USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=27 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 25 CYS SG : rot -14:sc= 0.944 USER MOD Set 1.2: A 27 SER OG : rot 5:sc= 1.19 USER MOD Set 1.3: A 54 ASN : amide:sc= 1.99! C(o=4.7!,f=0.69!) USER MOD Set 1.4: A 56 TYR OH : rot -94:sc= 0.531 USER MOD Set 2.1: A 9 HIS : no HD1:sc= -3.65! C(o=-9!,f=-11!) USER MOD Set 2.2: A 13 ASN : amide:sc= -5.4! C(o=-9!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.168 (180deg=-0.724) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.83) USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= -1.77 (180deg=-3.26!) USER MOD Single : A 10 TYR OH : rot 25:sc= 0.977 USER MOD Single : A 12 THR OG1 : rot -99:sc= 0.228 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 40 TYR OH : rot 165:sc= -1.72 USER MOD Single : A 47 SER OG : rot -140:sc= 0.601 USER MOD Single : A 48 ASN : amide:sc= -0.0961 K(o=-0.096,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.348 (180deg=0.348) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.81 F(o=-5.7!,f=-1.8) USER MOD Single : A 53 THR OG1 : rot 100:sc= -0.936 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 58 SER OG : rot 180:sc= -0.159 USER MOD Single : A 60 THR OG1 : rot -124:sc= -2.59! USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.14) 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 : amide:sc= -2.8! C(o=-2.8!,f=-3.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -151:sc= -0.38 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.18) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 86 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -5.05! C(o=-5.8!,f=-5.1!) USER MOD Single : A 89 MET CE :methyl 165:sc= -0.0279 (180deg=-0.268) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-7.7!) USER MOD Single : A 96 ASN : amide:sc= -11.4! C(o=-11!,f=-21!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.4) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 112 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.096) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.77) USER MOD Single : A 118 HIS : no HD1:sc= -0.0881 K(o=-0.088,f=-3.3!) USER MOD Single : A 119 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.057) USER MOD Single : A 120 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.792 -10.649 19.466 1.00 0.00 N ATOM 2 CA MET A 1 -8.131 -9.512 18.565 1.00 0.00 C ATOM 3 C MET A 1 -9.650 -9.436 18.389 1.00 0.00 C ATOM 4 O MET A 1 -10.285 -10.389 17.981 1.00 0.00 O ATOM 5 CB MET A 1 -7.457 -9.714 17.199 1.00 0.00 C ATOM 6 CG MET A 1 -7.497 -11.195 16.806 1.00 0.00 C ATOM 7 SD MET A 1 -6.747 -11.396 15.170 1.00 0.00 S ATOM 8 CE MET A 1 -7.112 -13.157 14.962 1.00 0.00 C ATOM 0 H1 MET A 1 -6.784 -10.885 19.363 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.986 -10.380 20.452 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.369 -11.476 19.213 1.00 0.00 H new ATOM 0 HA MET A 1 -7.772 -8.581 19.005 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.964 -9.115 16.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.424 -9.368 17.240 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.960 -11.794 17.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.526 -11.553 16.794 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.729 -13.497 13.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.636 -13.724 15.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.190 -13.312 14.999 1.00 0.00 H new ATOM 20 N THR A 2 -10.236 -8.305 18.691 1.00 0.00 N ATOM 21 CA THR A 2 -11.716 -8.147 18.545 1.00 0.00 C ATOM 22 C THR A 2 -12.011 -7.393 17.245 1.00 0.00 C ATOM 23 O THR A 2 -13.145 -7.268 16.832 1.00 0.00 O ATOM 24 CB THR A 2 -12.253 -7.346 19.735 1.00 0.00 C ATOM 25 OG1 THR A 2 -11.937 -8.027 20.941 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.770 -7.190 19.620 1.00 0.00 C ATOM 0 H THR A 2 -9.749 -7.478 19.035 1.00 0.00 H new ATOM 0 HA THR A 2 -12.196 -9.125 18.517 1.00 0.00 H new ATOM 0 HB THR A 2 -11.793 -6.358 19.738 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.278 -7.516 21.704 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.143 -6.619 20.471 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.013 -6.665 18.696 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.237 -8.175 19.611 1.00 0.00 H new ATOM 34 N LEU A 3 -10.991 -6.895 16.599 1.00 0.00 N ATOM 35 CA LEU A 3 -11.194 -6.151 15.324 1.00 0.00 C ATOM 36 C LEU A 3 -11.767 -7.101 14.272 1.00 0.00 C ATOM 37 O LEU A 3 -12.635 -6.743 13.504 1.00 0.00 O ATOM 38 CB LEU A 3 -9.844 -5.606 14.842 1.00 0.00 C ATOM 39 CG LEU A 3 -9.497 -4.312 15.596 1.00 0.00 C ATOM 40 CD1 LEU A 3 -10.447 -3.162 15.187 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.600 -4.569 17.107 1.00 0.00 C ATOM 0 H LEU A 3 -10.020 -6.973 16.902 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.887 -5.325 15.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.064 -6.350 15.003 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.883 -5.412 13.770 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.480 -4.014 15.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.181 -2.258 15.734 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.356 -2.978 14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.475 -3.438 15.421 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.355 -3.656 17.649 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.616 -4.877 17.355 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.902 -5.357 17.390 1.00 0.00 H new ATOM 53 N GLU A 4 -11.279 -8.308 14.227 1.00 0.00 N ATOM 54 CA GLU A 4 -11.788 -9.278 13.225 1.00 0.00 C ATOM 55 C GLU A 4 -13.295 -9.442 13.416 1.00 0.00 C ATOM 56 O GLU A 4 -14.059 -9.396 12.473 1.00 0.00 O ATOM 57 CB GLU A 4 -11.097 -10.623 13.447 1.00 0.00 C ATOM 58 CG GLU A 4 -9.606 -10.500 13.124 1.00 0.00 C ATOM 59 CD GLU A 4 -9.424 -10.237 11.629 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.335 -10.548 10.880 1.00 0.00 O ATOM 61 OE2 GLU A 4 -8.378 -9.731 11.259 1.00 0.00 O ATOM 0 H GLU A 4 -10.548 -8.664 14.843 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.584 -8.921 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.229 -10.944 14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.553 -11.385 12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.164 -9.689 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.086 -11.414 13.408 1.00 0.00 H new ATOM 68 N LEU A 5 -13.729 -9.627 14.632 1.00 0.00 N ATOM 69 CA LEU A 5 -15.185 -9.785 14.887 1.00 0.00 C ATOM 70 C LEU A 5 -15.909 -8.484 14.542 1.00 0.00 C ATOM 71 O LEU A 5 -16.970 -8.489 13.953 1.00 0.00 O ATOM 72 CB LEU A 5 -15.408 -10.116 16.367 1.00 0.00 C ATOM 73 CG LEU A 5 -16.913 -10.203 16.674 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.586 -11.243 15.763 1.00 0.00 C ATOM 75 CD2 LEU A 5 -17.100 -10.600 18.142 1.00 0.00 C ATOM 0 H LEU A 5 -13.136 -9.675 15.460 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.577 -10.592 14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.925 -11.062 16.612 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.946 -9.351 16.991 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.375 -9.233 16.491 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.650 -11.293 15.992 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.453 -10.954 14.720 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.133 -12.220 15.930 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.164 -10.664 18.369 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.632 -11.568 18.319 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.637 -9.850 18.784 1.00 0.00 H new ATOM 87 N GLN A 6 -15.346 -7.374 14.926 1.00 0.00 N ATOM 88 CA GLN A 6 -15.997 -6.067 14.647 1.00 0.00 C ATOM 89 C GLN A 6 -16.041 -5.823 13.140 1.00 0.00 C ATOM 90 O GLN A 6 -16.984 -5.256 12.625 1.00 0.00 O ATOM 91 CB GLN A 6 -15.191 -4.958 15.327 1.00 0.00 C ATOM 92 CG GLN A 6 -15.910 -3.615 15.176 1.00 0.00 C ATOM 93 CD GLN A 6 -17.235 -3.652 15.938 1.00 0.00 C ATOM 94 OE1 GLN A 6 -17.311 -4.196 17.021 1.00 0.00 O ATOM 95 NE2 GLN A 6 -18.292 -3.095 15.411 1.00 0.00 N ATOM 0 H GLN A 6 -14.458 -7.316 15.424 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.016 -6.073 15.033 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.057 -5.191 16.383 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.196 -4.898 14.886 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.282 -2.810 15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.091 -3.405 14.122 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.228 -2.638 14.501 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.182 -3.117 15.909 1.00 0.00 H new ATOM 104 N LEU A 7 -15.028 -6.228 12.428 1.00 0.00 N ATOM 105 CA LEU A 7 -15.022 -5.996 10.959 1.00 0.00 C ATOM 106 C LEU A 7 -16.189 -6.739 10.310 1.00 0.00 C ATOM 107 O LEU A 7 -16.912 -6.190 9.504 1.00 0.00 O ATOM 108 CB LEU A 7 -13.703 -6.511 10.370 1.00 0.00 C ATOM 109 CG LEU A 7 -13.692 -6.328 8.842 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.918 -4.851 8.481 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.340 -6.791 8.291 1.00 0.00 C ATOM 0 H LEU A 7 -14.207 -6.708 12.798 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.123 -4.928 10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.865 -5.974 10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.573 -7.565 10.618 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.494 -6.922 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.908 -4.736 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.882 -4.524 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.125 -4.244 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.325 -6.664 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.543 -6.197 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.188 -7.842 8.535 1.00 0.00 H new ATOM 123 N LYS A 8 -16.377 -7.982 10.651 1.00 0.00 N ATOM 124 CA LYS A 8 -17.494 -8.756 10.050 1.00 0.00 C ATOM 125 C LYS A 8 -18.822 -8.148 10.495 1.00 0.00 C ATOM 126 O LYS A 8 -19.753 -8.023 9.725 1.00 0.00 O ATOM 127 CB LYS A 8 -17.404 -10.210 10.510 1.00 0.00 C ATOM 128 CG LYS A 8 -16.152 -10.857 9.908 1.00 0.00 C ATOM 129 CD LYS A 8 -16.102 -12.338 10.303 1.00 0.00 C ATOM 130 CE LYS A 8 -15.948 -12.480 11.824 1.00 0.00 C ATOM 131 NZ LYS A 8 -17.299 -12.499 12.455 1.00 0.00 N ATOM 0 H LYS A 8 -15.804 -8.495 11.321 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.430 -8.720 8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.364 -10.257 11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.294 -10.757 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.165 -10.759 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.258 -10.344 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.012 -12.840 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.269 -12.828 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.409 -13.397 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.360 -11.652 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.324 -13.225 13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.501 -11.568 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.016 -12.718 11.734 1.00 0.00 H new ATOM 145 N HIS A 9 -18.911 -7.769 11.738 1.00 0.00 N ATOM 146 CA HIS A 9 -20.167 -7.163 12.255 1.00 0.00 C ATOM 147 C HIS A 9 -20.401 -5.820 11.558 1.00 0.00 C ATOM 148 O HIS A 9 -21.502 -5.498 11.163 1.00 0.00 O ATOM 149 CB HIS A 9 -20.022 -6.948 13.762 1.00 0.00 C ATOM 150 CG HIS A 9 -21.306 -6.409 14.325 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.452 -7.183 14.428 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.637 -5.177 14.830 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.409 -6.415 14.978 1.00 0.00 C ATOM 154 NE2 HIS A 9 -22.966 -5.183 15.241 1.00 0.00 N ATOM 0 H HIS A 9 -18.160 -7.854 12.423 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.014 -7.820 12.058 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.767 -7.889 14.250 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.206 -6.253 13.963 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.968 -4.332 14.898 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.414 -6.754 15.182 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.490 -4.412 15.655 1.00 0.00 H new ATOM 162 N TYR A 10 -19.368 -5.038 11.404 1.00 0.00 N ATOM 163 CA TYR A 10 -19.517 -3.717 10.734 1.00 0.00 C ATOM 164 C TYR A 10 -19.982 -3.913 9.287 1.00 0.00 C ATOM 165 O TYR A 10 -20.909 -3.274 8.832 1.00 0.00 O ATOM 166 CB TYR A 10 -18.163 -3.004 10.738 1.00 0.00 C ATOM 167 CG TYR A 10 -18.261 -1.713 9.957 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.000 -0.640 10.467 1.00 0.00 C ATOM 169 CD2 TYR A 10 -17.608 -1.588 8.723 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.087 0.557 9.746 1.00 0.00 C ATOM 171 CE2 TYR A 10 -17.695 -0.391 8.004 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.434 0.681 8.514 1.00 0.00 C ATOM 173 OH TYR A 10 -18.520 1.861 7.803 1.00 0.00 O ATOM 0 H TYR A 10 -18.422 -5.259 11.716 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.257 -3.121 11.268 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -17.854 -2.797 11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.401 -3.648 10.299 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.504 -0.735 11.418 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.038 -2.416 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.658 1.385 10.140 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.191 -0.295 7.054 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.711 2.600 8.418 1.00 0.00 H new ATOM 183 N ILE A 11 -19.338 -4.785 8.558 1.00 0.00 N ATOM 184 CA ILE A 11 -19.733 -5.012 7.140 1.00 0.00 C ATOM 185 C ILE A 11 -21.137 -5.620 7.079 1.00 0.00 C ATOM 186 O ILE A 11 -21.955 -5.227 6.271 1.00 0.00 O ATOM 187 CB ILE A 11 -18.732 -5.978 6.493 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.344 -5.315 6.398 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.214 -6.384 5.097 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.377 -4.034 5.543 1.00 0.00 C ATOM 0 H ILE A 11 -18.554 -5.350 8.885 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.734 -4.061 6.607 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.657 -6.871 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.987 -5.074 7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.633 -6.021 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.495 -7.070 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.184 -6.876 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.307 -5.496 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.379 -3.598 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.708 -4.279 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.068 -3.317 5.988 1.00 0.00 H new ATOM 202 N THR A 12 -21.420 -6.582 7.911 1.00 0.00 N ATOM 203 CA THR A 12 -22.767 -7.214 7.879 1.00 0.00 C ATOM 204 C THR A 12 -23.832 -6.204 8.308 1.00 0.00 C ATOM 205 O THR A 12 -24.865 -6.082 7.687 1.00 0.00 O ATOM 206 CB THR A 12 -22.783 -8.411 8.828 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.240 -8.020 10.080 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.948 -9.551 8.238 1.00 0.00 C ATOM 0 H THR A 12 -20.779 -6.957 8.610 1.00 0.00 H new ATOM 0 HA THR A 12 -22.985 -7.546 6.864 1.00 0.00 H new ATOM 0 HB THR A 12 -23.808 -8.755 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.301 -8.297 10.131 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.962 -10.402 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.366 -9.848 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.920 -9.215 8.099 1.00 0.00 H new ATOM 216 N ASN A 13 -23.593 -5.484 9.367 1.00 0.00 N ATOM 217 CA ASN A 13 -24.593 -4.486 9.831 1.00 0.00 C ATOM 218 C ASN A 13 -24.727 -3.373 8.789 1.00 0.00 C ATOM 219 O ASN A 13 -25.808 -2.896 8.511 1.00 0.00 O ATOM 220 CB ASN A 13 -24.127 -3.890 11.164 1.00 0.00 C ATOM 221 CG ASN A 13 -24.431 -4.869 12.300 1.00 0.00 C ATOM 222 OD1 ASN A 13 -24.474 -4.485 13.450 1.00 0.00 O ATOM 223 ND2 ASN A 13 -24.643 -6.128 12.023 1.00 0.00 N ATOM 0 H ASN A 13 -22.746 -5.544 9.932 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.560 -4.970 9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.058 -3.682 11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.630 -2.940 11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.845 -6.788 12.774 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.607 -6.451 11.056 1.00 0.00 H new ATOM 230 N LEU A 14 -23.631 -2.947 8.225 1.00 0.00 N ATOM 231 CA LEU A 14 -23.683 -1.852 7.219 1.00 0.00 C ATOM 232 C LEU A 14 -24.501 -2.298 6.007 1.00 0.00 C ATOM 233 O LEU A 14 -25.318 -1.559 5.496 1.00 0.00 O ATOM 234 CB LEU A 14 -22.255 -1.516 6.777 1.00 0.00 C ATOM 235 CG LEU A 14 -22.265 -0.395 5.726 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.937 0.867 6.295 1.00 0.00 C ATOM 237 CD2 LEU A 14 -20.820 -0.078 5.324 1.00 0.00 C ATOM 0 H LEU A 14 -22.699 -3.312 8.419 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.153 -0.973 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.664 -1.208 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.777 -2.405 6.364 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.830 -0.723 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.936 1.652 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.964 0.636 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.387 1.208 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.816 0.717 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.261 0.245 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.355 -0.971 4.906 1.00 0.00 H new ATOM 249 N PHE A 15 -24.286 -3.499 5.542 1.00 0.00 N ATOM 250 CA PHE A 15 -25.043 -4.002 4.360 1.00 0.00 C ATOM 251 C PHE A 15 -26.203 -4.869 4.855 1.00 0.00 C ATOM 252 O PHE A 15 -26.957 -5.419 4.079 1.00 0.00 O ATOM 253 CB PHE A 15 -24.095 -4.820 3.475 1.00 0.00 C ATOM 254 CG PHE A 15 -23.168 -3.883 2.733 1.00 0.00 C ATOM 255 CD1 PHE A 15 -21.950 -3.491 3.307 1.00 0.00 C ATOM 256 CD2 PHE A 15 -23.532 -3.398 1.470 1.00 0.00 C ATOM 257 CE1 PHE A 15 -21.098 -2.618 2.616 1.00 0.00 C ATOM 258 CE2 PHE A 15 -22.679 -2.525 0.781 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.463 -2.136 1.354 1.00 0.00 C ATOM 0 H PHE A 15 -23.613 -4.158 5.934 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.443 -3.174 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.517 -5.513 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.667 -5.420 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -21.668 -3.862 4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -24.470 -3.697 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -20.160 -2.317 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -22.960 -2.152 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.806 -1.464 0.822 1.00 0.00 H new ATOM 269 N ASN A 16 -26.349 -4.980 6.151 1.00 0.00 N ATOM 270 CA ASN A 16 -27.457 -5.794 6.727 1.00 0.00 C ATOM 271 C ASN A 16 -27.375 -7.220 6.196 1.00 0.00 C ATOM 272 O ASN A 16 -28.374 -7.840 5.900 1.00 0.00 O ATOM 273 CB ASN A 16 -28.802 -5.168 6.350 1.00 0.00 C ATOM 274 CG ASN A 16 -28.803 -3.704 6.788 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.533 -3.405 7.932 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.088 -2.771 5.921 1.00 0.00 N ATOM 0 H ASN A 16 -25.741 -4.536 6.839 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.367 -5.815 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.964 -5.240 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.618 -5.707 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.083 -1.792 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.315 -3.021 4.959 1.00 0.00 H new ATOM 283 N LEU A 17 -26.184 -7.752 6.061 1.00 0.00 N ATOM 284 CA LEU A 17 -26.047 -9.142 5.535 1.00 0.00 C ATOM 285 C LEU A 17 -26.074 -10.146 6.701 1.00 0.00 C ATOM 286 O LEU A 17 -25.688 -9.816 7.806 1.00 0.00 O ATOM 287 CB LEU A 17 -24.719 -9.284 4.786 1.00 0.00 C ATOM 288 CG LEU A 17 -24.623 -8.220 3.683 1.00 0.00 C ATOM 289 CD1 LEU A 17 -23.162 -8.058 3.255 1.00 0.00 C ATOM 290 CD2 LEU A 17 -25.459 -8.639 2.467 1.00 0.00 C ATOM 0 H LEU A 17 -25.307 -7.285 6.291 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.875 -9.345 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.886 -9.176 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.642 -10.280 4.350 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.004 -7.275 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.094 -7.303 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.564 -7.747 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.786 -9.008 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.382 -7.876 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.088 -9.588 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.502 -8.751 2.764 1.00 0.00 H new ATOM 302 N PRO A 18 -26.508 -11.372 6.466 1.00 0.00 N ATOM 303 CA PRO A 18 -26.553 -12.421 7.538 1.00 0.00 C ATOM 304 C PRO A 18 -25.181 -12.674 8.187 1.00 0.00 C ATOM 305 O PRO A 18 -24.153 -12.626 7.543 1.00 0.00 O ATOM 306 CB PRO A 18 -27.040 -13.687 6.805 1.00 0.00 C ATOM 307 CG PRO A 18 -27.725 -13.195 5.574 1.00 0.00 C ATOM 308 CD PRO A 18 -27.020 -11.899 5.179 1.00 0.00 C ATOM 0 HA PRO A 18 -27.201 -12.115 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.205 -14.341 6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.722 -14.265 7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -27.661 -13.932 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -28.784 -13.019 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -26.212 -12.082 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.707 -11.198 4.704 1.00 0.00 H new ATOM 316 N ARG A 19 -25.175 -12.953 9.465 1.00 0.00 N ATOM 317 CA ARG A 19 -23.898 -13.224 10.189 1.00 0.00 C ATOM 318 C ARG A 19 -23.561 -14.715 10.097 1.00 0.00 C ATOM 319 O ARG A 19 -22.534 -15.159 10.567 1.00 0.00 O ATOM 320 CB ARG A 19 -24.069 -12.823 11.660 1.00 0.00 C ATOM 321 CG ARG A 19 -24.144 -11.287 11.789 1.00 0.00 C ATOM 322 CD ARG A 19 -22.734 -10.696 11.919 1.00 0.00 C ATOM 323 NE ARG A 19 -22.190 -11.026 13.265 1.00 0.00 N ATOM 324 CZ ARG A 19 -20.983 -10.658 13.596 1.00 0.00 C ATOM 325 NH1 ARG A 19 -20.243 -10.003 12.744 1.00 0.00 N ATOM 326 NH2 ARG A 19 -20.518 -10.945 14.780 1.00 0.00 N ATOM 0 H ARG A 19 -26.013 -13.005 10.045 1.00 0.00 H new ATOM 0 HA ARG A 19 -23.088 -12.649 9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.975 -13.274 12.064 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.234 -13.204 12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.644 -10.866 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.741 -11.017 12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -22.084 -11.099 11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.765 -9.615 11.780 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.764 -11.542 13.932 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.608 -9.778 11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -19.299 -9.716 13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -21.098 -11.456 15.445 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.575 -10.658 15.041 1.00 0.00 H new ATOM 340 N ASP A 20 -24.424 -15.494 9.502 1.00 0.00 N ATOM 341 CA ASP A 20 -24.157 -16.956 9.385 1.00 0.00 C ATOM 342 C ASP A 20 -23.311 -17.219 8.134 1.00 0.00 C ATOM 343 O ASP A 20 -23.047 -18.348 7.778 1.00 0.00 O ATOM 344 CB ASP A 20 -25.492 -17.703 9.280 1.00 0.00 C ATOM 345 CG ASP A 20 -26.162 -17.405 7.933 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.642 -16.579 7.202 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.186 -18.009 7.658 1.00 0.00 O ATOM 0 H ASP A 20 -25.303 -15.180 9.091 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.615 -17.307 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.326 -18.775 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.150 -17.403 10.096 1.00 0.00 H new ATOM 352 N GLU A 21 -22.894 -16.179 7.460 1.00 0.00 N ATOM 353 CA GLU A 21 -22.078 -16.364 6.227 1.00 0.00 C ATOM 354 C GLU A 21 -20.687 -16.891 6.584 1.00 0.00 C ATOM 355 O GLU A 21 -20.110 -16.524 7.587 1.00 0.00 O ATOM 356 CB GLU A 21 -21.942 -15.020 5.507 1.00 0.00 C ATOM 357 CG GLU A 21 -23.320 -14.554 5.032 1.00 0.00 C ATOM 358 CD GLU A 21 -23.862 -15.528 3.982 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.066 -16.257 3.413 1.00 0.00 O ATOM 360 OE2 GLU A 21 -25.062 -15.529 3.767 1.00 0.00 O ATOM 0 H GLU A 21 -23.084 -15.209 7.712 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.573 -17.087 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.507 -14.279 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.266 -15.117 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.006 -14.497 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -23.250 -13.552 4.610 1.00 0.00 H new ATOM 367 N LYS A 22 -20.145 -17.752 5.761 1.00 0.00 N ATOM 368 CA LYS A 22 -18.789 -18.311 6.037 1.00 0.00 C ATOM 369 C LYS A 22 -17.723 -17.389 5.438 1.00 0.00 C ATOM 370 O LYS A 22 -17.826 -16.963 4.305 1.00 0.00 O ATOM 371 CB LYS A 22 -18.682 -19.701 5.405 1.00 0.00 C ATOM 372 CG LYS A 22 -17.315 -20.310 5.728 1.00 0.00 C ATOM 373 CD LYS A 22 -17.243 -21.732 5.166 1.00 0.00 C ATOM 374 CE LYS A 22 -15.883 -22.345 5.502 1.00 0.00 C ATOM 375 NZ LYS A 22 -15.816 -23.736 4.971 1.00 0.00 N ATOM 0 H LYS A 22 -20.586 -18.093 4.907 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.634 -18.386 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -19.476 -20.345 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.814 -19.631 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.522 -19.698 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.158 -20.326 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.043 -22.342 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.390 -21.715 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.084 -21.742 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.732 -22.349 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.890 -24.151 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.569 -24.309 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.942 -23.720 3.939 1.00 0.00 H new ATOM 389 N TRP A 23 -16.697 -17.082 6.193 1.00 0.00 N ATOM 390 CA TRP A 23 -15.609 -16.191 5.685 1.00 0.00 C ATOM 391 C TRP A 23 -14.361 -17.032 5.430 1.00 0.00 C ATOM 392 O TRP A 23 -14.020 -17.893 6.217 1.00 0.00 O ATOM 393 CB TRP A 23 -15.299 -15.133 6.749 1.00 0.00 C ATOM 394 CG TRP A 23 -16.391 -14.111 6.766 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.708 -14.384 6.917 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.287 -12.664 6.637 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.418 -13.199 6.881 1.00 0.00 N ATOM 398 CE2 TRP A 23 -17.587 -12.111 6.710 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.203 -11.787 6.462 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -17.804 -10.736 6.614 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -15.416 -10.402 6.364 1.00 0.00 C ATOM 402 CH2 TRP A 23 -16.714 -9.877 6.439 1.00 0.00 C ATOM 0 H TRP A 23 -16.566 -17.414 7.149 1.00 0.00 H new ATOM 0 HA TRP A 23 -15.921 -15.705 4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.210 -15.602 7.729 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.343 -14.656 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.135 -15.368 7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.432 -13.136 6.970 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.199 -12.181 6.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -18.806 -10.338 6.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -14.575 -9.738 6.230 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -16.872 -8.811 6.362 1.00 0.00 H new ATOM 413 N GLU A 24 -13.677 -16.797 4.337 1.00 0.00 N ATOM 414 CA GLU A 24 -12.449 -17.591 4.024 1.00 0.00 C ATOM 415 C GLU A 24 -11.216 -16.711 4.203 1.00 0.00 C ATOM 416 O GLU A 24 -11.050 -15.705 3.540 1.00 0.00 O ATOM 417 CB GLU A 24 -12.533 -18.085 2.582 1.00 0.00 C ATOM 418 CG GLU A 24 -13.628 -19.147 2.487 1.00 0.00 C ATOM 419 CD GLU A 24 -13.779 -19.605 1.037 1.00 0.00 C ATOM 420 OE1 GLU A 24 -13.037 -19.117 0.202 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.635 -20.438 0.786 1.00 0.00 O ATOM 0 H GLU A 24 -13.918 -16.087 3.646 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.375 -18.445 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.754 -17.255 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.575 -18.502 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.379 -19.997 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.573 -18.742 2.851 1.00 0.00 H new ATOM 428 N CYS A 25 -10.353 -17.083 5.106 1.00 0.00 N ATOM 429 CA CYS A 25 -9.129 -16.280 5.352 1.00 0.00 C ATOM 430 C CYS A 25 -8.095 -16.581 4.274 1.00 0.00 C ATOM 431 O CYS A 25 -7.690 -17.714 4.098 1.00 0.00 O ATOM 432 CB CYS A 25 -8.558 -16.655 6.719 1.00 0.00 C ATOM 433 SG CYS A 25 -7.135 -15.605 7.095 1.00 0.00 S ATOM 0 H CYS A 25 -10.446 -17.916 5.687 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.375 -15.218 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.322 -16.537 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.260 -17.703 6.724 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.753 -14.988 6.016 1.00 0.00 H new ATOM 439 N GLU A 26 -7.657 -15.577 3.556 1.00 0.00 N ATOM 440 CA GLU A 26 -6.637 -15.791 2.485 1.00 0.00 C ATOM 441 C GLU A 26 -5.462 -14.849 2.741 1.00 0.00 C ATOM 442 O GLU A 26 -5.509 -13.678 2.421 1.00 0.00 O ATOM 443 CB GLU A 26 -7.270 -15.486 1.126 1.00 0.00 C ATOM 444 CG GLU A 26 -6.306 -15.884 0.009 1.00 0.00 C ATOM 445 CD GLU A 26 -6.192 -17.409 -0.049 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.950 -18.067 0.643 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.348 -17.890 -0.785 1.00 0.00 O ATOM 0 H GLU A 26 -7.965 -14.611 3.667 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.285 -16.823 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.209 -16.030 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.507 -14.425 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.661 -15.499 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.325 -15.442 0.186 1.00 0.00 H new ATOM 454 N SER A 27 -4.412 -15.352 3.331 1.00 0.00 N ATOM 455 CA SER A 27 -3.237 -14.494 3.627 1.00 0.00 C ATOM 456 C SER A 27 -2.360 -14.362 2.383 1.00 0.00 C ATOM 457 O SER A 27 -2.061 -15.330 1.713 1.00 0.00 O ATOM 458 CB SER A 27 -2.431 -15.130 4.764 1.00 0.00 C ATOM 459 OG SER A 27 -3.065 -14.837 6.002 1.00 0.00 O ATOM 0 H SER A 27 -4.320 -16.326 3.621 1.00 0.00 H new ATOM 0 HA SER A 27 -3.575 -13.501 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.365 -16.209 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.411 -14.745 4.763 1.00 0.00 H new ATOM 0 HG SER A 27 -3.905 -14.360 5.835 1.00 0.00 H new ATOM 465 N ILE A 28 -1.929 -13.168 2.081 1.00 0.00 N ATOM 466 CA ILE A 28 -1.050 -12.957 0.895 1.00 0.00 C ATOM 467 C ILE A 28 -0.104 -11.795 1.177 1.00 0.00 C ATOM 468 O ILE A 28 -0.447 -10.866 1.881 1.00 0.00 O ATOM 469 CB ILE A 28 -1.903 -12.657 -0.341 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.853 -11.490 -0.049 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.717 -13.896 -0.712 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.539 -11.060 -1.347 1.00 0.00 C ATOM 0 H ILE A 28 -2.149 -12.323 2.609 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.469 -13.859 0.704 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.249 -12.387 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.598 -11.788 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.300 -10.654 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.324 -13.682 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.042 -14.723 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.367 -14.167 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.216 -10.230 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.786 -10.745 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.105 -11.898 -1.754 1.00 0.00 H new ATOM 484 N GLU A 29 1.087 -11.839 0.637 1.00 0.00 N ATOM 485 CA GLU A 29 2.070 -10.740 0.875 1.00 0.00 C ATOM 486 C GLU A 29 2.196 -9.890 -0.386 1.00 0.00 C ATOM 487 O GLU A 29 2.561 -10.376 -1.438 1.00 0.00 O ATOM 488 CB GLU A 29 3.428 -11.352 1.219 1.00 0.00 C ATOM 489 CG GLU A 29 4.410 -10.232 1.549 1.00 0.00 C ATOM 490 CD GLU A 29 5.736 -10.833 2.015 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.917 -12.026 1.839 1.00 0.00 O ATOM 492 OE2 GLU A 29 6.546 -10.090 2.544 1.00 0.00 O ATOM 0 H GLU A 29 1.422 -12.593 0.038 1.00 0.00 H new ATOM 0 HA GLU A 29 1.731 -10.112 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.331 -12.030 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.798 -11.942 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.571 -9.606 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.997 -9.590 2.327 1.00 0.00 H new ATOM 499 N GLU A 30 1.895 -8.618 -0.292 1.00 0.00 N ATOM 500 CA GLU A 30 1.994 -7.729 -1.490 1.00 0.00 C ATOM 501 C GLU A 30 2.484 -6.345 -1.066 1.00 0.00 C ATOM 502 O GLU A 30 2.447 -5.986 0.094 1.00 0.00 O ATOM 503 CB GLU A 30 0.622 -7.597 -2.155 1.00 0.00 C ATOM 504 CG GLU A 30 0.231 -8.924 -2.809 1.00 0.00 C ATOM 505 CD GLU A 30 -1.158 -8.792 -3.434 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.728 -7.718 -3.340 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.627 -9.766 -3.998 1.00 0.00 O ATOM 0 H GLU A 30 1.585 -8.157 0.563 1.00 0.00 H new ATOM 0 HA GLU A 30 2.699 -8.165 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.125 -7.313 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.646 -6.805 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.961 -9.195 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.234 -9.723 -2.067 1.00 0.00 H new ATOM 514 N VAL A 31 2.950 -5.570 -2.005 1.00 0.00 N ATOM 515 CA VAL A 31 3.454 -4.207 -1.681 1.00 0.00 C ATOM 516 C VAL A 31 2.288 -3.302 -1.265 1.00 0.00 C ATOM 517 O VAL A 31 1.213 -3.353 -1.829 1.00 0.00 O ATOM 518 CB VAL A 31 4.149 -3.629 -2.912 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.534 -2.172 -2.651 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.410 -4.446 -3.212 1.00 0.00 C ATOM 0 H VAL A 31 3.004 -5.825 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 31 4.162 -4.265 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 31 3.472 -3.674 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.030 -1.763 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.637 -1.591 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.211 -2.122 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.909 -4.036 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.085 -4.401 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.135 -5.483 -3.402 1.00 0.00 H new ATOM 530 N ALA A 32 2.499 -2.481 -0.273 1.00 0.00 N ATOM 531 CA ALA A 32 1.420 -1.569 0.206 1.00 0.00 C ATOM 532 C ALA A 32 0.981 -0.623 -0.918 1.00 0.00 C ATOM 533 O ALA A 32 -0.188 -0.340 -1.080 1.00 0.00 O ATOM 534 CB ALA A 32 1.965 -0.740 1.367 1.00 0.00 C ATOM 0 H ALA A 32 3.382 -2.402 0.232 1.00 0.00 H new ATOM 0 HA ALA A 32 0.562 -2.162 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.188 -0.067 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.276 -1.404 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.821 -0.157 1.027 1.00 0.00 H new ATOM 540 N ASP A 33 1.907 -0.117 -1.683 1.00 0.00 N ATOM 541 CA ASP A 33 1.542 0.828 -2.778 1.00 0.00 C ATOM 542 C ASP A 33 0.814 0.078 -3.899 1.00 0.00 C ATOM 543 O ASP A 33 0.261 0.676 -4.799 1.00 0.00 O ATOM 544 CB ASP A 33 2.825 1.454 -3.331 1.00 0.00 C ATOM 545 CG ASP A 33 2.486 2.685 -4.176 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.393 3.206 -4.023 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.330 3.089 -4.958 1.00 0.00 O ATOM 0 H ASP A 33 2.904 -0.317 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 33 0.882 1.603 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.484 1.737 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.364 0.725 -3.936 1.00 0.00 H new ATOM 552 N ASP A 34 0.811 -1.228 -3.849 1.00 0.00 N ATOM 553 CA ASP A 34 0.123 -2.028 -4.907 1.00 0.00 C ATOM 554 C ASP A 34 -1.278 -2.414 -4.438 1.00 0.00 C ATOM 555 O ASP A 34 -1.987 -3.140 -5.106 1.00 0.00 O ATOM 556 CB ASP A 34 0.934 -3.290 -5.192 1.00 0.00 C ATOM 557 CG ASP A 34 2.226 -2.907 -5.916 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.348 -1.754 -6.296 1.00 0.00 O ATOM 559 OD2 ASP A 34 3.069 -3.772 -6.078 1.00 0.00 O ATOM 0 H ASP A 34 1.258 -1.779 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 34 0.042 -1.432 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.165 -3.806 -4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.352 -3.980 -5.803 1.00 0.00 H new ATOM 564 N ILE A 35 -1.684 -1.935 -3.292 1.00 0.00 N ATOM 565 CA ILE A 35 -3.044 -2.267 -2.770 1.00 0.00 C ATOM 566 C ILE A 35 -3.657 -1.030 -2.126 1.00 0.00 C ATOM 567 O ILE A 35 -4.858 -0.863 -2.121 1.00 0.00 O ATOM 568 CB ILE A 35 -2.940 -3.388 -1.728 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.984 -2.973 -0.604 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.409 -4.656 -2.393 1.00 0.00 C ATOM 571 CD1 ILE A 35 -1.974 -4.046 0.488 1.00 0.00 C ATOM 0 H ILE A 35 -1.130 -1.325 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.675 -2.599 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.929 -3.575 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.978 -2.835 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.295 -2.016 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.335 -5.452 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.089 -4.962 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.423 -4.460 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.293 -3.747 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.979 -4.162 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.642 -4.994 0.064 1.00 0.00 H new ATOM 583 N LEU A 36 -2.850 -0.165 -1.562 1.00 0.00 N ATOM 584 CA LEU A 36 -3.409 1.047 -0.895 1.00 0.00 C ATOM 585 C LEU A 36 -3.418 2.240 -1.873 1.00 0.00 C ATOM 586 O LEU A 36 -2.656 2.273 -2.820 1.00 0.00 O ATOM 587 CB LEU A 36 -2.548 1.393 0.335 1.00 0.00 C ATOM 588 CG LEU A 36 -2.998 0.552 1.551 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.828 0.392 2.527 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.163 1.251 2.270 1.00 0.00 C ATOM 0 H LEU A 36 -1.834 -0.247 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.433 0.842 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.497 1.201 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.637 2.455 0.564 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.323 -0.428 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.147 -0.201 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.002 -0.111 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.501 1.375 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.474 0.652 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.841 2.234 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.001 1.363 1.582 1.00 0.00 H new ATOM 602 N PRO A 37 -4.263 3.226 -1.633 1.00 0.00 N ATOM 603 CA PRO A 37 -4.348 4.445 -2.500 1.00 0.00 C ATOM 604 C PRO A 37 -2.996 5.156 -2.673 1.00 0.00 C ATOM 605 O PRO A 37 -2.191 5.224 -1.766 1.00 0.00 O ATOM 606 CB PRO A 37 -5.333 5.366 -1.752 1.00 0.00 C ATOM 607 CG PRO A 37 -6.153 4.459 -0.895 1.00 0.00 C ATOM 608 CD PRO A 37 -5.251 3.278 -0.531 1.00 0.00 C ATOM 0 HA PRO A 37 -4.664 4.184 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.801 6.102 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.960 5.920 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.496 4.976 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.042 4.120 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.765 3.429 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.818 2.350 -0.460 1.00 0.00 H new ATOM 616 N ASP A 38 -2.757 5.694 -3.841 1.00 0.00 N ATOM 617 CA ASP A 38 -1.478 6.414 -4.099 1.00 0.00 C ATOM 618 C ASP A 38 -1.436 7.705 -3.271 1.00 0.00 C ATOM 619 O ASP A 38 -0.386 8.142 -2.844 1.00 0.00 O ATOM 620 CB ASP A 38 -1.377 6.751 -5.590 1.00 0.00 C ATOM 621 CG ASP A 38 -2.584 7.591 -6.014 1.00 0.00 C ATOM 622 OD1 ASP A 38 -3.471 7.775 -5.199 1.00 0.00 O ATOM 623 OD2 ASP A 38 -2.600 8.038 -7.149 1.00 0.00 O ATOM 0 H ASP A 38 -3.400 5.664 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.639 5.780 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.455 7.297 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.336 5.834 -6.178 1.00 0.00 H new ATOM 628 N GLN A 39 -2.567 8.321 -3.050 1.00 0.00 N ATOM 629 CA GLN A 39 -2.589 9.585 -2.259 1.00 0.00 C ATOM 630 C GLN A 39 -2.149 9.300 -0.824 1.00 0.00 C ATOM 631 O GLN A 39 -1.445 10.080 -0.216 1.00 0.00 O ATOM 632 CB GLN A 39 -4.010 10.153 -2.250 1.00 0.00 C ATOM 633 CG GLN A 39 -4.010 11.514 -1.549 1.00 0.00 C ATOM 634 CD GLN A 39 -5.429 12.084 -1.533 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.380 11.373 -1.282 1.00 0.00 O ATOM 636 NE2 GLN A 39 -5.610 13.351 -1.790 1.00 0.00 N ATOM 0 H GLN A 39 -3.477 8.003 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.908 10.307 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.378 10.257 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.684 9.467 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.638 11.409 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.338 12.200 -2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.810 13.948 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.551 13.744 -1.780 1.00 0.00 H new ATOM 645 N TYR A 40 -2.566 8.194 -0.276 1.00 0.00 N ATOM 646 CA TYR A 40 -2.182 7.860 1.122 1.00 0.00 C ATOM 647 C TYR A 40 -0.805 7.191 1.125 1.00 0.00 C ATOM 648 O TYR A 40 -0.231 6.952 2.167 1.00 0.00 O ATOM 649 CB TYR A 40 -3.237 6.908 1.704 1.00 0.00 C ATOM 650 CG TYR A 40 -2.708 6.219 2.949 1.00 0.00 C ATOM 651 CD1 TYR A 40 -2.391 6.972 4.086 1.00 0.00 C ATOM 652 CD2 TYR A 40 -2.535 4.827 2.961 1.00 0.00 C ATOM 653 CE1 TYR A 40 -1.901 6.335 5.233 1.00 0.00 C ATOM 654 CE2 TYR A 40 -2.046 4.192 4.108 1.00 0.00 C ATOM 655 CZ TYR A 40 -1.729 4.945 5.244 1.00 0.00 C ATOM 656 OH TYR A 40 -1.248 4.319 6.374 1.00 0.00 O ATOM 0 H TYR A 40 -3.159 7.504 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.132 8.764 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.142 7.465 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.512 6.162 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.524 8.044 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.779 4.245 2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.656 6.916 6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.913 3.120 4.117 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.412 3.355 6.309 1.00 0.00 H new ATOM 666 N VAL A 41 -0.272 6.897 -0.037 1.00 0.00 N ATOM 667 CA VAL A 41 1.074 6.249 -0.120 1.00 0.00 C ATOM 668 C VAL A 41 2.011 7.127 -0.953 1.00 0.00 C ATOM 669 O VAL A 41 1.951 7.134 -2.166 1.00 0.00 O ATOM 670 CB VAL A 41 0.923 4.874 -0.777 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.305 4.270 -1.034 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.132 3.957 0.162 1.00 0.00 C ATOM 0 H VAL A 41 -0.716 7.080 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 41 1.494 6.131 0.879 1.00 0.00 H new ATOM 0 HB VAL A 41 0.396 4.977 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.193 3.292 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.871 4.926 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.836 4.162 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.019 2.975 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.666 3.856 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.853 4.387 0.346 1.00 0.00 H new ATOM 682 N ARG A 42 2.877 7.864 -0.302 1.00 0.00 N ATOM 683 CA ARG A 42 3.832 8.754 -1.034 1.00 0.00 C ATOM 684 C ARG A 42 5.244 8.547 -0.478 1.00 0.00 C ATOM 685 O ARG A 42 5.914 7.587 -0.802 1.00 0.00 O ATOM 686 CB ARG A 42 3.413 10.218 -0.827 1.00 0.00 C ATOM 687 CG ARG A 42 2.004 10.465 -1.386 1.00 0.00 C ATOM 688 CD ARG A 42 2.042 10.542 -2.915 1.00 0.00 C ATOM 689 NE ARG A 42 0.705 10.976 -3.419 1.00 0.00 N ATOM 690 CZ ARG A 42 0.282 10.593 -4.597 1.00 0.00 C ATOM 691 NH1 ARG A 42 1.025 9.821 -5.344 1.00 0.00 N ATOM 692 NH2 ARG A 42 -0.884 10.988 -5.027 1.00 0.00 N ATOM 0 H ARG A 42 2.964 7.887 0.714 1.00 0.00 H new ATOM 0 HA ARG A 42 3.820 8.514 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.436 10.461 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.126 10.879 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.336 9.663 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.602 11.393 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.811 11.245 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.304 9.570 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 42 0.117 11.576 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.939 9.514 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.692 9.525 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.464 11.594 -4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.217 10.691 -5.945 1.00 0.00 H new ATOM 706 N LEU A 43 5.704 9.445 0.353 1.00 0.00 N ATOM 707 CA LEU A 43 7.072 9.313 0.931 1.00 0.00 C ATOM 708 C LEU A 43 6.961 8.692 2.325 1.00 0.00 C ATOM 709 O LEU A 43 7.944 8.486 3.005 1.00 0.00 O ATOM 710 CB LEU A 43 7.702 10.705 1.030 1.00 0.00 C ATOM 711 CG LEU A 43 7.707 11.365 -0.358 1.00 0.00 C ATOM 712 CD1 LEU A 43 8.303 12.773 -0.251 1.00 0.00 C ATOM 713 CD2 LEU A 43 8.534 10.524 -1.345 1.00 0.00 C ATOM 0 H LEU A 43 5.186 10.269 0.658 1.00 0.00 H new ATOM 0 HA LEU A 43 7.693 8.678 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.142 11.320 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.720 10.629 1.412 1.00 0.00 H new ATOM 0 HG LEU A 43 6.683 11.429 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.307 13.242 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.702 13.371 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.324 12.708 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.529 11.003 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.560 10.445 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.100 9.527 -1.426 1.00 0.00 H new ATOM 725 N GLY A 44 5.764 8.395 2.754 1.00 0.00 N ATOM 726 CA GLY A 44 5.581 7.792 4.102 1.00 0.00 C ATOM 727 C GLY A 44 6.397 6.499 4.204 1.00 0.00 C ATOM 728 O GLY A 44 6.872 5.976 3.216 1.00 0.00 O ATOM 0 H GLY A 44 4.904 8.545 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.898 8.495 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.526 7.582 4.277 1.00 0.00 H new ATOM 732 N PRO A 45 6.551 5.985 5.398 1.00 0.00 N ATOM 733 CA PRO A 45 7.314 4.726 5.637 1.00 0.00 C ATOM 734 C PRO A 45 6.552 3.510 5.102 1.00 0.00 C ATOM 735 O PRO A 45 7.092 2.432 4.963 1.00 0.00 O ATOM 736 CB PRO A 45 7.466 4.666 7.168 1.00 0.00 C ATOM 737 CG PRO A 45 6.333 5.487 7.708 1.00 0.00 C ATOM 738 CD PRO A 45 6.015 6.550 6.647 1.00 0.00 C ATOM 0 HA PRO A 45 8.276 4.714 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.415 3.639 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.429 5.067 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.461 4.863 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.609 5.954 8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.943 6.732 6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.484 7.504 6.886 1.00 0.00 H new ATOM 746 N LEU A 46 5.297 3.688 4.796 1.00 0.00 N ATOM 747 CA LEU A 46 4.490 2.561 4.263 1.00 0.00 C ATOM 748 C LEU A 46 4.731 2.454 2.755 1.00 0.00 C ATOM 749 O LEU A 46 4.284 1.530 2.108 1.00 0.00 O ATOM 750 CB LEU A 46 3.007 2.845 4.529 1.00 0.00 C ATOM 751 CG LEU A 46 2.772 3.028 6.036 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.304 3.391 6.279 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.116 1.729 6.788 1.00 0.00 C ATOM 0 H LEU A 46 4.795 4.571 4.894 1.00 0.00 H new ATOM 0 HA LEU A 46 4.775 1.627 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.698 3.742 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.397 2.023 4.154 1.00 0.00 H new ATOM 0 HG LEU A 46 3.414 3.828 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.134 3.522 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.067 4.319 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.665 2.591 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.946 1.870 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.484 0.919 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.163 1.476 6.618 1.00 0.00 H new ATOM 765 N SER A 47 5.432 3.402 2.192 1.00 0.00 N ATOM 766 CA SER A 47 5.699 3.366 0.728 1.00 0.00 C ATOM 767 C SER A 47 6.767 2.311 0.406 1.00 0.00 C ATOM 768 O SER A 47 7.747 2.168 1.108 1.00 0.00 O ATOM 769 CB SER A 47 6.173 4.747 0.268 1.00 0.00 C ATOM 770 OG SER A 47 5.048 5.612 0.166 1.00 0.00 O ATOM 0 H SER A 47 5.831 4.200 2.685 1.00 0.00 H new ATOM 0 HA SER A 47 4.782 3.100 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.896 5.152 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.678 4.670 -0.695 1.00 0.00 H new ATOM 0 HG SER A 47 5.141 6.178 -0.629 1.00 0.00 H new ATOM 776 N ASN A 48 6.572 1.575 -0.656 1.00 0.00 N ATOM 777 CA ASN A 48 7.558 0.525 -1.047 1.00 0.00 C ATOM 778 C ASN A 48 7.810 -0.415 0.131 1.00 0.00 C ATOM 779 O ASN A 48 8.888 -0.953 0.276 1.00 0.00 O ATOM 780 CB ASN A 48 8.879 1.173 -1.471 1.00 0.00 C ATOM 781 CG ASN A 48 8.703 1.852 -2.830 1.00 0.00 C ATOM 782 OD1 ASN A 48 7.762 1.569 -3.545 1.00 0.00 O ATOM 783 ND2 ASN A 48 9.578 2.737 -3.226 1.00 0.00 N ATOM 0 H ASN A 48 5.765 1.657 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 48 7.151 -0.042 -1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.193 1.904 -0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.664 0.419 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.471 3.189 -4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.369 2.976 -2.627 1.00 0.00 H new ATOM 790 N LYS A 49 6.821 -0.623 0.969 1.00 0.00 N ATOM 791 CA LYS A 49 6.993 -1.537 2.142 1.00 0.00 C ATOM 792 C LYS A 49 6.162 -2.802 1.925 1.00 0.00 C ATOM 793 O LYS A 49 5.013 -2.744 1.537 1.00 0.00 O ATOM 794 CB LYS A 49 6.527 -0.829 3.416 1.00 0.00 C ATOM 795 CG LYS A 49 6.790 -1.733 4.620 1.00 0.00 C ATOM 796 CD LYS A 49 6.399 -1.004 5.905 1.00 0.00 C ATOM 797 CE LYS A 49 6.681 -1.908 7.106 1.00 0.00 C ATOM 798 NZ LYS A 49 6.322 -1.192 8.361 1.00 0.00 N ATOM 0 H LYS A 49 5.898 -0.196 0.889 1.00 0.00 H new ATOM 0 HA LYS A 49 8.045 -1.806 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.055 0.117 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.465 -0.594 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.218 -2.656 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.843 -2.012 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.962 -0.075 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.343 -0.736 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.106 -2.830 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.734 -2.189 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.498 -1.812 9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.901 -0.333 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.316 -0.930 8.336 1.00 0.00 H new ATOM 812 N ILE A 50 6.736 -3.948 2.169 1.00 0.00 N ATOM 813 CA ILE A 50 5.981 -5.217 1.972 1.00 0.00 C ATOM 814 C ILE A 50 5.128 -5.490 3.210 1.00 0.00 C ATOM 815 O ILE A 50 5.634 -5.623 4.306 1.00 0.00 O ATOM 816 CB ILE A 50 6.987 -6.351 1.766 1.00 0.00 C ATOM 817 CG1 ILE A 50 8.044 -5.915 0.743 1.00 0.00 C ATOM 818 CG2 ILE A 50 6.268 -7.599 1.260 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.363 -5.370 -0.517 1.00 0.00 C ATOM 0 H ILE A 50 7.696 -4.060 2.496 1.00 0.00 H new ATOM 0 HA ILE A 50 5.328 -5.144 1.102 1.00 0.00 H new ATOM 0 HB ILE A 50 7.470 -6.580 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.688 -5.151 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.682 -6.760 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.991 -8.402 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.521 -7.910 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.778 -7.377 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.122 -5.063 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.738 -6.147 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.744 -4.512 -0.254 1.00 0.00 H new ATOM 831 N LEU A 51 3.829 -5.560 3.037 1.00 0.00 N ATOM 832 CA LEU A 51 2.911 -5.808 4.193 1.00 0.00 C ATOM 833 C LEU A 51 2.070 -7.054 3.938 1.00 0.00 C ATOM 834 O LEU A 51 1.720 -7.370 2.813 1.00 0.00 O ATOM 835 CB LEU A 51 1.989 -4.597 4.368 1.00 0.00 C ATOM 836 CG LEU A 51 2.827 -3.337 4.626 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.894 -2.128 4.752 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.643 -3.497 5.922 1.00 0.00 C ATOM 0 H LEU A 51 3.362 -5.455 2.136 1.00 0.00 H new ATOM 0 HA LEU A 51 3.502 -5.960 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.378 -4.462 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.305 -4.766 5.200 1.00 0.00 H new ATOM 0 HG LEU A 51 3.515 -3.188 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.484 -1.230 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.328 -2.008 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.205 -2.285 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.233 -2.597 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.966 -3.653 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.309 -4.355 5.829 1.00 0.00 H new ATOM 850 N GLN A 52 1.742 -7.764 4.981 1.00 0.00 N ATOM 851 CA GLN A 52 0.920 -8.989 4.823 1.00 0.00 C ATOM 852 C GLN A 52 -0.544 -8.583 4.683 1.00 0.00 C ATOM 853 O GLN A 52 -1.155 -8.103 5.618 1.00 0.00 O ATOM 854 CB GLN A 52 1.103 -9.868 6.060 1.00 0.00 C ATOM 855 CG GLN A 52 2.569 -10.299 6.163 1.00 0.00 C ATOM 856 CD GLN A 52 2.927 -11.188 4.970 1.00 0.00 C ATOM 857 OE1 GLN A 52 4.037 -10.969 4.319 1.00 0.00 O flip ATOM 858 NE2 GLN A 52 2.190 -12.089 4.627 1.00 0.00 N flip ATOM 0 H GLN A 52 2.011 -7.545 5.940 1.00 0.00 H new ATOM 0 HA GLN A 52 1.227 -9.545 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.809 -9.321 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.458 -10.744 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.216 -9.422 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.735 -10.839 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.323 -12.260 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.438 -12.675 3.830 1.00 0.00 H new ATOM 867 N THR A 53 -1.111 -8.763 3.520 1.00 0.00 N ATOM 868 CA THR A 53 -2.537 -8.378 3.308 1.00 0.00 C ATOM 869 C THR A 53 -3.417 -9.619 3.405 1.00 0.00 C ATOM 870 O THR A 53 -3.249 -10.568 2.665 1.00 0.00 O ATOM 871 CB THR A 53 -2.679 -7.762 1.915 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.934 -6.555 1.860 1.00 0.00 O ATOM 873 CG2 THR A 53 -4.149 -7.471 1.624 1.00 0.00 C ATOM 0 H THR A 53 -0.646 -9.162 2.704 1.00 0.00 H new ATOM 0 HA THR A 53 -2.844 -7.658 4.066 1.00 0.00 H new ATOM 0 HB THR A 53 -2.301 -8.461 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.076 -6.720 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.243 -7.032 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.719 -8.399 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.536 -6.773 2.367 1.00 0.00 H new ATOM 881 N ASN A 54 -4.359 -9.617 4.313 1.00 0.00 N ATOM 882 CA ASN A 54 -5.266 -10.792 4.469 1.00 0.00 C ATOM 883 C ASN A 54 -6.626 -10.453 3.868 1.00 0.00 C ATOM 884 O ASN A 54 -7.414 -9.738 4.451 1.00 0.00 O ATOM 885 CB ASN A 54 -5.420 -11.112 5.957 1.00 0.00 C ATOM 886 CG ASN A 54 -6.047 -12.496 6.120 1.00 0.00 C ATOM 887 OD1 ASN A 54 -5.470 -13.487 5.721 1.00 0.00 O ATOM 888 ND2 ASN A 54 -7.216 -12.604 6.688 1.00 0.00 N ATOM 0 H ASN A 54 -4.539 -8.847 4.957 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.849 -11.659 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.448 -11.082 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.044 -10.359 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.647 -13.522 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.699 -11.770 7.023 1.00 0.00 H new ATOM 895 N THR A 55 -6.904 -10.959 2.697 1.00 0.00 N ATOM 896 CA THR A 55 -8.210 -10.667 2.040 1.00 0.00 C ATOM 897 C THR A 55 -9.209 -11.767 2.388 1.00 0.00 C ATOM 898 O THR A 55 -8.873 -12.936 2.409 1.00 0.00 O ATOM 899 CB THR A 55 -8.011 -10.621 0.524 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.165 -9.529 0.198 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.363 -10.442 -0.166 1.00 0.00 C ATOM 0 H THR A 55 -6.279 -11.565 2.165 1.00 0.00 H new ATOM 0 HA THR A 55 -8.591 -9.707 2.389 1.00 0.00 H new ATOM 0 HB THR A 55 -7.556 -11.552 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.033 -9.496 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.219 -10.409 -1.246 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.015 -11.278 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.821 -9.511 0.167 1.00 0.00 H new ATOM 909 N TYR A 56 -10.434 -11.404 2.664 1.00 0.00 N ATOM 910 CA TYR A 56 -11.469 -12.422 3.013 1.00 0.00 C ATOM 911 C TYR A 56 -12.400 -12.621 1.822 1.00 0.00 C ATOM 912 O TYR A 56 -12.859 -11.670 1.220 1.00 0.00 O ATOM 913 CB TYR A 56 -12.273 -11.917 4.206 1.00 0.00 C ATOM 914 CG TYR A 56 -11.380 -11.885 5.419 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.179 -13.050 6.167 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.747 -10.693 5.794 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.344 -13.024 7.290 1.00 0.00 C ATOM 918 CE2 TYR A 56 -9.912 -10.668 6.917 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.712 -11.834 7.666 1.00 0.00 C ATOM 920 OH TYR A 56 -8.888 -11.810 8.772 1.00 0.00 O ATOM 0 H TYR A 56 -10.764 -10.439 2.663 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.992 -13.370 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.666 -10.921 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.129 -12.567 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.668 -13.969 5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.903 -9.794 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.187 -13.924 7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.422 -9.750 7.206 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.403 -11.529 9.557 1.00 0.00 H new ATOM 930 N TYR A 57 -12.681 -13.853 1.477 1.00 0.00 N ATOM 931 CA TYR A 57 -13.585 -14.137 0.321 1.00 0.00 C ATOM 932 C TYR A 57 -14.833 -14.862 0.816 1.00 0.00 C ATOM 933 O TYR A 57 -14.747 -15.897 1.449 1.00 0.00 O ATOM 934 CB TYR A 57 -12.842 -15.026 -0.676 1.00 0.00 C ATOM 935 CG TYR A 57 -11.753 -14.220 -1.339 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.073 -13.345 -2.384 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.425 -14.339 -0.908 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.068 -12.591 -2.999 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.420 -13.583 -1.523 1.00 0.00 C ATOM 940 CZ TYR A 57 -9.742 -12.710 -2.569 1.00 0.00 C ATOM 941 OH TYR A 57 -8.751 -11.965 -3.176 1.00 0.00 O ATOM 0 H TYR A 57 -12.319 -14.681 1.951 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.879 -13.203 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.414 -15.888 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.534 -15.411 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.097 -13.252 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.177 -15.014 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.316 -11.917 -3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.396 -13.673 -1.191 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.888 -12.166 -2.757 1.00 0.00 H new ATOM 951 N SER A 58 -15.995 -14.329 0.528 1.00 0.00 N ATOM 952 CA SER A 58 -17.265 -14.982 0.969 1.00 0.00 C ATOM 953 C SER A 58 -18.265 -14.960 -0.189 1.00 0.00 C ATOM 954 O SER A 58 -18.222 -14.095 -1.042 1.00 0.00 O ATOM 955 CB SER A 58 -17.841 -14.227 2.163 1.00 0.00 C ATOM 956 OG SER A 58 -16.806 -13.990 3.110 1.00 0.00 O ATOM 0 H SER A 58 -16.118 -13.463 0.003 1.00 0.00 H new ATOM 0 HA SER A 58 -17.067 -16.013 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.275 -13.282 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.644 -14.805 2.621 1.00 0.00 H new ATOM 0 HG SER A 58 -17.171 -13.504 3.879 1.00 0.00 H new ATOM 962 N ASP A 59 -19.161 -15.904 -0.225 1.00 0.00 N ATOM 963 CA ASP A 59 -20.161 -15.947 -1.327 1.00 0.00 C ATOM 964 C ASP A 59 -21.054 -14.699 -1.280 1.00 0.00 C ATOM 965 O ASP A 59 -21.331 -14.086 -2.290 1.00 0.00 O ATOM 966 CB ASP A 59 -21.023 -17.198 -1.153 1.00 0.00 C ATOM 967 CG ASP A 59 -21.648 -17.196 0.244 1.00 0.00 C ATOM 968 OD1 ASP A 59 -21.204 -16.416 1.070 1.00 0.00 O ATOM 969 OD2 ASP A 59 -22.557 -17.979 0.468 1.00 0.00 O ATOM 0 H ASP A 59 -19.245 -16.651 0.464 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.647 -15.973 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.804 -17.223 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.416 -18.093 -1.290 1.00 0.00 H new ATOM 974 N THR A 60 -21.508 -14.323 -0.116 1.00 0.00 N ATOM 975 CA THR A 60 -22.382 -13.124 -0.002 1.00 0.00 C ATOM 976 C THR A 60 -21.601 -11.863 -0.381 1.00 0.00 C ATOM 977 O THR A 60 -22.079 -11.021 -1.115 1.00 0.00 O ATOM 978 CB THR A 60 -22.879 -13.011 1.439 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.629 -14.173 1.763 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.762 -11.773 1.588 1.00 0.00 C ATOM 0 H THR A 60 -21.309 -14.798 0.765 1.00 0.00 H new ATOM 0 HA THR A 60 -23.229 -13.225 -0.680 1.00 0.00 H new ATOM 0 HB THR A 60 -22.027 -12.922 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 60 -24.523 -13.911 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.113 -11.698 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.186 -10.883 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.618 -11.854 0.918 1.00 0.00 H new ATOM 988 N LEU A 61 -20.406 -11.725 0.124 1.00 0.00 N ATOM 989 CA LEU A 61 -19.590 -10.521 -0.194 1.00 0.00 C ATOM 990 C LEU A 61 -19.272 -10.497 -1.690 1.00 0.00 C ATOM 991 O LEU A 61 -19.287 -9.460 -2.321 1.00 0.00 O ATOM 992 CB LEU A 61 -18.286 -10.567 0.604 1.00 0.00 C ATOM 993 CG LEU A 61 -18.579 -10.444 2.108 1.00 0.00 C ATOM 994 CD1 LEU A 61 -17.268 -10.610 2.888 1.00 0.00 C ATOM 995 CD2 LEU A 61 -19.206 -9.071 2.425 1.00 0.00 C ATOM 0 H LEU A 61 -19.958 -12.398 0.746 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.149 -9.623 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.761 -11.501 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.628 -9.758 0.287 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.285 -11.221 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.467 -10.524 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.840 -11.590 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.564 -9.834 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.407 -9.001 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.516 -8.280 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -20.139 -8.961 1.872 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.978 -11.631 -2.258 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.654 -11.676 -3.708 1.00 0.00 C ATOM 1009 C HIS A 62 -19.822 -11.092 -4.503 1.00 0.00 C ATOM 1010 O HIS A 62 -19.636 -10.312 -5.415 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.429 -13.128 -4.120 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.081 -13.187 -5.578 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -19.021 -13.489 -6.548 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.901 -12.982 -6.248 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -18.399 -13.458 -7.740 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.104 -13.154 -7.614 1.00 0.00 N ATOM 0 H HIS A 62 -18.948 -12.531 -1.779 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.754 -11.094 -3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.627 -13.565 -3.526 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.326 -13.715 -3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.959 -12.726 -5.786 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -18.886 -13.655 -8.683 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.413 -13.067 -8.359 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.025 -11.455 -4.157 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.206 -10.915 -4.878 1.00 0.00 C ATOM 1026 C LYS A 63 -22.278 -9.402 -4.667 1.00 0.00 C ATOM 1027 O LYS A 63 -22.603 -8.651 -5.564 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.475 -11.572 -4.336 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.509 -13.045 -4.763 1.00 0.00 C ATOM 1030 CD LYS A 63 -24.823 -13.693 -4.303 1.00 0.00 C ATOM 1031 CE LYS A 63 -24.794 -13.964 -2.796 1.00 0.00 C ATOM 1032 NZ LYS A 63 -25.933 -14.856 -2.433 1.00 0.00 N ATOM 0 H LYS A 63 -21.240 -12.106 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.116 -11.128 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.501 -11.496 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.356 -11.052 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.416 -13.121 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.661 -13.577 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.661 -13.039 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -24.982 -14.627 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.849 -14.430 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -24.862 -13.026 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -25.916 -15.042 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.830 -14.394 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -25.848 -15.755 -2.950 1.00 0.00 H new ATOM 1046 N SER A 64 -21.979 -8.953 -3.480 1.00 0.00 N ATOM 1047 CA SER A 64 -22.025 -7.496 -3.193 1.00 0.00 C ATOM 1048 C SER A 64 -20.794 -6.827 -3.809 1.00 0.00 C ATOM 1049 O SER A 64 -20.640 -5.624 -3.762 1.00 0.00 O ATOM 1050 CB SER A 64 -22.025 -7.287 -1.678 1.00 0.00 C ATOM 1051 OG SER A 64 -23.219 -7.837 -1.133 1.00 0.00 O ATOM 0 H SER A 64 -21.703 -9.539 -2.692 1.00 0.00 H new ATOM 0 HA SER A 64 -22.927 -7.057 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.153 -7.765 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.960 -6.224 -1.445 1.00 0.00 H new ATOM 0 HG SER A 64 -23.225 -7.708 -0.162 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.915 -7.607 -4.381 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.683 -7.040 -5.001 1.00 0.00 C ATOM 1059 C ASN A 65 -17.862 -6.315 -3.938 1.00 0.00 C ATOM 1060 O ASN A 65 -17.284 -5.278 -4.190 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.056 -6.064 -6.122 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.825 -5.787 -6.989 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -17.900 -5.047 -7.949 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -16.684 -6.345 -6.686 1.00 0.00 N ATOM 0 H ASN A 65 -19.999 -8.621 -4.445 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.092 -7.853 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.857 -6.483 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.432 -5.133 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.858 -6.159 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.618 -6.967 -5.880 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.800 -6.870 -2.750 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.007 -6.249 -1.642 1.00 0.00 C ATOM 1073 C ILE A 66 -15.928 -7.231 -1.194 1.00 0.00 C ATOM 1074 O ILE A 66 -16.197 -8.391 -0.959 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.936 -5.921 -0.469 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.913 -4.823 -0.909 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.109 -5.444 0.738 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.981 -4.607 0.163 1.00 0.00 C ATOM 0 H ILE A 66 -18.272 -7.739 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.539 -5.328 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.492 -6.811 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.372 -3.894 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.384 -5.102 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.777 -5.213 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.416 -6.230 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.548 -4.551 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.668 -3.825 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.533 -5.534 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.504 -4.307 1.096 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.702 -6.775 -1.092 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.577 -7.675 -0.674 1.00 0.00 C ATOM 1092 C TYR A 67 -12.870 -7.086 0.556 1.00 0.00 C ATOM 1093 O TYR A 67 -11.923 -6.334 0.424 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.574 -7.782 -1.823 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.290 -8.272 -3.061 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.724 -9.601 -3.138 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.523 -7.397 -4.128 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.389 -10.054 -4.284 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.188 -7.850 -5.272 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.621 -9.179 -5.351 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.276 -9.626 -6.480 1.00 0.00 O ATOM 0 H TYR A 67 -14.429 -5.811 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.972 -8.660 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.115 -6.812 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.770 -8.468 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.546 -10.276 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.189 -6.372 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.723 -11.079 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.368 -7.174 -6.095 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.356 -8.892 -7.124 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.323 -7.419 1.746 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.706 -6.910 3.011 1.00 0.00 C ATOM 1113 C PRO A 68 -11.243 -7.343 3.149 1.00 0.00 C ATOM 1114 O PRO A 68 -10.865 -8.415 2.722 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.574 -7.527 4.130 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.843 -7.948 3.459 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.466 -8.303 2.024 1.00 0.00 C ATOM 0 HA PRO A 68 -12.686 -5.821 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.073 -8.377 4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.769 -6.803 4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.288 -8.803 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.580 -7.145 3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.194 -9.354 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.291 -8.123 1.335 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.413 -6.522 3.736 1.00 0.00 N ATOM 1126 CA PHE A 69 -8.979 -6.907 3.888 1.00 0.00 C ATOM 1127 C PHE A 69 -8.364 -6.202 5.097 1.00 0.00 C ATOM 1128 O PHE A 69 -8.791 -5.134 5.496 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.213 -6.510 2.625 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.253 -5.009 2.457 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -9.314 -4.412 1.767 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -7.228 -4.215 2.986 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -9.353 -3.023 1.606 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -7.267 -2.825 2.826 1.00 0.00 C ATOM 1135 CZ PHE A 69 -8.329 -2.229 2.136 1.00 0.00 C ATOM 0 H PHE A 69 -10.663 -5.608 4.114 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.915 -7.985 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.180 -6.851 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.653 -6.995 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.104 -5.025 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.408 -4.675 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.172 -2.563 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.477 -2.212 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.358 -1.156 2.012 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.345 -6.794 5.668 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.654 -6.180 6.841 1.00 0.00 C ATOM 1147 C ILE A 70 -5.148 -6.310 6.634 1.00 0.00 C ATOM 1148 O ILE A 70 -4.671 -7.307 6.132 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.059 -6.895 8.131 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.554 -6.681 8.379 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.259 -6.316 9.301 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.011 -7.564 9.540 1.00 0.00 C ATOM 0 H ILE A 70 -6.958 -7.688 5.366 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.937 -5.131 6.926 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.854 -7.962 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.749 -5.633 8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.121 -6.923 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.544 -6.823 10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.194 -6.462 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.468 -5.250 9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.076 -7.411 9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.830 -8.610 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.453 -7.301 10.439 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.393 -5.306 6.999 1.00 0.00 N ATOM 1165 CA LEU A 71 -2.911 -5.362 6.804 1.00 0.00 C ATOM 1166 C LEU A 71 -2.226 -5.655 8.133 1.00 0.00 C ATOM 1167 O LEU A 71 -2.601 -5.131 9.162 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.430 -4.013 6.274 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.231 -3.641 5.023 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.706 -2.321 4.460 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.103 -4.745 3.963 1.00 0.00 C ATOM 0 H LEU A 71 -4.739 -4.446 7.425 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.666 -6.151 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.552 -3.246 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.367 -4.061 6.037 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.282 -3.533 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.274 -2.054 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.815 -1.537 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.653 -2.430 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.677 -4.469 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.055 -4.869 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.486 -5.682 4.366 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.220 -6.495 8.111 1.00 0.00 N ATOM 1184 CA TYR A 72 -0.482 -6.849 9.361 1.00 0.00 C ATOM 1185 C TYR A 72 1.012 -6.632 9.156 1.00 0.00 C ATOM 1186 O TYR A 72 1.519 -6.700 8.052 1.00 0.00 O ATOM 1187 CB TYR A 72 -0.728 -8.320 9.694 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.158 -8.505 10.130 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.514 -8.274 11.463 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.128 -8.908 9.205 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -3.840 -8.445 11.874 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.456 -9.080 9.616 1.00 0.00 C ATOM 1193 CZ TYR A 72 -4.811 -8.848 10.951 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.119 -9.015 11.356 1.00 0.00 O ATOM 0 H TYR A 72 -0.876 -6.956 7.269 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.835 -6.218 10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.519 -8.941 8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.051 -8.643 10.485 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.764 -7.963 12.176 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.853 -9.086 8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.114 -8.266 12.903 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.206 -9.391 8.904 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.548 -9.700 10.802 1.00 0.00 H new ATOM 1204 N TYR A 73 1.724 -6.380 10.221 1.00 0.00 N ATOM 1205 CA TYR A 73 3.191 -6.169 10.113 1.00 0.00 C ATOM 1206 C TYR A 73 3.848 -6.634 11.414 1.00 0.00 C ATOM 1207 O TYR A 73 4.161 -5.843 12.276 1.00 0.00 O ATOM 1208 CB TYR A 73 3.476 -4.685 9.879 1.00 0.00 C ATOM 1209 CG TYR A 73 4.967 -4.472 9.781 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.658 -4.905 8.644 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.657 -3.841 10.822 1.00 0.00 C ATOM 1212 CE1 TYR A 73 7.041 -4.709 8.549 1.00 0.00 C ATOM 1213 CE2 TYR A 73 7.039 -3.644 10.726 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.731 -4.079 9.589 1.00 0.00 C ATOM 1215 OH TYR A 73 9.093 -3.886 9.495 1.00 0.00 O ATOM 0 H TYR A 73 1.347 -6.311 11.166 1.00 0.00 H new ATOM 0 HA TYR A 73 3.595 -6.739 9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.988 -4.349 8.964 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.065 -4.091 10.695 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.125 -5.390 7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.123 -3.506 11.699 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.575 -5.045 7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.572 -3.156 11.529 1.00 0.00 H new ATOM 0 HH TYR A 73 9.416 -3.433 10.302 1.00 0.00 H new ATOM 1225 N GLN A 74 4.053 -7.920 11.549 1.00 0.00 N ATOM 1226 CA GLN A 74 4.688 -8.476 12.784 1.00 0.00 C ATOM 1227 C GLN A 74 3.925 -8.018 14.034 1.00 0.00 C ATOM 1228 O GLN A 74 3.170 -8.770 14.616 1.00 0.00 O ATOM 1229 CB GLN A 74 6.139 -8.001 12.872 1.00 0.00 C ATOM 1230 CG GLN A 74 6.920 -8.500 11.651 1.00 0.00 C ATOM 1231 CD GLN A 74 6.970 -10.031 11.656 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.387 -10.633 12.624 1.00 0.00 O ATOM 1233 NE2 GLN A 74 6.555 -10.688 10.607 1.00 0.00 N ATOM 0 H GLN A 74 3.804 -8.617 10.847 1.00 0.00 H new ATOM 0 HA GLN A 74 4.658 -9.564 12.732 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.173 -6.913 12.918 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.599 -8.373 13.787 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.446 -8.146 10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.932 -8.094 11.664 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.205 -10.182 9.794 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.581 -11.708 10.601 1.00 0.00 H new ATOM 1242 N LYS A 75 4.128 -6.801 14.459 1.00 0.00 N ATOM 1243 CA LYS A 75 3.431 -6.299 15.679 1.00 0.00 C ATOM 1244 C LYS A 75 1.948 -6.684 15.640 1.00 0.00 C ATOM 1245 O LYS A 75 1.514 -7.573 16.344 1.00 0.00 O ATOM 1246 CB LYS A 75 3.562 -4.776 15.729 1.00 0.00 C ATOM 1247 CG LYS A 75 3.199 -4.267 17.128 1.00 0.00 C ATOM 1248 CD LYS A 75 3.492 -2.762 17.230 1.00 0.00 C ATOM 1249 CE LYS A 75 2.417 -1.956 16.491 1.00 0.00 C ATOM 1250 NZ LYS A 75 2.580 -0.509 16.811 1.00 0.00 N ATOM 0 H LYS A 75 4.750 -6.128 14.011 1.00 0.00 H new ATOM 0 HA LYS A 75 3.884 -6.745 16.564 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.581 -4.482 15.478 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.907 -4.321 14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.145 -4.456 17.331 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.770 -4.809 17.881 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.525 -2.462 18.277 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.473 -2.547 16.806 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.502 -2.114 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.424 -2.296 16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.852 0.041 16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.479 -0.367 17.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.523 -0.191 16.509 1.00 0.00 H new ATOM 1264 N GLN A 76 1.165 -6.019 14.836 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.286 -6.353 14.776 1.00 0.00 C ATOM 1266 C GLN A 76 -0.903 -5.749 13.516 1.00 0.00 C ATOM 1267 O GLN A 76 -0.227 -5.489 12.541 1.00 0.00 O ATOM 1268 CB GLN A 76 -0.992 -5.783 16.009 1.00 0.00 C ATOM 1269 CG GLN A 76 -0.915 -4.253 15.987 1.00 0.00 C ATOM 1270 CD GLN A 76 -1.448 -3.696 17.306 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.601 -4.422 18.268 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -1.741 -2.428 17.393 1.00 0.00 N ATOM 0 H GLN A 76 1.465 -5.263 14.221 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.405 -7.436 14.753 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.034 -6.104 16.025 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.526 -6.167 16.917 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.116 -3.932 15.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.497 -3.861 15.153 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.613 -1.818 16.585 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.099 -2.046 18.269 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.188 -5.525 13.534 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.864 -4.941 12.345 1.00 0.00 C ATOM 1283 C LEU A 77 -2.405 -3.496 12.155 1.00 0.00 C ATOM 1284 O LEU A 77 -2.240 -2.758 13.107 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.385 -4.984 12.548 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.799 -4.138 13.784 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.339 -2.770 13.339 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -5.897 -4.865 14.575 1.00 0.00 C ATOM 0 H LEU A 77 -2.800 -5.723 14.325 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.605 -5.518 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.886 -4.605 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.710 -6.016 12.682 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.919 -3.998 14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.625 -2.189 14.216 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.566 -2.236 12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.210 -2.913 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.181 -4.265 15.439 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.767 -5.015 13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.523 -5.832 14.912 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.191 -3.092 10.927 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.730 -1.696 10.646 1.00 0.00 C ATOM 1302 C ILE A 78 -2.867 -0.901 9.999 1.00 0.00 C ATOM 1303 O ILE A 78 -2.891 0.311 10.052 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.533 -1.758 9.690 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.611 -2.579 10.329 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.051 -0.341 9.358 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.452 -1.720 11.290 1.00 0.00 C ATOM 0 H ILE A 78 -2.317 -3.675 10.100 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.438 -1.205 11.574 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.841 -2.247 8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.193 -3.428 10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.252 -2.984 9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.799 -0.396 8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.859 0.216 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.250 0.165 10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.247 -2.329 11.721 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.890 -0.885 10.743 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.815 -1.337 12.087 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.817 -1.560 9.394 1.00 0.00 N ATOM 1320 CA ALA A 79 -4.936 -0.804 8.766 1.00 0.00 C ATOM 1321 C ALA A 79 -6.120 -1.728 8.505 1.00 0.00 C ATOM 1322 O ALA A 79 -5.960 -2.916 8.305 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.465 -0.207 7.440 1.00 0.00 C ATOM 0 H ALA A 79 -3.867 -2.575 9.308 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.247 -0.009 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.283 0.347 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.628 0.467 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.148 -1.008 6.772 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.309 -1.179 8.488 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.529 -1.998 8.218 1.00 0.00 C ATOM 1331 C ILE A 80 -9.358 -1.299 7.146 1.00 0.00 C ATOM 1332 O ILE A 80 -9.582 -0.107 7.207 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.356 -2.134 9.497 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.526 -2.876 10.547 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.633 -2.924 9.192 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.278 -2.911 11.878 1.00 0.00 C ATOM 0 H ILE A 80 -7.487 -0.188 8.651 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.239 -2.992 7.878 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.626 -1.148 9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.321 -3.892 10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.563 -2.382 10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.225 -3.023 10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.215 -2.397 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.368 -3.914 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.680 -3.441 12.620 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.461 -1.892 12.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.230 -3.425 11.745 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.813 -2.019 6.160 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.619 -1.366 5.097 1.00 0.00 C ATOM 1350 C GLY A 81 -11.138 -2.419 4.130 1.00 0.00 C ATOM 1351 O GLY A 81 -10.702 -3.553 4.147 1.00 0.00 O ATOM 0 H GLY A 81 -9.663 -3.021 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.453 -0.823 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.011 -0.635 4.563 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.072 -2.058 3.288 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.629 -3.046 2.315 1.00 0.00 C ATOM 1357 C PHE A 82 -12.808 -2.373 0.962 1.00 0.00 C ATOM 1358 O PHE A 82 -13.001 -1.176 0.874 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.985 -3.555 2.818 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.994 -2.433 2.827 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.716 -2.133 1.667 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.214 -1.699 3.999 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.660 -1.100 1.678 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.160 -0.667 4.009 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.882 -0.368 2.850 1.00 0.00 C ATOM 0 H PHE A 82 -12.473 -1.122 3.232 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.943 -3.887 2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.337 -4.365 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.878 -3.965 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.545 -2.699 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.655 -1.929 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.217 -0.868 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.332 -0.101 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.612 0.428 2.859 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.742 -3.127 -0.104 1.00 0.00 N ATOM 1376 CA ILE A 83 -12.907 -2.516 -1.453 1.00 0.00 C ATOM 1377 C ILE A 83 -14.384 -2.530 -1.844 1.00 0.00 C ATOM 1378 O ILE A 83 -15.009 -3.570 -1.917 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.094 -3.313 -2.475 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.604 -3.158 -2.163 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.377 -2.783 -3.882 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.798 -4.167 -2.979 1.00 0.00 C ATOM 0 H ILE A 83 -12.582 -4.134 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.551 -1.486 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.374 -4.365 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.278 -2.144 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.428 -3.313 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.797 -3.352 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.439 -2.888 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.097 -1.731 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.738 -4.053 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.116 -5.178 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.964 -3.991 -4.042 1.00 0.00 H new ATOM 1394 N ASP A 84 -14.935 -1.375 -2.101 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.368 -1.280 -2.497 1.00 0.00 C ATOM 1396 C ASP A 84 -16.552 -1.900 -3.881 1.00 0.00 C ATOM 1397 O ASP A 84 -15.750 -2.695 -4.318 1.00 0.00 O ATOM 1398 CB ASP A 84 -16.787 0.191 -2.549 1.00 0.00 C ATOM 1399 CG ASP A 84 -16.206 0.934 -1.346 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -15.629 0.282 -0.492 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -16.343 2.144 -1.302 1.00 0.00 O ATOM 0 H ASP A 84 -14.446 -0.481 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.981 -1.811 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.436 0.647 -3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.874 0.270 -2.547 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.610 -1.533 -4.563 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.878 -2.081 -5.927 1.00 0.00 C ATOM 1408 C GLU A 85 -16.577 -2.146 -6.738 1.00 0.00 C ATOM 1409 O GLU A 85 -16.242 -1.242 -7.478 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.897 -1.173 -6.626 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.241 -1.262 -5.893 1.00 0.00 C ATOM 1412 CD GLU A 85 -20.819 -2.672 -6.049 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -20.418 -3.352 -6.979 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.646 -3.046 -5.236 1.00 0.00 O ATOM 0 H GLU A 85 -18.307 -0.869 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.278 -3.092 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.540 -0.143 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.016 -1.475 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.107 -1.028 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.936 -0.526 -6.297 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.851 -3.224 -6.586 1.00 0.00 N ATOM 1422 CA ASN A 86 -14.564 -3.415 -7.314 1.00 0.00 C ATOM 1423 C ASN A 86 -13.777 -2.096 -7.400 1.00 0.00 C ATOM 1424 O ASN A 86 -13.038 -1.875 -8.338 1.00 0.00 O ATOM 1425 CB ASN A 86 -14.853 -3.970 -8.714 1.00 0.00 C ATOM 1426 CG ASN A 86 -13.548 -4.458 -9.348 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -12.833 -3.690 -9.956 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -13.207 -5.714 -9.230 1.00 0.00 N ATOM 0 H ASN A 86 -16.105 -3.998 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.947 -4.127 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.568 -4.790 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.306 -3.198 -9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.339 -6.048 -9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.808 -6.360 -8.719 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.905 -1.235 -6.410 1.00 0.00 N ATOM 1436 CA HIS A 87 -13.138 0.057 -6.414 1.00 0.00 C ATOM 1437 C HIS A 87 -13.410 0.832 -5.112 1.00 0.00 C ATOM 1438 O HIS A 87 -14.189 0.414 -4.279 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.542 0.925 -7.616 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.762 2.216 -7.594 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -13.153 3.520 -7.416 1.00 0.00 N flip ATOM 1442 CD2 HIS A 87 -11.386 2.258 -7.779 1.00 0.00 C flip ATOM 1443 CE1 HIS A 87 -12.044 4.358 -7.489 1.00 0.00 C flip ATOM 1444 NE2 HIS A 87 -11.005 3.548 -7.710 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.509 -1.373 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.076 -0.176 -6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.350 0.389 -8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.611 1.134 -7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.739 1.410 -7.948 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.027 5.433 -7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -10.042 3.867 -7.814 1.00 0.00 H new ATOM 1452 N ASP A 88 -12.763 1.959 -4.946 1.00 0.00 N ATOM 1453 CA ASP A 88 -12.948 2.795 -3.721 1.00 0.00 C ATOM 1454 C ASP A 88 -12.639 1.988 -2.463 1.00 0.00 C ATOM 1455 O ASP A 88 -13.264 0.987 -2.177 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.384 3.332 -3.649 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.572 4.448 -4.682 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.577 4.910 -5.216 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.709 4.824 -4.919 1.00 0.00 O ATOM 0 H ASP A 88 -12.102 2.341 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.255 3.634 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.093 2.526 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.591 3.711 -2.648 1.00 0.00 H new ATOM 1464 N MET A 89 -11.675 2.444 -1.701 1.00 0.00 N ATOM 1465 CA MET A 89 -11.294 1.751 -0.436 1.00 0.00 C ATOM 1466 C MET A 89 -11.807 2.557 0.753 1.00 0.00 C ATOM 1467 O MET A 89 -11.405 3.680 0.982 1.00 0.00 O ATOM 1468 CB MET A 89 -9.768 1.635 -0.369 1.00 0.00 C ATOM 1469 CG MET A 89 -9.312 0.525 -1.316 1.00 0.00 C ATOM 1470 SD MET A 89 -7.502 0.403 -1.299 1.00 0.00 S ATOM 1471 CE MET A 89 -7.197 0.872 -3.022 1.00 0.00 C ATOM 0 H MET A 89 -11.129 3.280 -1.908 1.00 0.00 H new ATOM 0 HA MET A 89 -11.734 0.754 -0.409 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.306 2.582 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.451 1.414 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.752 -0.426 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.662 0.732 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.143 1.117 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.459 0.041 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.805 1.740 -3.276 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.700 1.985 1.514 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.262 2.693 2.699 1.00 0.00 C ATOM 1483 C ASP A 90 -12.544 2.220 3.960 1.00 0.00 C ATOM 1484 O ASP A 90 -12.589 1.054 4.308 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.752 2.375 2.805 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.345 3.090 4.018 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.580 3.660 4.778 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.555 3.050 4.171 1.00 0.00 O ATOM 0 H ASP A 90 -13.068 1.046 1.363 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.123 3.769 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.267 2.690 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.899 1.299 2.897 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.872 3.114 4.643 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.140 2.729 5.887 1.00 0.00 C ATOM 1495 C PHE A 91 -11.954 3.159 7.109 1.00 0.00 C ATOM 1496 O PHE A 91 -12.492 4.248 7.155 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.786 3.434 5.906 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.044 3.107 4.634 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.443 1.853 4.477 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.968 4.055 3.606 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.764 1.548 3.294 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.290 3.748 2.421 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.689 2.493 2.267 1.00 0.00 C ATOM 0 H PHE A 91 -11.799 4.099 4.390 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.994 1.649 5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.924 4.512 5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.207 3.114 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.504 1.122 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.432 5.022 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.297 0.582 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.230 4.478 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.166 2.255 1.353 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.042 2.308 8.097 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.814 2.638 9.334 1.00 0.00 C ATOM 1515 C LEU A 92 -11.819 2.882 10.468 1.00 0.00 C ATOM 1516 O LEU A 92 -12.081 3.623 11.393 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.727 1.450 9.690 1.00 0.00 C ATOM 1518 CG LEU A 92 -13.061 0.122 9.249 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -13.481 -1.011 10.192 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -13.485 -0.240 7.814 1.00 0.00 C ATOM 0 H LEU A 92 -11.606 1.386 8.100 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.427 3.526 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.915 1.434 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.693 1.563 9.199 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.979 0.252 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.009 -1.941 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.169 -0.773 11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.565 -1.126 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.009 -1.175 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.568 -0.355 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.179 0.554 7.133 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.673 2.263 10.396 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.646 2.453 11.454 1.00 0.00 C ATOM 1534 C TYR A 93 -8.269 2.378 10.805 1.00 0.00 C ATOM 1535 O TYR A 93 -7.851 1.331 10.356 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.788 1.347 12.500 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.811 1.585 13.628 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.068 2.586 14.573 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.654 0.803 13.734 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.168 2.807 15.622 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.754 1.024 14.785 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.012 2.026 15.729 1.00 0.00 C ATOM 1543 OH TYR A 93 -6.125 2.242 16.765 1.00 0.00 O ATOM 0 H TYR A 93 -10.404 1.629 9.643 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.775 3.420 11.941 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.807 1.327 12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.601 0.375 12.043 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.961 3.188 14.492 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.456 0.030 13.006 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.366 3.581 16.349 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.861 0.422 14.867 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.377 1.613 16.692 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.565 3.482 10.745 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.206 3.488 10.118 1.00 0.00 C ATOM 1555 C LEU A 94 -5.158 3.805 11.180 1.00 0.00 C ATOM 1556 O LEU A 94 -5.230 4.815 11.851 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.158 4.553 9.016 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.819 4.481 8.263 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.679 3.134 7.532 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.758 5.630 7.248 1.00 0.00 C ATOM 0 H LEU A 94 -7.875 4.384 11.105 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.999 2.509 9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.983 4.403 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.285 5.544 9.452 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.001 4.569 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.725 3.103 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.720 2.321 8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.493 3.023 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.812 5.589 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.583 5.536 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.835 6.583 7.772 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.179 2.947 11.333 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.109 3.185 12.347 1.00 0.00 C ATOM 1574 C HIS A 95 -1.743 2.934 11.709 1.00 0.00 C ATOM 1575 O HIS A 95 -1.361 1.810 11.459 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.313 2.240 13.528 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.247 2.492 14.555 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.161 3.318 14.305 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.085 2.034 15.836 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.398 3.331 15.414 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.916 2.564 16.379 1.00 0.00 N ATOM 0 H HIS A 95 -4.076 2.087 10.795 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.157 4.215 12.700 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.299 2.394 13.966 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.272 1.204 13.191 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.760 1.364 16.347 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.520 3.892 15.512 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.537 2.402 17.312 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.003 3.980 11.444 1.00 0.00 N ATOM 1590 CA ASN A 96 0.344 3.818 10.821 1.00 0.00 C ATOM 1591 C ASN A 96 1.414 3.846 11.916 1.00 0.00 C ATOM 1592 O ASN A 96 1.115 3.981 13.086 1.00 0.00 O ATOM 1593 CB ASN A 96 0.588 4.963 9.830 1.00 0.00 C ATOM 1594 CG ASN A 96 0.534 6.300 10.567 1.00 0.00 C ATOM 1595 OD1 ASN A 96 0.838 6.369 11.735 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.163 7.374 9.923 1.00 0.00 N ATOM 0 H ASN A 96 -1.276 4.944 11.634 1.00 0.00 H new ATOM 0 HA ASN A 96 0.392 2.867 10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.559 4.840 9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.164 4.941 9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.130 8.272 10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.093 7.315 8.938 1.00 0.00 H new ATOM 1603 N THR A 97 2.655 3.721 11.545 1.00 0.00 N ATOM 1604 CA THR A 97 3.746 3.741 12.558 1.00 0.00 C ATOM 1605 C THR A 97 3.817 5.120 13.215 1.00 0.00 C ATOM 1606 O THR A 97 4.446 5.293 14.239 1.00 0.00 O ATOM 1607 CB THR A 97 5.076 3.441 11.870 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.256 4.338 10.783 1.00 0.00 O ATOM 1609 CG2 THR A 97 5.067 2.003 11.354 1.00 0.00 C ATOM 0 H THR A 97 2.963 3.605 10.580 1.00 0.00 H new ATOM 0 HA THR A 97 3.545 2.989 13.321 1.00 0.00 H new ATOM 0 HB THR A 97 5.893 3.565 12.581 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.110 4.149 10.341 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.016 1.787 10.862 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.927 1.317 12.190 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.252 1.877 10.641 1.00 0.00 H new ATOM 1617 N VAL A 98 3.188 6.108 12.620 1.00 0.00 N ATOM 1618 CA VAL A 98 3.220 7.495 13.186 1.00 0.00 C ATOM 1619 C VAL A 98 1.808 7.924 13.588 1.00 0.00 C ATOM 1620 O VAL A 98 1.233 8.830 13.027 1.00 0.00 O ATOM 1621 CB VAL A 98 3.795 8.463 12.132 1.00 0.00 C ATOM 1622 CG1 VAL A 98 3.067 8.279 10.789 1.00 0.00 C ATOM 1623 CG2 VAL A 98 3.655 9.931 12.616 1.00 0.00 C ATOM 0 H VAL A 98 2.650 6.011 11.759 1.00 0.00 H new ATOM 0 HA VAL A 98 3.855 7.514 14.072 1.00 0.00 H new ATOM 0 HB VAL A 98 4.853 8.239 11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.482 8.968 10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.198 7.254 10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.005 8.484 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.065 10.603 11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.602 10.163 12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.200 10.059 13.551 1.00 0.00 H new ATOM 1633 N MET A 99 1.261 7.276 14.579 1.00 0.00 N ATOM 1634 CA MET A 99 -0.107 7.625 15.071 1.00 0.00 C ATOM 1635 C MET A 99 -1.133 7.482 13.931 1.00 0.00 C ATOM 1636 O MET A 99 -0.802 7.598 12.771 1.00 0.00 O ATOM 1637 CB MET A 99 -0.096 9.087 15.627 1.00 0.00 C ATOM 1638 CG MET A 99 -0.969 10.032 14.769 1.00 0.00 C ATOM 1639 SD MET A 99 -0.766 11.750 15.302 1.00 0.00 S ATOM 1640 CE MET A 99 -1.080 12.498 13.679 1.00 0.00 C ATOM 0 H MET A 99 1.709 6.507 15.078 1.00 0.00 H new ATOM 0 HA MET A 99 -0.394 6.943 15.871 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.460 9.088 16.654 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.928 9.459 15.651 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.693 9.937 13.719 1.00 0.00 H new ATOM 0 HG3 MET A 99 -2.016 9.742 14.851 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.008 13.583 13.758 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.342 12.136 12.963 1.00 0.00 H new ATOM 0 HE3 MET A 99 -2.079 12.225 13.340 1.00 0.00 H new ATOM 1650 N PRO A 100 -2.380 7.280 14.267 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.475 7.180 13.258 1.00 0.00 C ATOM 1652 C PRO A 100 -3.765 8.530 12.590 1.00 0.00 C ATOM 1653 O PRO A 100 -3.692 9.570 13.211 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.680 6.692 14.077 1.00 0.00 C ATOM 1655 CG PRO A 100 -4.405 7.143 15.477 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.885 7.116 15.640 1.00 0.00 C ATOM 0 HA PRO A 100 -3.220 6.511 12.436 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.611 7.117 13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.780 5.608 14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.798 8.145 15.648 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.886 6.485 16.200 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.539 7.918 16.292 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.547 6.178 16.081 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.101 8.510 11.324 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.404 9.776 10.593 1.00 0.00 C ATOM 1666 C LEU A 101 -5.918 9.912 10.445 1.00 0.00 C ATOM 1667 O LEU A 101 -6.500 10.921 10.789 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.778 9.708 9.201 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.318 9.262 9.311 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.689 9.233 7.914 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.542 10.229 10.214 1.00 0.00 C ATOM 0 H LEU A 101 -4.179 7.662 10.762 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.003 10.628 11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.335 9.010 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.835 10.684 8.719 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.277 8.264 9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.649 8.916 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.237 8.533 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.733 10.229 7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.504 9.905 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.580 11.232 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.990 10.238 11.208 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.561 8.899 9.923 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.040 8.964 9.737 1.00 0.00 C ATOM 1685 C LEU A 102 -8.741 8.530 11.024 1.00 0.00 C ATOM 1686 O LEU A 102 -9.203 9.346 11.795 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.452 8.020 8.598 1.00 0.00 C ATOM 1688 CG LEU A 102 -9.964 8.133 8.326 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.311 9.535 7.794 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -10.367 7.072 7.294 1.00 0.00 C ATOM 0 H LEU A 102 -6.124 8.029 9.618 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.327 9.987 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.894 8.265 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.199 6.993 8.859 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.509 7.972 9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.383 9.598 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.027 10.285 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.769 9.716 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.436 7.145 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.814 7.236 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.137 6.080 7.683 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.829 7.244 11.248 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.507 6.716 12.468 1.00 0.00 C ATOM 1704 C ASP A 103 -10.768 7.524 12.771 1.00 0.00 C ATOM 1705 O ASP A 103 -10.839 8.239 13.748 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.552 6.754 13.661 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.180 8.200 13.991 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.402 8.777 13.251 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.677 8.704 14.985 1.00 0.00 O ATOM 0 H ASP A 103 -8.454 6.527 10.627 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.796 5.681 12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.020 6.284 14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.652 6.181 13.435 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.771 7.400 11.936 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.048 8.139 12.159 1.00 0.00 C ATOM 1716 C GLN A 104 -14.088 7.169 12.719 1.00 0.00 C ATOM 1717 O GLN A 104 -14.476 6.211 12.079 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.538 8.718 10.829 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.707 9.956 10.472 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.086 11.115 11.400 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -12.568 11.228 12.492 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -13.971 11.989 11.004 1.00 0.00 N ATOM 0 H GLN A 104 -11.757 6.812 11.102 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.891 8.954 12.866 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.452 7.970 10.041 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.593 8.984 10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -11.644 9.733 10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.882 10.237 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.406 11.894 10.086 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.227 12.767 11.612 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.527 7.410 13.920 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.531 6.518 14.560 1.00 0.00 C ATOM 1733 C ARG A 105 -16.832 6.536 13.753 1.00 0.00 C ATOM 1734 O ARG A 105 -17.575 5.576 13.737 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.799 7.016 15.983 1.00 0.00 C ATOM 1736 CG ARG A 105 -14.501 7.001 16.811 1.00 0.00 C ATOM 1737 CD ARG A 105 -14.211 5.589 17.335 1.00 0.00 C ATOM 1738 NE ARG A 105 -15.369 5.115 18.146 1.00 0.00 N ATOM 1739 CZ ARG A 105 -15.457 5.418 19.415 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -14.527 6.136 19.985 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -16.481 5.005 20.112 1.00 0.00 N ATOM 0 H ARG A 105 -14.229 8.199 14.494 1.00 0.00 H new ATOM 0 HA ARG A 105 -15.150 5.497 14.590 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.205 8.027 15.951 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -16.549 6.386 16.460 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.668 7.345 16.198 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.589 7.694 17.648 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.034 4.909 16.502 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.305 5.593 17.941 1.00 0.00 H new ATOM 0 HE ARG A 105 -16.097 4.551 17.708 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.729 6.462 19.440 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.599 6.371 20.975 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.210 4.447 19.666 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.552 5.240 21.102 1.00 0.00 H new ATOM 1755 N TYR A 106 -17.126 7.621 13.095 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.387 7.691 12.309 1.00 0.00 C ATOM 1757 C TYR A 106 -18.402 6.551 11.288 1.00 0.00 C ATOM 1758 O TYR A 106 -19.368 5.826 11.165 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.436 9.026 11.565 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.248 10.162 12.542 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.348 10.693 13.225 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.969 10.691 12.757 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.170 11.753 14.123 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.790 11.750 13.656 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.890 12.281 14.339 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.716 13.326 15.223 1.00 0.00 O ATOM 0 H TYR A 106 -16.548 8.461 13.068 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.245 7.605 12.975 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.658 9.057 10.803 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.391 9.131 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.334 10.285 13.060 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.120 10.282 12.229 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.019 12.163 14.649 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.803 12.157 13.822 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.768 13.572 15.257 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.332 6.384 10.561 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.269 5.291 9.554 1.00 0.00 C ATOM 1778 C LEU A 107 -17.309 3.942 10.274 1.00 0.00 C ATOM 1779 O LEU A 107 -17.959 3.013 9.840 1.00 0.00 O ATOM 1780 CB LEU A 107 -15.965 5.413 8.762 1.00 0.00 C ATOM 1781 CG LEU A 107 -15.995 6.682 7.895 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -14.607 6.909 7.286 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.044 6.546 6.770 1.00 0.00 C ATOM 0 H LEU A 107 -16.494 6.962 10.623 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.116 5.364 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.117 5.449 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.829 4.534 8.131 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.268 7.533 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -14.623 7.808 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.875 7.029 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -14.335 6.052 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.051 7.454 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.793 5.693 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.030 6.395 7.209 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.607 3.831 11.367 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.586 2.548 12.121 1.00 0.00 C ATOM 1797 C LEU A 108 -18.001 2.231 12.613 1.00 0.00 C ATOM 1798 O LEU A 108 -18.469 1.115 12.525 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.642 2.706 13.324 1.00 0.00 C ATOM 1800 CG LEU A 108 -15.122 1.340 13.788 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -14.102 1.551 14.913 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -16.284 0.462 14.291 1.00 0.00 C ATOM 0 H LEU A 108 -16.044 4.579 11.772 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.239 1.736 11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.803 3.347 13.053 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.167 3.198 14.143 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.648 0.832 12.948 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.726 0.585 15.250 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.273 2.154 14.544 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.581 2.065 15.747 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -15.896 -0.503 14.616 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.777 0.956 15.128 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -17.002 0.312 13.485 1.00 0.00 H new ATOM 1814 N THR A 109 -18.686 3.217 13.130 1.00 0.00 N ATOM 1815 CA THR A 109 -20.068 2.997 13.641 1.00 0.00 C ATOM 1816 C THR A 109 -21.080 3.369 12.555 1.00 0.00 C ATOM 1817 O THR A 109 -22.274 3.294 12.751 1.00 0.00 O ATOM 1818 CB THR A 109 -20.275 3.864 14.884 1.00 0.00 C ATOM 1819 OG1 THR A 109 -20.188 5.235 14.523 1.00 0.00 O ATOM 1820 CG2 THR A 109 -19.189 3.533 15.913 1.00 0.00 C ATOM 0 H THR A 109 -18.343 4.173 13.220 1.00 0.00 H new ATOM 0 HA THR A 109 -20.211 1.949 13.904 1.00 0.00 H new ATOM 0 HB THR A 109 -21.257 3.666 15.313 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.250 5.474 14.368 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.331 4.148 16.802 1.00 0.00 H new ATOM 0 HG22 THR A 109 -19.255 2.480 16.186 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.208 3.736 15.484 1.00 0.00 H new ATOM 1828 N GLY A 110 -20.604 3.748 11.398 1.00 0.00 N ATOM 1829 CA GLY A 110 -21.530 4.098 10.282 1.00 0.00 C ATOM 1830 C GLY A 110 -21.987 5.553 10.391 1.00 0.00 C ATOM 1831 O GLY A 110 -21.797 6.207 11.396 1.00 0.00 O ATOM 0 H GLY A 110 -19.611 3.830 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.031 3.940 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.397 3.437 10.302 1.00 0.00 H new ATOM 1835 N GLY A 111 -22.584 6.060 9.344 1.00 0.00 N ATOM 1836 CA GLY A 111 -23.055 7.474 9.347 1.00 0.00 C ATOM 1837 C GLY A 111 -24.288 7.628 10.240 1.00 0.00 C ATOM 1838 O GLY A 111 -25.118 6.748 10.332 1.00 0.00 O ATOM 0 H GLY A 111 -22.766 5.549 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.258 8.128 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -23.294 7.786 8.330 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.414 8.757 10.887 1.00 0.00 N ATOM 1843 CA GLN A 112 -25.591 9.005 11.770 1.00 0.00 C ATOM 1844 C GLN A 112 -25.892 7.770 12.619 1.00 0.00 C ATOM 1845 O GLN A 112 -26.570 6.857 12.196 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.806 9.359 10.910 1.00 0.00 C ATOM 1847 CG GLN A 112 -26.637 10.777 10.349 1.00 0.00 C ATOM 1848 CD GLN A 112 -26.966 11.807 11.434 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -26.211 12.729 11.660 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -28.071 11.688 12.118 1.00 0.00 N ATOM 0 H GLN A 112 -23.745 9.525 10.840 1.00 0.00 H new ATOM 0 HA GLN A 112 -25.365 9.835 12.439 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -26.909 8.643 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -27.717 9.298 11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -25.615 10.919 9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -27.292 10.918 9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -28.707 10.913 11.929 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -28.299 12.370 12.842 1.00 0.00 H new ATOM 1859 N LEU A 113 -25.396 7.753 13.827 1.00 0.00 N ATOM 1860 CA LEU A 113 -25.648 6.597 14.733 1.00 0.00 C ATOM 1861 C LEU A 113 -26.953 6.854 15.494 1.00 0.00 C ATOM 1862 O LEU A 113 -27.435 6.011 16.221 1.00 0.00 O ATOM 1863 CB LEU A 113 -24.484 6.471 15.735 1.00 0.00 C ATOM 1864 CG LEU A 113 -23.964 7.879 16.132 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -23.456 7.867 17.580 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -22.813 8.304 15.204 1.00 0.00 C ATOM 0 H LEU A 113 -24.823 8.496 14.227 1.00 0.00 H new ATOM 0 HA LEU A 113 -25.726 5.675 14.157 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -24.816 5.934 16.624 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -23.676 5.888 15.293 1.00 0.00 H new ATOM 0 HG LEU A 113 -24.788 8.586 16.038 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -23.094 8.860 17.847 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -24.270 7.586 18.249 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -22.643 7.147 17.674 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -22.458 9.293 15.494 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -21.996 7.587 15.286 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -23.168 8.333 14.174 1.00 0.00 H new ATOM 1878 N GLU A 114 -27.516 8.022 15.337 1.00 0.00 N ATOM 1879 CA GLU A 114 -28.780 8.351 16.056 1.00 0.00 C ATOM 1880 C GLU A 114 -29.987 7.805 15.290 1.00 0.00 C ATOM 1881 O GLU A 114 -29.950 7.626 14.089 1.00 0.00 O ATOM 1882 CB GLU A 114 -28.901 9.867 16.199 1.00 0.00 C ATOM 1883 CG GLU A 114 -27.829 10.369 17.168 1.00 0.00 C ATOM 1884 CD GLU A 114 -27.911 11.891 17.274 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -28.782 12.463 16.641 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -27.100 12.460 17.987 1.00 0.00 O ATOM 0 H GLU A 114 -27.153 8.765 14.739 1.00 0.00 H new ATOM 0 HA GLU A 114 -28.758 7.890 17.044 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -28.783 10.346 15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -29.893 10.131 16.566 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -27.971 9.917 18.150 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -26.840 10.071 16.820 1.00 0.00 H new ATOM 1893 N HIS A 115 -31.056 7.531 15.988 1.00 0.00 N ATOM 1894 CA HIS A 115 -32.272 6.981 15.328 1.00 0.00 C ATOM 1895 C HIS A 115 -33.019 8.080 14.564 1.00 0.00 C ATOM 1896 O HIS A 115 -32.670 9.242 14.618 1.00 0.00 O ATOM 1897 CB HIS A 115 -33.195 6.399 16.396 1.00 0.00 C ATOM 1898 CG HIS A 115 -32.553 5.177 16.990 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -31.667 5.250 18.053 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -32.651 3.846 16.673 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -31.270 3.997 18.335 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -31.839 3.102 17.524 1.00 0.00 N ATOM 0 H HIS A 115 -31.138 7.666 16.996 1.00 0.00 H new ATOM 0 HA HIS A 115 -31.970 6.208 14.621 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -33.384 7.139 17.173 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -34.160 6.142 15.959 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -33.265 3.438 15.884 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -30.575 3.745 19.122 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -31.707 2.091 17.527 1.00 0.00 H new ATOM 1910 N HIS A 116 -34.051 7.707 13.854 1.00 0.00 N ATOM 1911 CA HIS A 116 -34.843 8.702 13.079 1.00 0.00 C ATOM 1912 C HIS A 116 -35.440 9.737 14.034 1.00 0.00 C ATOM 1913 O HIS A 116 -35.445 10.919 13.759 1.00 0.00 O ATOM 1914 CB HIS A 116 -35.978 7.975 12.358 1.00 0.00 C ATOM 1915 CG HIS A 116 -36.759 8.952 11.525 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -36.249 9.499 10.360 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -38.016 9.484 11.671 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -37.185 10.322 9.854 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -38.283 10.350 10.615 1.00 0.00 N ATOM 0 H HIS A 116 -34.381 6.745 13.778 1.00 0.00 H new ATOM 0 HA HIS A 116 -34.198 9.203 12.357 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -35.573 7.186 11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -36.635 7.496 13.084 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -38.694 9.264 12.482 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -37.064 10.891 8.944 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -39.134 10.890 10.456 1.00 0.00 H new ATOM 1927 N HIS A 117 -35.957 9.301 15.152 1.00 0.00 N ATOM 1928 CA HIS A 117 -36.565 10.263 16.115 1.00 0.00 C ATOM 1929 C HIS A 117 -35.470 10.880 16.986 1.00 0.00 C ATOM 1930 O HIS A 117 -34.622 10.192 17.518 1.00 0.00 O ATOM 1931 CB HIS A 117 -37.582 9.531 16.995 1.00 0.00 C ATOM 1932 CG HIS A 117 -37.017 8.213 17.451 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -36.262 8.094 18.606 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -37.102 6.948 16.925 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -35.926 6.797 18.739 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -36.413 6.054 17.740 1.00 0.00 N ATOM 0 H HIS A 117 -35.984 8.323 15.439 1.00 0.00 H new ATOM 0 HA HIS A 117 -37.072 11.056 15.566 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -37.836 10.145 17.859 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -38.505 9.367 16.438 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -37.624 6.686 16.017 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -35.335 6.405 19.553 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -36.303 5.049 17.604 1.00 0.00 H new ATOM 1944 N HIS A 118 -35.477 12.181 17.127 1.00 0.00 N ATOM 1945 CA HIS A 118 -34.432 12.854 17.951 1.00 0.00 C ATOM 1946 C HIS A 118 -34.877 12.913 19.414 1.00 0.00 C ATOM 1947 O HIS A 118 -35.872 13.527 19.747 1.00 0.00 O ATOM 1948 CB HIS A 118 -34.217 14.275 17.423 1.00 0.00 C ATOM 1949 CG HIS A 118 -35.506 15.051 17.496 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -36.546 14.846 16.600 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -35.934 16.043 18.344 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -37.535 15.698 16.925 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -37.215 16.451 17.981 1.00 0.00 N ATOM 0 H HIS A 118 -36.164 12.806 16.705 1.00 0.00 H new ATOM 0 HA HIS A 118 -33.501 12.290 17.887 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -33.447 14.777 18.009 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -33.862 14.240 16.393 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -35.363 16.446 19.168 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -38.474 15.765 16.396 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -37.786 17.170 18.426 1.00 0.00 H new ATOM 1961 N HIS A 119 -34.143 12.284 20.295 1.00 0.00 N ATOM 1962 CA HIS A 119 -34.518 12.310 21.738 1.00 0.00 C ATOM 1963 C HIS A 119 -33.272 12.077 22.595 1.00 0.00 C ATOM 1964 O HIS A 119 -32.409 11.293 22.254 1.00 0.00 O ATOM 1965 CB HIS A 119 -35.543 11.213 22.027 1.00 0.00 C ATOM 1966 CG HIS A 119 -35.874 11.225 23.494 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -36.625 12.234 24.073 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -35.554 10.363 24.514 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -36.732 11.959 25.385 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -36.098 10.829 25.708 1.00 0.00 N ATOM 0 H HIS A 119 -33.300 11.753 20.076 1.00 0.00 H new ATOM 0 HA HIS A 119 -34.951 13.281 21.977 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -36.445 11.375 21.436 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -35.144 10.240 21.739 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -34.970 9.461 24.406 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -37.266 12.577 26.092 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -36.027 10.400 26.631 1.00 0.00 H new ATOM 1978 N HIS A 120 -33.178 12.747 23.711 1.00 0.00 N ATOM 1979 CA HIS A 120 -31.998 12.564 24.599 1.00 0.00 C ATOM 1980 C HIS A 120 -32.257 13.287 25.921 1.00 0.00 C ATOM 1981 O HIS A 120 -31.599 12.958 26.892 1.00 0.00 O ATOM 1982 CB HIS A 120 -30.742 13.136 23.925 1.00 0.00 C ATOM 1983 CG HIS A 120 -30.822 14.640 23.864 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -31.518 15.304 22.868 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -30.288 15.618 24.666 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -31.386 16.625 23.091 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -30.645 16.871 24.175 1.00 0.00 N ATOM 1988 OXT HIS A 120 -33.112 14.159 25.936 1.00 0.00 O ATOM 0 H HIS A 120 -33.871 13.416 24.046 1.00 0.00 H new ATOM 0 HA HIS A 120 -31.839 11.502 24.786 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -29.854 12.834 24.480 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -30.643 12.729 22.919 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -29.683 15.442 25.544 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -31.825 17.392 22.470 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -30.394 17.782 24.560 1.00 0.00 H new TER 1996 HIS A 120