.00 O ATOM 0 H SER A 46 -8.095 8.073 -1.379 1.00 0.00 H new ATOM 0 HA SER A 46 -10.174 8.509 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.456 10.890 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.262 10.507 -3.380 1.00 0.00 H new ATOM 0 HG SER A 46 -11.701 11.543 -1.854 1.00 0.00 H new ATOM 493 N THR A 47 -12.059 7.776 -2.609 1.00 0.00 N ATOM 494 CA THR A 47 -13.086 6.961 -3.301 1.00 0.00 C ATOM 495 C THR A 47 -14.459 7.351 -2.732 1.00 0.00 C ATOM 496 O THR A 47 -14.621 7.413 -1.512 1.00 0.00 O ATOM 497 CB THR A 47 -12.914 5.441 -3.079 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.544 5.033 -3.103 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.661 4.633 -4.144 1.00 0.00 C ATOM 0 H THR A 47 -12.403 8.202 -1.748 1.00 0.00 H new ATOM 0 HA THR A 47 -12.989 7.157 -4.369 1.00 0.00 H new ATOM 0 HB THR A 47 -13.329 5.244 -2.090 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.316 4.603 -2.253 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.519 3.568 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.724 4.870 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.272 4.884 -5.131 1.00 0.00 H new ATOM 502 N SER A 48 -15.454 7.312 -3.617 1.00 0.00 N ATOM 503 CA SER A 48 -16.860 7.724 -3.400 1.00 0.00 C ATOM 504 C SER A 48 -17.453 7.419 -2.014 1.00 0.00 C ATOM 505 O SER A 48 -17.834 8.337 -1.291 1.00 0.00 O ATOM 506 CB SER A 48 -17.763 7.082 -4.464 1.00 0.00 C ATOM 507 OG SER A 48 -17.169 7.200 -5.761 1.00 0.00 O ATOM 0 H SER A 48 -15.301 6.973 -4.567 1.00 0.00 H new ATOM 0 HA SER A 48 -16.831 8.811 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.925 6.031 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.740 7.564 -4.460 1.00 0.00 H new ATOM 0 HG SER A 48 -17.755 6.785 -6.428 1.00 0.00 H new ATOM 510 N ASP A 49 -17.414 6.150 -1.606 1.00 0.00 N ATOM 511 CA ASP A 49 -18.011 5.719 -0.328 1.00 0.00 C ATOM 512 C ASP A 49 -16.912 5.287 0.657 1.00 0.00 C ATOM 513 O ASP A 49 -16.521 4.123 0.687 1.00 0.00 O ATOM 514 CB ASP A 49 -19.005 4.586 -0.623 1.00 0.00 C ATOM 515 CG ASP A 49 -19.954 4.320 0.549 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.555 3.553 1.448 1.00 0.00 O ATOM 517 OD2 ASP A 49 -21.055 4.910 0.515 1.00 0.00 O ATOM 0 H ASP A 49 -16.976 5.398 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.546 6.542 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.588 4.840 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.454 3.674 -0.855 1.00 0.00 H new ATOM 519 N ASP A 50 -16.286 6.301 1.261 1.00 0.00 N ATOM 520 CA ASP A 50 -15.236 6.175 2.307 1.00 0.00 C ATOM 521 C ASP A 50 -14.021 5.295 1.936 1.00 0.00 C ATOM 522 O ASP A 50 -13.183 4.988 2.786 1.00 0.00 O ATOM 523 CB ASP A 50 -15.858 5.675 3.622 1.00 0.00 C ATOM 524 CG ASP A 50 -16.868 6.664 4.207 1.00 0.00 C ATOM 525 OD1 ASP A 50 -18.038 6.609 3.767 1.00 0.00 O ATOM 526 OD2 ASP A 50 -16.436 7.498 5.033 1.00 0.00 O ATOM 0 H ASP A 50 -16.496 7.273 1.035 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.833 7.182 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.351 4.719 3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.066 5.496 4.350 1.00 0.00 H new ATOM 528 N SER A 51 -13.797 5.169 0.627 1.00 0.00 N ATOM 529 CA SER A 51 -12.868 4.199 0.002 1.00 0.00 C ATOM 530 C SER A 51 -13.099 2.728 0.396 1.00 0.00 C ATOM 531 O SER A 51 -13.838 2.392 1.316 1.00 0.00 O ATOM 532 CB SER A 51 -11.410 4.597 0.247 1.00 0.00 C ATOM 533 OG SER A 51 -10.527 3.938 -0.670 1.00 0.00 O ATOM 0 H SER A 51 -14.270 5.756 -0.060 1.00 0.00 H new ATOM 0 HA SER A 51 -13.091 4.250 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.304 5.677 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.129 4.345 1.270 1.00 0.00 H new ATOM 0 HG SER A 51 -9.708 4.466 -0.772 1.00 0.00 H new ATOM 536 N ASP A 52 -12.462 1.856 -0.380 1.00 0.00 N ATOM 537 CA ASP A 52 -12.460 0.392 -0.175 1.00 0.00 C ATOM 538 C ASP A 52 -11.536 -0.036 0.991 1.00 0.00 C ATOM 539 O ASP A 52 -11.675 -1.127 1.542 1.00 0.00 O ATOM 540 CB ASP A 52 -12.020 -0.241 -1.499 1.00 0.00 C ATOM 541 CG ASP A 52 -12.545 -1.666 -1.688 1.00 0.00 C ATOM 542 OD1 ASP A 52 -11.849 -2.591 -1.214 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.556 -1.815 -2.404 1.00 0.00 O ATOM 0 H ASP A 52 -11.916 2.145 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.457 0.052 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.367 0.380 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.931 -0.252 -1.545 1.00 0.00 H new ATOM 545 N TYR A 53 -10.554 0.818 1.288 1.00 0.00 N ATOM 546 CA TYR A 53 -9.520 0.586 2.313 1.00 0.00 C ATOM 547 C TYR A 53 -9.540 1.656 3.415 1.00 0.00 C ATOM 548 O TYR A 53 -9.362 2.845 3.149 1.00 0.00 O ATOM 549 CB TYR A 53 -8.148 0.625 1.644 1.00 0.00 C ATOM 550 CG TYR A 53 -7.526 -0.729 1.320 1.00 0.00 C ATOM 551 CD1 TYR A 53 -7.235 -1.618 2.346 1.00 0.00 C ATOM 552 CD2 TYR A 53 -7.067 -0.983 0.034 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.496 -2.762 2.092 1.00 0.00 C ATOM 554 CE2 TYR A 53 -6.350 -2.141 -0.230 1.00 0.00 C ATOM 555 CZ TYR A 53 -6.063 -3.028 0.801 1.00 0.00 C ATOM 556 OH TYR A 53 -5.361 -4.163 0.555 1.00 0.00 O ATOM 0 H TYR A 53 -10.449 1.715 0.813 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.723 -0.382 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.233 1.195 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.464 1.171 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.587 -1.417 3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.268 -0.279 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.258 -3.444 2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.015 -2.353 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.693 -3.990 -0.141 1.00 0.00 H new ATOM 563 N ILE A 54 -9.488 1.159 4.644 1.00 0.00 N ATOM 564 CA ILE A 54 -9.523 1.991 5.865 1.00 0.00 C ATOM 565 C ILE A 54 -8.216 1.865 6.668 1.00 0.00 C ATOM 566 O ILE A 54 -7.836 0.777 7.102 1.00 0.00 O ATOM 567 CB ILE A 54 -10.801 1.709 6.694 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.827 2.552 7.982 1.00 0.00 C ATOM 569 CG2 ILE A 54 -11.025 0.209 6.952 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.181 2.591 8.701 1.00 0.00 C ATOM 0 H ILE A 54 -9.420 0.159 4.835 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.584 3.039 5.573 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.652 2.024 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.078 2.161 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.533 3.572 7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.934 0.072 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.124 -0.313 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.176 -0.196 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.100 3.208 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.934 3.013 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.472 1.579 8.983 1.00 0.00 H new ATOM 572 N CYS A 55 -7.455 2.957 6.671 1.00 0.00 N ATOM 573 CA CYS A 55 -6.216 3.043 7.467 1.00 0.00 C ATOM 574 C CYS A 55 -6.563 3.200 8.952 1.00 0.00 C ATOM 575 O CYS A 55 -7.452 3.973 9.305 1.00 0.00 O ATOM 576 CB CYS A 55 -5.293 4.168 6.965 1.00 0.00 C ATOM 577 SG CYS A 55 -5.827 5.883 7.319 1.00 0.00 S ATOM 0 H CYS A 55 -7.668 3.798 6.134 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.657 2.115 7.344 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.306 4.021 7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.181 4.061 5.886 1.00 0.00 H new ATOM 579 N LYS A 56 -5.976 2.327 9.762 1.00 0.00 N ATOM 580 CA LYS A 56 -6.117 2.400 11.231 1.00 0.00 C ATOM 581 C LYS A 56 -5.093 3.397 11.808 1.00 0.00 C ATOM 582 O LYS A 56 -5.431 4.306 12.559 1.00 0.00 O ATOM 583 CB LYS A 56 -5.863 1.012 11.840 1.00 0.00 C ATOM 584 CG LYS A 56 -6.621 0.708 13.142 1.00 0.00 C ATOM 585 CD LYS A 56 -6.463 1.760 14.247 1.00 0.00 C ATOM 586 CE LYS A 56 -6.872 1.235 15.623 1.00 0.00 C ATOM 587 NZ LYS A 56 -5.796 0.411 16.192 1.00 0.00 N ATOM 0 H LYS A 56 -5.395 1.555 9.436 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.126 2.733 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.130 0.257 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.795 0.909 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.681 0.602 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.281 -0.254 13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.425 2.091 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.068 2.633 14.001 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.091 2.070 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.785 0.646 15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.205 -0.307 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.276 -0.059 15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.144 1.016 16.732 1.00 0.00 H new ATOM 592 N TYR A 57 -3.880 3.288 11.279 1.00 0.00 N ATOM 593 CA TYR A 57 -2.661 3.939 11.782 1.00 0.00 C ATOM 594 C TYR A 57 -1.553 3.824 10.730 1.00 0.00 C ATOM 595 O TYR A 57 -1.736 3.225 9.665 1.00 0.00 O ATOM 596 CB TYR A 57 -2.204 3.316 13.116 1.00 0.00 C ATOM 597 CG TYR A 57 -2.014 1.790 13.217 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.118 0.913 12.138 1.00 0.00 C ATOM 599 CD2 TYR A 57 -1.751 1.266 14.478 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.987 -0.454 12.330 1.00 0.00 C ATOM 601 CE2 TYR A 57 -1.591 -0.100 14.669 1.00 0.00 C ATOM 602 CZ TYR A 57 -1.706 -0.963 13.588 1.00 0.00 C ATOM 603 OH TYR A 57 -1.486 -2.295 13.728 1.00 0.00 O ATOM 0 H TYR A 57 -3.704 2.720 10.451 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.879 4.991 11.968 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.256 3.781 13.386 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.929 3.606 13.877 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.302 1.301 11.147 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.670 1.933 15.323 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.105 -1.127 11.493 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.378 -0.489 15.654 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.301 -2.499 14.668 1.00 0.00 H new ATOM 610 N ILE A 58 -0.474 4.550 10.976 1.00 0.00 N ATOM 611 CA ILE A 58 0.695 4.519 10.080 1.00 0.00 C ATOM 612 C ILE A 58 1.964 4.168 10.864 1.00 0.00 C ATOM 613 O ILE A 58 2.096 4.505 12.041 1.00 0.00 O ATOM 614 CB ILE A 58 0.816 5.819 9.254 1.00 0.00 C ATOM 615 CG1 ILE A 58 1.151 7.077 10.057 1.00 0.00 C ATOM 616 CG2 ILE A 58 -0.442 6.048 8.416 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.661 7.247 10.233 1.00 0.00 C ATOM 0 H ILE A 58 -0.373 5.168 11.781 1.00 0.00 H new ATOM 0 HA ILE A 58 0.553 3.725 9.347 1.00 0.00 H new ATOM 0 HB ILE A 58 1.678 5.654 8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.742 7.952 9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.674 7.023 11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.335 6.969 7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.582 5.210 7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.308 6.129 9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.861 8.151 10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.065 6.384 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.135 7.327 9.255 1.00 0.00 H new ATOM 619 N ASN A 59 2.951 3.698 10.117 1.00 0.00 N ATOM 620 CA ASN A 59 4.255 3.331 10.685 1.00 0.00 C ATOM 621 C ASN A 59 5.182 4.549 10.593 1.00 0.00 C ATOM 622 O ASN A 59 5.595 4.978 9.511 1.00 0.00 O ATOM 623 CB ASN A 59 4.824 2.142 9.916 1.00 0.00 C ATOM 624 CG ASN A 59 5.457 1.075 10.806 1.00 0.00 C ATOM 625 OD1 ASN A 59 5.889 1.312 11.926 1.00 0.00 O ATOM 626 ND2 ASN A 59 5.666 -0.088 10.236 1.00 0.00 N ATOM 0 H ASN A 59 2.880 3.558 9.109 1.00 0.00 H new ATOM 0 HA ASN A 59 4.156 3.039 11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.026 1.686 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.572 2.503 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.195 -0.809 10.727 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.300 -0.271 9.302 1.00 0.00 H new ATOM 630 N THR A 60 5.379 5.160 11.756 1.00 0.00 N ATOM 631 CA THR A 60 6.220 6.364 11.962 1.00 0.00 C ATOM 632 C THR A 60 7.731 6.183 11.722 1.00 0.00 C ATOM 633 O THR A 60 8.494 7.121 11.936 1.00 0.00 O ATOM 634 CB THR A 60 6.015 6.918 13.382 1.00 0.00 C ATOM 635 OG1 THR A 60 6.005 5.839 14.324 1.00 0.00 O ATOM 636 CG2 THR A 60 4.752 7.775 13.482 1.00 0.00 C ATOM 0 H THR A 60 4.949 4.830 12.620 1.00 0.00 H new ATOM 0 HA THR A 60 5.878 7.059 11.195 1.00 0.00 H new ATOM 0 HB THR A 60 6.849 7.578 13.621 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.876 6.195 15.228 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.644 8.147 14.501 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.829 8.617 12.795 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.882 7.172 13.222 1.00 0.00 H new ATOM 639 N GLU A 61 8.081 5.113 11.009 1.00 0.00 N ATOM 640 CA GLU A 61 9.473 4.726 10.700 1.00 0.00 C ATOM 641 C GLU A 61 10.234 5.800 9.902 1.00 0.00 C ATOM 642 O GLU A 61 11.301 6.227 10.332 1.00 0.00 O ATOM 643 CB GLU A 61 9.524 3.358 10.001 1.00 0.00 C ATOM 644 CG GLU A 61 8.960 2.243 10.890 1.00 0.00 C ATOM 645 CD GLU A 61 9.406 0.846 10.447 1.00 0.00 C ATOM 646 OE1 GLU A 61 8.723 0.265 9.577 1.00 0.00 O ATOM 647 OE2 GLU A 61 10.434 0.390 10.987 1.00 0.00 O ATOM 0 H GLU A 61 7.393 4.470 10.617 1.00 0.00 H new ATOM 0 HA GLU A 61 9.991 4.639 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.957 3.404 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.555 3.124 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.276 2.411 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.871 2.292 10.879 1.00 0.00 H new ATOM 649 N HIS A 62 9.690 6.163 8.733 1.00 0.00 N ATOM 650 CA HIS A 62 10.185 7.267 7.866 1.00 0.00 C ATOM 651 C HIS A 62 9.222 7.599 6.694 1.00 0.00 C ATOM 652 O HIS A 62 9.642 8.191 5.705 1.00 0.00 O ATOM 653 CB HIS A 62 11.604 6.893 7.376 1.00 0.00 C ATOM 654 CG HIS A 62 12.334 7.916 6.496 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.515 7.819 5.182 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.835 9.085 6.889 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.113 8.929 4.762 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.315 9.712 5.818 1.00 0.00 N ATOM 0 H HIS A 62 8.873 5.692 8.345 1.00 0.00 H new ATOM 0 HA HIS A 62 10.227 8.186 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.223 6.698 8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.534 5.958 6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.849 9.460 7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.387 9.156 3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.759 10.630 5.809 1.00 0.00 H new ATOM 661 N LYS A 63 7.920 7.350 6.902 1.00 0.00 N ATOM 662 CA LYS A 63 6.788 7.397 5.928 1.00 0.00 C ATOM 663 C LYS A 63 6.311 6.004 5.471 1.00 0.00 C ATOM 664 O LYS A 63 6.761 5.452 4.469 1.00 0.00 O ATOM 665 CB LYS A 63 6.970 8.284 4.676 1.00 0.00 C ATOM 666 CG LYS A 63 6.335 9.681 4.737 1.00 0.00 C ATOM 667 CD LYS A 63 6.946 10.681 5.730 1.00 0.00 C ATOM 668 CE LYS A 63 8.393 11.104 5.441 1.00 0.00 C ATOM 669 NZ LYS A 63 8.605 11.716 4.120 1.00 0.00 N ATOM 0 H LYS A 63 7.591 7.087 7.831 1.00 0.00 H new ATOM 0 HA LYS A 63 6.027 7.882 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.038 8.401 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.554 7.756 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.385 10.120 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.279 9.563 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.322 11.575 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.907 10.244 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.710 11.810 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.037 10.229 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.588 12.046 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.418 11.012 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.959 12.523 4.003 1.00 0.00 H new ATOM 674 N GLN A 64 5.364 5.459 6.231 1.00 0.00 N ATOM 675 CA GLN A 64 4.706 4.165 5.941 1.00 0.00 C ATOM 676 C GLN A 64 3.274 4.171 6.499 1.00 0.00 C ATOM 677 O GLN A 64 3.028 4.791 7.532 1.00 0.00 O ATOM 678 CB GLN A 64 5.554 3.052 6.571 1.00 0.00 C ATOM 679 CG GLN A 64 4.978 1.635 6.452 1.00 0.00 C ATOM 680 CD GLN A 64 6.011 0.544 6.736 1.00 0.00 C ATOM 681 OE1 GLN A 64 6.937 0.698 7.515 1.00 0.00 O ATOM 682 NE2 GLN A 64 5.837 -0.617 6.142 1.00 0.00 N ATOM 0 H GLN A 64 5.019 5.903 7.082 1.00 0.00 H new ATOM 0 HA GLN A 64 4.634 3.996 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.541 3.064 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.695 3.280 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.145 1.528 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.577 1.495 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.063 -0.746 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.476 -1.388 6.333 1.00 0.00 H new ATOM 686 N LEU A 65 2.358 3.517 5.792 1.00 0.00 N ATOM 687 CA LEU A 65 0.946 3.419 6.213 1.00 0.00 C ATOM 688 C LEU A 65 0.461 1.981 6.483 1.00 0.00 C ATOM 689 O LEU A 65 1.153 1.013 6.156 1.00 0.00 O ATOM 690 CB LEU A 65 0.101 4.215 5.197 1.00 0.00 C ATOM 691 CG LEU A 65 -0.625 3.574 4.001 1.00 0.00 C ATOM 692 CD1 LEU A 65 0.149 2.488 3.248 1.00 0.00 C ATOM 693 CD2 LEU A 65 -2.026 3.155 4.428 1.00 0.00 C ATOM 0 H LEU A 65 2.562 3.039 4.914 1.00 0.00 H new ATOM 0 HA LEU A 65 0.826 3.869 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.663 4.735 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.760 4.977 4.782 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.703 4.344 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.460 2.110 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.072 2.909 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.387 1.671 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.543 2.700 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.958 2.434 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.581 4.031 4.765 1.00 0.00 H new ATOM 695 N THR A 66 -0.597 1.876 7.288 1.00 0.00 N ATOM 696 CA THR A 66 -1.243 0.575 7.568 1.00 0.00 C ATOM 697 C THR A 66 -2.776 0.657 7.484 1.00 0.00 C ATOM 698 O THR A 66 -3.442 1.250 8.337 1.00 0.00 O ATOM 699 CB THR A 66 -0.816 0.019 8.934 1.00 0.00 C ATOM 700 OG1 THR A 66 0.591 0.222 9.111 1.00 0.00 O ATOM 701 CG2 THR A 66 -1.128 -1.478 9.026 1.00 0.00 C ATOM 0 H THR A 66 -1.030 2.669 7.761 1.00 0.00 H new ATOM 0 HA THR A 66 -0.904 -0.111 6.792 1.00 0.00 H new ATOM 0 HB THR A 66 -1.369 0.542 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.865 -0.131 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.819 -1.855 10.001 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.199 -1.635 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.588 -2.011 8.243 1.00 0.00 H new ATOM 704 N LEU A 67 -3.301 -0.024 6.469 1.00 0.00 N ATOM 705 CA LEU A 67 -4.750 -0.031 6.173 1.00 0.00 C ATOM 706 C LEU A 67 -5.337 -1.432 5.955 1.00 0.00 C ATOM 707 O LEU A 67 -4.709 -2.290 5.337 1.00 0.00 O ATOM 708 CB LEU A 67 -5.070 0.922 5.006 1.00 0.00 C ATOM 709 CG LEU A 67 -4.789 0.548 3.541 1.00 0.00 C ATOM 710 CD1 LEU A 67 -5.040 1.790 2.684 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.373 0.044 3.270 1.00 0.00 C ATOM 0 H LEU A 67 -2.746 -0.587 5.825 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.249 0.340 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.133 1.152 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.531 1.849 5.202 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.453 -0.281 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.848 1.555 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.076 2.109 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.375 2.593 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.268 -0.195 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.654 0.817 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.185 -0.850 3.864 1.00 0.00 H new ATOM 713 N TYR A 68 -6.574 -1.598 6.416 1.00 0.00 N ATOM 714 CA TYR A 68 -7.318 -2.863 6.290 1.00 0.00 C ATOM 715 C TYR A 68 -8.521 -2.763 5.348 1.00 0.00 C ATOM 716 O TYR A 68 -9.142 -1.710 5.196 1.00 0.00 O ATOM 717 CB TYR A 68 -7.721 -3.452 7.650 1.00 0.00 C ATOM 718 CG TYR A 68 -8.540 -2.538 8.562 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.927 -1.465 9.198 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.889 -2.794 8.766 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.673 -0.622 10.009 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.628 -1.972 9.606 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.021 -0.883 10.218 1.00 0.00 C ATOM 724 OH TYR A 68 -10.760 -0.055 10.997 1.00 0.00 O ATOM 0 H TYR A 68 -7.096 -0.861 6.890 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.617 -3.561 5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.293 -4.363 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.814 -3.743 8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.871 -1.288 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.362 -3.630 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.207 0.233 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.673 -2.179 9.783 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.683 -0.381 11.038 1.00 0.00 H new ATOM 731 N ASN A 69 -8.587 -3.786 4.506 1.00 0.00 N ATOM 732 CA ASN A 69 -9.633 -3.917 3.481 1.00 0.00 C ATOM 733 C ASN A 69 -10.986 -4.348 4.059 1.00 0.00 C ATOM 734 O ASN A 69 -11.201 -5.516 4.390 1.00 0.00 O ATOM 735 CB ASN A 69 -9.187 -4.843 2.347 1.00 0.00 C ATOM 736 CG ASN A 69 -10.056 -4.535 1.130 1.00 0.00 C ATOM 737 OD1 ASN A 69 -11.067 -5.162 0.859 1.00 0.00 O ATOM 738 ND2 ASN A 69 -9.758 -3.440 0.476 1.00 0.00 N ATOM 0 H ASN A 69 -7.917 -4.555 4.509 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.783 -2.921 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.134 -4.685 2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.295 -5.887 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.373 -3.106 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.911 -2.922 0.709 1.00 0.00 H new ATOM 742 N LYS A 70 -11.897 -3.382 4.017 1.00 0.00 N ATOM 743 CA LYS A 70 -13.260 -3.531 4.562 1.00 0.00 C ATOM 744 C LYS A 70 -14.274 -4.107 3.549 1.00 0.00 C ATOM 745 O LYS A 70 -15.462 -4.199 3.842 1.00 0.00 O ATOM 746 CB LYS A 70 -13.697 -2.153 5.076 1.00 0.00 C ATOM 747 CG LYS A 70 -14.587 -2.209 6.324 1.00 0.00 C ATOM 748 CD LYS A 70 -13.822 -2.674 7.571 1.00 0.00 C ATOM 749 CE LYS A 70 -14.251 -4.061 8.061 1.00 0.00 C ATOM 750 NZ LYS A 70 -15.608 -4.047 8.627 1.00 0.00 N ATOM 0 H LYS A 70 -11.719 -2.466 3.604 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.240 -4.263 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.809 -1.562 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.233 -1.633 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.011 -1.222 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.422 -2.885 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.755 -2.688 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.972 -1.950 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.211 -4.767 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.547 -4.414 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.835 -4.988 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.658 -3.343 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.292 -3.801 7.883 1.00 0.00 H new ATOM 755 N ASN A 71 -13.773 -4.547 2.391 1.00 0.00 N ATOM 756 CA ASN A 71 -14.595 -5.192 1.342 1.00 0.00 C ATOM 757 C ASN A 71 -14.079 -6.591 0.927 1.00 0.00 C ATOM 758 O ASN A 71 -14.488 -7.147 -0.092 1.00 0.00 O ATOM 759 CB ASN A 71 -14.625 -4.238 0.141 1.00 0.00 C ATOM 760 CG ASN A 71 -15.793 -4.526 -0.807 1.00 0.00 C ATOM 761 OD1 ASN A 71 -16.948 -4.630 -0.425 1.00 0.00 O ATOM 762 ND2 ASN A 71 -15.524 -4.538 -2.092 1.00 0.00 N ATOM 0 H ASN A 71 -12.786 -4.470 2.146 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.596 -5.369 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -14.696 -3.211 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.687 -4.320 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -16.280 -4.634 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.559 -4.451 -2.412 1.00 0.00 H new ATOM 766 N ASN A 72 -13.186 -7.153 1.740 1.00 0.00 N ATOM 767 CA ASN A 72 -12.573 -8.472 1.493 1.00 0.00 C ATOM 768 C ASN A 72 -12.889 -9.434 2.654 1.00 0.00 C ATOM 769 O ASN A 72 -13.921 -10.098 2.655 1.00 0.00 O ATOM 770 CB ASN A 72 -11.062 -8.287 1.286 1.00 0.00 C ATOM 771 CG ASN A 72 -10.586 -8.715 -0.100 1.00 0.00 C ATOM 772 OD1 ASN A 72 -10.285 -9.868 -0.365 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.423 -7.751 -0.974 1.00 0.00 N ATOM 0 H ASN A 72 -12.860 -6.708 2.598 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.989 -8.920 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.806 -7.239 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.526 -8.862 2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.038 -7.958 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.681 -6.794 -0.732 1.00 0.00 H new ATOM 777 N SER A 73 -12.003 -9.445 3.650 1.00 0.00 N ATOM 778 CA SER A 73 -12.138 -10.204 4.908 1.00 0.00 C ATOM 779 C SER A 73 -11.002 -9.758 5.843 1.00 0.00 C ATOM 780 O SER A 73 -9.925 -10.347 5.862 1.00 0.00 O ATOM 781 CB SER A 73 -12.049 -11.711 4.623 1.00 0.00 C ATOM 782 OG SER A 73 -12.675 -12.451 5.671 1.00 0.00 O ATOM 0 H SER A 73 -11.137 -8.908 3.608 1.00 0.00 H new ATOM 0 HA SER A 73 -13.104 -10.012 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.530 -11.937 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.005 -12.010 4.531 1.00 0.00 H new ATOM 0 HG SER A 73 -12.613 -13.410 5.477 1.00 0.00 H new ATOM 785 N SER A 74 -11.133 -8.505 6.282 1.00 0.00 N ATOM 786 CA SER A 74 -10.238 -7.846 7.265 1.00 0.00 C ATOM 787 C SER A 74 -8.718 -7.926 6.986 1.00 0.00 C ATOM 788 O SER A 74 -7.912 -8.238 7.865 1.00 0.00 O ATOM 789 CB SER A 74 -10.583 -8.387 8.658 1.00 0.00 C ATOM 790 OG SER A 74 -11.938 -8.072 8.991 1.00 0.00 O ATOM 0 H SER A 74 -11.883 -7.893 5.961 1.00 0.00 H new ATOM 0 HA SER A 74 -10.432 -6.777 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.437 -9.467 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.910 -7.957 9.400 1.00 0.00 H new ATOM 0 HG SER A 74 -12.146 -8.424 9.882 1.00 0.00 H new ATOM 793 N ILE A 75 -8.327 -7.413 5.819 1.00 0.00 N ATOM 794 CA ILE A 75 -6.930 -7.505 5.329 1.00 0.00 C ATOM 795 C ILE A 75 -6.157 -6.198 5.588 1.00 0.00 C ATOM 796 O ILE A 75 -6.247 -5.239 4.823 1.00 0.00 O ATOM 797 CB ILE A 75 -6.889 -7.968 3.854 1.00 0.00 C ATOM 798 CG1 ILE A 75 -7.532 -9.362 3.739 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.448 -8.002 3.308 1.00 0.00 C ATOM 800 CD1 ILE A 75 -7.840 -9.826 2.310 1.00 0.00 C ATOM 0 H ILE A 75 -8.956 -6.923 5.183 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.410 -8.273 5.901 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.449 -7.251 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.868 -10.090 4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.459 -9.365 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.460 -8.332 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.013 -7.004 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.850 -8.694 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.290 -10.818 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.533 -9.127 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.916 -9.863 1.733 1.00 0.00 H new ATOM 802 N VAL A 76 -5.303 -6.272 6.604 1.00 0.00 N ATOM 803 CA VAL A 76 -4.531 -5.135 7.153 1.00 0.00 C ATOM 804 C VAL A 76 -3.104 -5.177 6.578 1.00 0.00 C ATOM 805 O VAL A 76 -2.303 -6.031 6.949 1.00 0.00 O ATOM 806 CB VAL A 76 -4.420 -5.161 8.695 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.160 -3.747 9.222 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.595 -5.805 9.445 1.00 0.00 C ATOM 0 H VAL A 76 -5.115 -7.148 7.092 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.064 -4.227 6.871 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.577 -5.819 8.903 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.083 -3.772 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.229 -3.367 8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.983 -3.094 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.407 -5.766 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.513 -5.263 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.701 -6.844 9.133 1.00 0.00 H new ATOM 810 N ILE A 77 -2.799 -4.275 5.659 1.00 0.00 N ATOM 811 CA ILE A 77 -1.464 -4.250 5.023 1.00 0.00 C ATOM 812 C ILE A 77 -0.607 -3.037 5.425 1.00 0.00 C ATOM 813 O ILE A 77 -1.099 -1.908 5.493 1.00 0.00 O ATOM 814 CB ILE A 77 -1.535 -4.402 3.490 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.386 -3.323 2.819 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.046 -5.797 3.108 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.781 -2.898 1.480 1.00 0.00 C ATOM 0 H ILE A 77 -3.440 -3.553 5.330 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.953 -5.128 5.418 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.517 -4.275 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.397 -3.698 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.466 -2.457 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.089 -5.884 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.370 -6.554 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.043 -5.946 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.407 -2.130 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.779 -2.500 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.725 -3.761 0.816 1.00 0.00 H new ATOM 819 N GLU A 78 0.651 -3.327 5.760 1.00 0.00 N ATOM 820 CA GLU A 78 1.666 -2.283 6.027 1.00 0.00 C ATOM 821 C GLU A 78 2.873 -2.293 5.090 1.00 0.00 C ATOM 822 O GLU A 78 3.756 -3.148 5.125 1.00 0.00 O ATOM 823 CB GLU A 78 2.057 -2.047 7.496 1.00 0.00 C ATOM 824 CG GLU A 78 2.252 -3.256 8.417 1.00 0.00 C ATOM 825 CD GLU A 78 3.715 -3.612 8.699 1.00 0.00 C ATOM 826 OE1 GLU A 78 4.566 -2.694 8.736 1.00 0.00 O ATOM 827 OE2 GLU A 78 3.948 -4.829 8.876 1.00 0.00 O ATOM 0 H GLU A 78 1.002 -4.280 5.856 1.00 0.00 H new ATOM 0 HA GLU A 78 1.094 -1.392 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.986 -1.476 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.291 -1.413 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.750 -3.059 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.761 -4.120 7.970 1.00 0.00 H new ATOM 829 N ILE A 79 2.870 -1.221 4.314 1.00 0.00 N ATOM 830 CA ILE A 79 3.732 -0.973 3.140 1.00 0.00 C ATOM 831 C ILE A 79 4.428 0.390 3.286 1.00 0.00 C ATOM 832 O ILE A 79 3.804 1.317 3.788 1.00 0.00 O ATOM 833 CB ILE A 79 2.897 -1.151 1.834 1.00 0.00 C ATOM 834 CG1 ILE A 79 3.527 -0.586 0.549 1.00 0.00 C ATOM 835 CG2 ILE A 79 1.396 -0.816 1.944 1.00 0.00 C ATOM 836 CD1 ILE A 79 3.433 0.936 0.332 1.00 0.00 C ATOM 0 H ILE A 79 2.231 -0.445 4.487 1.00 0.00 H new ATOM 0 HA ILE A 79 4.538 -1.705 3.076 1.00 0.00 H new ATOM 0 HB ILE A 79 2.942 -2.234 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.581 -0.865 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.058 -1.079 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.916 -0.976 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.933 -1.461 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.277 0.226 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.915 1.200 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.385 1.235 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.932 1.452 1.152 1.00 0.00 H new ATOM 838 N PHE A 80 5.697 0.485 2.893 1.00 0.00 N ATOM 839 CA PHE A 80 6.473 1.750 2.896 1.00 0.00 C ATOM 840 C PHE A 80 6.942 2.088 1.468 1.00 0.00 C ATOM 841 O PHE A 80 7.560 1.242 0.826 1.00 0.00 O ATOM 842 CB PHE A 80 7.692 1.575 3.825 1.00 0.00 C ATOM 843 CG PHE A 80 8.512 2.834 4.159 1.00 0.00 C ATOM 844 CD1 PHE A 80 9.003 3.648 3.151 1.00 0.00 C ATOM 845 CD2 PHE A 80 8.784 3.176 5.478 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.680 4.825 3.428 1.00 0.00 C ATOM 847 CE2 PHE A 80 9.510 4.329 5.766 1.00 0.00 C ATOM 848 CZ PHE A 80 9.937 5.163 4.741 1.00 0.00 C ATOM 0 H PHE A 80 6.232 -0.316 2.558 1.00 0.00 H new ATOM 0 HA PHE A 80 5.847 2.567 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.342 1.142 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.363 0.847 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.854 3.357 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.432 2.546 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.003 5.471 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.742 4.576 6.791 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.469 6.074 4.971 1.00 0.00 H new ATOM 855 N ILE A 81 6.842 3.370 1.103 1.00 0.00 N ATOM 856 CA ILE A 81 7.421 3.900 -0.152 1.00 0.00 C ATOM 857 C ILE A 81 8.637 4.797 0.170 1.00 0.00 C ATOM 858 O ILE A 81 8.477 5.824 0.834 1.00 0.00 O ATOM 859 CB ILE A 81 6.373 4.628 -1.032 1.00 0.00 C ATOM 860 CG1 ILE A 81 6.754 4.690 -2.518 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.921 6.019 -0.566 1.00 0.00 C ATOM 862 CD1 ILE A 81 8.196 4.997 -2.938 1.00 0.00 C ATOM 0 H ILE A 81 6.360 4.074 1.662 1.00 0.00 H new ATOM 0 HA ILE A 81 7.763 3.054 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 81 5.510 3.975 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.488 3.729 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.116 5.442 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.188 6.418 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.471 5.943 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.782 6.686 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.266 4.997 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.486 5.976 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.863 4.237 -2.532 1.00 0.00 H new ATOM 864 N PRO A 82 9.858 4.318 -0.115 1.00 0.00 N ATOM 865 CA PRO A 82 11.056 5.158 -0.005 1.00 0.00 C ATOM 866 C PRO A 82 11.262 5.915 -1.333 1.00 0.00 C ATOM 867 O PRO A 82 10.617 6.930 -1.580 1.00 0.00 O ATOM 868 CB PRO A 82 12.200 4.190 0.350 1.00 0.00 C ATOM 869 CG PRO A 82 11.521 2.851 0.644 1.00 0.00 C ATOM 870 CD PRO A 82 10.243 2.899 -0.191 1.00 0.00 C ATOM 0 HA PRO A 82 10.991 5.930 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.908 4.099 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.761 4.545 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.154 2.011 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.301 2.739 1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.419 2.582 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.469 2.247 0.215 1.00 0.00 H new ATOM 871 N ASN A 83 12.068 5.323 -2.211 1.00 0.00 N ATOM 872 CA ASN A 83 12.580 5.826 -3.506 1.00 0.00 C ATOM 873 C ASN A 83 13.700 4.857 -3.937 1.00 0.00 C ATOM 874 O ASN A 83 13.631 3.688 -3.553 1.00 0.00 O ATOM 875 CB ASN A 83 13.032 7.303 -3.424 1.00 0.00 C ATOM 876 CG ASN A 83 13.852 7.634 -2.175 1.00 0.00 C ATOM 877 OD1 ASN A 83 14.730 6.904 -1.744 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.557 8.766 -1.567 1.00 0.00 N ATOM 0 H ASN A 83 12.421 4.384 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 83 11.795 5.841 -4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.623 7.541 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.151 7.944 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.065 9.041 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.821 9.367 -1.938 1.00 0.00 H new ATOM 882 N ASP A 84 14.664 5.305 -4.752 1.00 0.00 N ATOM 883 CA ASP A 84 15.813 4.494 -5.231 1.00 0.00 C ATOM 884 C ASP A 84 15.505 3.038 -5.634 1.00 0.00 C ATOM 885 O ASP A 84 16.332 2.146 -5.461 1.00 0.00 O ATOM 886 CB ASP A 84 16.955 4.541 -4.200 1.00 0.00 C ATOM 887 CG ASP A 84 17.861 5.765 -4.358 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.317 6.857 -4.648 1.00 0.00 O ATOM 889 OD2 ASP A 84 19.087 5.581 -4.198 1.00 0.00 O ATOM 0 H ASP A 84 14.676 6.260 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 84 16.109 4.966 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.530 4.539 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.557 3.637 -4.293 1.00 0.00 H new ATOM 891 N ASN A 85 14.339 2.851 -6.257 1.00 0.00 N ATOM 892 CA ASN A 85 13.735 1.528 -6.523 1.00 0.00 C ATOM 893 C ASN A 85 13.836 0.537 -5.350 1.00 0.00 C ATOM 894 O ASN A 85 14.736 -0.293 -5.277 1.00 0.00 O ATOM 895 CB ASN A 85 14.202 0.920 -7.859 1.00 0.00 C ATOM 896 CG ASN A 85 15.709 0.891 -8.111 1.00 0.00 C ATOM 897 OD1 ASN A 85 16.406 -0.076 -7.859 1.00 0.00 O ATOM 898 ND2 ASN A 85 16.201 1.908 -8.786 1.00 0.00 N ATOM 0 H ASN A 85 13.771 3.626 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 85 12.668 1.725 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.828 -0.102 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.732 1.478 -8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.171 1.889 -9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.612 2.715 -8.994 1.00 0.00 H new ATOM 902 N LYS A 86 12.948 0.744 -4.376 1.00 0.00 N ATOM 903 CA LYS A 86 12.757 -0.160 -3.223 1.00 0.00 C ATOM 904 C LYS A 86 11.404 0.141 -2.554 1.00 0.00 C ATOM 905 O LYS A 86 10.919 1.268 -2.636 1.00 0.00 O ATOM 906 CB LYS A 86 13.876 0.070 -2.196 1.00 0.00 C ATOM 907 CG LYS A 86 14.022 -1.092 -1.204 1.00 0.00 C ATOM 908 CD LYS A 86 14.808 -0.687 0.050 1.00 0.00 C ATOM 909 CE LYS A 86 16.310 -0.463 -0.165 1.00 0.00 C ATOM 910 NZ LYS A 86 17.078 -1.718 -0.132 1.00 0.00 N ATOM 0 H LYS A 86 12.329 1.554 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 86 12.780 -1.193 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.820 0.214 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.674 0.989 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.033 -1.445 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.526 -1.925 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.374 0.229 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.677 -1.460 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.467 0.030 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.687 0.210 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.086 -1.512 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.952 -2.178 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.739 -2.352 -0.883 1.00 0.00 H new ATOM 915 N ILE A 87 10.772 -0.920 -2.052 1.00 0.00 N ATOM 916 CA ILE A 87 9.491 -0.897 -1.302 1.00 0.00 C ATOM 917 C ILE A 87 9.218 -2.276 -0.671 1.00 0.00 C ATOM 918 O ILE A 87 9.415 -3.315 -1.297 1.00 0.00 O ATOM 919 CB ILE A 87 8.302 -0.452 -2.194 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.930 -0.556 -1.500 1.00 0.00 C ATOM 921 CG2 ILE A 87 8.303 -1.227 -3.511 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.748 0.054 -2.262 1.00 0.00 C ATOM 0 H ILE A 87 11.144 -1.864 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 87 9.587 -0.158 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 87 8.454 0.608 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.715 -1.609 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.999 -0.071 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.463 -0.903 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.235 -1.038 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.212 -2.294 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.835 -0.076 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.928 1.117 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.640 -0.445 -3.225 1.00 0.00 H new ATOM 924 N LEU A 88 8.658 -2.221 0.533 1.00 0.00 N ATOM 925 CA LEU A 88 8.232 -3.409 1.300 1.00 0.00 C ATOM 926 C LEU A 88 6.771 -3.317 1.763 1.00 0.00 C ATOM 927 O LEU A 88 6.337 -2.276 2.261 1.00 0.00 O ATOM 928 CB LEU A 88 9.207 -3.668 2.459 1.00 0.00 C ATOM 929 CG LEU A 88 9.568 -2.427 3.286 1.00 0.00 C ATOM 930 CD1 LEU A 88 8.731 -2.331 4.563 1.00 0.00 C ATOM 931 CD2 LEU A 88 11.068 -2.418 3.586 1.00 0.00 C ATOM 0 H LEU A 88 8.480 -1.342 1.019 1.00 0.00 H new ATOM 0 HA LEU A 88 8.267 -4.272 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.771 -4.415 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.124 -4.097 2.055 1.00 0.00 H new ATOM 0 HG LEU A 88 9.331 -1.541 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.018 -1.439 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.674 -2.272 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.904 -3.214 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.316 -1.534 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.332 -3.313 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.626 -2.400 2.650 1.00 0.00 H new ATOM 933 N LEU A 89 6.019 -4.359 1.418 1.00 0.00 N ATOM 934 CA LEU A 89 4.594 -4.525 1.780 1.00 0.00 C ATOM 935 C LEU A 89 4.377 -5.822 2.572 1.00 0.00 C ATOM 936 O LEU A 89 4.841 -6.891 2.177 1.00 0.00 O ATOM 937 CB LEU A 89 3.781 -4.531 0.475 1.00 0.00 C ATOM 938 CG LEU A 89 2.249 -4.558 0.588 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.649 -3.900 -0.656 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.712 -5.989 0.647 1.00 0.00 C ATOM 0 H LEU A 89 6.382 -5.136 0.866 1.00 0.00 H new ATOM 0 HA LEU A 89 4.268 -3.706 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.059 -3.646 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.090 -5.398 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 89 1.975 -4.032 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.561 -3.914 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.995 -2.869 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.962 -4.448 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.625 -5.967 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.999 -6.523 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.129 -6.499 1.516 1.00 0.00 H new ATOM 942 N THR A 90 3.605 -5.706 3.647 1.00 0.00 N ATOM 943 CA THR A 90 3.197 -6.864 4.473 1.00 0.00 C ATOM 944 C THR A 90 1.672 -7.051 4.436 1.00 0.00 C ATOM 945 O THR A 90 0.934 -6.075 4.306 1.00 0.00 O ATOM 946 CB THR A 90 3.627 -6.726 5.947 1.00 0.00 C ATOM 947 OG1 THR A 90 2.830 -5.759 6.627 1.00 0.00 O ATOM 948 CG2 THR A 90 5.113 -6.401 6.120 1.00 0.00 C ATOM 0 H THR A 90 3.239 -4.814 3.980 1.00 0.00 H new ATOM 0 HA THR A 90 3.701 -7.729 4.042 1.00 0.00 H new ATOM 0 HB THR A 90 3.465 -7.706 6.395 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.223 -5.570 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.346 -6.318 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.713 -7.196 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.339 -5.457 5.624 1.00 0.00 H new ATOM 951 N ILE A 91 1.236 -8.289 4.656 1.00 0.00 N ATOM 952 CA ILE A 91 -0.197 -8.656 4.710 1.00 0.00 C ATOM 953 C ILE A 91 -0.529 -9.206 6.113 1.00 0.00 C ATOM 954 O ILE A 91 0.313 -9.821 6.761 1.00 0.00 O ATOM 955 CB ILE A 91 -0.567 -9.682 3.608 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.241 -9.196 2.188 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.057 -10.051 3.631 1.00 0.00 C ATOM 958 CD1 ILE A 91 1.173 -9.560 1.726 1.00 0.00 C ATOM 0 H ILE A 91 1.863 -9.079 4.804 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.793 -7.763 4.522 1.00 0.00 H new ATOM 0 HB ILE A 91 0.046 -10.552 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.963 -9.623 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.360 -8.113 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.266 -10.772 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.309 -10.489 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.656 -9.155 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.333 -9.185 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.903 -9.111 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.291 -10.644 1.734 1.00 0.00 H new ATOM 960 N MET A 92 -1.624 -8.692 6.660 1.00 0.00 N ATOM 961 CA MET A 92 -2.273 -9.214 7.880 1.00 0.00 C ATOM 962 C MET A 92 -3.775 -9.419 7.643 1.00 0.00 C ATOM 963 O MET A 92 -4.350 -8.899 6.686 1.00 0.00 O ATOM 964 CB MET A 92 -2.098 -8.261 9.069 1.00 0.00 C ATOM 965 CG MET A 92 -0.662 -8.188 9.588 1.00 0.00 C ATOM 966 SD MET A 92 -0.474 -7.018 10.981 1.00 0.00 S ATOM 967 CE MET A 92 -0.586 -5.459 10.130 1.00 0.00 C ATOM 0 H MET A 92 -2.104 -7.883 6.267 1.00 0.00 H new ATOM 0 HA MET A 92 -1.792 -10.164 8.112 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.420 -7.262 8.774 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.753 -8.581 9.880 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.344 -9.181 9.907 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.001 -7.888 8.775 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.054 -4.695 10.698 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.139 -5.552 9.140 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.633 -5.173 10.030 1.00 0.00 H new ATOM 969 N ASN A 93 -4.399 -10.118 8.584 1.00 0.00 N ATOM 970 CA ASN A 93 -5.837 -10.426 8.541 1.00 0.00 C ATOM 971 C ASN A 93 -6.357 -10.612 9.972 1.00 0.00 C ATOM 972 O ASN A 93 -5.786 -11.383 10.745 1.00 0.00 O ATOM 973 CB ASN A 93 -6.017 -11.704 7.716 1.00 0.00 C ATOM 974 CG ASN A 93 -7.464 -11.918 7.290 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.390 -11.953 8.089 1.00 0.00 O ATOM 976 ND2 ASN A 93 -7.647 -12.104 6.005 1.00 0.00 N ATOM 0 H ASN A 93 -3.925 -10.492 9.406 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.403 -9.616 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.383 -11.654 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.682 -12.561 8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.584 -12.284 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.853 -12.068 5.366 1.00 0.00 H new ATOM 980 N THR A 94 -7.397 -9.854 10.310 1.00 0.00 N ATOM 981 CA THR A 94 -8.061 -9.912 11.636 1.00 0.00 C ATOM 982 C THR A 94 -8.626 -11.312 11.958 1.00 0.00 C ATOM 983 O THR A 94 -8.757 -11.671 13.125 1.00 0.00 O ATOM 984 CB THR A 94 -9.169 -8.848 11.750 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.704 -7.611 11.198 1.00 0.00 O ATOM 986 CG2 THR A 94 -9.610 -8.600 13.197 1.00 0.00 C ATOM 0 H THR A 94 -7.815 -9.173 9.676 1.00 0.00 H new ATOM 0 HA THR A 94 -7.289 -9.698 12.375 1.00 0.00 H new ATOM 0 HB THR A 94 -10.029 -9.229 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.447 -6.974 11.152 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.392 -7.841 13.214 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.994 -9.526 13.624 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.758 -8.256 13.783 1.00 0.00 H new ATOM 989 N GLU A 95 -8.887 -12.115 10.925 1.00 0.00 N ATOM 990 CA GLU A 95 -9.384 -13.500 11.084 1.00 0.00 C ATOM 991 C GLU A 95 -8.271 -14.561 10.903 1.00 0.00 C ATOM 992 O GLU A 95 -8.544 -15.733 10.647 1.00 0.00 O ATOM 993 CB GLU A 95 -10.526 -13.758 10.085 1.00 0.00 C ATOM 994 CG GLU A 95 -11.661 -12.722 10.093 1.00 0.00 C ATOM 995 CD GLU A 95 -12.320 -12.507 11.461 1.00 0.00 C ATOM 996 OE1 GLU A 95 -12.770 -13.508 12.062 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.388 -11.320 11.851 1.00 0.00 O ATOM 0 H GLU A 95 -8.763 -11.833 9.953 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.750 -13.597 12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.104 -13.800 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.952 -14.739 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.267 -11.769 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.425 -13.034 9.381 1.00 0.00 H new ATOM 999 N ALA A 96 -7.018 -14.153 11.123 1.00 0.00 N ATOM 1000 CA ALA A 96 -5.826 -15.015 10.965 1.00 0.00 C ATOM 1001 C ALA A 96 -4.930 -15.044 12.222 1.00 0.00 C ATOM 1002 O ALA A 96 -5.198 -14.356 13.205 1.00 0.00 O ATOM 1003 CB ALA A 96 -5.042 -14.549 9.732 1.00 0.00 C ATOM 0 H ALA A 96 -6.792 -13.204 11.420 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.164 -16.042 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.160 -15.176 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.675 -14.627 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.734 -13.512 9.867 1.00 0.00 H new ATOM 1005 N LEU A 97 -3.813 -15.768 12.127 1.00 0.00 N ATOM 1006 CA LEU A 97 -2.868 -15.979 13.243 1.00 0.00 C ATOM 1007 C LEU A 97 -1.427 -15.502 12.956 1.00 0.00 C ATOM 1008 O LEU A 97 -0.451 -16.215 13.189 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.913 -17.468 13.634 1.00 0.00 C ATOM 1010 CG LEU A 97 -3.519 -17.785 15.012 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -2.731 -17.127 16.152 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -5.011 -17.442 15.083 1.00 0.00 C ATOM 0 H LEU A 97 -3.529 -16.233 11.265 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.188 -15.354 14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.483 -18.005 12.876 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.897 -17.861 13.607 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.436 -18.864 15.146 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.194 -17.378 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.703 -17.490 16.141 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.735 -16.045 16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.393 -17.684 16.075 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.149 -16.378 14.890 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.553 -18.020 14.335 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.328 -14.245 12.502 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.046 -13.612 12.111 1.00 0.00 C ATOM 1016 C GLY A 98 0.678 -14.337 10.963 1.00 0.00 C ATOM 1017 O GLY A 98 1.616 -15.101 11.172 1.00 0.00 O ATOM 0 H GLY A 98 -2.134 -13.630 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.236 -12.580 11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.612 -13.578 12.979 1.00 0.00 H new ATOM 1019 N THR A 99 0.288 -13.966 9.746 1.00 0.00 N ATOM 1020 CA THR A 99 0.830 -14.548 8.498 1.00 0.00 C ATOM 1021 C THR A 99 1.095 -13.454 7.454 1.00 0.00 C ATOM 1022 O THR A 99 0.172 -12.763 7.022 1.00 0.00 O ATOM 1023 CB THR A 99 -0.042 -15.695 7.941 1.00 0.00 C ATOM 1024 OG1 THR A 99 0.520 -16.157 6.709 1.00 0.00 O ATOM 1025 CG2 THR A 99 -1.530 -15.353 7.779 1.00 0.00 C ATOM 0 H THR A 99 -0.418 -13.248 9.585 1.00 0.00 H new ATOM 0 HA THR A 99 1.787 -15.007 8.747 1.00 0.00 H new ATOM 0 HB THR A 99 -0.027 -16.488 8.689 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.029 -16.886 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.061 -16.218 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.949 -15.083 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.638 -14.515 7.091 1.00 0.00 H new ATOM 1028 N SER A 100 2.381 -13.141 7.322 1.00 0.00 N ATOM 1029 CA SER A 100 2.856 -12.078 6.417 1.00 0.00 C ATOM 1030 C SER A 100 4.065 -12.542 5.586 1.00 0.00 C ATOM 1031 O SER A 100 5.144 -12.725 6.152 1.00 0.00 O ATOM 1032 CB SER A 100 3.247 -10.841 7.226 1.00 0.00 C ATOM 1033 OG SER A 100 3.165 -9.691 6.383 1.00 0.00 O ATOM 0 H SER A 100 3.128 -13.611 7.834 1.00 0.00 H new ATOM 0 HA SER A 100 2.041 -11.836 5.734 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.585 -10.727 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.259 -10.951 7.617 1.00 0.00 H new ATOM 0 HG SER A 100 4.024 -9.554 5.933 1.00 0.00 H new ATOM 1036 N PRO A 101 3.879 -12.798 4.282 1.00 0.00 N ATOM 1037 CA PRO A 101 4.980 -13.179 3.373 1.00 0.00 C ATOM 1038 C PRO A 101 6.048 -12.091 3.168 1.00 0.00 C ATOM 1039 O PRO A 101 7.197 -12.423 2.898 1.00 0.00 O ATOM 1040 CB PRO A 101 4.299 -13.596 2.068 1.00 0.00 C ATOM 1041 CG PRO A 101 2.985 -12.816 2.080 1.00 0.00 C ATOM 1042 CD PRO A 101 2.591 -12.779 3.559 1.00 0.00 C ATOM 0 HA PRO A 101 5.562 -13.991 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.907 -13.342 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.126 -14.672 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.113 -11.812 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.223 -13.308 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.016 -11.884 3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.972 -13.635 3.827 1.00 0.00 H new ATOM 1043 N ARG A 102 5.636 -10.822 3.284 1.00 0.00 N ATOM 1044 CA ARG A 102 6.488 -9.613 3.211 1.00 0.00 C ATOM 1045 C ARG A 102 7.226 -9.487 1.866 1.00 0.00 C ATOM 1046 O ARG A 102 8.280 -10.069 1.619 1.00 0.00 O ATOM 1047 CB ARG A 102 7.420 -9.566 4.431 1.00 0.00 C ATOM 1048 CG ARG A 102 7.943 -8.162 4.753 1.00 0.00 C ATOM 1049 CD ARG A 102 9.408 -7.936 4.370 1.00 0.00 C ATOM 1050 NE ARG A 102 10.266 -8.909 5.072 1.00 0.00 N ATOM 1051 CZ ARG A 102 11.414 -9.415 4.620 1.00 0.00 C ATOM 1052 NH1 ARG A 102 11.958 -9.006 3.482 1.00 0.00 N ATOM 1053 NH2 ARG A 102 11.891 -10.528 5.157 1.00 0.00 N ATOM 0 H ARG A 102 4.654 -10.592 3.439 1.00 0.00 H new ATOM 0 HA ARG A 102 5.848 -8.731 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 102 6.887 -9.954 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.268 -10.228 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.326 -7.429 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.826 -7.979 5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.531 -8.040 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.708 -6.920 4.628 1.00 0.00 H new ATOM 0 HE ARG A 102 9.952 -9.225 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.497 -8.285 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.837 -9.412 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.381 -10.990 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.768 -10.923 4.818 1.00 0.00 H new ATOM 1060 N MET A 103 6.652 -8.639 1.021 1.00 0.00 N ATOM 1061 CA MET A 103 7.056 -8.532 -0.391 1.00 0.00 C ATOM 1062 C MET A 103 7.786 -7.218 -0.699 1.00 0.00 C ATOM 1063 O MET A 103 7.303 -6.122 -0.408 1.00 0.00 O ATOM 1064 CB MET A 103 5.811 -8.717 -1.260 1.00 0.00 C ATOM 1065 CG MET A 103 6.192 -9.384 -2.582 1.00 0.00 C ATOM 1066 SD MET A 103 4.744 -9.883 -3.580 1.00 0.00 S ATOM 1067 CE MET A 103 5.608 -10.735 -4.879 1.00 0.00 C ATOM 0 H MET A 103 5.897 -8.006 1.285 1.00 0.00 H new ATOM 0 HA MET A 103 7.780 -9.315 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.077 -9.327 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.344 -7.751 -1.452 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.807 -8.698 -3.164 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.803 -10.263 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.259 -10.374 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.678 -10.549 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.418 -11.805 -4.801 1.00 0.00 H new ATOM 1069 N THR A 104 9.003 -7.414 -1.193 1.00 0.00 N ATOM 1070 CA THR A 104 9.952 -6.349 -1.573 1.00 0.00 C ATOM 1071 C THR A 104 10.073 -6.180 -3.095 1.00 0.00 C ATOM 1072 O THR A 104 10.769 -6.917 -3.794 1.00 0.00 O ATOM 1073 CB THR A 104 11.336 -6.600 -0.952 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.672 -7.992 -1.024 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.402 -6.088 0.488 1.00 0.00 C ATOM 0 H THR A 104 9.379 -8.349 -1.349 1.00 0.00 H new ATOM 0 HA THR A 104 9.548 -5.417 -1.177 1.00 0.00 H new ATOM 0 HB THR A 104 12.073 -6.040 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.556 -8.136 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.393 -6.281 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.206 -5.016 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.654 -6.602 1.092 1.00 0.00 H new ATOM 1078 N PHE A 105 9.351 -5.175 -3.572 1.00 0.00 N ATOM 1079 CA PHE A 105 9.317 -4.788 -5.001 1.00 0.00 C ATOM 1080 C PHE A 105 10.234 -3.565 -5.203 1.00 0.00 C ATOM 1081 O PHE A 105 10.650 -2.928 -4.232 1.00 0.00 O ATOM 1082 CB PHE A 105 7.893 -4.436 -5.481 1.00 0.00 C ATOM 1083 CG PHE A 105 6.722 -4.855 -4.577 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.323 -3.993 -3.567 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.053 -6.062 -4.740 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.334 -4.353 -2.668 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.999 -6.385 -3.891 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.656 -5.549 -2.838 1.00 0.00 C ATOM 0 H PHE A 105 8.760 -4.590 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 105 9.659 -5.641 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.841 -3.356 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.744 -4.892 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.792 -3.024 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.350 -6.746 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.092 -3.705 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.442 -7.296 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.866 -5.829 -2.156 1.00 0.00 H new ATOM 1095 N ILE A 106 10.697 -3.347 -6.434 1.00 0.00 N ATOM 1096 CA ILE A 106 11.517 -2.153 -6.757 1.00 0.00 C ATOM 1097 C ILE A 106 10.970 -1.349 -7.957 1.00 0.00 C ATOM 1098 O ILE A 106 10.454 -1.923 -8.919 1.00 0.00 O ATOM 1099 CB ILE A 106 13.020 -2.493 -6.899 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.334 -3.397 -8.100 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.561 -3.104 -5.593 1.00 0.00 C ATOM 1102 CD1 ILE A 106 14.822 -3.402 -8.479 1.00 0.00 C ATOM 0 H ILE A 106 10.527 -3.968 -7.225 1.00 0.00 H new ATOM 0 HA ILE A 106 11.432 -1.488 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 106 13.532 -1.550 -7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.020 -4.416 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.748 -3.067 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.619 -3.337 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.435 -2.391 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.012 -4.017 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.977 -4.060 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.135 -2.390 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.411 -3.760 -7.635 1.00 0.00 H new ATOM 1104 N LYS A 107 11.042 -0.019 -7.852 1.00 0.00 N ATOM 1105 CA LYS A 107 10.542 0.940 -8.870 1.00 0.00 C ATOM 1106 C LYS A 107 11.525 1.049 -10.046 1.00 0.00 C ATOM 1107 O LYS A 107 12.355 1.961 -10.093 1.00 0.00 O ATOM 1108 CB LYS A 107 10.316 2.331 -8.245 1.00 0.00 C ATOM 1109 CG LYS A 107 9.005 3.008 -8.676 1.00 0.00 C ATOM 1110 CD LYS A 107 8.961 3.405 -10.155 1.00 0.00 C ATOM 1111 CE LYS A 107 8.995 4.922 -10.393 1.00 0.00 C ATOM 1112 NZ LYS A 107 10.255 5.557 -9.974 1.00 0.00 N ATOM 0 H LYS A 107 11.457 0.442 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 107 9.590 0.564 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.323 2.235 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.151 2.978 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.175 2.333 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.852 3.899 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.806 2.947 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.056 2.997 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.834 5.119 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.168 5.384 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.209 6.579 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.401 5.400 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.047 5.142 -10.506 1.00 0.00 H new ATOM 1117 N HIS A 108 11.522 -0.050 -10.800 1.00 0.00 N ATOM 1118 CA HIS A 108 12.277 -0.344 -12.042 1.00 0.00 C ATOM 1119 C HIS A 108 13.275 -1.486 -11.820 1.00 0.00 C ATOM 1120 O HIS A 108 14.175 -1.390 -10.992 1.00 0.00 O ATOM 1121 CB HIS A 108 12.996 0.837 -12.720 1.00 0.00 C ATOM 1122 CG HIS A 108 12.033 1.982 -13.057 1.00 0.00 C ATOM 1123 ND1 HIS A 108 10.730 1.859 -13.282 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.336 3.275 -13.124 1.00 0.00 C ATOM 1125 CE1 HIS A 108 10.228 3.069 -13.510 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.219 3.945 -13.397 1.00 0.00 N ATOM 0 H HIS A 108 10.935 -0.843 -10.540 1.00 0.00 H new ATOM 0 HA HIS A 108 11.491 -0.628 -12.742 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.783 1.207 -12.063 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.480 0.490 -13.633 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.316 3.706 -12.982 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.199 3.298 -13.745 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.138 4.956 -13.501 1.00 0.00 H new ATOM 1129 N LYS A 109 12.923 -2.627 -12.409 1.00 0.00 N ATOM 1130 CA LYS A 109 13.736 -3.864 -12.357 1.00 0.00 C ATOM 1131 C LYS A 109 14.071 -4.474 -13.732 1.00 0.00 C ATOM 1132 O LYS A 109 15.200 -4.994 -13.871 1.00 99.99 O ATOM 1133 CG LYS A 109 11.648 -5.313 -11.807 1.00 0.00 C ATOM 1134 CD LYS A 109 10.775 -5.375 -10.550 1.00 0.00 C ATOM 1135 CE LYS A 109 9.415 -6.023 -10.822 1.00 0.00 C ATOM 1136 NZ LYS A 109 9.537 -7.483 -10.946 1.00 0.00 N ATOM 1137 OXT LYS A 109 13.191 -4.384 -14.618 1.00 99.99 O ATOM 0 H LYS A 109 12.060 -2.731 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.296 -5.938 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.625 -4.367 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.725 -5.780 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 109 8.990 -5.612 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 8.600 -7.895 -11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.177 -7.712 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.920 -7.876 -10.063 1.00 0.00 H new TER 1142 LYS A 109