USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1097 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 101 LYS NZ :NH3+ -115:sc= -0.108 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.612 K(o=-0.72,f=0.42) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.184 K(o=-0.22,f=-2.6!) USER MOD Set 2.2: A 102 MET CE :methyl 146:sc= -0.0354 (180deg=-0.377) USER MOD Set 3.1: A 59 MET CE :methyl -118:sc= -13.6! (180deg=-12.4!) USER MOD Set 3.2: A 88 MET CE :methyl 150:sc= -15! (180deg=-15.9!) USER MOD Set 3.3: B 72 THR OG1 : rot 84:sc= -0.11! USER MOD Set 4.1: A 51 THR OG1 : rot 29:sc= -1.26 USER MOD Set 4.2: A 97 MET CE :methyl 173:sc= -6.02! (180deg=-5.98!) USER MOD Set 5.1: A 28 THR OG1 : rot -155:sc= -4.87! USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= -1.01 USER MOD Set 6.1: A 13 SER OG : rot 63:sc= 0.962 USER MOD Set 6.2: A 32 THR OG1 : rot 151:sc= 1.02 USER MOD Set 7.1: A 3 HIS : no HD1:sc= -3.47! X(o=-3.5!,f=-3.4) USER MOD Set 7.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0503 K(o=-0.05,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.975 USER MOD Single : A 31 SER OG : rot -48:sc= 1.37 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.234 (180deg=-0.971) USER MOD Single : A 38 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.029) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 36:sc= 0.066 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.707) USER MOD Single : A 49 GLN : amide:sc= -3.06 K(o=-3.1,f=-5!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.116 USER MOD Single : A 55 SER OG : rot 20:sc= -1.61 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= -0.531! (180deg=-0.747!) USER MOD Single : A 58 MET CE :methyl -162:sc= -2.95 (180deg=-3.57!) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= -0.928! (180deg=-1.03!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.17) USER MOD Single : A 75 ASN : amide:sc=-0.00351 X(o=-0.0035,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.3!) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= 0.542 (180deg=-2.32!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-2) USER MOD Single : A 90 SER OG : rot 180:sc= -0.497 USER MOD Single : A 92 ASN : amide:sc=-0.000725 X(o=-0.00072,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.951 K(o=-0.95,f=-0.046) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.00083 K(o=-0.00083,f=1.1) USER MOD Single : A 109 SER OG : rot 96:sc= 1.27 USER MOD Single : A 111 TYR OH : rot -101:sc= 1.78 USER MOD Single : A 112 LYS NZ :NH3+ -138:sc= -1.55 (180deg=-5.15!) USER MOD Single : B 80 THR OG1 : rot 157:sc= -1.05 USER MOD Single : B 81 ASN : amide:sc= 0.39 K(o=0.39,f=-6.4!) USER MOD Single : B 83 SER OG : rot 180:sc= -0.689 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.017 -14.568 8.077 1.00 0.00 N ATOM 2 CA PRO A 1 2.748 -15.226 6.974 1.00 0.00 C ATOM 3 C PRO A 1 1.804 -15.754 5.895 1.00 0.00 C ATOM 4 O PRO A 1 2.040 -16.812 5.312 1.00 0.00 O ATOM 5 CB PRO A 1 3.516 -16.375 7.609 1.00 0.00 C ATOM 6 CG PRO A 1 2.831 -16.599 8.927 1.00 0.00 C ATOM 7 CD PRO A 1 1.648 -15.647 8.990 1.00 0.00 C ATOM 0 H2 PRO A 1 1.191 -14.079 7.732 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.601 -13.874 8.544 1.00 0.00 H new ATOM 0 HA PRO A 1 3.407 -14.514 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.481 -17.269 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.568 -16.123 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.497 -17.633 9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.518 -16.414 9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.725 -16.136 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.487 -15.276 10.002 1.00 0.00 H new ATOM 17 N SER A 2 0.739 -15.010 5.636 1.00 0.00 N ATOM 18 CA SER A 2 -0.242 -15.398 4.629 1.00 0.00 C ATOM 19 C SER A 2 0.252 -15.052 3.228 1.00 0.00 C ATOM 20 O SER A 2 0.232 -15.892 2.329 1.00 0.00 O ATOM 21 CB SER A 2 -1.579 -14.706 4.896 1.00 0.00 C ATOM 22 OG SER A 2 -2.404 -15.495 5.736 1.00 0.00 O ATOM 0 H SER A 2 0.530 -14.131 6.110 1.00 0.00 H new ATOM 0 HA SER A 2 -0.381 -16.477 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.403 -13.736 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.090 -14.519 3.952 1.00 0.00 H new ATOM 0 HG SER A 2 -3.252 -15.029 5.893 1.00 0.00 H new ATOM 28 N HIS A 3 0.695 -13.810 3.053 1.00 0.00 N ATOM 29 CA HIS A 3 1.196 -13.343 1.763 1.00 0.00 C ATOM 30 C HIS A 3 0.096 -13.341 0.716 1.00 0.00 C ATOM 31 O HIS A 3 -0.434 -12.291 0.355 1.00 0.00 O ATOM 32 CB HIS A 3 2.368 -14.210 1.295 1.00 0.00 C ATOM 33 CG HIS A 3 3.585 -14.086 2.158 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.546 -14.174 3.533 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.884 -13.880 1.833 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.767 -14.026 4.017 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.597 -13.847 3.006 1.00 0.00 N ATOM 0 H HIS A 3 0.717 -13.106 3.791 1.00 0.00 H new ATOM 0 HA HIS A 3 1.546 -12.319 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.052 -15.253 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.628 -13.935 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.284 -13.763 0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.039 -14.048 5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.604 -13.707 3.084 1.00 0.00 H new ATOM 46 N SER A 4 -0.245 -14.518 0.232 1.00 0.00 N ATOM 47 CA SER A 4 -1.289 -14.639 -0.773 1.00 0.00 C ATOM 48 C SER A 4 -2.644 -14.303 -0.175 1.00 0.00 C ATOM 49 O SER A 4 -3.007 -14.787 0.897 1.00 0.00 O ATOM 50 CB SER A 4 -1.323 -16.039 -1.382 1.00 0.00 C ATOM 51 OG SER A 4 -1.694 -17.009 -0.418 1.00 0.00 O ATOM 0 H SER A 4 0.181 -15.401 0.514 1.00 0.00 H new ATOM 0 HA SER A 4 -1.061 -13.929 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.028 -16.060 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.343 -16.285 -1.790 1.00 0.00 H new ATOM 0 HG SER A 4 -1.709 -17.896 -0.835 1.00 0.00 H new ATOM 57 N GLY A 5 -3.380 -13.465 -0.880 1.00 0.00 N ATOM 58 CA GLY A 5 -4.690 -13.050 -0.430 1.00 0.00 C ATOM 59 C GLY A 5 -5.477 -12.435 -1.559 1.00 0.00 C ATOM 60 O GLY A 5 -4.988 -12.359 -2.683 1.00 0.00 O ATOM 0 H GLY A 5 -3.090 -13.058 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.230 -13.908 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.589 -12.330 0.382 1.00 0.00 H new ATOM 64 N ALA A 6 -6.693 -11.995 -1.279 1.00 0.00 N ATOM 65 CA ALA A 6 -7.514 -11.387 -2.313 1.00 0.00 C ATOM 66 C ALA A 6 -7.617 -9.883 -2.119 1.00 0.00 C ATOM 67 O ALA A 6 -7.741 -9.393 -0.996 1.00 0.00 O ATOM 68 CB ALA A 6 -8.892 -12.020 -2.349 1.00 0.00 C ATOM 0 H ALA A 6 -7.129 -12.046 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.030 -11.568 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.488 -11.549 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.798 -13.086 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.382 -11.881 -1.385 1.00 0.00 H new ATOM 74 N ALA A 7 -7.561 -9.158 -3.227 1.00 0.00 N ATOM 75 CA ALA A 7 -7.644 -7.706 -3.201 1.00 0.00 C ATOM 76 C ALA A 7 -8.281 -7.182 -4.476 1.00 0.00 C ATOM 77 O ALA A 7 -8.309 -7.875 -5.493 1.00 0.00 O ATOM 78 CB ALA A 7 -6.263 -7.097 -3.006 1.00 0.00 C ATOM 0 H ALA A 7 -7.458 -9.556 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.273 -7.414 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.344 -6.010 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.842 -7.444 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.613 -7.400 -3.827 1.00 0.00 H new ATOM 84 N ILE A 8 -8.801 -5.963 -4.424 1.00 0.00 N ATOM 85 CA ILE A 8 -9.439 -5.378 -5.590 1.00 0.00 C ATOM 86 C ILE A 8 -8.952 -3.960 -5.854 1.00 0.00 C ATOM 87 O ILE A 8 -8.684 -3.193 -4.929 1.00 0.00 O ATOM 88 CB ILE A 8 -10.968 -5.362 -5.443 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.494 -6.779 -5.247 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.602 -4.731 -6.671 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.682 -6.853 -4.315 1.00 0.00 C ATOM 0 H ILE A 8 -8.793 -5.368 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.163 -6.007 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.231 -4.769 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.775 -7.192 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.693 -7.405 -4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.686 -4.724 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.242 -3.708 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.333 -5.308 -7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.006 -7.889 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.400 -6.470 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.498 -6.253 -4.718 1.00 0.00 H new ATOM 103 N PHE A 9 -8.850 -3.625 -7.133 1.00 0.00 N ATOM 104 CA PHE A 9 -8.408 -2.303 -7.550 1.00 0.00 C ATOM 105 C PHE A 9 -9.118 -1.884 -8.836 1.00 0.00 C ATOM 106 O PHE A 9 -9.389 -2.715 -9.703 1.00 0.00 O ATOM 107 CB PHE A 9 -6.892 -2.291 -7.750 1.00 0.00 C ATOM 108 CG PHE A 9 -6.364 -0.970 -8.218 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.435 -0.624 -9.555 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.800 -0.075 -7.324 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.951 0.593 -9.996 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.315 1.144 -7.756 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.390 1.479 -9.095 1.00 0.00 C ATOM 0 H PHE A 9 -9.069 -4.256 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.662 -1.588 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.407 -2.555 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.623 -3.059 -8.475 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.873 -1.312 -10.262 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.739 -0.333 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.011 0.852 -11.043 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.878 1.834 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.011 2.431 -9.437 1.00 0.00 H new ATOM 123 N GLU A 10 -9.427 -0.595 -8.948 1.00 0.00 N ATOM 124 CA GLU A 10 -10.118 -0.066 -10.121 1.00 0.00 C ATOM 125 C GLU A 10 -11.333 -0.916 -10.477 1.00 0.00 C ATOM 126 O GLU A 10 -11.669 -1.082 -11.649 1.00 0.00 O ATOM 127 CB GLU A 10 -9.170 0.024 -11.315 1.00 0.00 C ATOM 128 CG GLU A 10 -8.628 1.423 -11.534 1.00 0.00 C ATOM 129 CD GLU A 10 -7.705 1.513 -12.734 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.146 0.470 -13.132 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.542 2.627 -13.275 1.00 0.00 O ATOM 0 H GLU A 10 -9.209 0.105 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.464 0.937 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.337 -0.663 -11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.694 -0.302 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.461 2.114 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.090 1.743 -10.642 1.00 0.00 H new ATOM 138 N LYS A 11 -11.994 -1.441 -9.452 1.00 0.00 N ATOM 139 CA LYS A 11 -13.183 -2.264 -9.646 1.00 0.00 C ATOM 140 C LYS A 11 -12.840 -3.608 -10.287 1.00 0.00 C ATOM 141 O LYS A 11 -13.719 -4.291 -10.813 1.00 0.00 O ATOM 142 CB LYS A 11 -14.214 -1.525 -10.509 1.00 0.00 C ATOM 143 CG LYS A 11 -14.164 -0.010 -10.369 1.00 0.00 C ATOM 144 CD LYS A 11 -15.481 0.631 -10.774 1.00 0.00 C ATOM 145 CE LYS A 11 -15.434 2.143 -10.624 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.277 2.828 -11.643 1.00 0.00 N ATOM 0 H LYS A 11 -11.727 -1.311 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.609 -2.457 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.054 -1.789 -11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.212 -1.872 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.932 0.254 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.359 0.387 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.709 0.374 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.287 0.228 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.774 2.420 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.403 2.485 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.218 3.857 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.937 2.584 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.265 2.521 -11.539 1.00 0.00 H new ATOM 160 N VAL A 12 -11.567 -3.994 -10.232 1.00 0.00 N ATOM 161 CA VAL A 12 -11.139 -5.266 -10.800 1.00 0.00 C ATOM 162 C VAL A 12 -10.567 -6.159 -9.710 1.00 0.00 C ATOM 163 O VAL A 12 -9.600 -5.792 -9.045 1.00 0.00 O ATOM 164 CB VAL A 12 -10.083 -5.076 -11.905 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.916 -6.359 -12.706 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.461 -3.917 -12.816 1.00 0.00 C ATOM 0 H VAL A 12 -10.820 -3.447 -9.803 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.017 -5.734 -11.245 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.129 -4.839 -11.433 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.166 -6.208 -13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.595 -7.163 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.867 -6.627 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.702 -3.800 -13.590 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.425 -4.120 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.527 -3.000 -12.230 1.00 0.00 H new ATOM 176 N SER A 13 -11.178 -7.323 -9.514 1.00 0.00 N ATOM 177 CA SER A 13 -10.724 -8.243 -8.481 1.00 0.00 C ATOM 178 C SER A 13 -9.590 -9.131 -8.967 1.00 0.00 C ATOM 179 O SER A 13 -9.459 -9.413 -10.158 1.00 0.00 O ATOM 180 CB SER A 13 -11.879 -9.103 -7.972 1.00 0.00 C ATOM 181 OG SER A 13 -12.466 -9.848 -9.026 1.00 0.00 O ATOM 0 H SER A 13 -11.981 -7.648 -10.052 1.00 0.00 H new ATOM 0 HA SER A 13 -10.344 -7.635 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.517 -9.782 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.633 -8.467 -7.509 1.00 0.00 H new ATOM 0 HG SER A 13 -11.802 -10.463 -9.401 1.00 0.00 H new ATOM 187 N GLY A 14 -8.765 -9.547 -8.016 1.00 0.00 N ATOM 188 CA GLY A 14 -7.620 -10.382 -8.308 1.00 0.00 C ATOM 189 C GLY A 14 -7.005 -10.934 -7.041 1.00 0.00 C ATOM 190 O GLY A 14 -7.507 -10.682 -5.946 1.00 0.00 O ATOM 0 H GLY A 14 -8.874 -9.314 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.923 -11.204 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.875 -9.803 -8.854 1.00 0.00 H new ATOM 194 N ILE A 15 -5.917 -11.678 -7.175 1.00 0.00 N ATOM 195 CA ILE A 15 -5.252 -12.243 -6.011 1.00 0.00 C ATOM 196 C ILE A 15 -3.950 -11.504 -5.756 1.00 0.00 C ATOM 197 O ILE A 15 -3.196 -11.203 -6.681 1.00 0.00 O ATOM 198 CB ILE A 15 -4.955 -13.750 -6.174 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.090 -14.444 -6.931 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.748 -14.400 -4.809 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.844 -14.554 -8.420 1.00 0.00 C ATOM 0 H ILE A 15 -5.480 -11.903 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.931 -12.128 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.039 -13.861 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.233 -15.443 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.017 -13.895 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.540 -15.462 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.907 -13.925 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.649 -14.278 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.688 -15.056 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.731 -13.557 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.935 -15.129 -8.597 1.00 0.00 H new ATOM 213 N ILE A 16 -3.717 -11.188 -4.493 1.00 0.00 N ATOM 214 CA ILE A 16 -2.536 -10.450 -4.086 1.00 0.00 C ATOM 215 C ILE A 16 -1.530 -11.380 -3.408 1.00 0.00 C ATOM 216 O ILE A 16 -1.871 -12.090 -2.463 1.00 0.00 O ATOM 217 CB ILE A 16 -2.942 -9.314 -3.125 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.728 -8.518 -2.656 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.716 -9.866 -1.937 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.075 -7.093 -2.290 1.00 0.00 C ATOM 0 H ILE A 16 -4.340 -11.436 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.064 -10.022 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.592 -8.632 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.284 -9.014 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.974 -8.514 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.993 -9.048 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.617 -10.367 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.093 -10.579 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.175 -6.572 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.493 -6.585 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.808 -7.093 -1.483 1.00 0.00 H new ATOM 232 N ALA A 17 -0.296 -11.403 -3.914 1.00 0.00 N ATOM 233 CA ALA A 17 0.730 -12.286 -3.362 1.00 0.00 C ATOM 234 C ALA A 17 2.083 -11.596 -3.205 1.00 0.00 C ATOM 235 O ALA A 17 2.526 -10.864 -4.089 1.00 0.00 O ATOM 236 CB ALA A 17 0.883 -13.506 -4.253 1.00 0.00 C ATOM 0 H ALA A 17 0.014 -10.827 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 17 0.400 -12.578 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.648 -14.164 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.066 -14.040 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.177 -13.191 -5.254 1.00 0.00 H new ATOM 242 N ILE A 18 2.745 -11.866 -2.079 1.00 0.00 N ATOM 243 CA ILE A 18 4.063 -11.303 -1.799 1.00 0.00 C ATOM 244 C ILE A 18 5.164 -12.255 -2.263 1.00 0.00 C ATOM 245 O ILE A 18 5.022 -13.474 -2.177 1.00 0.00 O ATOM 246 CB ILE A 18 4.249 -11.019 -0.296 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.135 -10.108 0.216 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.611 -10.391 -0.035 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.875 -10.254 1.697 1.00 0.00 C ATOM 0 H ILE A 18 2.386 -12.475 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 18 4.133 -10.363 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 18 4.198 -11.966 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.395 -9.072 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.217 -10.326 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.724 -10.198 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.395 -11.072 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.690 -9.453 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.072 -9.579 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.584 -11.281 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.780 -10.007 2.251 1.00 0.00 H new ATOM 261 N ASN A 19 6.257 -11.686 -2.754 1.00 0.00 N ATOM 262 CA ASN A 19 7.388 -12.471 -3.237 1.00 0.00 C ATOM 263 C ASN A 19 8.653 -12.128 -2.472 1.00 0.00 C ATOM 264 O ASN A 19 9.201 -11.034 -2.613 1.00 0.00 O ATOM 265 CB ASN A 19 7.602 -12.226 -4.731 1.00 0.00 C ATOM 266 CG ASN A 19 6.445 -12.729 -5.572 1.00 0.00 C ATOM 267 OD1 ASN A 19 5.527 -13.372 -5.063 1.00 0.00 O ATOM 268 ND2 ASN A 19 6.484 -12.438 -6.867 1.00 0.00 N ATOM 0 H ASN A 19 6.386 -10.677 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 19 7.162 -13.525 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.737 -11.159 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.520 -12.720 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.733 -12.750 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.265 -11.902 -7.246 1.00 0.00 H new ATOM 275 N GLU A 20 9.122 -13.081 -1.675 1.00 0.00 N ATOM 276 CA GLU A 20 10.338 -12.899 -0.898 1.00 0.00 C ATOM 277 C GLU A 20 11.451 -13.760 -1.471 1.00 0.00 C ATOM 278 O GLU A 20 12.361 -14.187 -0.760 1.00 0.00 O ATOM 279 CB GLU A 20 10.099 -13.246 0.573 1.00 0.00 C ATOM 280 CG GLU A 20 9.378 -14.568 0.776 1.00 0.00 C ATOM 281 CD GLU A 20 9.471 -15.069 2.204 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.910 -14.407 3.103 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.104 -16.123 2.424 1.00 0.00 O ATOM 0 H GLU A 20 8.676 -13.990 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 20 10.634 -11.852 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.058 -13.281 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.517 -12.449 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.329 -14.451 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.801 -15.315 0.104 1.00 0.00 H new ATOM 290 N ASP A 21 11.364 -14.001 -2.770 1.00 0.00 N ATOM 291 CA ASP A 21 12.353 -14.804 -3.476 1.00 0.00 C ATOM 292 C ASP A 21 13.327 -13.911 -4.235 1.00 0.00 C ATOM 293 O ASP A 21 14.452 -14.314 -4.531 1.00 0.00 O ATOM 294 CB ASP A 21 11.664 -15.768 -4.443 1.00 0.00 C ATOM 295 CG ASP A 21 10.845 -16.822 -3.724 1.00 0.00 C ATOM 296 OD1 ASP A 21 9.808 -16.463 -3.126 1.00 0.00 O ATOM 297 OD2 ASP A 21 11.239 -18.007 -3.759 1.00 0.00 O ATOM 0 H ASP A 21 10.612 -13.649 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 21 12.912 -15.382 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.016 -15.204 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.416 -16.256 -5.062 1.00 0.00 H new ATOM 302 N VAL A 22 12.890 -12.692 -4.543 1.00 0.00 N ATOM 303 CA VAL A 22 13.733 -11.741 -5.262 1.00 0.00 C ATOM 304 C VAL A 22 14.320 -10.712 -4.301 1.00 0.00 C ATOM 305 O VAL A 22 13.863 -10.585 -3.165 1.00 0.00 O ATOM 306 CB VAL A 22 12.963 -11.004 -6.386 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.427 -11.481 -7.753 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.457 -11.185 -6.240 1.00 0.00 C ATOM 0 H VAL A 22 11.962 -12.341 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 22 14.533 -12.320 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 22 13.181 -9.940 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.875 -10.952 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.493 -11.282 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.247 -12.552 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.947 -10.655 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.211 -12.246 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.134 -10.784 -5.279 1.00 0.00 H new ATOM 318 N SER A 23 15.335 -9.976 -4.757 1.00 0.00 N ATOM 319 CA SER A 23 15.970 -8.962 -3.919 1.00 0.00 C ATOM 320 C SER A 23 14.916 -8.061 -3.279 1.00 0.00 C ATOM 321 O SER A 23 14.702 -8.117 -2.068 1.00 0.00 O ATOM 322 CB SER A 23 16.966 -8.129 -4.728 1.00 0.00 C ATOM 323 OG SER A 23 16.823 -8.366 -6.118 1.00 0.00 O ATOM 0 H SER A 23 15.731 -10.063 -5.693 1.00 0.00 H new ATOM 0 HA SER A 23 16.519 -9.472 -3.127 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.812 -7.070 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.983 -8.371 -4.418 1.00 0.00 H new ATOM 0 HG SER A 23 17.470 -7.820 -6.611 1.00 0.00 H new ATOM 329 N PRO A 24 14.217 -7.233 -4.080 1.00 0.00 N ATOM 330 CA PRO A 24 13.172 -6.361 -3.562 1.00 0.00 C ATOM 331 C PRO A 24 11.885 -7.129 -3.341 1.00 0.00 C ATOM 332 O PRO A 24 11.021 -7.165 -4.217 1.00 0.00 O ATOM 333 CB PRO A 24 12.978 -5.339 -4.672 1.00 0.00 C ATOM 334 CG PRO A 24 13.303 -6.089 -5.919 1.00 0.00 C ATOM 335 CD PRO A 24 14.362 -7.099 -5.545 1.00 0.00 C ATOM 0 HA PRO A 24 13.437 -5.918 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.956 -4.959 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.635 -4.479 -4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.417 -6.584 -6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.666 -5.415 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.204 -8.051 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.359 -6.754 -5.819 1.00 0.00 H new ATOM 343 N ALA A 25 11.762 -7.750 -2.174 1.00 0.00 N ATOM 344 CA ALA A 25 10.569 -8.525 -1.850 1.00 0.00 C ATOM 345 C ALA A 25 9.336 -7.762 -2.285 1.00 0.00 C ATOM 346 O ALA A 25 8.902 -6.832 -1.617 1.00 0.00 O ATOM 347 CB ALA A 25 10.506 -8.842 -0.369 1.00 0.00 C ATOM 0 H ALA A 25 12.469 -7.733 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 25 10.613 -9.473 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.606 -9.420 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.384 -9.421 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.482 -7.913 0.201 1.00 0.00 H new ATOM 353 N GLU A 26 8.814 -8.138 -3.437 1.00 0.00 N ATOM 354 CA GLU A 26 7.663 -7.461 -4.015 1.00 0.00 C ATOM 355 C GLU A 26 6.445 -8.369 -4.086 1.00 0.00 C ATOM 356 O GLU A 26 6.541 -9.567 -3.844 1.00 0.00 O ATOM 357 CB GLU A 26 8.027 -6.928 -5.397 1.00 0.00 C ATOM 358 CG GLU A 26 8.813 -7.913 -6.248 1.00 0.00 C ATOM 359 CD GLU A 26 9.178 -7.347 -7.606 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.255 -7.049 -8.393 1.00 0.00 O ATOM 361 OE2 GLU A 26 10.387 -7.200 -7.883 1.00 0.00 O ATOM 0 H GLU A 26 9.170 -8.913 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 26 7.395 -6.628 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.112 -6.657 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.611 -6.015 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.723 -8.198 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.225 -8.821 -6.383 1.00 0.00 H new ATOM 368 N LEU A 27 5.293 -7.786 -4.410 1.00 0.00 N ATOM 369 CA LEU A 27 4.058 -8.532 -4.496 1.00 0.00 C ATOM 370 C LEU A 27 3.304 -8.148 -5.751 1.00 0.00 C ATOM 371 O LEU A 27 3.256 -6.973 -6.115 1.00 0.00 O ATOM 372 CB LEU A 27 3.189 -8.255 -3.265 1.00 0.00 C ATOM 373 CG LEU A 27 2.643 -6.828 -3.167 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.296 -6.720 -3.868 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.522 -6.403 -1.712 1.00 0.00 C ATOM 0 H LEU A 27 5.198 -6.792 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 27 4.294 -9.595 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.349 -8.950 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.775 -8.466 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 27 3.343 -6.158 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.925 -5.698 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.411 -6.982 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.586 -7.402 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.132 -5.386 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.843 -7.078 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.504 -6.440 -1.239 1.00 0.00 H new ATOM 387 N THR A 28 2.709 -9.128 -6.413 1.00 0.00 N ATOM 388 CA THR A 28 1.960 -8.845 -7.621 1.00 0.00 C ATOM 389 C THR A 28 0.510 -9.253 -7.469 1.00 0.00 C ATOM 390 O THR A 28 0.175 -10.182 -6.735 1.00 0.00 O ATOM 391 CB THR A 28 2.595 -9.511 -8.838 1.00 0.00 C ATOM 392 OG1 THR A 28 3.883 -8.982 -9.082 1.00 0.00 O ATOM 393 CG2 THR A 28 1.782 -9.351 -10.105 1.00 0.00 C ATOM 0 H THR A 28 2.730 -10.110 -6.138 1.00 0.00 H new ATOM 0 HA THR A 28 1.990 -7.768 -7.784 1.00 0.00 H new ATOM 0 HB THR A 28 2.644 -10.572 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.111 -9.100 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.292 -9.849 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.798 -9.798 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.670 -8.291 -10.334 1.00 0.00 H new ATOM 401 N TRP A 29 -0.343 -8.509 -8.144 1.00 0.00 N ATOM 402 CA TRP A 29 -1.775 -8.725 -8.081 1.00 0.00 C ATOM 403 C TRP A 29 -2.346 -9.128 -9.437 1.00 0.00 C ATOM 404 O TRP A 29 -2.401 -8.320 -10.356 1.00 0.00 O ATOM 405 CB TRP A 29 -2.423 -7.436 -7.597 1.00 0.00 C ATOM 406 CG TRP A 29 -3.902 -7.510 -7.469 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.606 -7.860 -6.357 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.863 -7.208 -8.483 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.949 -7.790 -6.612 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.135 -7.394 -7.911 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.774 -6.797 -9.818 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.308 -7.183 -8.623 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.946 -6.590 -10.524 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.197 -6.781 -9.925 1.00 0.00 C ATOM 0 H TRP A 29 -0.064 -7.738 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.985 -9.544 -7.393 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.998 -7.170 -6.629 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.169 -6.633 -8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.169 -8.150 -5.413 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.691 -7.999 -5.944 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.813 -6.645 -10.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.274 -7.331 -8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.895 -6.275 -11.556 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.092 -6.607 -10.503 1.00 0.00 H new ATOM 425 N ARG A 30 -2.779 -10.379 -9.552 1.00 0.00 N ATOM 426 CA ARG A 30 -3.352 -10.875 -10.801 1.00 0.00 C ATOM 427 C ARG A 30 -4.870 -10.985 -10.697 1.00 0.00 C ATOM 428 O ARG A 30 -5.390 -11.664 -9.811 1.00 0.00 O ATOM 429 CB ARG A 30 -2.753 -12.238 -11.153 1.00 0.00 C ATOM 430 CG ARG A 30 -3.055 -12.686 -12.574 1.00 0.00 C ATOM 431 CD ARG A 30 -3.014 -14.200 -12.701 1.00 0.00 C ATOM 432 NE ARG A 30 -2.388 -14.628 -13.950 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.910 -15.853 -14.159 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.984 -16.773 -13.205 1.00 0.00 N ATOM 435 NH2 ARG A 30 -1.356 -16.159 -15.324 1.00 0.00 N ATOM 0 H ARG A 30 -2.745 -11.067 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.111 -10.164 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.672 -12.197 -11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.135 -12.984 -10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.039 -12.321 -12.870 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.331 -12.243 -13.258 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.465 -14.620 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.028 -14.596 -12.650 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.313 -13.948 -14.707 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.409 -16.543 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.616 -17.710 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.296 -15.456 -16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.990 -17.098 -15.484 1.00 0.00 H new ATOM 449 N SER A 31 -5.581 -10.315 -11.605 1.00 0.00 N ATOM 450 CA SER A 31 -7.041 -10.349 -11.601 1.00 0.00 C ATOM 451 C SER A 31 -7.555 -11.785 -11.619 1.00 0.00 C ATOM 452 O SER A 31 -6.914 -12.678 -12.174 1.00 0.00 O ATOM 453 CB SER A 31 -7.597 -9.580 -12.799 1.00 0.00 C ATOM 454 OG SER A 31 -6.913 -9.923 -13.990 1.00 0.00 O ATOM 0 H SER A 31 -5.172 -9.747 -12.347 1.00 0.00 H new ATOM 0 HA SER A 31 -7.385 -9.872 -10.683 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.659 -9.796 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.507 -8.509 -12.620 1.00 0.00 H new ATOM 0 HG SER A 31 -5.946 -9.894 -13.832 1.00 0.00 H new ATOM 460 N THR A 32 -8.714 -12.002 -11.004 1.00 0.00 N ATOM 461 CA THR A 32 -9.313 -13.331 -10.946 1.00 0.00 C ATOM 462 C THR A 32 -9.531 -13.897 -12.343 1.00 0.00 C ATOM 463 O THR A 32 -9.483 -15.109 -12.550 1.00 0.00 O ATOM 464 CB THR A 32 -10.640 -13.283 -10.186 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.168 -11.968 -10.179 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.522 -13.737 -8.747 1.00 0.00 C ATOM 0 H THR A 32 -9.257 -11.274 -10.539 1.00 0.00 H new ATOM 0 HA THR A 32 -8.623 -13.988 -10.416 1.00 0.00 H new ATOM 0 HB THR A 32 -11.300 -13.971 -10.715 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.146 -12.008 -10.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.498 -13.678 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.165 -14.766 -8.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.818 -13.094 -8.219 1.00 0.00 H new ATOM 474 N ASP A 33 -9.773 -13.010 -13.296 1.00 0.00 N ATOM 475 CA ASP A 33 -10.001 -13.411 -14.676 1.00 0.00 C ATOM 476 C ASP A 33 -8.685 -13.702 -15.387 1.00 0.00 C ATOM 477 O ASP A 33 -8.635 -14.497 -16.326 1.00 0.00 O ATOM 478 CB ASP A 33 -10.773 -12.324 -15.426 1.00 0.00 C ATOM 479 CG ASP A 33 -12.274 -12.511 -15.331 1.00 0.00 C ATOM 480 OD1 ASP A 33 -12.749 -13.639 -15.581 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.975 -11.530 -15.007 1.00 0.00 O ATOM 0 H ASP A 33 -9.817 -12.003 -13.138 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.594 -14.326 -14.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.505 -11.348 -15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.475 -12.328 -16.474 1.00 0.00 H new ATOM 486 N GLY A 34 -7.624 -13.048 -14.935 1.00 0.00 N ATOM 487 CA GLY A 34 -6.319 -13.239 -15.536 1.00 0.00 C ATOM 488 C GLY A 34 -6.063 -12.281 -16.684 1.00 0.00 C ATOM 489 O GLY A 34 -5.065 -12.406 -17.394 1.00 0.00 O ATOM 0 H GLY A 34 -7.644 -12.386 -14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.549 -13.104 -14.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.235 -14.264 -15.897 1.00 0.00 H new ATOM 493 N ASP A 35 -6.970 -11.325 -16.872 1.00 0.00 N ATOM 494 CA ASP A 35 -6.840 -10.351 -17.942 1.00 0.00 C ATOM 495 C ASP A 35 -5.926 -9.195 -17.539 1.00 0.00 C ATOM 496 O ASP A 35 -5.444 -8.451 -18.393 1.00 0.00 O ATOM 497 CB ASP A 35 -8.216 -9.813 -18.339 1.00 0.00 C ATOM 498 CG ASP A 35 -9.001 -9.299 -17.148 1.00 0.00 C ATOM 499 OD1 ASP A 35 -8.467 -8.446 -16.408 1.00 0.00 O ATOM 500 OD2 ASP A 35 -10.151 -9.749 -16.956 1.00 0.00 O ATOM 0 H ASP A 35 -7.802 -11.208 -16.294 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.389 -10.856 -18.796 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.093 -9.009 -19.064 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.784 -10.603 -18.832 1.00 0.00 H new ATOM 505 N LYS A 36 -5.691 -9.047 -16.238 1.00 0.00 N ATOM 506 CA LYS A 36 -4.837 -7.980 -15.738 1.00 0.00 C ATOM 507 C LYS A 36 -4.051 -8.431 -14.514 1.00 0.00 C ATOM 508 O LYS A 36 -4.549 -9.194 -13.687 1.00 0.00 O ATOM 509 CB LYS A 36 -5.669 -6.743 -15.407 1.00 0.00 C ATOM 510 CG LYS A 36 -6.474 -6.852 -14.125 1.00 0.00 C ATOM 511 CD LYS A 36 -6.958 -5.487 -13.674 1.00 0.00 C ATOM 512 CE LYS A 36 -5.797 -4.564 -13.341 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.534 -3.586 -14.433 1.00 0.00 N ATOM 0 H LYS A 36 -6.080 -9.652 -15.515 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.124 -7.726 -16.522 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.004 -5.883 -15.332 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.351 -6.547 -16.234 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.327 -7.512 -14.281 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.862 -7.302 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.567 -5.038 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.598 -5.598 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.013 -4.027 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.901 -5.158 -13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.508 -3.459 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.938 -3.942 -15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.972 -2.673 -14.195 1.00 0.00 H new ATOM 527 N VAL A 37 -2.822 -7.948 -14.406 1.00 0.00 N ATOM 528 CA VAL A 37 -1.959 -8.289 -13.288 1.00 0.00 C ATOM 529 C VAL A 37 -1.068 -7.106 -12.918 1.00 0.00 C ATOM 530 O VAL A 37 -0.269 -6.644 -13.733 1.00 0.00 O ATOM 531 CB VAL A 37 -1.087 -9.521 -13.612 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.448 -9.375 -14.984 1.00 0.00 C ATOM 533 CG2 VAL A 37 -0.028 -9.742 -12.540 1.00 0.00 C ATOM 0 H VAL A 37 -2.399 -7.315 -15.085 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.598 -8.533 -12.439 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.733 -10.399 -13.625 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.163 -10.252 -15.196 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.227 -9.284 -15.741 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.179 -8.484 -15.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.571 -10.616 -12.795 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.617 -8.865 -12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.513 -9.903 -11.577 1.00 0.00 H new ATOM 543 N HIS A 38 -1.209 -6.616 -11.691 1.00 0.00 N ATOM 544 CA HIS A 38 -0.412 -5.487 -11.234 1.00 0.00 C ATOM 545 C HIS A 38 0.648 -5.924 -10.227 1.00 0.00 C ATOM 546 O HIS A 38 0.341 -6.267 -9.087 1.00 0.00 O ATOM 547 CB HIS A 38 -1.315 -4.422 -10.608 1.00 0.00 C ATOM 548 CG HIS A 38 -0.748 -3.038 -10.683 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.171 -2.006 -9.871 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.215 -2.517 -11.481 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.493 -0.911 -10.167 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.353 -1.194 -11.139 1.00 0.00 N ATOM 0 H HIS A 38 -1.864 -6.981 -11.000 1.00 0.00 H new ATOM 0 HA HIS A 38 0.097 -5.067 -12.101 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.283 -4.437 -11.110 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.493 -4.677 -9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.770 -3.043 -12.243 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.611 0.052 -9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.004 -0.536 -11.567 1.00 0.00 H new ATOM 561 N THR A 39 1.897 -5.876 -10.663 1.00 0.00 N ATOM 562 CA THR A 39 3.039 -6.236 -9.822 1.00 0.00 C ATOM 563 C THR A 39 3.516 -5.008 -9.053 1.00 0.00 C ATOM 564 O THR A 39 4.124 -4.105 -9.628 1.00 0.00 O ATOM 565 CB THR A 39 4.179 -6.767 -10.698 1.00 0.00 C ATOM 566 OG1 THR A 39 3.811 -7.985 -11.319 1.00 0.00 O ATOM 567 CG2 THR A 39 5.468 -7.008 -9.938 1.00 0.00 C ATOM 0 H THR A 39 2.152 -5.588 -11.607 1.00 0.00 H new ATOM 0 HA THR A 39 2.736 -7.010 -9.117 1.00 0.00 H new ATOM 0 HB THR A 39 4.357 -5.985 -11.436 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.552 -8.306 -11.874 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.229 -7.383 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.809 -6.073 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.295 -7.742 -9.151 1.00 0.00 H new ATOM 575 N VAL A 40 3.248 -4.979 -7.755 1.00 0.00 N ATOM 576 CA VAL A 40 3.664 -3.859 -6.922 1.00 0.00 C ATOM 577 C VAL A 40 4.954 -4.197 -6.194 1.00 0.00 C ATOM 578 O VAL A 40 4.968 -5.056 -5.312 1.00 0.00 O ATOM 579 CB VAL A 40 2.585 -3.485 -5.887 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.987 -2.227 -5.130 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.234 -3.301 -6.564 1.00 0.00 C ATOM 0 H VAL A 40 2.747 -5.715 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 40 3.820 -3.005 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 40 2.496 -4.301 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.214 -1.977 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.930 -2.400 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.105 -1.402 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.485 -3.037 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.304 -2.504 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.944 -4.229 -7.056 1.00 0.00 H new ATOM 591 N VAL A 41 6.042 -3.535 -6.569 1.00 0.00 N ATOM 592 CA VAL A 41 7.322 -3.805 -5.938 1.00 0.00 C ATOM 593 C VAL A 41 7.452 -3.097 -4.603 1.00 0.00 C ATOM 594 O VAL A 41 7.704 -1.894 -4.539 1.00 0.00 O ATOM 595 CB VAL A 41 8.523 -3.430 -6.828 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.794 -4.105 -6.313 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.260 -3.814 -8.276 1.00 0.00 C ATOM 0 H VAL A 41 6.062 -2.819 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 41 7.342 -4.883 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 41 8.662 -2.350 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.635 -3.832 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.991 -3.778 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.663 -5.187 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.120 -3.540 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.095 -4.889 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.376 -3.288 -8.637 1.00 0.00 H new ATOM 607 N LEU A 42 7.301 -3.870 -3.535 1.00 0.00 N ATOM 608 CA LEU A 42 7.419 -3.353 -2.179 1.00 0.00 C ATOM 609 C LEU A 42 8.679 -2.509 -2.031 1.00 0.00 C ATOM 610 O LEU A 42 8.756 -1.635 -1.168 1.00 0.00 O ATOM 611 CB LEU A 42 7.467 -4.514 -1.192 1.00 0.00 C ATOM 612 CG LEU A 42 6.120 -5.193 -0.917 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.274 -6.708 -0.850 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.514 -4.661 0.373 1.00 0.00 C ATOM 0 H LEU A 42 7.094 -4.868 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 42 6.552 -2.726 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.163 -5.263 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.872 -4.151 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 42 5.447 -4.960 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.304 -7.164 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.663 -7.077 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.966 -6.968 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.558 -5.152 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.190 -4.864 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.359 -3.586 0.286 1.00 0.00 H new ATOM 626 N SER A 43 9.663 -2.772 -2.887 1.00 0.00 N ATOM 627 CA SER A 43 10.914 -2.027 -2.854 1.00 0.00 C ATOM 628 C SER A 43 10.642 -0.568 -3.160 1.00 0.00 C ATOM 629 O SER A 43 11.070 0.329 -2.434 1.00 0.00 O ATOM 630 CB SER A 43 11.918 -2.609 -3.853 1.00 0.00 C ATOM 631 OG SER A 43 12.745 -1.598 -4.406 1.00 0.00 O ATOM 0 H SER A 43 9.617 -3.492 -3.608 1.00 0.00 H new ATOM 0 HA SER A 43 11.349 -2.108 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.537 -3.356 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.383 -3.121 -4.653 1.00 0.00 H new ATOM 0 HG SER A 43 13.376 -2.001 -5.038 1.00 0.00 H new ATOM 637 N THR A 44 9.897 -0.350 -4.227 1.00 0.00 N ATOM 638 CA THR A 44 9.519 0.986 -4.631 1.00 0.00 C ATOM 639 C THR A 44 8.492 1.545 -3.653 1.00 0.00 C ATOM 640 O THR A 44 8.304 2.758 -3.559 1.00 0.00 O ATOM 641 CB THR A 44 8.947 0.964 -6.046 1.00 0.00 C ATOM 642 OG1 THR A 44 8.262 -0.250 -6.291 1.00 0.00 O ATOM 643 CG2 THR A 44 10.000 1.123 -7.120 1.00 0.00 C ATOM 0 H THR A 44 9.540 -1.089 -4.832 1.00 0.00 H new ATOM 0 HA THR A 44 10.401 1.627 -4.624 1.00 0.00 H new ATOM 0 HB THR A 44 8.269 1.816 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.808 -0.541 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.526 1.099 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.513 2.076 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.721 0.309 -7.045 1.00 0.00 H new ATOM 651 N ILE A 45 7.834 0.647 -2.916 1.00 0.00 N ATOM 652 CA ILE A 45 6.835 1.057 -1.935 1.00 0.00 C ATOM 653 C ILE A 45 7.488 1.335 -0.584 1.00 0.00 C ATOM 654 O ILE A 45 8.222 0.499 -0.056 1.00 0.00 O ATOM 655 CB ILE A 45 5.739 -0.012 -1.758 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.180 -0.431 -3.120 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.626 0.513 -0.863 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.451 0.681 -3.844 1.00 0.00 C ATOM 0 H ILE A 45 7.976 -0.361 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 45 6.373 1.969 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 45 6.180 -0.887 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.999 -0.785 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.499 -1.271 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.860 -0.254 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.035 0.767 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.185 1.402 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.082 0.312 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.611 1.020 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.134 1.513 -4.015 1.00 0.00 H new ATOM 670 N ASP A 46 7.229 2.517 -0.033 1.00 0.00 N ATOM 671 CA ASP A 46 7.807 2.903 1.251 1.00 0.00 C ATOM 672 C ASP A 46 6.742 3.004 2.341 1.00 0.00 C ATOM 673 O ASP A 46 7.049 2.895 3.528 1.00 0.00 O ATOM 674 CB ASP A 46 8.540 4.239 1.117 1.00 0.00 C ATOM 675 CG ASP A 46 9.412 4.544 2.320 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.876 4.582 3.447 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.631 4.745 2.133 1.00 0.00 O ATOM 0 H ASP A 46 6.624 3.223 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 46 8.514 2.126 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.158 4.223 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.811 5.039 0.988 1.00 0.00 H new ATOM 682 N LYS A 47 5.494 3.216 1.939 1.00 0.00 N ATOM 683 CA LYS A 47 4.397 3.335 2.893 1.00 0.00 C ATOM 684 C LYS A 47 3.451 2.143 2.791 1.00 0.00 C ATOM 685 O LYS A 47 3.394 1.465 1.765 1.00 0.00 O ATOM 686 CB LYS A 47 3.626 4.635 2.659 1.00 0.00 C ATOM 687 CG LYS A 47 3.333 5.406 3.937 1.00 0.00 C ATOM 688 CD LYS A 47 3.633 6.888 3.778 1.00 0.00 C ATOM 689 CE LYS A 47 2.787 7.513 2.681 1.00 0.00 C ATOM 690 NZ LYS A 47 3.369 8.793 2.192 1.00 0.00 N ATOM 0 H LYS A 47 5.217 3.309 0.962 1.00 0.00 H new ATOM 0 HA LYS A 47 4.824 3.350 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.198 5.271 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.685 4.405 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.286 5.273 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.930 4.999 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.445 7.402 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.689 7.024 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.697 6.814 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.780 7.692 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.062 8.962 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.045 9.575 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.407 8.737 2.225 1.00 0.00 H new ATOM 704 N LEU A 48 2.714 1.896 3.866 1.00 0.00 N ATOM 705 CA LEU A 48 1.766 0.789 3.913 1.00 0.00 C ATOM 706 C LEU A 48 0.659 1.081 4.920 1.00 0.00 C ATOM 707 O LEU A 48 0.932 1.416 6.072 1.00 0.00 O ATOM 708 CB LEU A 48 2.489 -0.507 4.285 1.00 0.00 C ATOM 709 CG LEU A 48 2.021 -1.749 3.530 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.885 -1.983 2.300 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.048 -2.965 4.442 1.00 0.00 C ATOM 0 H LEU A 48 2.755 2.450 4.721 1.00 0.00 H new ATOM 0 HA LEU A 48 1.317 0.672 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.556 -0.373 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.363 -0.681 5.354 1.00 0.00 H new ATOM 0 HG LEU A 48 0.994 -1.588 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.537 -2.872 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.816 -1.120 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.922 -2.125 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.712 -3.842 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.065 -3.129 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.387 -2.797 5.292 1.00 0.00 H new ATOM 723 N GLN A 49 -0.592 0.968 4.481 1.00 0.00 N ATOM 724 CA GLN A 49 -1.725 1.242 5.358 1.00 0.00 C ATOM 725 C GLN A 49 -2.788 0.147 5.284 1.00 0.00 C ATOM 726 O GLN A 49 -3.133 -0.331 4.205 1.00 0.00 O ATOM 727 CB GLN A 49 -2.352 2.591 4.997 1.00 0.00 C ATOM 728 CG GLN A 49 -1.331 3.682 4.714 1.00 0.00 C ATOM 729 CD GLN A 49 -1.217 4.008 3.238 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.705 3.211 2.452 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.693 5.188 2.855 1.00 0.00 N ATOM 0 H GLN A 49 -0.845 0.691 3.532 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.346 1.269 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.987 2.464 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.997 2.912 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.608 4.583 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.357 3.368 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.109 5.817 3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.642 5.465 1.875 1.00 0.00 H new ATOM 740 N ALA A 50 -3.314 -0.225 6.448 1.00 0.00 N ATOM 741 CA ALA A 50 -4.355 -1.242 6.542 1.00 0.00 C ATOM 742 C ALA A 50 -5.469 -0.770 7.463 1.00 0.00 C ATOM 743 O ALA A 50 -5.243 0.053 8.348 1.00 0.00 O ATOM 744 CB ALA A 50 -3.786 -2.554 7.045 1.00 0.00 C ATOM 0 H ALA A 50 -3.032 0.167 7.346 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.762 -1.405 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.582 -3.296 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.016 -2.904 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.350 -2.407 8.033 1.00 0.00 H new ATOM 750 N THR A 51 -6.674 -1.274 7.247 1.00 0.00 N ATOM 751 CA THR A 51 -7.815 -0.871 8.059 1.00 0.00 C ATOM 752 C THR A 51 -7.793 -1.539 9.437 1.00 0.00 C ATOM 753 O THR A 51 -7.916 -2.758 9.554 1.00 0.00 O ATOM 754 CB THR A 51 -9.113 -1.186 7.326 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.361 -2.579 7.306 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.103 -0.691 5.897 1.00 0.00 C ATOM 0 H THR A 51 -6.888 -1.958 6.522 1.00 0.00 H new ATOM 0 HA THR A 51 -7.751 0.205 8.221 1.00 0.00 H new ATOM 0 HB THR A 51 -9.899 -0.668 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.966 -2.993 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.050 -0.940 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.965 0.390 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.286 -1.166 5.353 1.00 0.00 H new ATOM 764 N PRO A 52 -7.625 -0.727 10.498 1.00 0.00 N ATOM 765 CA PRO A 52 -7.569 -1.184 11.882 1.00 0.00 C ATOM 766 C PRO A 52 -8.925 -1.121 12.570 1.00 0.00 C ATOM 767 O PRO A 52 -9.864 -0.512 12.056 1.00 0.00 O ATOM 768 CB PRO A 52 -6.621 -0.172 12.503 1.00 0.00 C ATOM 769 CG PRO A 52 -6.976 1.107 11.824 1.00 0.00 C ATOM 770 CD PRO A 52 -7.459 0.738 10.437 1.00 0.00 C ATOM 0 HA PRO A 52 -7.258 -2.225 11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.758 -0.104 13.582 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.579 -0.441 12.331 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.752 1.637 12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.113 1.770 11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.397 1.237 10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.738 1.027 9.673 1.00 0.00 H new ATOM 778 N ALA A 53 -9.020 -1.750 13.739 1.00 0.00 N ATOM 779 CA ALA A 53 -10.258 -1.764 14.519 1.00 0.00 C ATOM 780 C ALA A 53 -10.875 -0.365 14.678 1.00 0.00 C ATOM 781 O ALA A 53 -11.980 -0.233 15.204 1.00 0.00 O ATOM 782 CB ALA A 53 -10.003 -2.381 15.886 1.00 0.00 C ATOM 0 H ALA A 53 -8.249 -2.260 14.170 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.978 -2.369 13.968 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.929 -2.388 16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.645 -3.403 15.763 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.252 -1.795 16.415 1.00 0.00 H new ATOM 788 N SER A 54 -10.175 0.676 14.217 1.00 0.00 N ATOM 789 CA SER A 54 -10.684 2.042 14.311 1.00 0.00 C ATOM 790 C SER A 54 -11.987 2.165 13.551 1.00 0.00 C ATOM 791 O SER A 54 -12.868 2.948 13.906 1.00 0.00 O ATOM 792 CB SER A 54 -9.673 2.996 13.696 1.00 0.00 C ATOM 793 OG SER A 54 -8.420 2.916 14.354 1.00 0.00 O ATOM 0 H SER A 54 -9.258 0.597 13.777 1.00 0.00 H new ATOM 0 HA SER A 54 -10.849 2.286 15.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.546 2.762 12.639 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.052 4.017 13.754 1.00 0.00 H new ATOM 0 HG SER A 54 -7.790 3.539 13.935 1.00 0.00 H new ATOM 799 N SER A 55 -12.092 1.373 12.507 1.00 0.00 N ATOM 800 CA SER A 55 -13.273 1.353 11.669 1.00 0.00 C ATOM 801 C SER A 55 -13.624 -0.079 11.280 1.00 0.00 C ATOM 802 O SER A 55 -12.863 -1.008 11.550 1.00 0.00 O ATOM 803 CB SER A 55 -13.016 2.186 10.421 1.00 0.00 C ATOM 804 OG SER A 55 -13.235 3.564 10.672 1.00 0.00 O ATOM 0 H SER A 55 -11.362 0.724 12.214 1.00 0.00 H new ATOM 0 HA SER A 55 -14.113 1.774 12.222 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.991 2.033 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.670 1.852 9.616 1.00 0.00 H new ATOM 0 HG SER A 55 -13.188 3.732 11.636 1.00 0.00 H new ATOM 810 N GLU A 56 -14.765 -0.250 10.624 1.00 0.00 N ATOM 811 CA GLU A 56 -15.195 -1.569 10.175 1.00 0.00 C ATOM 812 C GLU A 56 -14.783 -1.774 8.723 1.00 0.00 C ATOM 813 O GLU A 56 -15.472 -2.443 7.952 1.00 0.00 O ATOM 814 CB GLU A 56 -16.711 -1.717 10.320 1.00 0.00 C ATOM 815 CG GLU A 56 -17.502 -0.700 9.513 1.00 0.00 C ATOM 816 CD GLU A 56 -18.814 -1.258 8.997 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.683 -1.595 9.828 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.972 -1.357 7.762 1.00 0.00 O ATOM 0 H GLU A 56 -15.408 0.506 10.391 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.716 -2.327 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.001 -2.720 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.978 -1.620 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.702 0.174 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.899 -0.362 8.670 1.00 0.00 H new ATOM 825 N LYS A 57 -13.659 -1.166 8.359 1.00 0.00 N ATOM 826 CA LYS A 57 -13.137 -1.236 7.007 1.00 0.00 C ATOM 827 C LYS A 57 -12.387 -2.539 6.751 1.00 0.00 C ATOM 828 O LYS A 57 -12.357 -3.437 7.593 1.00 0.00 O ATOM 829 CB LYS A 57 -12.205 -0.048 6.753 1.00 0.00 C ATOM 830 CG LYS A 57 -12.917 1.201 6.262 1.00 0.00 C ATOM 831 CD LYS A 57 -14.074 1.586 7.172 1.00 0.00 C ATOM 832 CE LYS A 57 -14.060 3.072 7.496 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.796 3.871 6.479 1.00 0.00 N ATOM 0 H LYS A 57 -13.087 -0.612 8.996 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.985 -1.201 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.674 0.188 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.454 -0.339 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.207 2.026 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.289 1.034 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.017 1.326 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.018 1.011 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.507 3.233 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.029 3.421 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.677 4.884 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.420 3.660 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.807 3.628 6.512 1.00 0.00 H new ATOM 847 N MET A 58 -11.782 -2.619 5.573 1.00 0.00 N ATOM 848 CA MET A 58 -11.017 -3.786 5.156 1.00 0.00 C ATOM 849 C MET A 58 -10.340 -3.491 3.825 1.00 0.00 C ATOM 850 O MET A 58 -10.903 -3.747 2.761 1.00 0.00 O ATOM 851 CB MET A 58 -11.928 -5.007 5.026 1.00 0.00 C ATOM 852 CG MET A 58 -13.251 -4.708 4.338 1.00 0.00 C ATOM 853 SD MET A 58 -14.663 -5.409 5.210 1.00 0.00 S ATOM 854 CE MET A 58 -15.362 -6.436 3.923 1.00 0.00 C ATOM 0 H MET A 58 -11.808 -1.873 4.878 1.00 0.00 H new ATOM 0 HA MET A 58 -10.260 -4.006 5.909 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.405 -5.783 4.467 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.127 -5.409 6.019 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.378 -3.628 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.225 -5.102 3.322 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.393 -6.685 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.341 -5.897 2.976 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.779 -7.353 3.832 1.00 0.00 H new ATOM 864 N MET A 59 -9.141 -2.922 3.889 1.00 0.00 N ATOM 865 CA MET A 59 -8.411 -2.561 2.685 1.00 0.00 C ATOM 866 C MET A 59 -6.947 -2.248 2.990 1.00 0.00 C ATOM 867 O MET A 59 -6.624 -1.696 4.042 1.00 0.00 O ATOM 868 CB MET A 59 -9.089 -1.353 2.023 1.00 0.00 C ATOM 869 CG MET A 59 -8.929 -0.051 2.798 1.00 0.00 C ATOM 870 SD MET A 59 -10.491 0.583 3.452 1.00 0.00 S ATOM 871 CE MET A 59 -9.915 1.990 4.409 1.00 0.00 C ATOM 0 H MET A 59 -8.658 -2.702 4.760 1.00 0.00 H new ATOM 0 HA MET A 59 -8.427 -3.411 2.003 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.677 -1.221 1.022 1.00 0.00 H new ATOM 0 HB3 MET A 59 -10.152 -1.565 1.905 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.234 -0.209 3.623 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.484 0.700 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.164 1.842 5.460 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.834 2.085 4.302 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.397 2.898 4.047 1.00 0.00 H new ATOM 881 N LEU A 60 -6.068 -2.598 2.054 1.00 0.00 N ATOM 882 CA LEU A 60 -4.637 -2.350 2.205 1.00 0.00 C ATOM 883 C LEU A 60 -4.164 -1.330 1.173 1.00 0.00 C ATOM 884 O LEU A 60 -4.466 -1.452 -0.012 1.00 0.00 O ATOM 885 CB LEU A 60 -3.845 -3.654 2.041 1.00 0.00 C ATOM 886 CG LEU A 60 -4.098 -4.721 3.110 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.101 -5.865 2.969 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.016 -4.112 4.502 1.00 0.00 C ATOM 0 H LEU A 60 -6.324 -3.056 1.179 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.463 -1.954 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.079 -4.080 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.782 -3.414 2.037 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.102 -5.119 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.296 -6.614 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.206 -6.319 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.088 -5.481 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.198 -4.885 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.024 -3.686 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.767 -3.328 4.601 1.00 0.00 H new ATOM 900 N ARG A 61 -3.422 -0.324 1.626 1.00 0.00 N ATOM 901 CA ARG A 61 -2.914 0.710 0.729 1.00 0.00 C ATOM 902 C ARG A 61 -1.388 0.736 0.736 1.00 0.00 C ATOM 903 O ARG A 61 -0.760 0.689 1.793 1.00 0.00 O ATOM 904 CB ARG A 61 -3.463 2.083 1.129 1.00 0.00 C ATOM 905 CG ARG A 61 -2.879 3.233 0.320 1.00 0.00 C ATOM 906 CD ARG A 61 -3.964 4.151 -0.222 1.00 0.00 C ATOM 907 NE ARG A 61 -3.528 5.546 -0.262 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.359 6.587 -0.251 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.672 6.400 -0.198 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.874 7.820 -0.291 1.00 0.00 N ATOM 0 H ARG A 61 -3.160 -0.202 2.604 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.251 0.475 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.547 2.080 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.258 2.253 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.196 3.808 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.293 2.834 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.244 3.829 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.855 4.067 0.400 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.526 5.734 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.051 5.454 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.302 7.203 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.866 7.970 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.509 8.618 -0.283 1.00 0.00 H new ATOM 924 N LEU A 62 -0.800 0.816 -0.454 1.00 0.00 N ATOM 925 CA LEU A 62 0.651 0.854 -0.590 1.00 0.00 C ATOM 926 C LEU A 62 1.086 2.108 -1.341 1.00 0.00 C ATOM 927 O LEU A 62 0.555 2.419 -2.407 1.00 0.00 O ATOM 928 CB LEU A 62 1.153 -0.395 -1.323 1.00 0.00 C ATOM 929 CG LEU A 62 0.406 -1.692 -0.999 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.233 -1.856 0.505 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.944 -1.719 -1.701 1.00 0.00 C ATOM 0 H LEU A 62 -1.307 0.856 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 62 1.087 0.875 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.088 -0.216 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.208 -0.535 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 62 1.001 -2.529 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.300 -2.784 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.212 -1.886 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.337 -1.015 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.461 -2.648 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.544 -0.872 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.795 -1.656 -2.779 1.00 0.00 H new ATOM 943 N ILE A 63 2.051 2.828 -0.779 1.00 0.00 N ATOM 944 CA ILE A 63 2.547 4.051 -1.400 1.00 0.00 C ATOM 945 C ILE A 63 3.979 3.893 -1.887 1.00 0.00 C ATOM 946 O ILE A 63 4.787 3.195 -1.275 1.00 0.00 O ATOM 947 CB ILE A 63 2.482 5.253 -0.443 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.153 5.268 0.306 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.678 6.551 -1.211 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.060 5.218 -0.597 1.00 0.00 C ATOM 0 H ILE A 63 2.504 2.587 0.103 1.00 0.00 H new ATOM 0 HA ILE A 63 1.893 4.239 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 63 3.286 5.159 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.122 4.418 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.102 6.169 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.629 7.393 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.651 6.540 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.894 6.652 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.966 5.232 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.055 6.082 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.035 4.304 -1.190 1.00 0.00 H new ATOM 962 N GLY A 64 4.276 4.552 -2.995 1.00 0.00 N ATOM 963 CA GLY A 64 5.607 4.490 -3.571 1.00 0.00 C ATOM 964 C GLY A 64 6.685 4.945 -2.606 1.00 0.00 C ATOM 965 O GLY A 64 6.464 4.999 -1.396 1.00 0.00 O ATOM 0 H GLY A 64 3.616 5.134 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.815 3.467 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.640 5.112 -4.466 1.00 0.00 H new ATOM 969 N LYS A 65 7.857 5.270 -3.143 1.00 0.00 N ATOM 970 CA LYS A 65 8.978 5.719 -2.323 1.00 0.00 C ATOM 971 C LYS A 65 9.114 7.239 -2.350 1.00 0.00 C ATOM 972 O LYS A 65 9.744 7.828 -1.472 1.00 0.00 O ATOM 973 CB LYS A 65 10.278 5.075 -2.808 1.00 0.00 C ATOM 974 CG LYS A 65 11.371 5.040 -1.752 1.00 0.00 C ATOM 975 CD LYS A 65 11.486 3.666 -1.113 1.00 0.00 C ATOM 976 CE LYS A 65 12.375 2.744 -1.932 1.00 0.00 C ATOM 977 NZ LYS A 65 13.676 3.383 -2.272 1.00 0.00 N ATOM 0 H LYS A 65 8.056 5.231 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 65 8.782 5.413 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.069 4.057 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.642 5.622 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.324 5.313 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.159 5.783 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.892 3.765 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.494 3.225 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.557 1.825 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.858 2.463 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.272 2.704 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.507 4.218 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.158 3.675 -1.398 1.00 0.00 H new ATOM 991 N VAL A 66 8.524 7.872 -3.362 1.00 0.00 N ATOM 992 CA VAL A 66 8.589 9.326 -3.495 1.00 0.00 C ATOM 993 C VAL A 66 8.148 10.019 -2.210 1.00 0.00 C ATOM 994 O VAL A 66 7.476 9.421 -1.368 1.00 0.00 O ATOM 995 CB VAL A 66 7.716 9.835 -4.659 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.071 11.273 -5.002 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.863 8.939 -5.880 1.00 0.00 C ATOM 0 H VAL A 66 7.998 7.403 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 66 9.631 9.569 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 66 6.674 9.804 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.445 11.616 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.904 11.907 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.119 11.329 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.237 9.319 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.905 8.930 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.553 7.925 -5.627 1.00 0.00 H new ATOM 1007 N ASP A 67 8.534 11.281 -2.064 1.00 0.00 N ATOM 1008 CA ASP A 67 8.184 12.058 -0.879 1.00 0.00 C ATOM 1009 C ASP A 67 7.492 13.370 -1.251 1.00 0.00 C ATOM 1010 O ASP A 67 6.814 13.975 -0.421 1.00 0.00 O ATOM 1011 CB ASP A 67 9.436 12.350 -0.051 1.00 0.00 C ATOM 1012 CG ASP A 67 9.732 11.256 0.955 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.270 10.204 0.548 1.00 0.00 O ATOM 1014 OD2 ASP A 67 9.427 11.450 2.151 1.00 0.00 O ATOM 0 H ASP A 67 9.090 11.789 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 67 7.487 11.464 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.290 12.467 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.309 13.297 0.473 1.00 0.00 H new ATOM 1019 N GLU A 68 7.672 13.809 -2.499 1.00 0.00 N ATOM 1020 CA GLU A 68 7.072 15.054 -2.982 1.00 0.00 C ATOM 1021 C GLU A 68 7.229 16.174 -1.959 1.00 0.00 C ATOM 1022 O GLU A 68 6.394 17.074 -1.870 1.00 0.00 O ATOM 1023 CB GLU A 68 5.591 14.851 -3.320 1.00 0.00 C ATOM 1024 CG GLU A 68 4.810 14.099 -2.254 1.00 0.00 C ATOM 1025 CD GLU A 68 3.334 13.983 -2.583 1.00 0.00 C ATOM 1026 OE1 GLU A 68 2.883 14.648 -3.539 1.00 0.00 O ATOM 1027 OE2 GLU A 68 2.628 13.227 -1.882 1.00 0.00 O ATOM 0 H GLU A 68 8.231 13.318 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 68 7.600 15.343 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.128 15.825 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.515 14.308 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.232 13.101 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.926 14.608 -1.297 1.00 0.00 H new ATOM 1034 N SER A 69 8.310 16.106 -1.189 1.00 0.00 N ATOM 1035 CA SER A 69 8.588 17.105 -0.170 1.00 0.00 C ATOM 1036 C SER A 69 9.943 17.765 -0.399 1.00 0.00 C ATOM 1037 O SER A 69 10.141 18.934 -0.066 1.00 0.00 O ATOM 1038 CB SER A 69 8.539 16.475 1.223 1.00 0.00 C ATOM 1039 OG SER A 69 9.111 17.336 2.192 1.00 0.00 O ATOM 0 H SER A 69 9.009 15.366 -1.254 1.00 0.00 H new ATOM 0 HA SER A 69 7.819 17.875 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.505 16.257 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.074 15.525 1.215 1.00 0.00 H new ATOM 0 HG SER A 69 9.066 16.911 3.074 1.00 0.00 H new ATOM 1045 N LYS A 70 10.871 17.008 -0.966 1.00 0.00 N ATOM 1046 CA LYS A 70 12.209 17.510 -1.241 1.00 0.00 C ATOM 1047 C LYS A 70 12.211 18.442 -2.449 1.00 0.00 C ATOM 1048 O LYS A 70 13.060 19.326 -2.558 1.00 0.00 O ATOM 1049 CB LYS A 70 13.174 16.347 -1.479 1.00 0.00 C ATOM 1050 CG LYS A 70 12.707 15.380 -2.555 1.00 0.00 C ATOM 1051 CD LYS A 70 12.057 14.145 -1.951 1.00 0.00 C ATOM 1052 CE LYS A 70 12.428 12.888 -2.721 1.00 0.00 C ATOM 1053 NZ LYS A 70 11.642 12.754 -3.979 1.00 0.00 N ATOM 0 H LYS A 70 10.720 16.039 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 70 12.539 18.077 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.149 16.746 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.309 15.801 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.997 15.881 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.556 15.082 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.367 14.041 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.974 14.266 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.492 12.908 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.258 12.014 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.925 11.884 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.628 12.709 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.823 13.575 -4.591 1.00 0.00 H new ATOM 1067 N LYS A 71 11.243 18.247 -3.344 1.00 0.00 N ATOM 1068 CA LYS A 71 11.112 19.068 -4.540 1.00 0.00 C ATOM 1069 C LYS A 71 12.408 19.173 -5.333 1.00 0.00 C ATOM 1070 O LYS A 71 13.503 18.968 -4.812 1.00 0.00 O ATOM 1071 CB LYS A 71 10.644 20.466 -4.160 1.00 0.00 C ATOM 1072 CG LYS A 71 9.157 20.536 -3.912 1.00 0.00 C ATOM 1073 CD LYS A 71 8.837 20.373 -2.437 1.00 0.00 C ATOM 1074 CE LYS A 71 7.339 20.431 -2.181 1.00 0.00 C ATOM 1075 NZ LYS A 71 6.906 21.780 -1.723 1.00 0.00 N ATOM 0 H LYS A 71 10.533 17.519 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 71 10.377 18.577 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.173 20.791 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.908 21.162 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.771 21.492 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.653 19.757 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.231 19.421 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.335 21.157 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.804 20.169 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.070 19.689 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.879 21.778 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.397 22.020 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.139 22.485 -2.451 1.00 0.00 H new ATOM 1089 N ARG A 72 12.260 19.533 -6.600 1.00 0.00 N ATOM 1090 CA ARG A 72 13.393 19.720 -7.491 1.00 0.00 C ATOM 1091 C ARG A 72 13.642 21.213 -7.683 1.00 0.00 C ATOM 1092 O ARG A 72 14.719 21.631 -8.108 1.00 0.00 O ATOM 1093 CB ARG A 72 13.125 19.054 -8.841 1.00 0.00 C ATOM 1094 CG ARG A 72 12.569 17.644 -8.724 1.00 0.00 C ATOM 1095 CD ARG A 72 11.053 17.648 -8.613 1.00 0.00 C ATOM 1096 NE ARG A 72 10.431 16.746 -9.580 1.00 0.00 N ATOM 1097 CZ ARG A 72 10.240 17.050 -10.862 1.00 0.00 C ATOM 1098 NH1 ARG A 72 10.620 18.230 -11.336 1.00 0.00 N ATOM 1099 NH2 ARG A 72 9.667 16.170 -11.673 1.00 0.00 N ATOM 0 H ARG A 72 11.354 19.703 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 72 14.276 19.258 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.423 19.667 -9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.053 19.024 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.869 17.060 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.997 17.155 -7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.763 17.354 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.681 18.660 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 72 10.125 15.829 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.061 18.910 -10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.471 18.457 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.373 15.262 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.520 16.402 -12.655 1.00 0.00 H new ATOM 1113 N LYS A 73 12.622 22.010 -7.357 1.00 0.00 N ATOM 1114 CA LYS A 73 12.694 23.459 -7.474 1.00 0.00 C ATOM 1115 C LYS A 73 12.823 23.884 -8.934 1.00 0.00 C ATOM 1116 O LYS A 73 12.733 23.057 -9.841 1.00 0.00 O ATOM 1117 CB LYS A 73 13.869 24.004 -6.660 1.00 0.00 C ATOM 1118 CG LYS A 73 13.487 24.432 -5.253 1.00 0.00 C ATOM 1119 CD LYS A 73 13.240 23.232 -4.354 1.00 0.00 C ATOM 1120 CE LYS A 73 14.518 22.447 -4.109 1.00 0.00 C ATOM 1121 NZ LYS A 73 14.441 21.633 -2.864 1.00 0.00 N ATOM 0 H LYS A 73 11.728 21.666 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 73 11.768 23.875 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.644 23.240 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.300 24.856 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.281 25.047 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.590 25.051 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.830 23.568 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.494 22.581 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.710 21.792 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.360 23.136 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.399 21.347 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.006 22.197 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.865 20.785 -3.039 1.00 0.00 H new ATOM 1135 N ASP A 74 13.036 25.178 -9.154 1.00 0.00 N ATOM 1136 CA ASP A 74 13.179 25.710 -10.499 1.00 0.00 C ATOM 1137 C ASP A 74 14.074 26.946 -10.503 1.00 0.00 C ATOM 1138 O ASP A 74 14.535 27.394 -9.454 1.00 0.00 O ATOM 1139 CB ASP A 74 11.808 26.049 -11.088 1.00 0.00 C ATOM 1140 CG ASP A 74 11.325 24.999 -12.069 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.839 23.862 -12.023 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.433 25.315 -12.885 1.00 0.00 O ATOM 0 H ASP A 74 13.113 25.876 -8.414 1.00 0.00 H new ATOM 0 HA ASP A 74 13.648 24.945 -11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.083 26.148 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.860 27.015 -11.590 1.00 0.00 H new ATOM 1147 N ASN A 75 14.316 27.491 -11.691 1.00 0.00 N ATOM 1148 CA ASN A 75 15.157 28.675 -11.833 1.00 0.00 C ATOM 1149 C ASN A 75 14.604 29.838 -11.023 1.00 0.00 C ATOM 1150 O ASN A 75 15.354 30.659 -10.495 1.00 0.00 O ATOM 1151 CB ASN A 75 15.268 29.073 -13.305 1.00 0.00 C ATOM 1152 CG ASN A 75 16.263 28.217 -14.063 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.409 28.614 -14.274 1.00 0.00 O ATOM 1154 ND2 ASN A 75 15.829 27.032 -14.479 1.00 0.00 N ATOM 0 H ASN A 75 13.942 27.132 -12.569 1.00 0.00 H new ATOM 0 HA ASN A 75 16.149 28.431 -11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.288 28.989 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.566 30.119 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.454 26.412 -14.995 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.871 26.742 -14.283 1.00 0.00 H new ATOM 1161 N GLU A 76 13.286 29.897 -10.931 1.00 0.00 N ATOM 1162 CA GLU A 76 12.614 30.949 -10.189 1.00 0.00 C ATOM 1163 C GLU A 76 12.157 30.451 -8.821 1.00 0.00 C ATOM 1164 O GLU A 76 11.848 31.245 -7.933 1.00 0.00 O ATOM 1165 CB GLU A 76 11.416 31.476 -10.981 1.00 0.00 C ATOM 1166 CG GLU A 76 11.784 32.023 -12.350 1.00 0.00 C ATOM 1167 CD GLU A 76 11.519 31.029 -13.464 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.385 30.161 -13.704 1.00 0.00 O ATOM 1169 OE2 GLU A 76 10.447 31.119 -14.098 1.00 0.00 O ATOM 0 H GLU A 76 12.656 29.222 -11.365 1.00 0.00 H new ATOM 0 HA GLU A 76 13.326 31.760 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.690 30.672 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.927 32.262 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.216 32.934 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.839 32.298 -12.356 1.00 0.00 H new ATOM 1176 N GLY A 77 12.115 29.131 -8.658 1.00 0.00 N ATOM 1177 CA GLY A 77 11.692 28.553 -7.397 1.00 0.00 C ATOM 1178 C GLY A 77 10.254 28.076 -7.435 1.00 0.00 C ATOM 1179 O GLY A 77 9.578 28.038 -6.407 1.00 0.00 O ATOM 0 H GLY A 77 12.367 28.453 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.343 27.716 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.806 29.293 -6.605 1.00 0.00 H new ATOM 1183 N ASN A 78 9.786 27.713 -8.624 1.00 0.00 N ATOM 1184 CA ASN A 78 8.418 27.236 -8.795 1.00 0.00 C ATOM 1185 C ASN A 78 8.195 25.937 -8.029 1.00 0.00 C ATOM 1186 O ASN A 78 7.173 25.763 -7.366 1.00 0.00 O ATOM 1187 CB ASN A 78 8.110 27.026 -10.278 1.00 0.00 C ATOM 1188 CG ASN A 78 6.670 27.353 -10.622 1.00 0.00 C ATOM 1189 OD1 ASN A 78 5.894 27.770 -9.762 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.305 27.164 -11.885 1.00 0.00 N ATOM 0 H ASN A 78 10.334 27.740 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 78 7.744 27.993 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.774 27.650 -10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.318 25.990 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.348 27.366 -12.175 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.981 26.817 -12.565 1.00 0.00 H new ATOM 1197 N GLU A 79 9.160 25.028 -8.124 1.00 0.00 N ATOM 1198 CA GLU A 79 9.070 23.743 -7.439 1.00 0.00 C ATOM 1199 C GLU A 79 7.866 22.948 -7.932 1.00 0.00 C ATOM 1200 O GLU A 79 6.944 23.504 -8.530 1.00 0.00 O ATOM 1201 CB GLU A 79 8.973 23.950 -5.926 1.00 0.00 C ATOM 1202 CG GLU A 79 9.870 25.060 -5.400 1.00 0.00 C ATOM 1203 CD GLU A 79 10.450 24.744 -4.035 1.00 0.00 C ATOM 1204 OE1 GLU A 79 10.590 23.545 -3.713 1.00 0.00 O ATOM 1205 OE2 GLU A 79 10.764 25.695 -3.289 1.00 0.00 O ATOM 0 H GLU A 79 10.013 25.157 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 79 9.975 23.178 -7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.939 24.177 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.232 23.018 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.683 25.230 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.299 25.987 -5.342 1.00 0.00 H new ATOM 1212 N VAL A 80 7.879 21.644 -7.676 1.00 0.00 N ATOM 1213 CA VAL A 80 6.788 20.772 -8.092 1.00 0.00 C ATOM 1214 C VAL A 80 6.533 19.681 -7.058 1.00 0.00 C ATOM 1215 O VAL A 80 7.403 19.362 -6.248 1.00 0.00 O ATOM 1216 CB VAL A 80 7.082 20.111 -9.454 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.346 19.269 -9.380 1.00 0.00 C ATOM 1218 CG2 VAL A 80 5.898 19.269 -9.912 1.00 0.00 C ATOM 0 H VAL A 80 8.634 21.168 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 80 5.901 21.399 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 80 7.241 20.900 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.536 18.811 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.190 19.903 -9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.220 18.489 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.127 18.812 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.701 18.488 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.017 19.903 -10.012 1.00 0.00 H new ATOM 1228 N VAL A 81 5.335 19.110 -7.097 1.00 0.00 N ATOM 1229 CA VAL A 81 4.960 18.054 -6.177 1.00 0.00 C ATOM 1230 C VAL A 81 4.752 16.738 -6.920 1.00 0.00 C ATOM 1231 O VAL A 81 3.632 16.402 -7.301 1.00 0.00 O ATOM 1232 CB VAL A 81 3.677 18.409 -5.403 1.00 0.00 C ATOM 1233 CG1 VAL A 81 3.391 17.368 -4.333 1.00 0.00 C ATOM 1234 CG2 VAL A 81 3.791 19.797 -4.791 1.00 0.00 C ATOM 0 H VAL A 81 4.605 19.366 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 81 5.778 17.943 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 81 2.842 18.412 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.481 17.637 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.262 16.392 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.225 17.327 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.876 20.031 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.637 19.824 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.942 20.532 -5.582 1.00 0.00 H new ATOM 1244 N PRO A 82 5.837 15.975 -7.142 1.00 0.00 N ATOM 1245 CA PRO A 82 5.772 14.691 -7.848 1.00 0.00 C ATOM 1246 C PRO A 82 4.687 13.773 -7.296 1.00 0.00 C ATOM 1247 O PRO A 82 4.934 12.979 -6.390 1.00 0.00 O ATOM 1248 CB PRO A 82 7.157 14.092 -7.602 1.00 0.00 C ATOM 1249 CG PRO A 82 8.044 15.273 -7.438 1.00 0.00 C ATOM 1250 CD PRO A 82 7.214 16.302 -6.725 1.00 0.00 C ATOM 0 HA PRO A 82 5.522 14.815 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.166 13.462 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.475 13.469 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.934 15.019 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.385 15.645 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.333 16.236 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.492 17.315 -7.015 1.00 0.00 H new ATOM 1258 N LYS A 83 3.483 13.890 -7.853 1.00 0.00 N ATOM 1259 CA LYS A 83 2.349 13.072 -7.423 1.00 0.00 C ATOM 1260 C LYS A 83 2.754 11.605 -7.260 1.00 0.00 C ATOM 1261 O LYS A 83 2.878 10.877 -8.245 1.00 0.00 O ATOM 1262 CB LYS A 83 1.203 13.180 -8.433 1.00 0.00 C ATOM 1263 CG LYS A 83 0.849 14.609 -8.813 1.00 0.00 C ATOM 1264 CD LYS A 83 0.642 15.481 -7.585 1.00 0.00 C ATOM 1265 CE LYS A 83 0.112 16.856 -7.960 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.191 17.882 -7.983 1.00 0.00 N ATOM 0 H LYS A 83 3.267 14.545 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 83 2.016 13.448 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.474 12.631 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.319 12.695 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.644 15.030 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.058 14.611 -9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.057 14.994 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.586 15.587 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.363 16.807 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.657 17.155 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.016 18.586 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.110 17.423 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.202 18.354 -8.910 1.00 0.00 H new ATOM 1280 N PRO A 84 2.966 11.150 -6.012 1.00 0.00 N ATOM 1281 CA PRO A 84 3.359 9.764 -5.734 1.00 0.00 C ATOM 1282 C PRO A 84 2.334 8.759 -6.250 1.00 0.00 C ATOM 1283 O PRO A 84 1.141 9.052 -6.313 1.00 0.00 O ATOM 1284 CB PRO A 84 3.439 9.705 -4.204 1.00 0.00 C ATOM 1285 CG PRO A 84 3.595 11.122 -3.770 1.00 0.00 C ATOM 1286 CD PRO A 84 2.843 11.944 -4.777 1.00 0.00 C ATOM 0 HA PRO A 84 4.294 9.503 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.540 9.259 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.282 9.097 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.195 11.270 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.646 11.408 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.801 12.082 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.276 12.938 -4.891 1.00 0.00 H new ATOM 1294 N GLN A 85 2.809 7.573 -6.616 1.00 0.00 N ATOM 1295 CA GLN A 85 1.933 6.525 -7.124 1.00 0.00 C ATOM 1296 C GLN A 85 1.195 5.833 -5.982 1.00 0.00 C ATOM 1297 O GLN A 85 1.404 4.649 -5.718 1.00 0.00 O ATOM 1298 CB GLN A 85 2.740 5.500 -7.924 1.00 0.00 C ATOM 1299 CG GLN A 85 3.023 5.932 -9.354 1.00 0.00 C ATOM 1300 CD GLN A 85 2.831 4.806 -10.352 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.081 4.940 -11.319 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.510 3.688 -10.121 1.00 0.00 N ATOM 0 H GLN A 85 3.795 7.314 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 85 1.196 6.987 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.686 5.317 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.198 4.555 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.366 6.761 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.046 6.303 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.120 3.621 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.421 2.896 -10.758 1.00 0.00 H new ATOM 1311 N ARG A 86 0.329 6.582 -5.306 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.440 6.043 -4.191 1.00 0.00 C ATOM 1313 C ARG A 86 -1.665 5.285 -4.692 1.00 0.00 C ATOM 1314 O ARG A 86 -2.393 5.767 -5.560 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.874 7.170 -3.251 1.00 0.00 C ATOM 1316 CG ARG A 86 0.288 7.962 -2.673 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.009 9.453 -2.648 1.00 0.00 C ATOM 1318 NE ARG A 86 0.711 10.137 -1.577 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.485 9.930 -0.282 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.439 9.060 0.107 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.184 10.594 0.628 1.00 0.00 N ATOM 0 H ARG A 86 0.143 7.564 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 86 0.198 5.348 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.533 7.850 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.456 6.746 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.498 7.615 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.184 7.779 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.264 9.893 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.080 9.607 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 86 1.429 10.813 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.980 8.546 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.608 8.906 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.895 11.264 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.010 10.435 1.620 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.887 4.097 -4.139 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.026 3.273 -4.531 1.00 0.00 C ATOM 1337 C HIS A 87 -3.649 2.592 -3.317 1.00 0.00 C ATOM 1338 O HIS A 87 -2.946 2.024 -2.482 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.601 2.219 -5.560 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.190 1.743 -5.395 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.186 2.041 -6.292 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.616 0.986 -4.430 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.943 1.487 -5.886 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.709 0.842 -4.759 1.00 0.00 N ATOM 0 H HIS A 87 -1.295 3.683 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.772 3.927 -4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.273 1.364 -5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.719 2.634 -6.561 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.297 2.601 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.109 0.572 -3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.896 1.551 -6.391 1.00 0.00 H new ATOM 1353 N MET A 88 -4.974 2.651 -3.230 1.00 0.00 N ATOM 1354 CA MET A 88 -5.696 2.038 -2.120 1.00 0.00 C ATOM 1355 C MET A 88 -6.319 0.716 -2.551 1.00 0.00 C ATOM 1356 O MET A 88 -7.229 0.687 -3.379 1.00 0.00 O ATOM 1357 CB MET A 88 -6.784 2.985 -1.604 1.00 0.00 C ATOM 1358 CG MET A 88 -7.544 2.456 -0.394 1.00 0.00 C ATOM 1359 SD MET A 88 -8.747 3.645 0.240 1.00 0.00 S ATOM 1360 CE MET A 88 -8.874 3.166 1.966 1.00 0.00 C ATOM 0 H MET A 88 -5.570 3.117 -3.914 1.00 0.00 H new ATOM 0 HA MET A 88 -4.986 1.844 -1.316 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.327 3.940 -1.344 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.493 3.180 -2.409 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.058 1.534 -0.666 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.835 2.205 0.395 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.111 4.042 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.663 2.422 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.926 2.743 2.297 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.825 -0.376 -1.980 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.336 -1.702 -2.299 1.00 0.00 C ATOM 1372 C PHE A 89 -7.421 -2.089 -1.306 1.00 0.00 C ATOM 1373 O PHE A 89 -7.203 -2.038 -0.099 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.198 -2.724 -2.273 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.064 -3.489 -3.553 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.163 -4.119 -4.109 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.844 -3.569 -4.204 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.050 -4.816 -5.294 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.725 -4.266 -5.388 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.830 -4.888 -5.933 1.00 0.00 C ATOM 0 H PHE A 89 -5.071 -0.369 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.766 -1.688 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.260 -2.209 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.365 -3.424 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.119 -4.065 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.978 -3.081 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.914 -5.304 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.769 -4.325 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.739 -5.432 -6.862 1.00 0.00 H new ATOM 1390 N SER A 90 -8.597 -2.451 -1.811 1.00 0.00 N ATOM 1391 CA SER A 90 -9.710 -2.809 -0.940 1.00 0.00 C ATOM 1392 C SER A 90 -10.317 -4.152 -1.312 1.00 0.00 C ATOM 1393 O SER A 90 -10.655 -4.397 -2.469 1.00 0.00 O ATOM 1394 CB SER A 90 -10.789 -1.731 -1.010 1.00 0.00 C ATOM 1395 OG SER A 90 -10.299 -0.485 -0.544 1.00 0.00 O ATOM 0 H SER A 90 -8.802 -2.504 -2.809 1.00 0.00 H new ATOM 0 HA SER A 90 -9.319 -2.887 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.137 -1.627 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.649 -2.034 -0.412 1.00 0.00 H new ATOM 0 HG SER A 90 -11.009 0.188 -0.601 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.475 -5.011 -0.312 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.069 -6.322 -0.519 1.00 0.00 C ATOM 1403 C PHE A 91 -12.197 -6.549 0.480 1.00 0.00 C ATOM 1404 O PHE A 91 -12.377 -5.766 1.411 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.031 -7.453 -0.415 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.662 -7.045 0.067 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.946 -6.039 -0.564 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.081 -7.700 1.138 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.682 -5.693 -0.129 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.818 -7.361 1.573 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.117 -6.355 0.941 1.00 0.00 C ATOM 0 H PHE A 91 -10.199 -4.821 0.651 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.470 -6.343 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.420 -8.217 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.927 -7.916 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.382 -5.520 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.624 -8.487 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.136 -4.905 -0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.377 -7.883 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.128 -6.086 1.283 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.957 -7.618 0.279 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.071 -7.936 1.164 1.00 0.00 C ATOM 1423 C ASN A 92 -13.640 -8.894 2.268 1.00 0.00 C ATOM 1424 O ASN A 92 -14.452 -9.656 2.792 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.224 -8.547 0.365 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.032 -7.500 -0.377 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -17.169 -7.201 -0.010 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.448 -6.938 -1.428 1.00 0.00 N ATOM 0 H ASN A 92 -12.823 -8.278 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.407 -7.009 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.826 -9.268 -0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.880 -9.096 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.943 -6.228 -1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.504 -7.216 -1.696 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.358 -8.853 2.618 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.830 -9.723 3.661 1.00 0.00 C ATOM 1437 C ASN A 93 -11.036 -8.935 4.695 1.00 0.00 C ATOM 1438 O ASN A 93 -9.965 -8.406 4.400 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.951 -10.815 3.048 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.754 -12.019 2.598 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.344 -12.017 1.517 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.782 -13.056 3.427 1.00 0.00 N ATOM 0 H ASN A 93 -11.669 -8.230 2.197 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.677 -10.186 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.408 -10.405 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.206 -11.131 3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.307 -13.894 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.278 -13.014 4.313 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.568 -8.873 5.912 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.913 -8.160 7.002 1.00 0.00 C ATOM 1451 C ARG A 94 -9.854 -9.041 7.657 1.00 0.00 C ATOM 1452 O ARG A 94 -8.842 -8.549 8.156 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.940 -7.720 8.048 1.00 0.00 C ATOM 1454 CG ARG A 94 -13.205 -7.121 7.450 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.459 -7.697 8.091 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.119 -6.731 8.966 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.735 -6.478 10.216 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.697 -7.117 10.742 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -15.391 -5.584 10.942 1.00 0.00 N ATOM 0 H ARG A 94 -12.454 -9.310 6.168 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.429 -7.276 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.211 -8.579 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.480 -6.987 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.193 -6.039 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.225 -7.311 6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.152 -8.013 7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.197 -8.586 8.665 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.921 -6.220 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.188 -7.806 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.408 -6.919 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.190 -5.090 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.097 -5.390 11.899 1.00 0.00 H new ATOM 1473 N THR A 95 -10.097 -10.349 7.648 1.00 0.00 N ATOM 1474 CA THR A 95 -9.166 -11.303 8.236 1.00 0.00 C ATOM 1475 C THR A 95 -7.922 -11.441 7.364 1.00 0.00 C ATOM 1476 O THR A 95 -6.795 -11.409 7.858 1.00 0.00 O ATOM 1477 CB THR A 95 -9.855 -12.663 8.427 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.431 -13.274 9.632 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.608 -13.651 7.303 1.00 0.00 C ATOM 0 H THR A 95 -10.931 -10.771 7.240 1.00 0.00 H new ATOM 0 HA THR A 95 -8.854 -10.935 9.213 1.00 0.00 H new ATOM 0 HB THR A 95 -10.920 -12.432 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.882 -14.138 9.737 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.130 -14.584 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.978 -13.235 6.366 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.539 -13.845 7.217 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.142 -11.589 6.063 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.045 -11.727 5.114 1.00 0.00 C ATOM 1489 C VAL A 96 -6.146 -10.499 5.145 1.00 0.00 C ATOM 1490 O VAL A 96 -4.952 -10.596 5.430 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.558 -11.927 3.674 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.402 -12.225 2.731 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.595 -13.037 3.621 1.00 0.00 C ATOM 0 H VAL A 96 -9.070 -11.616 5.641 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.479 -12.609 5.414 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.035 -11.002 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.784 -12.363 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.699 -11.392 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.894 -13.134 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.943 -13.161 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.148 -13.969 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.438 -12.778 4.262 1.00 0.00 H new ATOM 1503 N MET A 97 -6.728 -9.342 4.840 1.00 0.00 N ATOM 1504 CA MET A 97 -5.980 -8.085 4.822 1.00 0.00 C ATOM 1505 C MET A 97 -5.060 -7.939 6.034 1.00 0.00 C ATOM 1506 O MET A 97 -3.860 -7.705 5.889 1.00 0.00 O ATOM 1507 CB MET A 97 -6.944 -6.900 4.771 1.00 0.00 C ATOM 1508 CG MET A 97 -8.078 -6.984 5.780 1.00 0.00 C ATOM 1509 SD MET A 97 -7.812 -5.931 7.219 1.00 0.00 S ATOM 1510 CE MET A 97 -7.299 -4.413 6.425 1.00 0.00 C ATOM 0 H MET A 97 -7.715 -9.247 4.602 1.00 0.00 H new ATOM 0 HA MET A 97 -5.355 -8.098 3.929 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.384 -5.981 4.944 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.367 -6.831 3.769 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.012 -6.699 5.295 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.191 -8.017 6.108 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.216 -3.622 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.332 -4.562 5.945 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.036 -4.128 5.675 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.631 -8.059 7.224 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.868 -7.920 8.461 1.00 0.00 C ATOM 1522 C ASP A 98 -3.725 -8.930 8.540 1.00 0.00 C ATOM 1523 O ASP A 98 -2.740 -8.707 9.244 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.790 -8.088 9.670 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.402 -7.183 10.823 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.367 -7.454 11.468 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.133 -6.204 11.082 1.00 0.00 O ATOM 0 H ASP A 98 -6.623 -8.253 7.362 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.433 -6.921 8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.817 -7.874 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.764 -9.126 10.002 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.864 -10.044 7.830 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.841 -11.084 7.844 1.00 0.00 C ATOM 1534 C ASN A 99 -1.761 -10.835 6.798 1.00 0.00 C ATOM 1535 O ASN A 99 -0.579 -11.061 7.056 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.478 -12.456 7.616 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.917 -13.111 8.911 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.520 -12.692 9.998 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.741 -14.147 8.801 1.00 0.00 N ATOM 0 H ASN A 99 -4.670 -10.250 7.240 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.366 -11.060 8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.339 -12.349 6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.765 -13.105 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.070 -14.628 9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.045 -14.461 7.879 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.160 -10.385 5.614 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.198 -10.134 4.551 1.00 0.00 C ATOM 1548 C ILE A 100 -0.406 -8.851 4.792 1.00 0.00 C ATOM 1549 O ILE A 100 0.776 -8.783 4.461 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.864 -10.078 3.160 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.789 -10.042 2.070 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.793 -8.878 3.044 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.328 -9.733 0.689 1.00 0.00 C ATOM 0 H ILE A 100 -3.130 -10.189 5.369 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.509 -10.979 4.567 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.469 -10.975 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.042 -9.293 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.279 -11.005 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.248 -8.864 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.574 -8.948 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.223 -7.961 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.507 -9.725 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.053 -10.495 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.812 -8.756 0.697 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.044 -7.838 5.376 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.357 -6.583 5.649 1.00 0.00 C ATOM 1567 C LYS A 101 0.681 -6.775 6.742 1.00 0.00 C ATOM 1568 O LYS A 101 1.759 -6.183 6.700 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.347 -5.495 6.056 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.726 -4.109 6.083 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.220 -3.751 7.471 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.365 -3.453 8.427 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.985 -3.703 9.845 1.00 0.00 N ATOM 0 H LYS A 101 -2.022 -7.863 5.665 1.00 0.00 H new ATOM 0 HA LYS A 101 0.144 -6.268 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.187 -5.497 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.748 -5.727 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.099 -4.065 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.463 -3.373 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.378 -4.574 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.436 -2.883 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.673 -2.414 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.225 -4.071 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.555 -4.486 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.023 -3.953 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.158 -2.845 10.407 1.00 0.00 H new ATOM 1587 N MET A 102 0.353 -7.616 7.718 1.00 0.00 N ATOM 1588 CA MET A 102 1.265 -7.897 8.822 1.00 0.00 C ATOM 1589 C MET A 102 2.652 -8.226 8.282 1.00 0.00 C ATOM 1590 O MET A 102 3.668 -7.843 8.862 1.00 0.00 O ATOM 1591 CB MET A 102 0.741 -9.060 9.666 1.00 0.00 C ATOM 1592 CG MET A 102 1.171 -8.997 11.123 1.00 0.00 C ATOM 1593 SD MET A 102 -0.099 -9.605 12.249 1.00 0.00 S ATOM 1594 CE MET A 102 -0.471 -11.195 11.514 1.00 0.00 C ATOM 0 H MET A 102 -0.536 -8.114 7.767 1.00 0.00 H new ATOM 0 HA MET A 102 1.330 -7.011 9.454 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.348 -9.072 9.617 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.089 -9.998 9.233 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.080 -9.584 11.255 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.417 -7.967 11.381 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.718 -11.910 12.299 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.318 -11.093 10.836 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.397 -11.551 10.959 1.00 0.00 H new ATOM 1604 N THR A 103 2.677 -8.929 7.154 1.00 0.00 N ATOM 1605 CA THR A 103 3.931 -9.303 6.511 1.00 0.00 C ATOM 1606 C THR A 103 4.560 -8.097 5.818 1.00 0.00 C ATOM 1607 O THR A 103 5.739 -7.801 6.013 1.00 0.00 O ATOM 1608 CB THR A 103 3.692 -10.425 5.498 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.133 -11.561 6.132 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.952 -10.870 4.788 1.00 0.00 C ATOM 0 H THR A 103 1.841 -9.251 6.666 1.00 0.00 H new ATOM 0 HA THR A 103 4.618 -9.659 7.278 1.00 0.00 H new ATOM 0 HB THR A 103 3.008 -10.007 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.986 -12.267 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.711 -11.667 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.382 -10.027 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.672 -11.237 5.520 1.00 0.00 H new ATOM 1618 N LEU A 104 3.763 -7.401 5.010 1.00 0.00 N ATOM 1619 CA LEU A 104 4.239 -6.224 4.290 1.00 0.00 C ATOM 1620 C LEU A 104 4.753 -5.163 5.258 1.00 0.00 C ATOM 1621 O LEU A 104 5.892 -4.710 5.151 1.00 0.00 O ATOM 1622 CB LEU A 104 3.118 -5.634 3.431 1.00 0.00 C ATOM 1623 CG LEU A 104 2.845 -6.368 2.118 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.883 -7.521 2.343 1.00 0.00 C ATOM 1625 CD2 LEU A 104 2.292 -5.405 1.078 1.00 0.00 C ATOM 0 H LEU A 104 2.785 -7.633 4.838 1.00 0.00 H new ATOM 0 HA LEU A 104 5.060 -6.537 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.200 -5.622 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.364 -4.597 3.204 1.00 0.00 H new ATOM 0 HG LEU A 104 3.786 -6.774 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.700 -8.032 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.316 -8.222 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.941 -7.138 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.103 -5.942 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.361 -4.971 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.016 -4.610 0.897 1.00 0.00 H new ATOM 1637 N GLN A 105 3.900 -4.766 6.200 1.00 0.00 N ATOM 1638 CA GLN A 105 4.260 -3.753 7.189 1.00 0.00 C ATOM 1639 C GLN A 105 5.630 -4.036 7.795 1.00 0.00 C ATOM 1640 O GLN A 105 6.475 -3.146 7.889 1.00 0.00 O ATOM 1641 CB GLN A 105 3.206 -3.693 8.296 1.00 0.00 C ATOM 1642 CG GLN A 105 3.459 -2.597 9.319 1.00 0.00 C ATOM 1643 CD GLN A 105 2.229 -2.273 10.142 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.185 -2.535 11.344 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.220 -1.698 9.498 1.00 0.00 N ATOM 0 H GLN A 105 2.953 -5.131 6.299 1.00 0.00 H new ATOM 0 HA GLN A 105 4.302 -2.790 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.226 -3.538 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.173 -4.655 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.266 -2.905 9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.796 -1.696 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.299 -1.498 8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.366 -1.456 10.001 1.00 0.00 H new ATOM 1654 N GLN A 106 5.846 -5.283 8.200 1.00 0.00 N ATOM 1655 CA GLN A 106 7.116 -5.682 8.791 1.00 0.00 C ATOM 1656 C GLN A 106 8.262 -5.439 7.816 1.00 0.00 C ATOM 1657 O GLN A 106 9.328 -4.960 8.203 1.00 0.00 O ATOM 1658 CB GLN A 106 7.075 -7.158 9.193 1.00 0.00 C ATOM 1659 CG GLN A 106 6.287 -7.420 10.466 1.00 0.00 C ATOM 1660 CD GLN A 106 6.184 -8.896 10.795 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.289 -9.591 10.313 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.103 -9.384 11.620 1.00 0.00 N ATOM 0 H GLN A 106 5.158 -6.033 8.130 1.00 0.00 H new ATOM 0 HA GLN A 106 7.283 -5.077 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.637 -7.736 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.095 -7.518 9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.762 -6.899 11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.285 -7.004 10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.827 -8.772 11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.085 -10.371 11.877 1.00 0.00 H new ATOM 1671 N ILE A 107 8.037 -5.777 6.550 1.00 0.00 N ATOM 1672 CA ILE A 107 9.043 -5.602 5.521 1.00 0.00 C ATOM 1673 C ILE A 107 9.478 -4.145 5.407 1.00 0.00 C ATOM 1674 O ILE A 107 10.660 -3.839 5.533 1.00 0.00 O ATOM 1675 CB ILE A 107 8.527 -6.125 4.160 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.196 -7.455 3.846 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.766 -5.126 3.034 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.559 -8.200 2.693 1.00 0.00 C ATOM 0 H ILE A 107 7.160 -6.176 6.216 1.00 0.00 H new ATOM 0 HA ILE A 107 9.917 -6.187 5.809 1.00 0.00 H new ATOM 0 HB ILE A 107 7.448 -6.264 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.247 -7.278 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.166 -8.085 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.388 -5.536 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.247 -4.194 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.835 -4.933 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.090 -9.138 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.515 -8.410 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.613 -7.590 1.791 1.00 0.00 H new ATOM 1690 N ILE A 108 8.526 -3.248 5.167 1.00 0.00 N ATOM 1691 CA ILE A 108 8.848 -1.830 5.037 1.00 0.00 C ATOM 1692 C ILE A 108 9.743 -1.375 6.176 1.00 0.00 C ATOM 1693 O ILE A 108 10.785 -0.758 5.962 1.00 0.00 O ATOM 1694 CB ILE A 108 7.590 -0.939 5.009 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.502 -1.545 4.118 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.959 0.453 4.523 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.978 -1.894 2.724 1.00 0.00 C ATOM 0 H ILE A 108 7.537 -3.473 5.060 1.00 0.00 H new ATOM 0 HA ILE A 108 9.367 -1.721 4.084 1.00 0.00 H new ATOM 0 HB ILE A 108 7.191 -0.873 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.114 -2.445 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.673 -0.841 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.068 1.080 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.696 0.890 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.378 0.389 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.152 -2.318 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.339 -0.994 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.787 -2.622 2.787 1.00 0.00 H new ATOM 1709 N SER A 109 9.327 -1.701 7.385 1.00 0.00 N ATOM 1710 CA SER A 109 10.082 -1.346 8.578 1.00 0.00 C ATOM 1711 C SER A 109 11.477 -1.960 8.531 1.00 0.00 C ATOM 1712 O SER A 109 12.433 -1.397 9.064 1.00 0.00 O ATOM 1713 CB SER A 109 9.343 -1.820 9.829 1.00 0.00 C ATOM 1714 OG SER A 109 10.127 -1.619 10.993 1.00 0.00 O ATOM 0 H SER A 109 8.465 -2.214 7.570 1.00 0.00 H new ATOM 0 HA SER A 109 10.181 -0.261 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.400 -1.281 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.097 -2.877 9.731 1.00 0.00 H new ATOM 0 HG SER A 109 9.876 -0.770 11.414 1.00 0.00 H new ATOM 1720 N ARG A 110 11.586 -3.116 7.884 1.00 0.00 N ATOM 1721 CA ARG A 110 12.866 -3.801 7.762 1.00 0.00 C ATOM 1722 C ARG A 110 13.686 -3.195 6.625 1.00 0.00 C ATOM 1723 O ARG A 110 14.865 -2.885 6.794 1.00 0.00 O ATOM 1724 CB ARG A 110 12.646 -5.308 7.543 1.00 0.00 C ATOM 1725 CG ARG A 110 12.961 -5.799 6.136 1.00 0.00 C ATOM 1726 CD ARG A 110 12.710 -7.292 5.997 1.00 0.00 C ATOM 1727 NE ARG A 110 13.932 -8.071 6.183 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.991 -9.396 6.070 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.901 -10.092 5.772 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.142 -10.026 6.254 1.00 0.00 N ATOM 0 H ARG A 110 10.805 -3.596 7.437 1.00 0.00 H new ATOM 0 HA ARG A 110 13.425 -3.671 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.264 -5.858 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.608 -5.547 7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.349 -5.257 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.002 -5.580 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.966 -7.604 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.294 -7.500 5.011 1.00 0.00 H new ATOM 0 HE ARG A 110 14.790 -7.570 6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.013 -9.612 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.952 -11.107 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.983 -9.496 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.187 -11.041 6.167 1.00 0.00 H new ATOM 1744 N TYR A 111 13.050 -3.024 5.469 1.00 0.00 N ATOM 1745 CA TYR A 111 13.722 -2.451 4.310 1.00 0.00 C ATOM 1746 C TYR A 111 14.193 -1.029 4.598 1.00 0.00 C ATOM 1747 O TYR A 111 15.309 -0.653 4.243 1.00 0.00 O ATOM 1748 CB TYR A 111 12.790 -2.463 3.095 1.00 0.00 C ATOM 1749 CG TYR A 111 12.899 -3.713 2.244 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.479 -4.875 2.743 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.421 -3.729 0.939 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.578 -6.014 1.966 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.516 -4.865 0.157 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.095 -6.004 0.675 1.00 0.00 C ATOM 1755 OH TYR A 111 13.193 -7.136 -0.102 1.00 0.00 O ATOM 0 H TYR A 111 12.074 -3.274 5.312 1.00 0.00 H new ATOM 0 HA TYR A 111 14.598 -3.062 4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.761 -2.359 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.008 -1.594 2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.858 -4.887 3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.968 -2.839 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.032 -6.908 2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.138 -4.860 -0.855 1.00 0.00 H new ATOM 0 HH TYR A 111 13.943 -7.041 -0.726 1.00 0.00 H new ATOM 1765 N LYS A 112 13.339 -0.243 5.249 1.00 0.00 N ATOM 1766 CA LYS A 112 13.677 1.137 5.588 1.00 0.00 C ATOM 1767 C LYS A 112 14.971 1.196 6.392 1.00 0.00 C ATOM 1768 O LYS A 112 15.716 2.174 6.324 1.00 0.00 O ATOM 1769 CB LYS A 112 12.543 1.781 6.390 1.00 0.00 C ATOM 1770 CG LYS A 112 11.331 2.165 5.554 1.00 0.00 C ATOM 1771 CD LYS A 112 11.731 2.920 4.297 1.00 0.00 C ATOM 1772 CE LYS A 112 11.923 1.976 3.121 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.639 1.690 2.423 1.00 0.00 N ATOM 0 H LYS A 112 12.410 -0.537 5.552 1.00 0.00 H new ATOM 0 HA LYS A 112 13.817 1.688 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.228 1.090 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.925 2.672 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.779 1.266 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.658 2.782 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.965 3.656 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.655 3.470 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.630 2.414 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.361 1.042 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.591 0.679 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.843 1.938 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.585 2.253 1.550 1.00 0.00 H new ATOM 1787 N ASP A 113 15.227 0.141 7.156 1.00 0.00 N ATOM 1788 CA ASP A 113 16.425 0.061 7.982 1.00 0.00 C ATOM 1789 C ASP A 113 17.686 -0.113 7.137 1.00 0.00 C ATOM 1790 O ASP A 113 18.799 -0.065 7.660 1.00 0.00 O ATOM 1791 CB ASP A 113 16.304 -1.095 8.977 1.00 0.00 C ATOM 1792 CG ASP A 113 17.366 -1.042 10.057 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.838 0.071 10.372 1.00 0.00 O ATOM 1794 OD2 ASP A 113 17.726 -2.113 10.588 1.00 0.00 O ATOM 0 H ASP A 113 14.618 -0.674 7.220 1.00 0.00 H new ATOM 0 HA ASP A 113 16.513 1.002 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.318 -1.070 9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.381 -2.041 8.441 1.00 0.00 H new ATOM 1799 N ALA A 114 17.513 -0.318 5.835 1.00 0.00 N ATOM 1800 CA ALA A 114 18.647 -0.502 4.940 1.00 0.00 C ATOM 1801 C ALA A 114 18.533 0.393 3.710 1.00 0.00 C ATOM 1802 O ALA A 114 19.483 1.086 3.345 1.00 0.00 O ATOM 1803 CB ALA A 114 18.749 -1.960 4.532 1.00 0.00 C ATOM 0 H ALA A 114 16.602 -0.361 5.379 1.00 0.00 H new ATOM 0 HA ALA A 114 19.555 -0.216 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 114 19.599 -2.092 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.887 -2.577 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.834 -2.259 4.020 1.00 0.00 H new ATOM 1809 N ASP A 115 17.366 0.374 3.076 1.00 0.00 N ATOM 1810 CA ASP A 115 17.127 1.184 1.887 1.00 0.00 C ATOM 1811 C ASP A 115 17.357 2.664 2.179 1.00 0.00 C ATOM 1812 O ASP A 115 16.566 3.243 2.953 1.00 0.00 O ATOM 1813 CB ASP A 115 15.701 0.969 1.377 1.00 0.00 C ATOM 1814 CG ASP A 115 15.428 1.721 0.089 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.220 1.572 -0.866 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.421 2.459 0.034 1.00 0.00 O ATOM 1817 OXT ASP A 115 18.326 3.231 1.632 1.00 0.00 O ATOM 0 H ASP A 115 16.570 -0.194 3.366 1.00 0.00 H new ATOM 0 HA ASP A 115 17.833 0.871 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 115 15.533 -0.096 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.993 1.292 2.140 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N PRO B 59 -29.618 -2.492 2.610 1.00 0.00 N ATOM 1824 CA PRO B 59 -28.662 -3.118 3.562 1.00 0.00 C ATOM 1825 C PRO B 59 -27.217 -2.734 3.246 1.00 0.00 C ATOM 1826 O PRO B 59 -26.532 -2.127 4.069 1.00 0.00 O ATOM 1827 CB PRO B 59 -28.843 -4.630 3.468 1.00 0.00 C ATOM 1828 CG PRO B 59 -30.018 -4.807 2.565 1.00 0.00 C ATOM 1829 CD PRO B 59 -30.096 -3.561 1.717 1.00 0.00 C ATOM 0 HA PRO B 59 -28.867 -2.763 4.572 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -27.954 -5.112 3.062 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -29.025 -5.070 4.448 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -29.899 -5.694 1.942 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -30.933 -4.943 3.141 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -29.474 -3.645 0.826 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -31.114 -3.372 1.378 1.00 0.00 H new ATOM 1837 N GLY B 60 -26.763 -3.094 2.050 1.00 0.00 N ATOM 1838 CA GLY B 60 -25.404 -2.779 1.648 1.00 0.00 C ATOM 1839 C GLY B 60 -25.133 -3.130 0.198 1.00 0.00 C ATOM 1840 O GLY B 60 -25.308 -4.277 -0.213 1.00 0.00 O ATOM 0 H GLY B 60 -27.311 -3.598 1.352 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -25.220 -1.716 1.802 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -24.705 -3.319 2.286 1.00 0.00 H new ATOM 1844 N GLU B 61 -24.704 -2.140 -0.578 1.00 0.00 N ATOM 1845 CA GLU B 61 -24.407 -2.349 -1.990 1.00 0.00 C ATOM 1846 C GLU B 61 -22.908 -2.252 -2.251 1.00 0.00 C ATOM 1847 O GLU B 61 -22.350 -3.031 -3.024 1.00 0.00 O ATOM 1848 CB GLU B 61 -25.153 -1.323 -2.846 1.00 0.00 C ATOM 1849 CG GLU B 61 -25.654 -1.883 -4.167 1.00 0.00 C ATOM 1850 CD GLU B 61 -25.775 -0.821 -5.242 1.00 0.00 C ATOM 1851 OE1 GLU B 61 -24.766 -0.137 -5.517 1.00 0.00 O ATOM 1852 OE2 GLU B 61 -26.878 -0.672 -5.809 1.00 0.00 O ATOM 0 H GLU B 61 -24.554 -1.185 -0.253 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.740 -3.351 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -26.001 -0.937 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -24.492 -0.479 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -24.974 -2.664 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.626 -2.352 -4.013 1.00 0.00 H new ATOM 1859 N GLU B 62 -22.260 -1.291 -1.601 1.00 0.00 N ATOM 1860 CA GLU B 62 -20.825 -1.092 -1.762 1.00 0.00 C ATOM 1861 C GLU B 62 -20.324 0.019 -0.845 1.00 0.00 C ATOM 1862 O GLU B 62 -20.853 1.130 -0.853 1.00 0.00 O ATOM 1863 CB GLU B 62 -20.496 -0.754 -3.218 1.00 0.00 C ATOM 1864 CG GLU B 62 -19.012 -0.546 -3.474 1.00 0.00 C ATOM 1865 CD GLU B 62 -18.658 -0.630 -4.946 1.00 0.00 C ATOM 1866 OE1 GLU B 62 -19.105 0.246 -5.716 1.00 0.00 O ATOM 1867 OE2 GLU B 62 -17.932 -1.572 -5.329 1.00 0.00 O ATOM 0 H GLU B 62 -22.707 -0.638 -0.957 1.00 0.00 H new ATOM 0 HA GLU B 62 -20.322 -2.019 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -20.858 -1.558 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -21.036 0.149 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -18.713 0.428 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -18.443 -1.296 -2.924 1.00 0.00 H new ATOM 1874 N GLU B 63 -19.301 -0.289 -0.054 1.00 0.00 N ATOM 1875 CA GLU B 63 -18.730 0.684 0.870 1.00 0.00 C ATOM 1876 C GLU B 63 -17.337 1.110 0.420 1.00 0.00 C ATOM 1877 O GLU B 63 -16.413 1.203 1.227 1.00 0.00 O ATOM 1878 CB GLU B 63 -18.667 0.102 2.283 1.00 0.00 C ATOM 1879 CG GLU B 63 -20.030 -0.070 2.931 1.00 0.00 C ATOM 1880 CD GLU B 63 -20.660 -1.413 2.615 1.00 0.00 C ATOM 1881 OE1 GLU B 63 -20.253 -2.039 1.614 1.00 0.00 O ATOM 1882 OE2 GLU B 63 -21.561 -1.838 3.369 1.00 0.00 O ATOM 0 H GLU B 63 -18.851 -1.204 -0.034 1.00 0.00 H new ATOM 0 HA GLU B 63 -19.374 1.563 0.876 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -18.167 -0.866 2.246 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -18.056 0.753 2.908 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -19.931 0.035 4.011 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -20.692 0.727 2.593 1.00 0.00 H new ATOM 1889 N ASP B 64 -17.193 1.371 -0.875 1.00 0.00 N ATOM 1890 CA ASP B 64 -15.913 1.792 -1.431 1.00 0.00 C ATOM 1891 C ASP B 64 -15.837 3.312 -1.523 1.00 0.00 C ATOM 1892 O ASP B 64 -15.313 3.861 -2.492 1.00 0.00 O ATOM 1893 CB ASP B 64 -15.706 1.173 -2.815 1.00 0.00 C ATOM 1894 CG ASP B 64 -15.794 -0.341 -2.790 1.00 0.00 C ATOM 1895 OD1 ASP B 64 -15.641 -0.927 -1.698 1.00 0.00 O ATOM 1896 OD2 ASP B 64 -16.017 -0.940 -3.863 1.00 0.00 O ATOM 0 H ASP B 64 -17.947 1.298 -1.558 1.00 0.00 H new ATOM 0 HA ASP B 64 -15.122 1.446 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -16.455 1.567 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -14.731 1.471 -3.201 1.00 0.00 H new ATOM 1901 N ASP B 65 -16.368 3.988 -0.508 1.00 0.00 N ATOM 1902 CA ASP B 65 -16.370 5.428 -0.464 1.00 0.00 C ATOM 1903 C ASP B 65 -16.095 5.901 0.951 1.00 0.00 C ATOM 1904 O ASP B 65 -15.055 5.599 1.537 1.00 0.00 O ATOM 1905 CB ASP B 65 -17.709 5.958 -0.994 1.00 0.00 C ATOM 1906 CG ASP B 65 -17.976 5.525 -2.422 1.00 0.00 C ATOM 1907 OD1 ASP B 65 -18.543 4.428 -2.613 1.00 0.00 O ATOM 1908 OD2 ASP B 65 -17.618 6.281 -3.349 1.00 0.00 O ATOM 0 H ASP B 65 -16.805 3.545 0.300 1.00 0.00 H new ATOM 0 HA ASP B 65 -15.579 5.821 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -18.516 5.604 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -17.713 7.047 -0.940 1.00 0.00 H new ATOM 1913 N GLU B 66 -17.033 6.630 1.481 1.00 0.00 N ATOM 1914 CA GLU B 66 -16.939 7.164 2.834 1.00 0.00 C ATOM 1915 C GLU B 66 -17.571 6.205 3.840 1.00 0.00 C ATOM 1916 O GLU B 66 -18.209 6.633 4.802 1.00 0.00 O ATOM 1917 CB GLU B 66 -17.624 8.529 2.914 1.00 0.00 C ATOM 1918 CG GLU B 66 -19.090 8.498 2.514 1.00 0.00 C ATOM 1919 CD GLU B 66 -19.931 9.481 3.304 1.00 0.00 C ATOM 1920 OE1 GLU B 66 -19.565 9.781 4.460 1.00 0.00 O ATOM 1921 OE2 GLU B 66 -20.956 9.952 2.767 1.00 0.00 O ATOM 0 H GLU B 66 -17.894 6.880 0.995 1.00 0.00 H new ATOM 0 HA GLU B 66 -15.884 7.280 3.081 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -17.542 8.908 3.933 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -17.095 9.230 2.269 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -19.178 8.723 1.451 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -19.481 7.491 2.660 1.00 0.00 H new ATOM 1928 N ARG B 67 -17.386 4.905 3.617 1.00 0.00 N ATOM 1929 CA ARG B 67 -17.934 3.895 4.507 1.00 0.00 C ATOM 1930 C ARG B 67 -16.936 2.768 4.729 1.00 0.00 C ATOM 1931 O ARG B 67 -16.750 2.298 5.851 1.00 0.00 O ATOM 1932 CB ARG B 67 -19.246 3.340 3.950 1.00 0.00 C ATOM 1933 CG ARG B 67 -20.398 4.330 4.006 1.00 0.00 C ATOM 1934 CD ARG B 67 -20.663 4.796 5.428 1.00 0.00 C ATOM 1935 NE ARG B 67 -22.067 5.140 5.639 1.00 0.00 N ATOM 1936 CZ ARG B 67 -22.511 5.836 6.683 1.00 0.00 C ATOM 1937 NH1 ARG B 67 -21.665 6.264 7.612 1.00 0.00 N ATOM 1938 NH2 ARG B 67 -23.804 6.106 6.799 1.00 0.00 N ATOM 0 H ARG B 67 -16.860 4.531 2.827 1.00 0.00 H new ATOM 0 HA ARG B 67 -18.137 4.368 5.468 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -19.091 3.034 2.915 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -19.519 2.445 4.510 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -20.171 5.190 3.376 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -21.297 3.867 3.600 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -20.373 4.011 6.127 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -20.040 5.663 5.647 1.00 0.00 H new ATOM 0 HE ARG B 67 -22.747 4.828 4.945 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -20.669 6.060 7.528 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -22.011 6.797 8.410 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -24.459 5.780 6.088 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -24.144 6.639 7.599 1.00 0.00 H new ATOM 1952 N GLY B 68 -16.291 2.355 3.652 1.00 0.00 N ATOM 1953 CA GLY B 68 -15.302 1.305 3.724 1.00 0.00 C ATOM 1954 C GLY B 68 -13.990 1.731 3.099 1.00 0.00 C ATOM 1955 O GLY B 68 -13.250 0.910 2.559 1.00 0.00 O ATOM 0 H GLY B 68 -16.438 2.735 2.717 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -15.137 1.031 4.766 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -15.676 0.416 3.216 1.00 0.00 H new ATOM 1959 N ALA B 69 -13.708 3.028 3.180 1.00 0.00 N ATOM 1960 CA ALA B 69 -12.483 3.588 2.629 1.00 0.00 C ATOM 1961 C ALA B 69 -12.175 4.936 3.275 1.00 0.00 C ATOM 1962 O ALA B 69 -11.865 5.909 2.588 1.00 0.00 O ATOM 1963 CB ALA B 69 -12.603 3.736 1.119 1.00 0.00 C ATOM 0 H ALA B 69 -14.318 3.713 3.626 1.00 0.00 H new ATOM 0 HA ALA B 69 -11.661 2.906 2.847 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.680 4.156 0.720 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -12.780 2.759 0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -13.435 4.400 0.883 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.277 4.989 4.602 1.00 0.00 N ATOM 1970 CA ASP B 70 -12.023 6.223 5.338 1.00 0.00 C ATOM 1971 C ASP B 70 -11.583 5.937 6.774 1.00 0.00 C ATOM 1972 O ASP B 70 -12.169 6.449 7.728 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.281 7.092 5.339 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.962 8.574 5.314 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.052 8.972 4.557 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -13.622 9.336 6.051 1.00 0.00 O ATOM 0 H ASP B 70 -12.533 4.193 5.187 1.00 0.00 H new ATOM 0 HA ASP B 70 -11.212 6.754 4.840 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.893 6.841 4.473 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.874 6.866 6.225 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.546 5.119 6.918 1.00 0.00 N ATOM 1982 CA ALA B 71 -10.020 4.764 8.235 1.00 0.00 C ATOM 1983 C ALA B 71 -8.737 3.954 8.100 1.00 0.00 C ATOM 1984 O ALA B 71 -8.600 2.888 8.702 1.00 0.00 O ATOM 1985 CB ALA B 71 -11.061 3.978 9.024 1.00 0.00 C ATOM 0 H ALA B 71 -10.051 4.687 6.138 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.791 5.683 8.774 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.657 3.720 10.003 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.957 4.586 9.150 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.314 3.066 8.484 1.00 0.00 H new ATOM 1991 N THR B 72 -7.804 4.452 7.294 1.00 0.00 N ATOM 1992 CA THR B 72 -6.547 3.746 7.078 1.00 0.00 C ATOM 1993 C THR B 72 -5.336 4.675 7.039 1.00 0.00 C ATOM 1994 O THR B 72 -4.199 4.211 7.113 1.00 0.00 O ATOM 1995 CB THR B 72 -6.620 2.949 5.785 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.451 3.602 4.845 1.00 0.00 O ATOM 1997 CG2 THR B 72 -7.159 1.558 5.992 1.00 0.00 C ATOM 0 H THR B 72 -7.893 5.332 6.785 1.00 0.00 H new ATOM 0 HA THR B 72 -6.410 3.080 7.930 1.00 0.00 H new ATOM 0 HB THR B 72 -5.597 2.878 5.416 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.932 4.281 4.365 1.00 0.00 H new ATOM 0 HG21 THR B 72 -7.190 1.034 5.037 1.00 0.00 H new ATOM 0 HG22 THR B 72 -6.513 1.016 6.683 1.00 0.00 H new ATOM 0 HG23 THR B 72 -8.165 1.616 6.407 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.562 5.977 6.913 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.453 6.925 6.857 1.00 0.00 C ATOM 2007 C TRP B 73 -4.101 7.444 8.249 1.00 0.00 C ATOM 2008 O TRP B 73 -3.686 8.593 8.404 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.783 8.099 5.929 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.649 7.731 4.759 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.554 8.534 4.136 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.696 6.473 4.076 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.163 7.857 3.109 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.653 6.588 3.053 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.024 5.263 4.229 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.950 5.536 2.193 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.319 4.218 3.380 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.273 4.359 2.373 1.00 0.00 C ATOM 0 H TRP B 73 -6.489 6.398 6.848 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.589 6.395 6.457 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.283 8.876 6.507 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.852 8.527 5.558 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.763 9.557 4.410 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -7.878 8.237 2.489 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.281 5.145 5.004 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.688 5.643 1.412 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.804 3.276 3.496 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.482 3.523 1.722 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.267 6.594 9.259 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.964 6.976 10.635 1.00 0.00 C ATOM 2031 C ASP B 74 -3.369 5.814 11.437 1.00 0.00 C ATOM 2032 O ASP B 74 -3.066 5.965 12.620 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.228 7.494 11.325 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.918 8.370 12.524 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -3.770 8.321 13.014 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.823 9.104 12.972 1.00 0.00 O ATOM 0 H ASP B 74 -4.609 5.639 9.151 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.215 7.767 10.598 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.823 8.061 10.609 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.836 6.648 11.645 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.182 4.665 10.790 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.597 3.503 11.455 1.00 0.00 C ATOM 2043 C LEU B 75 -1.271 3.135 10.809 1.00 0.00 C ATOM 2044 O LEU B 75 -0.509 2.329 11.343 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.547 2.296 11.446 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.343 2.067 10.159 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.329 3.198 9.934 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.413 1.924 8.965 1.00 0.00 C ATOM 0 H LEU B 75 -3.426 4.514 9.811 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.425 3.776 12.496 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.962 1.399 11.650 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.253 2.410 12.269 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.902 1.138 10.267 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.886 3.018 9.014 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.022 3.249 10.774 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.788 4.141 9.852 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -4.002 1.762 8.062 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.821 2.833 8.854 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.748 1.075 9.121 1.00 0.00 H new ATOM 2060 N ASP B 76 -0.997 3.738 9.657 1.00 0.00 N ATOM 2061 CA ASP B 76 0.222 3.492 8.940 1.00 0.00 C ATOM 2062 C ASP B 76 1.341 4.369 9.504 1.00 0.00 C ATOM 2063 O ASP B 76 1.319 4.720 10.684 1.00 0.00 O ATOM 2064 CB ASP B 76 -0.010 3.786 7.460 1.00 0.00 C ATOM 2065 CG ASP B 76 -0.263 5.257 7.191 1.00 0.00 C ATOM 2066 OD1 ASP B 76 -0.829 5.933 8.075 1.00 0.00 O ATOM 2067 OD2 ASP B 76 0.107 5.732 6.097 1.00 0.00 O ATOM 0 H ASP B 76 -1.620 4.407 9.205 1.00 0.00 H new ATOM 0 HA ASP B 76 0.522 2.450 9.053 1.00 0.00 H new ATOM 0 HB2 ASP B 76 0.859 3.460 6.888 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -0.861 3.204 7.107 1.00 0.00 H new ATOM 2072 N LEU B 77 2.303 4.740 8.665 1.00 0.00 N ATOM 2073 CA LEU B 77 3.399 5.595 9.100 1.00 0.00 C ATOM 2074 C LEU B 77 4.038 5.077 10.388 1.00 0.00 C ATOM 2075 O LEU B 77 3.822 5.627 11.468 1.00 0.00 O ATOM 2076 CB LEU B 77 2.886 7.022 9.292 1.00 0.00 C ATOM 2077 CG LEU B 77 3.033 7.911 8.058 1.00 0.00 C ATOM 2078 CD1 LEU B 77 1.736 7.944 7.265 1.00 0.00 C ATOM 2079 CD2 LEU B 77 3.459 9.314 8.458 1.00 0.00 C ATOM 0 H LEU B 77 2.345 4.463 7.684 1.00 0.00 H new ATOM 0 HA LEU B 77 4.170 5.586 8.329 1.00 0.00 H new ATOM 0 HB2 LEU B 77 1.834 6.983 9.575 1.00 0.00 H new ATOM 0 HB3 LEU B 77 3.423 7.481 10.123 1.00 0.00 H new ATOM 0 HG LEU B 77 3.810 7.489 7.420 1.00 0.00 H new ATOM 0 HD11 LEU B 77 1.861 8.582 6.390 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.480 6.934 6.944 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.936 8.339 7.892 1.00 0.00 H new ATOM 0 HD21 LEU B 77 3.558 9.932 7.566 1.00 0.00 H new ATOM 0 HD22 LEU B 77 2.708 9.748 9.118 1.00 0.00 H new ATOM 0 HD23 LEU B 77 4.416 9.269 8.977 1.00 0.00 H new ATOM 2091 N LEU B 78 4.826 4.014 10.259 1.00 0.00 N ATOM 2092 CA LEU B 78 5.503 3.412 11.401 1.00 0.00 C ATOM 2093 C LEU B 78 6.427 2.286 10.943 1.00 0.00 C ATOM 2094 O LEU B 78 6.161 1.110 11.191 1.00 0.00 O ATOM 2095 CB LEU B 78 4.481 2.879 12.407 1.00 0.00 C ATOM 2096 CG LEU B 78 3.195 2.316 11.796 1.00 0.00 C ATOM 2097 CD1 LEU B 78 3.444 0.938 11.202 1.00 0.00 C ATOM 2098 CD2 LEU B 78 2.093 2.255 12.842 1.00 0.00 C ATOM 0 H LEU B 78 5.012 3.550 9.370 1.00 0.00 H new ATOM 0 HA LEU B 78 6.105 4.180 11.887 1.00 0.00 H new ATOM 0 HB2 LEU B 78 4.954 2.097 13.001 1.00 0.00 H new ATOM 0 HB3 LEU B 78 4.216 3.684 13.092 1.00 0.00 H new ATOM 0 HG LEU B 78 2.874 2.981 10.995 1.00 0.00 H new ATOM 0 HD11 LEU B 78 2.519 0.554 10.773 1.00 0.00 H new ATOM 0 HD12 LEU B 78 4.203 1.009 10.423 1.00 0.00 H new ATOM 0 HD13 LEU B 78 3.789 0.262 11.984 1.00 0.00 H new ATOM 0 HD21 LEU B 78 1.186 1.853 12.392 1.00 0.00 H new ATOM 0 HD22 LEU B 78 2.407 1.611 13.664 1.00 0.00 H new ATOM 0 HD23 LEU B 78 1.896 3.258 13.222 1.00 0.00 H new ATOM 2110 N LEU B 79 7.509 2.655 10.266 1.00 0.00 N ATOM 2111 CA LEU B 79 8.467 1.676 9.762 1.00 0.00 C ATOM 2112 C LEU B 79 9.782 1.743 10.536 1.00 0.00 C ATOM 2113 O LEU B 79 10.101 0.843 11.313 1.00 0.00 O ATOM 2114 CB LEU B 79 8.729 1.899 8.267 1.00 0.00 C ATOM 2115 CG LEU B 79 7.654 2.699 7.525 1.00 0.00 C ATOM 2116 CD1 LEU B 79 8.209 3.261 6.226 1.00 0.00 C ATOM 2117 CD2 LEU B 79 6.435 1.829 7.257 1.00 0.00 C ATOM 0 H LEU B 79 7.745 3.624 10.053 1.00 0.00 H new ATOM 0 HA LEU B 79 8.035 0.685 9.903 1.00 0.00 H new ATOM 0 HB2 LEU B 79 9.683 2.414 8.155 1.00 0.00 H new ATOM 0 HB3 LEU B 79 8.833 0.927 7.784 1.00 0.00 H new ATOM 0 HG LEU B 79 7.348 3.534 8.155 1.00 0.00 H new ATOM 0 HD11 LEU B 79 7.431 3.826 5.712 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.051 3.918 6.444 1.00 0.00 H new ATOM 0 HD13 LEU B 79 8.543 2.442 5.589 1.00 0.00 H new ATOM 0 HD21 LEU B 79 5.681 2.412 6.729 1.00 0.00 H new ATOM 0 HD22 LEU B 79 6.725 0.974 6.646 1.00 0.00 H new ATOM 0 HD23 LEU B 79 6.025 1.476 8.203 1.00 0.00 H new ATOM 2129 N THR B 80 10.541 2.811 10.317 1.00 0.00 N ATOM 2130 CA THR B 80 11.816 2.992 10.989 1.00 0.00 C ATOM 2131 C THR B 80 11.963 4.419 11.507 1.00 0.00 C ATOM 2132 O THR B 80 11.177 5.301 11.159 1.00 0.00 O ATOM 2133 CB THR B 80 12.972 2.658 10.044 1.00 0.00 C ATOM 2134 OG1 THR B 80 12.980 3.535 8.932 1.00 0.00 O ATOM 2135 CG2 THR B 80 12.923 1.241 9.511 1.00 0.00 C ATOM 0 H THR B 80 10.292 3.565 9.677 1.00 0.00 H new ATOM 0 HA THR B 80 11.846 2.311 11.840 1.00 0.00 H new ATOM 0 HB THR B 80 13.875 2.771 10.644 1.00 0.00 H new ATOM 0 HG1 THR B 80 13.881 3.569 8.548 1.00 0.00 H new ATOM 0 HG21 THR B 80 13.771 1.072 8.848 1.00 0.00 H new ATOM 0 HG22 THR B 80 12.967 0.538 10.343 1.00 0.00 H new ATOM 0 HG23 THR B 80 11.995 1.092 8.958 1.00 0.00 H new ATOM 2143 N ASN B 81 12.974 4.639 12.341 1.00 0.00 N ATOM 2144 CA ASN B 81 13.225 5.959 12.908 1.00 0.00 C ATOM 2145 C ASN B 81 14.471 6.586 12.292 1.00 0.00 C ATOM 2146 O ASN B 81 15.085 6.015 11.391 1.00 0.00 O ATOM 2147 CB ASN B 81 13.384 5.862 14.426 1.00 0.00 C ATOM 2148 CG ASN B 81 14.451 4.864 14.833 1.00 0.00 C ATOM 2149 OD1 ASN B 81 15.628 5.208 14.945 1.00 0.00 O ATOM 2150 ND2 ASN B 81 14.044 3.620 15.056 1.00 0.00 N ATOM 0 H ASN B 81 13.633 3.920 12.639 1.00 0.00 H new ATOM 0 HA ASN B 81 12.370 6.595 12.680 1.00 0.00 H new ATOM 0 HB2 ASN B 81 13.638 6.844 14.825 1.00 0.00 H new ATOM 0 HB3 ASN B 81 12.432 5.573 14.871 1.00 0.00 H new ATOM 0 HD21 ASN B 81 14.717 2.905 15.332 1.00 0.00 H new ATOM 0 HD22 ASN B 81 13.058 3.379 14.951 1.00 0.00 H new ATOM 2157 N PHE B 82 14.841 7.764 12.786 1.00 0.00 N ATOM 2158 CA PHE B 82 16.015 8.468 12.284 1.00 0.00 C ATOM 2159 C PHE B 82 17.213 8.253 13.203 1.00 0.00 C ATOM 2160 O PHE B 82 18.086 9.113 13.312 1.00 0.00 O ATOM 2161 CB PHE B 82 15.721 9.963 12.152 1.00 0.00 C ATOM 2162 CG PHE B 82 16.557 10.649 11.108 1.00 0.00 C ATOM 2163 CD1 PHE B 82 16.161 10.656 9.780 1.00 0.00 C ATOM 2164 CD2 PHE B 82 17.737 11.285 11.455 1.00 0.00 C ATOM 2165 CE1 PHE B 82 16.927 11.286 8.818 1.00 0.00 C ATOM 2166 CE2 PHE B 82 18.508 11.917 10.498 1.00 0.00 C ATOM 2167 CZ PHE B 82 18.102 11.917 9.177 1.00 0.00 C ATOM 0 H PHE B 82 14.345 8.250 13.533 1.00 0.00 H new ATOM 0 HA PHE B 82 16.257 8.064 11.301 1.00 0.00 H new ATOM 0 HB2 PHE B 82 14.667 10.098 11.908 1.00 0.00 H new ATOM 0 HB3 PHE B 82 15.890 10.445 13.115 1.00 0.00 H new ATOM 0 HD1 PHE B 82 15.243 10.164 9.494 1.00 0.00 H new ATOM 0 HD2 PHE B 82 18.059 11.287 12.486 1.00 0.00 H new ATOM 0 HE1 PHE B 82 16.607 11.285 7.786 1.00 0.00 H new ATOM 0 HE2 PHE B 82 19.426 12.410 10.782 1.00 0.00 H new ATOM 0 HZ PHE B 82 18.703 12.410 8.427 1.00 0.00 H new ATOM 2177 N SER B 83 17.246 7.097 13.862 1.00 0.00 N ATOM 2178 CA SER B 83 18.337 6.764 14.775 1.00 0.00 C ATOM 2179 C SER B 83 18.302 7.652 16.014 1.00 0.00 C ATOM 2180 O SER B 83 18.000 7.188 17.114 1.00 0.00 O ATOM 2181 CB SER B 83 19.688 6.903 14.069 1.00 0.00 C ATOM 2182 OG SER B 83 19.535 6.860 12.661 1.00 0.00 O ATOM 0 H SER B 83 16.530 6.375 13.781 1.00 0.00 H new ATOM 0 HA SER B 83 18.207 5.728 15.089 1.00 0.00 H new ATOM 0 HB2 SER B 83 20.158 7.843 14.358 1.00 0.00 H new ATOM 0 HB3 SER B 83 20.354 6.102 14.390 1.00 0.00 H new ATOM 0 HG SER B 83 20.412 6.953 12.234 1.00 0.00 H new ATOM 2188 N GLY B 84 18.614 8.931 15.830 1.00 0.00 N ATOM 2189 CA GLY B 84 18.612 9.862 16.943 1.00 0.00 C ATOM 2190 C GLY B 84 19.980 10.001 17.584 1.00 0.00 C ATOM 2191 O GLY B 84 20.790 9.076 17.529 1.00 0.00 O ATOM 0 H GLY B 84 18.868 9.339 14.930 1.00 0.00 H new ATOM 0 HA2 GLY B 84 18.276 10.839 16.595 1.00 0.00 H new ATOM 0 HA3 GLY B 84 17.895 9.526 17.692 1.00 0.00 H new ATOM 2195 N PRO B 85 20.270 11.157 18.207 1.00 0.00 N ATOM 2196 CA PRO B 85 21.560 11.401 18.860 1.00 0.00 C ATOM 2197 C PRO B 85 21.928 10.295 19.844 1.00 0.00 C ATOM 2198 O PRO B 85 21.449 10.346 20.996 1.00 0.00 O ATOM 2199 CB PRO B 85 21.342 12.723 19.599 1.00 0.00 C ATOM 2200 CG PRO B 85 20.258 13.406 18.840 1.00 0.00 C ATOM 2201 CD PRO B 85 19.363 12.315 18.322 1.00 0.00 C ATOM 0 HA PRO B 85 22.380 11.430 18.143 1.00 0.00 H new ATOM 0 HB2 PRO B 85 21.053 12.554 20.636 1.00 0.00 H new ATOM 0 HB3 PRO B 85 22.252 13.322 19.615 1.00 0.00 H new ATOM 0 HG2 PRO B 85 19.705 14.092 19.482 1.00 0.00 H new ATOM 0 HG3 PRO B 85 20.668 13.996 18.020 1.00 0.00 H new ATOM 0 HD2 PRO B 85 18.538 12.113 19.005 1.00 0.00 H new ATOM 0 HD3 PRO B 85 18.923 12.578 17.360 1.00 0.00 H new TER 2209 PRO B 85