USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 883 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 84 LYS NZ :NH3+ -139:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Set 2.1: A 61 LYS NZ :NH3+ 179:sc= 2.09 (180deg=0.664) USER MOD Set 2.2: A 73 CYS SG : rot -91:sc= 2.23 USER MOD Set 3.1: A 54 LYS NZ :NH3+ 148:sc= -0.161 (180deg=-1.07) USER MOD Set 3.2: A 58 HIS : no HD1:sc= -0.263 K(o=-0.42,f=-2.6) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0675 (180deg=-0.41) USER MOD Single : A 1 MET N :NH3+ -132:sc= 1.41 (180deg=0.299) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.51 F(o=-3.5!,f=-1.5) USER MOD Single : A 3 THR OG1 : rot -114:sc= 0.554 USER MOD Single : A 7 ASN : amide:sc= -4.19! C(o=-4.2!,f=-9.6!) USER MOD Single : A 8 GLN :FLIP amide:sc= -5.73! C(o=-11!,f=-5.7!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.117 F(o=-0.81,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= -0.112 (180deg=-0.44) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -92:sc= 1.09 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0273 F(o=-0.53,f=-0.027) USER MOD Single : A 34 MET CE :methyl -118:sc= -0.344 (180deg=-3.11) USER MOD Single : A 36 SER OG : rot 21:sc= 0.318 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 85:sc= 0.0393 USER MOD Single : A 42 THR OG1 : rot -150:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.75! C(o=-2.4!,f=-1.7!) USER MOD Single : A 47 SER OG : rot 170:sc= -1.65! USER MOD Single : A 49 GLN : amide:sc= -0.839 K(o=-0.84,f=-1.9) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.414 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 110:sc= 1.25 USER MOD Single : A 63 SER OG : rot -75:sc= 0.674 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.43! C(o=-3.4!,f=-1.4!) USER MOD Single : A 89 GLN : amide:sc= -3.97! C(o=-4!,f=-5.5!) USER MOD Single : A 91 GLN : amide:sc=-0.00784 K(o=-0.0078,f=-0.6) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 157:sc= -2.07! (180deg=-3.54!) USER MOD Single : A 103 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-4.1!) USER MOD Single : A 105 THR OG1 : rot 40:sc= 1.72 USER MOD Single : A 109 TYR OH : rot 30:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 170:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0.73 K(o=0.73,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.342 6.937 9.003 1.00 0.00 N ATOM 2 CA MET A 1 2.202 6.113 8.568 1.00 0.00 C ATOM 3 C MET A 1 1.338 6.902 7.597 1.00 0.00 C ATOM 4 O MET A 1 1.712 7.998 7.168 1.00 0.00 O ATOM 5 CB MET A 1 1.346 5.646 9.769 1.00 0.00 C ATOM 6 CG MET A 1 0.649 6.763 10.549 1.00 0.00 C ATOM 7 SD MET A 1 1.788 7.853 11.426 1.00 0.00 S ATOM 8 CE MET A 1 2.497 6.727 12.637 1.00 0.00 C ATOM 0 H1 MET A 1 4.220 6.385 8.924 1.00 0.00 H new ATOM 0 H2 MET A 1 3.409 7.782 8.401 1.00 0.00 H new ATOM 0 H3 MET A 1 3.203 7.227 9.992 1.00 0.00 H new ATOM 0 HA MET A 1 2.599 5.226 8.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.588 4.952 9.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.985 5.090 10.455 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.050 7.357 9.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.040 6.318 11.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.977 7.301 13.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.708 6.108 13.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.236 6.089 12.152 1.00 0.00 H new ATOM 18 N ASN A 2 0.197 6.337 7.247 1.00 0.00 N ATOM 19 CA ASN A 2 -0.762 6.943 6.336 1.00 0.00 C ATOM 20 C ASN A 2 -1.604 7.897 7.152 1.00 0.00 C ATOM 21 O ASN A 2 -2.608 7.518 7.704 1.00 0.00 O ATOM 22 CB ASN A 2 -1.661 5.845 5.749 1.00 0.00 C ATOM 23 CG ASN A 2 -0.861 4.693 5.195 1.00 0.00 C ATOM 24 OD1 ASN A 2 -0.549 4.732 3.921 1.00 0.00 O flip ATOM 25 ND2 ASN A 2 -0.526 3.764 5.924 1.00 0.00 N flip ATOM 0 H ASN A 2 -0.097 5.424 7.595 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.259 7.463 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.336 5.478 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.281 6.269 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.788 3.769 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.014 2.987 5.544 1.00 0.00 H new ATOM 32 N THR A 3 -1.175 9.117 7.263 1.00 0.00 N ATOM 33 CA THR A 3 -1.778 9.980 8.242 1.00 0.00 C ATOM 34 C THR A 3 -2.807 10.984 7.657 1.00 0.00 C ATOM 35 O THR A 3 -3.282 10.864 6.490 1.00 0.00 O ATOM 36 CB THR A 3 -0.650 10.685 9.059 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.181 11.339 10.221 1.00 0.00 O ATOM 38 CG2 THR A 3 0.094 11.697 8.201 1.00 0.00 C ATOM 0 H THR A 3 -0.429 9.533 6.705 1.00 0.00 H new ATOM 0 HA THR A 3 -2.376 9.358 8.909 1.00 0.00 H new ATOM 0 HB THR A 3 0.047 9.911 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.070 12.308 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.874 12.174 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.546 11.189 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.604 12.454 7.844 1.00 0.00 H new ATOM 46 N ASP A 4 -3.177 11.917 8.527 1.00 0.00 N ATOM 47 CA ASP A 4 -4.109 13.018 8.294 1.00 0.00 C ATOM 48 C ASP A 4 -3.587 13.933 7.209 1.00 0.00 C ATOM 49 O ASP A 4 -2.909 14.927 7.469 1.00 0.00 O ATOM 50 CB ASP A 4 -4.410 13.785 9.587 1.00 0.00 C ATOM 51 CG ASP A 4 -5.345 14.958 9.376 1.00 0.00 C ATOM 52 OD1 ASP A 4 -6.531 14.746 9.066 1.00 0.00 O ATOM 53 OD2 ASP A 4 -4.900 16.120 9.516 1.00 0.00 O ATOM 0 H ASP A 4 -2.810 11.926 9.479 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.054 12.596 7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.851 13.102 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.475 14.146 10.015 1.00 0.00 H new ATOM 58 N VAL A 5 -3.789 13.499 5.976 1.00 0.00 N ATOM 59 CA VAL A 5 -3.326 14.157 4.787 1.00 0.00 C ATOM 60 C VAL A 5 -3.851 13.363 3.598 1.00 0.00 C ATOM 61 O VAL A 5 -4.367 13.906 2.637 1.00 0.00 O ATOM 62 CB VAL A 5 -1.759 14.196 4.739 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.106 12.807 4.624 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.255 15.134 3.658 1.00 0.00 C ATOM 0 H VAL A 5 -4.303 12.641 5.779 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.684 15.186 4.769 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.449 14.591 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.022 12.916 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.388 12.200 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.445 12.320 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.165 15.134 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.620 14.799 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.618 16.143 3.854 1.00 0.00 H new ATOM 74 N LEU A 6 -3.793 12.047 3.723 1.00 0.00 N ATOM 75 CA LEU A 6 -4.136 11.202 2.626 1.00 0.00 C ATOM 76 C LEU A 6 -5.229 10.219 2.932 1.00 0.00 C ATOM 77 O LEU A 6 -6.134 10.096 2.163 1.00 0.00 O ATOM 78 CB LEU A 6 -2.873 10.555 2.004 1.00 0.00 C ATOM 79 CG LEU A 6 -1.919 9.768 2.935 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.410 8.367 3.237 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.509 9.734 2.380 1.00 0.00 C ATOM 0 H LEU A 6 -3.512 11.558 4.573 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.574 11.844 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.200 9.879 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.295 11.346 1.527 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.907 10.309 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.699 7.866 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.382 8.420 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.503 7.806 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.135 9.174 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.514 9.252 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.133 10.752 2.280 1.00 0.00 H new ATOM 93 N ASN A 7 -5.167 9.501 4.028 1.00 0.00 N ATOM 94 CA ASN A 7 -6.202 8.505 4.234 1.00 0.00 C ATOM 95 C ASN A 7 -7.578 9.105 4.536 1.00 0.00 C ATOM 96 O ASN A 7 -8.446 9.073 3.753 1.00 0.00 O ATOM 97 CB ASN A 7 -5.786 7.437 5.221 1.00 0.00 C ATOM 98 CG ASN A 7 -5.988 6.029 4.605 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.358 5.062 5.270 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.717 5.893 3.316 1.00 0.00 N ATOM 0 H ASN A 7 -4.456 9.575 4.756 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.323 8.001 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.740 7.574 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.372 7.529 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.814 4.982 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.411 6.699 2.771 1.00 0.00 H new ATOM 107 N GLN A 8 -7.667 9.879 5.507 1.00 0.00 N ATOM 108 CA GLN A 8 -8.919 10.450 5.974 1.00 0.00 C ATOM 109 C GLN A 8 -9.310 11.524 4.984 1.00 0.00 C ATOM 110 O GLN A 8 -10.470 11.759 4.732 1.00 0.00 O ATOM 111 CB GLN A 8 -8.799 11.095 7.387 1.00 0.00 C ATOM 112 CG GLN A 8 -7.939 10.347 8.432 1.00 0.00 C ATOM 113 CD GLN A 8 -6.495 10.275 8.015 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.088 11.225 7.188 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -5.765 9.366 8.370 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.859 10.174 6.054 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.659 9.654 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.389 12.098 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.804 11.208 7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.015 10.852 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.329 9.338 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.114 8.651 9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.805 9.320 8.028 1.00 0.00 H new ATOM 124 N GLN A 9 -8.328 12.162 4.372 1.00 0.00 N ATOM 125 CA GLN A 9 -8.654 13.133 3.390 1.00 0.00 C ATOM 126 C GLN A 9 -8.947 12.452 2.068 1.00 0.00 C ATOM 127 O GLN A 9 -10.086 12.205 1.763 1.00 0.00 O ATOM 128 CB GLN A 9 -7.565 14.193 3.269 1.00 0.00 C ATOM 129 CG GLN A 9 -7.216 14.851 4.596 1.00 0.00 C ATOM 130 CD GLN A 9 -8.408 15.466 5.320 1.00 0.00 C ATOM 131 OE1 GLN A 9 -9.378 15.967 4.598 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 -8.437 15.503 6.539 1.00 0.00 N flip ATOM 0 H GLN A 9 -7.333 12.019 4.543 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.556 13.660 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.668 13.736 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.890 14.960 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.753 14.109 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.472 15.628 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.669 15.106 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.229 15.931 7.018 1.00 0.00 H new ATOM 141 N LYS A 10 -7.902 11.968 1.409 1.00 0.00 N ATOM 142 CA LYS A 10 -7.992 11.420 0.049 1.00 0.00 C ATOM 143 C LYS A 10 -8.664 10.053 -0.008 1.00 0.00 C ATOM 144 O LYS A 10 -9.133 9.643 -1.056 1.00 0.00 O ATOM 145 CB LYS A 10 -6.617 11.332 -0.622 1.00 0.00 C ATOM 146 CG LYS A 10 -6.103 12.570 -1.370 1.00 0.00 C ATOM 147 CD LYS A 10 -5.813 13.806 -0.513 1.00 0.00 C ATOM 148 CE LYS A 10 -7.064 14.587 -0.148 1.00 0.00 C ATOM 149 NZ LYS A 10 -7.734 15.211 -1.320 1.00 0.00 N ATOM 0 H LYS A 10 -6.960 11.942 1.799 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.619 12.124 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.886 11.077 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.641 10.501 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.189 12.297 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.838 12.843 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.306 13.496 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.128 14.461 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.767 13.920 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.801 15.366 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.497 15.837 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.041 15.765 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.134 14.468 -1.928 1.00 0.00 H new ATOM 163 N ILE A 11 -8.751 9.355 1.102 1.00 0.00 N ATOM 164 CA ILE A 11 -9.408 8.088 1.085 1.00 0.00 C ATOM 165 C ILE A 11 -10.817 8.275 1.456 1.00 0.00 C ATOM 166 O ILE A 11 -11.652 7.774 0.802 1.00 0.00 O ATOM 167 CB ILE A 11 -8.714 6.947 1.964 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.598 5.703 1.178 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.500 6.555 3.255 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.930 5.170 0.852 1.00 0.00 C ATOM 0 H ILE A 11 -8.380 9.644 2.007 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.327 7.711 0.066 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.752 7.373 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.043 5.897 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.032 4.962 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.957 5.775 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.604 7.430 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.488 6.186 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.823 4.253 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.472 4.956 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.483 5.906 0.268 1.00 0.00 H new ATOM 182 N GLU A 12 -11.096 9.085 2.421 1.00 0.00 N ATOM 183 CA GLU A 12 -12.425 9.116 2.900 1.00 0.00 C ATOM 184 C GLU A 12 -13.309 9.880 1.870 1.00 0.00 C ATOM 185 O GLU A 12 -14.501 9.596 1.715 1.00 0.00 O ATOM 186 CB GLU A 12 -12.309 9.673 4.312 1.00 0.00 C ATOM 187 CG GLU A 12 -13.405 9.341 5.301 1.00 0.00 C ATOM 188 CD GLU A 12 -14.716 10.014 5.008 1.00 0.00 C ATOM 189 OE1 GLU A 12 -14.828 11.241 5.258 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.654 9.340 4.568 1.00 0.00 O ATOM 0 H GLU A 12 -10.439 9.716 2.879 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.940 8.159 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.365 9.325 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.244 10.759 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.557 8.262 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.077 9.626 6.301 1.00 0.00 H new ATOM 197 N GLU A 13 -12.634 10.706 1.051 1.00 0.00 N ATOM 198 CA GLU A 13 -13.263 11.491 -0.014 1.00 0.00 C ATOM 199 C GLU A 13 -13.342 10.696 -1.341 1.00 0.00 C ATOM 200 O GLU A 13 -14.288 10.866 -2.113 1.00 0.00 O ATOM 201 CB GLU A 13 -12.488 12.778 -0.274 1.00 0.00 C ATOM 202 CG GLU A 13 -11.147 12.557 -0.934 1.00 0.00 C ATOM 203 CD GLU A 13 -10.411 13.825 -1.257 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.222 14.666 -0.367 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.936 13.983 -2.397 1.00 0.00 O ATOM 0 H GLU A 13 -11.626 10.845 1.115 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.272 11.724 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.090 13.433 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.336 13.298 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.527 11.946 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.295 11.990 -1.853 1.00 0.00 H new ATOM 212 N LEU A 14 -12.340 9.856 -1.622 1.00 0.00 N ATOM 213 CA LEU A 14 -12.327 9.094 -2.869 1.00 0.00 C ATOM 214 C LEU A 14 -12.976 7.764 -2.675 1.00 0.00 C ATOM 215 O LEU A 14 -13.391 7.127 -3.638 1.00 0.00 O ATOM 216 CB LEU A 14 -10.929 8.946 -3.491 1.00 0.00 C ATOM 217 CG LEU A 14 -10.587 9.898 -4.653 1.00 0.00 C ATOM 218 CD1 LEU A 14 -10.683 11.353 -4.241 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.203 9.598 -5.203 1.00 0.00 C ATOM 0 H LEU A 14 -11.540 9.690 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.906 9.673 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.189 9.090 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.821 7.921 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.325 9.727 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.434 11.989 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.698 11.571 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.986 11.547 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.981 10.281 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.462 9.726 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.171 8.571 -5.568 1.00 0.00 H new ATOM 231 N SER A 15 -12.877 7.253 -1.471 1.00 0.00 N ATOM 232 CA SER A 15 -13.729 6.165 -1.077 1.00 0.00 C ATOM 233 C SER A 15 -15.163 6.712 -1.212 1.00 0.00 C ATOM 234 O SER A 15 -15.679 6.750 -2.321 1.00 0.00 O ATOM 235 CB SER A 15 -13.435 5.687 0.361 1.00 0.00 C ATOM 236 OG SER A 15 -14.114 4.486 0.682 1.00 0.00 O ATOM 0 H SER A 15 -12.222 7.571 -0.757 1.00 0.00 H new ATOM 0 HA SER A 15 -13.568 5.286 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.362 5.537 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.727 6.465 1.066 1.00 0.00 H new ATOM 0 HG SER A 15 -13.896 4.222 1.600 1.00 0.00 H new ATOM 242 N ALA A 16 -15.785 7.185 -0.124 1.00 0.00 N ATOM 243 CA ALA A 16 -17.094 7.834 -0.224 1.00 0.00 C ATOM 244 C ALA A 16 -18.100 7.053 -1.116 1.00 0.00 C ATOM 245 O ALA A 16 -18.153 5.835 -1.100 1.00 0.00 O ATOM 246 CB ALA A 16 -16.860 9.247 -0.752 1.00 0.00 C ATOM 0 H ALA A 16 -15.408 7.131 0.822 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.558 7.857 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.815 9.765 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.215 9.791 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.383 9.195 -1.731 1.00 0.00 H new ATOM 252 N GLU A 17 -18.837 7.794 -1.925 1.00 0.00 N ATOM 253 CA GLU A 17 -19.832 7.329 -2.917 1.00 0.00 C ATOM 254 C GLU A 17 -19.233 6.363 -3.926 1.00 0.00 C ATOM 255 O GLU A 17 -19.952 5.692 -4.670 1.00 0.00 O ATOM 256 CB GLU A 17 -20.360 8.508 -3.727 1.00 0.00 C ATOM 257 CG GLU A 17 -21.146 9.562 -2.966 1.00 0.00 C ATOM 258 CD GLU A 17 -20.296 10.367 -2.017 1.00 0.00 C ATOM 259 OE1 GLU A 17 -19.584 11.272 -2.469 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.286 10.072 -0.815 1.00 0.00 O ATOM 0 H GLU A 17 -18.762 8.811 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.618 6.836 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.513 8.997 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.996 8.117 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.622 10.236 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.944 9.076 -2.405 1.00 0.00 H new ATOM 267 N ILE A 18 -17.935 6.326 -3.958 1.00 0.00 N ATOM 268 CA ILE A 18 -17.207 5.454 -4.810 1.00 0.00 C ATOM 269 C ILE A 18 -16.578 4.303 -4.076 1.00 0.00 C ATOM 270 O ILE A 18 -17.234 3.267 -3.959 1.00 0.00 O ATOM 271 CB ILE A 18 -16.362 6.156 -5.919 1.00 0.00 C ATOM 272 CG1 ILE A 18 -15.272 5.236 -6.470 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.819 7.505 -5.465 1.00 0.00 C ATOM 274 CD1 ILE A 18 -14.448 5.813 -7.604 1.00 0.00 C ATOM 0 H ILE A 18 -17.344 6.919 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.949 4.959 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.037 6.368 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.600 4.968 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.739 4.313 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.238 7.953 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.649 8.163 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.181 7.365 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.704 5.082 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.101 6.054 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.945 6.718 -7.264 1.00 0.00 H new ATOM 286 N GLY A 19 -15.348 4.339 -3.592 1.00 0.00 N ATOM 287 CA GLY A 19 -14.725 3.295 -2.874 1.00 0.00 C ATOM 288 C GLY A 19 -15.405 2.742 -1.658 1.00 0.00 C ATOM 289 O GLY A 19 -14.946 1.724 -1.208 1.00 0.00 O ATOM 0 H GLY A 19 -14.743 5.152 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.566 2.468 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.740 3.648 -2.568 1.00 0.00 H new ATOM 293 N SER A 20 -16.489 3.305 -1.132 1.00 0.00 N ATOM 294 CA SER A 20 -17.098 2.650 0.018 1.00 0.00 C ATOM 295 C SER A 20 -17.698 1.295 -0.435 1.00 0.00 C ATOM 296 O SER A 20 -17.897 0.368 0.358 1.00 0.00 O ATOM 297 CB SER A 20 -18.089 3.572 0.752 1.00 0.00 C ATOM 298 OG SER A 20 -19.319 3.731 0.061 1.00 0.00 O ATOM 0 H SER A 20 -16.940 4.159 -1.458 1.00 0.00 H new ATOM 0 HA SER A 20 -16.338 2.434 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 20 -18.287 3.166 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.629 4.550 0.893 1.00 0.00 H new ATOM 0 HG SER A 20 -19.267 4.516 -0.524 1.00 0.00 H new ATOM 304 N ASP A 21 -17.908 1.193 -1.753 1.00 0.00 N ATOM 305 CA ASP A 21 -18.242 -0.088 -2.370 1.00 0.00 C ATOM 306 C ASP A 21 -17.151 -0.607 -3.275 1.00 0.00 C ATOM 307 O ASP A 21 -17.241 -1.735 -3.753 1.00 0.00 O ATOM 308 CB ASP A 21 -19.521 -0.044 -3.193 1.00 0.00 C ATOM 309 CG ASP A 21 -20.782 0.169 -2.393 1.00 0.00 C ATOM 310 OD1 ASP A 21 -21.342 -0.813 -1.867 1.00 0.00 O ATOM 311 OD2 ASP A 21 -21.272 1.316 -2.318 1.00 0.00 O ATOM 0 H ASP A 21 -17.852 1.976 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.374 -0.755 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.435 0.755 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.612 -0.979 -3.747 1.00 0.00 H new ATOM 316 N ASN A 22 -16.126 0.182 -3.552 1.00 0.00 N ATOM 317 CA ASN A 22 -15.085 -0.317 -4.456 1.00 0.00 C ATOM 318 C ASN A 22 -13.739 -0.620 -3.775 1.00 0.00 C ATOM 319 O ASN A 22 -13.170 -1.688 -3.975 1.00 0.00 O ATOM 320 CB ASN A 22 -14.907 0.589 -5.687 1.00 0.00 C ATOM 321 CG ASN A 22 -13.789 0.119 -6.614 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.637 0.747 -6.543 1.00 0.00 O flip ATOM 323 ND2 ASN A 22 -13.987 -0.761 -7.438 1.00 0.00 N flip ATOM 0 H ASN A 22 -15.987 1.125 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.455 -1.283 -4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.843 0.624 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.694 1.606 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.890 -1.233 -7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.249 -1.023 -8.091 1.00 0.00 H new ATOM 330 N VAL A 23 -13.237 0.289 -2.955 1.00 0.00 N ATOM 331 CA VAL A 23 -11.887 0.140 -2.399 1.00 0.00 C ATOM 332 C VAL A 23 -11.660 -1.044 -1.422 1.00 0.00 C ATOM 333 O VAL A 23 -10.635 -1.707 -1.549 1.00 0.00 O ATOM 334 CB VAL A 23 -11.210 1.469 -1.955 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.871 2.122 -0.754 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.720 1.293 -1.728 1.00 0.00 C ATOM 0 H VAL A 23 -13.731 1.131 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.330 -0.177 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.352 2.156 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.344 3.043 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.910 2.352 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.835 1.441 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.284 2.243 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.556 0.548 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.248 0.961 -2.653 1.00 0.00 H new ATOM 346 N PRO A 24 -12.572 -1.372 -0.451 1.00 0.00 N ATOM 347 CA PRO A 24 -12.396 -2.572 0.375 1.00 0.00 C ATOM 348 C PRO A 24 -12.390 -3.810 -0.510 1.00 0.00 C ATOM 349 O PRO A 24 -11.669 -4.763 -0.241 1.00 0.00 O ATOM 350 CB PRO A 24 -13.618 -2.584 1.304 1.00 0.00 C ATOM 351 CG PRO A 24 -14.592 -1.658 0.668 1.00 0.00 C ATOM 352 CD PRO A 24 -13.766 -0.629 -0.036 1.00 0.00 C ATOM 0 HA PRO A 24 -11.458 -2.568 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.032 -3.588 1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.354 -2.251 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.238 -2.188 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.240 -1.198 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.294 -0.208 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.513 0.202 0.623 1.00 0.00 H new ATOM 360 N VAL A 25 -13.177 -3.751 -1.592 1.00 0.00 N ATOM 361 CA VAL A 25 -13.201 -4.838 -2.552 1.00 0.00 C ATOM 362 C VAL A 25 -11.809 -5.019 -3.169 1.00 0.00 C ATOM 363 O VAL A 25 -11.257 -6.110 -3.151 1.00 0.00 O ATOM 364 CB VAL A 25 -14.257 -4.610 -3.661 1.00 0.00 C ATOM 365 CG1 VAL A 25 -14.260 -5.759 -4.665 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.637 -4.450 -3.046 1.00 0.00 C ATOM 0 H VAL A 25 -13.794 -2.970 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.484 -5.746 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.995 -3.696 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.012 -5.570 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.278 -5.837 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.493 -6.691 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.371 -4.290 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.894 -5.351 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.638 -3.594 -2.371 1.00 0.00 H new ATOM 376 N LEU A 26 -11.224 -3.930 -3.642 1.00 0.00 N ATOM 377 CA LEU A 26 -9.928 -3.852 -4.312 1.00 0.00 C ATOM 378 C LEU A 26 -8.819 -4.303 -3.334 1.00 0.00 C ATOM 379 O LEU A 26 -8.064 -5.236 -3.595 1.00 0.00 O ATOM 380 CB LEU A 26 -9.753 -2.343 -4.677 1.00 0.00 C ATOM 381 CG LEU A 26 -9.138 -1.930 -6.012 1.00 0.00 C ATOM 382 CD1 LEU A 26 -9.864 -2.604 -7.164 1.00 0.00 C ATOM 383 CD2 LEU A 26 -9.267 -0.418 -6.164 1.00 0.00 C ATOM 0 H LEU A 26 -11.668 -3.015 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.869 -4.490 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.740 -1.883 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.147 -1.891 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.091 -2.231 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.412 -2.298 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.787 -3.686 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.914 -2.312 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.831 -0.109 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.320 -0.138 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.742 0.076 -5.347 1.00 0.00 H new ATOM 395 N LEU A 27 -8.707 -3.517 -2.292 1.00 0.00 N ATOM 396 CA LEU A 27 -7.755 -3.808 -1.212 1.00 0.00 C ATOM 397 C LEU A 27 -7.788 -5.267 -0.753 1.00 0.00 C ATOM 398 O LEU A 27 -6.744 -5.873 -0.571 1.00 0.00 O ATOM 399 CB LEU A 27 -7.978 -2.870 -0.031 1.00 0.00 C ATOM 400 CG LEU A 27 -7.359 -1.506 -0.204 1.00 0.00 C ATOM 401 CD1 LEU A 27 -7.883 -0.547 0.847 1.00 0.00 C ATOM 402 CD2 LEU A 27 -5.842 -1.592 -0.104 1.00 0.00 C ATOM 0 H LEU A 27 -9.256 -2.668 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.761 -3.637 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.050 -2.753 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.570 -3.331 0.868 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.631 -1.134 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.425 0.432 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.965 -0.459 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.636 -0.924 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.412 -0.598 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.564 -1.985 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.463 -2.254 -0.883 1.00 0.00 H new ATOM 414 N ASP A 28 -8.967 -5.843 -0.609 1.00 0.00 N ATOM 415 CA ASP A 28 -9.057 -7.238 -0.183 1.00 0.00 C ATOM 416 C ASP A 28 -8.543 -8.186 -1.262 1.00 0.00 C ATOM 417 O ASP A 28 -7.895 -9.193 -0.963 1.00 0.00 O ATOM 418 CB ASP A 28 -10.488 -7.612 0.211 1.00 0.00 C ATOM 419 CG ASP A 28 -10.632 -9.062 0.640 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.390 -9.387 1.826 1.00 0.00 O ATOM 421 OD2 ASP A 28 -11.016 -9.908 -0.189 1.00 0.00 O ATOM 0 H ASP A 28 -9.862 -5.383 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.421 -7.343 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.814 -6.965 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.151 -7.422 -0.633 1.00 0.00 H new ATOM 426 N ILE A 29 -8.754 -7.830 -2.516 1.00 0.00 N ATOM 427 CA ILE A 29 -8.411 -8.724 -3.599 1.00 0.00 C ATOM 428 C ILE A 29 -6.943 -8.618 -3.987 1.00 0.00 C ATOM 429 O ILE A 29 -6.243 -9.624 -4.025 1.00 0.00 O ATOM 430 CB ILE A 29 -9.398 -8.649 -4.825 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.480 -7.257 -5.492 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.792 -9.086 -4.406 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.481 -7.013 -6.601 1.00 0.00 C ATOM 0 H ILE A 29 -9.157 -6.938 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.549 -9.733 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.985 -9.327 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.484 -7.123 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.340 -6.496 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.464 -9.029 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.757 -10.112 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.156 -8.430 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.621 -6.009 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.469 -7.108 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.632 -7.745 -7.394 1.00 0.00 H new ATOM 445 N PHE A 30 -6.455 -7.399 -4.188 1.00 0.00 N ATOM 446 CA PHE A 30 -5.083 -7.151 -4.604 1.00 0.00 C ATOM 447 C PHE A 30 -4.078 -7.676 -3.595 1.00 0.00 C ATOM 448 O PHE A 30 -3.038 -8.208 -3.952 1.00 0.00 O ATOM 449 CB PHE A 30 -4.890 -5.661 -4.851 1.00 0.00 C ATOM 450 CG PHE A 30 -5.345 -5.177 -6.203 1.00 0.00 C ATOM 451 CD1 PHE A 30 -4.870 -5.778 -7.358 1.00 0.00 C ATOM 452 CD2 PHE A 30 -6.206 -4.105 -6.327 1.00 0.00 C ATOM 453 CE1 PHE A 30 -5.252 -5.331 -8.605 1.00 0.00 C ATOM 454 CE2 PHE A 30 -6.592 -3.655 -7.579 1.00 0.00 C ATOM 455 CZ PHE A 30 -6.110 -4.267 -8.716 1.00 0.00 C ATOM 0 H PHE A 30 -7.006 -6.550 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.902 -7.695 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.430 -5.107 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.833 -5.422 -4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.188 -6.612 -7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.581 -3.614 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.876 -5.818 -9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.273 -2.821 -7.664 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.407 -3.910 -9.691 1.00 0.00 H new ATOM 465 N LEU A 31 -4.497 -7.644 -2.361 1.00 0.00 N ATOM 466 CA LEU A 31 -3.703 -8.064 -1.299 1.00 0.00 C ATOM 467 C LEU A 31 -3.958 -9.507 -0.962 1.00 0.00 C ATOM 468 O LEU A 31 -3.033 -10.201 -0.616 1.00 0.00 O ATOM 469 CB LEU A 31 -3.875 -7.106 -0.120 1.00 0.00 C ATOM 470 CG LEU A 31 -3.213 -5.713 -0.231 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.720 -5.808 -0.508 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.892 -4.781 -1.235 1.00 0.00 C ATOM 0 H LEU A 31 -5.422 -7.314 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.652 -8.026 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.943 -6.959 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.482 -7.595 0.771 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.353 -5.260 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.298 -4.805 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.233 -6.351 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.557 -6.336 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.369 -3.825 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.862 -5.231 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.929 -4.622 -0.940 1.00 0.00 H new ATOM 484 N GLY A 32 -5.190 -9.986 -1.042 1.00 0.00 N ATOM 485 CA GLY A 32 -5.478 -11.389 -0.820 1.00 0.00 C ATOM 486 C GLY A 32 -4.804 -12.303 -1.840 1.00 0.00 C ATOM 487 O GLY A 32 -4.275 -13.347 -1.475 1.00 0.00 O ATOM 0 H GLY A 32 -6.008 -9.418 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.151 -11.668 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.556 -11.544 -0.858 1.00 0.00 H new ATOM 491 N GLU A 33 -4.805 -11.906 -3.111 1.00 0.00 N ATOM 492 CA GLU A 33 -4.169 -12.697 -4.184 1.00 0.00 C ATOM 493 C GLU A 33 -2.647 -12.598 -4.064 1.00 0.00 C ATOM 494 O GLU A 33 -1.902 -13.530 -4.369 1.00 0.00 O ATOM 495 CB GLU A 33 -4.631 -12.184 -5.541 1.00 0.00 C ATOM 496 CG GLU A 33 -6.143 -12.172 -5.689 1.00 0.00 C ATOM 497 CD GLU A 33 -6.752 -13.557 -5.612 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.721 -14.283 -6.630 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.258 -13.950 -4.534 1.00 0.00 O ATOM 0 H GLU A 33 -5.238 -11.040 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.460 -13.743 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.249 -11.174 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.200 -12.807 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.575 -11.546 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.406 -11.717 -6.644 1.00 0.00 H new ATOM 506 N MET A 34 -2.229 -11.426 -3.644 1.00 0.00 N ATOM 507 CA MET A 34 -0.831 -11.164 -3.302 1.00 0.00 C ATOM 508 C MET A 34 -0.414 -12.170 -2.255 1.00 0.00 C ATOM 509 O MET A 34 0.483 -12.983 -2.448 1.00 0.00 O ATOM 510 CB MET A 34 -0.795 -9.800 -2.657 1.00 0.00 C ATOM 511 CG MET A 34 0.571 -9.248 -2.248 1.00 0.00 C ATOM 512 SD MET A 34 1.183 -9.886 -0.667 1.00 0.00 S ATOM 513 CE MET A 34 0.002 -9.143 0.454 1.00 0.00 C ATOM 0 H MET A 34 -2.842 -10.619 -3.526 1.00 0.00 H new ATOM 0 HA MET A 34 -0.184 -11.222 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.252 -9.090 -3.346 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.425 -9.832 -1.768 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.295 -9.485 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.509 -8.161 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 34 0.522 -8.475 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.734 -8.576 -0.116 1.00 0.00 H new ATOM 0 HE3 MET A 34 -0.502 -9.925 1.022 1.00 0.00 H new ATOM 523 N ASP A 35 -1.189 -12.149 -1.195 1.00 0.00 N ATOM 524 CA ASP A 35 -1.027 -12.924 0.005 1.00 0.00 C ATOM 525 C ASP A 35 -1.043 -14.404 -0.290 1.00 0.00 C ATOM 526 O ASP A 35 -0.302 -15.182 0.316 1.00 0.00 O ATOM 527 CB ASP A 35 -2.199 -12.585 0.901 1.00 0.00 C ATOM 528 CG ASP A 35 -2.162 -13.328 2.218 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.334 -12.981 3.089 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.950 -14.272 2.395 1.00 0.00 O ATOM 0 H ASP A 35 -2.009 -11.543 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.070 -12.692 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.205 -11.512 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.128 -12.821 0.382 1.00 0.00 H new ATOM 535 N SER A 36 -1.857 -14.756 -1.277 1.00 0.00 N ATOM 536 CA SER A 36 -2.069 -16.140 -1.660 1.00 0.00 C ATOM 537 C SER A 36 -0.773 -16.789 -1.950 1.00 0.00 C ATOM 538 O SER A 36 -0.417 -17.863 -1.457 1.00 0.00 O ATOM 539 CB SER A 36 -2.821 -16.255 -2.961 1.00 0.00 C ATOM 540 OG SER A 36 -4.092 -15.630 -2.900 1.00 0.00 O ATOM 0 H SER A 36 -2.388 -14.086 -1.834 1.00 0.00 H new ATOM 0 HA SER A 36 -2.614 -16.595 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.233 -15.803 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.947 -17.308 -3.214 1.00 0.00 H new ATOM 0 HG SER A 36 -4.101 -14.978 -2.168 1.00 0.00 H new ATOM 546 N TYR A 37 -0.084 -16.084 -2.776 1.00 0.00 N ATOM 547 CA TYR A 37 1.113 -16.515 -3.313 1.00 0.00 C ATOM 548 C TYR A 37 2.206 -16.502 -2.352 1.00 0.00 C ATOM 549 O TYR A 37 3.049 -17.309 -2.422 1.00 0.00 O ATOM 550 CB TYR A 37 1.413 -15.760 -4.572 1.00 0.00 C ATOM 551 CG TYR A 37 0.666 -16.397 -5.668 1.00 0.00 C ATOM 552 CD1 TYR A 37 1.208 -17.488 -6.289 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.599 -15.980 -6.014 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.527 -18.168 -7.255 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.319 -16.657 -6.978 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.745 -17.757 -7.602 1.00 0.00 C ATOM 557 OH TYR A 37 -1.447 -18.452 -8.557 1.00 0.00 O ATOM 0 H TYR A 37 -0.369 -15.158 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 37 1.005 -17.566 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.122 -14.715 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.483 -15.774 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.197 -17.818 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.031 -15.118 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.978 -19.019 -7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.315 -16.335 -7.243 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.325 -18.036 -8.685 1.00 0.00 H new ATOM 567 N ILE A 38 2.151 -15.683 -1.381 1.00 0.00 N ATOM 568 CA ILE A 38 3.277 -15.575 -0.513 1.00 0.00 C ATOM 569 C ILE A 38 3.313 -16.699 0.471 1.00 0.00 C ATOM 570 O ILE A 38 4.380 -17.160 0.892 1.00 0.00 O ATOM 571 CB ILE A 38 3.418 -14.153 0.015 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.124 -13.323 -1.070 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.181 -14.088 1.330 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.608 -13.465 -2.510 1.00 0.00 C ATOM 0 H ILE A 38 1.358 -15.081 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 38 4.208 -15.721 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 38 2.427 -13.752 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.056 -12.272 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.181 -13.587 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.251 -13.051 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.656 -14.674 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.183 -14.493 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.194 -12.826 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.703 -14.503 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.560 -13.167 -2.552 1.00 0.00 H new ATOM 586 N GLY A 39 2.144 -17.215 0.730 1.00 0.00 N ATOM 587 CA GLY A 39 2.045 -18.428 1.451 1.00 0.00 C ATOM 588 C GLY A 39 2.765 -19.543 0.673 1.00 0.00 C ATOM 589 O GLY A 39 3.701 -20.163 1.165 1.00 0.00 O ATOM 0 H GLY A 39 1.253 -16.806 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.489 -18.314 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.998 -18.691 1.600 1.00 0.00 H new ATOM 593 N THR A 40 2.432 -19.655 -0.598 1.00 0.00 N ATOM 594 CA THR A 40 2.874 -20.731 -1.424 1.00 0.00 C ATOM 595 C THR A 40 4.248 -20.461 -2.059 1.00 0.00 C ATOM 596 O THR A 40 5.197 -21.163 -1.762 1.00 0.00 O ATOM 597 CB THR A 40 1.813 -20.973 -2.499 1.00 0.00 C ATOM 598 OG1 THR A 40 0.528 -20.968 -1.858 1.00 0.00 O ATOM 599 CG2 THR A 40 2.020 -22.312 -3.183 1.00 0.00 C ATOM 0 H THR A 40 1.836 -18.983 -1.082 1.00 0.00 H new ATOM 0 HA THR A 40 3.000 -21.620 -0.806 1.00 0.00 H new ATOM 0 HB THR A 40 1.883 -20.192 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.209 -20.045 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.251 -22.456 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.003 -22.332 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.955 -23.111 -2.445 1.00 0.00 H new ATOM 607 N LEU A 41 4.372 -19.417 -2.887 1.00 0.00 N ATOM 608 CA LEU A 41 5.561 -19.104 -3.647 1.00 0.00 C ATOM 609 C LEU A 41 6.778 -18.769 -2.756 1.00 0.00 C ATOM 610 O LEU A 41 7.887 -18.906 -3.192 1.00 0.00 O ATOM 611 CB LEU A 41 5.245 -18.013 -4.735 1.00 0.00 C ATOM 612 CG LEU A 41 4.992 -16.533 -4.346 1.00 0.00 C ATOM 613 CD1 LEU A 41 6.072 -15.872 -3.543 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.639 -15.700 -5.565 1.00 0.00 C ATOM 0 H LEU A 41 3.615 -18.752 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 41 5.867 -20.004 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.076 -18.018 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.364 -18.353 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 41 4.140 -16.579 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.788 -14.842 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.211 -16.412 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.004 -15.881 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.467 -14.667 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.460 -15.736 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.736 -16.098 -6.028 1.00 0.00 H new ATOM 626 N THR A 42 6.546 -18.336 -1.517 1.00 0.00 N ATOM 627 CA THR A 42 7.658 -18.097 -0.588 1.00 0.00 C ATOM 628 C THR A 42 8.074 -19.385 0.075 1.00 0.00 C ATOM 629 O THR A 42 9.256 -19.695 0.220 1.00 0.00 O ATOM 630 CB THR A 42 7.281 -17.049 0.468 1.00 0.00 C ATOM 631 OG1 THR A 42 6.968 -15.817 -0.182 1.00 0.00 O ATOM 632 CG2 THR A 42 8.398 -16.836 1.476 1.00 0.00 C ATOM 0 H THR A 42 5.619 -18.146 -1.136 1.00 0.00 H new ATOM 0 HA THR A 42 8.500 -17.710 -1.162 1.00 0.00 H new ATOM 0 HB THR A 42 6.412 -17.414 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.190 -15.069 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.091 -16.087 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.611 -17.775 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.294 -16.493 0.959 1.00 0.00 H new ATOM 640 N GLU A 43 7.090 -20.139 0.434 1.00 0.00 N ATOM 641 CA GLU A 43 7.329 -21.458 0.997 1.00 0.00 C ATOM 642 C GLU A 43 7.777 -22.459 -0.064 1.00 0.00 C ATOM 643 O GLU A 43 8.031 -23.624 0.226 1.00 0.00 O ATOM 644 CB GLU A 43 6.154 -21.946 1.821 1.00 0.00 C ATOM 645 CG GLU A 43 6.049 -21.193 3.132 1.00 0.00 C ATOM 646 CD GLU A 43 4.807 -21.508 3.918 1.00 0.00 C ATOM 647 OE1 GLU A 43 4.625 -22.670 4.330 1.00 0.00 O ATOM 648 OE2 GLU A 43 4.016 -20.575 4.185 1.00 0.00 O ATOM 0 H GLU A 43 6.107 -19.880 0.354 1.00 0.00 H new ATOM 0 HA GLU A 43 8.163 -21.367 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.232 -21.821 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.264 -23.012 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.922 -21.423 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.076 -20.123 2.928 1.00 0.00 H new ATOM 655 N LEU A 44 7.876 -21.995 -1.301 1.00 0.00 N ATOM 656 CA LEU A 44 8.366 -22.787 -2.370 1.00 0.00 C ATOM 657 C LEU A 44 9.674 -22.219 -2.901 1.00 0.00 C ATOM 658 O LEU A 44 10.482 -22.951 -3.460 1.00 0.00 O ATOM 659 CB LEU A 44 7.295 -22.849 -3.468 1.00 0.00 C ATOM 660 CG LEU A 44 6.108 -23.780 -3.217 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.182 -23.767 -4.416 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.573 -25.196 -2.911 1.00 0.00 C ATOM 0 H LEU A 44 7.611 -21.048 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 44 8.574 -23.797 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.910 -21.841 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.777 -23.155 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 44 5.564 -23.418 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.338 -24.432 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.816 -22.754 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.725 -24.106 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.706 -25.834 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.144 -25.582 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.202 -25.188 -2.021 1.00 0.00 H new ATOM 674 N GLN A 45 9.890 -20.921 -2.668 1.00 0.00 N ATOM 675 CA GLN A 45 11.015 -20.194 -3.267 1.00 0.00 C ATOM 676 C GLN A 45 11.065 -18.758 -2.820 1.00 0.00 C ATOM 677 O GLN A 45 10.283 -18.334 -1.994 1.00 0.00 O ATOM 678 CB GLN A 45 10.934 -20.321 -4.785 1.00 0.00 C ATOM 679 CG GLN A 45 9.617 -19.908 -5.409 1.00 0.00 C ATOM 680 CD GLN A 45 9.509 -20.343 -6.858 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.719 -19.650 -7.643 1.00 0.00 O flip ATOM 682 NE2 GLN A 45 10.111 -21.344 -7.265 1.00 0.00 N flip ATOM 0 H GLN A 45 9.298 -20.349 -2.066 1.00 0.00 H new ATOM 0 HA GLN A 45 11.948 -20.640 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.728 -19.718 -5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.134 -21.358 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.795 -20.341 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.511 -18.825 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.719 -21.865 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.999 -21.648 -8.232 1.00 0.00 H new ATOM 691 N GLY A 46 12.003 -18.009 -3.340 1.00 0.00 N ATOM 692 CA GLY A 46 12.105 -16.617 -3.006 1.00 0.00 C ATOM 693 C GLY A 46 11.284 -15.787 -3.929 1.00 0.00 C ATOM 694 O GLY A 46 11.591 -14.648 -4.135 1.00 0.00 O ATOM 0 H GLY A 46 12.707 -18.343 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.775 -16.460 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.147 -16.302 -3.057 1.00 0.00 H new ATOM 698 N SER A 47 10.290 -16.422 -4.545 1.00 0.00 N ATOM 699 CA SER A 47 9.365 -15.777 -5.421 1.00 0.00 C ATOM 700 C SER A 47 8.790 -14.494 -4.810 1.00 0.00 C ATOM 701 O SER A 47 8.303 -13.679 -5.516 1.00 0.00 O ATOM 702 CB SER A 47 8.327 -16.788 -5.927 1.00 0.00 C ATOM 703 OG SER A 47 7.441 -16.243 -6.880 1.00 0.00 O ATOM 0 H SER A 47 10.117 -17.421 -4.435 1.00 0.00 H new ATOM 0 HA SER A 47 9.890 -15.422 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.844 -17.641 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.753 -17.165 -5.080 1.00 0.00 H new ATOM 0 HG SER A 47 6.912 -16.962 -7.283 1.00 0.00 H new ATOM 709 N GLU A 48 8.672 -14.412 -3.493 1.00 0.00 N ATOM 710 CA GLU A 48 8.439 -13.089 -2.820 1.00 0.00 C ATOM 711 C GLU A 48 9.241 -11.909 -3.529 1.00 0.00 C ATOM 712 O GLU A 48 8.862 -10.756 -3.472 1.00 0.00 O ATOM 713 CB GLU A 48 8.852 -13.182 -1.348 1.00 0.00 C ATOM 714 CG GLU A 48 9.864 -14.286 -1.085 1.00 0.00 C ATOM 715 CD GLU A 48 10.590 -14.145 0.230 1.00 0.00 C ATOM 716 OE1 GLU A 48 9.951 -14.208 1.279 1.00 0.00 O ATOM 717 OE2 GLU A 48 11.824 -13.942 0.230 1.00 0.00 O ATOM 0 H GLU A 48 8.728 -15.210 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 48 7.376 -12.859 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.274 -12.227 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.966 -13.356 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.352 -15.248 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.595 -14.297 -1.894 1.00 0.00 H new ATOM 724 N GLN A 49 10.354 -12.257 -4.161 1.00 0.00 N ATOM 725 CA GLN A 49 11.102 -11.382 -5.079 1.00 0.00 C ATOM 726 C GLN A 49 10.103 -10.747 -6.090 1.00 0.00 C ATOM 727 O GLN A 49 9.997 -9.526 -6.211 1.00 0.00 O ATOM 728 CB GLN A 49 12.125 -12.303 -5.804 1.00 0.00 C ATOM 729 CG GLN A 49 13.099 -11.691 -6.819 1.00 0.00 C ATOM 730 CD GLN A 49 12.466 -11.159 -8.104 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.146 -9.981 -8.225 1.00 0.00 O ATOM 732 NE2 GLN A 49 12.224 -12.038 -9.048 1.00 0.00 N ATOM 0 H GLN A 49 10.780 -13.178 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 49 11.616 -10.569 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.720 -12.799 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.559 -13.079 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.635 -10.875 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.840 -12.445 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.501 -13.012 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.759 -11.748 -9.908 1.00 0.00 H new ATOM 741 N LEU A 50 9.344 -11.626 -6.754 1.00 0.00 N ATOM 742 CA LEU A 50 8.311 -11.345 -7.707 1.00 0.00 C ATOM 743 C LEU A 50 7.351 -10.461 -7.060 1.00 0.00 C ATOM 744 O LEU A 50 7.035 -9.398 -7.576 1.00 0.00 O ATOM 745 CB LEU A 50 7.585 -12.635 -8.000 1.00 0.00 C ATOM 746 CG LEU A 50 6.381 -12.581 -8.922 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.783 -12.262 -10.336 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.577 -13.862 -8.833 1.00 0.00 C ATOM 0 H LEU A 50 9.461 -12.629 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 50 8.727 -10.905 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.304 -13.333 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.259 -13.058 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 50 5.736 -11.767 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.896 -12.231 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.281 -11.293 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.464 -13.030 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.719 -13.800 -9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.203 -14.706 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.229 -14.003 -7.810 1.00 0.00 H new ATOM 760 N LEU A 51 6.947 -10.904 -5.876 1.00 0.00 N ATOM 761 CA LEU A 51 5.983 -10.247 -5.051 1.00 0.00 C ATOM 762 C LEU A 51 6.176 -8.762 -5.000 1.00 0.00 C ATOM 763 O LEU A 51 5.233 -8.048 -5.111 1.00 0.00 O ATOM 764 CB LEU A 51 6.048 -10.785 -3.654 1.00 0.00 C ATOM 765 CG LEU A 51 5.265 -10.018 -2.633 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.798 -10.186 -2.905 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.685 -10.439 -1.247 1.00 0.00 C ATOM 0 H LEU A 51 7.305 -11.765 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 51 5.009 -10.445 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.691 -11.815 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.092 -10.812 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 51 5.473 -8.950 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.224 -9.629 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.567 -9.808 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.536 -11.242 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.113 -9.879 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.498 -11.505 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.748 -10.238 -1.112 1.00 0.00 H new ATOM 779 N TYR A 52 7.387 -8.313 -5.001 1.00 0.00 N ATOM 780 CA TYR A 52 7.720 -6.938 -4.851 1.00 0.00 C ATOM 781 C TYR A 52 7.412 -6.177 -6.116 1.00 0.00 C ATOM 782 O TYR A 52 6.680 -5.195 -6.099 1.00 0.00 O ATOM 783 CB TYR A 52 9.187 -6.896 -4.640 1.00 0.00 C ATOM 784 CG TYR A 52 9.731 -5.546 -4.251 1.00 0.00 C ATOM 785 CD1 TYR A 52 9.011 -4.688 -3.426 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.970 -5.136 -4.702 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.521 -3.458 -3.064 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.492 -3.909 -4.343 1.00 0.00 C ATOM 789 CZ TYR A 52 10.764 -3.075 -3.519 1.00 0.00 C ATOM 790 OH TYR A 52 11.271 -1.849 -3.162 1.00 0.00 O ATOM 0 H TYR A 52 8.201 -8.917 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 52 7.156 -6.494 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.449 -7.615 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.681 -7.221 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.039 -4.989 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.541 -5.787 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.949 -2.799 -2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.463 -3.604 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 52 10.924 -1.595 -2.282 1.00 0.00 H new ATOM 800 N LEU A 53 7.909 -6.714 -7.211 1.00 0.00 N ATOM 801 CA LEU A 53 7.733 -5.961 -8.434 1.00 0.00 C ATOM 802 C LEU A 53 6.312 -6.012 -8.879 1.00 0.00 C ATOM 803 O LEU A 53 5.752 -5.009 -9.310 1.00 0.00 O ATOM 804 CB LEU A 53 8.816 -6.182 -9.550 1.00 0.00 C ATOM 805 CG LEU A 53 8.891 -7.464 -10.426 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.201 -8.703 -9.633 1.00 0.00 C ATOM 807 CD2 LEU A 53 7.679 -7.653 -11.332 1.00 0.00 C ATOM 0 H LEU A 53 8.403 -7.603 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 53 7.946 -4.921 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.723 -5.343 -10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.786 -6.086 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 53 9.740 -7.299 -11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.240 -9.563 -10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.164 -8.586 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.424 -8.860 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.799 -8.567 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.778 -7.726 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.593 -6.801 -12.007 1.00 0.00 H new ATOM 819 N LYS A 54 5.699 -7.145 -8.693 1.00 0.00 N ATOM 820 CA LYS A 54 4.315 -7.211 -9.004 1.00 0.00 C ATOM 821 C LYS A 54 3.442 -6.475 -8.039 1.00 0.00 C ATOM 822 O LYS A 54 2.679 -5.720 -8.467 1.00 0.00 O ATOM 823 CB LYS A 54 3.761 -8.577 -9.350 1.00 0.00 C ATOM 824 CG LYS A 54 4.415 -9.675 -8.583 1.00 0.00 C ATOM 825 CD LYS A 54 3.497 -10.548 -7.762 1.00 0.00 C ATOM 826 CE LYS A 54 2.828 -9.800 -6.637 1.00 0.00 C ATOM 827 NZ LYS A 54 1.454 -9.293 -6.989 1.00 0.00 N ATOM 0 H LYS A 54 6.123 -8.003 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 54 4.278 -6.671 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.689 -8.590 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.891 -8.757 -10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.955 -10.310 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.156 -9.234 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.734 -10.976 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.068 -11.380 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.754 -10.455 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.455 -8.957 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.856 -9.292 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.526 -8.325 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.030 -9.911 -7.710 1.00 0.00 H new ATOM 841 N GLU A 55 3.650 -6.632 -6.757 1.00 0.00 N ATOM 842 CA GLU A 55 2.734 -6.006 -5.788 1.00 0.00 C ATOM 843 C GLU A 55 2.612 -4.519 -5.998 1.00 0.00 C ATOM 844 O GLU A 55 1.584 -4.020 -6.402 1.00 0.00 O ATOM 845 CB GLU A 55 3.130 -6.358 -4.344 1.00 0.00 C ATOM 846 CG GLU A 55 2.688 -5.415 -3.246 1.00 0.00 C ATOM 847 CD GLU A 55 1.204 -5.260 -3.230 1.00 0.00 C ATOM 848 OE1 GLU A 55 0.507 -6.282 -3.119 1.00 0.00 O ATOM 849 OE2 GLU A 55 0.738 -4.138 -3.442 1.00 0.00 O ATOM 0 H GLU A 55 4.417 -7.168 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 55 1.741 -6.420 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.731 -7.347 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.216 -6.435 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.027 -5.792 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.156 -4.441 -3.390 1.00 0.00 H new ATOM 856 N ILE A 56 3.668 -3.855 -5.774 1.00 0.00 N ATOM 857 CA ILE A 56 3.639 -2.414 -5.815 1.00 0.00 C ATOM 858 C ILE A 56 3.483 -1.832 -7.231 1.00 0.00 C ATOM 859 O ILE A 56 3.351 -0.622 -7.374 1.00 0.00 O ATOM 860 CB ILE A 56 4.846 -1.815 -5.120 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.080 -2.262 -5.871 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.908 -2.270 -3.660 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.351 -1.934 -5.161 1.00 0.00 C ATOM 0 H ILE A 56 4.577 -4.264 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 56 2.739 -2.129 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 56 4.779 -0.727 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.029 -3.339 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.089 -1.792 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.781 -1.830 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.006 -1.948 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.981 -3.357 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.198 -2.281 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.423 -0.855 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.362 -2.426 -4.188 1.00 0.00 H new ATOM 875 N SER A 57 3.541 -2.664 -8.266 1.00 0.00 N ATOM 876 CA SER A 57 3.236 -2.180 -9.613 1.00 0.00 C ATOM 877 C SER A 57 1.782 -2.565 -9.944 1.00 0.00 C ATOM 878 O SER A 57 1.060 -1.853 -10.637 1.00 0.00 O ATOM 879 CB SER A 57 4.227 -2.781 -10.628 1.00 0.00 C ATOM 880 OG SER A 57 4.059 -2.277 -11.945 1.00 0.00 O ATOM 0 H SER A 57 3.789 -3.651 -8.206 1.00 0.00 H new ATOM 0 HA SER A 57 3.339 -1.096 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.245 -2.577 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.108 -3.864 -10.643 1.00 0.00 H new ATOM 0 HG SER A 57 4.716 -2.694 -12.541 1.00 0.00 H new ATOM 886 N HIS A 58 1.409 -3.716 -9.451 1.00 0.00 N ATOM 887 CA HIS A 58 0.102 -4.275 -9.569 1.00 0.00 C ATOM 888 C HIS A 58 -0.831 -3.719 -8.528 1.00 0.00 C ATOM 889 O HIS A 58 -1.498 -2.740 -8.818 1.00 0.00 O ATOM 890 CB HIS A 58 0.168 -5.826 -9.678 1.00 0.00 C ATOM 891 CG HIS A 58 -0.996 -6.644 -9.230 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.882 -7.446 -8.118 1.00 0.00 N ATOM 893 CD2 HIS A 58 -2.215 -6.808 -9.778 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.031 -8.073 -8.020 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.867 -7.726 -8.999 1.00 0.00 N ATOM 0 H HIS A 58 2.048 -4.316 -8.929 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.350 -3.961 -10.510 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.357 -6.072 -10.723 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.038 -6.157 -9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.602 -6.314 -10.657 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.270 -8.783 -7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.814 -8.078 -9.141 1.00 0.00 H new ATOM 903 N ALA A 59 -0.877 -4.202 -7.305 1.00 0.00 N ATOM 904 CA ALA A 59 -1.835 -3.956 -6.271 1.00 0.00 C ATOM 905 C ALA A 59 -1.698 -2.581 -5.671 1.00 0.00 C ATOM 906 O ALA A 59 -2.633 -1.763 -5.771 1.00 0.00 O ATOM 907 CB ALA A 59 -1.633 -5.003 -5.198 1.00 0.00 C ATOM 0 H ALA A 59 -0.157 -4.850 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.835 -4.010 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.350 -4.842 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.782 -5.995 -5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.620 -4.927 -4.802 1.00 0.00 H new ATOM 913 N LEU A 60 -0.555 -2.320 -5.042 1.00 0.00 N ATOM 914 CA LEU A 60 -0.331 -1.045 -4.398 1.00 0.00 C ATOM 915 C LEU A 60 -0.463 0.086 -5.375 1.00 0.00 C ATOM 916 O LEU A 60 -1.193 1.020 -5.131 1.00 0.00 O ATOM 917 CB LEU A 60 1.006 -1.002 -3.696 1.00 0.00 C ATOM 918 CG LEU A 60 0.946 -0.482 -2.269 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.155 -1.454 -1.385 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.345 -0.262 -1.739 1.00 0.00 C ATOM 0 H LEU A 60 0.222 -2.976 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.103 -0.925 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.431 -2.006 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.685 -0.373 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 60 0.428 0.477 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.119 -1.071 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.859 -1.554 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.643 -2.429 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.292 0.111 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.892 -1.205 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.861 0.467 -2.364 1.00 0.00 H new ATOM 932 N LYS A 61 0.137 -0.055 -6.528 1.00 0.00 N ATOM 933 CA LYS A 61 0.062 0.983 -7.540 1.00 0.00 C ATOM 934 C LYS A 61 -1.384 1.194 -8.005 1.00 0.00 C ATOM 935 O LYS A 61 -1.765 2.301 -8.357 1.00 0.00 O ATOM 936 CB LYS A 61 0.983 0.640 -8.703 1.00 0.00 C ATOM 937 CG LYS A 61 1.014 1.601 -9.912 1.00 0.00 C ATOM 938 CD LYS A 61 1.831 2.892 -9.710 1.00 0.00 C ATOM 939 CE LYS A 61 1.200 3.894 -8.750 1.00 0.00 C ATOM 940 NZ LYS A 61 1.929 5.190 -8.750 1.00 0.00 N ATOM 0 H LYS A 61 0.683 -0.874 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 61 0.398 1.925 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.998 0.561 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.705 -0.348 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.420 1.065 -10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.011 1.875 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.821 2.626 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.971 3.374 -10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.160 4.061 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.195 3.479 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.461 5.852 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.910 5.036 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.926 5.590 -9.710 1.00 0.00 H new ATOM 954 N SER A 62 -2.230 0.187 -7.844 1.00 0.00 N ATOM 955 CA SER A 62 -3.597 0.271 -8.286 1.00 0.00 C ATOM 956 C SER A 62 -4.476 0.948 -7.254 1.00 0.00 C ATOM 957 O SER A 62 -5.025 2.051 -7.483 1.00 0.00 O ATOM 958 CB SER A 62 -4.137 -1.109 -8.648 1.00 0.00 C ATOM 959 OG SER A 62 -3.563 -1.590 -9.852 1.00 0.00 O ATOM 0 H SER A 62 -1.982 -0.700 -7.406 1.00 0.00 H new ATOM 0 HA SER A 62 -3.616 0.888 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.926 -1.808 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.221 -1.061 -8.754 1.00 0.00 H new ATOM 0 HG SER A 62 -2.964 -2.340 -9.652 1.00 0.00 H new ATOM 965 N SER A 63 -4.530 0.357 -6.090 1.00 0.00 N ATOM 966 CA SER A 63 -5.405 0.791 -5.090 1.00 0.00 C ATOM 967 C SER A 63 -4.868 2.078 -4.535 1.00 0.00 C ATOM 968 O SER A 63 -5.614 2.991 -4.342 1.00 0.00 O ATOM 969 CB SER A 63 -5.539 -0.293 -4.008 1.00 0.00 C ATOM 970 OG SER A 63 -6.601 -0.014 -3.113 1.00 0.00 O ATOM 0 H SER A 63 -3.954 -0.444 -5.829 1.00 0.00 H new ATOM 0 HA SER A 63 -6.404 0.967 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.707 -1.260 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.605 -0.369 -3.451 1.00 0.00 H new ATOM 0 HG SER A 63 -6.334 0.705 -2.502 1.00 0.00 H new ATOM 976 N ALA A 64 -3.552 2.171 -4.364 1.00 0.00 N ATOM 977 CA ALA A 64 -2.990 3.370 -3.736 1.00 0.00 C ATOM 978 C ALA A 64 -3.151 4.583 -4.621 1.00 0.00 C ATOM 979 O ALA A 64 -3.356 5.644 -4.139 1.00 0.00 O ATOM 980 CB ALA A 64 -1.552 3.215 -3.257 1.00 0.00 C ATOM 0 H ALA A 64 -2.873 1.461 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.577 3.521 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.216 4.149 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.499 2.415 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.911 2.970 -4.104 1.00 0.00 H new ATOM 986 N ALA A 65 -3.150 4.416 -5.921 1.00 0.00 N ATOM 987 CA ALA A 65 -3.353 5.519 -6.843 1.00 0.00 C ATOM 988 C ALA A 65 -4.775 6.045 -6.673 1.00 0.00 C ATOM 989 O ALA A 65 -5.095 7.166 -7.076 1.00 0.00 O ATOM 990 CB ALA A 65 -3.134 5.045 -8.268 1.00 0.00 C ATOM 0 H ALA A 65 -3.009 3.514 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.642 6.317 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.288 5.877 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.116 4.670 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.841 4.248 -8.499 1.00 0.00 H new ATOM 996 N SER A 66 -5.635 5.212 -6.111 1.00 0.00 N ATOM 997 CA SER A 66 -6.962 5.630 -5.770 1.00 0.00 C ATOM 998 C SER A 66 -7.091 5.968 -4.261 1.00 0.00 C ATOM 999 O SER A 66 -7.666 6.988 -3.925 1.00 0.00 O ATOM 1000 CB SER A 66 -7.979 4.551 -6.182 1.00 0.00 C ATOM 1001 OG SER A 66 -9.316 4.981 -5.966 1.00 0.00 O ATOM 0 H SER A 66 -5.425 4.240 -5.885 1.00 0.00 H new ATOM 0 HA SER A 66 -7.177 6.545 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.841 4.304 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.793 3.640 -5.614 1.00 0.00 H new ATOM 0 HG SER A 66 -9.936 4.273 -6.240 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.550 5.144 -3.346 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.832 5.355 -1.898 1.00 0.00 C ATOM 1009 C PHE A 67 -5.674 6.027 -1.128 1.00 0.00 C ATOM 1010 O PHE A 67 -5.730 6.255 0.085 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.242 4.015 -1.226 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.131 3.197 -0.603 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -5.316 2.407 -1.366 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -5.921 3.229 0.767 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.309 1.663 -0.799 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -4.918 2.490 1.349 1.00 0.00 C ATOM 1017 CZ PHE A 67 -4.110 1.704 0.559 1.00 0.00 C ATOM 0 H PHE A 67 -5.939 4.356 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.665 6.056 -1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.978 4.234 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.740 3.398 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.467 2.367 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.556 3.844 1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.676 1.047 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.765 2.526 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.320 1.120 1.007 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.666 6.374 -1.842 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.476 6.919 -1.242 1.00 0.00 C ATOM 1029 C GLY A 68 -2.655 7.561 -2.289 1.00 0.00 C ATOM 1030 O GLY A 68 -1.432 7.434 -2.328 1.00 0.00 O ATOM 0 H GLY A 68 -4.630 6.294 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.741 7.646 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.908 6.129 -0.750 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.380 8.292 -3.101 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.837 8.967 -4.274 1.00 0.00 C ATOM 1036 C ALA A 69 -1.917 10.138 -3.892 1.00 0.00 C ATOM 1037 O ALA A 69 -1.726 11.073 -4.670 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.995 9.470 -5.120 1.00 0.00 C ATOM 0 H ALA A 69 -4.380 8.442 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.231 8.255 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.607 9.978 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.613 8.627 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.597 10.166 -4.536 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.346 10.062 -2.706 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.489 11.067 -2.171 1.00 0.00 C ATOM 1046 C ASP A 70 0.868 10.375 -2.005 1.00 0.00 C ATOM 1047 O ASP A 70 1.403 9.809 -2.992 1.00 0.00 O ATOM 1048 CB ASP A 70 -1.057 11.651 -0.863 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.161 12.691 -0.224 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -0.007 13.797 -0.773 1.00 0.00 O ATOM 1051 OD2 ASP A 70 0.417 12.399 0.833 1.00 0.00 O ATOM 0 H ASP A 70 -1.479 9.268 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.395 11.937 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.030 12.098 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.221 10.840 -0.154 1.00 0.00 H new ATOM 1056 N ARG A 71 1.418 10.263 -0.820 1.00 0.00 N ATOM 1057 CA ARG A 71 2.698 9.725 -0.498 1.00 0.00 C ATOM 1058 C ARG A 71 2.824 8.215 -0.561 1.00 0.00 C ATOM 1059 O ARG A 71 3.749 7.756 -1.141 1.00 0.00 O ATOM 1060 CB ARG A 71 3.044 10.222 0.875 1.00 0.00 C ATOM 1061 CG ARG A 71 3.416 11.695 0.909 1.00 0.00 C ATOM 1062 CD ARG A 71 3.425 12.250 2.323 1.00 0.00 C ATOM 1063 NE ARG A 71 3.803 13.668 2.350 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.952 14.704 2.231 1.00 0.00 C ATOM 1065 NH1 ARG A 71 1.685 14.508 1.870 1.00 0.00 N ATOM 1066 NH2 ARG A 71 3.399 15.943 2.395 1.00 0.00 N ATOM 0 H ARG A 71 0.925 10.579 0.015 1.00 0.00 H new ATOM 0 HA ARG A 71 3.392 10.066 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.196 10.054 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.876 9.636 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.400 11.830 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.709 12.261 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.437 12.129 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.122 11.676 2.934 1.00 0.00 H new ATOM 0 HE ARG A 71 4.792 13.886 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.349 13.564 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.051 15.302 1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.383 16.106 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.759 16.732 2.306 1.00 0.00 H new ATOM 1080 N LEU A 72 1.930 7.411 0.005 1.00 0.00 N ATOM 1081 CA LEU A 72 2.172 5.932 -0.062 1.00 0.00 C ATOM 1082 C LEU A 72 2.266 5.465 -1.510 1.00 0.00 C ATOM 1083 O LEU A 72 2.877 4.475 -1.826 1.00 0.00 O ATOM 1084 CB LEU A 72 1.147 5.071 0.693 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.311 5.160 0.255 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.085 3.945 0.732 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.930 6.400 0.840 1.00 0.00 C ATOM 0 H LEU A 72 1.082 7.707 0.488 1.00 0.00 H new ATOM 0 HA LEU A 72 3.122 5.784 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.459 4.030 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.197 5.338 1.749 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.349 5.198 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.123 4.026 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.643 3.043 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.045 3.892 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.973 6.468 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.878 6.354 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.389 7.278 0.487 1.00 0.00 H new ATOM 1099 N CYS A 73 1.699 6.268 -2.346 1.00 0.00 N ATOM 1100 CA CYS A 73 1.735 5.930 -3.744 1.00 0.00 C ATOM 1101 C CYS A 73 3.195 6.003 -4.275 1.00 0.00 C ATOM 1102 O CYS A 73 3.809 4.983 -4.597 1.00 0.00 O ATOM 1103 CB CYS A 73 0.728 6.780 -4.527 1.00 0.00 C ATOM 1104 SG CYS A 73 0.643 6.487 -6.298 1.00 0.00 S ATOM 0 H CYS A 73 1.219 7.135 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 73 1.418 4.898 -3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.263 6.612 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.969 7.831 -4.366 1.00 0.00 H new ATOM 0 HG CYS A 73 1.475 7.278 -6.909 1.00 0.00 H new ATOM 1110 N GLU A 74 3.824 7.151 -4.156 1.00 0.00 N ATOM 1111 CA GLU A 74 5.161 7.314 -4.786 1.00 0.00 C ATOM 1112 C GLU A 74 6.264 7.342 -3.758 1.00 0.00 C ATOM 1113 O GLU A 74 7.407 6.901 -3.991 1.00 0.00 O ATOM 1114 CB GLU A 74 5.189 8.574 -5.637 1.00 0.00 C ATOM 1115 CG GLU A 74 5.087 8.355 -7.131 1.00 0.00 C ATOM 1116 CD GLU A 74 3.976 7.414 -7.554 1.00 0.00 C ATOM 1117 OE1 GLU A 74 2.806 7.827 -7.622 1.00 0.00 O ATOM 1118 OE2 GLU A 74 4.271 6.231 -7.850 1.00 0.00 O ATOM 0 H GLU A 74 3.470 7.967 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 74 5.336 6.449 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.368 9.220 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.114 9.111 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.935 9.319 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.037 7.962 -7.494 1.00 0.00 H new ATOM 1125 N ARG A 75 5.888 7.826 -2.623 1.00 0.00 N ATOM 1126 CA ARG A 75 6.764 7.980 -1.509 1.00 0.00 C ATOM 1127 C ARG A 75 6.887 6.609 -0.821 1.00 0.00 C ATOM 1128 O ARG A 75 7.765 6.389 -0.064 1.00 0.00 O ATOM 1129 CB ARG A 75 6.198 9.106 -0.595 1.00 0.00 C ATOM 1130 CG ARG A 75 6.692 9.212 0.853 1.00 0.00 C ATOM 1131 CD ARG A 75 6.114 8.101 1.725 1.00 0.00 C ATOM 1132 NE ARG A 75 6.758 7.974 3.035 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.254 6.819 3.502 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.450 5.815 2.660 1.00 0.00 N ATOM 1135 NH2 ARG A 75 7.640 6.708 4.770 1.00 0.00 N ATOM 0 H ARG A 75 4.934 8.135 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 75 7.770 8.289 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.404 10.059 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.115 8.991 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.781 9.161 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.411 10.182 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.050 8.285 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.204 7.153 1.194 1.00 0.00 H new ATOM 0 HE ARG A 75 6.833 8.806 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.224 5.927 1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.827 4.930 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.560 7.507 5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.016 5.824 5.113 1.00 0.00 H new ATOM 1149 N ALA A 76 5.997 5.679 -1.040 1.00 0.00 N ATOM 1150 CA ALA A 76 6.299 4.384 -0.456 1.00 0.00 C ATOM 1151 C ALA A 76 7.163 3.699 -1.460 1.00 0.00 C ATOM 1152 O ALA A 76 8.031 2.937 -1.138 1.00 0.00 O ATOM 1153 CB ALA A 76 5.058 3.580 -0.149 1.00 0.00 C ATOM 0 H ALA A 76 5.129 5.766 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 76 6.796 4.495 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.343 2.622 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.435 4.128 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.498 3.409 -1.069 1.00 0.00 H new ATOM 1159 N ILE A 77 6.799 3.976 -2.689 1.00 0.00 N ATOM 1160 CA ILE A 77 7.699 3.356 -3.664 1.00 0.00 C ATOM 1161 C ILE A 77 9.234 3.701 -3.498 1.00 0.00 C ATOM 1162 O ILE A 77 10.019 2.859 -2.955 1.00 0.00 O ATOM 1163 CB ILE A 77 7.170 3.395 -5.106 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.776 2.739 -5.144 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.114 2.670 -6.065 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.584 1.645 -4.110 1.00 0.00 C ATOM 0 H ILE A 77 6.013 4.536 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 77 7.681 2.299 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 77 7.106 4.434 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.019 3.508 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.609 2.321 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.711 2.716 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.093 3.148 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.212 1.628 -5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.579 1.232 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.317 0.855 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.718 2.061 -3.111 1.00 0.00 H new ATOM 1178 N ALA A 78 9.702 4.875 -3.936 1.00 0.00 N ATOM 1179 CA ALA A 78 11.116 5.231 -3.670 1.00 0.00 C ATOM 1180 C ALA A 78 11.553 5.280 -2.219 1.00 0.00 C ATOM 1181 O ALA A 78 12.708 4.960 -1.897 1.00 0.00 O ATOM 1182 CB ALA A 78 11.447 6.559 -4.319 1.00 0.00 C ATOM 0 H ALA A 78 9.161 5.570 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 78 11.672 4.400 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.488 6.813 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.292 6.486 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.799 7.335 -3.911 1.00 0.00 H new ATOM 1188 N ILE A 79 10.648 5.592 -1.344 1.00 0.00 N ATOM 1189 CA ILE A 79 11.031 5.986 -0.005 1.00 0.00 C ATOM 1190 C ILE A 79 10.908 4.847 0.995 1.00 0.00 C ATOM 1191 O ILE A 79 11.449 4.907 2.142 1.00 0.00 O ATOM 1192 CB ILE A 79 10.234 7.220 0.387 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.322 8.247 -0.743 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.677 7.819 1.702 1.00 0.00 C ATOM 1195 CD1 ILE A 79 11.680 8.892 -0.929 1.00 0.00 C ATOM 0 H ILE A 79 9.644 5.585 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 79 12.091 6.241 0.007 1.00 0.00 H new ATOM 0 HB ILE A 79 9.198 6.917 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.038 7.761 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.588 9.031 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.070 8.696 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.556 7.082 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.725 8.111 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.635 9.603 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.963 9.414 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.420 8.124 -1.152 1.00 0.00 H new ATOM 1207 N ASP A 80 10.551 3.697 0.476 1.00 0.00 N ATOM 1208 CA ASP A 80 10.500 2.542 1.273 1.00 0.00 C ATOM 1209 C ASP A 80 11.673 1.788 1.116 1.00 0.00 C ATOM 1210 O ASP A 80 12.347 1.575 2.112 1.00 0.00 O ATOM 1211 CB ASP A 80 9.232 1.682 1.176 1.00 0.00 C ATOM 1212 CG ASP A 80 8.141 2.156 2.123 1.00 0.00 C ATOM 1213 OD1 ASP A 80 7.750 3.336 2.052 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.743 1.388 3.019 1.00 0.00 O ATOM 0 H ASP A 80 10.294 3.558 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 80 10.436 2.920 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.857 1.705 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.481 0.645 1.401 1.00 0.00 H new ATOM 1219 N LYS A 81 11.993 1.472 -0.136 1.00 0.00 N ATOM 1220 CA LYS A 81 13.181 0.714 -0.381 1.00 0.00 C ATOM 1221 C LYS A 81 14.343 1.343 0.378 1.00 0.00 C ATOM 1222 O LYS A 81 14.878 0.699 1.295 1.00 0.00 O ATOM 1223 CB LYS A 81 13.444 0.485 -1.883 1.00 0.00 C ATOM 1224 CG LYS A 81 13.521 1.729 -2.756 1.00 0.00 C ATOM 1225 CD LYS A 81 13.651 1.356 -4.217 1.00 0.00 C ATOM 1226 CE LYS A 81 13.728 2.590 -5.092 1.00 0.00 C ATOM 1227 NZ LYS A 81 13.788 2.236 -6.531 1.00 0.00 N ATOM 0 H LYS A 81 11.454 1.727 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 81 13.051 -0.296 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.381 -0.062 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.655 -0.158 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.628 2.337 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.374 2.338 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.544 0.748 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.798 0.747 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.859 3.222 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.609 3.173 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.840 3.105 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.631 1.654 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.935 1.701 -6.793 1.00 0.00 H new ATOM 1241 N LYS A 82 14.666 2.615 0.054 1.00 0.00 N ATOM 1242 CA LYS A 82 15.697 3.364 0.763 1.00 0.00 C ATOM 1243 C LYS A 82 15.819 3.146 2.279 1.00 0.00 C ATOM 1244 O LYS A 82 16.816 2.562 2.727 1.00 0.00 O ATOM 1245 CB LYS A 82 15.823 4.826 0.285 1.00 0.00 C ATOM 1246 CG LYS A 82 14.620 5.740 0.470 1.00 0.00 C ATOM 1247 CD LYS A 82 14.364 6.163 1.902 1.00 0.00 C ATOM 1248 CE LYS A 82 15.577 6.813 2.567 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.021 8.057 1.909 1.00 0.00 N ATOM 0 H LYS A 82 14.218 3.136 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 82 16.616 2.873 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.669 5.276 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.072 4.811 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.761 6.633 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.733 5.233 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.529 6.863 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.064 5.291 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.337 7.029 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.402 6.101 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.846 8.441 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.282 7.854 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.249 8.754 1.927 1.00 0.00 H new ATOM 1263 N ALA A 83 14.816 3.326 3.112 1.00 0.00 N ATOM 1264 CA ALA A 83 15.096 3.245 4.499 1.00 0.00 C ATOM 1265 C ALA A 83 14.005 2.578 5.156 1.00 0.00 C ATOM 1266 O ALA A 83 14.202 2.062 6.167 1.00 0.00 O ATOM 1267 CB ALA A 83 15.351 4.602 5.134 1.00 0.00 C ATOM 0 H ALA A 83 13.848 3.520 2.855 1.00 0.00 H new ATOM 0 HA ALA A 83 16.018 2.677 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.559 4.473 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.206 5.075 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.471 5.233 5.011 1.00 0.00 H new ATOM 1273 N LYS A 84 12.821 2.794 4.675 1.00 0.00 N ATOM 1274 CA LYS A 84 11.770 1.945 5.211 1.00 0.00 C ATOM 1275 C LYS A 84 12.172 0.504 5.216 1.00 0.00 C ATOM 1276 O LYS A 84 12.007 -0.151 6.235 1.00 0.00 O ATOM 1277 CB LYS A 84 10.502 2.081 4.484 1.00 0.00 C ATOM 1278 CG LYS A 84 9.966 3.468 4.561 1.00 0.00 C ATOM 1279 CD LYS A 84 9.572 3.771 5.993 1.00 0.00 C ATOM 1280 CE LYS A 84 8.473 2.808 6.466 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.049 3.072 7.859 1.00 0.00 N ATOM 0 H LYS A 84 12.556 3.485 3.973 1.00 0.00 H new ATOM 0 HA LYS A 84 11.618 2.286 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.651 1.806 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.771 1.385 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.717 4.180 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.103 3.574 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.443 3.684 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.219 4.800 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.611 2.893 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.835 1.783 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.914 2.169 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.780 3.630 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.155 3.603 7.855 1.00 0.00 H new ATOM 1295 N ALA A 85 12.736 -0.008 4.132 1.00 0.00 N ATOM 1296 CA ALA A 85 13.165 -1.339 4.149 1.00 0.00 C ATOM 1297 C ALA A 85 14.497 -1.415 4.844 1.00 0.00 C ATOM 1298 O ALA A 85 14.731 -2.391 5.581 1.00 0.00 O ATOM 1299 CB ALA A 85 13.275 -1.867 2.732 1.00 0.00 C ATOM 0 H ALA A 85 12.892 0.494 3.258 1.00 0.00 H new ATOM 0 HA ALA A 85 12.442 -1.953 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.610 -2.904 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.301 -1.811 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.994 -1.266 2.175 1.00 0.00 H new ATOM 1305 N ASN A 86 15.397 -0.405 4.687 1.00 0.00 N ATOM 1306 CA ASN A 86 16.612 -0.469 5.477 1.00 0.00 C ATOM 1307 C ASN A 86 16.437 -0.387 6.995 1.00 0.00 C ATOM 1308 O ASN A 86 17.305 -0.833 7.734 1.00 0.00 O ATOM 1309 CB ASN A 86 17.770 0.377 4.966 1.00 0.00 C ATOM 1310 CG ASN A 86 18.508 -0.291 3.818 1.00 0.00 C ATOM 1311 OD1 ASN A 86 19.434 -1.196 4.136 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 18.225 -0.031 2.649 1.00 0.00 N flip ATOM 0 H ASN A 86 15.300 0.397 4.065 1.00 0.00 H new ATOM 0 HA ASN A 86 16.914 -1.501 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.393 1.346 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.467 0.566 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.511 0.667 2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.704 -0.514 1.889 1.00 0.00 H new ATOM 1319 N GLN A 87 15.338 0.182 7.450 1.00 0.00 N ATOM 1320 CA GLN A 87 15.039 0.335 8.856 1.00 0.00 C ATOM 1321 C GLN A 87 14.231 -0.854 9.333 1.00 0.00 C ATOM 1322 O GLN A 87 14.262 -1.200 10.511 1.00 0.00 O ATOM 1323 CB GLN A 87 14.271 1.681 9.087 1.00 0.00 C ATOM 1324 CG GLN A 87 12.768 1.695 8.718 1.00 0.00 C ATOM 1325 CD GLN A 87 11.774 1.563 9.870 1.00 0.00 C ATOM 1326 OE1 GLN A 87 12.144 0.900 10.943 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 10.653 2.076 9.782 1.00 0.00 N flip ATOM 0 H GLN A 87 14.614 0.558 6.838 1.00 0.00 H new ATOM 0 HA GLN A 87 15.963 0.371 9.433 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.366 1.951 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.770 2.461 8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.556 2.626 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.583 0.882 8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.390 2.586 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.991 1.990 10.553 1.00 0.00 H new ATOM 1336 N LEU A 88 13.468 -1.449 8.416 1.00 0.00 N ATOM 1337 CA LEU A 88 12.615 -2.623 8.610 1.00 0.00 C ATOM 1338 C LEU A 88 13.374 -3.828 9.147 1.00 0.00 C ATOM 1339 O LEU A 88 12.780 -4.693 9.783 1.00 0.00 O ATOM 1340 CB LEU A 88 12.000 -2.997 7.237 1.00 0.00 C ATOM 1341 CG LEU A 88 10.533 -3.446 7.152 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.252 -4.711 7.950 1.00 0.00 C ATOM 1343 CD2 LEU A 88 9.583 -2.324 7.546 1.00 0.00 C ATOM 0 H LEU A 88 13.426 -1.103 7.458 1.00 0.00 H new ATOM 0 HA LEU A 88 11.855 -2.367 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.113 -2.132 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.609 -3.796 6.815 1.00 0.00 H new ATOM 0 HG LEU A 88 10.351 -3.693 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.200 -4.978 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.870 -5.525 7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.485 -4.538 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.554 -2.676 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.790 -2.015 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.723 -1.476 6.876 1.00 0.00 H new ATOM 1355 N GLN A 89 14.686 -3.894 8.951 1.00 0.00 N ATOM 1356 CA GLN A 89 15.532 -5.050 9.225 1.00 0.00 C ATOM 1357 C GLN A 89 16.914 -4.538 9.461 1.00 0.00 C ATOM 1358 O GLN A 89 17.270 -3.485 8.933 1.00 0.00 O ATOM 1359 CB GLN A 89 15.667 -5.898 7.965 1.00 0.00 C ATOM 1360 CG GLN A 89 14.431 -5.960 7.141 1.00 0.00 C ATOM 1361 CD GLN A 89 14.630 -6.593 5.814 1.00 0.00 C ATOM 1362 OE1 GLN A 89 15.462 -7.468 5.612 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.877 -6.115 4.891 1.00 0.00 N ATOM 0 H GLN A 89 15.214 -3.105 8.579 1.00 0.00 H new ATOM 0 HA GLN A 89 15.110 -5.613 10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.478 -5.498 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.952 -6.911 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.668 -6.514 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.049 -4.949 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.199 -5.386 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.957 -6.464 3.936 1.00 0.00 H new ATOM 1372 N GLU A 90 17.724 -5.270 10.194 1.00 0.00 N ATOM 1373 CA GLU A 90 19.122 -4.901 10.324 1.00 0.00 C ATOM 1374 C GLU A 90 19.845 -5.363 9.032 1.00 0.00 C ATOM 1375 O GLU A 90 21.036 -5.128 8.830 1.00 0.00 O ATOM 1376 CB GLU A 90 19.733 -5.585 11.552 1.00 0.00 C ATOM 1377 CG GLU A 90 19.037 -5.237 12.861 1.00 0.00 C ATOM 1378 CD GLU A 90 19.059 -3.752 13.149 1.00 0.00 C ATOM 1379 OE1 GLU A 90 20.031 -3.268 13.763 1.00 0.00 O ATOM 1380 OE2 GLU A 90 18.121 -3.044 12.755 1.00 0.00 O ATOM 0 H GLU A 90 17.448 -6.110 10.702 1.00 0.00 H new ATOM 0 HA GLU A 90 19.228 -3.824 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.698 -6.665 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.784 -5.307 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.004 -5.582 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.521 -5.770 13.679 1.00 0.00 H new ATOM 1387 N GLN A 91 19.071 -6.020 8.163 1.00 0.00 N ATOM 1388 CA GLN A 91 19.530 -6.502 6.864 1.00 0.00 C ATOM 1389 C GLN A 91 19.098 -5.514 5.785 1.00 0.00 C ATOM 1390 O GLN A 91 19.457 -5.668 4.617 1.00 0.00 O ATOM 1391 CB GLN A 91 18.862 -7.830 6.491 1.00 0.00 C ATOM 1392 CG GLN A 91 18.994 -8.967 7.482 1.00 0.00 C ATOM 1393 CD GLN A 91 20.421 -9.280 7.865 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.356 -9.044 7.110 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.593 -9.864 9.022 1.00 0.00 N ATOM 0 H GLN A 91 18.091 -6.234 8.349 1.00 0.00 H new ATOM 0 HA GLN A 91 20.612 -6.619 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.800 -7.642 6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.275 -8.161 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.432 -8.719 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.537 -9.861 7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.791 -10.045 9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.529 -10.138 9.321 1.00 0.00 H new ATOM 1404 N GLY A 92 18.379 -4.462 6.209 1.00 0.00 N ATOM 1405 CA GLY A 92 17.714 -3.487 5.343 1.00 0.00 C ATOM 1406 C GLY A 92 17.283 -3.851 3.926 1.00 0.00 C ATOM 1407 O GLY A 92 17.532 -3.070 3.018 1.00 0.00 O ATOM 0 H GLY A 92 18.243 -4.264 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.821 -3.150 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 92 18.380 -2.628 5.262 1.00 0.00 H new ATOM 1411 N MET A 93 16.729 -5.026 3.747 1.00 0.00 N ATOM 1412 CA MET A 93 16.237 -5.540 2.460 1.00 0.00 C ATOM 1413 C MET A 93 16.846 -6.812 2.024 1.00 0.00 C ATOM 1414 O MET A 93 18.048 -6.913 1.745 1.00 0.00 O ATOM 1415 CB MET A 93 15.815 -4.519 1.358 1.00 0.00 C ATOM 1416 CG MET A 93 15.271 -5.085 0.036 1.00 0.00 C ATOM 1417 SD MET A 93 16.509 -5.856 -1.034 1.00 0.00 S ATOM 1418 CE MET A 93 15.480 -6.393 -2.404 1.00 0.00 C ATOM 0 H MET A 93 16.597 -5.687 4.513 1.00 0.00 H new ATOM 0 HA MET A 93 15.225 -5.842 2.728 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.054 -3.863 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.680 -3.897 1.127 1.00 0.00 H new ATOM 0 HG2 MET A 93 14.500 -5.822 0.264 1.00 0.00 H new ATOM 0 HG3 MET A 93 14.788 -4.278 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 93 16.099 -6.889 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.723 -7.088 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.992 -5.528 -2.853 1.00 0.00 H new ATOM 1428 N GLU A 94 15.976 -7.789 2.008 1.00 0.00 N ATOM 1429 CA GLU A 94 16.335 -9.146 1.848 1.00 0.00 C ATOM 1430 C GLU A 94 15.084 -10.051 1.680 1.00 0.00 C ATOM 1431 O GLU A 94 15.157 -11.079 0.989 1.00 0.00 O ATOM 1432 CB GLU A 94 17.134 -9.506 3.098 1.00 0.00 C ATOM 1433 CG GLU A 94 17.564 -10.940 3.158 1.00 0.00 C ATOM 1434 CD GLU A 94 18.427 -11.242 4.344 1.00 0.00 C ATOM 1435 OE1 GLU A 94 19.656 -11.035 4.272 1.00 0.00 O ATOM 1436 OE2 GLU A 94 17.901 -11.734 5.361 1.00 0.00 O ATOM 0 H GLU A 94 14.972 -7.642 2.110 1.00 0.00 H new ATOM 0 HA GLU A 94 16.923 -9.302 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.018 -8.871 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.532 -9.281 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.681 -11.578 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.108 -11.189 2.247 1.00 0.00 H new ATOM 1443 N THR A 95 13.925 -9.626 2.244 1.00 0.00 N ATOM 1444 CA THR A 95 12.675 -10.426 2.261 1.00 0.00 C ATOM 1445 C THR A 95 11.668 -9.882 3.265 1.00 0.00 C ATOM 1446 O THR A 95 10.459 -9.823 2.999 1.00 0.00 O ATOM 1447 CB THR A 95 12.900 -11.948 2.559 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.649 -12.630 2.731 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.780 -12.203 3.790 1.00 0.00 C ATOM 0 H THR A 95 13.831 -8.718 2.700 1.00 0.00 H new ATOM 0 HA THR A 95 12.283 -10.336 1.248 1.00 0.00 H new ATOM 0 HB THR A 95 13.426 -12.340 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.816 -13.578 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.895 -13.277 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.760 -11.751 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.311 -11.763 4.670 1.00 0.00 H new ATOM 1457 N SER A 96 12.164 -9.429 4.394 1.00 0.00 N ATOM 1458 CA SER A 96 11.326 -9.044 5.496 1.00 0.00 C ATOM 1459 C SER A 96 10.569 -7.756 5.226 1.00 0.00 C ATOM 1460 O SER A 96 9.694 -7.378 5.989 1.00 0.00 O ATOM 1461 CB SER A 96 12.213 -8.897 6.709 1.00 0.00 C ATOM 1462 OG SER A 96 13.037 -10.048 6.854 1.00 0.00 O ATOM 0 H SER A 96 13.163 -9.319 4.570 1.00 0.00 H new ATOM 0 HA SER A 96 10.567 -9.810 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.833 -8.006 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.602 -8.762 7.602 1.00 0.00 H new ATOM 0 HG SER A 96 13.610 -9.943 7.642 1.00 0.00 H new ATOM 1468 N GLU A 97 10.905 -7.108 4.140 1.00 0.00 N ATOM 1469 CA GLU A 97 10.283 -5.848 3.774 1.00 0.00 C ATOM 1470 C GLU A 97 9.147 -6.074 2.764 1.00 0.00 C ATOM 1471 O GLU A 97 8.102 -5.442 2.829 1.00 0.00 O ATOM 1472 CB GLU A 97 11.348 -4.865 3.251 1.00 0.00 C ATOM 1473 CG GLU A 97 11.974 -5.192 1.888 1.00 0.00 C ATOM 1474 CD GLU A 97 12.565 -6.574 1.843 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.607 -6.808 2.436 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.946 -7.456 1.317 1.00 0.00 O ATOM 0 H GLU A 97 11.614 -7.432 3.482 1.00 0.00 H new ATOM 0 HA GLU A 97 9.831 -5.400 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.897 -3.875 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.149 -4.806 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.215 -5.099 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.750 -4.461 1.663 1.00 0.00 H new ATOM 1483 N MET A 98 9.368 -6.958 1.828 1.00 0.00 N ATOM 1484 CA MET A 98 8.364 -7.337 0.861 1.00 0.00 C ATOM 1485 C MET A 98 7.209 -8.102 1.521 1.00 0.00 C ATOM 1486 O MET A 98 6.050 -7.872 1.215 1.00 0.00 O ATOM 1487 CB MET A 98 8.994 -8.034 -0.377 1.00 0.00 C ATOM 1488 CG MET A 98 9.989 -9.155 -0.123 1.00 0.00 C ATOM 1489 SD MET A 98 10.879 -9.539 -1.649 1.00 0.00 S ATOM 1490 CE MET A 98 12.059 -10.770 -1.126 1.00 0.00 C ATOM 0 H MET A 98 10.258 -7.442 1.711 1.00 0.00 H new ATOM 0 HA MET A 98 7.905 -6.433 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.183 -8.436 -0.985 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.493 -7.271 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.693 -8.860 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.468 -10.042 0.238 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.368 -11.366 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.930 -10.278 -0.694 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.601 -11.419 -0.379 1.00 0.00 H new ATOM 1500 N LEU A 99 7.525 -9.007 2.435 1.00 0.00 N ATOM 1501 CA LEU A 99 6.455 -9.664 3.224 1.00 0.00 C ATOM 1502 C LEU A 99 5.782 -8.628 4.157 1.00 0.00 C ATOM 1503 O LEU A 99 4.575 -8.700 4.497 1.00 0.00 O ATOM 1504 CB LEU A 99 7.059 -10.781 4.076 1.00 0.00 C ATOM 1505 CG LEU A 99 7.941 -11.792 3.341 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.449 -12.847 4.302 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.205 -12.422 2.169 1.00 0.00 C ATOM 0 H LEU A 99 8.475 -9.306 2.656 1.00 0.00 H new ATOM 0 HA LEU A 99 5.714 -10.079 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.650 -10.324 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.245 -11.323 4.557 1.00 0.00 H new ATOM 0 HG LEU A 99 8.800 -11.259 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.075 -13.559 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.035 -12.371 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.603 -13.372 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.860 -13.135 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.317 -12.938 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.910 -11.645 1.464 1.00 0.00 H new ATOM 1519 N ALA A 100 6.602 -7.660 4.546 1.00 0.00 N ATOM 1520 CA ALA A 100 6.172 -6.575 5.424 1.00 0.00 C ATOM 1521 C ALA A 100 5.013 -5.823 4.832 1.00 0.00 C ATOM 1522 O ALA A 100 4.165 -5.342 5.565 1.00 0.00 O ATOM 1523 CB ALA A 100 7.291 -5.608 5.737 1.00 0.00 C ATOM 0 H ALA A 100 7.581 -7.603 4.264 1.00 0.00 H new ATOM 0 HA ALA A 100 5.860 -7.045 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.919 -4.821 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.103 -6.140 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.659 -5.165 4.811 1.00 0.00 H new ATOM 1529 N LEU A 101 4.927 -5.800 3.502 1.00 0.00 N ATOM 1530 CA LEU A 101 3.869 -5.131 2.777 1.00 0.00 C ATOM 1531 C LEU A 101 2.513 -5.596 3.251 1.00 0.00 C ATOM 1532 O LEU A 101 1.585 -4.802 3.345 1.00 0.00 O ATOM 1533 CB LEU A 101 4.012 -5.373 1.295 1.00 0.00 C ATOM 1534 CG LEU A 101 5.320 -4.849 0.666 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.446 -5.258 -0.790 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.434 -3.337 0.803 1.00 0.00 C ATOM 0 H LEU A 101 5.608 -6.257 2.895 1.00 0.00 H new ATOM 0 HA LEU A 101 3.952 -4.061 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.943 -6.445 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.170 -4.906 0.784 1.00 0.00 H new ATOM 0 HG LEU A 101 6.142 -5.307 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.380 -4.870 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.442 -6.345 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.607 -4.852 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.366 -3.000 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.593 -2.862 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.425 -3.066 1.859 1.00 0.00 H new ATOM 1548 N LEU A 102 2.409 -6.852 3.628 1.00 0.00 N ATOM 1549 CA LEU A 102 1.186 -7.375 4.140 1.00 0.00 C ATOM 1550 C LEU A 102 0.897 -6.839 5.525 1.00 0.00 C ATOM 1551 O LEU A 102 -0.197 -6.328 5.761 1.00 0.00 O ATOM 1552 CB LEU A 102 1.174 -8.887 4.177 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.009 -9.470 4.942 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.313 -9.281 4.175 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.227 -10.917 5.334 1.00 0.00 C ATOM 0 H LEU A 102 3.173 -7.527 3.584 1.00 0.00 H new ATOM 0 HA LEU A 102 0.406 -7.046 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.158 -9.267 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.100 -9.238 4.633 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.104 -8.912 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.137 -9.707 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.492 -8.217 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.244 -9.783 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.640 -11.293 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.381 -11.516 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.110 -10.982 5.970 1.00 0.00 H new ATOM 1567 N HIS A 103 1.854 -6.950 6.453 1.00 0.00 N ATOM 1568 CA HIS A 103 1.552 -6.497 7.810 1.00 0.00 C ATOM 1569 C HIS A 103 1.203 -4.991 7.787 1.00 0.00 C ATOM 1570 O HIS A 103 0.316 -4.537 8.488 1.00 0.00 O ATOM 1571 CB HIS A 103 2.681 -6.833 8.837 1.00 0.00 C ATOM 1572 CG HIS A 103 3.744 -5.783 9.011 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.905 -5.793 8.300 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.710 -4.684 9.784 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.542 -4.684 8.640 1.00 0.00 C ATOM 1576 NE2 HIS A 103 4.856 -3.988 9.543 1.00 0.00 N ATOM 0 H HIS A 103 2.790 -7.327 6.303 1.00 0.00 H new ATOM 0 HA HIS A 103 0.683 -7.052 8.163 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.220 -7.020 9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.162 -7.761 8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.922 -4.405 10.468 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.497 -4.382 8.236 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.134 -3.105 9.971 1.00 0.00 H new ATOM 1584 N ILE A 104 1.848 -4.261 6.891 1.00 0.00 N ATOM 1585 CA ILE A 104 1.606 -2.820 6.802 1.00 0.00 C ATOM 1586 C ILE A 104 0.265 -2.516 6.126 1.00 0.00 C ATOM 1587 O ILE A 104 -0.480 -1.642 6.567 1.00 0.00 O ATOM 1588 CB ILE A 104 2.827 -2.023 6.191 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.580 -0.513 6.015 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.313 -2.603 4.885 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.909 -0.145 4.699 1.00 0.00 C ATOM 0 H ILE A 104 2.530 -4.627 6.226 1.00 0.00 H new ATOM 0 HA ILE A 104 1.523 -2.445 7.822 1.00 0.00 H new ATOM 0 HB ILE A 104 3.604 -2.140 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.961 -0.158 6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.533 0.011 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.152 -2.014 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.634 -3.633 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.504 -2.582 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.770 0.935 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.537 -0.467 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.940 -0.639 4.634 1.00 0.00 H new ATOM 1603 N THR A 105 -0.080 -3.297 5.134 1.00 0.00 N ATOM 1604 CA THR A 105 -1.337 -3.061 4.444 1.00 0.00 C ATOM 1605 C THR A 105 -2.527 -3.467 5.315 1.00 0.00 C ATOM 1606 O THR A 105 -3.609 -2.896 5.211 1.00 0.00 O ATOM 1607 CB THR A 105 -1.405 -3.763 3.057 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.554 -3.307 2.327 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.517 -5.264 3.212 1.00 0.00 C ATOM 0 H THR A 105 0.470 -4.083 4.788 1.00 0.00 H new ATOM 0 HA THR A 105 -1.390 -1.988 4.257 1.00 0.00 H new ATOM 0 HB THR A 105 -0.488 -3.517 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.672 -2.345 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.563 -5.729 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.647 -5.640 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.422 -5.506 3.770 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.329 -4.439 6.173 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.434 -4.882 6.967 1.00 0.00 C ATOM 1619 C ARG A 106 -3.521 -4.102 8.252 1.00 0.00 C ATOM 1620 O ARG A 106 -4.572 -3.667 8.587 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.419 -6.404 7.193 1.00 0.00 C ATOM 1622 CG ARG A 106 -2.253 -6.933 8.012 1.00 0.00 C ATOM 1623 CD ARG A 106 -2.603 -7.121 9.485 1.00 0.00 C ATOM 1624 NE ARG A 106 -3.694 -8.082 9.675 1.00 0.00 N ATOM 1625 CZ ARG A 106 -4.421 -8.197 10.795 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -4.108 -7.489 11.875 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -5.431 -9.050 10.842 1.00 0.00 N ATOM 0 H ARG A 106 -1.444 -4.920 6.332 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.346 -4.679 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.347 -6.689 7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.411 -6.898 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.926 -7.886 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.413 -6.243 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.721 -7.463 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.888 -6.161 9.915 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.915 -8.707 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.310 -6.853 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.665 -7.581 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.656 -9.620 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.985 -9.138 11.694 1.00 0.00 H new ATOM 1641 N ASP A 107 -2.393 -3.873 8.913 1.00 0.00 N ATOM 1642 CA ASP A 107 -2.363 -3.220 10.235 1.00 0.00 C ATOM 1643 C ASP A 107 -2.459 -1.705 10.156 1.00 0.00 C ATOM 1644 O ASP A 107 -3.305 -1.078 10.806 1.00 0.00 O ATOM 1645 CB ASP A 107 -1.065 -3.623 10.946 1.00 0.00 C ATOM 1646 CG ASP A 107 -0.896 -3.057 12.336 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -1.334 -3.707 13.313 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -0.263 -1.987 12.474 1.00 0.00 O ATOM 0 H ASP A 107 -1.472 -4.130 8.558 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.239 -3.554 10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.024 -4.711 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.220 -3.305 10.335 1.00 0.00 H new ATOM 1653 N ALA A 108 -1.638 -1.118 9.320 1.00 0.00 N ATOM 1654 CA ALA A 108 -1.560 0.322 9.250 1.00 0.00 C ATOM 1655 C ALA A 108 -2.793 0.890 8.589 1.00 0.00 C ATOM 1656 O ALA A 108 -3.421 1.771 9.124 1.00 0.00 O ATOM 1657 CB ALA A 108 -0.321 0.726 8.507 1.00 0.00 C ATOM 0 H ALA A 108 -1.016 -1.612 8.680 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.509 0.724 10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.266 1.813 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.557 0.342 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.353 0.317 7.497 1.00 0.00 H new ATOM 1663 N TYR A 109 -3.208 0.270 7.501 1.00 0.00 N ATOM 1664 CA TYR A 109 -4.381 0.746 6.741 1.00 0.00 C ATOM 1665 C TYR A 109 -5.648 0.472 7.552 1.00 0.00 C ATOM 1666 O TYR A 109 -6.650 1.170 7.442 1.00 0.00 O ATOM 1667 CB TYR A 109 -4.455 0.090 5.345 1.00 0.00 C ATOM 1668 CG TYR A 109 -3.266 0.329 4.424 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -2.253 1.223 4.738 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -3.159 -0.367 3.231 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -1.179 1.410 3.895 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -2.084 -0.184 2.384 1.00 0.00 C ATOM 1673 CZ TYR A 109 -1.098 0.704 2.718 1.00 0.00 C ATOM 1674 OH TYR A 109 -0.020 0.887 1.879 1.00 0.00 O ATOM 0 H TYR A 109 -2.763 -0.562 7.113 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.286 1.819 6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.574 -0.985 5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -5.354 0.451 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.307 1.783 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -3.934 -1.068 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.401 2.111 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.022 -0.740 1.460 1.00 0.00 H new ATOM 0 HH TYR A 109 0.769 1.129 2.408 1.00 0.00 H new ATOM 1684 N ARG A 110 -5.520 -0.566 8.346 1.00 0.00 N ATOM 1685 CA ARG A 110 -6.573 -0.887 9.325 1.00 0.00 C ATOM 1686 C ARG A 110 -6.964 0.343 10.168 1.00 0.00 C ATOM 1687 O ARG A 110 -8.118 0.511 10.529 1.00 0.00 O ATOM 1688 CB ARG A 110 -6.136 -2.064 10.189 1.00 0.00 C ATOM 1689 CG ARG A 110 -6.787 -2.288 11.529 1.00 0.00 C ATOM 1690 CD ARG A 110 -8.319 -2.276 11.499 1.00 0.00 C ATOM 1691 NE ARG A 110 -8.924 -3.112 10.450 1.00 0.00 N ATOM 1692 CZ ARG A 110 -9.510 -4.294 10.625 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.407 -4.937 11.784 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.188 -4.839 9.617 1.00 0.00 N ATOM 0 H ARG A 110 -4.721 -1.200 8.347 1.00 0.00 H new ATOM 0 HA ARG A 110 -7.473 -1.180 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.280 -2.971 9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.064 -1.962 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.451 -3.246 11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.443 -1.518 12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.690 -2.610 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.657 -1.249 11.365 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.891 -2.751 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.875 -4.525 12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.860 -5.842 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.254 -4.351 8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.642 -5.744 9.738 1.00 0.00 H new ATOM 1708 N SER A 111 -6.038 1.237 10.412 1.00 0.00 N ATOM 1709 CA SER A 111 -6.350 2.387 11.233 1.00 0.00 C ATOM 1710 C SER A 111 -7.262 3.441 10.521 1.00 0.00 C ATOM 1711 O SER A 111 -7.865 4.283 11.196 1.00 0.00 O ATOM 1712 CB SER A 111 -5.054 3.027 11.726 1.00 0.00 C ATOM 1713 OG SER A 111 -4.222 2.067 12.370 1.00 0.00 O ATOM 0 H SER A 111 -5.080 1.196 10.064 1.00 0.00 H new ATOM 0 HA SER A 111 -6.933 2.026 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.520 3.470 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.285 3.836 12.419 1.00 0.00 H new ATOM 0 HG SER A 111 -3.398 2.501 12.675 1.00 0.00 H new ATOM 1719 N TRP A 112 -7.394 3.401 9.175 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.130 4.484 8.468 1.00 0.00 C ATOM 1721 C TRP A 112 -8.938 4.001 7.241 1.00 0.00 C ATOM 1722 O TRP A 112 -10.072 4.429 7.037 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.156 5.618 8.075 1.00 0.00 C ATOM 1724 CG TRP A 112 -5.714 5.251 8.337 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -4.976 4.327 7.660 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -4.867 5.746 9.376 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -3.740 4.232 8.192 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -3.639 5.077 9.246 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -5.018 6.686 10.401 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -2.574 5.299 10.093 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -3.951 6.910 11.250 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -2.745 6.220 11.093 1.00 0.00 C ATOM 0 H TRP A 112 -7.020 2.666 8.575 1.00 0.00 H new ATOM 0 HA TRP A 112 -8.871 4.861 9.173 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.283 5.853 7.018 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -7.407 6.519 8.634 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -5.330 3.752 6.817 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -2.998 3.620 7.854 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.946 7.224 10.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -1.641 4.768 9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -4.050 7.630 12.049 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -1.931 6.417 11.775 1.00 0.00 H new ATOM 1743 N THR A 113 -8.374 3.080 6.474 1.00 0.00 N ATOM 1744 CA THR A 113 -9.099 2.611 5.287 1.00 0.00 C ATOM 1745 C THR A 113 -10.258 1.672 5.617 1.00 0.00 C ATOM 1746 O THR A 113 -11.346 1.818 5.057 1.00 0.00 O ATOM 1747 CB THR A 113 -8.167 2.037 4.168 1.00 0.00 C ATOM 1748 OG1 THR A 113 -8.854 2.048 2.909 1.00 0.00 O ATOM 1749 CG2 THR A 113 -7.742 0.604 4.451 1.00 0.00 C ATOM 0 H THR A 113 -7.461 2.655 6.634 1.00 0.00 H new ATOM 0 HA THR A 113 -9.548 3.510 4.866 1.00 0.00 H new ATOM 0 HB THR A 113 -7.280 2.670 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.221 1.842 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.097 0.250 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.199 0.565 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.625 -0.032 4.514 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.048 0.758 6.541 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.058 -0.215 6.920 1.00 0.00 C ATOM 1759 C ASN A 114 -10.802 -0.642 8.338 1.00 0.00 C ATOM 1760 O ASN A 114 -10.195 -1.707 8.552 1.00 0.00 O ATOM 1761 CB ASN A 114 -11.043 -1.452 6.007 1.00 0.00 C ATOM 1762 CG ASN A 114 -12.253 -1.566 5.090 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -12.703 -2.670 4.785 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -12.760 -0.452 4.611 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.177 0.115 9.253 1.00 0.00 O ATOM 0 H ASN A 114 -9.171 0.666 7.053 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.037 0.254 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.140 -1.428 5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.986 -2.347 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.550 -0.487 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.364 0.447 4.884 1.00 0.00 H new TER 1772 ASN A 114