USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 978 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 95 HIS : no HE2:sc= -0.606 K(o=-0.61,f=-6.3!) USER MOD Set 2.1: A 54 ASN : amide:sc= -2.05! C(o=-1.1!,f=-3.7!) USER MOD Set 2.2: A 56 TYR OH : rot 87:sc= 0.932 USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= -0.164 USER MOD Set 3.2: A 96 ASN : amide:sc= -2.97! C(o=-2.9!,f=-7.8!) USER MOD Set 3.3: A 97 THR OG1 : rot 62:sc= 0.184 USER MOD Set 4.1: A 9 HIS : no HD1:sc= -3.02! C(o=-6.4!,f=-8.4!) USER MOD Set 4.2: A 13 ASN : amide:sc= -3.4! C(o=-6.4!,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.225 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.0566 (180deg=-0.418) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.7!) USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -1.22 (180deg=-2.32) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -90:sc= 0.0317 USER MOD Single : A 16 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -75:sc= 0.221 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 47 SER OG : rot 117:sc= 0.559 USER MOD Single : A 48 ASN : amide:sc= -0.934 X(o=-0.93,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.185 (180deg=0.165) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 THR OG1 : rot -52:sc= 1.04 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -174:sc= -0.443 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 62 HIS : no HE2:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.443 F(o=-2.3!,f=-0.44) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.37! C(o=-1.4!,f=-8.9!) USER MOD Single : A 87 HIS : no HD1:sc= -0.573! C(o=-0.57!,f=-4.4!) USER MOD Single : A 89 MET CE :methyl -153:sc= -0.201 (180deg=-1.11) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -76:sc= 0.481 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-3.3!) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.04 F(o=-3.5!,f=-1) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 119 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.67) USER MOD Single : A 120 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.599 -9.830 17.097 1.00 0.00 N ATOM 2 CA MET A 1 -8.240 -9.615 18.426 1.00 0.00 C ATOM 3 C MET A 1 -9.751 -9.444 18.245 1.00 0.00 C ATOM 4 O MET A 1 -10.437 -10.333 17.781 1.00 0.00 O ATOM 5 CB MET A 1 -7.664 -8.356 19.071 1.00 0.00 C ATOM 6 CG MET A 1 -6.200 -8.591 19.438 1.00 0.00 C ATOM 7 SD MET A 1 -5.499 -7.063 20.112 1.00 0.00 S ATOM 8 CE MET A 1 -6.503 -6.983 21.617 1.00 0.00 C ATOM 0 H1 MET A 1 -7.046 -10.711 17.117 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.334 -9.899 16.364 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.969 -9.031 16.882 1.00 0.00 H new ATOM 0 HA MET A 1 -8.045 -10.476 19.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.746 -7.513 18.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.236 -8.098 19.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.121 -9.395 20.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.638 -8.905 18.558 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.965 -6.426 22.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.446 -6.482 21.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.703 -7.993 21.975 1.00 0.00 H new ATOM 20 N THR A 2 -10.272 -8.298 18.605 1.00 0.00 N ATOM 21 CA THR A 2 -11.735 -8.045 18.456 1.00 0.00 C ATOM 22 C THR A 2 -11.967 -7.142 17.237 1.00 0.00 C ATOM 23 O THR A 2 -13.073 -7.005 16.751 1.00 0.00 O ATOM 24 CB THR A 2 -12.250 -7.346 19.715 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.075 -8.203 20.839 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.732 -7.017 19.549 1.00 0.00 C ATOM 0 H THR A 2 -9.741 -7.521 18.999 1.00 0.00 H new ATOM 0 HA THR A 2 -12.265 -8.987 18.317 1.00 0.00 H new ATOM 0 HB THR A 2 -11.691 -6.423 19.871 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.403 -7.755 21.646 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.097 -6.519 20.447 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.865 -6.359 18.690 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.294 -7.938 19.391 1.00 0.00 H new ATOM 34 N LEU A 3 -10.928 -6.536 16.733 1.00 0.00 N ATOM 35 CA LEU A 3 -11.082 -5.652 15.535 1.00 0.00 C ATOM 36 C LEU A 3 -11.531 -6.499 14.336 1.00 0.00 C ATOM 37 O LEU A 3 -12.363 -6.096 13.544 1.00 0.00 O ATOM 38 CB LEU A 3 -9.736 -4.998 15.210 1.00 0.00 C ATOM 39 CG LEU A 3 -9.167 -4.315 16.458 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.804 -3.699 16.123 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.127 -3.213 16.932 1.00 0.00 C ATOM 0 H LEU A 3 -9.978 -6.612 17.096 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.825 -4.882 15.743 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.036 -5.750 14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.862 -4.267 14.411 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.050 -5.053 17.252 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.397 -3.212 17.009 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.122 -4.483 15.794 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.923 -2.963 15.327 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.717 -2.731 17.820 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.250 -2.473 16.141 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.095 -3.652 17.172 1.00 0.00 H new ATOM 53 N GLU A 4 -10.976 -7.669 14.198 1.00 0.00 N ATOM 54 CA GLU A 4 -11.352 -8.552 13.054 1.00 0.00 C ATOM 55 C GLU A 4 -12.836 -8.919 13.157 1.00 0.00 C ATOM 56 O GLU A 4 -13.592 -8.796 12.211 1.00 0.00 O ATOM 57 CB GLU A 4 -10.502 -9.828 13.114 1.00 0.00 C ATOM 58 CG GLU A 4 -10.741 -10.550 14.449 1.00 0.00 C ATOM 59 CD GLU A 4 -9.604 -11.539 14.717 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.471 -11.207 14.415 1.00 0.00 O ATOM 61 OE2 GLU A 4 -9.888 -12.613 15.223 1.00 0.00 O ATOM 0 H GLU A 4 -10.275 -8.056 14.830 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.176 -8.034 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.758 -10.486 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.446 -9.578 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.802 -9.824 15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.695 -11.077 14.422 1.00 0.00 H new ATOM 68 N LEU A 5 -13.254 -9.364 14.302 1.00 0.00 N ATOM 69 CA LEU A 5 -14.683 -9.734 14.481 1.00 0.00 C ATOM 70 C LEU A 5 -15.539 -8.475 14.363 1.00 0.00 C ATOM 71 O LEU A 5 -16.611 -8.478 13.788 1.00 0.00 O ATOM 72 CB LEU A 5 -14.881 -10.363 15.867 1.00 0.00 C ATOM 73 CG LEU A 5 -16.361 -10.715 16.087 1.00 0.00 C ATOM 74 CD1 LEU A 5 -16.846 -11.675 14.986 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.527 -11.372 17.464 1.00 0.00 C ATOM 0 H LEU A 5 -12.667 -9.489 15.127 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.977 -10.453 13.717 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.269 -11.261 15.957 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.546 -9.670 16.639 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.958 -9.804 16.044 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.896 -11.918 15.151 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.733 -11.199 14.012 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.253 -12.589 15.014 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.576 -11.623 17.623 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.926 -12.280 17.509 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.198 -10.680 18.239 1.00 0.00 H new ATOM 87 N GLN A 6 -15.067 -7.399 14.919 1.00 0.00 N ATOM 88 CA GLN A 6 -15.830 -6.124 14.864 1.00 0.00 C ATOM 89 C GLN A 6 -15.946 -5.652 13.414 1.00 0.00 C ATOM 90 O GLN A 6 -16.950 -5.104 13.003 1.00 0.00 O ATOM 91 CB GLN A 6 -15.089 -5.067 15.683 1.00 0.00 C ATOM 92 CG GLN A 6 -15.843 -3.741 15.611 1.00 0.00 C ATOM 93 CD GLN A 6 -15.233 -2.743 16.596 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.547 -3.125 17.525 1.00 0.00 O ATOM 95 NE2 GLN A 6 -15.453 -1.468 16.428 1.00 0.00 N ATOM 0 H GLN A 6 -14.177 -7.347 15.414 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.829 -6.279 15.271 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.002 -5.391 16.720 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.076 -4.942 15.302 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.797 -3.341 14.598 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.896 -3.898 15.844 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.028 -1.148 15.649 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.050 -0.791 17.076 1.00 0.00 H new ATOM 104 N LEU A 7 -14.921 -5.850 12.641 1.00 0.00 N ATOM 105 CA LEU A 7 -14.969 -5.403 11.218 1.00 0.00 C ATOM 106 C LEU A 7 -16.080 -6.158 10.483 1.00 0.00 C ATOM 107 O LEU A 7 -16.848 -5.588 9.731 1.00 0.00 O ATOM 108 CB LEU A 7 -13.625 -5.710 10.549 1.00 0.00 C ATOM 109 CG LEU A 7 -13.650 -5.276 9.072 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.891 -3.762 8.972 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.309 -5.638 8.414 1.00 0.00 C ATOM 0 H LEU A 7 -14.052 -6.300 12.928 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.167 -4.332 11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.823 -5.191 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.412 -6.777 10.618 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.459 -5.793 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.907 -3.465 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.847 -3.514 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.091 -3.231 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.323 -5.332 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.499 -5.124 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.153 -6.715 8.475 1.00 0.00 H new ATOM 123 N LYS A 8 -16.161 -7.438 10.693 1.00 0.00 N ATOM 124 CA LYS A 8 -17.214 -8.244 10.010 1.00 0.00 C ATOM 125 C LYS A 8 -18.596 -7.780 10.475 1.00 0.00 C ATOM 126 O LYS A 8 -19.529 -7.687 9.703 1.00 0.00 O ATOM 127 CB LYS A 8 -17.023 -9.719 10.365 1.00 0.00 C ATOM 128 CG LYS A 8 -18.018 -10.573 9.577 1.00 0.00 C ATOM 129 CD LYS A 8 -17.767 -12.056 9.865 1.00 0.00 C ATOM 130 CE LYS A 8 -18.744 -12.908 9.050 1.00 0.00 C ATOM 131 NZ LYS A 8 -20.135 -12.671 9.531 1.00 0.00 N ATOM 0 H LYS A 8 -15.543 -7.966 11.309 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.135 -8.113 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.003 -10.029 10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.169 -9.867 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.038 -10.307 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.915 -10.377 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.740 -12.318 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.893 -12.257 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.666 -12.657 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.490 -13.964 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.639 -13.578 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.106 -12.223 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.631 -12.046 8.864 1.00 0.00 H new ATOM 145 N HIS A 9 -18.731 -7.498 11.736 1.00 0.00 N ATOM 146 CA HIS A 9 -20.050 -7.047 12.266 1.00 0.00 C ATOM 147 C HIS A 9 -20.432 -5.698 11.644 1.00 0.00 C ATOM 148 O HIS A 9 -21.545 -5.499 11.197 1.00 0.00 O ATOM 149 CB HIS A 9 -19.946 -6.884 13.780 1.00 0.00 C ATOM 150 CG HIS A 9 -21.278 -6.460 14.333 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.453 -5.264 15.015 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.510 -7.062 14.309 1.00 0.00 C ATOM 153 CE1 HIS A 9 -22.748 -5.186 15.370 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.438 -6.257 14.964 1.00 0.00 N ATOM 0 H HIS A 9 -17.984 -7.559 12.428 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.811 -7.787 12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.633 -7.823 14.237 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.186 -6.142 14.025 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.727 -8.016 13.851 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.178 -4.359 15.916 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.431 -6.444 15.104 1.00 0.00 H new ATOM 162 N TYR A 10 -19.521 -4.770 11.620 1.00 0.00 N ATOM 163 CA TYR A 10 -19.832 -3.433 11.032 1.00 0.00 C ATOM 164 C TYR A 10 -20.151 -3.569 9.535 1.00 0.00 C ATOM 165 O TYR A 10 -21.115 -3.018 9.041 1.00 0.00 O ATOM 166 CB TYR A 10 -18.624 -2.513 11.212 1.00 0.00 C ATOM 167 CG TYR A 10 -18.899 -1.189 10.540 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.775 -0.274 11.133 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.283 -0.879 9.320 1.00 0.00 C ATOM 170 CE1 TYR A 10 -20.038 0.949 10.506 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.545 0.344 8.696 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.423 1.258 9.288 1.00 0.00 C ATOM 173 OH TYR A 10 -19.685 2.461 8.669 1.00 0.00 O ATOM 0 H TYR A 10 -18.573 -4.876 11.981 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.700 -3.013 11.540 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.424 -2.361 12.273 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.734 -2.974 10.782 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -20.248 -0.511 12.074 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.606 -1.585 8.862 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.716 1.655 10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.069 0.583 7.756 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.176 2.517 7.833 1.00 0.00 H new ATOM 183 N ILE A 11 -19.343 -4.287 8.809 1.00 0.00 N ATOM 184 CA ILE A 11 -19.592 -4.448 7.342 1.00 0.00 C ATOM 185 C ILE A 11 -20.914 -5.189 7.124 1.00 0.00 C ATOM 186 O ILE A 11 -21.702 -4.845 6.265 1.00 0.00 O ATOM 187 CB ILE A 11 -18.446 -5.245 6.712 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.148 -4.421 6.768 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.773 -5.589 5.255 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.276 -3.102 5.979 1.00 0.00 C ATOM 0 H ILE A 11 -18.519 -4.772 9.164 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.648 -3.465 6.875 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.315 -6.171 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.901 -4.201 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.325 -5.010 6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.949 -6.155 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.684 -6.187 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.919 -4.670 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.339 -2.548 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.497 -3.323 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.082 -2.502 6.402 1.00 0.00 H new ATOM 202 N THR A 12 -21.153 -6.215 7.881 1.00 0.00 N ATOM 203 CA THR A 12 -22.416 -6.986 7.710 1.00 0.00 C ATOM 204 C THR A 12 -23.627 -6.106 8.035 1.00 0.00 C ATOM 205 O THR A 12 -24.616 -6.098 7.327 1.00 0.00 O ATOM 206 CB THR A 12 -22.392 -8.184 8.656 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.001 -7.743 9.950 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.400 -9.235 8.150 1.00 0.00 C ATOM 0 H THR A 12 -20.530 -6.557 8.613 1.00 0.00 H new ATOM 0 HA THR A 12 -22.496 -7.322 6.676 1.00 0.00 H new ATOM 0 HB THR A 12 -23.385 -8.631 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.026 -7.798 10.034 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.391 -10.085 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.700 -9.570 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.402 -8.799 8.100 1.00 0.00 H new ATOM 216 N ASN A 13 -23.557 -5.368 9.103 1.00 0.00 N ATOM 217 CA ASN A 13 -24.698 -4.487 9.481 1.00 0.00 C ATOM 218 C ASN A 13 -24.893 -3.410 8.410 1.00 0.00 C ATOM 219 O ASN A 13 -26.000 -3.059 8.052 1.00 0.00 O ATOM 220 CB ASN A 13 -24.389 -3.817 10.821 1.00 0.00 C ATOM 221 CG ASN A 13 -24.592 -4.816 11.962 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.215 -5.845 11.781 1.00 0.00 O ATOM 223 ND2 ASN A 13 -24.092 -4.555 13.140 1.00 0.00 N ATOM 0 H ASN A 13 -22.757 -5.335 9.735 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.607 -5.082 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.363 -3.450 10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.037 -2.952 10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.224 -5.214 13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.569 -3.692 13.293 1.00 0.00 H new ATOM 230 N LEU A 14 -23.819 -2.873 7.911 1.00 0.00 N ATOM 231 CA LEU A 14 -23.934 -1.807 6.875 1.00 0.00 C ATOM 232 C LEU A 14 -24.585 -2.366 5.607 1.00 0.00 C ATOM 233 O LEU A 14 -25.426 -1.733 4.997 1.00 0.00 O ATOM 234 CB LEU A 14 -22.538 -1.274 6.534 1.00 0.00 C ATOM 235 CG LEU A 14 -22.627 -0.227 5.410 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.568 0.916 5.827 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.227 0.332 5.124 1.00 0.00 C ATOM 0 H LEU A 14 -22.866 -3.124 8.173 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.554 -1.000 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.085 -0.829 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.893 -2.096 6.224 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.023 -0.698 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.624 1.652 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.563 0.515 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.185 1.392 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.287 1.074 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.830 0.798 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.568 -0.479 4.815 1.00 0.00 H new ATOM 249 N PHE A 15 -24.189 -3.538 5.194 1.00 0.00 N ATOM 250 CA PHE A 15 -24.768 -4.137 3.953 1.00 0.00 C ATOM 251 C PHE A 15 -25.873 -5.123 4.344 1.00 0.00 C ATOM 252 O PHE A 15 -26.489 -5.758 3.507 1.00 0.00 O ATOM 253 CB PHE A 15 -23.652 -4.853 3.179 1.00 0.00 C ATOM 254 CG PHE A 15 -22.777 -3.828 2.488 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.178 -3.280 1.263 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.567 -3.426 3.070 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.373 -2.332 0.621 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.761 -2.477 2.428 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.165 -1.930 1.203 1.00 0.00 C ATOM 0 H PHE A 15 -23.487 -4.111 5.663 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.197 -3.362 3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.053 -5.458 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.083 -5.533 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.110 -3.589 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.256 -3.848 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.684 -1.911 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.829 -2.167 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.544 -1.198 0.708 1.00 0.00 H new ATOM 269 N ASN A 16 -26.134 -5.238 5.619 1.00 0.00 N ATOM 270 CA ASN A 16 -27.207 -6.164 6.092 1.00 0.00 C ATOM 271 C ASN A 16 -26.929 -7.586 5.598 1.00 0.00 C ATOM 272 O ASN A 16 -27.818 -8.302 5.179 1.00 0.00 O ATOM 273 CB ASN A 16 -28.563 -5.678 5.566 1.00 0.00 C ATOM 274 CG ASN A 16 -29.687 -6.424 6.284 1.00 0.00 C ATOM 275 OD1 ASN A 16 -29.578 -6.735 7.454 1.00 0.00 O ATOM 276 ND2 ASN A 16 -30.776 -6.721 5.630 1.00 0.00 N ATOM 0 H ASN A 16 -25.648 -4.728 6.357 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.224 -6.173 7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.664 -4.605 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.629 -5.846 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -31.535 -7.214 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.868 -6.460 4.648 1.00 0.00 H new ATOM 283 N LEU A 17 -25.693 -8.002 5.650 1.00 0.00 N ATOM 284 CA LEU A 17 -25.344 -9.378 5.188 1.00 0.00 C ATOM 285 C LEU A 17 -25.472 -10.357 6.367 1.00 0.00 C ATOM 286 O LEU A 17 -25.251 -9.988 7.503 1.00 0.00 O ATOM 287 CB LEU A 17 -23.903 -9.378 4.667 1.00 0.00 C ATOM 288 CG LEU A 17 -23.758 -8.323 3.561 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.277 -8.029 3.317 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.395 -8.829 2.259 1.00 0.00 C ATOM 0 H LEU A 17 -24.908 -7.448 5.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.020 -9.687 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.211 -9.164 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.645 -10.364 4.280 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.265 -7.412 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.179 -7.280 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.825 -7.653 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.770 -8.944 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.286 -8.072 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.898 -9.747 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.454 -9.028 2.425 1.00 0.00 H new ATOM 302 N PRO A 18 -25.836 -11.592 6.106 1.00 0.00 N ATOM 303 CA PRO A 18 -26.010 -12.626 7.176 1.00 0.00 C ATOM 304 C PRO A 18 -24.689 -12.974 7.884 1.00 0.00 C ATOM 305 O PRO A 18 -23.642 -13.064 7.275 1.00 0.00 O ATOM 306 CB PRO A 18 -26.570 -13.841 6.411 1.00 0.00 C ATOM 307 CG PRO A 18 -26.109 -13.652 5.005 1.00 0.00 C ATOM 308 CD PRO A 18 -26.121 -12.147 4.771 1.00 0.00 C ATOM 0 HA PRO A 18 -26.663 -12.280 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.197 -14.777 6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.658 -13.878 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.110 -14.063 4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -26.768 -14.163 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.368 -11.848 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.085 -11.807 4.392 1.00 0.00 H new ATOM 316 N ARG A 19 -24.742 -13.173 9.171 1.00 0.00 N ATOM 317 CA ARG A 19 -23.507 -13.521 9.935 1.00 0.00 C ATOM 318 C ARG A 19 -23.288 -15.037 9.912 1.00 0.00 C ATOM 319 O ARG A 19 -22.235 -15.527 10.271 1.00 0.00 O ATOM 320 CB ARG A 19 -23.674 -13.054 11.383 1.00 0.00 C ATOM 321 CG ARG A 19 -23.776 -11.517 11.443 1.00 0.00 C ATOM 322 CD ARG A 19 -22.374 -10.898 11.499 1.00 0.00 C ATOM 323 NE ARG A 19 -21.732 -11.261 12.794 1.00 0.00 N ATOM 324 CZ ARG A 19 -20.524 -10.854 13.066 1.00 0.00 C ATOM 325 NH1 ARG A 19 -19.871 -10.121 12.210 1.00 0.00 N ATOM 326 NH2 ARG A 19 -19.969 -11.186 14.199 1.00 0.00 N ATOM 0 H ARG A 19 -25.592 -13.110 9.732 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.646 -13.031 9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.569 -13.501 11.815 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.828 -13.392 11.981 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.311 -11.146 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.350 -11.217 12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -21.770 -11.258 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.437 -9.814 11.401 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.240 -11.831 13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.305 -9.864 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.926 -9.804 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.480 -11.762 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.024 -10.870 14.416 1.00 0.00 H new ATOM 340 N ASP A 20 -24.266 -15.788 9.493 1.00 0.00 N ATOM 341 CA ASP A 20 -24.090 -17.269 9.454 1.00 0.00 C ATOM 342 C ASP A 20 -23.316 -17.647 8.189 1.00 0.00 C ATOM 343 O ASP A 20 -23.054 -18.804 7.924 1.00 0.00 O ATOM 344 CB ASP A 20 -25.467 -17.951 9.453 1.00 0.00 C ATOM 345 CG ASP A 20 -26.175 -17.706 8.117 1.00 0.00 C ATOM 346 OD1 ASP A 20 -26.807 -16.674 7.988 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.076 -18.559 7.250 1.00 0.00 O ATOM 0 H ASP A 20 -25.174 -15.446 9.178 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.533 -17.599 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.351 -19.022 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.074 -17.564 10.271 1.00 0.00 H new ATOM 352 N GLU A 21 -22.946 -16.672 7.408 1.00 0.00 N ATOM 353 CA GLU A 21 -22.192 -16.968 6.158 1.00 0.00 C ATOM 354 C GLU A 21 -20.756 -17.376 6.499 1.00 0.00 C ATOM 355 O GLU A 21 -20.084 -16.744 7.289 1.00 0.00 O ATOM 356 CB GLU A 21 -22.173 -15.721 5.271 1.00 0.00 C ATOM 357 CG GLU A 21 -21.555 -16.055 3.910 1.00 0.00 C ATOM 358 CD GLU A 21 -22.505 -16.969 3.132 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.622 -17.153 3.585 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.101 -17.462 2.092 1.00 0.00 O ATOM 0 H GLU A 21 -23.132 -15.684 7.580 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.679 -17.787 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.187 -15.345 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.601 -14.929 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.371 -15.140 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.591 -16.545 4.046 1.00 0.00 H new ATOM 367 N LYS A 22 -20.283 -18.430 5.896 1.00 0.00 N ATOM 368 CA LYS A 22 -18.894 -18.891 6.168 1.00 0.00 C ATOM 369 C LYS A 22 -17.914 -18.069 5.332 1.00 0.00 C ATOM 370 O LYS A 22 -17.911 -18.119 4.117 1.00 0.00 O ATOM 371 CB LYS A 22 -18.780 -20.371 5.793 1.00 0.00 C ATOM 372 CG LYS A 22 -19.819 -21.199 6.565 1.00 0.00 C ATOM 373 CD LYS A 22 -19.390 -21.364 8.028 1.00 0.00 C ATOM 374 CE LYS A 22 -20.400 -22.241 8.764 1.00 0.00 C ATOM 375 NZ LYS A 22 -19.972 -22.385 10.185 1.00 0.00 N ATOM 0 H LYS A 22 -20.801 -18.995 5.223 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.658 -18.762 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.931 -20.494 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.777 -20.734 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -20.792 -20.710 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -19.932 -22.178 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.398 -21.814 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.322 -20.388 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -21.393 -21.795 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.465 -23.220 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.655 -22.981 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.031 -22.827 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.931 -21.447 10.632 1.00 0.00 H new ATOM 389 N TRP A 23 -17.077 -17.307 5.984 1.00 0.00 N ATOM 390 CA TRP A 23 -16.086 -16.469 5.250 1.00 0.00 C ATOM 391 C TRP A 23 -14.756 -17.218 5.160 1.00 0.00 C ATOM 392 O TRP A 23 -14.377 -17.944 6.057 1.00 0.00 O ATOM 393 CB TRP A 23 -15.872 -15.151 6.005 1.00 0.00 C ATOM 394 CG TRP A 23 -17.001 -14.206 5.735 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.254 -14.562 5.365 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.993 -12.752 5.802 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.015 -13.417 5.207 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.282 -12.276 5.468 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.001 -11.810 6.128 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.573 -10.910 5.445 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.290 -10.436 6.107 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.576 -9.988 5.772 1.00 0.00 C ATOM 0 H TRP A 23 -17.037 -17.229 7.000 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.459 -16.260 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.800 -15.345 7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.929 -14.698 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.602 -15.574 5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.997 -13.416 4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.010 -12.146 6.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.562 -10.569 5.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.518 -9.721 6.350 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.795 -8.931 5.767 1.00 0.00 H new ATOM 413 N GLU A 24 -14.041 -17.032 4.080 1.00 0.00 N ATOM 414 CA GLU A 24 -12.721 -17.712 3.904 1.00 0.00 C ATOM 415 C GLU A 24 -11.605 -16.673 3.986 1.00 0.00 C ATOM 416 O GLU A 24 -11.565 -15.721 3.232 1.00 0.00 O ATOM 417 CB GLU A 24 -12.694 -18.405 2.542 1.00 0.00 C ATOM 418 CG GLU A 24 -13.656 -19.593 2.573 1.00 0.00 C ATOM 419 CD GLU A 24 -13.693 -20.266 1.200 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.990 -19.803 0.317 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.423 -21.233 1.057 1.00 0.00 O ATOM 0 H GLU A 24 -14.318 -16.431 3.304 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.575 -18.455 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.983 -17.706 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.684 -18.743 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.339 -20.309 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.655 -19.257 2.850 1.00 0.00 H new ATOM 428 N CYS A 25 -10.703 -16.847 4.912 1.00 0.00 N ATOM 429 CA CYS A 25 -9.587 -15.873 5.074 1.00 0.00 C ATOM 430 C CYS A 25 -8.412 -16.272 4.179 1.00 0.00 C ATOM 431 O CYS A 25 -7.981 -17.409 4.170 1.00 0.00 O ATOM 432 CB CYS A 25 -9.139 -15.871 6.540 1.00 0.00 C ATOM 433 SG CYS A 25 -10.591 -16.034 7.609 1.00 0.00 S ATOM 0 H CYS A 25 -10.691 -17.628 5.568 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.926 -14.878 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.445 -16.692 6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.607 -14.948 6.768 1.00 0.00 H new ATOM 0 HG CYS A 25 -11.236 -14.906 7.640 1.00 0.00 H new ATOM 439 N GLU A 26 -7.881 -15.331 3.440 1.00 0.00 N ATOM 440 CA GLU A 26 -6.715 -15.616 2.547 1.00 0.00 C ATOM 441 C GLU A 26 -5.507 -14.832 3.051 1.00 0.00 C ATOM 442 O GLU A 26 -5.484 -13.614 3.037 1.00 0.00 O ATOM 443 CB GLU A 26 -7.054 -15.200 1.114 1.00 0.00 C ATOM 444 CG GLU A 26 -8.096 -16.170 0.557 1.00 0.00 C ATOM 445 CD GLU A 26 -8.463 -15.780 -0.874 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.830 -14.883 -1.405 1.00 0.00 O ATOM 447 OE2 GLU A 26 -9.364 -16.396 -1.420 1.00 0.00 O ATOM 0 H GLU A 26 -8.209 -14.366 3.417 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.487 -16.682 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.439 -14.181 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.157 -15.212 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.705 -17.187 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.987 -16.159 1.185 1.00 0.00 H new ATOM 454 N SER A 27 -4.502 -15.532 3.508 1.00 0.00 N ATOM 455 CA SER A 27 -3.284 -14.852 4.032 1.00 0.00 C ATOM 456 C SER A 27 -2.241 -14.768 2.923 1.00 0.00 C ATOM 457 O SER A 27 -1.538 -15.717 2.635 1.00 0.00 O ATOM 458 CB SER A 27 -2.721 -15.654 5.205 1.00 0.00 C ATOM 459 OG SER A 27 -1.686 -14.908 5.834 1.00 0.00 O ATOM 0 H SER A 27 -4.474 -16.551 3.540 1.00 0.00 H new ATOM 0 HA SER A 27 -3.539 -13.848 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.512 -15.875 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.333 -16.610 4.853 1.00 0.00 H new ATOM 0 HG SER A 27 -1.325 -15.420 6.587 1.00 0.00 H new ATOM 465 N ILE A 28 -2.138 -13.626 2.300 1.00 0.00 N ATOM 466 CA ILE A 28 -1.148 -13.435 1.201 1.00 0.00 C ATOM 467 C ILE A 28 -0.389 -12.134 1.446 1.00 0.00 C ATOM 468 O ILE A 28 -0.949 -11.138 1.865 1.00 0.00 O ATOM 469 CB ILE A 28 -1.875 -13.374 -0.144 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.848 -13.170 -1.257 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.879 -12.221 -0.147 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.526 -13.339 -2.616 1.00 0.00 C ATOM 0 H ILE A 28 -2.706 -12.805 2.509 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.447 -14.270 1.181 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.415 -14.307 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.406 -12.176 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.036 -13.889 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.391 -12.187 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.610 -12.373 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.353 -11.280 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.793 -13.193 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.947 -14.342 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.323 -12.603 -2.719 1.00 0.00 H new ATOM 484 N GLU A 29 0.893 -12.143 1.208 1.00 0.00 N ATOM 485 CA GLU A 29 1.716 -10.922 1.443 1.00 0.00 C ATOM 486 C GLU A 29 1.838 -10.112 0.154 1.00 0.00 C ATOM 487 O GLU A 29 2.156 -10.633 -0.897 1.00 0.00 O ATOM 488 CB GLU A 29 3.109 -11.345 1.907 1.00 0.00 C ATOM 489 CG GLU A 29 3.936 -10.102 2.230 1.00 0.00 C ATOM 490 CD GLU A 29 5.306 -10.519 2.766 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.935 -11.357 2.141 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.707 -9.988 3.789 1.00 0.00 O ATOM 0 H GLU A 29 1.410 -12.950 0.858 1.00 0.00 H new ATOM 0 HA GLU A 29 1.237 -10.306 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.033 -11.983 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.601 -11.931 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.056 -9.491 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.417 -9.490 2.968 1.00 0.00 H new ATOM 499 N GLU A 30 1.598 -8.830 0.231 1.00 0.00 N ATOM 500 CA GLU A 30 1.709 -7.966 -0.983 1.00 0.00 C ATOM 501 C GLU A 30 2.257 -6.593 -0.595 1.00 0.00 C ATOM 502 O GLU A 30 2.215 -6.189 0.552 1.00 0.00 O ATOM 503 CB GLU A 30 0.337 -7.803 -1.641 1.00 0.00 C ATOM 504 CG GLU A 30 -0.080 -9.129 -2.279 1.00 0.00 C ATOM 505 CD GLU A 30 -1.450 -8.974 -2.941 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.983 -7.878 -2.902 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.938 -9.953 -3.478 1.00 0.00 O ATOM 0 H GLU A 30 1.329 -8.341 1.085 1.00 0.00 H new ATOM 0 HA GLU A 30 2.389 -8.440 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.400 -7.496 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.375 -7.019 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.659 -9.436 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.118 -9.912 -1.522 1.00 0.00 H new ATOM 514 N VAL A 31 2.778 -5.881 -1.553 1.00 0.00 N ATOM 515 CA VAL A 31 3.348 -4.533 -1.274 1.00 0.00 C ATOM 516 C VAL A 31 2.232 -3.524 -0.993 1.00 0.00 C ATOM 517 O VAL A 31 1.161 -3.575 -1.565 1.00 0.00 O ATOM 518 CB VAL A 31 4.164 -4.063 -2.475 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.971 -2.825 -2.081 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.124 -5.174 -2.904 1.00 0.00 C ATOM 0 H VAL A 31 2.834 -6.177 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 31 3.989 -4.602 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 31 3.494 -3.820 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.556 -2.485 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.292 -2.032 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.641 -3.074 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.707 -4.840 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.796 -5.413 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.554 -6.062 -3.177 1.00 0.00 H new ATOM 530 N ALA A 32 2.488 -2.605 -0.108 1.00 0.00 N ATOM 531 CA ALA A 32 1.469 -1.572 0.233 1.00 0.00 C ATOM 532 C ALA A 32 1.154 -0.715 -1.003 1.00 0.00 C ATOM 533 O ALA A 32 0.031 -0.296 -1.212 1.00 0.00 O ATOM 534 CB ALA A 32 2.035 -0.676 1.333 1.00 0.00 C ATOM 0 H ALA A 32 3.369 -2.523 0.400 1.00 0.00 H new ATOM 0 HA ALA A 32 0.554 -2.058 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.301 0.086 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.262 -1.279 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.947 -0.195 0.978 1.00 0.00 H new ATOM 540 N ASP A 33 2.136 -0.442 -1.814 1.00 0.00 N ATOM 541 CA ASP A 33 1.892 0.397 -3.027 1.00 0.00 C ATOM 542 C ASP A 33 1.104 -0.405 -4.069 1.00 0.00 C ATOM 543 O ASP A 33 0.643 0.129 -5.060 1.00 0.00 O ATOM 544 CB ASP A 33 3.232 0.818 -3.627 1.00 0.00 C ATOM 545 CG ASP A 33 3.008 1.922 -4.662 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.858 2.215 -4.947 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.988 2.458 -5.153 1.00 0.00 O ATOM 0 H ASP A 33 3.097 -0.761 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 33 1.318 1.279 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.898 1.173 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.718 -0.039 -4.094 1.00 0.00 H new ATOM 552 N ASP A 34 0.943 -1.681 -3.859 1.00 0.00 N ATOM 553 CA ASP A 34 0.181 -2.510 -4.843 1.00 0.00 C ATOM 554 C ASP A 34 -1.301 -2.538 -4.454 1.00 0.00 C ATOM 555 O ASP A 34 -2.160 -2.789 -5.277 1.00 0.00 O ATOM 556 CB ASP A 34 0.735 -3.935 -4.847 1.00 0.00 C ATOM 557 CG ASP A 34 2.120 -3.946 -5.496 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.484 -2.941 -6.086 1.00 0.00 O ATOM 559 OD2 ASP A 34 2.792 -4.959 -5.398 1.00 0.00 O ATOM 0 H ASP A 34 1.304 -2.188 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 34 0.285 -2.077 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.797 -4.314 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.062 -4.596 -5.392 1.00 0.00 H new ATOM 564 N ILE A 35 -1.607 -2.281 -3.204 1.00 0.00 N ATOM 565 CA ILE A 35 -3.040 -2.289 -2.748 1.00 0.00 C ATOM 566 C ILE A 35 -3.500 -0.855 -2.452 1.00 0.00 C ATOM 567 O ILE A 35 -4.220 -0.244 -3.219 1.00 0.00 O ATOM 568 CB ILE A 35 -3.174 -3.146 -1.462 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.835 -3.173 -0.705 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.577 -4.580 -1.819 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.077 -3.625 0.738 1.00 0.00 C ATOM 0 H ILE A 35 -0.926 -2.065 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.662 -2.714 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.943 -2.701 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.139 -3.851 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.378 -2.184 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.667 -5.170 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.534 -4.570 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.817 -5.022 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.130 -3.645 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.758 -2.929 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.516 -4.623 0.738 1.00 0.00 H new ATOM 583 N LEU A 36 -3.104 -0.333 -1.330 1.00 0.00 N ATOM 584 CA LEU A 36 -3.526 1.041 -0.948 1.00 0.00 C ATOM 585 C LEU A 36 -3.176 2.029 -2.071 1.00 0.00 C ATOM 586 O LEU A 36 -2.214 1.841 -2.788 1.00 0.00 O ATOM 587 CB LEU A 36 -2.803 1.435 0.345 1.00 0.00 C ATOM 588 CG LEU A 36 -2.998 0.333 1.396 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.338 0.755 2.714 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.502 0.091 1.621 1.00 0.00 C ATOM 0 H LEU A 36 -2.501 -0.802 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.604 1.067 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.741 1.583 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.193 2.382 0.718 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.536 -0.588 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.478 -0.029 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.272 0.916 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.794 1.679 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.637 -0.692 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.970 1.011 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.965 -0.218 0.684 1.00 0.00 H new ATOM 602 N PRO A 37 -3.958 3.075 -2.235 1.00 0.00 N ATOM 603 CA PRO A 37 -3.719 4.092 -3.301 1.00 0.00 C ATOM 604 C PRO A 37 -2.406 4.859 -3.100 1.00 0.00 C ATOM 605 O PRO A 37 -1.985 5.132 -1.991 1.00 0.00 O ATOM 606 CB PRO A 37 -4.942 5.026 -3.195 1.00 0.00 C ATOM 607 CG PRO A 37 -5.409 4.873 -1.787 1.00 0.00 C ATOM 608 CD PRO A 37 -5.149 3.414 -1.430 1.00 0.00 C ATOM 0 HA PRO A 37 -3.615 3.635 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.672 6.059 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.720 4.743 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.868 5.543 -1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.467 5.117 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.963 3.288 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.999 2.780 -1.683 1.00 0.00 H new ATOM 616 N ASP A 38 -1.761 5.203 -4.176 1.00 0.00 N ATOM 617 CA ASP A 38 -0.477 5.951 -4.079 1.00 0.00 C ATOM 618 C ASP A 38 -0.674 7.199 -3.211 1.00 0.00 C ATOM 619 O ASP A 38 0.270 7.785 -2.719 1.00 0.00 O ATOM 620 CB ASP A 38 -0.037 6.370 -5.480 1.00 0.00 C ATOM 621 CG ASP A 38 1.427 6.807 -5.450 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.972 6.911 -4.363 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.978 7.033 -6.514 1.00 0.00 O ATOM 0 H ASP A 38 -2.069 4.997 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 38 0.285 5.315 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.165 5.540 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.663 7.187 -5.839 1.00 0.00 H new ATOM 628 N GLN A 39 -1.895 7.612 -3.028 1.00 0.00 N ATOM 629 CA GLN A 39 -2.162 8.825 -2.196 1.00 0.00 C ATOM 630 C GLN A 39 -1.780 8.552 -0.740 1.00 0.00 C ATOM 631 O GLN A 39 -1.261 9.407 -0.047 1.00 0.00 O ATOM 632 CB GLN A 39 -3.650 9.167 -2.269 1.00 0.00 C ATOM 633 CG GLN A 39 -3.924 10.439 -1.463 1.00 0.00 C ATOM 634 CD GLN A 39 -5.387 10.854 -1.636 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.279 10.030 -1.572 1.00 0.00 O ATOM 636 NE2 GLN A 39 -5.673 12.110 -1.847 1.00 0.00 N ATOM 0 H GLN A 39 -2.724 7.164 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.569 9.658 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.950 9.310 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.243 8.341 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.707 10.267 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.266 11.242 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.925 12.801 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.645 12.400 -1.958 1.00 0.00 H new ATOM 645 N TYR A 40 -2.041 7.369 -0.263 1.00 0.00 N ATOM 646 CA TYR A 40 -1.699 7.040 1.152 1.00 0.00 C ATOM 647 C TYR A 40 -0.284 6.466 1.216 1.00 0.00 C ATOM 648 O TYR A 40 0.183 6.050 2.260 1.00 0.00 O ATOM 649 CB TYR A 40 -2.698 6.008 1.684 1.00 0.00 C ATOM 650 CG TYR A 40 -2.265 5.542 3.058 1.00 0.00 C ATOM 651 CD1 TYR A 40 -2.146 6.465 4.103 1.00 0.00 C ATOM 652 CD2 TYR A 40 -1.971 4.189 3.283 1.00 0.00 C ATOM 653 CE1 TYR A 40 -1.733 6.039 5.369 1.00 0.00 C ATOM 654 CE2 TYR A 40 -1.562 3.764 4.553 1.00 0.00 C ATOM 655 CZ TYR A 40 -1.442 4.690 5.595 1.00 0.00 C ATOM 656 OH TYR A 40 -1.034 4.275 6.844 1.00 0.00 O ATOM 0 H TYR A 40 -2.477 6.613 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.747 7.943 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.695 6.445 1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.756 5.159 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.373 7.507 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.060 3.475 2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.639 6.753 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.339 2.722 4.728 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.873 3.308 6.831 1.00 0.00 H new ATOM 666 N VAL A 41 0.405 6.450 0.108 1.00 0.00 N ATOM 667 CA VAL A 41 1.800 5.916 0.086 1.00 0.00 C ATOM 668 C VAL A 41 2.773 7.099 0.039 1.00 0.00 C ATOM 669 O VAL A 41 3.977 6.936 0.078 1.00 0.00 O ATOM 670 CB VAL A 41 1.983 5.034 -1.151 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.376 4.401 -1.137 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.919 3.927 -1.155 1.00 0.00 C ATOM 0 H VAL A 41 0.060 6.786 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 41 1.994 5.318 0.977 1.00 0.00 H new ATOM 0 HB VAL A 41 1.876 5.647 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.500 3.774 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.132 5.186 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.490 3.791 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.050 3.299 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.024 3.318 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.074 4.377 -1.174 1.00 0.00 H new ATOM 682 N ARG A 42 2.248 8.294 -0.029 1.00 0.00 N ATOM 683 CA ARG A 42 3.125 9.506 -0.056 1.00 0.00 C ATOM 684 C ARG A 42 3.758 9.687 1.331 1.00 0.00 C ATOM 685 O ARG A 42 4.577 10.559 1.554 1.00 0.00 O ATOM 686 CB ARG A 42 2.281 10.743 -0.392 1.00 0.00 C ATOM 687 CG ARG A 42 1.827 10.689 -1.854 1.00 0.00 C ATOM 688 CD ARG A 42 0.963 11.915 -2.175 1.00 0.00 C ATOM 689 NE ARG A 42 0.518 11.852 -3.602 1.00 0.00 N ATOM 690 CZ ARG A 42 1.260 12.353 -4.556 1.00 0.00 C ATOM 691 NH1 ARG A 42 2.383 12.955 -4.277 1.00 0.00 N ATOM 692 NH2 ARG A 42 0.868 12.255 -5.797 1.00 0.00 N ATOM 0 H ARG A 42 1.247 8.485 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 42 3.902 9.384 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.413 10.790 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.862 11.648 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.695 10.661 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.260 9.776 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.097 11.946 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.530 12.829 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.373 11.414 -3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.690 13.038 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.954 13.342 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.012 11.790 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.442 12.644 -6.545 1.00 0.00 H new ATOM 706 N LEU A 43 3.367 8.870 2.267 1.00 0.00 N ATOM 707 CA LEU A 43 3.916 8.982 3.651 1.00 0.00 C ATOM 708 C LEU A 43 5.427 8.716 3.643 1.00 0.00 C ATOM 709 O LEU A 43 6.188 9.400 4.302 1.00 0.00 O ATOM 710 CB LEU A 43 3.206 7.953 4.539 1.00 0.00 C ATOM 711 CG LEU A 43 1.826 8.489 4.961 1.00 0.00 C ATOM 712 CD1 LEU A 43 1.971 9.669 5.949 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.056 8.943 3.711 1.00 0.00 C ATOM 0 H LEU A 43 2.685 8.123 2.134 1.00 0.00 H new ATOM 0 HA LEU A 43 3.747 9.987 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.091 7.012 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.810 7.743 5.422 1.00 0.00 H new ATOM 0 HG LEU A 43 1.278 7.692 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.982 10.030 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.504 9.335 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.529 10.475 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.078 9.324 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.615 9.730 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.928 8.097 3.035 1.00 0.00 H new ATOM 725 N GLY A 44 5.865 7.733 2.902 1.00 0.00 N ATOM 726 CA GLY A 44 7.332 7.414 2.837 1.00 0.00 C ATOM 727 C GLY A 44 7.592 6.004 3.390 1.00 0.00 C ATOM 728 O GLY A 44 7.921 5.103 2.646 1.00 0.00 O ATOM 0 H GLY A 44 5.270 7.130 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.681 7.479 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.897 8.148 3.411 1.00 0.00 H new ATOM 732 N PRO A 45 7.453 5.805 4.680 1.00 0.00 N ATOM 733 CA PRO A 45 7.685 4.467 5.311 1.00 0.00 C ATOM 734 C PRO A 45 6.881 3.355 4.623 1.00 0.00 C ATOM 735 O PRO A 45 7.330 2.234 4.495 1.00 0.00 O ATOM 736 CB PRO A 45 7.211 4.653 6.762 1.00 0.00 C ATOM 737 CG PRO A 45 7.299 6.124 7.022 1.00 0.00 C ATOM 738 CD PRO A 45 7.059 6.816 5.677 1.00 0.00 C ATOM 0 HA PRO A 45 8.728 4.160 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.191 4.291 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.838 4.093 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.555 6.434 7.756 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.276 6.389 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.015 7.107 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.656 7.723 5.583 1.00 0.00 H new ATOM 746 N LEU A 46 5.694 3.664 4.186 1.00 0.00 N ATOM 747 CA LEU A 46 4.850 2.636 3.511 1.00 0.00 C ATOM 748 C LEU A 46 5.210 2.589 2.026 1.00 0.00 C ATOM 749 O LEU A 46 4.647 1.830 1.261 1.00 0.00 O ATOM 750 CB LEU A 46 3.377 3.011 3.675 1.00 0.00 C ATOM 751 CG LEU A 46 3.025 3.091 5.169 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.562 3.524 5.324 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.236 1.717 5.837 1.00 0.00 C ATOM 0 H LEU A 46 5.268 4.587 4.267 1.00 0.00 H new ATOM 0 HA LEU A 46 5.026 1.657 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.180 3.969 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.746 2.271 3.182 1.00 0.00 H new ATOM 0 HG LEU A 46 3.675 3.821 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.310 3.581 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.421 4.502 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.914 2.797 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.984 1.784 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.595 0.977 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.279 1.417 5.731 1.00 0.00 H new ATOM 765 N SER A 47 6.149 3.403 1.622 1.00 0.00 N ATOM 766 CA SER A 47 6.582 3.437 0.187 1.00 0.00 C ATOM 767 C SER A 47 6.599 2.023 -0.411 1.00 0.00 C ATOM 768 O SER A 47 5.626 1.561 -0.976 1.00 0.00 O ATOM 769 CB SER A 47 7.993 4.023 0.114 1.00 0.00 C ATOM 770 OG SER A 47 7.931 5.431 0.299 1.00 0.00 O ATOM 0 H SER A 47 6.643 4.056 2.231 1.00 0.00 H new ATOM 0 HA SER A 47 5.879 4.048 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.626 3.572 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.445 3.792 -0.850 1.00 0.00 H new ATOM 0 HG SER A 47 8.414 5.675 1.116 1.00 0.00 H new ATOM 776 N ASN A 48 7.704 1.342 -0.294 1.00 0.00 N ATOM 777 CA ASN A 48 7.814 -0.042 -0.851 1.00 0.00 C ATOM 778 C ASN A 48 7.801 -1.050 0.306 1.00 0.00 C ATOM 779 O ASN A 48 8.394 -2.110 0.232 1.00 0.00 O ATOM 780 CB ASN A 48 9.128 -0.154 -1.625 1.00 0.00 C ATOM 781 CG ASN A 48 9.230 -1.536 -2.265 1.00 0.00 C ATOM 782 OD1 ASN A 48 10.015 -2.356 -1.840 1.00 0.00 O ATOM 783 ND2 ASN A 48 8.464 -1.827 -3.278 1.00 0.00 N ATOM 0 H ASN A 48 8.546 1.686 0.168 1.00 0.00 H new ATOM 0 HA ASN A 48 6.978 -0.252 -1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.176 0.618 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.972 0.010 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.524 -2.747 -3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.804 -1.135 -3.634 1.00 0.00 H new ATOM 790 N LYS A 49 7.134 -0.722 1.378 1.00 0.00 N ATOM 791 CA LYS A 49 7.089 -1.648 2.546 1.00 0.00 C ATOM 792 C LYS A 49 6.155 -2.825 2.259 1.00 0.00 C ATOM 793 O LYS A 49 5.071 -2.668 1.731 1.00 0.00 O ATOM 794 CB LYS A 49 6.595 -0.891 3.777 1.00 0.00 C ATOM 795 CG LYS A 49 6.651 -1.803 5.005 1.00 0.00 C ATOM 796 CD LYS A 49 6.226 -1.015 6.248 1.00 0.00 C ATOM 797 CE LYS A 49 6.304 -1.920 7.480 1.00 0.00 C ATOM 798 NZ LYS A 49 5.908 -1.147 8.691 1.00 0.00 N ATOM 0 H LYS A 49 6.617 0.149 1.496 1.00 0.00 H new ATOM 0 HA LYS A 49 8.092 -2.033 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.210 -0.006 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.574 -0.544 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.994 -2.661 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.661 -2.192 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.873 -0.147 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.210 -0.640 6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.647 -2.781 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.317 -2.306 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.090 -1.717 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.462 -0.268 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.895 -0.915 8.639 1.00 0.00 H new ATOM 812 N ILE A 50 6.580 -4.009 2.609 1.00 0.00 N ATOM 813 CA ILE A 50 5.744 -5.220 2.370 1.00 0.00 C ATOM 814 C ILE A 50 4.891 -5.507 3.606 1.00 0.00 C ATOM 815 O ILE A 50 5.398 -5.662 4.699 1.00 0.00 O ATOM 816 CB ILE A 50 6.665 -6.404 2.092 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.508 -6.097 0.850 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.826 -7.655 1.843 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.573 -7.179 0.661 1.00 0.00 C ATOM 0 H ILE A 50 7.479 -4.190 3.055 1.00 0.00 H new ATOM 0 HA ILE A 50 5.086 -5.056 1.517 1.00 0.00 H new ATOM 0 HB ILE A 50 7.318 -6.574 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.868 -6.047 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.983 -5.122 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.484 -8.501 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.218 -7.867 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.176 -7.492 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.168 -6.953 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.222 -7.208 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.089 -8.148 0.536 1.00 0.00 H new ATOM 831 N LEU A 51 3.591 -5.570 3.436 1.00 0.00 N ATOM 832 CA LEU A 51 2.677 -5.835 4.595 1.00 0.00 C ATOM 833 C LEU A 51 1.916 -7.141 4.377 1.00 0.00 C ATOM 834 O LEU A 51 1.545 -7.491 3.270 1.00 0.00 O ATOM 835 CB LEU A 51 1.676 -4.688 4.716 1.00 0.00 C ATOM 836 CG LEU A 51 2.433 -3.362 4.836 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.427 -2.213 4.923 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.320 -3.374 6.095 1.00 0.00 C ATOM 0 H LEU A 51 3.121 -5.449 2.539 1.00 0.00 H new ATOM 0 HA LEU A 51 3.270 -5.914 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.022 -4.668 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.040 -4.836 5.589 1.00 0.00 H new ATOM 0 HG LEU A 51 3.067 -3.227 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.962 -1.267 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.810 -2.201 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.792 -2.351 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.855 -2.427 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.696 -3.512 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.038 -4.191 6.027 1.00 0.00 H new ATOM 850 N GLN A 52 1.666 -7.854 5.440 1.00 0.00 N ATOM 851 CA GLN A 52 0.914 -9.128 5.324 1.00 0.00 C ATOM 852 C GLN A 52 -0.573 -8.800 5.193 1.00 0.00 C ATOM 853 O GLN A 52 -1.212 -8.378 6.136 1.00 0.00 O ATOM 854 CB GLN A 52 1.152 -9.967 6.579 1.00 0.00 C ATOM 855 CG GLN A 52 0.456 -11.320 6.430 1.00 0.00 C ATOM 856 CD GLN A 52 0.676 -12.153 7.692 1.00 0.00 C ATOM 857 OE1 GLN A 52 0.547 -11.657 8.794 1.00 0.00 O ATOM 858 NE2 GLN A 52 1.003 -13.409 7.575 1.00 0.00 N ATOM 0 H GLN A 52 1.953 -7.605 6.387 1.00 0.00 H new ATOM 0 HA GLN A 52 1.247 -9.690 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.221 -10.112 6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.770 -9.445 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.611 -11.174 6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.848 -11.848 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.111 -13.824 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.151 -13.977 8.409 1.00 0.00 H new ATOM 867 N THR A 53 -1.128 -8.976 4.025 1.00 0.00 N ATOM 868 CA THR A 53 -2.571 -8.654 3.834 1.00 0.00 C ATOM 869 C THR A 53 -3.435 -9.858 4.200 1.00 0.00 C ATOM 870 O THR A 53 -2.977 -10.983 4.250 1.00 0.00 O ATOM 871 CB THR A 53 -2.816 -8.282 2.369 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.863 -9.464 1.578 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.686 -7.381 1.869 1.00 0.00 C ATOM 0 H THR A 53 -0.647 -9.328 3.197 1.00 0.00 H new ATOM 0 HA THR A 53 -2.837 -7.818 4.481 1.00 0.00 H new ATOM 0 HB THR A 53 -3.765 -7.751 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.065 -10.006 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.864 -7.119 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.651 -6.473 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.736 -7.908 1.953 1.00 0.00 H new ATOM 881 N ASN A 54 -4.695 -9.625 4.442 1.00 0.00 N ATOM 882 CA ASN A 54 -5.620 -10.737 4.790 1.00 0.00 C ATOM 883 C ASN A 54 -6.954 -10.481 4.088 1.00 0.00 C ATOM 884 O ASN A 54 -7.859 -9.881 4.637 1.00 0.00 O ATOM 885 CB ASN A 54 -5.815 -10.781 6.306 1.00 0.00 C ATOM 886 CG ASN A 54 -6.425 -12.126 6.699 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.496 -12.179 7.275 1.00 0.00 O ATOM 888 ND2 ASN A 54 -5.785 -13.224 6.405 1.00 0.00 N ATOM 0 H ASN A 54 -5.127 -8.701 4.413 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.211 -11.695 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.859 -10.641 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.466 -9.967 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.182 -14.129 6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.888 -13.178 5.922 1.00 0.00 H new ATOM 895 N THR A 55 -7.067 -10.922 2.867 1.00 0.00 N ATOM 896 CA THR A 55 -8.326 -10.703 2.097 1.00 0.00 C ATOM 897 C THR A 55 -9.326 -11.803 2.438 1.00 0.00 C ATOM 898 O THR A 55 -8.975 -12.962 2.533 1.00 0.00 O ATOM 899 CB THR A 55 -8.014 -10.741 0.601 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.029 -9.761 0.304 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.283 -10.449 -0.202 1.00 0.00 C ATOM 0 H THR A 55 -6.338 -11.428 2.365 1.00 0.00 H new ATOM 0 HA THR A 55 -8.752 -9.734 2.356 1.00 0.00 H new ATOM 0 HB THR A 55 -7.642 -11.730 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.824 -9.783 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.054 -10.477 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.039 -11.200 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.661 -9.461 0.062 1.00 0.00 H new ATOM 909 N TYR A 56 -10.571 -11.451 2.625 1.00 0.00 N ATOM 910 CA TYR A 56 -11.603 -12.475 2.967 1.00 0.00 C ATOM 911 C TYR A 56 -12.495 -12.721 1.753 1.00 0.00 C ATOM 912 O TYR A 56 -12.957 -11.798 1.110 1.00 0.00 O ATOM 913 CB TYR A 56 -12.459 -11.957 4.119 1.00 0.00 C ATOM 914 CG TYR A 56 -11.587 -11.744 5.332 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.393 -12.785 6.246 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.971 -10.504 5.541 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.584 -12.589 7.370 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.160 -10.307 6.666 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.967 -11.349 7.580 1.00 0.00 C ATOM 920 OH TYR A 56 -9.169 -11.156 8.690 1.00 0.00 O ATOM 0 H TYR A 56 -10.919 -10.495 2.555 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.114 -13.405 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.943 -11.022 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.252 -12.670 4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.868 -13.741 6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.121 -9.700 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.435 -13.393 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.684 -9.351 6.828 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.254 -11.444 8.489 1.00 0.00 H new ATOM 930 N TYR A 57 -12.740 -13.967 1.439 1.00 0.00 N ATOM 931 CA TYR A 57 -13.605 -14.313 0.269 1.00 0.00 C ATOM 932 C TYR A 57 -14.851 -15.042 0.761 1.00 0.00 C ATOM 933 O TYR A 57 -14.776 -16.100 1.356 1.00 0.00 O ATOM 934 CB TYR A 57 -12.824 -15.224 -0.683 1.00 0.00 C ATOM 935 CG TYR A 57 -11.879 -14.390 -1.518 1.00 0.00 C ATOM 936 CD1 TYR A 57 -10.678 -13.927 -0.969 1.00 0.00 C ATOM 937 CD2 TYR A 57 -12.208 -14.080 -2.841 1.00 0.00 C ATOM 938 CE1 TYR A 57 -9.808 -13.152 -1.747 1.00 0.00 C ATOM 939 CE2 TYR A 57 -11.341 -13.307 -3.617 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.140 -12.844 -3.071 1.00 0.00 C ATOM 941 OH TYR A 57 -9.282 -12.082 -3.838 1.00 0.00 O ATOM 0 H TYR A 57 -12.373 -14.770 1.950 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.898 -13.403 -0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.265 -15.967 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.513 -15.769 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.422 -14.167 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.135 -14.439 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.881 -12.792 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.598 -13.067 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.663 -11.962 -4.733 1.00 0.00 H new ATOM 951 N SER A 58 -16.000 -14.480 0.505 1.00 0.00 N ATOM 952 CA SER A 58 -17.276 -15.120 0.936 1.00 0.00 C ATOM 953 C SER A 58 -18.277 -15.045 -0.218 1.00 0.00 C ATOM 954 O SER A 58 -18.216 -14.164 -1.052 1.00 0.00 O ATOM 955 CB SER A 58 -17.833 -14.383 2.155 1.00 0.00 C ATOM 956 OG SER A 58 -16.806 -14.251 3.129 1.00 0.00 O ATOM 0 H SER A 58 -16.111 -13.595 0.010 1.00 0.00 H new ATOM 0 HA SER A 58 -17.099 -16.162 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.203 -13.400 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.678 -14.931 2.572 1.00 0.00 H new ATOM 0 HG SER A 58 -17.181 -13.871 3.951 1.00 0.00 H new ATOM 962 N ASP A 59 -19.193 -15.965 -0.271 1.00 0.00 N ATOM 963 CA ASP A 59 -20.204 -15.962 -1.370 1.00 0.00 C ATOM 964 C ASP A 59 -21.059 -14.691 -1.292 1.00 0.00 C ATOM 965 O ASP A 59 -21.384 -14.081 -2.294 1.00 0.00 O ATOM 966 CB ASP A 59 -21.105 -17.185 -1.212 1.00 0.00 C ATOM 967 CG ASP A 59 -20.334 -18.450 -1.595 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.282 -18.320 -2.200 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.807 -19.529 -1.274 1.00 0.00 O ATOM 0 H ASP A 59 -19.289 -16.726 0.402 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.695 -15.990 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.455 -17.259 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.988 -17.081 -1.843 1.00 0.00 H new ATOM 974 N THR A 60 -21.430 -14.292 -0.112 1.00 0.00 N ATOM 975 CA THR A 60 -22.267 -13.065 0.030 1.00 0.00 C ATOM 976 C THR A 60 -21.479 -11.845 -0.464 1.00 0.00 C ATOM 977 O THR A 60 -22.002 -10.980 -1.138 1.00 0.00 O ATOM 978 CB THR A 60 -22.628 -12.877 1.505 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.446 -12.959 2.288 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.605 -13.973 1.938 1.00 0.00 C ATOM 0 H THR A 60 -21.192 -14.760 0.763 1.00 0.00 H new ATOM 0 HA THR A 60 -23.176 -13.169 -0.563 1.00 0.00 H new ATOM 0 HB THR A 60 -23.095 -11.902 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 60 -21.671 -12.837 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.861 -13.838 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.510 -13.913 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.141 -14.949 1.801 1.00 0.00 H new ATOM 988 N LEU A 61 -20.222 -11.778 -0.136 1.00 0.00 N ATOM 989 CA LEU A 61 -19.385 -10.624 -0.584 1.00 0.00 C ATOM 990 C LEU A 61 -19.275 -10.628 -2.112 1.00 0.00 C ATOM 991 O LEU A 61 -19.328 -9.596 -2.754 1.00 0.00 O ATOM 992 CB LEU A 61 -17.987 -10.744 0.025 1.00 0.00 C ATOM 993 CG LEU A 61 -18.050 -10.512 1.544 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.699 -10.878 2.168 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.384 -9.036 1.856 1.00 0.00 C ATOM 0 H LEU A 61 -19.732 -12.474 0.426 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.849 -9.693 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.575 -11.731 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.318 -10.016 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.835 -11.140 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.740 -10.715 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.478 -11.926 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.917 -10.253 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.424 -8.892 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.614 -8.391 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.350 -8.782 1.420 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.120 -11.778 -2.699 1.00 0.00 N ATOM 1008 CA HIS A 62 -19.005 -11.845 -4.181 1.00 0.00 C ATOM 1009 C HIS A 62 -20.266 -11.244 -4.808 1.00 0.00 C ATOM 1010 O HIS A 62 -20.212 -10.539 -5.796 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.874 -13.305 -4.609 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.577 -13.873 -4.100 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.271 -15.223 -4.199 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.498 -13.290 -3.482 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.054 -15.404 -3.655 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -15.539 -14.258 -3.203 1.00 0.00 N ATOM 0 H HIS A 62 -19.068 -12.676 -2.218 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.128 -11.287 -4.510 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.712 -13.884 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.912 -13.379 -5.696 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -17.861 -15.946 -4.610 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -16.408 -12.239 -3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.555 -16.359 -3.592 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.401 -11.516 -4.232 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.669 -10.956 -4.785 1.00 0.00 C ATOM 1026 C LYS A 63 -22.625 -9.424 -4.696 1.00 0.00 C ATOM 1027 O LYS A 63 -23.017 -8.722 -5.608 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.851 -11.471 -3.961 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.002 -12.982 -4.157 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.179 -13.497 -3.321 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.321 -15.007 -3.525 1.00 0.00 C ATOM 1032 NZ LYS A 63 -26.454 -15.522 -2.701 1.00 0.00 N ATOM 0 H LYS A 63 -21.509 -12.101 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.783 -11.264 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.696 -11.246 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.766 -10.963 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.166 -13.207 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -23.084 -13.490 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.016 -13.275 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.098 -12.991 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.496 -15.226 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -24.396 -15.510 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.548 -16.548 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.270 -15.326 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.335 -15.051 -2.990 1.00 0.00 H new ATOM 1046 N SER A 64 -22.148 -8.903 -3.599 1.00 0.00 N ATOM 1047 CA SER A 64 -22.074 -7.420 -3.442 1.00 0.00 C ATOM 1048 C SER A 64 -20.819 -6.893 -4.152 1.00 0.00 C ATOM 1049 O SER A 64 -20.606 -5.701 -4.252 1.00 0.00 O ATOM 1050 CB SER A 64 -21.996 -7.080 -1.951 1.00 0.00 C ATOM 1051 OG SER A 64 -22.964 -7.845 -1.243 1.00 0.00 O ATOM 0 H SER A 64 -21.805 -9.440 -2.802 1.00 0.00 H new ATOM 0 HA SER A 64 -22.958 -6.958 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 64 -20.997 -7.293 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.175 -6.016 -1.799 1.00 0.00 H new ATOM 0 HG SER A 64 -22.915 -7.631 -0.288 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.989 -7.785 -4.630 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.726 -7.372 -5.328 1.00 0.00 C ATOM 1059 C ASN A 65 -17.847 -6.553 -4.376 1.00 0.00 C ATOM 1060 O ASN A 65 -17.184 -5.617 -4.778 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.038 -6.539 -6.582 1.00 0.00 C ATOM 1062 CG ASN A 65 -19.668 -7.433 -7.656 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -19.580 -8.734 -7.557 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -20.255 -6.939 -8.599 1.00 0.00 N flip ATOM 0 H ASN A 65 -20.131 -8.793 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.196 -8.274 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.717 -5.725 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.124 -6.084 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.326 -5.925 -8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.676 -7.539 -9.308 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.834 -6.907 -3.113 1.00 0.00 N ATOM 1072 CA ILE A 66 -16.997 -6.160 -2.118 1.00 0.00 C ATOM 1073 C ILE A 66 -15.834 -7.046 -1.660 1.00 0.00 C ATOM 1074 O ILE A 66 -16.013 -8.194 -1.300 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.859 -5.769 -0.917 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.996 -4.872 -1.415 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.003 -5.008 0.106 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.000 -4.619 -0.292 1.00 0.00 C ATOM 0 H ILE A 66 -18.369 -7.684 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.598 -5.257 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.267 -6.659 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.592 -3.925 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.497 -5.343 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.619 -4.730 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.184 -5.645 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.597 -4.108 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.803 -3.980 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.417 -5.568 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.498 -4.128 0.541 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.637 -6.514 -1.690 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.427 -7.299 -1.282 1.00 0.00 C ATOM 1092 C TYR A 67 -12.828 -6.707 0.004 1.00 0.00 C ATOM 1093 O TYR A 67 -11.936 -5.885 -0.053 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.389 -7.209 -2.402 1.00 0.00 C ATOM 1095 CG TYR A 67 -12.971 -7.790 -3.669 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -12.861 -9.162 -3.922 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.625 -6.960 -4.588 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.403 -9.705 -5.093 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.166 -7.502 -5.760 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.055 -8.874 -6.013 1.00 0.00 C ATOM 1101 OH TYR A 67 -14.589 -9.410 -7.167 1.00 0.00 O ATOM 0 H TYR A 67 -14.443 -5.557 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.707 -8.337 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.100 -6.170 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.486 -7.751 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.357 -9.803 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.712 -5.901 -4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.318 -10.764 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.669 -6.861 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.007 -8.698 -7.695 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.310 -7.112 1.160 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.795 -6.593 2.457 1.00 0.00 C ATOM 1113 C PRO A 68 -11.441 -7.205 2.827 1.00 0.00 C ATOM 1114 O PRO A 68 -11.188 -8.373 2.602 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.888 -6.974 3.464 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.550 -8.187 2.883 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.387 -8.097 1.356 1.00 0.00 C ATOM 0 HA PRO A 68 -12.608 -5.520 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.463 -7.189 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.602 -6.161 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.092 -9.098 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.604 -8.220 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.124 -9.064 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.311 -7.776 0.876 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.562 -6.417 3.390 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.224 -6.951 3.762 1.00 0.00 C ATOM 1127 C PHE A 69 -8.664 -6.185 4.966 1.00 0.00 C ATOM 1128 O PHE A 69 -9.027 -5.044 5.240 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.267 -6.796 2.575 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.019 -5.330 2.302 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.853 -4.625 1.425 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.945 -4.676 2.921 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.612 -3.268 1.167 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.707 -3.320 2.666 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.539 -2.617 1.788 1.00 0.00 C ATOM 0 H PHE A 69 -10.714 -5.432 3.606 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.323 -8.004 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.324 -7.300 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.690 -7.273 1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.682 -5.127 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.300 -5.219 3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.254 -2.725 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.881 -2.817 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.354 -1.572 1.589 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.757 -6.812 5.673 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.110 -6.174 6.858 1.00 0.00 C ATOM 1147 C ILE A 70 -5.592 -6.278 6.696 1.00 0.00 C ATOM 1148 O ILE A 70 -5.069 -7.297 6.286 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.534 -6.884 8.145 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.031 -6.658 8.380 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.735 -6.313 9.320 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.516 -7.553 9.524 1.00 0.00 C ATOM 0 H ILE A 70 -7.432 -7.758 5.473 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.417 -5.130 6.921 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.340 -7.953 8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.217 -5.611 8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.589 -6.880 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.033 -6.815 10.241 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.671 -6.472 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.932 -5.245 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.581 -7.389 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.345 -8.598 9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.967 -7.310 10.434 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.884 -5.223 6.999 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.397 -5.241 6.852 1.00 0.00 C ATOM 1166 C LEU A 71 -2.742 -5.470 8.211 1.00 0.00 C ATOM 1167 O LEU A 71 -3.019 -4.787 9.181 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.943 -3.897 6.284 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.627 -3.654 4.933 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.194 -2.292 4.385 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.237 -4.761 3.938 1.00 0.00 C ATOM 0 H LEU A 71 -5.272 -4.345 7.344 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.105 -6.048 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.191 -3.094 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.860 -3.889 6.162 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.708 -3.667 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.678 -2.116 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.483 -1.509 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.112 -2.280 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.728 -4.580 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.156 -4.760 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.551 -5.729 4.329 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.868 -6.443 8.276 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.167 -6.768 9.553 1.00 0.00 C ATOM 1185 C TYR A 72 0.333 -6.583 9.374 1.00 0.00 C ATOM 1186 O TYR A 72 0.880 -6.796 8.306 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.438 -8.223 9.926 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.899 -8.385 10.267 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.383 -7.889 11.482 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.765 -9.027 9.376 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.734 -8.033 11.807 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.119 -9.172 9.700 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.603 -8.675 10.917 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.938 -8.815 11.236 1.00 0.00 O ATOM 0 H TYR A 72 -1.608 -7.033 7.486 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.532 -6.106 10.339 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.171 -8.879 9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.820 -8.514 10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.712 -7.395 12.169 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.389 -9.411 8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.108 -7.649 12.745 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.790 -9.666 9.013 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.401 -9.282 10.509 1.00 0.00 H new ATOM 1204 N TYR A 73 1.005 -6.194 10.422 1.00 0.00 N ATOM 1205 CA TYR A 73 2.480 -5.994 10.349 1.00 0.00 C ATOM 1206 C TYR A 73 3.125 -6.612 11.585 1.00 0.00 C ATOM 1207 O TYR A 73 3.138 -6.029 12.650 1.00 0.00 O ATOM 1208 CB TYR A 73 2.786 -4.501 10.294 1.00 0.00 C ATOM 1209 CG TYR A 73 4.280 -4.294 10.331 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.066 -4.699 9.247 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.881 -3.696 11.447 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.451 -4.512 9.278 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.267 -3.508 11.478 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.052 -3.915 10.392 1.00 0.00 C ATOM 1215 OH TYR A 73 8.418 -3.729 10.422 1.00 0.00 O ATOM 0 H TYR A 73 0.591 -6.004 11.335 1.00 0.00 H new ATOM 0 HA TYR A 73 2.878 -6.472 9.454 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.370 -4.067 9.385 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.316 -3.991 11.135 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.602 -5.157 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.274 -3.380 12.283 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.057 -4.828 8.442 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.731 -3.049 12.339 1.00 0.00 H new ATOM 0 HH TYR A 73 8.671 -3.301 11.266 1.00 0.00 H new ATOM 1225 N GLN A 74 3.653 -7.798 11.434 1.00 0.00 N ATOM 1226 CA GLN A 74 4.310 -8.507 12.574 1.00 0.00 C ATOM 1227 C GLN A 74 3.302 -8.738 13.707 1.00 0.00 C ATOM 1228 O GLN A 74 2.922 -9.856 13.997 1.00 0.00 O ATOM 1229 CB GLN A 74 5.492 -7.683 13.097 1.00 0.00 C ATOM 1230 CG GLN A 74 6.255 -8.505 14.138 1.00 0.00 C ATOM 1231 CD GLN A 74 7.433 -7.690 14.671 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.830 -6.708 14.074 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.013 -8.059 15.780 1.00 0.00 N ATOM 0 H GLN A 74 3.657 -8.315 10.554 1.00 0.00 H new ATOM 0 HA GLN A 74 4.674 -9.471 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.154 -7.411 12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.135 -6.753 13.540 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.590 -8.781 14.957 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.614 -9.433 13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.679 -8.883 16.280 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.800 -7.524 16.147 1.00 0.00 H new ATOM 1242 N LYS A 75 2.876 -7.695 14.359 1.00 0.00 N ATOM 1243 CA LYS A 75 1.903 -7.859 15.474 1.00 0.00 C ATOM 1244 C LYS A 75 1.170 -6.534 15.709 1.00 0.00 C ATOM 1245 O LYS A 75 0.466 -6.371 16.688 1.00 0.00 O ATOM 1246 CB LYS A 75 2.656 -8.279 16.744 1.00 0.00 C ATOM 1247 CG LYS A 75 3.704 -7.222 17.110 1.00 0.00 C ATOM 1248 CD LYS A 75 4.407 -7.618 18.413 1.00 0.00 C ATOM 1249 CE LYS A 75 5.374 -8.783 18.168 1.00 0.00 C ATOM 1250 NZ LYS A 75 6.308 -8.901 19.320 1.00 0.00 N ATOM 0 H LYS A 75 3.159 -6.734 14.168 1.00 0.00 H new ATOM 0 HA LYS A 75 1.173 -8.628 15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.953 -8.406 17.567 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.140 -9.243 16.587 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.434 -7.127 16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.227 -6.248 17.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.952 -6.763 18.814 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.667 -7.903 19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.817 -9.711 18.041 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.934 -8.618 17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.964 -9.691 19.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.848 -8.018 19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.766 -9.077 20.190 1.00 0.00 H new ATOM 1264 N GLN A 76 1.337 -5.583 14.819 1.00 0.00 N ATOM 1265 CA GLN A 76 0.661 -4.250 14.980 1.00 0.00 C ATOM 1266 C GLN A 76 -0.319 -4.005 13.833 1.00 0.00 C ATOM 1267 O GLN A 76 -0.021 -4.250 12.678 1.00 0.00 O ATOM 1268 CB GLN A 76 1.714 -3.139 14.991 1.00 0.00 C ATOM 1269 CG GLN A 76 2.478 -3.183 16.315 1.00 0.00 C ATOM 1270 CD GLN A 76 3.551 -2.095 16.326 1.00 0.00 C ATOM 1271 OE1 GLN A 76 4.469 -2.121 15.529 1.00 0.00 O ATOM 1272 NE2 GLN A 76 3.476 -1.134 17.205 1.00 0.00 N ATOM 0 H GLN A 76 1.915 -5.671 13.983 1.00 0.00 H new ATOM 0 HA GLN A 76 0.111 -4.249 15.921 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.403 -3.266 14.156 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.236 -2.167 14.865 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.790 -3.038 17.148 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.938 -4.162 16.448 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.706 -1.113 17.873 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.188 -0.404 17.224 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.488 -3.516 14.146 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.495 -3.245 13.081 1.00 0.00 C ATOM 1283 C LEU A 77 -2.074 -2.012 12.276 1.00 0.00 C ATOM 1284 O LEU A 77 -1.715 -0.988 12.826 1.00 0.00 O ATOM 1285 CB LEU A 77 -3.872 -3.005 13.721 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.895 -2.587 12.649 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -4.944 -3.637 11.529 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.281 -2.463 13.295 1.00 0.00 C ATOM 0 H LEU A 77 -1.789 -3.292 15.094 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.555 -4.105 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.210 -3.912 14.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.796 -2.229 14.483 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.598 -1.628 12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.671 -3.332 10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.960 -3.725 11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.237 -4.601 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.009 -2.167 12.540 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.571 -3.423 13.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.249 -1.710 14.083 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.121 -2.100 10.973 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.727 -0.935 10.121 1.00 0.00 C ATOM 1302 C ILE A 78 -2.979 -0.190 9.652 1.00 0.00 C ATOM 1303 O ILE A 78 -3.130 0.996 9.876 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.965 -1.443 8.900 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.233 -2.289 9.357 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.472 -0.262 8.066 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.148 -1.481 10.294 1.00 0.00 C ATOM 0 H ILE A 78 -2.416 -2.930 10.459 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.098 -0.260 10.701 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.631 -2.055 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.122 -3.183 9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.800 -2.624 8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.071 -0.632 7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.325 0.331 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.190 0.359 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.989 -2.101 10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.520 -0.601 9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.584 -1.168 11.173 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.882 -0.863 8.999 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.104 -0.157 8.522 1.00 0.00 C ATOM 1321 C ALA A 79 -6.199 -1.162 8.172 1.00 0.00 C ATOM 1322 O ALA A 79 -5.941 -2.319 7.908 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.766 0.666 7.279 1.00 0.00 C ATOM 0 H ALA A 79 -3.831 -1.857 8.777 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.461 0.497 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.660 1.182 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.997 1.398 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.399 0.005 6.494 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.427 -0.713 8.159 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.568 -1.614 7.813 1.00 0.00 C ATOM 1331 C ILE A 80 -9.447 -0.931 6.775 1.00 0.00 C ATOM 1332 O ILE A 80 -9.743 0.244 6.875 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.391 -1.903 9.063 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.528 -2.682 10.051 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.611 -2.738 8.680 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.212 -2.736 11.416 1.00 0.00 C ATOM 0 H ILE A 80 -7.691 0.248 8.375 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.183 -2.551 7.411 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.721 -0.969 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.359 -3.693 9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.550 -2.209 10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.203 -2.947 9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.218 -2.187 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.284 -3.677 8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.588 -3.294 12.114 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.358 -1.723 11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.179 -3.230 11.319 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.872 -1.649 5.774 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.732 -1.007 4.740 1.00 0.00 C ATOM 1350 C GLY A 81 -11.252 -2.068 3.781 1.00 0.00 C ATOM 1351 O GLY A 81 -10.864 -3.217 3.838 1.00 0.00 O ATOM 0 H GLY A 81 -9.666 -2.637 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.566 -0.491 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.162 -0.256 4.193 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.136 -1.690 2.898 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.699 -2.673 1.929 1.00 0.00 C ATOM 1357 C PHE A 82 -12.917 -1.996 0.580 1.00 0.00 C ATOM 1358 O PHE A 82 -13.102 -0.797 0.496 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.026 -3.224 2.467 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.982 -2.091 2.757 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -14.887 -1.398 3.969 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.971 -1.741 1.828 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.778 -0.357 4.254 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.864 -0.699 2.120 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.767 -0.010 3.330 1.00 0.00 C ATOM 0 H PHE A 82 -12.494 -0.739 2.806 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.000 -3.499 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.467 -3.905 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.848 -3.800 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.125 -1.667 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.046 -2.272 0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.701 0.178 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.629 -0.429 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.456 0.791 3.552 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.877 -2.760 -0.483 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.059 -2.173 -1.848 1.00 0.00 C ATOM 1377 C ILE A 83 -14.469 -2.470 -2.361 1.00 0.00 C ATOM 1378 O ILE A 83 -14.885 -3.606 -2.455 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.033 -2.794 -2.798 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.664 -2.836 -2.108 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -11.945 -1.950 -4.071 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.589 -3.257 -3.114 1.00 0.00 C ATOM 0 H ILE A 83 -12.726 -3.769 -0.465 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.918 -1.093 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.338 -3.808 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.425 -1.856 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.688 -3.537 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.215 -2.390 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.920 -1.921 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.637 -0.936 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.618 -3.285 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.825 -4.246 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.557 -2.540 -3.934 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.213 -1.454 -2.689 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.600 -1.669 -3.180 1.00 0.00 C ATOM 1396 C ASP A 84 -16.614 -1.781 -4.700 1.00 0.00 C ATOM 1397 O ASP A 84 -15.841 -1.157 -5.405 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.452 -0.500 -2.715 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.380 -0.454 -1.190 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -17.705 -1.459 -0.577 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -16.963 0.566 -0.669 1.00 0.00 O ATOM 0 H ASP A 84 -14.919 -0.479 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.002 -2.600 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.088 0.434 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.483 -0.622 -3.046 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.487 -2.599 -5.198 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.582 -2.815 -6.663 1.00 0.00 C ATOM 1408 C GLU A 85 -16.186 -3.069 -7.238 1.00 0.00 C ATOM 1409 O GLU A 85 -15.582 -4.093 -6.990 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.209 -1.596 -7.335 1.00 0.00 C ATOM 1411 CG GLU A 85 -19.673 -1.493 -6.914 1.00 0.00 C ATOM 1412 CD GLU A 85 -20.292 -0.229 -7.512 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.601 0.452 -8.251 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.446 0.035 -7.221 1.00 0.00 O ATOM 0 H GLU A 85 -18.152 -3.138 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.213 -3.683 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.671 -0.691 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -18.134 -1.684 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.221 -2.373 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.748 -1.467 -5.827 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.677 -2.146 -8.014 1.00 0.00 N ATOM 1422 CA ASN A 86 -14.323 -2.321 -8.626 1.00 0.00 C ATOM 1423 C ASN A 86 -13.381 -1.219 -8.129 1.00 0.00 C ATOM 1424 O ASN A 86 -12.258 -1.103 -8.577 1.00 0.00 O ATOM 1425 CB ASN A 86 -14.458 -2.246 -10.151 1.00 0.00 C ATOM 1426 CG ASN A 86 -14.949 -0.857 -10.562 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -15.021 0.044 -9.748 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -15.295 -0.645 -11.802 1.00 0.00 N ATOM 0 H ASN A 86 -16.145 -1.271 -8.252 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.909 -3.288 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.497 -2.455 -10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.156 -3.006 -10.501 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.626 0.276 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.235 -1.401 -12.485 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.821 -0.407 -7.204 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.927 0.679 -6.700 1.00 0.00 C ATOM 1437 C HIS A 87 -13.461 1.240 -5.378 1.00 0.00 C ATOM 1438 O HIS A 87 -14.099 0.550 -4.607 1.00 0.00 O ATOM 1439 CB HIS A 87 -12.861 1.815 -7.735 1.00 0.00 C ATOM 1440 CG HIS A 87 -11.635 2.653 -7.489 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.706 3.969 -7.055 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -10.299 2.366 -7.598 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -10.444 4.419 -6.922 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -9.548 3.482 -7.241 1.00 0.00 N ATOM 0 H HIS A 87 -14.748 -0.446 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.933 0.263 -6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.834 1.401 -8.743 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.756 2.434 -7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.891 1.417 -7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.188 5.416 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.532 3.566 -7.226 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.193 2.499 -5.129 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.662 3.164 -3.876 1.00 0.00 C ATOM 1454 C ASP A 88 -12.999 2.513 -2.661 1.00 0.00 C ATOM 1455 O ASP A 88 -13.418 1.475 -2.185 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.187 3.066 -3.757 1.00 0.00 C ATOM 1457 CG ASP A 88 -15.664 3.987 -2.632 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -14.817 4.537 -1.945 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -16.865 4.128 -2.476 1.00 0.00 O ATOM 0 H ASP A 88 -12.659 3.103 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.383 4.217 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.656 3.350 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.482 2.037 -3.551 1.00 0.00 H new ATOM 1464 N MET A 89 -11.958 3.120 -2.158 1.00 0.00 N ATOM 1465 CA MET A 89 -11.248 2.548 -0.978 1.00 0.00 C ATOM 1466 C MET A 89 -11.830 3.156 0.299 1.00 0.00 C ATOM 1467 O MET A 89 -11.576 4.296 0.639 1.00 0.00 O ATOM 1468 CB MET A 89 -9.758 2.885 -1.087 1.00 0.00 C ATOM 1469 CG MET A 89 -9.208 2.319 -2.402 1.00 0.00 C ATOM 1470 SD MET A 89 -9.377 0.515 -2.418 1.00 0.00 S ATOM 1471 CE MET A 89 -8.195 0.148 -1.096 1.00 0.00 C ATOM 0 H MET A 89 -11.567 3.992 -2.516 1.00 0.00 H new ATOM 0 HA MET A 89 -11.374 1.466 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.614 3.965 -1.053 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.215 2.464 -0.241 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.746 2.750 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.160 2.595 -2.516 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.782 -0.850 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.389 0.881 -1.115 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.702 0.191 -0.132 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.618 2.392 1.007 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.241 2.896 2.267 1.00 0.00 C ATOM 1483 C ASP A 90 -12.443 2.394 3.469 1.00 0.00 C ATOM 1484 O ASP A 90 -12.373 1.209 3.731 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.674 2.376 2.359 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.408 3.105 3.484 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.737 3.631 4.358 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.627 3.123 3.457 1.00 0.00 O ATOM 0 H ASP A 90 -12.859 1.431 0.764 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.242 3.986 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.191 2.532 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.671 1.302 2.547 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.835 3.292 4.200 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.029 2.886 5.391 1.00 0.00 C ATOM 1495 C PHE A 91 -11.789 3.236 6.669 1.00 0.00 C ATOM 1496 O PHE A 91 -12.242 4.349 6.858 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.695 3.632 5.376 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.927 3.252 4.135 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.190 2.062 4.106 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.950 4.089 3.013 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.478 1.709 2.956 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.237 3.735 1.860 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.500 2.545 1.834 1.00 0.00 C ATOM 0 H PHE A 91 -11.862 4.296 4.022 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.851 1.811 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.867 4.708 5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.116 3.384 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.172 1.417 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.517 5.008 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.911 0.790 2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.256 4.379 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.948 2.272 0.947 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.925 2.287 7.551 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.642 2.533 8.835 1.00 0.00 C ATOM 1515 C LEU A 92 -11.604 2.805 9.921 1.00 0.00 C ATOM 1516 O LEU A 92 -11.884 3.418 10.934 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.438 1.279 9.201 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.288 0.843 8.003 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.068 -0.425 8.366 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.266 1.963 7.627 1.00 0.00 C ATOM 0 H LEU A 92 -11.566 1.339 7.437 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.317 3.383 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.759 0.476 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.078 1.480 10.060 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.638 0.637 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.673 -0.736 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.369 -1.221 8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.717 -0.221 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.869 1.649 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.918 2.176 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.707 2.861 7.365 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.399 2.359 9.714 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.335 2.597 10.729 1.00 0.00 C ATOM 1534 C TYR A 93 -7.991 2.715 10.027 1.00 0.00 C ATOM 1535 O TYR A 93 -7.523 1.787 9.396 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.288 1.433 11.718 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.191 1.683 12.725 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.389 2.610 13.754 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -6.977 0.989 12.632 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.375 2.845 14.690 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -5.963 1.225 13.567 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.162 2.152 14.596 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.164 2.382 15.520 1.00 0.00 O ATOM 0 H TYR A 93 -10.103 1.840 8.887 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.553 3.518 11.270 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.248 1.332 12.225 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.107 0.497 11.189 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.325 3.145 13.826 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.824 0.272 11.839 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.528 3.561 15.484 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.027 0.692 13.494 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.389 1.819 15.311 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.365 3.857 10.134 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.041 4.067 9.476 1.00 0.00 C ATOM 1555 C LEU A 94 -4.979 4.327 10.540 1.00 0.00 C ATOM 1556 O LEU A 94 -5.093 5.234 11.341 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.131 5.276 8.539 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.816 5.443 7.760 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.537 4.190 6.901 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.911 6.687 6.859 1.00 0.00 C ATOM 0 H LEU A 94 -7.717 4.661 10.654 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.771 3.179 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.960 5.145 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.338 6.178 9.116 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.996 5.567 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.603 4.323 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.458 3.316 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.353 4.045 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.980 6.807 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.737 6.566 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.084 7.570 7.475 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.939 3.539 10.546 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.846 3.727 11.544 1.00 0.00 C ATOM 1574 C HIS A 95 -1.503 3.620 10.825 1.00 0.00 C ATOM 1575 O HIS A 95 -1.101 2.558 10.390 1.00 0.00 O ATOM 1576 CB HIS A 95 -2.944 2.644 12.621 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.749 2.734 13.527 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.832 3.231 14.817 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -0.432 2.402 13.337 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.596 3.182 15.349 1.00 0.00 C ATOM 1581 NE2 HIS A 95 0.295 2.684 14.488 1.00 0.00 N ATOM 0 H HIS A 95 -3.798 2.765 9.896 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.936 4.705 12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.861 2.769 13.197 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.990 1.658 12.158 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.675 3.572 15.279 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.021 1.984 12.430 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.355 3.506 16.351 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.806 4.716 10.694 1.00 0.00 N ATOM 1590 CA ASN A 96 0.517 4.694 10.002 1.00 0.00 C ATOM 1591 C ASN A 96 1.628 4.700 11.046 1.00 0.00 C ATOM 1592 O ASN A 96 1.992 5.734 11.567 1.00 0.00 O ATOM 1593 CB ASN A 96 0.640 5.936 9.122 1.00 0.00 C ATOM 1594 CG ASN A 96 1.967 5.893 8.363 1.00 0.00 C ATOM 1595 OD1 ASN A 96 2.075 5.249 7.339 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.992 6.551 8.830 1.00 0.00 N ATOM 0 H ASN A 96 -1.097 5.631 11.038 1.00 0.00 H new ATOM 0 HA ASN A 96 0.600 3.798 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.192 5.981 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.588 6.836 9.735 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.884 6.524 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.902 7.092 9.690 1.00 0.00 H new ATOM 1603 N THR A 97 2.167 3.541 11.340 1.00 0.00 N ATOM 1604 CA THR A 97 3.270 3.413 12.352 1.00 0.00 C ATOM 1605 C THR A 97 3.189 4.517 13.411 1.00 0.00 C ATOM 1606 O THR A 97 4.020 5.402 13.474 1.00 0.00 O ATOM 1607 CB THR A 97 4.618 3.475 11.632 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.682 4.655 10.840 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.763 2.244 10.735 1.00 0.00 C ATOM 0 H THR A 97 1.884 2.659 10.913 1.00 0.00 H new ATOM 0 HA THR A 97 3.163 2.457 12.864 1.00 0.00 H new ATOM 0 HB THR A 97 5.425 3.492 12.364 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.607 5.442 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.722 2.281 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.714 1.342 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.956 2.231 10.002 1.00 0.00 H new ATOM 1617 N VAL A 98 2.185 4.456 14.238 1.00 0.00 N ATOM 1618 CA VAL A 98 2.014 5.477 15.308 1.00 0.00 C ATOM 1619 C VAL A 98 1.796 6.859 14.695 1.00 0.00 C ATOM 1620 O VAL A 98 2.522 7.797 14.958 1.00 0.00 O ATOM 1621 CB VAL A 98 3.241 5.474 16.219 1.00 0.00 C ATOM 1622 CG1 VAL A 98 2.948 6.281 17.485 1.00 0.00 C ATOM 1623 CG2 VAL A 98 3.551 4.025 16.592 1.00 0.00 C ATOM 0 H VAL A 98 1.466 3.733 14.218 1.00 0.00 H new ATOM 0 HA VAL A 98 1.134 5.231 15.903 1.00 0.00 H new ATOM 0 HB VAL A 98 4.092 5.924 15.708 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.826 6.276 18.131 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.703 7.308 17.213 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.106 5.835 18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.425 3.996 17.243 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.696 3.592 17.112 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.754 3.452 15.687 1.00 0.00 H new ATOM 1633 N MET A 99 0.770 6.984 13.905 1.00 0.00 N ATOM 1634 CA MET A 99 0.443 8.304 13.285 1.00 0.00 C ATOM 1635 C MET A 99 -0.867 8.196 12.498 1.00 0.00 C ATOM 1636 O MET A 99 -0.875 8.337 11.292 1.00 0.00 O ATOM 1637 CB MET A 99 1.563 8.743 12.330 1.00 0.00 C ATOM 1638 CG MET A 99 1.236 10.126 11.731 1.00 0.00 C ATOM 1639 SD MET A 99 2.774 11.039 11.454 1.00 0.00 S ATOM 1640 CE MET A 99 2.913 11.715 13.126 1.00 0.00 C ATOM 0 H MET A 99 0.136 6.224 13.657 1.00 0.00 H new ATOM 0 HA MET A 99 0.340 9.042 14.081 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.512 8.785 12.865 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.679 8.010 11.531 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.695 10.009 10.792 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.586 10.683 12.406 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.811 12.329 13.197 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.037 12.326 13.345 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.975 10.898 13.845 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.965 7.951 13.168 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.296 7.832 12.501 1.00 0.00 C ATOM 1652 C PRO A 100 -3.738 9.166 11.878 1.00 0.00 C ATOM 1653 O PRO A 100 -3.569 10.222 12.458 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.253 7.405 13.640 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.362 6.955 14.758 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.074 7.757 14.618 1.00 0.00 C ATOM 0 HA PRO A 100 -3.280 7.119 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.887 8.235 13.952 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.915 6.602 13.317 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.830 7.134 15.726 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.164 5.885 14.693 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.130 8.707 15.150 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.216 7.217 15.019 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.306 9.117 10.703 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.772 10.366 10.028 1.00 0.00 C ATOM 1666 C LEU A 101 -6.301 10.387 10.022 1.00 0.00 C ATOM 1667 O LEU A 101 -6.919 11.433 9.967 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.245 10.372 8.593 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.738 10.084 8.606 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.207 10.098 7.171 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -2.009 11.150 9.442 1.00 0.00 C ATOM 0 H LEU A 101 -4.469 8.259 10.177 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.403 11.245 10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.765 9.621 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.438 11.338 8.126 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.560 9.104 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.136 9.894 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.719 9.334 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.387 11.077 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.940 10.940 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.183 12.135 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.387 11.132 10.464 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.928 9.241 10.091 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.417 9.222 10.102 1.00 0.00 C ATOM 1685 C LEU A 102 -8.907 8.005 10.895 1.00 0.00 C ATOM 1686 O LEU A 102 -8.741 6.871 10.490 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.945 9.151 8.660 1.00 0.00 C ATOM 1688 CG LEU A 102 -10.393 9.655 8.608 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.864 9.693 7.155 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -11.308 8.733 9.432 1.00 0.00 C ATOM 0 H LEU A 102 -6.477 8.327 10.140 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.788 10.132 10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.317 9.754 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.895 8.125 8.295 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.438 10.658 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.893 10.051 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.224 10.364 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.812 8.691 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.333 9.102 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.268 7.723 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.973 8.720 10.469 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.520 8.241 12.023 1.00 0.00 N ATOM 1703 CA ASP A 103 -10.044 7.119 12.855 1.00 0.00 C ATOM 1704 C ASP A 103 -11.288 7.606 13.602 1.00 0.00 C ATOM 1705 O ASP A 103 -11.195 8.305 14.592 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.979 6.681 13.864 1.00 0.00 C ATOM 1707 CG ASP A 103 -9.583 5.670 14.842 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -10.671 5.188 14.570 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.952 5.399 15.851 1.00 0.00 O ATOM 0 H ASP A 103 -9.682 9.172 12.408 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.297 6.271 12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.131 6.236 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.601 7.547 14.408 1.00 0.00 H new ATOM 1714 N GLN A 104 -12.452 7.248 13.122 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.721 7.688 13.782 1.00 0.00 C ATOM 1716 C GLN A 104 -14.421 6.490 14.415 1.00 0.00 C ATOM 1717 O GLN A 104 -14.848 5.569 13.748 1.00 0.00 O ATOM 1718 CB GLN A 104 -14.634 8.330 12.734 1.00 0.00 C ATOM 1719 CG GLN A 104 -14.040 9.679 12.327 1.00 0.00 C ATOM 1720 CD GLN A 104 -14.909 10.321 11.247 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -15.053 9.785 10.165 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -15.497 11.458 11.497 1.00 0.00 N ATOM 0 H GLN A 104 -12.579 6.665 12.295 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.493 8.414 14.563 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.726 7.680 11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.637 8.465 13.139 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.977 10.336 13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -13.024 9.543 11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -15.375 11.906 12.405 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -16.079 11.899 10.784 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.553 6.517 15.709 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.238 5.412 16.432 1.00 0.00 C ATOM 1733 C ARG A 105 -16.708 5.385 16.005 1.00 0.00 C ATOM 1734 O ARG A 105 -17.329 4.344 15.907 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.153 5.680 17.933 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.712 5.487 18.413 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.627 5.802 19.908 1.00 0.00 C ATOM 1738 NE ARG A 105 -12.225 5.593 20.383 1.00 0.00 N ATOM 1739 CZ ARG A 105 -11.841 4.428 20.842 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.680 3.429 20.901 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -10.611 4.265 21.242 1.00 0.00 N ATOM 0 H ARG A 105 -14.210 7.270 16.306 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.767 4.457 16.201 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.485 6.695 18.150 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.819 5.005 18.471 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.389 4.463 18.227 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.041 6.139 17.854 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.935 6.831 20.092 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.310 5.161 20.465 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.560 6.366 20.349 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.643 3.553 20.588 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.372 2.525 21.260 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.953 5.043 21.197 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.307 3.360 21.600 1.00 0.00 H new ATOM 1755 N TYR A 106 -17.261 6.536 15.756 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.688 6.618 15.336 1.00 0.00 C ATOM 1757 C TYR A 106 -18.871 5.850 14.025 1.00 0.00 C ATOM 1758 O TYR A 106 -19.820 5.112 13.844 1.00 0.00 O ATOM 1759 CB TYR A 106 -19.046 8.090 15.123 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.761 8.857 16.392 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.705 8.879 17.422 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.543 9.535 16.543 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.437 9.580 18.604 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -17.272 10.233 17.725 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.218 10.257 18.757 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.951 10.942 19.924 1.00 0.00 O ATOM 0 H TYR A 106 -16.782 7.434 15.826 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.334 6.185 16.099 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.467 8.502 14.297 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.098 8.186 14.854 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.642 8.355 17.306 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.814 9.518 15.747 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.169 9.599 19.398 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.333 10.753 17.841 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.063 11.353 19.866 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.960 6.015 13.113 1.00 0.00 N ATOM 1777 CA LEU A 107 -18.068 5.291 11.814 1.00 0.00 C ATOM 1778 C LEU A 107 -17.975 3.782 12.073 1.00 0.00 C ATOM 1779 O LEU A 107 -18.707 2.990 11.510 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.918 5.726 10.898 1.00 0.00 C ATOM 1781 CG LEU A 107 -17.009 4.998 9.547 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -18.336 5.340 8.848 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -15.828 5.422 8.659 1.00 0.00 C ATOM 0 H LEU A 107 -17.144 6.619 13.207 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.020 5.522 11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.956 6.804 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.962 5.507 11.374 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.970 3.922 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.389 4.819 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.170 5.029 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.391 6.415 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.890 4.907 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.864 6.499 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.891 5.161 9.151 1.00 0.00 H new ATOM 1795 N LEU A 108 -17.072 3.385 12.923 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.916 1.933 13.233 1.00 0.00 C ATOM 1797 C LEU A 108 -18.196 1.414 13.893 1.00 0.00 C ATOM 1798 O LEU A 108 -18.658 0.323 13.617 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.732 1.751 14.191 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.400 1.804 13.416 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.254 2.137 14.380 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.105 0.446 12.758 1.00 0.00 C ATOM 0 H LEU A 108 -16.431 4.004 13.420 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.733 1.375 12.314 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.749 2.531 14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.820 0.797 14.711 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.482 2.571 12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.314 2.174 13.829 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.440 3.105 14.845 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.193 1.369 15.151 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.161 0.502 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.036 -0.324 13.527 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.908 0.196 12.065 1.00 0.00 H new ATOM 1814 N THR A 109 -18.770 2.190 14.768 1.00 0.00 N ATOM 1815 CA THR A 109 -20.020 1.755 15.458 1.00 0.00 C ATOM 1816 C THR A 109 -21.232 2.260 14.667 1.00 0.00 C ATOM 1817 O THR A 109 -22.370 2.017 15.021 1.00 0.00 O ATOM 1818 CB THR A 109 -20.037 2.337 16.876 1.00 0.00 C ATOM 1819 OG1 THR A 109 -20.100 3.753 16.803 1.00 0.00 O ATOM 1820 CG2 THR A 109 -18.763 1.916 17.616 1.00 0.00 C ATOM 0 H THR A 109 -18.427 3.112 15.038 1.00 0.00 H new ATOM 0 HA THR A 109 -20.059 0.667 15.516 1.00 0.00 H new ATOM 0 HB THR A 109 -20.908 1.963 17.414 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.219 4.108 16.559 1.00 0.00 H new ATOM 0 HG21 THR A 109 -18.774 2.330 18.624 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.716 0.828 17.670 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.891 2.290 17.080 1.00 0.00 H new ATOM 1828 N GLY A 110 -20.991 2.956 13.591 1.00 0.00 N ATOM 1829 CA GLY A 110 -22.120 3.477 12.758 1.00 0.00 C ATOM 1830 C GLY A 110 -22.563 4.850 13.275 1.00 0.00 C ATOM 1831 O GLY A 110 -23.487 4.971 14.058 1.00 0.00 O ATOM 0 H GLY A 110 -20.059 3.189 13.249 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.808 3.555 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.957 2.780 12.789 1.00 0.00 H new ATOM 1835 N GLY A 111 -21.903 5.886 12.839 1.00 0.00 N ATOM 1836 CA GLY A 111 -22.264 7.260 13.293 1.00 0.00 C ATOM 1837 C GLY A 111 -23.614 7.687 12.707 1.00 0.00 C ATOM 1838 O GLY A 111 -23.998 7.284 11.625 1.00 0.00 O ATOM 0 H GLY A 111 -21.123 5.841 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.309 7.288 14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.490 7.964 12.988 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.334 8.507 13.423 1.00 0.00 N ATOM 1843 CA GLN A 112 -25.661 8.975 12.935 1.00 0.00 C ATOM 1844 C GLN A 112 -25.480 10.105 11.920 1.00 0.00 C ATOM 1845 O GLN A 112 -24.572 10.909 12.014 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.488 9.468 14.124 1.00 0.00 C ATOM 1847 CG GLN A 112 -25.779 10.644 14.805 1.00 0.00 C ATOM 1848 CD GLN A 112 -26.576 11.069 16.041 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -27.409 10.328 16.527 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -26.358 12.240 16.573 1.00 0.00 N ATOM 0 H GLN A 112 -24.057 8.875 14.333 1.00 0.00 H new ATOM 0 HA GLN A 112 -26.179 8.149 12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -27.478 9.776 13.786 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -26.633 8.657 14.838 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -24.767 10.357 15.092 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -25.689 11.480 14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -25.660 12.863 16.167 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -26.886 12.533 17.395 1.00 0.00 H new ATOM 1859 N LEU A 113 -26.339 10.160 10.943 1.00 0.00 N ATOM 1860 CA LEU A 113 -26.229 11.222 9.903 1.00 0.00 C ATOM 1861 C LEU A 113 -26.544 12.596 10.505 1.00 0.00 C ATOM 1862 O LEU A 113 -27.475 12.763 11.268 1.00 0.00 O ATOM 1863 CB LEU A 113 -27.209 10.914 8.765 1.00 0.00 C ATOM 1864 CG LEU A 113 -27.159 12.020 7.700 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -25.728 12.175 7.160 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -28.110 11.655 6.554 1.00 0.00 C ATOM 0 H LEU A 113 -27.117 9.512 10.818 1.00 0.00 H new ATOM 0 HA LEU A 113 -25.210 11.241 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -26.961 9.954 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -28.221 10.828 9.161 1.00 0.00 H new ATOM 0 HG LEU A 113 -27.466 12.966 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -25.707 12.962 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -25.057 12.438 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -25.404 11.235 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -28.080 12.436 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -27.802 10.707 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -29.125 11.563 6.939 1.00 0.00 H new ATOM 1878 N GLU A 114 -25.766 13.584 10.154 1.00 0.00 N ATOM 1879 CA GLU A 114 -26.003 14.953 10.691 1.00 0.00 C ATOM 1880 C GLU A 114 -27.444 15.382 10.403 1.00 0.00 C ATOM 1881 O GLU A 114 -28.018 15.060 9.380 1.00 0.00 O ATOM 1882 CB GLU A 114 -25.034 15.936 10.026 1.00 0.00 C ATOM 1883 CG GLU A 114 -25.147 17.312 10.690 1.00 0.00 C ATOM 1884 CD GLU A 114 -24.589 17.242 12.115 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -24.017 16.219 12.456 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -24.738 18.213 12.837 1.00 0.00 O ATOM 0 H GLU A 114 -24.974 13.501 9.516 1.00 0.00 H new ATOM 0 HA GLU A 114 -25.839 14.950 11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -24.012 15.565 10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -25.258 16.017 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -24.598 18.053 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -26.189 17.632 10.712 1.00 0.00 H new ATOM 1893 N HIS A 115 -28.032 16.109 11.311 1.00 0.00 N ATOM 1894 CA HIS A 115 -29.434 16.568 11.120 1.00 0.00 C ATOM 1895 C HIS A 115 -29.440 18.004 10.602 1.00 0.00 C ATOM 1896 O HIS A 115 -28.865 18.898 11.190 1.00 0.00 O ATOM 1897 CB HIS A 115 -30.162 16.512 12.460 1.00 0.00 C ATOM 1898 CG HIS A 115 -30.213 15.087 12.935 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -31.094 14.163 12.398 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -29.496 14.412 13.892 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -30.889 12.993 13.031 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -29.925 13.090 13.951 1.00 0.00 N ATOM 0 H HIS A 115 -27.597 16.407 12.184 1.00 0.00 H new ATOM 0 HA HIS A 115 -29.934 15.923 10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -29.648 17.134 13.193 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -31.172 16.910 12.356 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -28.718 14.842 14.505 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -31.437 12.086 12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -29.578 12.353 14.565 1.00 0.00 H new ATOM 1910 N HIS A 116 -30.101 18.222 9.499 1.00 0.00 N ATOM 1911 CA HIS A 116 -30.189 19.588 8.906 1.00 0.00 C ATOM 1912 C HIS A 116 -31.620 20.105 9.096 1.00 0.00 C ATOM 1913 O HIS A 116 -31.986 21.162 8.618 1.00 0.00 O ATOM 1914 CB HIS A 116 -29.861 19.498 7.417 1.00 0.00 C ATOM 1915 CG HIS A 116 -29.954 20.862 6.802 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -31.132 21.346 6.258 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -29.028 21.862 6.647 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -30.887 22.588 5.804 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -29.619 22.952 6.015 1.00 0.00 N ATOM 0 H HIS A 116 -30.593 17.499 8.974 1.00 0.00 H new ATOM 0 HA HIS A 116 -29.486 20.267 9.389 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -28.859 19.092 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -30.552 18.816 6.922 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -27.998 21.811 6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -31.626 23.215 5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -29.179 23.838 5.766 1.00 0.00 H new ATOM 1927 N HIS A 117 -32.431 19.356 9.798 1.00 0.00 N ATOM 1928 CA HIS A 117 -33.841 19.788 10.033 1.00 0.00 C ATOM 1929 C HIS A 117 -33.874 20.765 11.213 1.00 0.00 C ATOM 1930 O HIS A 117 -34.920 21.126 11.718 1.00 0.00 O ATOM 1931 CB HIS A 117 -34.706 18.553 10.340 1.00 0.00 C ATOM 1932 CG HIS A 117 -34.406 18.031 11.723 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -33.355 18.249 12.583 1.00 0.00 N flip ATOM 1934 CD2 HIS A 117 -35.258 17.158 12.382 1.00 0.00 C flip ATOM 1935 CE1 HIS A 117 -33.552 17.525 13.755 1.00 0.00 C flip ATOM 1936 NE2 HIS A 117 -34.712 16.885 13.583 1.00 0.00 N flip ATOM 0 H HIS A 117 -32.177 18.462 10.219 1.00 0.00 H new ATOM 0 HA HIS A 117 -34.235 20.284 9.146 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -35.762 18.813 10.264 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -34.515 17.775 9.601 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -36.190 16.768 12.002 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -32.905 17.488 14.619 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -35.133 16.266 14.276 1.00 0.00 H new ATOM 1944 N HIS A 118 -32.725 21.193 11.648 1.00 0.00 N ATOM 1945 CA HIS A 118 -32.655 22.145 12.794 1.00 0.00 C ATOM 1946 C HIS A 118 -33.551 21.674 13.945 1.00 0.00 C ATOM 1947 O HIS A 118 -34.166 20.628 13.897 1.00 0.00 O ATOM 1948 CB HIS A 118 -33.119 23.530 12.343 1.00 0.00 C ATOM 1949 CG HIS A 118 -32.161 24.071 11.321 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -32.364 23.906 9.960 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -30.990 24.773 11.444 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -31.338 24.499 9.324 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -30.470 25.044 10.182 1.00 0.00 N ATOM 0 H HIS A 118 -31.822 20.923 11.257 1.00 0.00 H new ATOM 0 HA HIS A 118 -31.622 22.189 13.139 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -34.122 23.469 11.921 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -33.173 24.203 13.198 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -30.539 25.071 12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -31.229 24.531 8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -29.612 25.549 9.960 1.00 0.00 H new ATOM 1961 N HIS A 119 -33.618 22.460 14.983 1.00 0.00 N ATOM 1962 CA HIS A 119 -34.457 22.103 16.158 1.00 0.00 C ATOM 1963 C HIS A 119 -34.878 23.396 16.861 1.00 0.00 C ATOM 1964 O HIS A 119 -36.034 23.603 17.180 1.00 0.00 O ATOM 1965 CB HIS A 119 -33.636 21.249 17.125 1.00 0.00 C ATOM 1966 CG HIS A 119 -34.504 20.825 18.274 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -34.680 21.615 19.398 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -35.259 19.699 18.484 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -35.511 20.959 20.228 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -35.894 19.785 19.719 1.00 0.00 N ATOM 0 H HIS A 119 -33.120 23.346 15.067 1.00 0.00 H new ATOM 0 HA HIS A 119 -35.336 21.543 15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -33.242 20.373 16.610 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -32.780 21.815 17.491 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -35.347 18.872 17.795 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -35.830 21.336 21.189 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -36.518 19.099 20.144 1.00 0.00 H new ATOM 1978 N HIS A 120 -33.937 24.269 17.096 1.00 0.00 N ATOM 1979 CA HIS A 120 -34.255 25.561 17.774 1.00 0.00 C ATOM 1980 C HIS A 120 -35.076 25.297 19.039 1.00 0.00 C ATOM 1981 O HIS A 120 -36.291 25.246 18.938 1.00 0.00 O ATOM 1982 CB HIS A 120 -35.052 26.463 16.824 1.00 0.00 C ATOM 1983 CG HIS A 120 -34.224 26.759 15.600 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -33.140 27.624 15.630 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -34.311 26.314 14.305 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -32.624 27.672 14.387 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -33.300 26.891 13.541 1.00 0.00 N ATOM 1988 OXT HIS A 120 -34.474 25.155 20.091 1.00 0.00 O ATOM 0 H HIS A 120 -32.956 24.144 16.847 1.00 0.00 H new ATOM 0 HA HIS A 120 -33.324 26.057 18.047 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -35.983 25.974 16.537 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -35.321 27.392 17.327 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -35.052 25.621 13.934 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -31.768 28.269 14.109 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -33.115 26.748 12.548 1.00 0.00 H new TER 1996 HIS A 120