USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 991 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-3.2!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc=-0.00825 USER MOD Set 2.1: A 64 GLN : amide:sc= -7.19! C(o=-10!,f=-9.6!) USER MOD Set 2.2: A 94 GLN : amide:sc= -3.31! K(o=-10!,f=-8.9) USER MOD Set 3.1: A 60 HIS : no HD1:sc= -1.89 K(o=-2.1,f=-4.7) USER MOD Set 3.2: A 71 CYS SG : rot 8:sc= -0.54 USER MOD Set 3.3: A 73 THR OG1 : rot 132:sc= 0.289 USER MOD Set 4.1: A 48 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.5!) USER MOD Set 4.2: A 61 TYR OH : rot 180:sc=-0.000886 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0427 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 18:sc= 0.15 USER MOD Single : A 5 SER OG : rot -50:sc= 0.455 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 147:sc= -0.509 (180deg=-1.57!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 34:sc= 0.172 USER MOD Single : A 31 ASN : amide:sc= -0.0534 K(o=-0.053,f=-1.7!) USER MOD Single : A 36 THR OG1 : rot 170:sc= 1.3 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 29:sc= 0.992 USER MOD Single : A 54 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.26) USER MOD Single : A 56 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.66) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -106:sc= 0.379 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-1.5) USER MOD Single : A 87 ASN : amide:sc= -0.0253 X(o=-0.025,f=0.11) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= -5.46 (180deg=-5.6) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 94:sc= 0.825 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0462 X(o=-0.046,f=-0.16) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0714 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -177:sc= -2.04! (180deg=-2.17!) USER MOD Single : A 110 ASN : amide:sc= -1.33! C(o=-1.3!,f=-2.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.2) USER MOD Single : A 122 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.51) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-0.37) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.902 2.865 20.539 1.00 0.00 N ATOM 2 CA GLY A 1 -17.164 3.475 21.630 1.00 0.00 C ATOM 3 C GLY A 1 -16.782 4.913 21.338 1.00 0.00 C ATOM 4 O GLY A 1 -16.686 5.314 20.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.887 2.704 20.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.886 3.497 19.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.463 1.956 20.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.767 3.439 22.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.262 2.895 21.824 1.00 0.00 H new ATOM 8 N SER A 2 -16.564 5.691 22.394 1.00 0.00 N ATOM 9 CA SER A 2 -16.195 7.094 22.245 1.00 0.00 C ATOM 10 C SER A 2 -14.745 7.321 22.661 1.00 0.00 C ATOM 11 O SER A 2 -14.419 7.314 23.848 1.00 0.00 O ATOM 12 CB SER A 2 -17.122 7.978 23.082 1.00 0.00 C ATOM 13 OG SER A 2 -17.011 9.338 22.701 1.00 0.00 O ATOM 0 H SER A 2 -16.636 5.374 23.361 1.00 0.00 H new ATOM 0 HA SER A 2 -16.300 7.363 21.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.153 7.646 22.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.875 7.872 24.138 1.00 0.00 H new ATOM 0 HG SER A 2 -17.614 9.882 23.249 1.00 0.00 H new ATOM 19 N SER A 3 -13.878 7.523 21.674 1.00 0.00 N ATOM 20 CA SER A 3 -12.461 7.748 21.935 1.00 0.00 C ATOM 21 C SER A 3 -11.862 8.696 20.900 1.00 0.00 C ATOM 22 O SER A 3 -12.185 8.624 19.715 1.00 0.00 O ATOM 23 CB SER A 3 -11.701 6.420 21.927 1.00 0.00 C ATOM 24 OG SER A 3 -11.840 5.747 23.166 1.00 0.00 O ATOM 0 H SER A 3 -14.132 7.535 20.686 1.00 0.00 H new ATOM 0 HA SER A 3 -12.367 8.206 22.920 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.075 5.788 21.122 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.646 6.602 21.725 1.00 0.00 H new ATOM 0 HG SER A 3 -12.601 6.120 23.657 1.00 0.00 H new ATOM 30 N GLY A 4 -10.986 9.585 21.358 1.00 0.00 N ATOM 31 CA GLY A 4 -10.355 10.535 20.460 1.00 0.00 C ATOM 32 C GLY A 4 -9.090 9.987 19.831 1.00 0.00 C ATOM 33 O GLY A 4 -8.071 9.832 20.504 1.00 0.00 O ATOM 0 H GLY A 4 -10.702 9.664 22.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.058 10.809 19.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.119 11.447 21.009 1.00 0.00 H new ATOM 37 N SER A 5 -9.155 9.690 18.537 1.00 0.00 N ATOM 38 CA SER A 5 -8.007 9.149 17.818 1.00 0.00 C ATOM 39 C SER A 5 -7.734 9.952 16.550 1.00 0.00 C ATOM 40 O SER A 5 -7.462 9.386 15.491 1.00 0.00 O ATOM 41 CB SER A 5 -8.245 7.680 17.465 1.00 0.00 C ATOM 42 OG SER A 5 -7.081 7.094 16.909 1.00 0.00 O ATOM 0 H SER A 5 -9.990 9.815 17.965 1.00 0.00 H new ATOM 0 HA SER A 5 -7.135 9.221 18.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.541 7.131 18.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.069 7.602 16.756 1.00 0.00 H new ATOM 0 HG SER A 5 -6.744 7.661 16.184 1.00 0.00 H new ATOM 48 N SER A 6 -7.810 11.274 16.665 1.00 0.00 N ATOM 49 CA SER A 6 -7.575 12.155 15.528 1.00 0.00 C ATOM 50 C SER A 6 -6.111 12.110 15.098 1.00 0.00 C ATOM 51 O SER A 6 -5.239 11.712 15.869 1.00 0.00 O ATOM 52 CB SER A 6 -7.971 13.591 15.877 1.00 0.00 C ATOM 53 OG SER A 6 -7.268 14.051 17.018 1.00 0.00 O ATOM 0 H SER A 6 -8.033 11.758 17.535 1.00 0.00 H new ATOM 0 HA SER A 6 -8.190 11.807 14.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.763 14.245 15.030 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.044 13.641 16.063 1.00 0.00 H new ATOM 0 HG SER A 6 -7.538 14.971 17.219 1.00 0.00 H new ATOM 59 N GLY A 7 -5.851 12.522 13.861 1.00 0.00 N ATOM 60 CA GLY A 7 -4.493 12.520 13.349 1.00 0.00 C ATOM 61 C GLY A 7 -4.409 11.998 11.929 1.00 0.00 C ATOM 62 O GLY A 7 -5.264 11.228 11.492 1.00 0.00 O ATOM 0 H GLY A 7 -6.556 12.857 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.093 13.533 13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.865 11.907 13.996 1.00 0.00 H new ATOM 66 N MET A 8 -3.377 12.420 11.205 1.00 0.00 N ATOM 67 CA MET A 8 -3.186 11.989 9.825 1.00 0.00 C ATOM 68 C MET A 8 -2.859 10.501 9.760 1.00 0.00 C ATOM 69 O MET A 8 -2.365 9.921 10.727 1.00 0.00 O ATOM 70 CB MET A 8 -2.066 12.798 9.167 1.00 0.00 C ATOM 71 CG MET A 8 -0.685 12.486 9.719 1.00 0.00 C ATOM 72 SD MET A 8 0.442 13.889 9.605 1.00 0.00 S ATOM 73 CE MET A 8 -0.429 15.105 10.591 1.00 0.00 C ATOM 0 H MET A 8 -2.661 13.059 11.551 1.00 0.00 H new ATOM 0 HA MET A 8 -4.117 12.162 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.072 12.605 8.094 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.270 13.860 9.300 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.775 12.181 10.762 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.263 11.641 9.175 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.292 15.743 11.102 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.059 15.715 9.943 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.051 14.598 11.329 1.00 0.00 H new ATOM 83 N ALA A 9 -3.138 9.888 8.614 1.00 0.00 N ATOM 84 CA ALA A 9 -2.872 8.468 8.423 1.00 0.00 C ATOM 85 C ALA A 9 -2.747 8.127 6.942 1.00 0.00 C ATOM 86 O ALA A 9 -2.869 9.000 6.082 1.00 0.00 O ATOM 87 CB ALA A 9 -3.969 7.634 9.068 1.00 0.00 C ATOM 0 H ALA A 9 -3.548 10.353 7.804 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.922 8.234 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.757 6.575 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.008 7.848 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.928 7.880 8.613 1.00 0.00 H new ATOM 93 N ILE A 10 -2.502 6.854 6.651 1.00 0.00 N ATOM 94 CA ILE A 10 -2.362 6.399 5.273 1.00 0.00 C ATOM 95 C ILE A 10 -3.537 6.861 4.419 1.00 0.00 C ATOM 96 O ILE A 10 -4.692 6.790 4.841 1.00 0.00 O ATOM 97 CB ILE A 10 -2.257 4.864 5.195 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.069 4.369 6.023 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.124 4.415 3.747 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.417 4.084 7.467 1.00 0.00 C ATOM 0 H ILE A 10 -2.396 6.119 7.351 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.442 6.838 4.888 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.168 4.431 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.672 3.462 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.276 5.116 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.051 3.328 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.999 4.740 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.227 4.855 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.528 3.737 7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.786 4.995 7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.188 3.315 7.510 1.00 0.00 H new ATOM 112 N LEU A 11 -3.236 7.334 3.214 1.00 0.00 N ATOM 113 CA LEU A 11 -4.268 7.806 2.298 1.00 0.00 C ATOM 114 C LEU A 11 -4.328 6.934 1.048 1.00 0.00 C ATOM 115 O LEU A 11 -5.406 6.658 0.522 1.00 0.00 O ATOM 116 CB LEU A 11 -4.002 9.261 1.906 1.00 0.00 C ATOM 117 CG LEU A 11 -4.240 10.305 2.997 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.483 11.586 2.684 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.728 10.586 3.151 1.00 0.00 C ATOM 0 H LEU A 11 -2.286 7.401 2.849 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.229 7.743 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.968 9.343 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.633 9.507 1.052 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.866 9.908 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.664 12.317 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.416 11.373 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.826 11.987 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.879 11.331 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.127 10.962 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.246 9.666 3.423 1.00 0.00 H new ATOM 131 N PHE A 12 -3.162 6.500 0.580 1.00 0.00 N ATOM 132 CA PHE A 12 -3.082 5.656 -0.607 1.00 0.00 C ATOM 133 C PHE A 12 -2.396 4.332 -0.288 1.00 0.00 C ATOM 134 O PHE A 12 -1.215 4.300 0.059 1.00 0.00 O ATOM 135 CB PHE A 12 -2.325 6.380 -1.723 1.00 0.00 C ATOM 136 CG PHE A 12 -2.406 5.684 -3.052 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.441 5.960 -3.931 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.447 4.756 -3.422 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.519 5.320 -5.153 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.519 4.113 -4.644 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.555 4.397 -5.511 1.00 0.00 C ATOM 0 H PHE A 12 -2.260 6.719 1.004 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.098 5.447 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.723 7.389 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.278 6.478 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.195 6.683 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.633 4.532 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.333 5.541 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.766 3.390 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.612 3.899 -6.467 1.00 0.00 H new ATOM 151 N ALA A 13 -3.145 3.240 -0.408 1.00 0.00 N ATOM 152 CA ALA A 13 -2.609 1.912 -0.133 1.00 0.00 C ATOM 153 C ALA A 13 -3.111 0.896 -1.154 1.00 0.00 C ATOM 154 O ALA A 13 -4.303 0.591 -1.205 1.00 0.00 O ATOM 155 CB ALA A 13 -2.979 1.475 1.276 1.00 0.00 C ATOM 0 H ALA A 13 -4.124 3.249 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.523 1.961 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.572 0.482 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.566 2.181 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.064 1.448 1.375 1.00 0.00 H new ATOM 161 N VAL A 14 -2.195 0.377 -1.965 1.00 0.00 N ATOM 162 CA VAL A 14 -2.546 -0.605 -2.984 1.00 0.00 C ATOM 163 C VAL A 14 -1.541 -1.752 -3.010 1.00 0.00 C ATOM 164 O VAL A 14 -0.388 -1.590 -2.611 1.00 0.00 O ATOM 165 CB VAL A 14 -2.613 0.036 -4.382 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.249 1.416 -4.307 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.225 0.113 -5.000 1.00 0.00 C ATOM 0 H VAL A 14 -1.205 0.620 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.531 -0.994 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.236 -0.591 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.288 1.853 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.260 1.330 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.655 2.055 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.291 0.569 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.577 0.717 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.811 -0.891 -5.091 1.00 0.00 H new ATOM 177 N VAL A 15 -1.987 -2.911 -3.484 1.00 0.00 N ATOM 178 CA VAL A 15 -1.126 -4.086 -3.565 1.00 0.00 C ATOM 179 C VAL A 15 -0.806 -4.434 -5.014 1.00 0.00 C ATOM 180 O VAL A 15 -1.702 -4.528 -5.853 1.00 0.00 O ATOM 181 CB VAL A 15 -1.778 -5.306 -2.887 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.923 -6.548 -3.089 1.00 0.00 C ATOM 183 CG2 VAL A 15 -2.001 -5.037 -1.407 1.00 0.00 C ATOM 0 H VAL A 15 -2.939 -3.062 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.202 -3.839 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.749 -5.482 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.399 -7.400 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.820 -6.749 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.063 -6.386 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.462 -5.909 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.044 -4.834 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.657 -4.174 -1.289 1.00 0.00 H new ATOM 193 N ALA A 16 0.477 -4.624 -5.301 1.00 0.00 N ATOM 194 CA ALA A 16 0.916 -4.964 -6.649 1.00 0.00 C ATOM 195 C ALA A 16 2.070 -5.960 -6.615 1.00 0.00 C ATOM 196 O ALA A 16 3.099 -5.712 -5.985 1.00 0.00 O ATOM 197 CB ALA A 16 1.323 -3.708 -7.405 1.00 0.00 C ATOM 0 H ALA A 16 1.231 -4.548 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 16 0.080 -5.433 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.648 -3.978 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.472 -3.030 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.141 -3.215 -6.879 1.00 0.00 H new ATOM 203 N ARG A 17 1.893 -7.087 -7.297 1.00 0.00 N ATOM 204 CA ARG A 17 2.919 -8.122 -7.343 1.00 0.00 C ATOM 205 C ARG A 17 4.009 -7.762 -8.349 1.00 0.00 C ATOM 206 O ARG A 17 3.817 -7.886 -9.558 1.00 0.00 O ATOM 207 CB ARG A 17 2.298 -9.471 -7.709 1.00 0.00 C ATOM 208 CG ARG A 17 1.287 -9.389 -8.840 1.00 0.00 C ATOM 209 CD ARG A 17 1.239 -10.682 -9.639 1.00 0.00 C ATOM 210 NE ARG A 17 0.129 -10.698 -10.588 1.00 0.00 N ATOM 211 CZ ARG A 17 0.085 -11.489 -11.654 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.083 -12.325 -11.906 1.00 0.00 N ATOM 213 NH2 ARG A 17 -0.960 -11.446 -12.472 1.00 0.00 N ATOM 0 H ARG A 17 1.049 -7.307 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 17 3.370 -8.195 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.092 -10.162 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.811 -9.889 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.299 -9.175 -8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.545 -8.561 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.178 -10.811 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.145 -11.527 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.655 -10.067 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.888 -12.362 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.046 -12.931 -12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.730 -10.805 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.992 -12.054 -13.290 1.00 0.00 H new ATOM 227 N GLY A 18 5.153 -7.315 -7.840 1.00 0.00 N ATOM 228 CA GLY A 18 6.256 -6.944 -8.707 1.00 0.00 C ATOM 229 C GLY A 18 5.977 -5.676 -9.489 1.00 0.00 C ATOM 230 O GLY A 18 6.359 -4.582 -9.072 1.00 0.00 O ATOM 0 H GLY A 18 5.336 -7.203 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.156 -6.807 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.458 -7.759 -9.402 1.00 0.00 H new ATOM 234 N THR A 19 5.308 -5.821 -10.630 1.00 0.00 N ATOM 235 CA THR A 19 4.981 -4.679 -11.474 1.00 0.00 C ATOM 236 C THR A 19 3.497 -4.661 -11.823 1.00 0.00 C ATOM 237 O THR A 19 2.997 -3.699 -12.407 1.00 0.00 O ATOM 238 CB THR A 19 5.803 -4.689 -12.776 1.00 0.00 C ATOM 239 OG1 THR A 19 6.100 -6.036 -13.158 1.00 0.00 O ATOM 240 CG2 THR A 19 7.097 -3.907 -12.605 1.00 0.00 C ATOM 0 H THR A 19 4.983 -6.718 -10.990 1.00 0.00 H new ATOM 0 HA THR A 19 5.229 -3.783 -10.904 1.00 0.00 H new ATOM 0 HB THR A 19 5.210 -4.213 -13.557 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.621 -6.033 -13.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.661 -3.928 -13.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.866 -2.874 -12.344 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.692 -4.358 -11.811 1.00 0.00 H new ATOM 248 N THR A 20 2.795 -5.730 -11.460 1.00 0.00 N ATOM 249 CA THR A 20 1.368 -5.838 -11.736 1.00 0.00 C ATOM 250 C THR A 20 0.543 -5.514 -10.495 1.00 0.00 C ATOM 251 O THR A 20 0.899 -5.903 -9.383 1.00 0.00 O ATOM 252 CB THR A 20 0.996 -7.247 -12.233 1.00 0.00 C ATOM 253 OG1 THR A 20 1.638 -7.510 -13.485 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.511 -7.385 -12.390 1.00 0.00 C ATOM 0 H THR A 20 3.192 -6.534 -10.974 1.00 0.00 H new ATOM 0 HA THR A 20 1.142 -5.114 -12.519 1.00 0.00 H new ATOM 0 HB THR A 20 1.336 -7.971 -11.493 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.398 -8.409 -13.793 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.750 -8.389 -12.742 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.994 -7.213 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.870 -6.652 -13.112 1.00 0.00 H new ATOM 262 N ILE A 21 -0.561 -4.802 -10.694 1.00 0.00 N ATOM 263 CA ILE A 21 -1.437 -4.428 -9.590 1.00 0.00 C ATOM 264 C ILE A 21 -2.632 -5.370 -9.495 1.00 0.00 C ATOM 265 O ILE A 21 -3.393 -5.525 -10.451 1.00 0.00 O ATOM 266 CB ILE A 21 -1.947 -2.983 -9.741 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.771 -2.017 -9.895 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.805 -2.596 -8.545 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.190 -0.606 -10.243 1.00 0.00 C ATOM 0 H ILE A 21 -0.870 -4.473 -11.609 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.845 -4.502 -8.678 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.562 -2.923 -10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.202 -2.000 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.103 -2.391 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.158 -1.572 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.660 -3.269 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.212 -2.670 -7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.305 0.024 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.734 -0.610 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.833 -0.213 -9.456 1.00 0.00 H new ATOM 281 N LEU A 22 -2.793 -5.996 -8.334 1.00 0.00 N ATOM 282 CA LEU A 22 -3.898 -6.923 -8.111 1.00 0.00 C ATOM 283 C LEU A 22 -5.118 -6.193 -7.558 1.00 0.00 C ATOM 284 O LEU A 22 -6.198 -6.233 -8.146 1.00 0.00 O ATOM 285 CB LEU A 22 -3.473 -8.032 -7.148 1.00 0.00 C ATOM 286 CG LEU A 22 -2.323 -8.924 -7.617 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.794 -9.764 -6.465 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.772 -9.814 -8.766 1.00 0.00 C ATOM 0 H LEU A 22 -2.173 -5.879 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.167 -7.367 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.188 -7.574 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.338 -8.664 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.516 -8.284 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.976 -10.392 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.432 -9.108 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.594 -10.394 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.940 -10.442 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.597 -10.445 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.101 -9.194 -9.600 1.00 0.00 H new ATOM 300 N ALA A 23 -4.936 -5.524 -6.424 1.00 0.00 N ATOM 301 CA ALA A 23 -6.020 -4.781 -5.793 1.00 0.00 C ATOM 302 C ALA A 23 -5.564 -3.385 -5.383 1.00 0.00 C ATOM 303 O ALA A 23 -4.477 -3.213 -4.832 1.00 0.00 O ATOM 304 CB ALA A 23 -6.548 -5.542 -4.585 1.00 0.00 C ATOM 0 H ALA A 23 -4.048 -5.481 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.824 -4.672 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.357 -4.976 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.922 -6.515 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.744 -5.681 -3.862 1.00 0.00 H new ATOM 310 N LYS A 24 -6.401 -2.390 -5.658 1.00 0.00 N ATOM 311 CA LYS A 24 -6.084 -1.008 -5.318 1.00 0.00 C ATOM 312 C LYS A 24 -7.293 -0.308 -4.705 1.00 0.00 C ATOM 313 O LYS A 24 -8.430 -0.535 -5.119 1.00 0.00 O ATOM 314 CB LYS A 24 -5.618 -0.249 -6.562 1.00 0.00 C ATOM 315 CG LYS A 24 -6.584 -0.346 -7.731 1.00 0.00 C ATOM 316 CD LYS A 24 -6.254 0.669 -8.812 1.00 0.00 C ATOM 317 CE LYS A 24 -7.502 1.110 -9.562 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.135 2.301 -8.931 1.00 0.00 N ATOM 0 H LYS A 24 -7.304 -2.515 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.279 -1.016 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.476 0.801 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.647 -0.636 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.548 -1.351 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.602 -0.184 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.772 1.537 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.541 0.236 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.242 1.341 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.219 0.289 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.982 2.571 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.406 2.073 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.460 3.092 -8.928 1.00 0.00 H new ATOM 332 N HIS A 25 -7.039 0.545 -3.718 1.00 0.00 N ATOM 333 CA HIS A 25 -8.107 1.280 -3.049 1.00 0.00 C ATOM 334 C HIS A 25 -7.549 2.485 -2.297 1.00 0.00 C ATOM 335 O HIS A 25 -6.856 2.334 -1.292 1.00 0.00 O ATOM 336 CB HIS A 25 -8.858 0.364 -2.083 1.00 0.00 C ATOM 337 CG HIS A 25 -9.901 1.072 -1.274 1.00 0.00 C ATOM 338 ND1 HIS A 25 -9.649 1.617 -0.032 1.00 0.00 N ATOM 339 CD2 HIS A 25 -11.204 1.326 -1.537 1.00 0.00 C ATOM 340 CE1 HIS A 25 -10.753 2.173 0.435 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.711 2.011 -0.460 1.00 0.00 N ATOM 0 H HIS A 25 -6.104 0.744 -3.364 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.800 1.638 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.332 -0.438 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.142 -0.104 -1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.745 1.043 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.855 2.674 1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.672 2.341 -0.366 1.00 0.00 H new ATOM 350 N ALA A 26 -7.857 3.679 -2.791 1.00 0.00 N ATOM 351 CA ALA A 26 -7.388 4.909 -2.165 1.00 0.00 C ATOM 352 C ALA A 26 -8.535 5.892 -1.957 1.00 0.00 C ATOM 353 O ALA A 26 -9.617 5.725 -2.519 1.00 0.00 O ATOM 354 CB ALA A 26 -6.292 5.545 -3.008 1.00 0.00 C ATOM 0 H ALA A 26 -8.429 3.821 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.979 4.656 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.951 6.463 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.456 4.852 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.683 5.777 -3.999 1.00 0.00 H new ATOM 360 N TRP A 27 -8.292 6.915 -1.146 1.00 0.00 N ATOM 361 CA TRP A 27 -9.306 7.924 -0.863 1.00 0.00 C ATOM 362 C TRP A 27 -9.485 8.863 -2.050 1.00 0.00 C ATOM 363 O TRP A 27 -8.573 9.037 -2.859 1.00 0.00 O ATOM 364 CB TRP A 27 -8.925 8.724 0.384 1.00 0.00 C ATOM 365 CG TRP A 27 -9.102 7.958 1.659 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.441 6.821 2.031 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.999 8.271 2.730 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.874 6.409 3.268 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.829 7.282 3.719 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.928 9.291 2.951 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.555 7.285 4.907 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.648 9.293 4.130 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.458 8.296 5.096 1.00 0.00 C ATOM 0 H TRP A 27 -7.401 7.068 -0.673 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.252 7.413 -0.683 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.885 9.040 0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.531 9.629 0.425 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.689 6.320 1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.539 5.586 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.081 10.064 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.411 6.517 5.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.369 10.076 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.036 8.326 6.008 1.00 0.00 H new ATOM 384 N CYS A 28 -10.665 9.466 -2.149 1.00 0.00 N ATOM 385 CA CYS A 28 -10.963 10.388 -3.239 1.00 0.00 C ATOM 386 C CYS A 28 -10.260 11.725 -3.029 1.00 0.00 C ATOM 387 O CYS A 28 -10.484 12.404 -2.028 1.00 0.00 O ATOM 388 CB CYS A 28 -12.473 10.604 -3.353 1.00 0.00 C ATOM 389 SG CYS A 28 -13.242 11.250 -1.850 1.00 0.00 S ATOM 0 H CYS A 28 -11.430 9.333 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.595 9.947 -4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.670 11.294 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.946 9.657 -3.612 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.415 12.055 -1.251 1.00 0.00 H new ATOM 395 N GLY A 29 -9.407 12.096 -3.979 1.00 0.00 N ATOM 396 CA GLY A 29 -8.683 13.349 -3.878 1.00 0.00 C ATOM 397 C GLY A 29 -7.797 13.605 -5.081 1.00 0.00 C ATOM 398 O GLY A 29 -8.077 14.488 -5.890 1.00 0.00 O ATOM 0 H GLY A 29 -9.205 11.551 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.394 14.169 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.072 13.340 -2.976 1.00 0.00 H new ATOM 402 N GLY A 30 -6.722 12.832 -5.198 1.00 0.00 N ATOM 403 CA GLY A 30 -5.807 12.997 -6.313 1.00 0.00 C ATOM 404 C GLY A 30 -5.478 11.682 -6.992 1.00 0.00 C ATOM 405 O GLY A 30 -6.147 10.675 -6.766 1.00 0.00 O ATOM 0 H GLY A 30 -6.468 12.094 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.246 13.679 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.886 13.460 -5.958 1.00 0.00 H new ATOM 409 N ASN A 31 -4.445 11.692 -7.828 1.00 0.00 N ATOM 410 CA ASN A 31 -4.029 10.492 -8.544 1.00 0.00 C ATOM 411 C ASN A 31 -2.648 10.035 -8.085 1.00 0.00 C ATOM 412 O ASN A 31 -1.633 10.625 -8.454 1.00 0.00 O ATOM 413 CB ASN A 31 -4.018 10.751 -10.052 1.00 0.00 C ATOM 414 CG ASN A 31 -4.052 9.467 -10.859 1.00 0.00 C ATOM 415 OD1 ASN A 31 -4.406 8.406 -10.345 1.00 0.00 O ATOM 416 ND2 ASN A 31 -3.682 9.559 -12.132 1.00 0.00 N ATOM 0 H ASN A 31 -3.881 12.518 -8.026 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.745 9.701 -8.323 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.877 11.367 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.125 11.318 -10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.684 8.729 -12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.396 10.460 -12.516 1.00 0.00 H new ATOM 423 N PHE A 32 -2.618 8.979 -7.279 1.00 0.00 N ATOM 424 CA PHE A 32 -1.362 8.442 -6.768 1.00 0.00 C ATOM 425 C PHE A 32 -0.929 7.217 -7.569 1.00 0.00 C ATOM 426 O PHE A 32 0.262 6.998 -7.794 1.00 0.00 O ATOM 427 CB PHE A 32 -1.502 8.076 -5.290 1.00 0.00 C ATOM 428 CG PHE A 32 -1.157 9.201 -4.357 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.150 9.647 -4.243 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.139 9.814 -3.596 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.471 10.683 -3.385 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.824 10.850 -2.737 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.518 11.285 -2.632 1.00 0.00 C ATOM 0 H PHE A 32 -3.449 8.478 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.597 9.212 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.527 7.758 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.858 7.224 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.927 9.180 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.163 9.478 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.494 11.021 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.599 11.319 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.270 12.095 -1.962 1.00 0.00 H new ATOM 443 N LEU A 33 -1.903 6.422 -7.995 1.00 0.00 N ATOM 444 CA LEU A 33 -1.625 5.218 -8.770 1.00 0.00 C ATOM 445 C LEU A 33 -0.516 5.470 -9.787 1.00 0.00 C ATOM 446 O LEU A 33 0.285 4.582 -10.078 1.00 0.00 O ATOM 447 CB LEU A 33 -2.890 4.744 -9.486 1.00 0.00 C ATOM 448 CG LEU A 33 -2.838 3.336 -10.081 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.697 2.297 -8.980 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.079 3.064 -10.918 1.00 0.00 C ATOM 0 H LEU A 33 -2.893 6.589 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.293 4.441 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.720 4.788 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.115 5.447 -10.288 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.965 3.269 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.662 1.301 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.778 2.480 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.550 2.364 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.024 2.058 -11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.967 3.150 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.136 3.789 -11.730 1.00 0.00 H new ATOM 462 N GLU A 34 -0.475 6.686 -10.321 1.00 0.00 N ATOM 463 CA GLU A 34 0.537 7.054 -11.304 1.00 0.00 C ATOM 464 C GLU A 34 1.940 6.906 -10.723 1.00 0.00 C ATOM 465 O GLU A 34 2.710 6.041 -11.140 1.00 0.00 O ATOM 466 CB GLU A 34 0.320 8.492 -11.780 1.00 0.00 C ATOM 467 CG GLU A 34 1.005 8.808 -13.098 1.00 0.00 C ATOM 468 CD GLU A 34 0.441 10.046 -13.768 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.801 11.165 -13.348 1.00 0.00 O ATOM 470 OE2 GLU A 34 -0.362 9.894 -14.713 1.00 0.00 O ATOM 0 H GLU A 34 -1.130 7.433 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 34 0.441 6.379 -12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.750 8.674 -11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.687 9.178 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.072 8.948 -12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.901 7.956 -13.770 1.00 0.00 H new ATOM 477 N VAL A 35 2.267 7.758 -9.756 1.00 0.00 N ATOM 478 CA VAL A 35 3.576 7.723 -9.115 1.00 0.00 C ATOM 479 C VAL A 35 3.873 6.340 -8.547 1.00 0.00 C ATOM 480 O VAL A 35 4.978 5.818 -8.700 1.00 0.00 O ATOM 481 CB VAL A 35 3.675 8.763 -7.983 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.552 8.565 -6.977 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.033 8.681 -7.302 1.00 0.00 C ATOM 0 H VAL A 35 1.643 8.481 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 35 4.311 7.963 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 35 3.571 9.758 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.638 9.309 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.591 8.678 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.621 7.566 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.086 9.423 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.169 7.685 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.818 8.877 -8.032 1.00 0.00 H new ATOM 493 N THR A 36 2.879 5.749 -7.891 1.00 0.00 N ATOM 494 CA THR A 36 3.033 4.426 -7.300 1.00 0.00 C ATOM 495 C THR A 36 3.502 3.412 -8.336 1.00 0.00 C ATOM 496 O THR A 36 4.478 2.695 -8.118 1.00 0.00 O ATOM 497 CB THR A 36 1.714 3.933 -6.675 1.00 0.00 C ATOM 498 OG1 THR A 36 1.273 4.853 -5.670 1.00 0.00 O ATOM 499 CG2 THR A 36 1.889 2.552 -6.063 1.00 0.00 C ATOM 0 H THR A 36 1.958 6.166 -7.756 1.00 0.00 H new ATOM 0 HA THR A 36 3.786 4.515 -6.517 1.00 0.00 H new ATOM 0 HB THR A 36 0.965 3.872 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.361 4.624 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.945 2.225 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.196 1.848 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.652 2.593 -5.286 1.00 0.00 H new ATOM 507 N GLU A 37 2.800 3.357 -9.464 1.00 0.00 N ATOM 508 CA GLU A 37 3.147 2.429 -10.534 1.00 0.00 C ATOM 509 C GLU A 37 4.595 2.621 -10.973 1.00 0.00 C ATOM 510 O GLU A 37 5.378 1.672 -10.997 1.00 0.00 O ATOM 511 CB GLU A 37 2.210 2.621 -11.729 1.00 0.00 C ATOM 512 CG GLU A 37 0.895 1.871 -11.598 1.00 0.00 C ATOM 513 CD GLU A 37 0.192 1.691 -12.929 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.441 2.658 -13.402 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.274 0.582 -13.498 1.00 0.00 O ATOM 0 H GLU A 37 1.989 3.943 -9.660 1.00 0.00 H new ATOM 0 HA GLU A 37 3.034 1.415 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.002 3.684 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.718 2.291 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.081 0.893 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.239 2.411 -10.915 1.00 0.00 H new ATOM 522 N GLN A 38 4.943 3.856 -11.320 1.00 0.00 N ATOM 523 CA GLN A 38 6.297 4.173 -11.760 1.00 0.00 C ATOM 524 C GLN A 38 7.331 3.582 -10.807 1.00 0.00 C ATOM 525 O GLN A 38 8.327 3.000 -11.240 1.00 0.00 O ATOM 526 CB GLN A 38 6.483 5.688 -11.858 1.00 0.00 C ATOM 527 CG GLN A 38 5.625 6.338 -12.931 1.00 0.00 C ATOM 528 CD GLN A 38 6.268 7.578 -13.520 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.837 7.538 -14.611 1.00 0.00 O ATOM 530 NE2 GLN A 38 6.180 8.690 -12.799 1.00 0.00 N ATOM 0 H GLN A 38 4.307 4.653 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 38 6.444 3.732 -12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.247 6.138 -10.894 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.532 5.905 -12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.438 5.617 -13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.657 6.602 -12.506 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.699 8.678 -11.900 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.593 9.556 -13.145 1.00 0.00 H new ATOM 539 N ILE A 39 7.089 3.735 -9.510 1.00 0.00 N ATOM 540 CA ILE A 39 7.999 3.215 -8.497 1.00 0.00 C ATOM 541 C ILE A 39 8.080 1.694 -8.559 1.00 0.00 C ATOM 542 O ILE A 39 9.168 1.117 -8.522 1.00 0.00 O ATOM 543 CB ILE A 39 7.565 3.638 -7.081 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.554 5.163 -6.961 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.489 3.026 -6.039 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.934 5.769 -6.832 1.00 0.00 C ATOM 0 H ILE A 39 6.270 4.215 -9.136 1.00 0.00 H new ATOM 0 HA ILE A 39 8.981 3.637 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 39 6.554 3.271 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.061 5.585 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.959 5.447 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.169 3.334 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.451 1.939 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.510 3.366 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.849 6.853 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.422 5.376 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.526 5.516 -7.711 1.00 0.00 H new ATOM 558 N LEU A 40 6.923 1.049 -8.654 1.00 0.00 N ATOM 559 CA LEU A 40 6.862 -0.407 -8.723 1.00 0.00 C ATOM 560 C LEU A 40 7.763 -0.938 -9.834 1.00 0.00 C ATOM 561 O LEU A 40 8.506 -1.899 -9.638 1.00 0.00 O ATOM 562 CB LEU A 40 5.421 -0.867 -8.956 1.00 0.00 C ATOM 563 CG LEU A 40 4.449 -0.639 -7.798 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.045 -1.078 -8.187 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.917 -1.382 -6.555 1.00 0.00 C ATOM 0 H LEU A 40 6.014 1.511 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 40 7.215 -0.806 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.034 -0.352 -9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.434 -1.932 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 40 4.425 0.427 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.366 -0.909 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.710 -0.502 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.052 -2.138 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.213 -1.208 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.970 -2.450 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.904 -1.021 -6.265 1.00 0.00 H new ATOM 577 N ALA A 41 7.693 -0.303 -10.999 1.00 0.00 N ATOM 578 CA ALA A 41 8.505 -0.708 -12.140 1.00 0.00 C ATOM 579 C ALA A 41 9.992 -0.550 -11.839 1.00 0.00 C ATOM 580 O ALA A 41 10.843 -0.986 -12.614 1.00 0.00 O ATOM 581 CB ALA A 41 8.125 0.100 -13.372 1.00 0.00 C ATOM 0 H ALA A 41 7.082 0.494 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 41 8.311 -1.762 -12.337 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.739 -0.213 -14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.074 -0.067 -13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.289 1.160 -13.177 1.00 0.00 H new ATOM 587 N LYS A 42 10.298 0.078 -10.709 1.00 0.00 N ATOM 588 CA LYS A 42 11.682 0.294 -10.304 1.00 0.00 C ATOM 589 C LYS A 42 12.058 -0.621 -9.142 1.00 0.00 C ATOM 590 O LYS A 42 13.227 -0.964 -8.964 1.00 0.00 O ATOM 591 CB LYS A 42 11.897 1.756 -9.906 1.00 0.00 C ATOM 592 CG LYS A 42 12.076 2.689 -11.091 1.00 0.00 C ATOM 593 CD LYS A 42 12.032 4.146 -10.665 1.00 0.00 C ATOM 594 CE LYS A 42 11.906 5.074 -11.864 1.00 0.00 C ATOM 595 NZ LYS A 42 13.223 5.329 -12.509 1.00 0.00 N ATOM 0 H LYS A 42 9.606 0.447 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 42 12.324 0.057 -11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.045 2.092 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.776 1.824 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.028 2.480 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.293 2.500 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.190 4.304 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.936 4.391 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.224 4.636 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.468 6.020 -11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.094 5.965 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.866 5.771 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.630 4.429 -12.835 1.00 0.00 H new ATOM 609 N ILE A 43 11.061 -1.012 -8.356 1.00 0.00 N ATOM 610 CA ILE A 43 11.288 -1.889 -7.214 1.00 0.00 C ATOM 611 C ILE A 43 11.348 -3.350 -7.646 1.00 0.00 C ATOM 612 O ILE A 43 10.474 -3.851 -8.353 1.00 0.00 O ATOM 613 CB ILE A 43 10.186 -1.724 -6.151 1.00 0.00 C ATOM 614 CG1 ILE A 43 10.167 -0.289 -5.622 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.397 -2.711 -5.013 1.00 0.00 C ATOM 616 CD1 ILE A 43 9.002 0.001 -4.701 1.00 0.00 C ATOM 0 H ILE A 43 10.088 -0.735 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 43 12.246 -1.602 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 43 9.221 -1.933 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.098 -0.095 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.133 0.400 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.610 -2.582 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.365 -3.728 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.367 -2.530 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.053 1.037 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.066 -0.161 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.046 -0.663 -3.838 1.00 0.00 H new ATOM 628 N PRO A 44 12.404 -4.052 -7.210 1.00 0.00 N ATOM 629 CA PRO A 44 12.603 -5.467 -7.537 1.00 0.00 C ATOM 630 C PRO A 44 11.591 -6.371 -6.841 1.00 0.00 C ATOM 631 O PRO A 44 10.600 -5.897 -6.286 1.00 0.00 O ATOM 632 CB PRO A 44 14.017 -5.755 -7.024 1.00 0.00 C ATOM 633 CG PRO A 44 14.239 -4.752 -5.945 1.00 0.00 C ATOM 634 CD PRO A 44 13.485 -3.520 -6.363 1.00 0.00 C ATOM 0 HA PRO A 44 12.473 -5.661 -8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.100 -6.773 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.755 -5.652 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.878 -5.124 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.301 -4.537 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.092 -2.978 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.122 -2.826 -6.912 1.00 0.00 H new ATOM 642 N SER A 45 11.846 -7.675 -6.876 1.00 0.00 N ATOM 643 CA SER A 45 10.955 -8.646 -6.251 1.00 0.00 C ATOM 644 C SER A 45 11.627 -9.307 -5.052 1.00 0.00 C ATOM 645 O SER A 45 10.958 -9.741 -4.114 1.00 0.00 O ATOM 646 CB SER A 45 10.535 -9.710 -7.266 1.00 0.00 C ATOM 647 OG SER A 45 10.498 -9.177 -8.579 1.00 0.00 O ATOM 0 H SER A 45 12.662 -8.084 -7.331 1.00 0.00 H new ATOM 0 HA SER A 45 10.068 -8.117 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.232 -10.547 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.553 -10.102 -7.001 1.00 0.00 H new ATOM 0 HG SER A 45 10.228 -9.878 -9.209 1.00 0.00 H new ATOM 653 N GLU A 46 12.954 -9.381 -5.091 1.00 0.00 N ATOM 654 CA GLU A 46 13.716 -9.990 -4.007 1.00 0.00 C ATOM 655 C GLU A 46 13.325 -9.388 -2.661 1.00 0.00 C ATOM 656 O GLU A 46 13.015 -8.201 -2.567 1.00 0.00 O ATOM 657 CB GLU A 46 15.217 -9.807 -4.244 1.00 0.00 C ATOM 658 CG GLU A 46 15.605 -8.386 -4.617 1.00 0.00 C ATOM 659 CD GLU A 46 15.987 -7.550 -3.410 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.359 -8.141 -2.374 1.00 0.00 O ATOM 661 OE2 GLU A 46 15.915 -6.307 -3.502 1.00 0.00 O ATOM 0 H GLU A 46 13.523 -9.027 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 46 13.485 -11.055 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.757 -10.097 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.536 -10.482 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.442 -8.413 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.773 -7.910 -5.135 1.00 0.00 H new ATOM 668 N ASN A 47 13.342 -10.216 -1.621 1.00 0.00 N ATOM 669 CA ASN A 47 12.989 -9.766 -0.280 1.00 0.00 C ATOM 670 C ASN A 47 13.901 -8.629 0.171 1.00 0.00 C ATOM 671 O ASN A 47 15.081 -8.840 0.449 1.00 0.00 O ATOM 672 CB ASN A 47 13.077 -10.929 0.710 1.00 0.00 C ATOM 673 CG ASN A 47 14.505 -11.389 0.936 1.00 0.00 C ATOM 674 OD1 ASN A 47 15.353 -11.273 0.052 1.00 0.00 O ATOM 675 ND2 ASN A 47 14.776 -11.914 2.125 1.00 0.00 N ATOM 0 H ASN A 47 13.596 -11.202 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 47 11.964 -9.396 -0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.641 -10.626 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.483 -11.764 0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.719 -12.241 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.041 -11.990 2.828 1.00 0.00 H new ATOM 682 N ASN A 48 13.345 -7.424 0.241 1.00 0.00 N ATOM 683 CA ASN A 48 14.109 -6.253 0.658 1.00 0.00 C ATOM 684 C ASN A 48 13.200 -5.038 0.813 1.00 0.00 C ATOM 685 O ASN A 48 12.231 -4.875 0.071 1.00 0.00 O ATOM 686 CB ASN A 48 15.214 -5.951 -0.356 1.00 0.00 C ATOM 687 CG ASN A 48 14.713 -5.133 -1.531 1.00 0.00 C ATOM 688 OD1 ASN A 48 13.804 -5.550 -2.249 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.305 -3.962 -1.731 1.00 0.00 N ATOM 0 H ASN A 48 12.369 -7.232 0.015 1.00 0.00 H new ATOM 0 HA ASN A 48 14.562 -6.471 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.021 -5.412 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.634 -6.888 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.010 -3.367 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.055 -3.657 -1.110 1.00 0.00 H new ATOM 696 N LYS A 49 13.519 -4.187 1.782 1.00 0.00 N ATOM 697 CA LYS A 49 12.734 -2.984 2.035 1.00 0.00 C ATOM 698 C LYS A 49 13.638 -1.766 2.187 1.00 0.00 C ATOM 699 O LYS A 49 14.817 -1.892 2.521 1.00 0.00 O ATOM 700 CB LYS A 49 11.883 -3.162 3.294 1.00 0.00 C ATOM 701 CG LYS A 49 12.692 -3.524 4.528 1.00 0.00 C ATOM 702 CD LYS A 49 11.939 -3.191 5.805 1.00 0.00 C ATOM 703 CE LYS A 49 12.599 -3.822 7.022 1.00 0.00 C ATOM 704 NZ LYS A 49 13.818 -3.075 7.441 1.00 0.00 N ATOM 0 H LYS A 49 14.317 -4.308 2.406 1.00 0.00 H new ATOM 0 HA LYS A 49 12.078 -2.822 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.336 -2.239 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.142 -3.941 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.928 -4.588 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.640 -2.987 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.897 -2.109 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.910 -3.543 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.888 -3.849 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.865 -4.855 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.239 -3.536 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.507 -3.070 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.560 -2.096 7.681 1.00 0.00 H new ATOM 718 N LEU A 50 13.080 -0.586 1.940 1.00 0.00 N ATOM 719 CA LEU A 50 13.836 0.657 2.051 1.00 0.00 C ATOM 720 C LEU A 50 12.901 1.861 2.101 1.00 0.00 C ATOM 721 O LEU A 50 11.885 1.902 1.406 1.00 0.00 O ATOM 722 CB LEU A 50 14.802 0.796 0.873 1.00 0.00 C ATOM 723 CG LEU A 50 15.345 2.202 0.612 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.701 2.132 -0.073 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.362 3.005 -0.227 1.00 0.00 C ATOM 0 H LEU A 50 12.106 -0.464 1.661 1.00 0.00 H new ATOM 0 HA LEU A 50 14.406 0.625 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.646 0.127 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.296 0.450 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 50 15.471 2.706 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 50 17.071 3.142 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.403 1.595 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.601 1.609 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.764 4.003 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.204 2.504 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.412 3.085 0.302 1.00 0.00 H new ATOM 737 N THR A 51 13.251 2.842 2.927 1.00 0.00 N ATOM 738 CA THR A 51 12.444 4.047 3.067 1.00 0.00 C ATOM 739 C THR A 51 12.701 5.018 1.920 1.00 0.00 C ATOM 740 O THR A 51 13.778 5.606 1.822 1.00 0.00 O ATOM 741 CB THR A 51 12.728 4.761 4.403 1.00 0.00 C ATOM 742 OG1 THR A 51 12.923 3.796 5.442 1.00 0.00 O ATOM 743 CG2 THR A 51 11.582 5.690 4.774 1.00 0.00 C ATOM 0 H THR A 51 14.088 2.825 3.509 1.00 0.00 H new ATOM 0 HA THR A 51 11.401 3.733 3.046 1.00 0.00 H new ATOM 0 HB THR A 51 13.634 5.356 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.105 4.258 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.805 6.183 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.456 6.441 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.663 5.112 4.873 1.00 0.00 H new ATOM 751 N TYR A 52 11.706 5.181 1.056 1.00 0.00 N ATOM 752 CA TYR A 52 11.826 6.080 -0.086 1.00 0.00 C ATOM 753 C TYR A 52 11.091 7.391 0.173 1.00 0.00 C ATOM 754 O TYR A 52 9.898 7.397 0.475 1.00 0.00 O ATOM 755 CB TYR A 52 11.273 5.413 -1.347 1.00 0.00 C ATOM 756 CG TYR A 52 11.949 5.870 -2.620 1.00 0.00 C ATOM 757 CD1 TYR A 52 12.005 7.217 -2.955 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.531 4.954 -3.488 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.621 7.639 -4.117 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.151 5.368 -4.652 1.00 0.00 C ATOM 761 CZ TYR A 52 13.193 6.711 -4.962 1.00 0.00 C ATOM 762 OH TYR A 52 13.808 7.127 -6.121 1.00 0.00 O ATOM 0 H TYR A 52 10.808 4.703 1.124 1.00 0.00 H new ATOM 0 HA TYR A 52 12.883 6.300 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.384 4.333 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.205 5.619 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.559 7.947 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.498 3.901 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.655 8.690 -4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.600 4.643 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 52 14.160 6.349 -6.602 1.00 0.00 H new ATOM 772 N SER A 53 11.813 8.500 0.051 1.00 0.00 N ATOM 773 CA SER A 53 11.231 9.819 0.275 1.00 0.00 C ATOM 774 C SER A 53 11.026 10.554 -1.046 1.00 0.00 C ATOM 775 O SER A 53 11.986 10.990 -1.682 1.00 0.00 O ATOM 776 CB SER A 53 12.129 10.646 1.198 1.00 0.00 C ATOM 777 OG SER A 53 13.371 10.931 0.579 1.00 0.00 O ATOM 0 H SER A 53 12.801 8.512 -0.201 1.00 0.00 H new ATOM 0 HA SER A 53 10.259 9.684 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.627 11.578 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.299 10.103 2.128 1.00 0.00 H new ATOM 0 HG SER A 53 13.251 10.968 -0.393 1.00 0.00 H new ATOM 783 N HIS A 54 9.768 10.687 -1.453 1.00 0.00 N ATOM 784 CA HIS A 54 9.435 11.369 -2.698 1.00 0.00 C ATOM 785 C HIS A 54 8.600 12.617 -2.428 1.00 0.00 C ATOM 786 O HIS A 54 7.638 12.579 -1.663 1.00 0.00 O ATOM 787 CB HIS A 54 8.677 10.427 -3.634 1.00 0.00 C ATOM 788 CG HIS A 54 8.751 10.827 -5.075 1.00 0.00 C ATOM 789 ND1 HIS A 54 9.922 11.218 -5.689 1.00 0.00 N ATOM 790 CD2 HIS A 54 7.790 10.894 -6.026 1.00 0.00 C ATOM 791 CE1 HIS A 54 9.678 11.509 -6.954 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.392 11.320 -7.184 1.00 0.00 N ATOM 0 H HIS A 54 8.962 10.331 -0.939 1.00 0.00 H new ATOM 0 HA HIS A 54 10.366 11.673 -3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.078 9.419 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.631 10.389 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.744 10.657 -5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.407 11.844 -7.677 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.922 11.467 -8.077 1.00 0.00 H new ATOM 801 N GLY A 55 8.977 13.725 -3.060 1.00 0.00 N ATOM 802 CA GLY A 55 8.253 14.968 -2.874 1.00 0.00 C ATOM 803 C GLY A 55 7.994 15.275 -1.412 1.00 0.00 C ATOM 804 O GLY A 55 8.920 15.301 -0.603 1.00 0.00 O ATOM 0 H GLY A 55 9.771 13.783 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.821 15.785 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.302 14.914 -3.405 1.00 0.00 H new ATOM 808 N ASN A 56 6.730 15.508 -1.074 1.00 0.00 N ATOM 809 CA ASN A 56 6.351 15.817 0.301 1.00 0.00 C ATOM 810 C ASN A 56 5.547 14.674 0.913 1.00 0.00 C ATOM 811 O ASN A 56 4.552 14.901 1.602 1.00 0.00 O ATOM 812 CB ASN A 56 5.538 17.112 0.349 1.00 0.00 C ATOM 813 CG ASN A 56 6.251 18.268 -0.325 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.395 18.295 -1.547 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.700 19.231 0.472 1.00 0.00 N ATOM 0 H ASN A 56 5.951 15.489 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 56 7.263 15.948 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.575 16.951 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.333 17.371 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.187 20.035 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.558 19.166 1.480 1.00 0.00 H new ATOM 822 N TYR A 57 5.984 13.446 0.656 1.00 0.00 N ATOM 823 CA TYR A 57 5.304 12.268 1.180 1.00 0.00 C ATOM 824 C TYR A 57 6.270 11.094 1.308 1.00 0.00 C ATOM 825 O TYR A 57 7.217 10.966 0.532 1.00 0.00 O ATOM 826 CB TYR A 57 4.134 11.883 0.273 1.00 0.00 C ATOM 827 CG TYR A 57 2.948 12.814 0.388 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.958 14.062 -0.221 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.817 12.445 1.107 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.877 14.916 -0.118 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.731 13.291 1.214 1.00 0.00 C ATOM 832 CZ TYR A 57 0.766 14.526 0.600 1.00 0.00 C ATOM 833 OH TYR A 57 -0.314 15.373 0.705 1.00 0.00 O ATOM 0 H TYR A 57 6.806 13.241 0.088 1.00 0.00 H new ATOM 0 HA TYR A 57 4.922 12.511 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.476 11.870 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.815 10.870 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.826 14.370 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.787 11.480 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.902 15.884 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.141 12.988 1.775 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.013 14.946 1.243 1.00 0.00 H new ATOM 843 N LEU A 58 6.023 10.238 2.294 1.00 0.00 N ATOM 844 CA LEU A 58 6.869 9.072 2.526 1.00 0.00 C ATOM 845 C LEU A 58 6.337 7.856 1.775 1.00 0.00 C ATOM 846 O LEU A 58 5.159 7.513 1.882 1.00 0.00 O ATOM 847 CB LEU A 58 6.951 8.766 4.022 1.00 0.00 C ATOM 848 CG LEU A 58 7.575 9.854 4.896 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.419 9.511 6.370 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.044 10.044 4.544 1.00 0.00 C ATOM 0 H LEU A 58 5.244 10.330 2.946 1.00 0.00 H new ATOM 0 HA LEU A 58 7.868 9.298 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.944 8.568 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.524 7.849 4.154 1.00 0.00 H new ATOM 0 HG LEU A 58 7.051 10.791 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.869 10.297 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.360 9.426 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.916 8.563 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.472 10.822 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.581 9.109 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.133 10.337 3.498 1.00 0.00 H new ATOM 862 N PHE A 59 7.213 7.206 1.016 1.00 0.00 N ATOM 863 CA PHE A 59 6.833 6.026 0.248 1.00 0.00 C ATOM 864 C PHE A 59 7.476 4.769 0.828 1.00 0.00 C ATOM 865 O PHE A 59 8.618 4.438 0.507 1.00 0.00 O ATOM 866 CB PHE A 59 7.240 6.192 -1.217 1.00 0.00 C ATOM 867 CG PHE A 59 6.301 7.059 -2.006 1.00 0.00 C ATOM 868 CD1 PHE A 59 5.889 8.286 -1.511 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.831 6.647 -3.243 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.025 9.085 -2.235 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.966 7.442 -3.971 1.00 0.00 C ATOM 872 CZ PHE A 59 4.563 8.663 -3.467 1.00 0.00 C ATOM 0 H PHE A 59 8.191 7.477 0.916 1.00 0.00 H new ATOM 0 HA PHE A 59 5.750 5.918 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.241 6.621 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.293 5.209 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.247 8.621 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.144 5.694 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.711 10.039 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.606 7.109 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.888 9.287 -4.035 1.00 0.00 H new ATOM 882 N HIS A 60 6.734 4.073 1.684 1.00 0.00 N ATOM 883 CA HIS A 60 7.231 2.852 2.309 1.00 0.00 C ATOM 884 C HIS A 60 6.761 1.620 1.542 1.00 0.00 C ATOM 885 O HIS A 60 5.570 1.460 1.273 1.00 0.00 O ATOM 886 CB HIS A 60 6.764 2.772 3.762 1.00 0.00 C ATOM 887 CG HIS A 60 6.625 4.110 4.421 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.638 4.701 5.146 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.583 4.973 4.460 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.225 5.869 5.604 1.00 0.00 C ATOM 891 NE2 HIS A 60 5.981 6.058 5.202 1.00 0.00 N ATOM 0 H HIS A 60 5.787 4.333 1.960 1.00 0.00 H new ATOM 0 HA HIS A 60 8.320 2.878 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.804 2.257 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.472 2.168 4.330 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.618 4.834 3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.806 6.553 6.205 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.409 6.877 5.409 1.00 0.00 H new ATOM 900 N TYR A 61 7.704 0.751 1.193 1.00 0.00 N ATOM 901 CA TYR A 61 7.387 -0.465 0.454 1.00 0.00 C ATOM 902 C TYR A 61 8.061 -1.678 1.088 1.00 0.00 C ATOM 903 O TYR A 61 9.253 -1.650 1.394 1.00 0.00 O ATOM 904 CB TYR A 61 7.824 -0.330 -1.005 1.00 0.00 C ATOM 905 CG TYR A 61 9.253 -0.755 -1.251 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.585 -2.097 -1.393 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.273 0.185 -1.344 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.890 -2.490 -1.617 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.580 -0.199 -1.569 1.00 0.00 C ATOM 910 CZ TYR A 61 11.884 -1.538 -1.705 1.00 0.00 C ATOM 911 OH TYR A 61 13.185 -1.926 -1.929 1.00 0.00 O ATOM 0 H TYR A 61 8.694 0.867 1.410 1.00 0.00 H new ATOM 0 HA TYR A 61 6.307 -0.610 0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.163 -0.930 -1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.704 0.707 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.809 -2.845 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.039 1.234 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.131 -3.537 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.360 0.545 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 61 13.761 -1.134 -1.965 1.00 0.00 H new ATOM 921 N ILE A 62 7.289 -2.742 1.281 1.00 0.00 N ATOM 922 CA ILE A 62 7.810 -3.966 1.876 1.00 0.00 C ATOM 923 C ILE A 62 7.622 -5.156 0.941 1.00 0.00 C ATOM 924 O ILE A 62 6.528 -5.711 0.838 1.00 0.00 O ATOM 925 CB ILE A 62 7.127 -4.273 3.222 1.00 0.00 C ATOM 926 CG1 ILE A 62 7.223 -3.064 4.155 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.756 -5.499 3.868 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.053 -2.941 5.106 1.00 0.00 C ATOM 0 H ILE A 62 6.300 -2.781 1.034 1.00 0.00 H new ATOM 0 HA ILE A 62 8.875 -3.805 2.046 1.00 0.00 H new ATOM 0 HB ILE A 62 6.073 -4.484 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.145 -3.133 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.290 -2.156 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.263 -5.703 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.640 -6.358 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.816 -5.315 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.188 -2.062 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.130 -2.840 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.997 -3.832 5.732 1.00 0.00 H new ATOM 940 N CYS A 63 8.697 -5.543 0.262 1.00 0.00 N ATOM 941 CA CYS A 63 8.651 -6.668 -0.665 1.00 0.00 C ATOM 942 C CYS A 63 8.585 -7.992 0.089 1.00 0.00 C ATOM 943 O CYS A 63 9.447 -8.289 0.916 1.00 0.00 O ATOM 944 CB CYS A 63 9.875 -6.650 -1.582 1.00 0.00 C ATOM 945 SG CYS A 63 9.618 -7.470 -3.173 1.00 0.00 S ATOM 0 H CYS A 63 9.610 -5.094 0.336 1.00 0.00 H new ATOM 0 HA CYS A 63 7.750 -6.571 -1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.166 -5.615 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.708 -7.130 -1.068 1.00 0.00 H new ATOM 0 HG CYS A 63 10.237 -8.613 -3.177 1.00 0.00 H new ATOM 951 N GLN A 64 7.555 -8.781 -0.199 1.00 0.00 N ATOM 952 CA GLN A 64 7.376 -10.072 0.454 1.00 0.00 C ATOM 953 C GLN A 64 6.618 -11.039 -0.449 1.00 0.00 C ATOM 954 O GLN A 64 5.579 -10.693 -1.012 1.00 0.00 O ATOM 955 CB GLN A 64 6.627 -9.898 1.777 1.00 0.00 C ATOM 956 CG GLN A 64 6.399 -11.203 2.523 1.00 0.00 C ATOM 957 CD GLN A 64 5.130 -11.909 2.088 1.00 0.00 C ATOM 958 OE1 GLN A 64 4.542 -11.577 1.059 1.00 0.00 O ATOM 959 NE2 GLN A 64 4.701 -12.892 2.872 1.00 0.00 N ATOM 0 H GLN A 64 6.832 -8.549 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 64 8.363 -10.489 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.189 -9.217 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.663 -9.428 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.251 -11.863 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.350 -11.002 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.220 -13.134 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.853 -13.404 2.630 1.00 0.00 H new ATOM 968 N ASP A 65 7.145 -12.251 -0.584 1.00 0.00 N ATOM 969 CA ASP A 65 6.517 -13.269 -1.419 1.00 0.00 C ATOM 970 C ASP A 65 6.304 -12.752 -2.838 1.00 0.00 C ATOM 971 O ASP A 65 5.291 -13.048 -3.472 1.00 0.00 O ATOM 972 CB ASP A 65 5.181 -13.702 -0.815 1.00 0.00 C ATOM 973 CG ASP A 65 4.721 -15.051 -1.333 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.401 -15.147 -2.536 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.683 -16.010 -0.534 1.00 0.00 O ATOM 0 H ASP A 65 8.005 -12.553 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 65 7.183 -14.130 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.273 -13.745 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.423 -12.952 -1.041 1.00 0.00 H new ATOM 980 N ARG A 66 7.265 -11.977 -3.331 1.00 0.00 N ATOM 981 CA ARG A 66 7.182 -11.417 -4.674 1.00 0.00 C ATOM 982 C ARG A 66 6.025 -10.427 -4.780 1.00 0.00 C ATOM 983 O ARG A 66 5.421 -10.274 -5.842 1.00 0.00 O ATOM 984 CB ARG A 66 7.007 -12.533 -5.706 1.00 0.00 C ATOM 985 CG ARG A 66 8.320 -13.057 -6.265 1.00 0.00 C ATOM 986 CD ARG A 66 8.137 -13.648 -7.654 1.00 0.00 C ATOM 987 NE ARG A 66 9.088 -14.724 -7.920 1.00 0.00 N ATOM 988 CZ ARG A 66 9.093 -15.441 -9.038 1.00 0.00 C ATOM 989 NH1 ARG A 66 8.202 -15.197 -9.990 1.00 0.00 N ATOM 990 NH2 ARG A 66 9.990 -16.404 -9.207 1.00 0.00 N ATOM 0 H ARG A 66 8.110 -11.723 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 66 8.112 -10.886 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.462 -13.358 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.394 -12.163 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.048 -12.247 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.725 -13.816 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.121 -14.029 -7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.259 -12.863 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 66 9.787 -14.937 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.511 -14.457 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.208 -15.749 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.677 -16.595 -8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.992 -16.954 -10.066 1.00 0.00 H new ATOM 1004 N ILE A 67 5.723 -9.758 -3.672 1.00 0.00 N ATOM 1005 CA ILE A 67 4.640 -8.783 -3.640 1.00 0.00 C ATOM 1006 C ILE A 67 5.106 -7.464 -3.034 1.00 0.00 C ATOM 1007 O ILE A 67 5.743 -7.442 -1.981 1.00 0.00 O ATOM 1008 CB ILE A 67 3.435 -9.307 -2.837 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.194 -10.786 -3.144 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.193 -8.486 -3.151 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.889 -11.060 -4.600 1.00 0.00 C ATOM 0 H ILE A 67 6.213 -9.873 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 67 4.334 -8.617 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 67 3.654 -9.207 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.075 -11.357 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.365 -11.145 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.349 -8.868 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.370 -7.443 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.969 -8.558 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.729 -12.129 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.990 -10.517 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.727 -10.732 -5.215 1.00 0.00 H new ATOM 1023 N VAL A 68 4.781 -6.363 -3.706 1.00 0.00 N ATOM 1024 CA VAL A 68 5.164 -5.038 -3.232 1.00 0.00 C ATOM 1025 C VAL A 68 3.974 -4.310 -2.617 1.00 0.00 C ATOM 1026 O VAL A 68 2.893 -4.259 -3.203 1.00 0.00 O ATOM 1027 CB VAL A 68 5.742 -4.180 -4.373 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.101 -2.791 -3.868 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.955 -4.861 -4.990 1.00 0.00 C ATOM 0 H VAL A 68 4.254 -6.363 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 68 5.931 -5.183 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 68 4.980 -4.074 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.508 -2.200 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.208 -2.304 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.845 -2.873 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.350 -4.241 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.722 -4.999 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.663 -5.832 -5.390 1.00 0.00 H new ATOM 1039 N TYR A 69 4.181 -3.748 -1.431 1.00 0.00 N ATOM 1040 CA TYR A 69 3.125 -3.024 -0.734 1.00 0.00 C ATOM 1041 C TYR A 69 3.535 -1.578 -0.475 1.00 0.00 C ATOM 1042 O TYR A 69 4.228 -1.281 0.500 1.00 0.00 O ATOM 1043 CB TYR A 69 2.790 -3.716 0.588 1.00 0.00 C ATOM 1044 CG TYR A 69 2.369 -5.159 0.427 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.314 -6.163 0.255 1.00 0.00 C ATOM 1046 CD2 TYR A 69 1.027 -5.518 0.446 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.934 -7.483 0.107 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.639 -6.836 0.300 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.595 -7.814 0.131 1.00 0.00 C ATOM 1050 OH TYR A 69 1.212 -9.128 -0.017 1.00 0.00 O ATOM 0 H TYR A 69 5.070 -3.780 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 69 2.240 -3.023 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.660 -3.671 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.990 -3.166 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.363 -5.907 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.275 -4.754 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.681 -8.251 -0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.408 -7.098 0.318 1.00 0.00 H new ATOM 0 HH TYR A 69 0.235 -9.191 0.024 1.00 0.00 H new ATOM 1060 N LEU A 70 3.102 -0.680 -1.353 1.00 0.00 N ATOM 1061 CA LEU A 70 3.423 0.737 -1.221 1.00 0.00 C ATOM 1062 C LEU A 70 2.280 1.494 -0.553 1.00 0.00 C ATOM 1063 O LEU A 70 1.108 1.171 -0.752 1.00 0.00 O ATOM 1064 CB LEU A 70 3.718 1.344 -2.594 1.00 0.00 C ATOM 1065 CG LEU A 70 4.364 2.729 -2.590 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.261 2.903 -3.806 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.298 3.815 -2.552 1.00 0.00 C ATOM 0 H LEU A 70 2.527 -0.908 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 70 4.310 0.826 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.371 0.662 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.783 1.403 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 70 4.979 2.819 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.712 3.895 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.046 2.147 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.668 2.792 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.776 4.794 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.657 3.726 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.696 3.703 -1.650 1.00 0.00 H new ATOM 1079 N CYS A 71 2.628 2.503 0.238 1.00 0.00 N ATOM 1080 CA CYS A 71 1.631 3.308 0.934 1.00 0.00 C ATOM 1081 C CYS A 71 2.127 4.736 1.134 1.00 0.00 C ATOM 1082 O CYS A 71 3.180 4.960 1.733 1.00 0.00 O ATOM 1083 CB CYS A 71 1.292 2.679 2.287 1.00 0.00 C ATOM 1084 SG CYS A 71 2.615 2.807 3.512 1.00 0.00 S ATOM 0 H CYS A 71 3.593 2.783 0.413 1.00 0.00 H new ATOM 0 HA CYS A 71 0.731 3.338 0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.396 3.157 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.051 1.627 2.136 1.00 0.00 H new ATOM 0 HG CYS A 71 3.565 3.564 3.048 1.00 0.00 H new ATOM 1090 N ILE A 72 1.364 5.698 0.627 1.00 0.00 N ATOM 1091 CA ILE A 72 1.727 7.105 0.749 1.00 0.00 C ATOM 1092 C ILE A 72 1.205 7.696 2.054 1.00 0.00 C ATOM 1093 O ILE A 72 0.028 7.553 2.387 1.00 0.00 O ATOM 1094 CB ILE A 72 1.182 7.931 -0.431 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.911 7.559 -1.723 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.324 9.419 -0.145 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.261 6.420 -2.477 1.00 0.00 C ATOM 0 H ILE A 72 0.491 5.529 0.128 1.00 0.00 H new ATOM 0 HA ILE A 72 2.816 7.152 0.742 1.00 0.00 H new ATOM 0 HB ILE A 72 0.123 7.704 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.955 8.435 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.939 7.287 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.935 9.990 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.763 9.672 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.376 9.662 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.831 6.210 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.241 5.531 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.242 6.697 -2.746 1.00 0.00 H new ATOM 1109 N THR A 73 2.089 8.363 2.790 1.00 0.00 N ATOM 1110 CA THR A 73 1.718 8.977 4.059 1.00 0.00 C ATOM 1111 C THR A 73 2.293 10.384 4.178 1.00 0.00 C ATOM 1112 O THR A 73 3.037 10.836 3.307 1.00 0.00 O ATOM 1113 CB THR A 73 2.203 8.134 5.254 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.616 7.923 5.163 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.486 6.793 5.296 1.00 0.00 C ATOM 0 H THR A 73 3.067 8.492 2.529 1.00 0.00 H new ATOM 0 HA THR A 73 0.629 9.029 4.078 1.00 0.00 H new ATOM 0 HB THR A 73 1.976 8.678 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.033 8.123 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.845 6.215 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.413 6.957 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.686 6.245 4.376 1.00 0.00 H new ATOM 1123 N ASP A 74 1.944 11.071 5.260 1.00 0.00 N ATOM 1124 CA ASP A 74 2.427 12.427 5.493 1.00 0.00 C ATOM 1125 C ASP A 74 3.813 12.408 6.129 1.00 0.00 C ATOM 1126 O ASP A 74 4.094 11.591 7.006 1.00 0.00 O ATOM 1127 CB ASP A 74 1.452 13.192 6.389 1.00 0.00 C ATOM 1128 CG ASP A 74 0.095 13.380 5.739 1.00 0.00 C ATOM 1129 OD1 ASP A 74 -0.023 14.255 4.856 1.00 0.00 O ATOM 1130 OD2 ASP A 74 -0.849 12.654 6.114 1.00 0.00 O ATOM 0 H ASP A 74 1.329 10.711 5.989 1.00 0.00 H new ATOM 0 HA ASP A 74 2.496 12.932 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.330 12.655 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.874 14.167 6.631 1.00 0.00 H new ATOM 1135 N ASP A 75 4.677 13.312 5.681 1.00 0.00 N ATOM 1136 CA ASP A 75 6.035 13.400 6.206 1.00 0.00 C ATOM 1137 C ASP A 75 6.044 13.219 7.721 1.00 0.00 C ATOM 1138 O ASP A 75 6.767 12.375 8.251 1.00 0.00 O ATOM 1139 CB ASP A 75 6.662 14.745 5.837 1.00 0.00 C ATOM 1140 CG ASP A 75 5.894 15.919 6.412 1.00 0.00 C ATOM 1141 OD1 ASP A 75 4.653 15.938 6.279 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.535 16.819 6.994 1.00 0.00 O ATOM 0 H ASP A 75 4.461 13.995 4.955 1.00 0.00 H new ATOM 0 HA ASP A 75 6.624 12.599 5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.690 14.775 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.703 14.838 4.752 1.00 0.00 H new ATOM 1147 N ASP A 76 5.237 14.017 8.411 1.00 0.00 N ATOM 1148 CA ASP A 76 5.152 13.945 9.866 1.00 0.00 C ATOM 1149 C ASP A 76 4.939 12.507 10.327 1.00 0.00 C ATOM 1150 O ASP A 76 5.587 12.042 11.265 1.00 0.00 O ATOM 1151 CB ASP A 76 4.014 14.831 10.376 1.00 0.00 C ATOM 1152 CG ASP A 76 4.266 16.303 10.116 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.769 16.635 9.022 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.960 17.123 11.006 1.00 0.00 O ATOM 0 H ASP A 76 4.633 14.721 7.987 1.00 0.00 H new ATOM 0 HA ASP A 76 6.095 14.304 10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.082 14.534 9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.884 14.671 11.446 1.00 0.00 H new ATOM 1159 N PHE A 77 4.026 11.806 9.662 1.00 0.00 N ATOM 1160 CA PHE A 77 3.726 10.421 10.006 1.00 0.00 C ATOM 1161 C PHE A 77 4.987 9.685 10.449 1.00 0.00 C ATOM 1162 O PHE A 77 6.073 9.921 9.921 1.00 0.00 O ATOM 1163 CB PHE A 77 3.096 9.702 8.811 1.00 0.00 C ATOM 1164 CG PHE A 77 2.180 8.578 9.203 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.009 8.831 9.898 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.492 7.268 8.877 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.164 7.798 10.259 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.651 6.231 9.236 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.486 6.497 9.929 1.00 0.00 C ATOM 0 H PHE A 77 3.481 12.174 8.882 1.00 0.00 H new ATOM 0 HA PHE A 77 3.018 10.424 10.835 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.538 10.424 8.216 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.889 9.309 8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.753 9.847 10.161 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.402 7.055 8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.747 8.009 10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.905 5.214 8.975 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.172 5.688 10.212 1.00 0.00 H new ATOM 1179 N GLU A 78 4.833 8.792 11.422 1.00 0.00 N ATOM 1180 CA GLU A 78 5.960 8.023 11.937 1.00 0.00 C ATOM 1181 C GLU A 78 6.191 6.769 11.098 1.00 0.00 C ATOM 1182 O GLU A 78 5.243 6.098 10.692 1.00 0.00 O ATOM 1183 CB GLU A 78 5.717 7.636 13.397 1.00 0.00 C ATOM 1184 CG GLU A 78 6.993 7.376 14.179 1.00 0.00 C ATOM 1185 CD GLU A 78 6.746 7.228 15.667 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.585 6.978 16.053 1.00 0.00 O ATOM 1187 OE2 GLU A 78 7.713 7.361 16.446 1.00 0.00 O ATOM 0 H GLU A 78 3.940 8.584 11.869 1.00 0.00 H new ATOM 0 HA GLU A 78 6.851 8.648 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.157 8.433 13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.094 6.742 13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.468 6.470 13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.691 8.196 14.010 1.00 0.00 H new ATOM 1194 N ARG A 79 7.458 6.460 10.843 1.00 0.00 N ATOM 1195 CA ARG A 79 7.815 5.289 10.052 1.00 0.00 C ATOM 1196 C ARG A 79 7.186 4.027 10.635 1.00 0.00 C ATOM 1197 O ARG A 79 6.380 3.365 9.982 1.00 0.00 O ATOM 1198 CB ARG A 79 9.336 5.132 9.991 1.00 0.00 C ATOM 1199 CG ARG A 79 9.977 5.868 8.826 1.00 0.00 C ATOM 1200 CD ARG A 79 10.076 7.361 9.096 1.00 0.00 C ATOM 1201 NE ARG A 79 10.575 8.095 7.937 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.837 8.046 7.523 1.00 0.00 C ATOM 1203 NH1 ARG A 79 12.721 7.300 8.170 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.215 8.742 6.459 1.00 0.00 N ATOM 0 H ARG A 79 8.255 7.005 11.173 1.00 0.00 H new ATOM 0 HA ARG A 79 7.431 5.433 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.768 5.497 10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.581 4.072 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.972 5.464 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.393 5.699 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.094 7.745 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.737 7.533 9.946 1.00 0.00 H new ATOM 0 HE ARG A 79 9.919 8.677 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.433 6.762 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.689 7.264 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.537 9.316 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.184 8.704 6.142 1.00 0.00 H new ATOM 1218 N SER A 80 7.560 3.700 11.868 1.00 0.00 N ATOM 1219 CA SER A 80 7.036 2.516 12.537 1.00 0.00 C ATOM 1220 C SER A 80 5.544 2.354 12.266 1.00 0.00 C ATOM 1221 O SER A 80 5.077 1.265 11.930 1.00 0.00 O ATOM 1222 CB SER A 80 7.285 2.603 14.044 1.00 0.00 C ATOM 1223 OG SER A 80 6.600 1.573 14.735 1.00 0.00 O ATOM 0 H SER A 80 8.224 4.239 12.424 1.00 0.00 H new ATOM 0 HA SER A 80 7.557 1.645 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.354 2.530 14.244 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.957 3.574 14.414 1.00 0.00 H new ATOM 0 HG SER A 80 6.777 1.650 15.696 1.00 0.00 H new ATOM 1229 N ARG A 81 4.800 3.445 12.413 1.00 0.00 N ATOM 1230 CA ARG A 81 3.360 3.425 12.185 1.00 0.00 C ATOM 1231 C ARG A 81 3.038 2.895 10.792 1.00 0.00 C ATOM 1232 O ARG A 81 2.390 1.858 10.646 1.00 0.00 O ATOM 1233 CB ARG A 81 2.776 4.829 12.356 1.00 0.00 C ATOM 1234 CG ARG A 81 2.560 5.226 13.807 1.00 0.00 C ATOM 1235 CD ARG A 81 1.480 6.289 13.939 1.00 0.00 C ATOM 1236 NE ARG A 81 2.029 7.640 13.848 1.00 0.00 N ATOM 1237 CZ ARG A 81 2.659 8.246 14.848 1.00 0.00 C ATOM 1238 NH1 ARG A 81 2.820 7.625 16.008 1.00 0.00 N ATOM 1239 NH2 ARG A 81 3.130 9.476 14.688 1.00 0.00 N ATOM 0 H ARG A 81 5.171 4.354 12.689 1.00 0.00 H new ATOM 0 HA ARG A 81 2.910 2.759 12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.444 5.551 11.886 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.824 4.884 11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.280 4.347 14.388 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.494 5.601 14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.734 6.147 13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.968 6.169 14.894 1.00 0.00 H new ATOM 0 HE ARG A 81 1.923 8.145 12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.460 6.679 16.134 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.304 8.093 16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.008 9.957 13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.614 9.941 15.456 1.00 0.00 H new ATOM 1253 N ALA A 82 3.493 3.613 9.770 1.00 0.00 N ATOM 1254 CA ALA A 82 3.255 3.214 8.389 1.00 0.00 C ATOM 1255 C ALA A 82 3.637 1.755 8.165 1.00 0.00 C ATOM 1256 O ALA A 82 2.837 0.962 7.666 1.00 0.00 O ATOM 1257 CB ALA A 82 4.028 4.115 7.438 1.00 0.00 C ATOM 0 H ALA A 82 4.029 4.475 9.873 1.00 0.00 H new ATOM 0 HA ALA A 82 2.189 3.319 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.841 3.805 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.704 5.147 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.094 4.039 7.651 1.00 0.00 H new ATOM 1263 N PHE A 83 4.864 1.405 8.537 1.00 0.00 N ATOM 1264 CA PHE A 83 5.353 0.041 8.375 1.00 0.00 C ATOM 1265 C PHE A 83 4.393 -0.960 9.012 1.00 0.00 C ATOM 1266 O PHE A 83 4.241 -2.082 8.531 1.00 0.00 O ATOM 1267 CB PHE A 83 6.743 -0.102 8.997 1.00 0.00 C ATOM 1268 CG PHE A 83 7.838 0.499 8.163 1.00 0.00 C ATOM 1269 CD1 PHE A 83 8.156 -0.035 6.924 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.549 1.598 8.617 1.00 0.00 C ATOM 1271 CE1 PHE A 83 9.163 0.516 6.155 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.558 2.153 7.852 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.864 1.612 6.619 1.00 0.00 C ATOM 0 H PHE A 83 5.538 2.048 8.953 1.00 0.00 H new ATOM 0 HA PHE A 83 5.416 -0.171 7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.743 0.372 9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.955 -1.160 9.153 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.611 -0.891 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.312 2.026 9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.402 0.090 5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.106 3.008 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.650 2.045 6.018 1.00 0.00 H new ATOM 1283 N ASN A 84 3.748 -0.544 10.097 1.00 0.00 N ATOM 1284 CA ASN A 84 2.803 -1.403 10.801 1.00 0.00 C ATOM 1285 C ASN A 84 1.584 -1.697 9.933 1.00 0.00 C ATOM 1286 O ASN A 84 1.319 -2.848 9.584 1.00 0.00 O ATOM 1287 CB ASN A 84 2.364 -0.747 12.112 1.00 0.00 C ATOM 1288 CG ASN A 84 1.708 -1.732 13.060 1.00 0.00 C ATOM 1289 OD1 ASN A 84 1.597 -2.921 12.759 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.268 -1.241 14.213 1.00 0.00 N ATOM 0 H ASN A 84 3.863 0.383 10.508 1.00 0.00 H new ATOM 0 HA ASN A 84 3.303 -2.345 11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.230 -0.300 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.667 0.063 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.817 -1.856 14.890 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.381 -0.249 14.421 1.00 0.00 H new ATOM 1297 N PHE A 85 0.844 -0.649 9.587 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.348 -0.794 8.760 1.00 0.00 C ATOM 1299 C PHE A 85 -0.082 -1.724 7.580 1.00 0.00 C ATOM 1300 O PHE A 85 -0.906 -2.577 7.248 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.812 0.573 8.252 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.855 0.490 7.174 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.170 0.184 7.487 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.520 0.718 5.849 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.131 0.106 6.496 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.477 0.642 4.855 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.785 0.337 5.179 1.00 0.00 C ATOM 0 H PHE A 85 1.049 0.310 9.867 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.135 -1.232 9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.211 1.146 9.089 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.049 1.122 7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.447 0.005 8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.499 0.958 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.152 -0.136 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.203 0.821 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.535 0.279 4.404 1.00 0.00 H new ATOM 1317 N LEU A 86 1.075 -1.553 6.950 1.00 0.00 N ATOM 1318 CA LEU A 86 1.452 -2.376 5.806 1.00 0.00 C ATOM 1319 C LEU A 86 1.510 -3.851 6.191 1.00 0.00 C ATOM 1320 O LEU A 86 0.871 -4.693 5.562 1.00 0.00 O ATOM 1321 CB LEU A 86 2.806 -1.928 5.254 1.00 0.00 C ATOM 1322 CG LEU A 86 2.795 -0.665 4.391 1.00 0.00 C ATOM 1323 CD1 LEU A 86 4.213 -0.255 4.026 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.961 -0.883 3.137 1.00 0.00 C ATOM 0 H LEU A 86 1.768 -0.852 7.212 1.00 0.00 H new ATOM 0 HA LEU A 86 0.692 -2.251 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.482 -1.764 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.223 -2.744 4.663 1.00 0.00 H new ATOM 0 HG LEU A 86 2.343 0.142 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.185 0.645 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.780 -0.056 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.692 -1.060 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.964 0.026 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.383 -1.704 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.937 -1.127 3.419 1.00 0.00 H new ATOM 1336 N ASN A 87 2.279 -4.155 7.232 1.00 0.00 N ATOM 1337 CA ASN A 87 2.420 -5.528 7.703 1.00 0.00 C ATOM 1338 C ASN A 87 1.059 -6.129 8.039 1.00 0.00 C ATOM 1339 O ASN A 87 0.849 -7.333 7.895 1.00 0.00 O ATOM 1340 CB ASN A 87 3.329 -5.577 8.932 1.00 0.00 C ATOM 1341 CG ASN A 87 3.969 -6.938 9.124 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.408 -7.961 8.731 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.150 -6.957 9.731 1.00 0.00 N ATOM 0 H ASN A 87 2.814 -3.469 7.765 1.00 0.00 H new ATOM 0 HA ASN A 87 2.870 -6.116 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.109 -4.822 8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.750 -5.323 9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.629 -7.844 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.578 -6.085 10.040 1.00 0.00 H new ATOM 1350 N GLU A 88 0.138 -5.282 8.488 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.203 -5.731 8.845 1.00 0.00 C ATOM 1352 C GLU A 88 -1.942 -6.264 7.621 1.00 0.00 C ATOM 1353 O GLU A 88 -2.211 -7.461 7.518 1.00 0.00 O ATOM 1354 CB GLU A 88 -1.997 -4.585 9.475 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.576 -4.263 10.899 1.00 0.00 C ATOM 1356 CD GLU A 88 -1.983 -5.341 11.885 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.180 -5.405 12.234 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -1.103 -6.120 12.308 1.00 0.00 O ATOM 0 H GLU A 88 0.296 -4.282 8.613 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.107 -6.539 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.880 -3.693 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.056 -4.841 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.494 -4.134 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.020 -3.314 11.200 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.268 -5.366 6.697 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.976 -5.746 5.480 1.00 0.00 C ATOM 1367 C ILE A 89 -2.144 -6.706 4.637 1.00 0.00 C ATOM 1368 O ILE A 89 -2.684 -7.551 3.923 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.334 -4.513 4.629 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.094 -3.647 4.399 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.433 -3.705 5.304 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.326 -2.501 3.439 1.00 0.00 C ATOM 0 H ILE A 89 -2.053 -4.371 6.768 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.895 -6.242 5.792 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.701 -4.853 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.758 -3.247 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.289 -4.274 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.675 -2.837 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.321 -4.326 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.091 -3.373 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.404 -1.930 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.632 -2.895 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.109 -1.851 3.831 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.825 -6.573 4.727 1.00 0.00 N ATOM 1385 CA LYS A 90 0.084 -7.431 3.976 1.00 0.00 C ATOM 1386 C LYS A 90 -0.151 -8.900 4.312 1.00 0.00 C ATOM 1387 O LYS A 90 -0.295 -9.737 3.421 1.00 0.00 O ATOM 1388 CB LYS A 90 1.537 -7.055 4.275 1.00 0.00 C ATOM 1389 CG LYS A 90 2.542 -8.099 3.820 1.00 0.00 C ATOM 1390 CD LYS A 90 3.952 -7.746 4.262 1.00 0.00 C ATOM 1391 CE LYS A 90 4.326 -6.329 3.857 1.00 0.00 C ATOM 1392 NZ LYS A 90 3.952 -5.336 4.901 1.00 0.00 N ATOM 0 H LYS A 90 -0.361 -5.879 5.313 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.112 -7.284 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.765 -6.107 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.649 -6.898 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.266 -9.072 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.511 -8.186 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.031 -7.849 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.659 -8.450 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.399 -6.275 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.829 -6.076 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.984 -4.378 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.990 -5.536 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.620 -5.399 5.695 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.191 -9.207 5.604 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.412 -10.575 6.060 1.00 0.00 C ATOM 1408 C LYS A 91 -1.839 -11.023 5.764 1.00 0.00 C ATOM 1409 O LYS A 91 -2.075 -12.175 5.399 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.132 -10.686 7.560 1.00 0.00 C ATOM 1411 CG LYS A 91 1.336 -10.893 7.892 1.00 0.00 C ATOM 1412 CD LYS A 91 1.715 -12.364 7.851 1.00 0.00 C ATOM 1413 CE LYS A 91 2.906 -12.658 8.749 1.00 0.00 C ATOM 1414 NZ LYS A 91 3.607 -13.909 8.349 1.00 0.00 N ATOM 0 H LYS A 91 -0.073 -8.527 6.355 1.00 0.00 H new ATOM 0 HA LYS A 91 0.274 -11.227 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.483 -9.780 8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.709 -11.516 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.952 -10.338 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.546 -10.490 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.864 -12.969 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.951 -12.652 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.605 -11.822 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.569 -12.745 9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.413 -14.074 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.948 -14.711 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.951 -13.817 7.372 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.787 -10.105 5.921 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.191 -10.407 5.670 1.00 0.00 C ATOM 1430 C ARG A 92 -4.409 -10.811 4.214 1.00 0.00 C ATOM 1431 O ARG A 92 -5.324 -11.572 3.901 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.064 -9.197 6.010 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.479 -9.137 7.470 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.683 -8.229 7.671 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.238 -8.345 9.016 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.060 -9.319 9.390 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.420 -10.257 8.524 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.524 -9.358 10.633 1.00 0.00 N ATOM 0 H ARG A 92 -2.608 -9.146 6.221 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.476 -11.243 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.522 -8.286 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.958 -9.218 5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.716 -10.141 7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.645 -8.776 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.392 -7.195 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.451 -8.479 6.939 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.981 -7.640 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.065 -10.232 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.051 -11.004 8.814 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.249 -8.639 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.155 -10.107 10.919 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.562 -10.296 3.330 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.662 -10.601 1.907 1.00 0.00 C ATOM 1454 C PHE A 93 -3.007 -11.943 1.592 1.00 0.00 C ATOM 1455 O PHE A 93 -3.655 -12.856 1.082 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.007 -9.494 1.079 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.069 -9.738 -0.402 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.080 -10.471 -1.038 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.115 -9.235 -1.158 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.133 -10.696 -2.401 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.174 -9.457 -2.521 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.182 -10.189 -3.143 1.00 0.00 C ATOM 0 H PHE A 93 -2.798 -9.665 3.573 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.719 -10.662 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.495 -8.546 1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.964 -9.395 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.258 -10.871 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.894 -8.662 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.355 -11.268 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.995 -9.058 -3.099 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.226 -10.365 -4.208 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.718 -12.052 1.899 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.975 -13.281 1.647 1.00 0.00 C ATOM 1474 C GLN A 94 -1.653 -14.474 2.313 1.00 0.00 C ATOM 1475 O GLN A 94 -1.472 -15.618 1.895 1.00 0.00 O ATOM 1476 CB GLN A 94 0.461 -13.146 2.156 1.00 0.00 C ATOM 1477 CG GLN A 94 0.588 -13.282 3.665 1.00 0.00 C ATOM 1478 CD GLN A 94 1.985 -12.971 4.164 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.623 -13.800 4.814 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.469 -11.772 3.862 1.00 0.00 N ATOM 0 H GLN A 94 -1.167 -11.305 2.322 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.958 -13.451 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.080 -13.905 1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.855 -12.176 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.123 -12.612 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.319 -14.297 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.906 -11.116 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.404 -11.507 4.171 1.00 0.00 H new ATOM 1489 N THR A 95 -2.435 -14.199 3.353 1.00 0.00 N ATOM 1490 CA THR A 95 -3.139 -15.249 4.078 1.00 0.00 C ATOM 1491 C THR A 95 -4.517 -15.503 3.477 1.00 0.00 C ATOM 1492 O THR A 95 -4.990 -16.640 3.441 1.00 0.00 O ATOM 1493 CB THR A 95 -3.299 -14.893 5.568 1.00 0.00 C ATOM 1494 OG1 THR A 95 -3.325 -16.087 6.358 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.575 -14.098 5.800 1.00 0.00 C ATOM 0 H THR A 95 -2.596 -13.258 3.712 1.00 0.00 H new ATOM 0 HA THR A 95 -2.535 -16.152 3.991 1.00 0.00 H new ATOM 0 HB THR A 95 -2.448 -14.280 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.425 -15.851 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.667 -13.858 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.539 -13.175 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.435 -14.690 5.486 1.00 0.00 H new ATOM 1503 N THR A 96 -5.157 -14.438 3.004 1.00 0.00 N ATOM 1504 CA THR A 96 -6.481 -14.546 2.405 1.00 0.00 C ATOM 1505 C THR A 96 -6.386 -14.777 0.901 1.00 0.00 C ATOM 1506 O THR A 96 -6.764 -15.838 0.402 1.00 0.00 O ATOM 1507 CB THR A 96 -7.321 -13.282 2.667 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.547 -13.126 4.072 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.654 -13.357 1.938 1.00 0.00 C ATOM 0 H THR A 96 -4.779 -13.491 3.024 1.00 0.00 H new ATOM 0 HA THR A 96 -6.970 -15.401 2.871 1.00 0.00 H new ATOM 0 HB THR A 96 -6.768 -12.421 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.864 -12.533 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.230 -12.453 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.478 -13.445 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.211 -14.227 2.287 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.880 -13.780 0.185 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.738 -13.875 -1.263 1.00 0.00 C ATOM 1519 C TYR A 97 -4.268 -13.970 -1.661 1.00 0.00 C ATOM 1520 O TYR A 97 -3.851 -13.412 -2.675 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.384 -12.665 -1.940 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.719 -12.279 -1.345 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.805 -13.144 -1.404 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.894 -11.049 -0.722 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -10.027 -12.794 -0.861 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.112 -10.692 -0.175 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.175 -11.568 -0.248 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.390 -11.217 0.294 1.00 0.00 O ATOM 0 H TYR A 97 -5.561 -12.897 0.583 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.245 -14.782 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.705 -11.815 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.517 -12.881 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.692 -14.106 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.064 -10.360 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.861 -13.477 -0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.231 -9.733 0.307 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.326 -10.322 0.689 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.488 -14.682 -0.854 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.073 -14.838 -1.137 1.00 0.00 C ATOM 1540 C GLY A 98 -1.817 -15.754 -2.317 1.00 0.00 C ATOM 1541 O GLY A 98 -1.314 -15.318 -3.352 1.00 0.00 O ATOM 0 H GLY A 98 -3.811 -15.154 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.636 -13.860 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.571 -15.237 -0.256 1.00 0.00 H new ATOM 1545 N SER A 99 -2.161 -17.029 -2.161 1.00 0.00 N ATOM 1546 CA SER A 99 -1.960 -18.010 -3.221 1.00 0.00 C ATOM 1547 C SER A 99 -2.435 -17.465 -4.564 1.00 0.00 C ATOM 1548 O SER A 99 -1.665 -17.382 -5.521 1.00 0.00 O ATOM 1549 CB SER A 99 -2.703 -19.307 -2.892 1.00 0.00 C ATOM 1550 OG SER A 99 -2.052 -20.427 -3.466 1.00 0.00 O ATOM 0 H SER A 99 -2.580 -17.406 -1.311 1.00 0.00 H new ATOM 0 HA SER A 99 -0.892 -18.219 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.762 -19.432 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.726 -19.248 -3.263 1.00 0.00 H new ATOM 0 HG SER A 99 -2.545 -21.243 -3.240 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.710 -17.094 -4.627 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.290 -16.558 -5.852 1.00 0.00 C ATOM 1558 C ARG A 100 -3.457 -15.396 -6.385 1.00 0.00 C ATOM 1559 O ARG A 100 -3.316 -15.224 -7.596 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.727 -16.096 -5.602 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.749 -17.220 -5.673 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.153 -16.682 -5.899 1.00 0.00 C ATOM 1563 NE ARG A 100 -9.134 -17.755 -6.036 1.00 0.00 N ATOM 1564 CZ ARG A 100 -10.418 -17.547 -6.308 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.872 -16.312 -6.471 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -11.249 -18.575 -6.418 1.00 0.00 N ATOM 0 H ARG A 100 -4.361 -17.155 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.295 -17.352 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.783 -15.627 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.987 -15.333 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.485 -17.903 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.723 -17.796 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.433 -16.039 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.164 -16.064 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.816 -18.717 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.235 -15.519 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.858 -16.154 -6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.903 -19.526 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.234 -18.414 -6.627 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.907 -14.602 -5.473 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.087 -13.458 -5.851 1.00 0.00 C ATOM 1582 C ALA A 101 -1.093 -13.832 -6.945 1.00 0.00 C ATOM 1583 O ALA A 101 -0.702 -12.991 -7.754 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.354 -12.909 -4.635 1.00 0.00 C ATOM 0 H ALA A 101 -3.014 -14.730 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.746 -12.684 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.745 -12.055 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.079 -12.594 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.712 -13.684 -4.217 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.689 -15.098 -6.963 1.00 0.00 N ATOM 1591 CA GLN A 102 0.261 -15.582 -7.958 1.00 0.00 C ATOM 1592 C GLN A 102 -0.465 -16.229 -9.133 1.00 0.00 C ATOM 1593 O GLN A 102 0.034 -16.234 -10.259 1.00 0.00 O ATOM 1594 CB GLN A 102 1.228 -16.584 -7.326 1.00 0.00 C ATOM 1595 CG GLN A 102 1.898 -16.069 -6.062 1.00 0.00 C ATOM 1596 CD GLN A 102 3.276 -16.662 -5.848 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.516 -17.831 -6.155 1.00 0.00 O ATOM 1598 NE2 GLN A 102 4.192 -15.858 -5.321 1.00 0.00 N ATOM 0 H GLN A 102 -1.004 -15.807 -6.301 1.00 0.00 H new ATOM 0 HA GLN A 102 0.827 -14.728 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.687 -17.501 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.996 -16.844 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.978 -14.983 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.270 -16.301 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.950 -14.897 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.138 -16.202 -5.156 1.00 0.00 H new ATOM 1607 N THR A 103 -1.646 -16.776 -8.864 1.00 0.00 N ATOM 1608 CA THR A 103 -2.440 -17.428 -9.898 1.00 0.00 C ATOM 1609 C THR A 103 -3.750 -16.685 -10.136 1.00 0.00 C ATOM 1610 O THR A 103 -4.795 -17.302 -10.340 1.00 0.00 O ATOM 1611 CB THR A 103 -2.752 -18.891 -9.528 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.618 -18.934 -8.389 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.473 -19.658 -9.229 1.00 0.00 C ATOM 0 H THR A 103 -2.074 -16.780 -7.938 1.00 0.00 H new ATOM 0 HA THR A 103 -1.845 -17.411 -10.811 1.00 0.00 H new ATOM 0 HB THR A 103 -3.247 -19.360 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.813 -19.867 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.718 -20.688 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.829 -19.648 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.954 -19.188 -8.394 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.686 -15.358 -10.109 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.867 -14.532 -10.324 1.00 0.00 C ATOM 1623 C ALA A 104 -4.524 -13.284 -11.131 1.00 0.00 C ATOM 1624 O ALA A 104 -3.393 -12.799 -11.119 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.491 -14.146 -8.991 1.00 0.00 C ATOM 0 H ALA A 104 -2.828 -14.832 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.589 -15.115 -10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.372 -13.529 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.781 -15.047 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.768 -13.585 -8.399 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.523 -12.751 -11.851 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.350 -11.553 -12.677 1.00 0.00 C ATOM 1633 C PRO A 105 -5.151 -10.294 -11.840 1.00 0.00 C ATOM 1634 O PRO A 105 -5.321 -10.298 -10.620 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.663 -11.471 -13.461 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.657 -12.184 -12.611 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.897 -13.277 -11.912 1.00 0.00 C ATOM 0 HA PRO A 105 -4.463 -11.618 -13.307 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.958 -10.436 -13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.570 -11.941 -14.440 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.114 -11.505 -11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.464 -12.596 -13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.297 -13.472 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.944 -14.216 -12.464 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.782 -9.191 -12.507 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.553 -7.904 -11.843 1.00 0.00 C ATOM 1647 C PRO A 106 -5.845 -7.279 -11.328 1.00 0.00 C ATOM 1648 O PRO A 106 -5.818 -6.351 -10.520 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.944 -7.038 -12.949 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.445 -7.637 -14.218 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.561 -9.114 -13.961 1.00 0.00 C ATOM 0 HA PRO A 106 -3.917 -8.007 -10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.254 -5.997 -12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.855 -7.051 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.410 -7.212 -14.496 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.759 -7.437 -15.041 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.388 -9.555 -14.517 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.657 -9.646 -14.259 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.975 -7.795 -11.799 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.278 -7.286 -11.387 1.00 0.00 C ATOM 1661 C TYR A 107 -9.233 -8.431 -11.066 1.00 0.00 C ATOM 1662 O TYR A 107 -10.232 -8.633 -11.756 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.874 -6.402 -12.484 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.468 -4.949 -12.378 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.131 -4.575 -12.426 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.423 -3.950 -12.229 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.756 -3.249 -12.329 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.057 -2.622 -12.132 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.722 -2.276 -12.183 1.00 0.00 C ATOM 1670 OH TYR A 107 -7.354 -0.954 -12.086 1.00 0.00 O ATOM 0 H TYR A 107 -7.015 -8.565 -12.466 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.138 -6.690 -10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.566 -6.787 -13.456 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.961 -6.471 -12.444 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.371 -5.334 -12.541 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.469 -4.217 -12.188 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.712 -2.976 -12.367 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.812 -1.858 -12.017 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.155 -0.398 -11.989 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.919 -9.177 -10.012 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.750 -10.300 -9.596 1.00 0.00 C ATOM 1682 C ALA A 108 -10.306 -10.082 -8.193 1.00 0.00 C ATOM 1683 O ALA A 108 -11.517 -10.132 -7.981 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.954 -11.595 -9.655 1.00 0.00 C ATOM 0 H ALA A 108 -8.095 -9.024 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.592 -10.372 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.587 -12.426 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.611 -11.765 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.093 -11.524 -8.990 1.00 0.00 H new ATOM 1690 N MET A 109 -9.413 -9.840 -7.239 1.00 0.00 N ATOM 1691 CA MET A 109 -9.816 -9.613 -5.855 1.00 0.00 C ATOM 1692 C MET A 109 -9.758 -8.129 -5.508 1.00 0.00 C ATOM 1693 O MET A 109 -9.408 -7.757 -4.389 1.00 0.00 O ATOM 1694 CB MET A 109 -8.919 -10.407 -4.904 1.00 0.00 C ATOM 1695 CG MET A 109 -7.451 -10.020 -4.988 1.00 0.00 C ATOM 1696 SD MET A 109 -6.565 -10.932 -6.266 1.00 0.00 S ATOM 1697 CE MET A 109 -6.075 -12.397 -5.359 1.00 0.00 C ATOM 0 H MET A 109 -8.406 -9.796 -7.398 1.00 0.00 H new ATOM 0 HA MET A 109 -10.845 -9.954 -5.742 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.267 -10.260 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.019 -11.470 -5.125 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.372 -8.952 -5.188 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.976 -10.199 -4.023 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.470 -13.037 -6.001 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.493 -12.106 -4.485 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.964 -12.941 -5.038 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.103 -7.286 -6.476 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.089 -5.842 -6.272 1.00 0.00 C ATOM 1709 C ASN A 110 -11.250 -5.406 -5.383 1.00 0.00 C ATOM 1710 O ASN A 110 -11.059 -4.691 -4.400 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.162 -5.115 -7.616 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.587 -4.937 -8.101 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -12.209 -5.878 -8.595 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -12.112 -3.725 -7.963 1.00 0.00 N ATOM 0 H ASN A 110 -10.395 -7.578 -7.409 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.155 -5.580 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.688 -4.138 -7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.595 -5.675 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.067 -3.545 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.560 -2.974 -7.548 1.00 0.00 H new ATOM 1721 N SER A 111 -12.455 -5.844 -5.736 1.00 0.00 N ATOM 1722 CA SER A 111 -13.648 -5.497 -4.972 1.00 0.00 C ATOM 1723 C SER A 111 -13.519 -5.958 -3.523 1.00 0.00 C ATOM 1724 O SER A 111 -13.668 -5.166 -2.594 1.00 0.00 O ATOM 1725 CB SER A 111 -14.888 -6.126 -5.610 1.00 0.00 C ATOM 1726 OG SER A 111 -16.076 -5.583 -5.060 1.00 0.00 O ATOM 0 H SER A 111 -12.631 -6.439 -6.545 1.00 0.00 H new ATOM 0 HA SER A 111 -13.753 -4.412 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.872 -5.957 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.872 -7.205 -5.456 1.00 0.00 H new ATOM 0 HG SER A 111 -16.854 -6.000 -5.486 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.241 -7.245 -3.341 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.092 -7.812 -2.006 1.00 0.00 C ATOM 1734 C GLU A 112 -12.082 -7.015 -1.185 1.00 0.00 C ATOM 1735 O GLU A 112 -12.388 -6.545 -0.089 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.652 -9.275 -2.094 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.803 -10.245 -2.305 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.576 -10.518 -1.029 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.144 -9.560 -0.463 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -14.614 -11.689 -0.597 1.00 0.00 O ATOM 0 H GLU A 112 -13.115 -7.914 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.060 -7.761 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.942 -9.383 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.125 -9.543 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.481 -9.841 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.414 -11.184 -2.698 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.876 -6.867 -1.724 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.820 -6.128 -1.043 1.00 0.00 C ATOM 1749 C PHE A 113 -10.203 -4.661 -0.875 1.00 0.00 C ATOM 1750 O PHE A 113 -9.834 -4.020 0.109 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.507 -6.238 -1.821 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.287 -6.223 -0.945 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.180 -7.091 0.129 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.249 -5.341 -1.196 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.058 -7.081 0.937 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.125 -5.327 -0.392 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.030 -6.196 0.677 1.00 0.00 C ATOM 0 H PHE A 113 -10.606 -7.249 -2.630 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.686 -6.566 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.515 -7.160 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.445 -5.413 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.982 -7.784 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.319 -4.657 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.986 -7.764 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.321 -4.636 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.154 -6.184 1.308 1.00 0.00 H new ATOM 1767 N SER A 114 -10.946 -4.135 -1.843 1.00 0.00 N ATOM 1768 CA SER A 114 -11.377 -2.742 -1.806 1.00 0.00 C ATOM 1769 C SER A 114 -12.118 -2.437 -0.508 1.00 0.00 C ATOM 1770 O SER A 114 -11.817 -1.460 0.177 1.00 0.00 O ATOM 1771 CB SER A 114 -12.275 -2.432 -3.005 1.00 0.00 C ATOM 1772 OG SER A 114 -12.646 -1.064 -3.024 1.00 0.00 O ATOM 0 H SER A 114 -11.262 -4.652 -2.663 1.00 0.00 H new ATOM 0 HA SER A 114 -10.489 -2.111 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.754 -2.684 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.169 -3.054 -2.964 1.00 0.00 H new ATOM 0 HG SER A 114 -13.218 -0.891 -3.800 1.00 0.00 H new ATOM 1778 N SER A 115 -13.090 -3.282 -0.176 1.00 0.00 N ATOM 1779 CA SER A 115 -13.878 -3.102 1.037 1.00 0.00 C ATOM 1780 C SER A 115 -13.022 -3.330 2.279 1.00 0.00 C ATOM 1781 O SER A 115 -13.046 -2.534 3.219 1.00 0.00 O ATOM 1782 CB SER A 115 -15.071 -4.059 1.042 1.00 0.00 C ATOM 1783 OG SER A 115 -15.929 -3.799 2.140 1.00 0.00 O ATOM 0 H SER A 115 -13.350 -4.098 -0.731 1.00 0.00 H new ATOM 0 HA SER A 115 -14.245 -2.076 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.627 -3.957 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.715 -5.088 1.090 1.00 0.00 H new ATOM 0 HG SER A 115 -16.684 -4.423 2.120 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.267 -4.424 2.277 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.402 -4.758 3.402 1.00 0.00 C ATOM 1791 C VAL A 116 -10.438 -3.618 3.712 1.00 0.00 C ATOM 1792 O VAL A 116 -10.438 -3.073 4.817 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.593 -6.039 3.127 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.657 -6.340 4.288 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.526 -7.212 2.866 1.00 0.00 C ATOM 0 H VAL A 116 -12.237 -5.094 1.509 1.00 0.00 H new ATOM 0 HA VAL A 116 -12.051 -4.925 4.262 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.987 -5.880 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.094 -7.249 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.966 -5.508 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.240 -6.479 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.938 -8.109 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.160 -7.374 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.150 -6.995 1.999 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.617 -3.261 2.731 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.647 -2.185 2.898 1.00 0.00 C ATOM 1807 C LEU A 117 -9.316 -0.930 3.448 1.00 0.00 C ATOM 1808 O LEU A 117 -8.848 -0.341 4.422 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.969 -1.871 1.563 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.800 -2.778 1.175 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.362 -2.500 -0.255 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.637 -2.590 2.138 1.00 0.00 C ATOM 0 H LEU A 117 -9.604 -3.701 1.811 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.893 -2.516 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.721 -1.923 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.610 -0.842 1.593 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.132 -3.814 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.529 -3.154 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.195 -2.686 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.048 -1.460 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.814 -3.243 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.305 -1.552 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.958 -2.840 3.149 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.416 -0.527 2.819 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.152 0.656 3.249 1.00 0.00 C ATOM 1826 C ALA A 118 -11.392 0.636 4.755 1.00 0.00 C ATOM 1827 O ALA A 118 -11.190 1.639 5.438 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.474 0.755 2.502 1.00 0.00 C ATOM 0 H ALA A 118 -10.817 -1.002 2.010 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.549 1.534 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.013 1.643 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.283 0.825 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.075 -0.131 2.706 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.825 -0.512 5.265 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.092 -0.663 6.690 1.00 0.00 C ATOM 1836 C ALA A 119 -10.820 -0.476 7.509 1.00 0.00 C ATOM 1837 O ALA A 119 -10.847 0.117 8.587 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.708 -2.025 6.970 1.00 0.00 C ATOM 0 H ALA A 119 -11.998 -1.352 4.712 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.800 0.111 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.902 -2.124 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.645 -2.121 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.019 -2.808 6.652 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.707 -0.986 6.991 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.425 -0.876 7.676 1.00 0.00 C ATOM 1846 C GLN A 120 -7.975 0.579 7.759 1.00 0.00 C ATOM 1847 O GLN A 120 -7.454 1.022 8.784 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.365 -1.710 6.956 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.652 -3.203 6.970 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.454 -3.823 8.340 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.731 -3.285 9.179 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.097 -4.961 8.573 1.00 0.00 N ATOM 0 H GLN A 120 -9.668 -1.479 6.099 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.549 -1.257 8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.290 -1.373 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.396 -1.530 7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.677 -3.375 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -7.000 -3.701 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.686 -5.372 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.002 -5.425 9.477 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.179 1.318 6.674 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.793 2.724 6.623 1.00 0.00 C ATOM 1863 C LEU A 121 -8.640 3.556 7.581 1.00 0.00 C ATOM 1864 O LEU A 121 -8.111 4.274 8.430 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.939 3.262 5.198 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.706 3.133 4.303 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.112 3.085 2.838 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.743 4.284 4.554 1.00 0.00 C ATOM 0 H LEU A 121 -8.609 0.967 5.818 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.750 2.800 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.768 2.742 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.213 4.315 5.255 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.198 2.200 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.221 2.993 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.763 2.227 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.643 4.000 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.871 4.176 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.241 5.229 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.426 4.272 5.597 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.957 3.452 7.441 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.878 4.191 8.296 1.00 0.00 C ATOM 1882 C LYS A 122 -10.651 3.849 9.765 1.00 0.00 C ATOM 1883 O LYS A 122 -10.428 4.733 10.592 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.326 3.883 7.908 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.716 4.418 6.541 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.017 3.804 6.052 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.225 4.513 6.646 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.651 3.898 7.934 1.00 0.00 N ATOM 0 H LYS A 122 -10.411 2.863 6.743 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.689 5.255 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.475 2.803 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.993 4.307 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.820 5.502 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.921 4.206 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.060 3.858 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.046 2.748 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.986 5.564 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.052 4.479 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.629 3.556 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.024 3.100 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -15.597 4.608 8.692 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.708 2.559 10.083 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.506 2.100 11.453 1.00 0.00 C ATOM 1904 C HIS A 123 -9.250 2.722 12.055 1.00 0.00 C ATOM 1905 O HIS A 123 -9.319 3.453 13.044 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.403 0.575 11.492 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.537 0.000 12.868 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -9.455 -0.390 13.629 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -11.634 -0.247 13.622 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -9.881 -0.855 14.790 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -11.200 -0.778 14.811 1.00 0.00 N ATOM 0 H HIS A 123 -10.892 1.814 9.411 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.365 2.414 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -11.177 0.150 10.853 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.443 0.273 11.073 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -12.660 -0.061 13.340 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.257 -1.234 15.586 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -11.798 -1.066 15.585 1.00 0.00 H new ATOM 1920 N HIS A 124 -8.102 2.427 11.453 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.830 2.957 11.930 1.00 0.00 C ATOM 1922 C HIS A 124 -6.940 4.450 12.223 1.00 0.00 C ATOM 1923 O HIS A 124 -6.674 4.895 13.340 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.730 2.708 10.898 1.00 0.00 C ATOM 1925 CG HIS A 124 -5.178 1.316 10.935 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.832 1.037 10.826 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.799 0.121 11.072 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.649 -0.269 10.893 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.826 -0.849 11.042 1.00 0.00 N ATOM 0 H HIS A 124 -8.027 1.824 10.634 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.573 2.441 12.855 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -6.126 2.907 9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.919 3.416 11.066 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.861 -0.040 11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.698 -0.777 10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.987 -1.853 11.122 1.00 0.00 H new ATOM 1938 N SER A 125 -7.332 5.220 11.213 1.00 0.00 N ATOM 1939 CA SER A 125 -7.472 6.664 11.361 1.00 0.00 C ATOM 1940 C SER A 125 -8.793 7.014 12.038 1.00 0.00 C ATOM 1941 O SER A 125 -9.538 6.132 12.465 1.00 0.00 O ATOM 1942 CB SER A 125 -7.388 7.349 9.996 1.00 0.00 C ATOM 1943 OG SER A 125 -6.894 8.671 10.118 1.00 0.00 O ATOM 0 H SER A 125 -7.558 4.868 10.283 1.00 0.00 H new ATOM 0 HA SER A 125 -6.656 7.021 11.989 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.738 6.774 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.375 7.368 9.534 1.00 0.00 H new ATOM 0 HG SER A 125 -6.848 9.086 9.232 1.00 0.00 H new ATOM 1949 N SER A 126 -9.077 8.310 12.133 1.00 0.00 N ATOM 1950 CA SER A 126 -10.306 8.779 12.761 1.00 0.00 C ATOM 1951 C SER A 126 -11.368 9.092 11.711 1.00 0.00 C ATOM 1952 O SER A 126 -12.524 8.692 11.842 1.00 0.00 O ATOM 1953 CB SER A 126 -10.029 10.022 13.608 1.00 0.00 C ATOM 1954 OG SER A 126 -11.223 10.526 14.182 1.00 0.00 O ATOM 0 H SER A 126 -8.472 9.053 11.783 1.00 0.00 H new ATOM 0 HA SER A 126 -10.681 7.984 13.406 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.318 9.777 14.397 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.566 10.791 12.990 1.00 0.00 H new ATOM 0 HG SER A 126 -11.018 11.319 14.720 1.00 0.00 H new ATOM 1960 N GLY A 127 -10.965 9.811 10.668 1.00 0.00 N ATOM 1961 CA GLY A 127 -11.893 10.167 9.610 1.00 0.00 C ATOM 1962 C GLY A 127 -11.559 11.500 8.970 1.00 0.00 C ATOM 1963 O GLY A 127 -12.136 12.535 9.305 1.00 0.00 O ATOM 0 H GLY A 127 -10.013 10.153 10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.885 9.389 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.904 10.205 10.015 1.00 0.00 H new ATOM 1967 N PRO A 128 -10.605 11.486 8.027 1.00 0.00 N ATOM 1968 CA PRO A 128 -10.174 12.696 7.320 1.00 0.00 C ATOM 1969 C PRO A 128 -11.242 13.225 6.370 1.00 0.00 C ATOM 1970 O PRO A 128 -11.371 12.753 5.241 1.00 0.00 O ATOM 1971 CB PRO A 128 -8.945 12.228 6.536 1.00 0.00 C ATOM 1972 CG PRO A 128 -9.148 10.764 6.351 1.00 0.00 C ATOM 1973 CD PRO A 128 -9.876 10.289 7.578 1.00 0.00 C ATOM 0 HA PRO A 128 -9.972 13.519 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -8.868 12.741 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -8.025 12.434 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -9.727 10.561 5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -8.194 10.249 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -10.555 9.467 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -9.186 9.929 8.341 1.00 0.00 H new ATOM 1981 N SER A 129 -12.007 14.208 6.835 1.00 0.00 N ATOM 1982 CA SER A 129 -13.067 14.799 6.027 1.00 0.00 C ATOM 1983 C SER A 129 -13.758 13.738 5.176 1.00 0.00 C ATOM 1984 O SER A 129 -13.966 13.926 3.978 1.00 0.00 O ATOM 1985 CB SER A 129 -12.500 15.900 5.129 1.00 0.00 C ATOM 1986 OG SER A 129 -13.516 16.799 4.721 1.00 0.00 O ATOM 0 H SER A 129 -11.912 14.612 7.767 1.00 0.00 H new ATOM 0 HA SER A 129 -13.804 15.234 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 129 -11.721 16.444 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.032 15.453 4.252 1.00 0.00 H new ATOM 0 HG SER A 129 -13.128 17.494 4.149 1.00 0.00 H new ATOM 1992 N SER A 130 -14.111 12.621 5.805 1.00 0.00 N ATOM 1993 CA SER A 130 -14.774 11.527 5.106 1.00 0.00 C ATOM 1994 C SER A 130 -16.028 12.021 4.391 1.00 0.00 C ATOM 1995 O SER A 130 -16.204 11.795 3.194 1.00 0.00 O ATOM 1996 CB SER A 130 -15.139 10.413 6.089 1.00 0.00 C ATOM 1997 OG SER A 130 -15.981 10.898 7.121 1.00 0.00 O ATOM 0 H SER A 130 -13.949 12.450 6.797 1.00 0.00 H new ATOM 0 HA SER A 130 -14.083 11.132 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 130 -15.640 9.604 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 130 -14.231 9.995 6.523 1.00 0.00 H new ATOM 0 HG SER A 130 -16.201 10.166 7.735 1.00 0.00 H new ATOM 2003 N GLY A 131 -16.899 12.697 5.135 1.00 0.00 N ATOM 2004 CA GLY A 131 -18.126 13.212 4.556 1.00 0.00 C ATOM 2005 C GLY A 131 -19.177 12.136 4.373 1.00 0.00 C ATOM 2006 O GLY A 131 -19.266 11.520 3.310 1.00 0.00 O ATOM 0 H GLY A 131 -16.777 12.897 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -18.524 13.999 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -17.905 13.668 3.591 1.00 0.00 H new TER 2010 GLY A 131