USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 67 TYR OH : rot -80:sc= -5! USER MOD Set 1.2: A 77 MET CE :methyl 176:sc= -3.38! (180deg=-3.58!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.72! C(o=-14!,f=-25!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -7.12! C(o=-14!,f=-16!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -92:sc= -1.8! USER MOD Single : A 14 CYS SG : rot -140:sc= -2.94! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 138:sc= -1.53! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.51) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -5.51! (180deg=-7.79!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.21! C(o=-4.2!,f=-7.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -16.5! C(o=-16!,f=-21!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 55 MET CE :methyl 160:sc= -16.9! (180deg=-18.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -160:sc= -0.317 USER MOD Single : A 68 LYS NZ :NH3+ -114:sc= -1.31 (180deg=-3.07!) USER MOD Single : A 69 GLN : amide:sc= -5.28! C(o=-5.3!,f=-7.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 80 CYS SG : rot -19:sc= -5.96! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 143:sc= -0.682! USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.0911 (180deg=-0.466) USER MOD Single : A 103 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 107 GLN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -95:sc= -0.189! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.464 -15.105 -0.575 1.00 0.00 N ATOM 2 CA SER A 1 -10.194 -15.805 -0.655 1.00 0.00 C ATOM 3 C SER A 1 -9.068 -14.814 -0.958 1.00 0.00 C ATOM 4 O SER A 1 -8.362 -14.956 -1.956 1.00 0.00 O ATOM 5 CB SER A 1 -10.235 -16.903 -1.721 1.00 0.00 C ATOM 6 OG SER A 1 -10.808 -18.108 -1.223 1.00 0.00 O ATOM 0 H1 SER A 1 -12.223 -15.785 -0.369 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.421 -14.394 0.183 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.658 -14.634 -1.481 1.00 0.00 H new ATOM 0 HA SER A 1 -10.004 -16.278 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.811 -16.555 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.224 -17.102 -2.076 1.00 0.00 H new ATOM 0 HG SER A 1 -10.818 -18.783 -1.933 1.00 0.00 H new ATOM 11 N LEU A 2 -8.935 -13.832 -0.080 1.00 0.00 N ATOM 12 CA LEU A 2 -7.908 -12.817 -0.240 1.00 0.00 C ATOM 13 C LEU A 2 -6.539 -13.494 -0.335 1.00 0.00 C ATOM 14 O LEU A 2 -6.264 -14.449 0.390 1.00 0.00 O ATOM 15 CB LEU A 2 -8.003 -11.775 0.877 1.00 0.00 C ATOM 16 CG LEU A 2 -6.744 -10.944 1.127 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.865 -9.560 0.485 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.433 -10.856 2.623 1.00 0.00 C ATOM 0 H LEU A 2 -9.522 -13.717 0.746 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.058 -12.267 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.823 -11.095 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.266 -12.287 1.803 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.902 -11.448 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.957 -8.989 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.004 -9.669 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.720 -9.035 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.533 -10.260 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.269 -10.387 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.275 -11.858 3.021 1.00 0.00 H new ATOM 29 N GLY A 3 -5.717 -12.972 -1.233 1.00 0.00 N ATOM 30 CA GLY A 3 -4.383 -13.514 -1.432 1.00 0.00 C ATOM 31 C GLY A 3 -3.341 -12.699 -0.663 1.00 0.00 C ATOM 32 O GLY A 3 -3.666 -12.039 0.322 1.00 0.00 O ATOM 0 H GLY A 3 -5.949 -12.179 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.355 -14.552 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.140 -13.512 -2.495 1.00 0.00 H new ATOM 36 N ILE A 4 -2.108 -12.774 -1.143 1.00 0.00 N ATOM 37 CA ILE A 4 -1.015 -12.051 -0.514 1.00 0.00 C ATOM 38 C ILE A 4 0.294 -12.392 -1.229 1.00 0.00 C ATOM 39 O ILE A 4 0.555 -13.555 -1.535 1.00 0.00 O ATOM 40 CB ILE A 4 -0.984 -12.330 0.990 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.700 -11.050 1.779 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.013 -13.442 1.322 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.286 -10.151 1.030 1.00 0.00 C ATOM 0 H ILE A 4 -1.842 -13.324 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.163 -10.976 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.970 -12.682 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.631 -10.510 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.294 -11.305 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.015 -13.620 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.276 -14.356 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.011 -13.143 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.470 -9.248 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.225 -10.685 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.134 -9.878 0.062 1.00 0.00 H new ATOM 54 N ASP A 5 1.083 -11.356 -1.475 1.00 0.00 N ATOM 55 CA ASP A 5 2.359 -11.531 -2.149 1.00 0.00 C ATOM 56 C ASP A 5 3.374 -10.541 -1.574 1.00 0.00 C ATOM 57 O ASP A 5 2.996 -9.496 -1.046 1.00 0.00 O ATOM 58 CB ASP A 5 2.231 -11.259 -3.650 1.00 0.00 C ATOM 59 CG ASP A 5 2.958 -12.258 -4.551 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.618 -13.451 -4.588 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.925 -11.762 -5.246 1.00 0.00 O ATOM 0 H ASP A 5 0.864 -10.393 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 5 2.684 -12.560 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.174 -11.256 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.614 -10.260 -3.857 1.00 0.00 H new ATOM 66 N MET A 6 4.642 -10.906 -1.694 1.00 0.00 N ATOM 67 CA MET A 6 5.714 -10.062 -1.194 1.00 0.00 C ATOM 68 C MET A 6 6.967 -10.195 -2.062 1.00 0.00 C ATOM 69 O MET A 6 7.317 -11.294 -2.490 1.00 0.00 O ATOM 70 CB MET A 6 6.045 -10.460 0.245 1.00 0.00 C ATOM 71 CG MET A 6 4.904 -10.089 1.194 1.00 0.00 C ATOM 72 SD MET A 6 5.103 -10.938 2.751 1.00 0.00 S ATOM 73 CE MET A 6 3.800 -12.150 2.614 1.00 0.00 C ATOM 0 H MET A 6 4.951 -11.775 -2.130 1.00 0.00 H new ATOM 0 HA MET A 6 5.381 -9.025 -1.227 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.230 -11.533 0.296 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.962 -9.963 0.562 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.892 -9.011 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.947 -10.354 0.746 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.784 -12.770 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.841 -11.643 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.978 -12.779 1.742 1.00 0.00 H new ATOM 81 N ASN A 7 7.608 -9.059 -2.295 1.00 0.00 N ATOM 82 CA ASN A 7 8.815 -9.035 -3.105 1.00 0.00 C ATOM 83 C ASN A 7 9.752 -7.943 -2.583 1.00 0.00 C ATOM 84 O ASN A 7 9.304 -6.981 -1.962 1.00 0.00 O ATOM 85 CB ASN A 7 8.491 -8.720 -4.567 1.00 0.00 C ATOM 86 CG ASN A 7 8.905 -9.875 -5.481 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.141 -10.783 -5.762 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.155 -9.790 -5.928 1.00 0.00 N ATOM 0 H ASN A 7 7.315 -8.150 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 7 9.283 -10.018 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.423 -8.532 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.007 -7.809 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.526 -10.513 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.742 -9.002 -5.654 1.00 0.00 H new ATOM 94 N VAL A 8 11.035 -8.130 -2.855 1.00 0.00 N ATOM 95 CA VAL A 8 12.038 -7.173 -2.420 1.00 0.00 C ATOM 96 C VAL A 8 12.753 -6.598 -3.644 1.00 0.00 C ATOM 97 O VAL A 8 12.876 -7.270 -4.668 1.00 0.00 O ATOM 98 CB VAL A 8 12.995 -7.834 -1.424 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.364 -8.081 -2.061 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.126 -6.997 -0.151 1.00 0.00 C ATOM 0 H VAL A 8 11.403 -8.929 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 8 11.569 -6.340 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 8 12.575 -8.801 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.025 -8.551 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.251 -8.737 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.793 -7.131 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.811 -7.489 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.512 -6.009 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.148 -6.895 0.320 1.00 0.00 H new ATOM 110 N LYS A 9 13.207 -5.362 -3.499 1.00 0.00 N ATOM 111 CA LYS A 9 13.906 -4.690 -4.581 1.00 0.00 C ATOM 112 C LYS A 9 14.755 -3.555 -4.005 1.00 0.00 C ATOM 113 O LYS A 9 14.228 -2.511 -3.625 1.00 0.00 O ATOM 114 CB LYS A 9 12.918 -4.234 -5.656 1.00 0.00 C ATOM 115 CG LYS A 9 12.765 -5.296 -6.746 1.00 0.00 C ATOM 116 CD LYS A 9 11.303 -5.724 -6.895 1.00 0.00 C ATOM 117 CE LYS A 9 10.962 -6.012 -8.358 1.00 0.00 C ATOM 118 NZ LYS A 9 9.681 -6.747 -8.455 1.00 0.00 N ATOM 0 H LYS A 9 13.104 -4.808 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 9 14.588 -5.378 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.948 -4.032 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.263 -3.300 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.131 -4.904 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.378 -6.163 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.118 -6.614 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.650 -4.939 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.895 -5.076 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.760 -6.597 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.463 -6.935 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.758 -7.648 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.920 -6.175 -8.037 1.00 0.00 H new ATOM 127 N GLU A 10 16.057 -3.797 -3.960 1.00 0.00 N ATOM 128 CA GLU A 10 16.985 -2.808 -3.437 1.00 0.00 C ATOM 129 C GLU A 10 16.724 -2.571 -1.949 1.00 0.00 C ATOM 130 O GLU A 10 17.636 -2.214 -1.204 1.00 0.00 O ATOM 131 CB GLU A 10 16.894 -1.501 -4.226 1.00 0.00 C ATOM 132 CG GLU A 10 17.531 -0.347 -3.449 1.00 0.00 C ATOM 133 CD GLU A 10 18.290 0.594 -4.388 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.802 1.692 -4.691 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.425 0.148 -4.805 1.00 0.00 O ATOM 0 H GLU A 10 16.491 -4.664 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 10 17.999 -3.192 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.394 -1.617 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.850 -1.270 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.758 0.209 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.213 -0.743 -2.696 1.00 0.00 H new ATOM 141 N SER A 11 15.475 -2.779 -1.559 1.00 0.00 N ATOM 142 CA SER A 11 15.084 -2.592 -0.172 1.00 0.00 C ATOM 143 C SER A 11 13.574 -2.358 -0.082 1.00 0.00 C ATOM 144 O SER A 11 13.027 -2.219 1.012 1.00 0.00 O ATOM 145 CB SER A 11 15.840 -1.423 0.462 1.00 0.00 C ATOM 146 OG SER A 11 16.462 -0.596 -0.518 1.00 0.00 O ATOM 0 H SER A 11 14.721 -3.075 -2.179 1.00 0.00 H new ATOM 0 HA SER A 11 15.340 -3.496 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.150 -0.824 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.597 -1.808 1.145 1.00 0.00 H new ATOM 0 HG SER A 11 17.378 -0.907 -0.675 1.00 0.00 H new ATOM 151 N VAL A 12 12.943 -2.323 -1.246 1.00 0.00 N ATOM 152 CA VAL A 12 11.507 -2.109 -1.312 1.00 0.00 C ATOM 153 C VAL A 12 10.790 -3.459 -1.244 1.00 0.00 C ATOM 154 O VAL A 12 11.010 -4.326 -2.089 1.00 0.00 O ATOM 155 CB VAL A 12 11.155 -1.308 -2.568 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.266 -2.178 -3.822 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.760 -0.690 -2.451 1.00 0.00 C ATOM 0 H VAL A 12 13.399 -2.439 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 12 11.169 -1.519 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 12 11.875 -0.495 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.011 -1.585 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.287 -2.549 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.580 -3.021 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.535 -0.126 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.021 -1.481 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.729 -0.022 -1.590 1.00 0.00 H new ATOM 167 N LEU A 13 9.949 -3.595 -0.230 1.00 0.00 N ATOM 168 CA LEU A 13 9.199 -4.825 -0.040 1.00 0.00 C ATOM 169 C LEU A 13 7.848 -4.708 -0.748 1.00 0.00 C ATOM 170 O LEU A 13 6.911 -4.117 -0.212 1.00 0.00 O ATOM 171 CB LEU A 13 9.086 -5.160 1.449 1.00 0.00 C ATOM 172 CG LEU A 13 9.016 -3.963 2.401 1.00 0.00 C ATOM 173 CD1 LEU A 13 10.403 -3.355 2.620 1.00 0.00 C ATOM 174 CD2 LEU A 13 8.006 -2.927 1.907 1.00 0.00 C ATOM 0 H LEU A 13 9.770 -2.874 0.469 1.00 0.00 H new ATOM 0 HA LEU A 13 9.725 -5.665 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.195 -5.770 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.943 -5.773 1.730 1.00 0.00 H new ATOM 0 HG LEU A 13 8.664 -4.317 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.325 -2.507 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.065 -4.106 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.808 -3.019 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.976 -2.088 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.303 -2.571 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.018 -3.383 1.846 1.00 0.00 H new ATOM 185 N CYS A 14 7.790 -5.280 -1.942 1.00 0.00 N ATOM 186 CA CYS A 14 6.569 -5.246 -2.729 1.00 0.00 C ATOM 187 C CYS A 14 5.542 -6.166 -2.062 1.00 0.00 C ATOM 188 O CYS A 14 5.901 -7.208 -1.515 1.00 0.00 O ATOM 189 CB CYS A 14 6.824 -5.638 -4.186 1.00 0.00 C ATOM 190 SG CYS A 14 8.531 -5.184 -4.666 1.00 0.00 S ATOM 0 H CYS A 14 8.569 -5.769 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 14 6.180 -4.228 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.674 -6.710 -4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.108 -5.136 -4.837 1.00 0.00 H new ATOM 0 HG CYS A 14 8.530 -4.711 -5.877 1.00 0.00 H new ATOM 195 N ILE A 15 4.288 -5.748 -2.131 1.00 0.00 N ATOM 196 CA ILE A 15 3.207 -6.521 -1.541 1.00 0.00 C ATOM 197 C ILE A 15 2.030 -6.570 -2.517 1.00 0.00 C ATOM 198 O ILE A 15 1.298 -5.592 -2.663 1.00 0.00 O ATOM 199 CB ILE A 15 2.841 -5.966 -0.164 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.569 -6.728 0.945 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.325 -5.963 0.041 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.065 -6.410 0.939 1.00 0.00 C ATOM 0 H ILE A 15 3.995 -4.884 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 15 3.523 -7.550 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 15 3.174 -4.929 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.142 -6.465 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.421 -7.800 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.092 -5.564 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.856 -5.342 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.945 -6.982 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.558 -6.965 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.494 -6.697 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.210 -5.341 1.097 1.00 0.00 H new ATOM 213 N ARG A 16 1.885 -7.719 -3.161 1.00 0.00 N ATOM 214 CA ARG A 16 0.808 -7.909 -4.119 1.00 0.00 C ATOM 215 C ARG A 16 -0.351 -8.670 -3.471 1.00 0.00 C ATOM 216 O ARG A 16 -0.338 -9.897 -3.416 1.00 0.00 O ATOM 217 CB ARG A 16 1.294 -8.682 -5.348 1.00 0.00 C ATOM 218 CG ARG A 16 1.095 -7.864 -6.624 1.00 0.00 C ATOM 219 CD ARG A 16 2.377 -7.823 -7.456 1.00 0.00 C ATOM 220 NE ARG A 16 2.081 -7.338 -8.821 1.00 0.00 N ATOM 221 CZ ARG A 16 3.025 -7.030 -9.737 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.335 -7.156 -9.439 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.646 -6.605 -10.928 1.00 0.00 N ATOM 0 H ARG A 16 2.495 -8.527 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 16 0.468 -6.923 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.349 -8.930 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.751 -9.624 -5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.288 -8.297 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.793 -6.849 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.108 -7.170 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.821 -8.817 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 16 1.103 -7.229 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.619 -7.486 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.042 -6.921 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.654 -6.514 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.346 -6.368 -11.631 1.00 0.00 H new ATOM 233 N LEU A 17 -1.325 -7.907 -2.998 1.00 0.00 N ATOM 234 CA LEU A 17 -2.490 -8.493 -2.357 1.00 0.00 C ATOM 235 C LEU A 17 -3.590 -8.703 -3.400 1.00 0.00 C ATOM 236 O LEU A 17 -3.892 -7.799 -4.177 1.00 0.00 O ATOM 237 CB LEU A 17 -2.928 -7.644 -1.162 1.00 0.00 C ATOM 238 CG LEU A 17 -2.573 -8.196 0.220 1.00 0.00 C ATOM 239 CD1 LEU A 17 -1.492 -7.345 0.889 1.00 0.00 C ATOM 240 CD2 LEU A 17 -3.822 -8.328 1.095 1.00 0.00 C ATOM 0 H LEU A 17 -1.332 -6.888 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.247 -9.474 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.482 -6.655 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.009 -7.512 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.162 -9.197 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.258 -7.759 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.594 -7.346 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.853 -6.323 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.542 -8.722 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.285 -7.349 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.530 -9.007 0.619 1.00 0.00 H new ATOM 251 N THR A 18 -4.158 -9.899 -3.382 1.00 0.00 N ATOM 252 CA THR A 18 -5.217 -10.239 -4.316 1.00 0.00 C ATOM 253 C THR A 18 -6.417 -10.829 -3.571 1.00 0.00 C ATOM 254 O THR A 18 -6.312 -11.893 -2.962 1.00 0.00 O ATOM 255 CB THR A 18 -4.635 -11.181 -5.371 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.614 -11.893 -4.676 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.881 -10.432 -6.473 1.00 0.00 C ATOM 0 H THR A 18 -3.905 -10.645 -2.735 1.00 0.00 H new ATOM 0 HA THR A 18 -5.594 -9.352 -4.825 1.00 0.00 H new ATOM 0 HB THR A 18 -5.439 -11.769 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.185 -12.528 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.488 -11.147 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.561 -9.744 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.057 -9.871 -6.033 1.00 0.00 H new ATOM 265 N GLY A 19 -7.529 -10.112 -3.642 1.00 0.00 N ATOM 266 CA GLY A 19 -8.746 -10.551 -2.982 1.00 0.00 C ATOM 267 C GLY A 19 -9.653 -9.363 -2.657 1.00 0.00 C ATOM 268 O GLY A 19 -10.071 -8.632 -3.554 1.00 0.00 O ATOM 0 H GLY A 19 -7.612 -9.230 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.278 -11.254 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.495 -11.083 -2.064 1.00 0.00 H new ATOM 272 N GLU A 20 -9.931 -9.205 -1.371 1.00 0.00 N ATOM 273 CA GLU A 20 -10.781 -8.119 -0.916 1.00 0.00 C ATOM 274 C GLU A 20 -10.032 -7.248 0.096 1.00 0.00 C ATOM 275 O GLU A 20 -9.042 -7.683 0.681 1.00 0.00 O ATOM 276 CB GLU A 20 -12.085 -8.653 -0.320 1.00 0.00 C ATOM 277 CG GLU A 20 -13.257 -8.426 -1.277 1.00 0.00 C ATOM 278 CD GLU A 20 -13.678 -9.733 -1.950 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.929 -10.721 -1.910 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.830 -9.703 -2.529 1.00 0.00 O ATOM 0 H GLU A 20 -9.582 -9.812 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.040 -7.503 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.984 -9.718 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.285 -8.157 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.101 -8.006 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.975 -7.697 -2.036 1.00 0.00 H new ATOM 286 N LEU A 21 -10.536 -6.034 0.271 1.00 0.00 N ATOM 287 CA LEU A 21 -9.927 -5.100 1.202 1.00 0.00 C ATOM 288 C LEU A 21 -10.945 -4.726 2.282 1.00 0.00 C ATOM 289 O LEU A 21 -11.598 -3.689 2.191 1.00 0.00 O ATOM 290 CB LEU A 21 -9.354 -3.895 0.454 1.00 0.00 C ATOM 291 CG LEU A 21 -7.858 -3.950 0.139 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.068 -4.511 1.322 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.598 -4.736 -1.148 1.00 0.00 C ATOM 0 H LEU A 21 -11.358 -5.677 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.080 -5.564 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.898 -3.782 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.548 -3.000 1.045 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.507 -2.932 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.008 -4.539 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.218 -3.875 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.415 -5.520 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.527 -4.760 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.969 -5.755 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.113 -4.254 -1.979 1.00 0.00 H new ATOM 304 N ASP A 22 -11.048 -5.594 3.278 1.00 0.00 N ATOM 305 CA ASP A 22 -11.975 -5.368 4.374 1.00 0.00 C ATOM 306 C ASP A 22 -11.258 -5.613 5.702 1.00 0.00 C ATOM 307 O ASP A 22 -10.166 -6.179 5.727 1.00 0.00 O ATOM 308 CB ASP A 22 -13.164 -6.328 4.295 1.00 0.00 C ATOM 309 CG ASP A 22 -13.670 -6.616 2.880 1.00 0.00 C ATOM 310 OD1 ASP A 22 -14.857 -6.912 2.674 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.777 -6.528 1.953 1.00 0.00 O ATOM 0 H ASP A 22 -10.505 -6.455 3.349 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.334 -4.341 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.882 -7.271 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.985 -5.915 4.881 1.00 0.00 H new ATOM 316 N HIS A 23 -11.901 -5.175 6.775 1.00 0.00 N ATOM 317 CA HIS A 23 -11.337 -5.340 8.104 1.00 0.00 C ATOM 318 C HIS A 23 -10.775 -6.754 8.252 1.00 0.00 C ATOM 319 O HIS A 23 -9.895 -6.994 9.077 1.00 0.00 O ATOM 320 CB HIS A 23 -12.372 -4.997 9.179 1.00 0.00 C ATOM 321 CG HIS A 23 -13.177 -6.183 9.655 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.866 -6.889 10.803 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.285 -6.778 9.125 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.753 -7.863 10.948 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.631 -7.793 9.907 1.00 0.00 N ATOM 0 H HIS A 23 -12.807 -4.706 6.751 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.510 -4.643 8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.861 -4.551 10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.053 -4.242 8.786 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.794 -6.474 8.222 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.776 -8.586 11.750 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.423 -8.418 9.755 1.00 0.00 H new ATOM 332 N HIS A 24 -11.305 -7.656 7.438 1.00 0.00 N ATOM 333 CA HIS A 24 -10.867 -9.041 7.468 1.00 0.00 C ATOM 334 C HIS A 24 -9.549 -9.178 6.704 1.00 0.00 C ATOM 335 O HIS A 24 -8.580 -9.730 7.224 1.00 0.00 O ATOM 336 CB HIS A 24 -11.961 -9.968 6.935 1.00 0.00 C ATOM 337 CG HIS A 24 -13.087 -10.213 7.910 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.085 -11.265 8.810 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.251 -9.532 8.118 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.200 -11.211 9.521 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.922 -10.136 9.090 1.00 0.00 N ATOM 0 H HIS A 24 -12.034 -7.454 6.754 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.683 -9.347 8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.372 -9.540 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.513 -10.924 6.665 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.349 -11.964 8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.572 -8.651 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.488 -11.897 10.304 1.00 0.00 H new ATOM 348 N THR A 25 -9.554 -8.665 5.482 1.00 0.00 N ATOM 349 CA THR A 25 -8.370 -8.725 4.640 1.00 0.00 C ATOM 350 C THR A 25 -7.390 -7.614 5.022 1.00 0.00 C ATOM 351 O THR A 25 -6.181 -7.763 4.850 1.00 0.00 O ATOM 352 CB THR A 25 -8.825 -8.660 3.181 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.946 -7.265 2.916 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.242 -9.201 2.984 1.00 0.00 C ATOM 0 H THR A 25 -10.359 -8.206 5.055 1.00 0.00 H new ATOM 0 HA THR A 25 -7.827 -9.659 4.784 1.00 0.00 H new ATOM 0 HB THR A 25 -8.131 -9.226 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.575 -7.067 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.515 -9.132 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.281 -10.243 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.942 -8.614 3.579 1.00 0.00 H new ATOM 362 N ALA A 26 -7.947 -6.525 5.533 1.00 0.00 N ATOM 363 CA ALA A 26 -7.136 -5.391 5.940 1.00 0.00 C ATOM 364 C ALA A 26 -6.288 -5.783 7.150 1.00 0.00 C ATOM 365 O ALA A 26 -5.204 -5.240 7.355 1.00 0.00 O ATOM 366 CB ALA A 26 -8.043 -4.193 6.228 1.00 0.00 C ATOM 0 H ALA A 26 -8.950 -6.405 5.674 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.454 -5.100 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.435 -3.341 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.602 -3.935 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.739 -4.447 7.027 1.00 0.00 H new ATOM 372 N GLU A 27 -6.813 -6.724 7.920 1.00 0.00 N ATOM 373 CA GLU A 27 -6.117 -7.197 9.105 1.00 0.00 C ATOM 374 C GLU A 27 -4.707 -7.666 8.742 1.00 0.00 C ATOM 375 O GLU A 27 -3.733 -7.273 9.381 1.00 0.00 O ATOM 376 CB GLU A 27 -6.905 -8.312 9.796 1.00 0.00 C ATOM 377 CG GLU A 27 -7.224 -7.940 11.246 1.00 0.00 C ATOM 378 CD GLU A 27 -8.705 -7.597 11.411 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.572 -8.431 11.111 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.944 -6.416 11.871 1.00 0.00 O ATOM 0 H GLU A 27 -7.713 -7.172 7.747 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.033 -6.368 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.831 -8.498 9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.330 -9.237 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.964 -8.769 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.614 -7.089 11.549 1.00 0.00 H new ATOM 386 N THR A 28 -4.643 -8.501 7.715 1.00 0.00 N ATOM 387 CA THR A 28 -3.368 -9.030 7.257 1.00 0.00 C ATOM 388 C THR A 28 -2.333 -7.908 7.155 1.00 0.00 C ATOM 389 O THR A 28 -1.185 -8.080 7.559 1.00 0.00 O ATOM 390 CB THR A 28 -3.607 -9.760 5.935 1.00 0.00 C ATOM 391 OG1 THR A 28 -3.557 -11.140 6.286 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.448 -9.584 4.952 1.00 0.00 C ATOM 0 H THR A 28 -5.453 -8.825 7.187 1.00 0.00 H new ATOM 0 HA THR A 28 -2.956 -9.746 7.969 1.00 0.00 H new ATOM 0 HB THR A 28 -4.528 -9.395 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.704 -11.687 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.668 -10.122 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.316 -8.525 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.533 -9.980 5.393 1.00 0.00 H new ATOM 400 N LEU A 29 -2.777 -6.784 6.611 1.00 0.00 N ATOM 401 CA LEU A 29 -1.903 -5.635 6.451 1.00 0.00 C ATOM 402 C LEU A 29 -1.630 -5.011 7.821 1.00 0.00 C ATOM 403 O LEU A 29 -0.567 -4.434 8.043 1.00 0.00 O ATOM 404 CB LEU A 29 -2.491 -4.653 5.434 1.00 0.00 C ATOM 405 CG LEU A 29 -1.491 -3.993 4.484 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.120 -3.844 5.147 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.407 -4.756 3.160 1.00 0.00 C ATOM 0 H LEU A 29 -3.730 -6.645 6.276 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.940 -5.943 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.235 -5.181 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.017 -3.869 5.978 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.849 -2.989 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.572 -3.372 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.213 -3.226 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.259 -4.828 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.689 -4.266 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.085 -5.780 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.387 -4.766 2.683 1.00 0.00 H new ATOM 418 N LYS A 30 -2.608 -5.149 8.703 1.00 0.00 N ATOM 419 CA LYS A 30 -2.486 -4.606 10.046 1.00 0.00 C ATOM 420 C LYS A 30 -1.214 -5.151 10.698 1.00 0.00 C ATOM 421 O LYS A 30 -0.462 -4.403 11.319 1.00 0.00 O ATOM 422 CB LYS A 30 -3.757 -4.881 10.852 1.00 0.00 C ATOM 423 CG LYS A 30 -4.121 -3.681 11.729 1.00 0.00 C ATOM 424 CD LYS A 30 -4.235 -4.091 13.198 1.00 0.00 C ATOM 425 CE LYS A 30 -2.966 -3.723 13.971 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.643 -4.770 14.965 1.00 0.00 N ATOM 0 H LYS A 30 -3.488 -5.629 8.515 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.387 -3.521 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.581 -5.103 10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.612 -5.762 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.363 -2.905 11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.065 -3.253 11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.096 -3.599 13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.408 -5.165 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.133 -3.602 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.104 -2.766 14.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.780 -4.505 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.431 -4.866 15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.491 -5.676 14.478 1.00 0.00 H new ATOM 435 N GLN A 31 -1.014 -6.450 10.534 1.00 0.00 N ATOM 436 CA GLN A 31 0.155 -7.104 11.100 1.00 0.00 C ATOM 437 C GLN A 31 1.404 -6.754 10.288 1.00 0.00 C ATOM 438 O GLN A 31 2.493 -6.626 10.843 1.00 0.00 O ATOM 439 CB GLN A 31 -0.046 -8.619 11.171 1.00 0.00 C ATOM 440 CG GLN A 31 0.378 -9.291 9.864 1.00 0.00 C ATOM 441 CD GLN A 31 -0.338 -10.631 9.678 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.273 -11.666 9.469 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.662 -10.553 9.766 1.00 0.00 N ATOM 0 H GLN A 31 -1.641 -7.068 10.018 1.00 0.00 H new ATOM 0 HA GLN A 31 0.294 -6.741 12.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.534 -9.028 11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.093 -8.841 11.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.152 -8.634 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.457 -9.448 9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.109 -9.654 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.231 -11.393 9.657 1.00 0.00 H new ATOM 450 N LYS A 32 1.203 -6.611 8.986 1.00 0.00 N ATOM 451 CA LYS A 32 2.299 -6.278 8.092 1.00 0.00 C ATOM 452 C LYS A 32 2.750 -4.840 8.357 1.00 0.00 C ATOM 453 O LYS A 32 3.765 -4.395 7.824 1.00 0.00 O ATOM 454 CB LYS A 32 1.903 -6.540 6.638 1.00 0.00 C ATOM 455 CG LYS A 32 3.048 -6.188 5.686 1.00 0.00 C ATOM 456 CD LYS A 32 2.882 -4.774 5.127 1.00 0.00 C ATOM 457 CE LYS A 32 2.357 -4.810 3.690 1.00 0.00 C ATOM 458 NZ LYS A 32 1.526 -6.016 3.473 1.00 0.00 N ATOM 0 H LYS A 32 0.298 -6.720 8.529 1.00 0.00 H new ATOM 0 HA LYS A 32 3.157 -6.922 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.632 -7.588 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.021 -5.951 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.000 -6.265 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.078 -6.906 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.193 -4.209 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.839 -4.253 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.769 -3.915 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.193 -4.806 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.926 -5.878 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.143 -6.841 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.925 -6.178 4.306 1.00 0.00 H new ATOM 467 N VAL A 33 1.973 -4.153 9.182 1.00 0.00 N ATOM 468 CA VAL A 33 2.279 -2.774 9.524 1.00 0.00 C ATOM 469 C VAL A 33 3.294 -2.751 10.669 1.00 0.00 C ATOM 470 O VAL A 33 4.315 -2.071 10.584 1.00 0.00 O ATOM 471 CB VAL A 33 0.991 -2.018 9.853 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.296 -0.601 10.343 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.049 -1.991 8.648 1.00 0.00 C ATOM 0 H VAL A 33 1.132 -4.526 9.623 1.00 0.00 H new ATOM 0 HA VAL A 33 2.733 -2.262 8.676 1.00 0.00 H new ATOM 0 HB VAL A 33 0.487 -2.550 10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.363 -0.086 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.911 -0.651 11.242 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.832 -0.055 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.859 -1.448 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.542 -1.495 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.208 -3.012 8.364 1.00 0.00 H new ATOM 483 N THR A 34 2.979 -3.504 11.713 1.00 0.00 N ATOM 484 CA THR A 34 3.850 -3.579 12.872 1.00 0.00 C ATOM 485 C THR A 34 5.254 -4.025 12.458 1.00 0.00 C ATOM 486 O THR A 34 6.248 -3.496 12.952 1.00 0.00 O ATOM 487 CB THR A 34 3.196 -4.508 13.898 1.00 0.00 C ATOM 488 OG1 THR A 34 4.264 -4.871 14.769 1.00 0.00 O ATOM 489 CG2 THR A 34 2.751 -5.836 13.282 1.00 0.00 C ATOM 0 H THR A 34 2.132 -4.068 11.780 1.00 0.00 H new ATOM 0 HA THR A 34 3.977 -2.600 13.333 1.00 0.00 H new ATOM 0 HB THR A 34 2.337 -4.008 14.346 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.928 -5.472 15.466 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.294 -6.459 14.051 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.026 -5.645 12.491 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.616 -6.352 12.865 1.00 0.00 H new ATOM 497 N GLN A 35 5.289 -4.992 11.554 1.00 0.00 N ATOM 498 CA GLN A 35 6.554 -5.515 11.066 1.00 0.00 C ATOM 499 C GLN A 35 7.375 -4.399 10.416 1.00 0.00 C ATOM 500 O GLN A 35 8.583 -4.309 10.627 1.00 0.00 O ATOM 501 CB GLN A 35 6.330 -6.671 10.090 1.00 0.00 C ATOM 502 CG GLN A 35 5.663 -6.180 8.803 1.00 0.00 C ATOM 503 CD GLN A 35 6.703 -5.661 7.808 1.00 0.00 C ATOM 504 OE1 GLN A 35 7.890 -5.920 7.921 1.00 0.00 O ATOM 505 NE2 GLN A 35 6.194 -4.916 6.832 1.00 0.00 N ATOM 0 H GLN A 35 4.462 -5.428 11.146 1.00 0.00 H new ATOM 0 HA GLN A 35 7.115 -5.904 11.915 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.284 -7.142 9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.707 -7.432 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.096 -6.993 8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.952 -5.388 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.190 -4.738 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.807 -4.522 6.118 1.00 0.00 H new ATOM 512 N SER A 36 6.685 -3.577 9.639 1.00 0.00 N ATOM 513 CA SER A 36 7.335 -2.471 8.957 1.00 0.00 C ATOM 514 C SER A 36 7.585 -1.325 9.939 1.00 0.00 C ATOM 515 O SER A 36 8.481 -0.508 9.730 1.00 0.00 O ATOM 516 CB SER A 36 6.494 -1.983 7.775 1.00 0.00 C ATOM 517 OG SER A 36 7.295 -1.702 6.630 1.00 0.00 O ATOM 0 H SER A 36 5.683 -3.655 9.467 1.00 0.00 H new ATOM 0 HA SER A 36 8.291 -2.823 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.752 -2.740 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.948 -1.085 8.065 1.00 0.00 H new ATOM 0 HG SER A 36 6.722 -1.395 5.897 1.00 0.00 H new ATOM 522 N LEU A 37 6.778 -1.301 10.989 1.00 0.00 N ATOM 523 CA LEU A 37 6.901 -0.269 12.004 1.00 0.00 C ATOM 524 C LEU A 37 8.357 -0.188 12.468 1.00 0.00 C ATOM 525 O LEU A 37 8.846 0.891 12.800 1.00 0.00 O ATOM 526 CB LEU A 37 5.906 -0.515 13.140 1.00 0.00 C ATOM 527 CG LEU A 37 4.850 0.572 13.354 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.472 1.967 13.263 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.683 0.401 12.379 1.00 0.00 C ATOM 0 H LEU A 37 6.036 -1.980 11.159 1.00 0.00 H new ATOM 0 HA LEU A 37 6.643 0.706 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.394 -1.459 12.950 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.466 -0.637 14.067 1.00 0.00 H new ATOM 0 HG LEU A 37 4.448 0.464 14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.700 2.720 13.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.242 2.073 14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.918 2.103 12.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.947 1.186 12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.051 0.468 11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.219 -0.573 12.534 1.00 0.00 H new ATOM 540 N GLU A 38 9.008 -1.342 12.476 1.00 0.00 N ATOM 541 CA GLU A 38 10.398 -1.413 12.893 1.00 0.00 C ATOM 542 C GLU A 38 11.023 -2.731 12.431 1.00 0.00 C ATOM 543 O GLU A 38 11.268 -3.624 13.241 1.00 0.00 O ATOM 544 CB GLU A 38 10.524 -1.249 14.409 1.00 0.00 C ATOM 545 CG GLU A 38 10.692 0.224 14.789 1.00 0.00 C ATOM 546 CD GLU A 38 9.393 0.795 15.363 1.00 0.00 C ATOM 547 OE1 GLU A 38 8.311 0.236 15.122 1.00 0.00 O ATOM 548 OE2 GLU A 38 9.534 1.855 16.083 1.00 0.00 O ATOM 0 H GLU A 38 8.599 -2.235 12.201 1.00 0.00 H new ATOM 0 HA GLU A 38 10.941 -0.592 12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.638 -1.656 14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.378 -1.821 14.771 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.493 0.325 15.522 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.989 0.798 13.911 1.00 0.00 H new ATOM 554 N LYS A 39 11.264 -2.811 11.131 1.00 0.00 N ATOM 555 CA LYS A 39 11.856 -4.004 10.551 1.00 0.00 C ATOM 556 C LYS A 39 13.329 -4.085 10.955 1.00 0.00 C ATOM 557 O LYS A 39 13.808 -5.142 11.363 1.00 0.00 O ATOM 558 CB LYS A 39 11.631 -4.033 9.038 1.00 0.00 C ATOM 559 CG LYS A 39 12.041 -5.384 8.449 1.00 0.00 C ATOM 560 CD LYS A 39 11.001 -6.460 8.767 1.00 0.00 C ATOM 561 CE LYS A 39 11.493 -7.386 9.882 1.00 0.00 C ATOM 562 NZ LYS A 39 11.301 -8.803 9.499 1.00 0.00 N ATOM 0 H LYS A 39 11.060 -2.068 10.462 1.00 0.00 H new ATOM 0 HA LYS A 39 11.369 -4.898 10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.581 -3.840 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.206 -3.237 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.157 -5.294 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.010 -5.680 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.065 -5.989 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.791 -7.044 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.548 -7.196 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.951 -7.175 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.640 -9.419 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.291 -8.983 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.838 -9.004 8.631 1.00 0.00 H new ATOM 571 N ASP A 40 14.008 -2.954 10.828 1.00 0.00 N ATOM 572 CA ASP A 40 15.417 -2.884 11.175 1.00 0.00 C ATOM 573 C ASP A 40 16.029 -1.626 10.556 1.00 0.00 C ATOM 574 O ASP A 40 16.053 -0.569 11.185 1.00 0.00 O ATOM 575 CB ASP A 40 16.179 -4.095 10.634 1.00 0.00 C ATOM 576 CG ASP A 40 16.348 -5.248 11.625 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.542 -5.031 12.831 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.272 -6.428 11.108 1.00 0.00 O ATOM 0 H ASP A 40 13.608 -2.079 10.490 1.00 0.00 H new ATOM 0 HA ASP A 40 15.495 -2.865 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.659 -4.468 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.166 -3.768 10.308 1.00 0.00 H new ATOM 583 N ASP A 41 16.506 -1.781 9.330 1.00 0.00 N ATOM 584 CA ASP A 41 17.115 -0.670 8.618 1.00 0.00 C ATOM 585 C ASP A 41 16.017 0.256 8.091 1.00 0.00 C ATOM 586 O ASP A 41 15.065 0.566 8.805 1.00 0.00 O ATOM 587 CB ASP A 41 17.932 -1.164 7.422 1.00 0.00 C ATOM 588 CG ASP A 41 19.000 -0.189 6.921 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.419 -0.245 5.756 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.409 0.668 7.795 1.00 0.00 O ATOM 0 H ASP A 41 16.483 -2.659 8.811 1.00 0.00 H new ATOM 0 HA ASP A 41 17.772 -0.145 9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.417 -2.101 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.250 -1.385 6.601 1.00 0.00 H new ATOM 595 N ILE A 42 16.187 0.672 6.844 1.00 0.00 N ATOM 596 CA ILE A 42 15.222 1.555 6.212 1.00 0.00 C ATOM 597 C ILE A 42 14.950 1.071 4.786 1.00 0.00 C ATOM 598 O ILE A 42 15.550 1.566 3.834 1.00 0.00 O ATOM 599 CB ILE A 42 15.697 3.008 6.288 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.241 3.667 7.591 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.244 3.798 5.058 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.761 3.388 7.857 1.00 0.00 C ATOM 0 H ILE A 42 16.979 0.414 6.255 1.00 0.00 H new ATOM 0 HA ILE A 42 14.272 1.525 6.745 1.00 0.00 H new ATOM 0 HB ILE A 42 16.787 3.011 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.840 3.293 8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.408 4.743 7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.595 4.827 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.659 3.341 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.156 3.789 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.462 3.868 8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.163 3.785 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.602 2.313 7.935 1.00 0.00 H new ATOM 613 N ARG A 43 14.044 0.110 4.685 1.00 0.00 N ATOM 614 CA ARG A 43 13.685 -0.447 3.392 1.00 0.00 C ATOM 615 C ARG A 43 12.671 0.457 2.688 1.00 0.00 C ATOM 616 O ARG A 43 12.477 1.605 3.084 1.00 0.00 O ATOM 617 CB ARG A 43 13.090 -1.850 3.542 1.00 0.00 C ATOM 618 CG ARG A 43 14.177 -2.920 3.430 1.00 0.00 C ATOM 619 CD ARG A 43 13.680 -4.125 2.630 1.00 0.00 C ATOM 620 NE ARG A 43 13.677 -5.334 3.484 1.00 0.00 N ATOM 621 CZ ARG A 43 14.793 -5.936 3.946 1.00 0.00 C ATOM 622 NH1 ARG A 43 16.013 -5.446 3.640 1.00 0.00 N ATOM 623 NH2 ARG A 43 14.674 -7.012 4.703 1.00 0.00 N ATOM 0 H ARG A 43 13.548 -0.297 5.478 1.00 0.00 H new ATOM 0 HA ARG A 43 14.595 -0.513 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.588 -1.935 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.334 -2.013 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.059 -2.498 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.481 -3.241 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.675 -3.933 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.320 -4.285 1.762 1.00 0.00 H new ATOM 0 HE ARG A 43 12.775 -5.737 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.097 -4.614 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.851 -5.907 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.749 -7.376 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.508 -7.479 5.060 1.00 0.00 H new ATOM 633 N HIS A 44 12.050 -0.095 1.655 1.00 0.00 N ATOM 634 CA HIS A 44 11.062 0.647 0.892 1.00 0.00 C ATOM 635 C HIS A 44 9.774 -0.173 0.786 1.00 0.00 C ATOM 636 O HIS A 44 9.787 -1.384 0.999 1.00 0.00 O ATOM 637 CB HIS A 44 11.620 1.053 -0.473 1.00 0.00 C ATOM 638 CG HIS A 44 12.767 2.032 -0.401 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.743 3.156 0.407 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.971 2.045 -1.042 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.886 3.809 0.249 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.644 3.119 -0.649 1.00 0.00 N ATOM 0 H HIS A 44 12.213 -1.048 1.329 1.00 0.00 H new ATOM 0 HA HIS A 44 10.820 1.575 1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.952 0.158 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.818 1.492 -1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.318 1.306 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.167 4.726 0.745 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.576 3.385 -0.967 1.00 0.00 H new ATOM 649 N ILE A 45 8.694 0.520 0.457 1.00 0.00 N ATOM 650 CA ILE A 45 7.402 -0.128 0.321 1.00 0.00 C ATOM 651 C ILE A 45 7.016 -0.181 -1.159 1.00 0.00 C ATOM 652 O ILE A 45 7.497 0.621 -1.959 1.00 0.00 O ATOM 653 CB ILE A 45 6.359 0.563 1.203 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.331 2.070 0.940 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.593 0.242 2.680 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.690 2.379 -0.514 1.00 0.00 C ATOM 0 H ILE A 45 8.688 1.525 0.281 1.00 0.00 H new ATOM 0 HA ILE A 45 7.454 -1.157 0.675 1.00 0.00 H new ATOM 0 HB ILE A 45 5.376 0.173 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.340 2.464 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.032 2.572 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.839 0.745 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.523 -0.835 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.584 0.587 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.663 3.457 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.691 2.005 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.972 1.895 -1.177 1.00 0.00 H new ATOM 667 N VAL A 46 6.153 -1.133 -1.479 1.00 0.00 N ATOM 668 CA VAL A 46 5.697 -1.301 -2.849 1.00 0.00 C ATOM 669 C VAL A 46 4.353 -2.032 -2.849 1.00 0.00 C ATOM 670 O VAL A 46 4.303 -3.247 -3.036 1.00 0.00 O ATOM 671 CB VAL A 46 6.769 -2.020 -3.672 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.132 -2.921 -4.732 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.733 -1.019 -4.311 1.00 0.00 C ATOM 0 H VAL A 46 5.757 -1.797 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 46 5.539 -0.331 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 46 7.344 -2.652 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.915 -3.420 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.505 -3.668 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.522 -2.317 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.484 -1.556 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.179 -0.349 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.224 -0.437 -3.531 1.00 0.00 H new ATOM 683 N LEU A 47 3.297 -1.261 -2.638 1.00 0.00 N ATOM 684 CA LEU A 47 1.956 -1.819 -2.611 1.00 0.00 C ATOM 685 C LEU A 47 1.395 -1.857 -4.035 1.00 0.00 C ATOM 686 O LEU A 47 1.767 -1.039 -4.874 1.00 0.00 O ATOM 687 CB LEU A 47 1.075 -1.051 -1.624 1.00 0.00 C ATOM 688 CG LEU A 47 1.423 -1.219 -0.144 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.423 -2.696 0.256 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.751 -0.535 0.187 1.00 0.00 C ATOM 0 H LEU A 47 3.343 -0.254 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 47 1.979 -2.847 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.126 0.009 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.041 -1.363 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 47 0.651 -0.727 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.673 -2.787 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.435 -3.121 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.161 -3.234 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.976 -0.669 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.547 -0.977 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.678 0.529 -0.036 1.00 0.00 H new ATOM 701 N ASN A 48 0.510 -2.816 -4.262 1.00 0.00 N ATOM 702 CA ASN A 48 -0.105 -2.971 -5.570 1.00 0.00 C ATOM 703 C ASN A 48 -1.077 -4.153 -5.534 1.00 0.00 C ATOM 704 O ASN A 48 -0.655 -5.307 -5.485 1.00 0.00 O ATOM 705 CB ASN A 48 0.947 -3.258 -6.643 1.00 0.00 C ATOM 706 CG ASN A 48 1.641 -4.597 -6.388 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.917 -5.365 -7.293 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.908 -4.832 -5.106 1.00 0.00 N ATOM 0 H ASN A 48 0.204 -3.493 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.623 -2.043 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.475 -3.271 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.687 -2.458 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.371 -5.699 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.650 -4.146 -4.397 1.00 0.00 H new ATOM 714 N LEU A 49 -2.360 -3.823 -5.560 1.00 0.00 N ATOM 715 CA LEU A 49 -3.395 -4.842 -5.530 1.00 0.00 C ATOM 716 C LEU A 49 -3.904 -5.086 -6.953 1.00 0.00 C ATOM 717 O LEU A 49 -4.413 -4.171 -7.600 1.00 0.00 O ATOM 718 CB LEU A 49 -4.497 -4.459 -4.540 1.00 0.00 C ATOM 719 CG LEU A 49 -4.547 -5.273 -3.246 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.547 -4.355 -2.021 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.742 -6.229 -3.245 1.00 0.00 C ATOM 0 H LEU A 49 -2.706 -2.864 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.989 -5.787 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.375 -3.407 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.459 -4.554 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.646 -5.884 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.583 -4.959 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.640 -3.751 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.418 -3.701 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.754 -6.796 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.666 -5.657 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.659 -6.916 -4.087 1.00 0.00 H new ATOM 732 N GLU A 50 -3.750 -6.325 -7.398 1.00 0.00 N ATOM 733 CA GLU A 50 -4.188 -6.700 -8.731 1.00 0.00 C ATOM 734 C GLU A 50 -5.675 -7.059 -8.720 1.00 0.00 C ATOM 735 O GLU A 50 -6.335 -7.021 -9.759 1.00 0.00 O ATOM 736 CB GLU A 50 -3.349 -7.856 -9.279 1.00 0.00 C ATOM 737 CG GLU A 50 -2.707 -7.483 -10.616 1.00 0.00 C ATOM 738 CD GLU A 50 -1.431 -8.292 -10.858 1.00 0.00 C ATOM 739 OE1 GLU A 50 -0.816 -8.782 -9.898 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.085 -8.408 -12.094 1.00 0.00 O ATOM 0 H GLU A 50 -3.328 -7.081 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.046 -5.846 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.573 -8.119 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.978 -8.737 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.414 -7.663 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.474 -6.418 -10.627 1.00 0.00 H new ATOM 746 N ASP A 51 -6.160 -7.401 -7.535 1.00 0.00 N ATOM 747 CA ASP A 51 -7.557 -7.767 -7.375 1.00 0.00 C ATOM 748 C ASP A 51 -8.225 -6.798 -6.397 1.00 0.00 C ATOM 749 O ASP A 51 -8.632 -7.195 -5.306 1.00 0.00 O ATOM 750 CB ASP A 51 -7.694 -9.181 -6.808 1.00 0.00 C ATOM 751 CG ASP A 51 -9.131 -9.633 -6.537 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.462 -10.076 -5.428 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.937 -9.513 -7.537 1.00 0.00 O ATOM 0 H ASP A 51 -5.610 -7.432 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.031 -7.724 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.234 -9.882 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.129 -9.239 -5.878 1.00 0.00 H new ATOM 758 N LEU A 52 -8.316 -5.547 -6.823 1.00 0.00 N ATOM 759 CA LEU A 52 -8.928 -4.519 -5.998 1.00 0.00 C ATOM 760 C LEU A 52 -10.401 -4.371 -6.383 1.00 0.00 C ATOM 761 O LEU A 52 -10.720 -3.807 -7.428 1.00 0.00 O ATOM 762 CB LEU A 52 -8.134 -3.214 -6.093 1.00 0.00 C ATOM 763 CG LEU A 52 -8.169 -2.316 -4.854 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.553 -2.339 -4.200 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.063 -2.698 -3.868 1.00 0.00 C ATOM 0 H LEU A 52 -7.976 -5.222 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.901 -4.808 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.094 -3.459 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.511 -2.643 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.978 -1.290 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.551 -1.693 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.298 -1.982 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.797 -3.358 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.110 -2.044 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.198 -3.733 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.092 -2.589 -4.351 1.00 0.00 H new ATOM 776 N SER A 53 -11.260 -4.889 -5.518 1.00 0.00 N ATOM 777 CA SER A 53 -12.693 -4.823 -5.754 1.00 0.00 C ATOM 778 C SER A 53 -13.385 -4.128 -4.579 1.00 0.00 C ATOM 779 O SER A 53 -13.569 -2.912 -4.593 1.00 0.00 O ATOM 780 CB SER A 53 -13.281 -6.218 -5.966 1.00 0.00 C ATOM 781 OG SER A 53 -14.706 -6.205 -5.951 1.00 0.00 O ATOM 0 H SER A 53 -10.992 -5.357 -4.652 1.00 0.00 H new ATOM 0 HA SER A 53 -12.864 -4.245 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.932 -6.617 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.916 -6.887 -5.187 1.00 0.00 H new ATOM 0 HG SER A 53 -15.043 -7.114 -6.091 1.00 0.00 H new ATOM 786 N PHE A 54 -13.750 -4.931 -3.590 1.00 0.00 N ATOM 787 CA PHE A 54 -14.418 -4.409 -2.411 1.00 0.00 C ATOM 788 C PHE A 54 -13.707 -3.160 -1.885 1.00 0.00 C ATOM 789 O PHE A 54 -14.152 -2.040 -2.127 1.00 0.00 O ATOM 790 CB PHE A 54 -14.360 -5.503 -1.342 1.00 0.00 C ATOM 791 CG PHE A 54 -14.879 -5.062 0.028 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.208 -5.142 0.308 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.012 -4.593 0.965 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.690 -4.733 1.580 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.495 -4.185 2.237 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.824 -4.264 2.518 1.00 0.00 C ATOM 0 H PHE A 54 -13.595 -5.939 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.444 -4.134 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.942 -6.360 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.329 -5.840 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.896 -5.516 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.957 -4.531 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.745 -4.794 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.807 -3.812 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.191 -3.954 3.485 1.00 0.00 H new ATOM 805 N MET A 55 -12.612 -3.396 -1.176 1.00 0.00 N ATOM 806 CA MET A 55 -11.834 -2.305 -0.614 1.00 0.00 C ATOM 807 C MET A 55 -12.747 -1.183 -0.113 1.00 0.00 C ATOM 808 O MET A 55 -12.998 -0.215 -0.831 1.00 0.00 O ATOM 809 CB MET A 55 -10.884 -1.754 -1.678 1.00 0.00 C ATOM 810 CG MET A 55 -10.585 -0.274 -1.434 1.00 0.00 C ATOM 811 SD MET A 55 -11.247 0.711 -2.767 1.00 0.00 S ATOM 812 CE MET A 55 -12.559 -0.363 -3.325 1.00 0.00 C ATOM 0 H MET A 55 -12.245 -4.327 -0.978 1.00 0.00 H new ATOM 0 HA MET A 55 -11.263 -2.688 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.954 -2.323 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.326 -1.881 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.021 0.042 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.509 -0.120 -1.357 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.287 0.216 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.143 -1.146 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.049 -0.816 -2.463 1.00 0.00 H new ATOM 820 N ASP A 56 -13.218 -1.348 1.114 1.00 0.00 N ATOM 821 CA ASP A 56 -14.096 -0.362 1.717 1.00 0.00 C ATOM 822 C ASP A 56 -13.275 0.561 2.621 1.00 0.00 C ATOM 823 O ASP A 56 -12.092 0.786 2.372 1.00 0.00 O ATOM 824 CB ASP A 56 -15.170 -1.032 2.577 1.00 0.00 C ATOM 825 CG ASP A 56 -16.488 -0.262 2.685 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.922 0.395 1.728 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.083 -0.358 3.825 1.00 0.00 O ATOM 0 H ASP A 56 -13.007 -2.151 1.707 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.575 0.198 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.377 -2.021 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.770 -1.180 3.580 1.00 0.00 H new ATOM 832 N SER A 57 -13.936 1.069 3.650 1.00 0.00 N ATOM 833 CA SER A 57 -13.282 1.963 4.592 1.00 0.00 C ATOM 834 C SER A 57 -12.616 1.153 5.705 1.00 0.00 C ATOM 835 O SER A 57 -12.219 1.707 6.728 1.00 0.00 O ATOM 836 CB SER A 57 -14.277 2.962 5.184 1.00 0.00 C ATOM 837 OG SER A 57 -15.290 2.316 5.951 1.00 0.00 O ATOM 0 H SER A 57 -14.917 0.879 3.853 1.00 0.00 H new ATOM 0 HA SER A 57 -12.519 2.527 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.744 3.674 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.740 3.533 4.379 1.00 0.00 H new ATOM 0 HG SER A 57 -15.904 2.988 6.313 1.00 0.00 H new ATOM 842 N SER A 58 -12.514 -0.148 5.468 1.00 0.00 N ATOM 843 CA SER A 58 -11.903 -1.039 6.438 1.00 0.00 C ATOM 844 C SER A 58 -10.379 -0.990 6.307 1.00 0.00 C ATOM 845 O SER A 58 -9.682 -0.647 7.261 1.00 0.00 O ATOM 846 CB SER A 58 -12.405 -2.474 6.259 1.00 0.00 C ATOM 847 OG SER A 58 -13.480 -2.552 5.328 1.00 0.00 O ATOM 0 H SER A 58 -12.845 -0.605 4.618 1.00 0.00 H new ATOM 0 HA SER A 58 -12.186 -0.705 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.584 -3.105 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.731 -2.867 7.222 1.00 0.00 H new ATOM 0 HG SER A 58 -13.974 -3.386 5.468 1.00 0.00 H new ATOM 852 N GLY A 59 -9.908 -1.337 5.119 1.00 0.00 N ATOM 853 CA GLY A 59 -8.479 -1.337 4.851 1.00 0.00 C ATOM 854 C GLY A 59 -7.997 0.060 4.454 1.00 0.00 C ATOM 855 O GLY A 59 -6.800 0.341 4.495 1.00 0.00 O ATOM 0 H GLY A 59 -10.490 -1.620 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.939 -1.674 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.255 -2.044 4.052 1.00 0.00 H new ATOM 859 N LEU A 60 -8.952 0.897 4.078 1.00 0.00 N ATOM 860 CA LEU A 60 -8.640 2.257 3.674 1.00 0.00 C ATOM 861 C LEU A 60 -7.741 2.904 4.729 1.00 0.00 C ATOM 862 O LEU A 60 -6.753 3.554 4.393 1.00 0.00 O ATOM 863 CB LEU A 60 -9.924 3.041 3.394 1.00 0.00 C ATOM 864 CG LEU A 60 -9.869 4.020 2.219 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.213 5.338 2.634 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.174 3.388 1.011 1.00 0.00 C ATOM 0 H LEU A 60 -9.943 0.659 4.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.083 2.258 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.728 2.329 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.190 3.597 4.293 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.891 4.250 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.187 6.016 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.788 5.792 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.196 5.146 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.148 4.105 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.156 3.110 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.723 2.499 0.700 1.00 0.00 H new ATOM 877 N GLY A 61 -8.118 2.705 5.984 1.00 0.00 N ATOM 878 CA GLY A 61 -7.358 3.262 7.091 1.00 0.00 C ATOM 879 C GLY A 61 -6.124 2.410 7.392 1.00 0.00 C ATOM 880 O GLY A 61 -5.093 2.931 7.812 1.00 0.00 O ATOM 0 H GLY A 61 -8.939 2.166 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.052 4.280 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.989 3.320 7.978 1.00 0.00 H new ATOM 884 N VAL A 62 -6.270 1.112 7.165 1.00 0.00 N ATOM 885 CA VAL A 62 -5.180 0.182 7.406 1.00 0.00 C ATOM 886 C VAL A 62 -4.019 0.509 6.464 1.00 0.00 C ATOM 887 O VAL A 62 -2.868 0.192 6.759 1.00 0.00 O ATOM 888 CB VAL A 62 -5.678 -1.257 7.265 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.244 -1.859 5.928 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.202 -2.119 8.436 1.00 0.00 C ATOM 0 H VAL A 62 -7.127 0.683 6.817 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.810 0.284 8.426 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.768 -1.238 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.611 -2.883 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.655 -1.266 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.156 -1.858 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.570 -3.137 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.112 -2.127 8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.584 -1.707 9.370 1.00 0.00 H new ATOM 900 N ILE A 63 -4.362 1.138 5.350 1.00 0.00 N ATOM 901 CA ILE A 63 -3.363 1.510 4.362 1.00 0.00 C ATOM 902 C ILE A 63 -2.791 2.884 4.715 1.00 0.00 C ATOM 903 O ILE A 63 -1.608 3.142 4.500 1.00 0.00 O ATOM 904 CB ILE A 63 -3.949 1.432 2.952 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.730 0.045 2.343 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.388 2.543 2.063 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.044 -0.736 2.269 1.00 0.00 C ATOM 0 H ILE A 63 -5.318 1.400 5.109 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.532 0.805 4.376 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.026 1.587 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.306 0.146 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.007 -0.509 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.821 2.465 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.638 3.513 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.305 2.444 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.860 -1.718 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.453 -0.856 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.757 -0.191 1.649 1.00 0.00 H new ATOM 918 N LEU A 64 -3.658 3.730 5.253 1.00 0.00 N ATOM 919 CA LEU A 64 -3.253 5.072 5.638 1.00 0.00 C ATOM 920 C LEU A 64 -2.305 4.990 6.835 1.00 0.00 C ATOM 921 O LEU A 64 -1.341 5.750 6.921 1.00 0.00 O ATOM 922 CB LEU A 64 -4.481 5.951 5.885 1.00 0.00 C ATOM 923 CG LEU A 64 -4.548 7.251 5.080 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.323 7.048 3.776 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.131 8.387 5.921 1.00 0.00 C ATOM 0 H LEU A 64 -4.638 3.512 5.431 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.703 5.552 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.373 5.365 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.517 6.201 6.945 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.532 7.539 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.356 7.986 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.827 6.288 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.339 6.725 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.167 9.299 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.139 8.122 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.503 8.551 6.797 1.00 0.00 H new ATOM 936 N GLY A 65 -2.610 4.061 7.729 1.00 0.00 N ATOM 937 CA GLY A 65 -1.796 3.871 8.918 1.00 0.00 C ATOM 938 C GLY A 65 -0.364 3.482 8.545 1.00 0.00 C ATOM 939 O GLY A 65 0.555 3.641 9.347 1.00 0.00 O ATOM 0 H GLY A 65 -3.409 3.432 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.786 4.788 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.236 3.095 9.544 1.00 0.00 H new ATOM 943 N ARG A 66 -0.219 2.982 7.326 1.00 0.00 N ATOM 944 CA ARG A 66 1.086 2.569 6.838 1.00 0.00 C ATOM 945 C ARG A 66 1.850 3.774 6.283 1.00 0.00 C ATOM 946 O ARG A 66 3.037 3.938 6.553 1.00 0.00 O ATOM 947 CB ARG A 66 0.954 1.508 5.743 1.00 0.00 C ATOM 948 CG ARG A 66 1.634 0.203 6.160 1.00 0.00 C ATOM 949 CD ARG A 66 1.923 -0.677 4.942 1.00 0.00 C ATOM 950 NE ARG A 66 2.798 0.044 3.992 1.00 0.00 N ATOM 951 CZ ARG A 66 2.345 0.805 2.973 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.018 0.949 2.763 1.00 0.00 N ATOM 953 NH2 ARG A 66 3.217 1.405 2.184 1.00 0.00 N ATOM 0 H ARG A 66 -0.983 2.854 6.663 1.00 0.00 H new ATOM 0 HA ARG A 66 1.635 2.142 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.100 1.323 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.401 1.876 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.565 0.424 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.996 -0.336 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.402 -1.604 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.989 -0.952 4.452 1.00 0.00 H new ATOM 0 HE ARG A 66 3.807 -0.039 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.351 0.481 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.683 1.526 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.217 1.290 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.891 1.983 1.410 1.00 0.00 H new ATOM 963 N TYR A 67 1.135 4.584 5.516 1.00 0.00 N ATOM 964 CA TYR A 67 1.730 5.768 4.920 1.00 0.00 C ATOM 965 C TYR A 67 2.491 6.585 5.966 1.00 0.00 C ATOM 966 O TYR A 67 3.623 7.004 5.729 1.00 0.00 O ATOM 967 CB TYR A 67 0.565 6.604 4.387 1.00 0.00 C ATOM 968 CG TYR A 67 0.873 7.340 3.082 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.709 6.697 1.872 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.313 8.648 3.115 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.999 7.390 0.643 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.603 9.341 1.886 1.00 0.00 C ATOM 973 CZ TYR A 67 1.432 8.678 0.711 1.00 0.00 C ATOM 974 OH TYR A 67 1.705 9.333 -0.449 1.00 0.00 O ATOM 0 H TYR A 67 0.149 4.444 5.294 1.00 0.00 H new ATOM 0 HA TYR A 67 2.437 5.489 4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.295 5.952 4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.278 7.333 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.363 5.674 1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.440 9.152 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.876 6.898 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.948 10.364 1.897 1.00 0.00 H new ATOM 0 HH TYR A 67 2.591 9.069 -0.773 1.00 0.00 H new ATOM 983 N LYS A 68 1.839 6.787 7.102 1.00 0.00 N ATOM 984 CA LYS A 68 2.440 7.546 8.185 1.00 0.00 C ATOM 985 C LYS A 68 3.466 6.671 8.907 1.00 0.00 C ATOM 986 O LYS A 68 4.203 7.153 9.767 1.00 0.00 O ATOM 987 CB LYS A 68 1.358 8.113 9.106 1.00 0.00 C ATOM 988 CG LYS A 68 0.135 8.561 8.305 1.00 0.00 C ATOM 989 CD LYS A 68 -0.214 10.020 8.606 1.00 0.00 C ATOM 990 CE LYS A 68 -0.448 10.230 10.103 1.00 0.00 C ATOM 991 NZ LYS A 68 0.772 10.759 10.750 1.00 0.00 N ATOM 0 H LYS A 68 0.900 6.438 7.296 1.00 0.00 H new ATOM 0 HA LYS A 68 2.977 8.410 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.063 7.358 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.759 8.957 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.331 8.443 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.715 7.923 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.594 10.668 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.107 10.306 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.276 10.923 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.733 9.286 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.147 10.052 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.487 10.967 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.540 11.631 11.267 1.00 0.00 H new ATOM 1000 N GLN A 69 3.482 5.401 8.531 1.00 0.00 N ATOM 1001 CA GLN A 69 4.407 4.455 9.132 1.00 0.00 C ATOM 1002 C GLN A 69 5.681 4.349 8.292 1.00 0.00 C ATOM 1003 O GLN A 69 6.786 4.474 8.817 1.00 0.00 O ATOM 1004 CB GLN A 69 3.751 3.083 9.306 1.00 0.00 C ATOM 1005 CG GLN A 69 4.797 2.008 9.606 1.00 0.00 C ATOM 1006 CD GLN A 69 4.733 0.878 8.576 1.00 0.00 C ATOM 1007 OE1 GLN A 69 4.096 -0.143 8.777 1.00 0.00 O ATOM 1008 NE2 GLN A 69 5.426 1.117 7.467 1.00 0.00 N ATOM 0 H GLN A 69 2.870 5.005 7.818 1.00 0.00 H new ATOM 0 HA GLN A 69 4.678 4.822 10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.024 3.124 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.204 2.820 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.792 2.453 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.632 1.604 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.937 1.994 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.446 0.424 6.719 1.00 0.00 H new ATOM 1015 N ILE A 70 5.484 4.121 7.001 1.00 0.00 N ATOM 1016 CA ILE A 70 6.603 3.998 6.083 1.00 0.00 C ATOM 1017 C ILE A 70 7.405 5.302 6.087 1.00 0.00 C ATOM 1018 O ILE A 70 8.635 5.278 6.059 1.00 0.00 O ATOM 1019 CB ILE A 70 6.114 3.580 4.695 1.00 0.00 C ATOM 1020 CG1 ILE A 70 7.072 4.070 3.607 1.00 0.00 C ATOM 1021 CG2 ILE A 70 4.680 4.055 4.453 1.00 0.00 C ATOM 1022 CD1 ILE A 70 8.314 3.179 3.529 1.00 0.00 C ATOM 0 H ILE A 70 4.565 4.018 6.570 1.00 0.00 H new ATOM 0 HA ILE A 70 7.278 3.207 6.408 1.00 0.00 H new ATOM 0 HB ILE A 70 6.104 2.491 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.562 4.075 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.370 5.098 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.357 3.745 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.020 3.617 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.640 5.142 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.979 3.549 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.835 3.196 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.015 2.157 3.297 1.00 0.00 H new ATOM 1033 N LYS A 71 6.676 6.408 6.121 1.00 0.00 N ATOM 1034 CA LYS A 71 7.304 7.718 6.127 1.00 0.00 C ATOM 1035 C LYS A 71 7.876 7.997 7.518 1.00 0.00 C ATOM 1036 O LYS A 71 8.760 8.838 7.672 1.00 0.00 O ATOM 1037 CB LYS A 71 6.321 8.785 5.641 1.00 0.00 C ATOM 1038 CG LYS A 71 6.725 9.316 4.264 1.00 0.00 C ATOM 1039 CD LYS A 71 5.956 10.593 3.922 1.00 0.00 C ATOM 1040 CE LYS A 71 6.821 11.833 4.157 1.00 0.00 C ATOM 1041 NZ LYS A 71 6.229 13.013 3.487 1.00 0.00 N ATOM 0 H LYS A 71 5.656 6.424 6.145 1.00 0.00 H new ATOM 0 HA LYS A 71 8.139 7.744 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.317 8.364 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.288 9.607 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.796 9.517 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.531 8.557 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.635 10.561 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.054 10.653 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.912 12.023 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.828 11.659 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.829 13.846 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.164 12.835 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.278 13.188 3.869 1.00 0.00 H new ATOM 1050 N GLN A 72 7.348 7.276 8.496 1.00 0.00 N ATOM 1051 CA GLN A 72 7.796 7.435 9.870 1.00 0.00 C ATOM 1052 C GLN A 72 9.151 6.753 10.069 1.00 0.00 C ATOM 1053 O GLN A 72 9.882 7.079 11.003 1.00 0.00 O ATOM 1054 CB GLN A 72 6.757 6.888 10.852 1.00 0.00 C ATOM 1055 CG GLN A 72 7.424 6.054 11.946 1.00 0.00 C ATOM 1056 CD GLN A 72 6.471 5.826 13.121 1.00 0.00 C ATOM 1057 OE1 GLN A 72 6.865 5.774 14.274 1.00 0.00 O ATOM 1058 NE2 GLN A 72 5.195 5.694 12.764 1.00 0.00 N ATOM 0 H GLN A 72 6.614 6.580 8.365 1.00 0.00 H new ATOM 0 HA GLN A 72 7.914 8.500 10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.208 7.714 11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.031 6.277 10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.737 5.094 11.536 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.324 6.560 12.296 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.933 5.748 11.780 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.480 5.539 13.475 1.00 0.00 H new ATOM 1065 N ILE A 73 9.445 5.820 9.175 1.00 0.00 N ATOM 1066 CA ILE A 73 10.699 5.090 9.241 1.00 0.00 C ATOM 1067 C ILE A 73 11.814 5.943 8.633 1.00 0.00 C ATOM 1068 O ILE A 73 12.894 6.064 9.210 1.00 0.00 O ATOM 1069 CB ILE A 73 10.553 3.714 8.589 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.082 3.300 8.506 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.402 2.668 9.316 1.00 0.00 C ATOM 1072 CD1 ILE A 73 8.945 1.851 8.033 1.00 0.00 C ATOM 0 H ILE A 73 8.836 5.553 8.401 1.00 0.00 H new ATOM 0 HA ILE A 73 10.973 4.898 10.278 1.00 0.00 H new ATOM 0 HB ILE A 73 10.928 3.779 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.613 3.413 9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.553 3.962 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.279 1.699 8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.451 2.962 9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.081 2.597 10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.890 1.583 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.393 1.747 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.455 1.190 8.734 1.00 0.00 H new ATOM 1083 N GLY A 74 11.514 6.514 7.475 1.00 0.00 N ATOM 1084 CA GLY A 74 12.477 7.352 6.782 1.00 0.00 C ATOM 1085 C GLY A 74 12.639 6.914 5.325 1.00 0.00 C ATOM 1086 O GLY A 74 13.715 7.053 4.747 1.00 0.00 O ATOM 0 H GLY A 74 10.617 6.412 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.152 8.392 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.440 7.301 7.290 1.00 0.00 H new ATOM 1090 N GLY A 75 11.552 6.392 4.774 1.00 0.00 N ATOM 1091 CA GLY A 75 11.560 5.931 3.397 1.00 0.00 C ATOM 1092 C GLY A 75 10.485 6.645 2.574 1.00 0.00 C ATOM 1093 O GLY A 75 10.281 7.848 2.724 1.00 0.00 O ATOM 0 H GLY A 75 10.661 6.279 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.540 6.110 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.390 4.855 3.369 1.00 0.00 H new ATOM 1097 N GLU A 76 9.825 5.872 1.723 1.00 0.00 N ATOM 1098 CA GLU A 76 8.776 6.415 0.878 1.00 0.00 C ATOM 1099 C GLU A 76 7.592 5.448 0.814 1.00 0.00 C ATOM 1100 O GLU A 76 7.775 4.232 0.865 1.00 0.00 O ATOM 1101 CB GLU A 76 9.306 6.725 -0.523 1.00 0.00 C ATOM 1102 CG GLU A 76 10.784 7.123 -0.474 1.00 0.00 C ATOM 1103 CD GLU A 76 10.968 8.463 0.240 1.00 0.00 C ATOM 1104 OE1 GLU A 76 10.023 9.264 0.309 1.00 0.00 O ATOM 1105 OE2 GLU A 76 12.142 8.659 0.735 1.00 0.00 O ATOM 0 H GLU A 76 9.997 4.874 1.601 1.00 0.00 H new ATOM 0 HA GLU A 76 8.432 7.352 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.182 5.852 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.723 7.532 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.355 6.351 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.180 7.190 -1.487 1.00 0.00 H new ATOM 1111 N MET A 77 6.403 6.024 0.702 1.00 0.00 N ATOM 1112 CA MET A 77 5.190 5.228 0.630 1.00 0.00 C ATOM 1113 C MET A 77 4.656 5.171 -0.802 1.00 0.00 C ATOM 1114 O MET A 77 4.435 6.207 -1.428 1.00 0.00 O ATOM 1115 CB MET A 77 4.127 5.835 1.549 1.00 0.00 C ATOM 1116 CG MET A 77 4.772 6.666 2.660 1.00 0.00 C ATOM 1117 SD MET A 77 4.229 8.363 2.546 1.00 0.00 S ATOM 1118 CE MET A 77 4.773 8.751 0.890 1.00 0.00 C ATOM 0 H MET A 77 6.255 7.032 0.659 1.00 0.00 H new ATOM 0 HA MET A 77 5.423 4.213 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.452 6.462 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.524 5.040 1.988 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.506 6.255 3.634 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.858 6.617 2.579 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.449 9.758 0.627 1.00 0.00 H new ATOM 0 HE2 MET A 77 5.861 8.695 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.342 8.037 0.189 1.00 0.00 H new ATOM 1126 N VAL A 78 4.464 3.950 -1.279 1.00 0.00 N ATOM 1127 CA VAL A 78 3.959 3.744 -2.626 1.00 0.00 C ATOM 1128 C VAL A 78 2.681 2.906 -2.566 1.00 0.00 C ATOM 1129 O VAL A 78 2.441 2.205 -1.584 1.00 0.00 O ATOM 1130 CB VAL A 78 5.045 3.115 -3.502 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.465 2.011 -4.387 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.755 4.177 -4.344 1.00 0.00 C ATOM 0 H VAL A 78 4.649 3.093 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 78 3.700 4.698 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 78 5.785 2.661 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.258 1.581 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.029 1.234 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.694 2.430 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.522 3.703 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.031 4.674 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.219 4.912 -3.687 1.00 0.00 H new ATOM 1142 N VAL A 79 1.894 3.007 -3.627 1.00 0.00 N ATOM 1143 CA VAL A 79 0.646 2.266 -3.706 1.00 0.00 C ATOM 1144 C VAL A 79 0.020 2.477 -5.086 1.00 0.00 C ATOM 1145 O VAL A 79 -0.325 3.600 -5.451 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.280 2.679 -2.560 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -0.702 4.143 -2.696 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.502 1.761 -2.486 1.00 0.00 C ATOM 0 H VAL A 79 2.096 3.590 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 79 0.827 1.197 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 79 0.274 2.576 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.360 4.410 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.182 4.780 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.230 4.283 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.144 2.076 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.057 1.818 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.176 0.734 -2.320 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.107 1.379 -5.817 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.685 1.429 -7.149 1.00 0.00 C ATOM 1160 C CYS A 80 -1.644 0.247 -7.300 1.00 0.00 C ATOM 1161 O CYS A 80 -1.937 -0.449 -6.329 1.00 0.00 O ATOM 1162 CB CYS A 80 0.394 1.432 -8.234 1.00 0.00 C ATOM 1163 SG CYS A 80 1.553 0.041 -7.968 1.00 0.00 S ATOM 0 H CYS A 80 0.181 0.449 -5.512 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.236 2.361 -7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.068 1.348 -9.218 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.937 2.377 -8.216 1.00 0.00 H new ATOM 0 HG CYS A 80 1.457 -0.375 -6.740 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.107 0.056 -8.527 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.028 -1.030 -8.819 1.00 0.00 C ATOM 1170 C ALA A 81 -4.395 -0.711 -8.212 1.00 0.00 C ATOM 1171 O ALA A 81 -4.674 -1.080 -7.072 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.449 -2.345 -8.293 1.00 0.00 C ATOM 0 H ALA A 81 -1.862 0.635 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.163 -1.140 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.139 -3.160 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.492 -2.540 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.303 -2.273 -7.215 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.212 -0.028 -9.000 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.544 0.345 -8.555 1.00 0.00 C ATOM 1180 C ILE A 82 -7.477 0.427 -9.764 1.00 0.00 C ATOM 1181 O ILE A 82 -7.223 -0.198 -10.793 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.492 1.632 -7.730 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.674 1.710 -6.762 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.411 2.861 -8.637 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -7.228 1.424 -5.326 1.00 0.00 C ATOM 0 H ILE A 82 -4.977 0.277 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.951 -0.417 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.584 1.616 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.127 2.700 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.439 0.993 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.375 3.763 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.512 2.802 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.288 2.895 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.088 1.486 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.797 0.424 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.481 2.158 -5.024 1.00 0.00 H new ATOM 1196 N SER A 83 -8.540 1.202 -9.600 1.00 0.00 N ATOM 1197 CA SER A 83 -9.512 1.374 -10.666 1.00 0.00 C ATOM 1198 C SER A 83 -10.196 2.737 -10.536 1.00 0.00 C ATOM 1199 O SER A 83 -10.076 3.399 -9.506 1.00 0.00 O ATOM 1200 CB SER A 83 -10.554 0.253 -10.648 1.00 0.00 C ATOM 1201 OG SER A 83 -10.342 -0.690 -11.696 1.00 0.00 O ATOM 0 H SER A 83 -8.749 1.717 -8.745 1.00 0.00 H new ATOM 0 HA SER A 83 -8.985 1.328 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.519 -0.259 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.551 0.683 -10.744 1.00 0.00 H new ATOM 0 HG SER A 83 -11.026 -1.390 -11.649 1.00 0.00 H new ATOM 1206 N PRO A 84 -10.918 3.123 -11.621 1.00 0.00 N ATOM 1207 CA PRO A 84 -11.622 4.394 -11.637 1.00 0.00 C ATOM 1208 C PRO A 84 -12.885 4.333 -10.776 1.00 0.00 C ATOM 1209 O PRO A 84 -13.609 5.321 -10.660 1.00 0.00 O ATOM 1210 CB PRO A 84 -11.915 4.662 -13.104 1.00 0.00 C ATOM 1211 CG PRO A 84 -11.781 3.323 -13.808 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.083 2.363 -12.857 1.00 0.00 C ATOM 0 HA PRO A 84 -11.035 5.206 -11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -12.916 5.073 -13.233 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.216 5.391 -13.515 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.762 2.938 -14.086 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.208 3.432 -14.729 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.678 1.465 -12.693 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.121 2.040 -13.255 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.110 3.165 -10.195 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.273 2.961 -9.348 1.00 0.00 C ATOM 1219 C ALA A 85 -13.834 2.314 -8.033 1.00 0.00 C ATOM 1220 O ALA A 85 -14.638 1.682 -7.349 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.308 2.119 -10.096 1.00 0.00 C ATOM 0 H ALA A 85 -12.506 2.349 -10.294 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.743 3.914 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.180 1.966 -9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.609 2.637 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.873 1.153 -10.354 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.560 2.493 -7.718 1.00 0.00 N ATOM 1228 CA VAL A 86 -12.005 1.935 -6.498 1.00 0.00 C ATOM 1229 C VAL A 86 -11.047 2.948 -5.867 1.00 0.00 C ATOM 1230 O VAL A 86 -10.944 3.033 -4.645 1.00 0.00 O ATOM 1231 CB VAL A 86 -11.341 0.588 -6.793 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -10.208 0.307 -5.804 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -12.370 -0.544 -6.784 1.00 0.00 C ATOM 0 H VAL A 86 -11.896 3.017 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.796 1.741 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.908 0.639 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.753 -0.656 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.455 1.092 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.607 0.285 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.872 -1.490 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.845 -0.596 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.127 -0.354 -7.545 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.370 3.691 -6.731 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.424 4.695 -6.274 1.00 0.00 C ATOM 1245 C LYS A 87 -10.188 5.944 -5.830 1.00 0.00 C ATOM 1246 O LYS A 87 -9.607 6.853 -5.239 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.372 4.967 -7.350 1.00 0.00 C ATOM 1248 CG LYS A 87 -8.617 6.318 -8.027 1.00 0.00 C ATOM 1249 CD LYS A 87 -7.662 6.523 -9.205 1.00 0.00 C ATOM 1250 CE LYS A 87 -7.867 7.897 -9.845 1.00 0.00 C ATOM 1251 NZ LYS A 87 -6.562 8.519 -10.165 1.00 0.00 N ATOM 0 H LYS A 87 -10.458 3.618 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.873 4.333 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.378 4.955 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.396 4.173 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.648 6.372 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.484 7.121 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.631 6.427 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.824 5.743 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.461 7.797 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.427 8.541 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.719 9.451 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.008 8.632 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.041 7.911 -10.829 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.478 5.948 -6.132 1.00 0.00 N ATOM 1261 CA ARG A 88 -12.327 7.071 -5.771 1.00 0.00 C ATOM 1262 C ARG A 88 -12.545 7.106 -4.257 1.00 0.00 C ATOM 1263 O ARG A 88 -12.832 8.160 -3.692 1.00 0.00 O ATOM 1264 CB ARG A 88 -13.684 6.984 -6.473 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.677 6.165 -5.648 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.337 4.674 -5.700 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.576 3.875 -5.817 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.539 3.831 -4.870 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.413 4.540 -3.729 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.607 3.083 -5.079 1.00 0.00 N ATOM 0 H ARG A 88 -11.956 5.192 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.824 7.983 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.079 7.987 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.560 6.529 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.665 6.508 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.687 6.324 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.683 4.471 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.792 4.385 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.712 3.323 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.585 5.116 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.145 4.500 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.695 2.550 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.344 3.038 -4.375 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.402 5.940 -3.643 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.579 5.824 -2.206 1.00 0.00 C ATOM 1282 C LEU A 89 -11.516 6.663 -1.495 1.00 0.00 C ATOM 1283 O LEU A 89 -11.798 7.300 -0.482 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.586 4.354 -1.784 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.951 3.766 -1.421 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -14.111 2.356 -1.992 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.178 3.801 0.092 1.00 0.00 C ATOM 0 H LEU A 89 -12.165 5.067 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.549 6.222 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.162 3.762 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.924 4.240 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.722 4.387 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.090 1.962 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.024 2.391 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.333 1.709 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.155 3.377 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.403 3.218 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.138 4.832 0.442 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.316 6.637 -2.055 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.208 7.387 -1.488 1.00 0.00 C ATOM 1300 C PHE A 90 -9.307 8.870 -1.852 1.00 0.00 C ATOM 1301 O PHE A 90 -8.891 9.732 -1.079 1.00 0.00 O ATOM 1302 CB PHE A 90 -7.924 6.812 -2.087 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.616 5.380 -1.642 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.295 4.336 -2.189 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.663 5.152 -0.699 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.010 3.009 -1.776 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.379 3.823 -0.285 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.058 2.780 -0.832 1.00 0.00 C ATOM 0 H PHE A 90 -10.086 6.108 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.221 7.305 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.000 6.835 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.088 7.455 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.052 4.517 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.123 5.980 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.549 2.181 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.623 3.641 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.842 1.770 -0.517 1.00 0.00 H new ATOM 1317 N ASP A 91 -9.860 9.121 -3.029 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.018 10.485 -3.505 1.00 0.00 C ATOM 1319 C ASP A 91 -10.941 11.249 -2.553 1.00 0.00 C ATOM 1320 O ASP A 91 -10.779 12.453 -2.358 1.00 0.00 O ATOM 1321 CB ASP A 91 -10.650 10.512 -4.898 1.00 0.00 C ATOM 1322 CG ASP A 91 -9.828 11.236 -5.967 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.028 12.132 -5.660 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -10.038 10.840 -7.176 1.00 0.00 O ATOM 0 H ASP A 91 -10.204 8.404 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.030 10.944 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.819 9.486 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.628 10.989 -4.828 1.00 0.00 H new ATOM 1329 N MET A 92 -11.889 10.518 -1.985 1.00 0.00 N ATOM 1330 CA MET A 92 -12.837 11.112 -1.058 1.00 0.00 C ATOM 1331 C MET A 92 -12.933 10.291 0.230 1.00 0.00 C ATOM 1332 O MET A 92 -12.679 10.804 1.318 1.00 0.00 O ATOM 1333 CB MET A 92 -14.215 11.192 -1.718 1.00 0.00 C ATOM 1334 CG MET A 92 -14.981 12.427 -1.241 1.00 0.00 C ATOM 1335 SD MET A 92 -14.224 13.905 -1.896 1.00 0.00 S ATOM 1336 CE MET A 92 -15.555 15.069 -1.653 1.00 0.00 C ATOM 0 H MET A 92 -12.021 9.520 -2.149 1.00 0.00 H new ATOM 0 HA MET A 92 -12.489 12.113 -0.803 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.102 11.226 -2.802 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.786 10.293 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.021 12.367 -1.563 1.00 0.00 H new ATOM 0 HG3 MET A 92 -14.987 12.463 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 92 -15.249 16.052 -2.011 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.433 14.738 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 92 -15.797 15.129 -0.592 1.00 0.00 H new ATOM 1344 N SER A 93 -13.301 9.029 0.062 1.00 0.00 N ATOM 1345 CA SER A 93 -13.434 8.131 1.197 1.00 0.00 C ATOM 1346 C SER A 93 -12.084 7.971 1.898 1.00 0.00 C ATOM 1347 O SER A 93 -12.015 7.439 3.006 1.00 0.00 O ATOM 1348 CB SER A 93 -13.970 6.767 0.760 1.00 0.00 C ATOM 1349 OG SER A 93 -14.980 6.283 1.641 1.00 0.00 O ATOM 0 H SER A 93 -13.511 8.607 -0.843 1.00 0.00 H new ATOM 0 HA SER A 93 -14.150 8.565 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.375 6.843 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.149 6.051 0.721 1.00 0.00 H new ATOM 0 HG SER A 93 -15.669 5.816 1.124 1.00 0.00 H new ATOM 1354 N GLY A 94 -11.044 8.442 1.226 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.700 8.357 1.771 1.00 0.00 C ATOM 1356 C GLY A 94 -8.939 9.667 1.556 1.00 0.00 C ATOM 1357 O GLY A 94 -9.496 10.637 1.047 1.00 0.00 O ATOM 0 H GLY A 94 -11.105 8.884 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.749 8.131 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.162 7.537 1.296 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.675 9.651 1.957 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.831 10.826 1.814 1.00 0.00 C ATOM 1363 C LEU A 95 -5.892 10.631 0.622 1.00 0.00 C ATOM 1364 O LEU A 95 -4.743 11.071 0.654 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.105 11.125 3.126 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.691 12.582 3.347 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -6.897 13.517 3.235 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -4.957 12.748 4.678 1.00 0.00 C ATOM 0 H LEU A 95 -7.216 8.844 2.380 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.436 11.708 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.749 10.822 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.211 10.503 3.174 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.992 12.862 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.576 14.546 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.337 13.426 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.638 13.246 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.674 13.792 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.611 12.443 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.061 12.127 4.680 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.414 9.972 -0.402 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.637 9.714 -1.601 1.00 0.00 C ATOM 1381 C PHE A 96 -4.334 10.517 -1.595 1.00 0.00 C ATOM 1382 O PHE A 96 -3.267 9.977 -1.878 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.490 10.160 -2.792 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.504 9.166 -3.954 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.960 7.929 -3.798 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.061 9.518 -5.143 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.973 7.006 -4.877 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.074 8.596 -6.223 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.529 7.359 -6.066 1.00 0.00 C ATOM 0 H PHE A 96 -7.367 9.609 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.381 8.656 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.513 10.321 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.119 11.119 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.518 7.649 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.494 10.500 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.541 6.024 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.516 8.876 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.538 6.657 -6.887 1.00 0.00 H new ATOM 1398 N LYS A 97 -4.466 11.794 -1.266 1.00 0.00 N ATOM 1399 CA LYS A 97 -3.313 12.676 -1.218 1.00 0.00 C ATOM 1400 C LYS A 97 -2.307 12.139 -0.197 1.00 0.00 C ATOM 1401 O LYS A 97 -1.110 12.401 -0.303 1.00 0.00 O ATOM 1402 CB LYS A 97 -3.751 14.117 -0.949 1.00 0.00 C ATOM 1403 CG LYS A 97 -5.079 14.424 -1.643 1.00 0.00 C ATOM 1404 CD LYS A 97 -6.243 14.363 -0.652 1.00 0.00 C ATOM 1405 CE LYS A 97 -6.853 15.750 -0.435 1.00 0.00 C ATOM 1406 NZ LYS A 97 -7.429 16.265 -1.697 1.00 0.00 N ATOM 0 H LYS A 97 -5.353 12.238 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.809 12.695 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.852 14.276 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.984 14.806 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.035 15.414 -2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.246 13.710 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.007 13.680 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.894 13.962 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.627 15.698 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.089 16.437 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.232 16.890 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.704 16.799 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.756 15.468 -2.280 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.831 11.398 0.768 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.994 10.821 1.807 1.00 0.00 C ATOM 1417 C ILE A 98 -1.643 9.380 1.431 1.00 0.00 C ATOM 1418 O ILE A 98 -0.902 8.711 2.150 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.669 10.954 3.173 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.750 11.660 4.172 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.136 9.591 3.688 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.649 10.869 5.478 1.00 0.00 C ATOM 0 H ILE A 98 -3.825 11.184 0.853 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.054 11.367 1.887 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.557 11.576 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.758 11.779 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.130 12.661 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.612 9.713 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.850 9.162 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.278 8.925 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.990 11.393 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.640 10.773 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.245 9.878 5.273 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.191 8.945 0.306 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.944 7.595 -0.173 1.00 0.00 C ATOM 1435 C ILE A 99 -1.175 7.661 -1.494 1.00 0.00 C ATOM 1436 O ILE A 99 -0.615 6.660 -1.941 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.255 6.812 -0.263 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.824 6.533 1.130 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.071 5.527 -1.073 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.750 5.962 2.058 1.00 0.00 C ATOM 0 H ILE A 99 -2.805 9.503 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.320 7.047 0.533 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.984 7.426 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.224 7.454 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.654 5.831 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.018 4.989 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.743 5.777 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.321 4.899 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.181 5.773 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.370 5.029 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.933 6.677 2.152 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.172 8.848 -2.082 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.480 9.057 -3.343 1.00 0.00 C ATOM 1453 C ARG A 100 -0.519 7.782 -4.187 1.00 0.00 C ATOM 1454 O ARG A 100 0.467 7.050 -4.260 1.00 0.00 O ATOM 1455 CB ARG A 100 0.976 9.463 -3.111 1.00 0.00 C ATOM 1456 CG ARG A 100 1.063 10.842 -2.455 1.00 0.00 C ATOM 1457 CD ARG A 100 0.929 11.955 -3.496 1.00 0.00 C ATOM 1458 NE ARG A 100 0.061 13.035 -2.973 1.00 0.00 N ATOM 1459 CZ ARG A 100 0.412 13.869 -1.971 1.00 0.00 C ATOM 1460 NH1 ARG A 100 1.618 13.755 -1.375 1.00 0.00 N ATOM 1461 NH2 ARG A 100 -0.440 14.799 -1.584 1.00 0.00 N ATOM 0 H ARG A 100 -1.638 9.675 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.990 9.862 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.467 8.724 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.510 9.474 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.277 10.943 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.015 10.941 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.913 12.355 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.509 11.553 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.859 13.156 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.272 13.035 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.875 14.389 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.349 14.880 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.190 15.437 -0.828 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.669 7.553 -4.804 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.850 6.378 -5.640 1.00 0.00 C ATOM 1473 C PHE A 101 -1.697 6.730 -7.121 1.00 0.00 C ATOM 1474 O PHE A 101 -1.699 7.905 -7.486 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.271 5.868 -5.394 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.402 4.344 -5.442 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.401 3.700 -6.640 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.519 3.634 -4.288 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.523 2.285 -6.685 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.641 2.220 -4.334 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.640 1.575 -5.531 1.00 0.00 C ATOM 0 H PHE A 101 -2.485 8.162 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.100 5.627 -5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.609 6.221 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.936 6.303 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.308 4.264 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.519 4.145 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.523 1.773 -7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.735 1.656 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.732 0.499 -5.565 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.568 5.692 -7.933 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.414 5.877 -9.366 1.00 0.00 C ATOM 1492 C GLU A 102 -2.134 4.761 -10.126 1.00 0.00 C ATOM 1493 O GLU A 102 -3.145 4.238 -9.658 1.00 0.00 O ATOM 1494 CB GLU A 102 0.064 5.941 -9.756 1.00 0.00 C ATOM 1495 CG GLU A 102 0.339 7.137 -10.668 1.00 0.00 C ATOM 1496 CD GLU A 102 0.527 6.688 -12.119 1.00 0.00 C ATOM 1497 OE1 GLU A 102 1.209 5.685 -12.374 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -0.067 7.423 -12.997 1.00 0.00 O ATOM 0 H GLU A 102 -1.567 4.719 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.869 6.829 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.678 6.015 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.350 5.019 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.489 7.844 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.232 7.661 -10.327 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.586 4.428 -11.285 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.162 3.384 -12.114 1.00 0.00 C ATOM 1506 C GLN A 103 -1.069 2.682 -12.921 1.00 0.00 C ATOM 1507 O GLN A 103 -0.676 3.158 -13.985 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.246 3.950 -13.034 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.878 5.206 -12.430 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.899 5.821 -13.389 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.842 6.990 -13.730 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.833 4.970 -13.803 1.00 0.00 N ATOM 0 H GLN A 103 -0.748 4.864 -11.670 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.633 2.648 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.815 4.187 -14.007 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.015 3.196 -13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.364 4.955 -11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.101 5.936 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.822 4.003 -13.478 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.560 5.284 -14.446 1.00 0.00 H new ATOM 1519 N SER A 104 -0.608 1.561 -12.385 1.00 0.00 N ATOM 1520 CA SER A 104 0.433 0.789 -13.042 1.00 0.00 C ATOM 1521 C SER A 104 1.636 1.684 -13.345 1.00 0.00 C ATOM 1522 O SER A 104 2.737 1.436 -12.857 1.00 0.00 O ATOM 1523 CB SER A 104 -0.088 0.146 -14.328 1.00 0.00 C ATOM 1524 OG SER A 104 0.972 -0.262 -15.189 1.00 0.00 O ATOM 0 H SER A 104 -0.937 1.169 -11.503 1.00 0.00 H new ATOM 0 HA SER A 104 0.744 -0.010 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.704 -0.717 -14.078 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.729 0.854 -14.853 1.00 0.00 H new ATOM 0 HG SER A 104 0.598 -0.669 -15.998 1.00 0.00 H new ATOM 1529 N GLU A 105 1.384 2.707 -14.150 1.00 0.00 N ATOM 1530 CA GLU A 105 2.433 3.640 -14.524 1.00 0.00 C ATOM 1531 C GLU A 105 3.350 3.914 -13.330 1.00 0.00 C ATOM 1532 O GLU A 105 4.527 4.228 -13.506 1.00 0.00 O ATOM 1533 CB GLU A 105 1.841 4.941 -15.071 1.00 0.00 C ATOM 1534 CG GLU A 105 2.866 6.074 -15.020 1.00 0.00 C ATOM 1535 CD GLU A 105 2.588 7.114 -16.107 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.975 6.788 -17.134 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.033 8.299 -15.855 1.00 0.00 O ATOM 0 H GLU A 105 0.469 2.910 -14.553 1.00 0.00 H new ATOM 0 HA GLU A 105 3.028 3.188 -15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.511 4.791 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.960 5.216 -14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.838 6.551 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.869 5.668 -15.148 1.00 0.00 H new ATOM 1543 N GLN A 106 2.777 3.787 -12.143 1.00 0.00 N ATOM 1544 CA GLN A 106 3.528 4.018 -10.920 1.00 0.00 C ATOM 1545 C GLN A 106 4.441 2.827 -10.626 1.00 0.00 C ATOM 1546 O GLN A 106 5.425 2.958 -9.900 1.00 0.00 O ATOM 1547 CB GLN A 106 2.590 4.295 -9.744 1.00 0.00 C ATOM 1548 CG GLN A 106 3.278 3.995 -8.411 1.00 0.00 C ATOM 1549 CD GLN A 106 2.572 4.708 -7.256 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.976 4.095 -6.385 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.671 6.034 -7.298 1.00 0.00 N ATOM 0 H GLN A 106 1.801 3.527 -12.001 1.00 0.00 H new ATOM 0 HA GLN A 106 4.150 4.902 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.271 5.337 -9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.692 3.685 -9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.279 2.920 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.320 4.312 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.185 6.483 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.233 6.601 -6.572 1.00 0.00 H new ATOM 1558 N GLN A 107 4.080 1.689 -11.203 1.00 0.00 N ATOM 1559 CA GLN A 107 4.855 0.474 -11.011 1.00 0.00 C ATOM 1560 C GLN A 107 6.334 0.813 -10.816 1.00 0.00 C ATOM 1561 O GLN A 107 7.036 0.140 -10.061 1.00 0.00 O ATOM 1562 CB GLN A 107 4.663 -0.489 -12.183 1.00 0.00 C ATOM 1563 CG GLN A 107 5.552 -0.098 -13.366 1.00 0.00 C ATOM 1564 CD GLN A 107 4.988 -0.643 -14.679 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.930 -1.839 -14.911 1.00 0.00 O ATOM 1566 NE2 GLN A 107 4.575 0.299 -15.524 1.00 0.00 N ATOM 0 H GLN A 107 3.262 1.583 -11.803 1.00 0.00 H new ATOM 0 HA GLN A 107 4.495 -0.025 -10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.899 -1.505 -11.866 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.618 -0.487 -12.493 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.631 0.988 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.560 -0.483 -13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.652 1.283 -15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.182 0.037 -16.428 1.00 0.00 H new ATOM 1573 N ALA A 108 6.765 1.857 -11.509 1.00 0.00 N ATOM 1574 CA ALA A 108 8.149 2.293 -11.423 1.00 0.00 C ATOM 1575 C ALA A 108 8.350 3.082 -10.127 1.00 0.00 C ATOM 1576 O ALA A 108 9.118 2.673 -9.259 1.00 0.00 O ATOM 1577 CB ALA A 108 8.505 3.111 -12.666 1.00 0.00 C ATOM 0 H ALA A 108 6.180 2.414 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 108 8.821 1.435 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.543 3.438 -12.601 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.373 2.496 -13.556 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.853 3.983 -12.727 1.00 0.00 H new ATOM 1583 N LEU A 109 7.645 4.201 -10.039 1.00 0.00 N ATOM 1584 CA LEU A 109 7.737 5.052 -8.864 1.00 0.00 C ATOM 1585 C LEU A 109 7.263 4.271 -7.636 1.00 0.00 C ATOM 1586 O LEU A 109 7.489 4.693 -6.504 1.00 0.00 O ATOM 1587 CB LEU A 109 6.977 6.361 -9.090 1.00 0.00 C ATOM 1588 CG LEU A 109 7.787 7.645 -8.906 1.00 0.00 C ATOM 1589 CD1 LEU A 109 7.111 8.826 -9.606 1.00 0.00 C ATOM 1590 CD2 LEU A 109 8.039 7.927 -7.424 1.00 0.00 C ATOM 0 H LEU A 109 7.008 4.538 -10.761 1.00 0.00 H new ATOM 0 HA LEU A 109 8.773 5.338 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.571 6.353 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.129 6.389 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 109 8.760 7.505 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.708 9.726 -9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.026 8.617 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.117 8.977 -9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.617 8.845 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.086 8.039 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.594 7.098 -6.985 1.00 0.00 H new ATOM 1601 N LEU A 110 6.616 3.146 -7.903 1.00 0.00 N ATOM 1602 CA LEU A 110 6.109 2.302 -6.834 1.00 0.00 C ATOM 1603 C LEU A 110 7.278 1.816 -5.976 1.00 0.00 C ATOM 1604 O LEU A 110 7.156 1.710 -4.756 1.00 0.00 O ATOM 1605 CB LEU A 110 5.253 1.170 -7.406 1.00 0.00 C ATOM 1606 CG LEU A 110 5.317 -0.162 -6.656 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.927 -0.594 -6.186 1.00 0.00 C ATOM 1608 CD2 LEU A 110 5.995 -1.238 -7.507 1.00 0.00 C ATOM 0 H LEU A 110 6.431 2.799 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 110 5.448 2.871 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.215 1.502 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.556 0.998 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 110 5.929 -0.023 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.001 -1.544 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.517 0.164 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.271 -0.710 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.028 -2.175 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.431 -1.382 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.010 -0.924 -7.749 1.00 0.00 H new ATOM 1619 N THR A 111 8.386 1.535 -6.646 1.00 0.00 N ATOM 1620 CA THR A 111 9.577 1.063 -5.960 1.00 0.00 C ATOM 1621 C THR A 111 10.028 2.082 -4.912 1.00 0.00 C ATOM 1622 O THR A 111 10.980 1.839 -4.174 1.00 0.00 O ATOM 1623 CB THR A 111 10.643 0.764 -7.015 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.049 -0.239 -7.834 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.876 0.079 -6.423 1.00 0.00 C ATOM 0 H THR A 111 8.484 1.625 -7.657 1.00 0.00 H new ATOM 0 HA THR A 111 9.378 0.144 -5.409 1.00 0.00 H new ATOM 0 HB THR A 111 10.942 1.692 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.673 -0.491 -8.547 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.602 -0.111 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.323 0.725 -5.667 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.583 -0.866 -5.965 1.00 0.00 H new ATOM 1633 N LEU A 112 9.321 3.203 -4.881 1.00 0.00 N ATOM 1634 CA LEU A 112 9.637 4.261 -3.936 1.00 0.00 C ATOM 1635 C LEU A 112 10.365 5.390 -4.666 1.00 0.00 C ATOM 1636 O LEU A 112 11.015 6.223 -4.036 1.00 0.00 O ATOM 1637 CB LEU A 112 10.412 3.698 -2.742 1.00 0.00 C ATOM 1638 CG LEU A 112 11.937 3.754 -2.848 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.381 3.919 -4.302 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.510 4.851 -1.946 1.00 0.00 C ATOM 0 H LEU A 112 8.531 3.401 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 112 8.724 4.688 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.109 4.243 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.115 2.659 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 112 12.338 2.804 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.469 3.956 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.021 3.075 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.969 4.844 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.596 4.869 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.103 5.817 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.239 4.648 -0.910 1.00 0.00 H new ATOM 1651 N GLY A 113 10.231 5.383 -5.984 1.00 0.00 N ATOM 1652 CA GLY A 113 10.869 6.397 -6.806 1.00 0.00 C ATOM 1653 C GLY A 113 12.070 5.818 -7.557 1.00 0.00 C ATOM 1654 O GLY A 113 13.200 6.265 -7.365 1.00 0.00 O ATOM 0 H GLY A 113 9.690 4.691 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.149 6.798 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.194 7.227 -6.179 1.00 0.00 H new ATOM 1658 N VAL A 114 11.785 4.832 -8.394 1.00 0.00 N ATOM 1659 CA VAL A 114 12.828 4.187 -9.174 1.00 0.00 C ATOM 1660 C VAL A 114 13.916 3.668 -8.233 1.00 0.00 C ATOM 1661 O VAL A 114 14.662 4.451 -7.647 1.00 0.00 O ATOM 1662 CB VAL A 114 13.365 5.155 -10.231 1.00 0.00 C ATOM 1663 CG1 VAL A 114 14.755 5.669 -9.850 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.383 4.502 -11.615 1.00 0.00 C ATOM 0 H VAL A 114 10.847 4.464 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 114 12.426 3.328 -9.712 1.00 0.00 H new ATOM 0 HB VAL A 114 12.691 6.011 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.113 6.355 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.701 6.191 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.443 4.828 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.769 5.211 -12.347 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.023 3.620 -11.593 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.370 4.209 -11.892 1.00 0.00 H new ATOM 1674 N ALA A 115 13.972 2.349 -8.117 1.00 0.00 N ATOM 1675 CA ALA A 115 14.957 1.716 -7.256 1.00 0.00 C ATOM 1676 C ALA A 115 15.285 0.324 -7.802 1.00 0.00 C ATOM 1677 O ALA A 115 14.813 -0.682 -7.272 1.00 0.00 O ATOM 1678 CB ALA A 115 14.426 1.669 -5.821 1.00 0.00 C ATOM 0 H ALA A 115 13.352 1.702 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 115 15.882 2.292 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.165 1.194 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.236 2.683 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.499 1.096 -5.795 1.00 0.00 H new ATOM 1684 N SER A 116 16.091 0.311 -8.853 1.00 0.00 N ATOM 1685 CA SER A 116 16.486 -0.940 -9.476 1.00 0.00 C ATOM 1686 C SER A 116 16.891 -0.695 -10.931 1.00 0.00 C ATOM 1687 O SER A 116 17.406 -1.594 -11.595 1.00 0.00 O ATOM 1688 CB SER A 116 15.360 -1.973 -9.405 1.00 0.00 C ATOM 1689 OG SER A 116 14.074 -1.364 -9.473 1.00 0.00 O ATOM 0 H SER A 116 16.481 1.147 -9.289 1.00 0.00 H new ATOM 0 HA SER A 116 17.341 -1.338 -8.929 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.468 -2.685 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.445 -2.539 -8.477 1.00 0.00 H new ATOM 0 HG SER A 116 13.733 -1.218 -8.566 1.00 0.00 H new TER 1694 SER A 116