USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN :FLIP amide:sc= -0.219 F(o=-1.3,f=-0.35) USER MOD Set 1.2: A 69 HIS :FLIP no HE2:sc= -0.13 F(o=-1,f=-0.35) USER MOD Set 2.1: A 61 GLN :FLIP amide:sc= 0.673 F(o=-0.59,f=1.5) USER MOD Set 2.2: A 63 TYR OH : rot -125:sc= 0.79 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.867 K(o=-0.63,f=-6.3!) USER MOD Set 3.2: A 43 THR OG1 : rot -64:sc= 0.236 USER MOD Set 4.1: A 16 SER OG : rot -70:sc= -0.0244 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 13 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.2!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 130:sc=7.47e-05 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.59) USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= 0.00764 (180deg=-0.0291) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -112:sc= -10! (180deg=-17.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -2.63 X(o=-2.6,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot -40:sc= -2.19 USER MOD Single : A 58 MET CE :methyl 156:sc= -0.404 (180deg=-1.35) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= -4.17! (180deg=-7.34!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.599 F(o=-1.2,f=-0.6) USER MOD Single : A 72 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 73 CYS SG : rot -132:sc= -3.3! USER MOD Single : A 74 SER OG : rot 180:sc= 0.056 USER MOD Single : A 75 ASN : amide:sc= -0.322 K(o=-0.32,f=-7.1!) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.49 F(o=-2.2,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -6.05! C(o=-6.7!,f=-6!) USER MOD Single : A 96 TYR OH : rot 118:sc= 1.24 USER MOD Single : A 98 MET CE :methyl -104:sc= -8.54! (180deg=-14.7!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -2.67! F(o=-3.3,f=-2.7!) USER MOD Single : A 105 SER OG : rot 180:sc= -1.78 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 46:sc= 0.358 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.0946 X(o=-0.095,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 16.893 7.500 -11.393 1.00 1.00 N ATOM 2 CA ASN A 13 16.924 8.409 -10.217 1.00 1.00 C ATOM 3 C ASN A 13 17.263 9.838 -10.631 1.00 1.00 C ATOM 4 O ASN A 13 16.824 10.798 -9.999 1.00 1.00 O ATOM 5 CB ASN A 13 17.961 7.885 -9.220 1.00 1.00 C ATOM 6 CG ASN A 13 19.370 7.910 -9.781 1.00 1.00 C ATOM 7 OD1 ASN A 13 19.566 7.985 -10.994 1.00 1.00 O ATOM 8 ND2 ASN A 13 20.360 7.845 -8.898 1.00 1.00 N ATOM 0 HA ASN A 13 15.937 8.428 -9.755 1.00 1.00 H new ATOM 0 HB2 ASN A 13 17.924 8.487 -8.312 1.00 1.00 H new ATOM 0 HB3 ASN A 13 17.704 6.864 -8.936 1.00 1.00 H new ATOM 0 HD21 ASN A 13 21.329 7.856 -9.216 1.00 1.00 H new ATOM 0 HD22 ASN A 13 20.151 7.784 -7.901 1.00 1.00 H new ATOM 17 N HIS A 14 18.047 9.970 -11.696 1.00 1.00 N ATOM 18 CA HIS A 14 18.445 11.282 -12.193 1.00 1.00 C ATOM 19 C HIS A 14 17.640 11.660 -13.433 1.00 1.00 C ATOM 20 O HIS A 14 17.998 11.293 -14.552 1.00 1.00 O ATOM 21 CB HIS A 14 19.939 11.293 -12.521 1.00 1.00 C ATOM 22 CG HIS A 14 20.570 12.645 -12.392 1.00 1.00 C ATOM 23 ND1 HIS A 14 20.083 13.767 -13.030 1.00 1.00 N ATOM 24 CD2 HIS A 14 21.656 13.054 -11.693 1.00 1.00 C ATOM 25 CE1 HIS A 14 20.842 14.806 -12.730 1.00 1.00 C ATOM 26 NE2 HIS A 14 21.802 14.400 -11.921 1.00 1.00 N ATOM 0 H HIS A 14 18.419 9.185 -12.231 1.00 1.00 H new ATOM 0 HA HIS A 14 18.244 12.016 -11.412 1.00 1.00 H new ATOM 0 HB2 HIS A 14 20.453 10.596 -11.859 1.00 1.00 H new ATOM 0 HB3 HIS A 14 20.082 10.930 -13.539 1.00 1.00 H new ATOM 0 HD2 HIS A 14 22.289 12.437 -11.072 1.00 1.00 H new ATOM 0 HE1 HIS A 14 20.701 15.816 -13.086 1.00 1.00 H new ATOM 0 HE2 HIS A 14 22.535 14.991 -11.528 1.00 1.00 H new ATOM 35 N ILE A 15 16.551 12.396 -13.229 1.00 1.00 N ATOM 36 CA ILE A 15 15.699 12.822 -14.332 1.00 1.00 C ATOM 37 C ILE A 15 15.795 14.327 -14.552 1.00 1.00 C ATOM 38 O ILE A 15 16.293 14.784 -15.581 1.00 1.00 O ATOM 39 CB ILE A 15 14.226 12.444 -14.084 1.00 1.00 C ATOM 40 CG1 ILE A 15 14.116 10.978 -13.661 1.00 1.00 C ATOM 41 CG2 ILE A 15 13.394 12.706 -15.330 1.00 1.00 C ATOM 42 CD1 ILE A 15 14.171 10.775 -12.163 1.00 1.00 C ATOM 0 H ILE A 15 16.239 12.709 -12.310 1.00 1.00 H new ATOM 0 HA ILE A 15 16.054 12.304 -15.223 1.00 1.00 H new ATOM 0 HB ILE A 15 13.839 13.065 -13.276 1.00 1.00 H new ATOM 0 HG12 ILE A 15 13.180 10.568 -14.041 1.00 1.00 H new ATOM 0 HG13 ILE A 15 14.924 10.413 -14.126 1.00 1.00 H new ATOM 0 HG21 ILE A 15 12.356 12.434 -15.138 1.00 1.00 H new ATOM 0 HG22 ILE A 15 13.450 13.763 -15.589 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.779 12.109 -16.157 1.00 1.00 H new ATOM 0 HD11 ILE A 15 14.087 9.712 -11.937 1.00 1.00 H new ATOM 0 HD12 ILE A 15 15.118 11.154 -11.779 1.00 1.00 H new ATOM 0 HD13 ILE A 15 13.347 11.312 -11.693 1.00 1.00 H new ATOM 54 N SER A 16 15.315 15.094 -13.578 1.00 1.00 N ATOM 55 CA SER A 16 15.347 16.549 -13.665 1.00 1.00 C ATOM 56 C SER A 16 14.895 17.183 -12.353 1.00 1.00 C ATOM 57 O SER A 16 15.710 17.697 -11.587 1.00 1.00 O ATOM 58 CB SER A 16 14.458 17.032 -14.812 1.00 1.00 C ATOM 59 OG SER A 16 14.296 18.439 -14.774 1.00 1.00 O ATOM 0 H SER A 16 14.899 14.732 -12.720 1.00 1.00 H new ATOM 0 HA SER A 16 16.375 16.854 -13.859 1.00 1.00 H new ATOM 0 HB2 SER A 16 14.898 16.739 -15.765 1.00 1.00 H new ATOM 0 HB3 SER A 16 13.483 16.549 -14.749 1.00 1.00 H new ATOM 0 HG SER A 16 13.733 18.683 -14.010 1.00 1.00 H new ATOM 65 N THR A 17 13.591 17.141 -12.100 1.00 1.00 N ATOM 66 CA THR A 17 13.030 17.711 -10.880 1.00 1.00 C ATOM 67 C THR A 17 11.603 17.220 -10.656 1.00 1.00 C ATOM 68 O THR A 17 11.300 16.609 -9.631 1.00 1.00 O ATOM 69 CB THR A 17 13.052 19.238 -10.950 1.00 1.00 C ATOM 70 OG1 THR A 17 12.951 19.681 -12.291 1.00 1.00 O ATOM 71 CG2 THR A 17 14.305 19.846 -10.359 1.00 1.00 C ATOM 0 H THR A 17 12.903 16.718 -12.723 1.00 1.00 H new ATOM 0 HA THR A 17 13.643 17.384 -10.040 1.00 1.00 H new ATOM 0 HB THR A 17 12.195 19.566 -10.361 1.00 1.00 H new ATOM 0 HG1 THR A 17 12.965 20.661 -12.314 1.00 1.00 H new ATOM 0 HG21 THR A 17 14.256 20.932 -10.441 1.00 1.00 H new ATOM 0 HG22 THR A 17 14.386 19.565 -9.309 1.00 1.00 H new ATOM 0 HG23 THR A 17 15.177 19.480 -10.901 1.00 1.00 H new ATOM 79 N SER A 18 10.731 17.492 -11.621 1.00 1.00 N ATOM 80 CA SER A 18 9.336 17.078 -11.528 1.00 1.00 C ATOM 81 C SER A 18 9.067 15.868 -12.417 1.00 1.00 C ATOM 82 O SER A 18 8.949 15.994 -13.636 1.00 1.00 O ATOM 83 CB SER A 18 8.412 18.231 -11.925 1.00 1.00 C ATOM 84 OG SER A 18 7.107 18.040 -11.407 1.00 1.00 O ATOM 0 H SER A 18 10.965 17.997 -12.476 1.00 1.00 H new ATOM 0 HA SER A 18 9.135 16.799 -10.494 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.820 19.172 -11.555 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.368 18.308 -13.011 1.00 1.00 H new ATOM 0 HG SER A 18 6.536 18.791 -11.673 1.00 1.00 H new ATOM 90 N ASP A 19 8.972 14.696 -11.798 1.00 1.00 N ATOM 91 CA ASP A 19 8.717 13.461 -12.534 1.00 1.00 C ATOM 92 C ASP A 19 8.134 12.387 -11.622 1.00 1.00 C ATOM 93 O ASP A 19 8.299 11.193 -11.869 1.00 1.00 O ATOM 94 CB ASP A 19 10.004 12.942 -13.177 1.00 1.00 C ATOM 95 CG ASP A 19 11.237 13.228 -12.340 1.00 1.00 C ATOM 96 OD1 ASP A 19 11.472 12.493 -11.358 1.00 1.00 O ATOM 97 OD2 ASP A 19 11.967 14.188 -12.666 1.00 1.00 O ATOM 0 H ASP A 19 9.067 14.574 -10.790 1.00 1.00 H new ATOM 0 HA ASP A 19 7.991 13.688 -13.315 1.00 1.00 H new ATOM 0 HB2 ASP A 19 9.918 11.867 -13.334 1.00 1.00 H new ATOM 0 HB3 ASP A 19 10.124 13.399 -14.159 1.00 1.00 H new ATOM 102 N GLN A 20 7.453 12.819 -10.569 1.00 1.00 N ATOM 103 CA GLN A 20 6.845 11.899 -9.620 1.00 1.00 C ATOM 104 C GLN A 20 5.326 11.879 -9.786 1.00 1.00 C ATOM 105 O GLN A 20 4.695 12.924 -9.942 1.00 1.00 O ATOM 106 CB GLN A 20 7.224 12.299 -8.189 1.00 1.00 C ATOM 107 CG GLN A 20 6.301 11.734 -7.122 1.00 1.00 C ATOM 108 CD GLN A 20 6.753 12.079 -5.717 1.00 1.00 C ATOM 109 OE1 GLN A 20 6.102 12.855 -5.016 1.00 1.00 O ATOM 110 NE2 GLN A 20 7.873 11.504 -5.297 1.00 1.00 N ATOM 0 H GLN A 20 7.308 13.805 -10.351 1.00 1.00 H new ATOM 0 HA GLN A 20 7.220 10.895 -9.817 1.00 1.00 H new ATOM 0 HB2 GLN A 20 8.242 11.965 -7.987 1.00 1.00 H new ATOM 0 HB3 GLN A 20 7.224 13.386 -8.115 1.00 1.00 H new ATOM 0 HG2 GLN A 20 5.293 12.117 -7.279 1.00 1.00 H new ATOM 0 HG3 GLN A 20 6.251 10.650 -7.227 1.00 1.00 H new ATOM 0 HE21 GLN A 20 8.381 10.867 -5.911 1.00 1.00 H new ATOM 0 HE22 GLN A 20 8.226 11.699 -4.360 1.00 1.00 H new ATOM 119 N GLU A 21 4.748 10.683 -9.752 1.00 1.00 N ATOM 120 CA GLU A 21 3.306 10.526 -9.898 1.00 1.00 C ATOM 121 C GLU A 21 2.587 10.849 -8.593 1.00 1.00 C ATOM 122 O GLU A 21 3.134 10.652 -7.507 1.00 1.00 O ATOM 123 CB GLU A 21 2.969 9.101 -10.341 1.00 1.00 C ATOM 124 CG GLU A 21 3.178 8.861 -11.827 1.00 1.00 C ATOM 125 CD GLU A 21 2.177 7.881 -12.407 1.00 1.00 C ATOM 126 OE1 GLU A 21 1.585 7.106 -11.627 1.00 1.00 O ATOM 127 OE2 GLU A 21 1.984 7.889 -13.641 1.00 1.00 O ATOM 0 H GLU A 21 5.257 9.808 -9.625 1.00 1.00 H new ATOM 0 HA GLU A 21 2.966 11.226 -10.661 1.00 1.00 H new ATOM 0 HB2 GLU A 21 3.584 8.399 -9.778 1.00 1.00 H new ATOM 0 HB3 GLU A 21 1.930 8.887 -10.089 1.00 1.00 H new ATOM 0 HG2 GLU A 21 3.102 9.810 -12.358 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.187 8.484 -11.992 1.00 1.00 H new ATOM 134 N LYS A 22 1.358 11.345 -8.705 1.00 1.00 N ATOM 135 CA LYS A 22 0.563 11.694 -7.531 1.00 1.00 C ATOM 136 C LYS A 22 0.469 10.515 -6.567 1.00 1.00 C ATOM 137 O LYS A 22 0.026 9.429 -6.942 1.00 1.00 O ATOM 138 CB LYS A 22 -0.842 12.143 -7.942 1.00 1.00 C ATOM 139 CG LYS A 22 -1.433 11.339 -9.089 1.00 1.00 C ATOM 140 CD LYS A 22 -1.269 12.065 -10.413 1.00 1.00 C ATOM 141 CE LYS A 22 -1.090 11.091 -11.566 1.00 1.00 C ATOM 142 NZ LYS A 22 -2.395 10.671 -12.147 1.00 1.00 N ATOM 0 H LYS A 22 0.891 11.514 -9.596 1.00 1.00 H new ATOM 0 HA LYS A 22 1.063 12.520 -7.025 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.504 12.068 -7.079 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -0.808 13.194 -8.227 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -0.946 10.365 -9.143 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.491 11.156 -8.901 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -2.143 12.690 -10.596 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.407 12.730 -10.360 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.480 11.555 -12.341 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.548 10.212 -11.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.229 10.007 -12.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.968 10.205 -11.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.901 11.507 -12.503 1.00 1.00 H new ATOM 156 N LEU A 23 0.891 10.735 -5.327 1.00 1.00 N ATOM 157 CA LEU A 23 0.856 9.687 -4.313 1.00 1.00 C ATOM 158 C LEU A 23 -0.223 9.970 -3.267 1.00 1.00 C ATOM 159 O LEU A 23 -0.452 11.120 -2.891 1.00 1.00 O ATOM 160 CB LEU A 23 2.238 9.529 -3.658 1.00 1.00 C ATOM 161 CG LEU A 23 2.584 10.524 -2.550 1.00 1.00 C ATOM 162 CD1 LEU A 23 3.988 10.258 -2.028 1.00 1.00 C ATOM 163 CD2 LEU A 23 2.473 11.950 -3.055 1.00 1.00 C ATOM 0 H LEU A 23 1.261 11.628 -5.000 1.00 1.00 H new ATOM 0 HA LEU A 23 0.601 8.746 -4.800 1.00 1.00 H new ATOM 0 HB2 LEU A 23 2.308 8.522 -3.247 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.996 9.608 -4.437 1.00 1.00 H new ATOM 0 HG LEU A 23 1.873 10.393 -1.735 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.224 10.972 -1.239 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.042 9.245 -1.629 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.705 10.366 -2.842 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.723 12.641 -2.250 1.00 1.00 H new ATOM 0 HD22 LEU A 23 3.162 12.096 -3.887 1.00 1.00 H new ATOM 0 HD23 LEU A 23 1.453 12.139 -3.391 1.00 1.00 H new ATOM 175 N VAL A 24 -0.893 8.912 -2.814 1.00 1.00 N ATOM 176 CA VAL A 24 -1.958 9.041 -1.826 1.00 1.00 C ATOM 177 C VAL A 24 -1.458 8.701 -0.428 1.00 1.00 C ATOM 178 O VAL A 24 -0.362 8.170 -0.264 1.00 1.00 O ATOM 179 CB VAL A 24 -3.148 8.127 -2.168 1.00 1.00 C ATOM 180 CG1 VAL A 24 -3.859 8.619 -3.419 1.00 1.00 C ATOM 181 CG2 VAL A 24 -2.680 6.690 -2.342 1.00 1.00 C ATOM 0 H VAL A 24 -0.715 7.955 -3.117 1.00 1.00 H new ATOM 0 HA VAL A 24 -2.285 10.080 -1.847 1.00 1.00 H new ATOM 0 HB VAL A 24 -3.858 8.158 -1.341 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -4.697 7.960 -3.644 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -4.228 9.631 -3.254 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -3.162 8.619 -4.257 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -3.533 6.056 -2.583 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.951 6.640 -3.150 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -2.220 6.343 -1.417 1.00 1.00 H new ATOM 191 N GLN A 25 -2.263 9.019 0.580 1.00 1.00 N ATOM 192 CA GLN A 25 -1.889 8.757 1.964 1.00 1.00 C ATOM 193 C GLN A 25 -2.691 7.598 2.557 1.00 1.00 C ATOM 194 O GLN A 25 -3.881 7.738 2.835 1.00 1.00 O ATOM 195 CB GLN A 25 -2.100 10.017 2.806 1.00 1.00 C ATOM 196 CG GLN A 25 -1.717 9.846 4.266 1.00 1.00 C ATOM 197 CD GLN A 25 -0.380 10.481 4.596 1.00 1.00 C ATOM 198 OE1 GLN A 25 0.585 10.351 3.844 1.00 1.00 O ATOM 199 NE2 GLN A 25 -0.318 11.174 5.728 1.00 1.00 N ATOM 0 H GLN A 25 -3.177 9.458 0.465 1.00 1.00 H new ATOM 0 HA GLN A 25 -0.836 8.476 1.977 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -1.515 10.831 2.379 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -3.148 10.312 2.746 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -2.490 10.288 4.895 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -1.680 8.783 4.506 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -1.143 11.256 6.322 1.00 1.00 H new ATOM 0 HE22 GLN A 25 0.555 11.624 6.003 1.00 1.00 H new ATOM 208 N PRO A 26 -2.048 6.435 2.768 1.00 1.00 N ATOM 209 CA PRO A 26 -2.709 5.260 3.347 1.00 1.00 C ATOM 210 C PRO A 26 -3.148 5.511 4.784 1.00 1.00 C ATOM 211 O PRO A 26 -2.529 6.297 5.500 1.00 1.00 O ATOM 212 CB PRO A 26 -1.624 4.174 3.318 1.00 1.00 C ATOM 213 CG PRO A 26 -0.597 4.673 2.360 1.00 1.00 C ATOM 214 CD PRO A 26 -0.632 6.168 2.471 1.00 1.00 C ATOM 0 HA PRO A 26 -3.611 4.992 2.797 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -1.196 4.018 4.308 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -2.033 3.217 2.994 1.00 1.00 H new ATOM 0 HG2 PRO A 26 0.391 4.285 2.608 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -0.820 4.350 1.343 1.00 1.00 H new ATOM 0 HD2 PRO A 26 0.024 6.531 3.262 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -0.314 6.651 1.547 1.00 1.00 H new ATOM 222 N THR A 27 -4.208 4.833 5.209 1.00 1.00 N ATOM 223 CA THR A 27 -4.703 4.985 6.571 1.00 1.00 C ATOM 224 C THR A 27 -3.608 4.620 7.570 1.00 1.00 C ATOM 225 O THR A 27 -2.755 3.780 7.283 1.00 1.00 O ATOM 226 CB THR A 27 -5.932 4.102 6.794 1.00 1.00 C ATOM 227 OG1 THR A 27 -5.629 2.744 6.532 1.00 1.00 O ATOM 228 CG2 THR A 27 -7.110 4.486 5.925 1.00 1.00 C ATOM 0 H THR A 27 -4.738 4.177 4.634 1.00 1.00 H new ATOM 0 HA THR A 27 -4.990 6.026 6.723 1.00 1.00 H new ATOM 0 HB THR A 27 -6.208 4.250 7.838 1.00 1.00 H new ATOM 0 HG1 THR A 27 -5.929 2.191 7.283 1.00 1.00 H new ATOM 0 HG21 THR A 27 -7.948 3.820 6.133 1.00 1.00 H new ATOM 0 HG22 THR A 27 -7.401 5.514 6.140 1.00 1.00 H new ATOM 0 HG23 THR A 27 -6.831 4.400 4.875 1.00 1.00 H new ATOM 236 N PRO A 28 -3.609 5.248 8.759 1.00 1.00 N ATOM 237 CA PRO A 28 -2.605 4.978 9.790 1.00 1.00 C ATOM 238 C PRO A 28 -2.343 3.486 9.966 1.00 1.00 C ATOM 239 O PRO A 28 -1.239 3.076 10.323 1.00 1.00 O ATOM 240 CB PRO A 28 -3.234 5.572 11.048 1.00 1.00 C ATOM 241 CG PRO A 28 -4.085 6.689 10.548 1.00 1.00 C ATOM 242 CD PRO A 28 -4.586 6.266 9.190 1.00 1.00 C ATOM 0 HA PRO A 28 -1.632 5.403 9.543 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -3.827 4.830 11.583 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -2.473 5.932 11.740 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -4.916 6.878 11.227 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -3.512 7.614 10.480 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -5.594 5.856 9.245 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -4.621 7.106 8.497 1.00 1.00 H new ATOM 250 N LEU A 29 -3.365 2.678 9.702 1.00 1.00 N ATOM 251 CA LEU A 29 -3.242 1.231 9.819 1.00 1.00 C ATOM 252 C LEU A 29 -2.435 0.674 8.650 1.00 1.00 C ATOM 253 O LEU A 29 -1.370 0.083 8.841 1.00 1.00 O ATOM 254 CB LEU A 29 -4.628 0.582 9.866 1.00 1.00 C ATOM 255 CG LEU A 29 -4.635 -0.949 9.842 1.00 1.00 C ATOM 256 CD1 LEU A 29 -3.624 -1.509 10.832 1.00 1.00 C ATOM 257 CD2 LEU A 29 -6.029 -1.475 10.148 1.00 1.00 C ATOM 0 H LEU A 29 -4.286 3.001 9.406 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.718 0.999 10.746 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -5.137 0.917 10.769 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -5.210 0.945 9.019 1.00 1.00 H new ATOM 0 HG LEU A 29 -4.350 -1.278 8.843 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.646 -2.598 10.798 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -2.626 -1.158 10.570 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -3.875 -1.172 11.838 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.019 -2.565 10.128 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -6.338 -1.133 11.136 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -6.730 -1.104 9.400 1.00 1.00 H new ATOM 269 N LEU A 30 -2.937 0.884 7.435 1.00 1.00 N ATOM 270 CA LEU A 30 -2.248 0.420 6.236 1.00 1.00 C ATOM 271 C LEU A 30 -0.833 0.985 6.202 1.00 1.00 C ATOM 272 O LEU A 30 0.118 0.300 5.824 1.00 1.00 O ATOM 273 CB LEU A 30 -3.015 0.844 4.981 1.00 1.00 C ATOM 274 CG LEU A 30 -2.465 0.291 3.665 1.00 1.00 C ATOM 275 CD1 LEU A 30 -2.318 -1.221 3.739 1.00 1.00 C ATOM 276 CD2 LEU A 30 -3.368 0.684 2.505 1.00 1.00 C ATOM 0 H LEU A 30 -3.815 1.371 7.256 1.00 1.00 H new ATOM 0 HA LEU A 30 -2.197 -0.669 6.259 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -4.053 0.527 5.084 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -3.018 1.933 4.926 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.478 0.722 3.496 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -1.926 -1.595 2.793 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -1.632 -1.481 4.545 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.291 -1.672 3.932 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.963 0.283 1.576 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -4.367 0.281 2.669 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -3.422 1.771 2.438 1.00 1.00 H new ATOM 288 N LEU A 31 -0.708 2.243 6.617 1.00 1.00 N ATOM 289 CA LEU A 31 0.581 2.926 6.659 1.00 1.00 C ATOM 290 C LEU A 31 1.649 2.043 7.303 1.00 1.00 C ATOM 291 O LEU A 31 2.635 1.677 6.664 1.00 1.00 O ATOM 292 CB LEU A 31 0.452 4.237 7.443 1.00 1.00 C ATOM 293 CG LEU A 31 0.679 5.511 6.628 1.00 1.00 C ATOM 294 CD1 LEU A 31 0.688 6.730 7.538 1.00 1.00 C ATOM 295 CD2 LEU A 31 1.980 5.417 5.848 1.00 1.00 C ATOM 0 H LEU A 31 -1.492 2.814 6.932 1.00 1.00 H new ATOM 0 HA LEU A 31 0.885 3.142 5.635 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -0.544 4.281 7.885 1.00 1.00 H new ATOM 0 HB3 LEU A 31 1.166 4.220 8.267 1.00 1.00 H new ATOM 0 HG LEU A 31 -0.141 5.619 5.918 1.00 1.00 H new ATOM 0 HD11 LEU A 31 0.851 7.628 6.942 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -0.269 6.806 8.054 1.00 1.00 H new ATOM 0 HD13 LEU A 31 1.489 6.631 8.271 1.00 1.00 H new ATOM 0 HD21 LEU A 31 2.127 6.332 5.273 1.00 1.00 H new ATOM 0 HD22 LEU A 31 2.811 5.287 6.541 1.00 1.00 H new ATOM 0 HD23 LEU A 31 1.937 4.565 5.169 1.00 1.00 H new ATOM 307 N SER A 32 1.441 1.704 8.574 1.00 1.00 N ATOM 308 CA SER A 32 2.382 0.864 9.312 1.00 1.00 C ATOM 309 C SER A 32 2.774 -0.364 8.497 1.00 1.00 C ATOM 310 O SER A 32 3.949 -0.726 8.434 1.00 1.00 O ATOM 311 CB SER A 32 1.775 0.433 10.648 1.00 1.00 C ATOM 312 OG SER A 32 2.785 0.133 11.595 1.00 1.00 O ATOM 0 H SER A 32 0.628 1.999 9.115 1.00 1.00 H new ATOM 0 HA SER A 32 3.280 1.451 9.502 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.136 1.227 11.033 1.00 1.00 H new ATOM 0 HB3 SER A 32 1.142 -0.441 10.498 1.00 1.00 H new ATOM 0 HG SER A 32 2.370 -0.138 12.441 1.00 1.00 H new ATOM 318 N LEU A 33 1.790 -0.999 7.863 1.00 1.00 N ATOM 319 CA LEU A 33 2.062 -2.177 7.045 1.00 1.00 C ATOM 320 C LEU A 33 3.134 -1.851 6.012 1.00 1.00 C ATOM 321 O LEU A 33 4.037 -2.650 5.763 1.00 1.00 O ATOM 322 CB LEU A 33 0.789 -2.671 6.353 1.00 1.00 C ATOM 323 CG LEU A 33 -0.492 -2.566 7.186 1.00 1.00 C ATOM 324 CD1 LEU A 33 -1.639 -3.283 6.491 1.00 1.00 C ATOM 325 CD2 LEU A 33 -0.273 -3.137 8.581 1.00 1.00 C ATOM 0 H LEU A 33 0.809 -0.721 7.899 1.00 1.00 H new ATOM 0 HA LEU A 33 2.421 -2.974 7.695 1.00 1.00 H new ATOM 0 HB2 LEU A 33 0.652 -2.103 5.433 1.00 1.00 H new ATOM 0 HB3 LEU A 33 0.932 -3.713 6.066 1.00 1.00 H new ATOM 0 HG LEU A 33 -0.752 -1.512 7.284 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.541 -3.198 7.097 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -1.813 -2.830 5.515 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -1.386 -4.335 6.362 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -1.194 -3.053 9.157 1.00 1.00 H new ATOM 0 HD22 LEU A 33 0.013 -4.186 8.504 1.00 1.00 H new ATOM 0 HD23 LEU A 33 0.520 -2.581 9.081 1.00 1.00 H new ATOM 337 N LEU A 34 3.044 -0.654 5.441 1.00 1.00 N ATOM 338 CA LEU A 34 4.024 -0.199 4.465 1.00 1.00 C ATOM 339 C LEU A 34 5.323 0.129 5.183 1.00 1.00 C ATOM 340 O LEU A 34 6.412 -0.213 4.725 1.00 1.00 O ATOM 341 CB LEU A 34 3.508 1.037 3.718 1.00 1.00 C ATOM 342 CG LEU A 34 2.098 0.902 3.144 1.00 1.00 C ATOM 343 CD1 LEU A 34 1.665 2.198 2.479 1.00 1.00 C ATOM 344 CD2 LEU A 34 2.040 -0.252 2.154 1.00 1.00 C ATOM 0 H LEU A 34 2.302 0.017 5.638 1.00 1.00 H new ATOM 0 HA LEU A 34 4.197 -0.989 3.734 1.00 1.00 H new ATOM 0 HB2 LEU A 34 3.527 1.889 4.398 1.00 1.00 H new ATOM 0 HB3 LEU A 34 4.196 1.264 2.903 1.00 1.00 H new ATOM 0 HG LEU A 34 1.409 0.692 3.963 1.00 1.00 H new ATOM 0 HD11 LEU A 34 0.659 2.082 2.077 1.00 1.00 H new ATOM 0 HD12 LEU A 34 1.671 3.004 3.213 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.354 2.439 1.670 1.00 1.00 H new ATOM 0 HD21 LEU A 34 1.030 -0.337 1.753 1.00 1.00 H new ATOM 0 HD22 LEU A 34 2.740 -0.068 1.339 1.00 1.00 H new ATOM 0 HD23 LEU A 34 2.308 -1.179 2.660 1.00 1.00 H new ATOM 356 N LYS A 35 5.184 0.785 6.330 1.00 1.00 N ATOM 357 CA LYS A 35 6.326 1.164 7.151 1.00 1.00 C ATOM 358 C LYS A 35 7.222 -0.041 7.423 1.00 1.00 C ATOM 359 O LYS A 35 8.446 0.044 7.315 1.00 1.00 O ATOM 360 CB LYS A 35 5.835 1.763 8.471 1.00 1.00 C ATOM 361 CG LYS A 35 5.075 3.070 8.306 1.00 1.00 C ATOM 362 CD LYS A 35 5.875 4.088 7.510 1.00 1.00 C ATOM 363 CE LYS A 35 5.387 5.504 7.771 1.00 1.00 C ATOM 364 NZ LYS A 35 5.918 6.048 9.051 1.00 1.00 N ATOM 0 H LYS A 35 4.282 1.067 6.714 1.00 1.00 H new ATOM 0 HA LYS A 35 6.911 1.909 6.611 1.00 1.00 H new ATOM 0 HB2 LYS A 35 5.191 1.039 8.970 1.00 1.00 H new ATOM 0 HB3 LYS A 35 6.691 1.931 9.124 1.00 1.00 H new ATOM 0 HG2 LYS A 35 4.127 2.879 7.804 1.00 1.00 H new ATOM 0 HG3 LYS A 35 4.838 3.480 9.288 1.00 1.00 H new ATOM 0 HD2 LYS A 35 6.930 4.011 7.774 1.00 1.00 H new ATOM 0 HD3 LYS A 35 5.795 3.864 6.446 1.00 1.00 H new ATOM 0 HE2 LYS A 35 5.692 6.150 6.948 1.00 1.00 H new ATOM 0 HE3 LYS A 35 4.297 5.513 7.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 5.562 7.015 9.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 5.606 5.446 9.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 6.957 6.063 9.017 1.00 1.00 H new ATOM 378 N SER A 36 6.601 -1.162 7.772 1.00 1.00 N ATOM 379 CA SER A 36 7.335 -2.389 8.057 1.00 1.00 C ATOM 380 C SER A 36 7.657 -3.147 6.769 1.00 1.00 C ATOM 381 O SER A 36 8.556 -3.988 6.743 1.00 1.00 O ATOM 382 CB SER A 36 6.528 -3.283 9.002 1.00 1.00 C ATOM 383 OG SER A 36 7.111 -3.318 10.293 1.00 1.00 O ATOM 0 H SER A 36 5.589 -1.246 7.864 1.00 1.00 H new ATOM 0 HA SER A 36 8.274 -2.116 8.539 1.00 1.00 H new ATOM 0 HB2 SER A 36 5.505 -2.914 9.072 1.00 1.00 H new ATOM 0 HB3 SER A 36 6.476 -4.293 8.596 1.00 1.00 H new ATOM 0 HG SER A 36 6.576 -3.894 10.878 1.00 1.00 H new ATOM 389 N ALA A 37 6.919 -2.846 5.703 1.00 1.00 N ATOM 390 CA ALA A 37 7.130 -3.502 4.417 1.00 1.00 C ATOM 391 C ALA A 37 8.278 -2.859 3.638 1.00 1.00 C ATOM 392 O ALA A 37 8.560 -3.247 2.505 1.00 1.00 O ATOM 393 CB ALA A 37 5.850 -3.469 3.594 1.00 1.00 C ATOM 0 H ALA A 37 6.171 -2.153 5.705 1.00 1.00 H new ATOM 0 HA ALA A 37 7.403 -4.539 4.613 1.00 1.00 H new ATOM 0 HB1 ALA A 37 6.020 -3.962 2.637 1.00 1.00 H new ATOM 0 HB2 ALA A 37 5.057 -3.988 4.133 1.00 1.00 H new ATOM 0 HB3 ALA A 37 5.555 -2.434 3.422 1.00 1.00 H new ATOM 399 N GLY A 38 8.937 -1.874 4.246 1.00 1.00 N ATOM 400 CA GLY A 38 10.040 -1.202 3.583 1.00 1.00 C ATOM 401 C GLY A 38 9.728 0.248 3.258 1.00 1.00 C ATOM 402 O GLY A 38 10.607 0.998 2.832 1.00 1.00 O ATOM 0 H GLY A 38 8.726 -1.531 5.183 1.00 1.00 H new ATOM 0 HA2 GLY A 38 10.923 -1.246 4.220 1.00 1.00 H new ATOM 0 HA3 GLY A 38 10.284 -1.733 2.663 1.00 1.00 H new ATOM 406 N ALA A 39 8.475 0.642 3.461 1.00 1.00 N ATOM 407 CA ALA A 39 8.048 2.007 3.190 1.00 1.00 C ATOM 408 C ALA A 39 8.536 2.955 4.292 1.00 1.00 C ATOM 409 O ALA A 39 8.649 2.552 5.449 1.00 1.00 O ATOM 410 CB ALA A 39 6.532 2.060 3.063 1.00 1.00 C ATOM 0 H ALA A 39 7.737 0.032 3.813 1.00 1.00 H new ATOM 0 HA ALA A 39 8.489 2.333 2.248 1.00 1.00 H new ATOM 0 HB1 ALA A 39 6.219 3.084 2.860 1.00 1.00 H new ATOM 0 HB2 ALA A 39 6.213 1.414 2.245 1.00 1.00 H new ATOM 0 HB3 ALA A 39 6.077 1.719 3.993 1.00 1.00 H new ATOM 416 N GLN A 40 8.836 4.211 3.942 1.00 1.00 N ATOM 417 CA GLN A 40 9.317 5.176 4.927 1.00 1.00 C ATOM 418 C GLN A 40 8.346 6.344 5.080 1.00 1.00 C ATOM 419 O GLN A 40 7.738 6.523 6.135 1.00 1.00 O ATOM 420 CB GLN A 40 10.701 5.695 4.528 1.00 1.00 C ATOM 421 CG GLN A 40 11.839 5.046 5.299 1.00 1.00 C ATOM 422 CD GLN A 40 12.500 3.921 4.526 1.00 1.00 C ATOM 423 OE1 GLN A 40 12.741 4.036 3.324 1.00 1.00 O ATOM 424 NE2 GLN A 40 12.795 2.824 5.214 1.00 1.00 N ATOM 0 H GLN A 40 8.754 4.577 2.993 1.00 1.00 H new ATOM 0 HA GLN A 40 9.388 4.666 5.888 1.00 1.00 H new ATOM 0 HB2 GLN A 40 10.851 5.523 3.462 1.00 1.00 H new ATOM 0 HB3 GLN A 40 10.735 6.773 4.685 1.00 1.00 H new ATOM 0 HG2 GLN A 40 12.585 5.802 5.543 1.00 1.00 H new ATOM 0 HG3 GLN A 40 11.458 4.658 6.244 1.00 1.00 H new ATOM 0 HE21 GLN A 40 12.577 2.772 6.209 1.00 1.00 H new ATOM 0 HE22 GLN A 40 13.239 2.033 4.747 1.00 1.00 H new ATOM 433 N LYS A 41 8.210 7.141 4.023 1.00 1.00 N ATOM 434 CA LYS A 41 7.318 8.298 4.041 1.00 1.00 C ATOM 435 C LYS A 41 5.915 7.910 4.503 1.00 1.00 C ATOM 436 O LYS A 41 5.650 6.748 4.807 1.00 1.00 O ATOM 437 CB LYS A 41 7.254 8.942 2.655 1.00 1.00 C ATOM 438 CG LYS A 41 6.987 7.950 1.534 1.00 1.00 C ATOM 439 CD LYS A 41 8.243 7.665 0.726 1.00 1.00 C ATOM 440 CE LYS A 41 7.911 7.044 -0.623 1.00 1.00 C ATOM 441 NZ LYS A 41 8.495 5.681 -0.764 1.00 1.00 N ATOM 0 H LYS A 41 8.707 7.007 3.142 1.00 1.00 H new ATOM 0 HA LYS A 41 7.722 9.019 4.752 1.00 1.00 H new ATOM 0 HB2 LYS A 41 6.471 9.700 2.652 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.195 9.455 2.458 1.00 1.00 H new ATOM 0 HG2 LYS A 41 6.605 7.019 1.954 1.00 1.00 H new ATOM 0 HG3 LYS A 41 6.212 8.344 0.876 1.00 1.00 H new ATOM 0 HD2 LYS A 41 8.797 8.591 0.574 1.00 1.00 H new ATOM 0 HD3 LYS A 41 8.893 6.993 1.287 1.00 1.00 H new ATOM 0 HE2 LYS A 41 6.829 6.990 -0.742 1.00 1.00 H new ATOM 0 HE3 LYS A 41 8.287 7.685 -1.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 8.565 5.436 -1.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 9.443 5.664 -0.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 7.885 4.990 -0.281 1.00 1.00 H new ATOM 455 N GLU A 42 5.021 8.893 4.559 1.00 1.00 N ATOM 456 CA GLU A 42 3.647 8.654 4.990 1.00 1.00 C ATOM 457 C GLU A 42 2.712 8.489 3.794 1.00 1.00 C ATOM 458 O GLU A 42 1.678 7.829 3.890 1.00 1.00 O ATOM 459 CB GLU A 42 3.162 9.806 5.873 1.00 1.00 C ATOM 460 CG GLU A 42 3.300 11.172 5.221 1.00 1.00 C ATOM 461 CD GLU A 42 4.599 11.862 5.585 1.00 1.00 C ATOM 462 OE1 GLU A 42 5.647 11.182 5.607 1.00 1.00 O ATOM 463 OE2 GLU A 42 4.570 13.082 5.849 1.00 1.00 O ATOM 0 H GLU A 42 5.223 9.862 4.312 1.00 1.00 H new ATOM 0 HA GLU A 42 3.633 7.728 5.565 1.00 1.00 H new ATOM 0 HB2 GLU A 42 2.116 9.640 6.131 1.00 1.00 H new ATOM 0 HB3 GLU A 42 3.725 9.799 6.806 1.00 1.00 H new ATOM 0 HG2 GLU A 42 3.243 11.061 4.138 1.00 1.00 H new ATOM 0 HG3 GLU A 42 2.462 11.801 5.522 1.00 1.00 H new ATOM 470 N THR A 43 3.079 9.095 2.670 1.00 1.00 N ATOM 471 CA THR A 43 2.270 9.015 1.458 1.00 1.00 C ATOM 472 C THR A 43 2.914 8.084 0.434 1.00 1.00 C ATOM 473 O THR A 43 4.133 7.918 0.415 1.00 1.00 O ATOM 474 CB THR A 43 2.092 10.408 0.850 1.00 1.00 C ATOM 475 OG1 THR A 43 2.477 11.413 1.771 1.00 1.00 O ATOM 476 CG2 THR A 43 0.673 10.704 0.418 1.00 1.00 C ATOM 0 H THR A 43 3.931 9.647 2.572 1.00 1.00 H new ATOM 0 HA THR A 43 1.294 8.612 1.728 1.00 1.00 H new ATOM 0 HB THR A 43 2.730 10.414 -0.034 1.00 1.00 H new ATOM 0 HG1 THR A 43 1.879 11.392 2.547 1.00 1.00 H new ATOM 0 HG21 THR A 43 0.623 11.708 -0.003 1.00 1.00 H new ATOM 0 HG22 THR A 43 0.363 9.979 -0.335 1.00 1.00 H new ATOM 0 HG23 THR A 43 0.009 10.639 1.280 1.00 1.00 H new ATOM 484 N PHE A 44 2.091 7.483 -0.419 1.00 1.00 N ATOM 485 CA PHE A 44 2.589 6.576 -1.447 1.00 1.00 C ATOM 486 C PHE A 44 1.603 6.444 -2.599 1.00 1.00 C ATOM 487 O PHE A 44 0.389 6.448 -2.398 1.00 1.00 O ATOM 488 CB PHE A 44 2.837 5.177 -0.876 1.00 1.00 C ATOM 489 CG PHE A 44 3.678 5.136 0.365 1.00 1.00 C ATOM 490 CD1 PHE A 44 3.113 5.360 1.609 1.00 1.00 C ATOM 491 CD2 PHE A 44 5.029 4.841 0.288 1.00 1.00 C ATOM 492 CE1 PHE A 44 3.881 5.293 2.755 1.00 1.00 C ATOM 493 CE2 PHE A 44 5.802 4.778 1.431 1.00 1.00 C ATOM 494 CZ PHE A 44 5.228 5.003 2.666 1.00 1.00 C ATOM 0 H PHE A 44 1.079 7.607 -0.419 1.00 1.00 H new ATOM 0 HA PHE A 44 3.524 7.004 -1.810 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.874 4.714 -0.659 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.318 4.569 -1.642 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.060 5.590 1.684 1.00 1.00 H new ATOM 0 HD2 PHE A 44 5.482 4.658 -0.675 1.00 1.00 H new ATOM 0 HE1 PHE A 44 3.428 5.467 3.720 1.00 1.00 H new ATOM 0 HE2 PHE A 44 6.856 4.553 1.358 1.00 1.00 H new ATOM 0 HZ PHE A 44 5.831 4.952 3.561 1.00 1.00 H new ATOM 504 N THR A 45 2.139 6.291 -3.804 1.00 1.00 N ATOM 505 CA THR A 45 1.312 6.115 -4.987 1.00 1.00 C ATOM 506 C THR A 45 0.802 4.681 -5.025 1.00 1.00 C ATOM 507 O THR A 45 1.430 3.781 -4.468 1.00 1.00 O ATOM 508 CB THR A 45 2.107 6.426 -6.257 1.00 1.00 C ATOM 509 OG1 THR A 45 3.137 5.473 -6.449 1.00 1.00 O ATOM 510 CG2 THR A 45 2.748 7.798 -6.244 1.00 1.00 C ATOM 0 H THR A 45 3.143 6.286 -3.986 1.00 1.00 H new ATOM 0 HA THR A 45 0.470 6.805 -4.941 1.00 1.00 H new ATOM 0 HB THR A 45 1.379 6.392 -7.068 1.00 1.00 H new ATOM 0 HG1 THR A 45 3.633 5.688 -7.267 1.00 1.00 H new ATOM 0 HG21 THR A 45 3.296 7.953 -7.174 1.00 1.00 H new ATOM 0 HG22 THR A 45 1.975 8.560 -6.147 1.00 1.00 H new ATOM 0 HG23 THR A 45 3.436 7.870 -5.402 1.00 1.00 H new ATOM 518 N MET A 46 -0.345 4.473 -5.659 1.00 1.00 N ATOM 519 CA MET A 46 -0.946 3.144 -5.741 1.00 1.00 C ATOM 520 C MET A 46 0.096 2.060 -6.011 1.00 1.00 C ATOM 521 O MET A 46 0.097 1.019 -5.357 1.00 1.00 O ATOM 522 CB MET A 46 -2.028 3.118 -6.817 1.00 1.00 C ATOM 523 CG MET A 46 -3.432 3.054 -6.244 1.00 1.00 C ATOM 524 SD MET A 46 -4.539 2.035 -7.234 1.00 1.00 S ATOM 525 CE MET A 46 -4.275 0.430 -6.484 1.00 1.00 C ATOM 0 H MET A 46 -0.879 5.206 -6.125 1.00 1.00 H new ATOM 0 HA MET A 46 -1.397 2.929 -4.772 1.00 1.00 H new ATOM 0 HB2 MET A 46 -1.936 4.008 -7.439 1.00 1.00 H new ATOM 0 HB3 MET A 46 -1.867 2.257 -7.466 1.00 1.00 H new ATOM 0 HG2 MET A 46 -3.389 2.657 -5.230 1.00 1.00 H new ATOM 0 HG3 MET A 46 -3.838 4.063 -6.174 1.00 1.00 H new ATOM 0 HE1 MET A 46 -3.766 -0.223 -7.192 1.00 1.00 H new ATOM 0 HE2 MET A 46 -3.663 0.543 -5.589 1.00 1.00 H new ATOM 0 HE3 MET A 46 -5.236 -0.008 -6.213 1.00 1.00 H new ATOM 535 N LYS A 47 0.983 2.307 -6.969 1.00 1.00 N ATOM 536 CA LYS A 47 2.024 1.341 -7.305 1.00 1.00 C ATOM 537 C LYS A 47 2.856 0.988 -6.075 1.00 1.00 C ATOM 538 O LYS A 47 2.998 -0.184 -5.730 1.00 1.00 O ATOM 539 CB LYS A 47 2.926 1.892 -8.413 1.00 1.00 C ATOM 540 CG LYS A 47 3.131 0.926 -9.569 1.00 1.00 C ATOM 541 CD LYS A 47 1.831 0.665 -10.313 1.00 1.00 C ATOM 542 CE LYS A 47 1.390 1.883 -11.109 1.00 1.00 C ATOM 543 NZ LYS A 47 0.043 1.693 -11.715 1.00 1.00 N ATOM 0 H LYS A 47 1.003 3.163 -7.524 1.00 1.00 H new ATOM 0 HA LYS A 47 1.540 0.433 -7.664 1.00 1.00 H new ATOM 0 HB2 LYS A 47 2.494 2.817 -8.796 1.00 1.00 H new ATOM 0 HB3 LYS A 47 3.896 2.146 -7.987 1.00 1.00 H new ATOM 0 HG2 LYS A 47 3.871 1.333 -10.258 1.00 1.00 H new ATOM 0 HG3 LYS A 47 3.531 -0.015 -9.192 1.00 1.00 H new ATOM 0 HD2 LYS A 47 1.959 -0.183 -10.985 1.00 1.00 H new ATOM 0 HD3 LYS A 47 1.052 0.393 -9.601 1.00 1.00 H new ATOM 0 HE2 LYS A 47 1.375 2.757 -10.457 1.00 1.00 H new ATOM 0 HE3 LYS A 47 2.117 2.085 -11.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -0.221 2.546 -12.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 0.063 0.875 -12.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -0.656 1.526 -10.963 1.00 1.00 H new ATOM 557 N GLU A 48 3.394 2.007 -5.410 1.00 1.00 N ATOM 558 CA GLU A 48 4.199 1.787 -4.214 1.00 1.00 C ATOM 559 C GLU A 48 3.352 1.149 -3.121 1.00 1.00 C ATOM 560 O GLU A 48 3.782 0.204 -2.460 1.00 1.00 O ATOM 561 CB GLU A 48 4.797 3.101 -3.710 1.00 1.00 C ATOM 562 CG GLU A 48 5.560 3.875 -4.774 1.00 1.00 C ATOM 563 CD GLU A 48 7.063 3.732 -4.631 1.00 1.00 C ATOM 564 OE1 GLU A 48 7.512 2.706 -4.080 1.00 1.00 O ATOM 565 OE2 GLU A 48 7.790 4.648 -5.070 1.00 1.00 O ATOM 0 H GLU A 48 3.288 2.986 -5.677 1.00 1.00 H new ATOM 0 HA GLU A 48 5.016 1.113 -4.473 1.00 1.00 H new ATOM 0 HB2 GLU A 48 3.995 3.729 -3.322 1.00 1.00 H new ATOM 0 HB3 GLU A 48 5.467 2.889 -2.877 1.00 1.00 H new ATOM 0 HG2 GLU A 48 5.257 3.524 -5.761 1.00 1.00 H new ATOM 0 HG3 GLU A 48 5.291 4.930 -4.714 1.00 1.00 H new ATOM 572 N VAL A 49 2.136 1.662 -2.947 1.00 1.00 N ATOM 573 CA VAL A 49 1.222 1.128 -1.944 1.00 1.00 C ATOM 574 C VAL A 49 0.996 -0.358 -2.186 1.00 1.00 C ATOM 575 O VAL A 49 1.223 -1.189 -1.307 1.00 1.00 O ATOM 576 CB VAL A 49 -0.143 1.846 -1.967 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.925 1.537 -0.699 1.00 1.00 C ATOM 578 CG2 VAL A 49 0.031 3.350 -2.146 1.00 1.00 C ATOM 0 H VAL A 49 1.763 2.444 -3.486 1.00 1.00 H new ATOM 0 HA VAL A 49 1.682 1.291 -0.969 1.00 1.00 H new ATOM 0 HB VAL A 49 -0.710 1.475 -2.821 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.886 2.051 -0.730 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -1.090 0.462 -0.626 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -0.360 1.877 0.169 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -0.947 3.830 -2.159 1.00 1.00 H new ATOM 0 HG22 VAL A 49 0.621 3.749 -1.321 1.00 1.00 H new ATOM 0 HG23 VAL A 49 0.544 3.547 -3.087 1.00 1.00 H new ATOM 588 N LEU A 50 0.559 -0.679 -3.399 1.00 1.00 N ATOM 589 CA LEU A 50 0.309 -2.059 -3.789 1.00 1.00 C ATOM 590 C LEU A 50 1.607 -2.870 -3.799 1.00 1.00 C ATOM 591 O LEU A 50 1.577 -4.100 -3.851 1.00 1.00 O ATOM 592 CB LEU A 50 -0.345 -2.093 -5.174 1.00 1.00 C ATOM 593 CG LEU A 50 -1.724 -2.753 -5.224 1.00 1.00 C ATOM 594 CD1 LEU A 50 -2.423 -2.429 -6.534 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.606 -4.258 -5.040 1.00 1.00 C ATOM 0 H LEU A 50 0.370 0.004 -4.132 1.00 1.00 H new ATOM 0 HA LEU A 50 -0.364 -2.509 -3.059 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.435 -1.071 -5.541 1.00 1.00 H new ATOM 0 HB3 LEU A 50 0.318 -2.621 -5.859 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.324 -2.355 -4.406 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.402 -2.907 -6.552 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -2.544 -1.350 -6.624 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.824 -2.798 -7.367 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.598 -4.708 -5.079 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.987 -4.674 -5.835 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.148 -4.472 -4.074 1.00 1.00 H new ATOM 607 N TYR A 51 2.745 -2.177 -3.758 1.00 1.00 N ATOM 608 CA TYR A 51 4.046 -2.839 -3.772 1.00 1.00 C ATOM 609 C TYR A 51 4.464 -3.293 -2.373 1.00 1.00 C ATOM 610 O TYR A 51 4.744 -4.472 -2.159 1.00 1.00 O ATOM 611 CB TYR A 51 5.111 -1.912 -4.365 1.00 1.00 C ATOM 612 CG TYR A 51 6.419 -2.608 -4.667 1.00 1.00 C ATOM 613 CD1 TYR A 51 7.361 -2.824 -3.669 1.00 1.00 C ATOM 614 CD2 TYR A 51 6.712 -3.050 -5.952 1.00 1.00 C ATOM 615 CE1 TYR A 51 8.557 -3.460 -3.942 1.00 1.00 C ATOM 616 CE2 TYR A 51 7.905 -3.687 -6.232 1.00 1.00 C ATOM 617 CZ TYR A 51 8.824 -3.889 -5.225 1.00 1.00 C ATOM 618 OH TYR A 51 10.014 -4.523 -5.500 1.00 1.00 O ATOM 0 H TYR A 51 2.791 -1.159 -3.715 1.00 1.00 H new ATOM 0 HA TYR A 51 3.956 -3.727 -4.398 1.00 1.00 H new ATOM 0 HB2 TYR A 51 4.725 -1.469 -5.283 1.00 1.00 H new ATOM 0 HB3 TYR A 51 5.297 -1.094 -3.669 1.00 1.00 H new ATOM 0 HD1 TYR A 51 7.155 -2.489 -2.663 1.00 1.00 H new ATOM 0 HD2 TYR A 51 5.995 -2.893 -6.744 1.00 1.00 H new ATOM 0 HE1 TYR A 51 9.279 -3.620 -3.155 1.00 1.00 H new ATOM 0 HE2 TYR A 51 8.117 -4.025 -7.236 1.00 1.00 H new ATOM 0 HH TYR A 51 10.045 -4.762 -6.450 1.00 1.00 H new ATOM 628 N HIS A 52 4.510 -2.361 -1.422 1.00 1.00 N ATOM 629 CA HIS A 52 4.902 -2.698 -0.055 1.00 1.00 C ATOM 630 C HIS A 52 3.853 -3.583 0.605 1.00 1.00 C ATOM 631 O HIS A 52 4.172 -4.407 1.462 1.00 1.00 O ATOM 632 CB HIS A 52 5.112 -1.441 0.796 1.00 1.00 C ATOM 633 CG HIS A 52 5.696 -0.280 0.053 1.00 1.00 C ATOM 634 ND1 HIS A 52 6.969 -0.287 -0.473 1.00 1.00 N ATOM 635 CD2 HIS A 52 5.181 0.939 -0.229 1.00 1.00 C ATOM 636 CE1 HIS A 52 7.213 0.879 -1.044 1.00 1.00 C ATOM 637 NE2 HIS A 52 6.144 1.642 -0.910 1.00 1.00 N ATOM 0 H HIS A 52 4.283 -1.378 -1.570 1.00 1.00 H new ATOM 0 HA HIS A 52 5.846 -3.239 -0.116 1.00 1.00 H new ATOM 0 HB2 HIS A 52 4.154 -1.140 1.220 1.00 1.00 H new ATOM 0 HB3 HIS A 52 5.767 -1.688 1.632 1.00 1.00 H new ATOM 0 HD1 HIS A 52 7.621 -1.070 -0.429 1.00 1.00 H new ATOM 0 HD2 HIS A 52 4.195 1.293 0.033 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.132 1.160 -1.537 1.00 1.00 H new ATOM 646 N LEU A 53 2.599 -3.409 0.202 1.00 1.00 N ATOM 647 CA LEU A 53 1.511 -4.184 0.749 1.00 1.00 C ATOM 648 C LEU A 53 1.662 -5.652 0.367 1.00 1.00 C ATOM 649 O LEU A 53 1.465 -6.544 1.192 1.00 1.00 O ATOM 650 CB LEU A 53 0.186 -3.627 0.243 1.00 1.00 C ATOM 651 CG LEU A 53 -1.034 -4.378 0.736 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.177 -4.221 2.242 1.00 1.00 C ATOM 653 CD2 LEU A 53 -2.287 -3.900 0.019 1.00 1.00 C ATOM 0 H LEU A 53 2.318 -2.731 -0.507 1.00 1.00 H new ATOM 0 HA LEU A 53 1.530 -4.115 1.837 1.00 1.00 H new ATOM 0 HB2 LEU A 53 0.104 -2.584 0.547 1.00 1.00 H new ATOM 0 HB3 LEU A 53 0.191 -3.642 -0.847 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.903 -5.437 0.512 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -2.058 -4.766 2.583 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -0.290 -4.620 2.735 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -1.286 -3.165 2.489 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -3.151 -4.453 0.388 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -2.430 -2.836 0.206 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -2.180 -4.069 -1.053 1.00 1.00 H new ATOM 665 N GLY A 54 2.038 -5.897 -0.885 1.00 1.00 N ATOM 666 CA GLY A 54 2.236 -7.259 -1.338 1.00 1.00 C ATOM 667 C GLY A 54 3.368 -7.923 -0.587 1.00 1.00 C ATOM 668 O GLY A 54 3.293 -9.103 -0.240 1.00 1.00 O ATOM 0 H GLY A 54 2.208 -5.179 -1.590 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.318 -7.830 -1.197 1.00 1.00 H new ATOM 0 HA3 GLY A 54 2.453 -7.262 -2.406 1.00 1.00 H new ATOM 672 N GLN A 55 4.415 -7.148 -0.316 1.00 1.00 N ATOM 673 CA GLN A 55 5.567 -7.647 0.421 1.00 1.00 C ATOM 674 C GLN A 55 5.209 -7.825 1.893 1.00 1.00 C ATOM 675 O GLN A 55 5.775 -8.671 2.585 1.00 1.00 O ATOM 676 CB GLN A 55 6.748 -6.685 0.281 1.00 1.00 C ATOM 677 CG GLN A 55 7.260 -6.552 -1.144 1.00 1.00 C ATOM 678 CD GLN A 55 8.625 -5.896 -1.212 1.00 1.00 C ATOM 679 OE1 GLN A 55 9.580 -6.475 -1.730 1.00 1.00 O ATOM 680 NE2 GLN A 55 8.724 -4.680 -0.688 1.00 1.00 N ATOM 0 H GLN A 55 4.487 -6.170 -0.597 1.00 1.00 H new ATOM 0 HA GLN A 55 5.854 -8.613 0.006 1.00 1.00 H new ATOM 0 HB2 GLN A 55 6.450 -5.702 0.644 1.00 1.00 H new ATOM 0 HB3 GLN A 55 7.562 -7.027 0.920 1.00 1.00 H new ATOM 0 HG2 GLN A 55 7.312 -7.540 -1.601 1.00 1.00 H new ATOM 0 HG3 GLN A 55 6.550 -5.967 -1.729 1.00 1.00 H new ATOM 0 HE21 GLN A 55 7.906 -4.237 -0.269 1.00 1.00 H new ATOM 0 HE22 GLN A 55 9.618 -4.189 -0.705 1.00 1.00 H new ATOM 689 N TYR A 56 4.254 -7.025 2.361 1.00 1.00 N ATOM 690 CA TYR A 56 3.807 -7.096 3.745 1.00 1.00 C ATOM 691 C TYR A 56 3.224 -8.476 4.041 1.00 1.00 C ATOM 692 O TYR A 56 3.350 -8.992 5.151 1.00 1.00 O ATOM 693 CB TYR A 56 2.760 -6.010 4.020 1.00 1.00 C ATOM 694 CG TYR A 56 2.086 -6.138 5.369 1.00 1.00 C ATOM 695 CD1 TYR A 56 0.949 -6.920 5.523 1.00 1.00 C ATOM 696 CD2 TYR A 56 2.590 -5.484 6.486 1.00 1.00 C ATOM 697 CE1 TYR A 56 0.331 -7.045 6.752 1.00 1.00 C ATOM 698 CE2 TYR A 56 1.979 -5.607 7.720 1.00 1.00 C ATOM 699 CZ TYR A 56 0.850 -6.388 7.847 1.00 1.00 C ATOM 700 OH TYR A 56 0.239 -6.513 9.073 1.00 1.00 O ATOM 0 H TYR A 56 3.776 -6.320 1.800 1.00 1.00 H new ATOM 0 HA TYR A 56 4.664 -6.930 4.398 1.00 1.00 H new ATOM 0 HB2 TYR A 56 3.238 -5.033 3.955 1.00 1.00 H new ATOM 0 HB3 TYR A 56 2.000 -6.046 3.240 1.00 1.00 H new ATOM 0 HD1 TYR A 56 0.541 -7.439 4.668 1.00 1.00 H new ATOM 0 HD2 TYR A 56 3.473 -4.870 6.389 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -0.555 -7.655 6.854 1.00 1.00 H new ATOM 0 HE2 TYR A 56 2.384 -5.094 8.580 1.00 1.00 H new ATOM 0 HH TYR A 56 -0.734 -6.496 8.957 1.00 1.00 H new ATOM 710 N ILE A 57 2.585 -9.065 3.035 1.00 1.00 N ATOM 711 CA ILE A 57 1.979 -10.383 3.179 1.00 1.00 C ATOM 712 C ILE A 57 3.039 -11.481 3.219 1.00 1.00 C ATOM 713 O ILE A 57 3.073 -12.287 4.149 1.00 1.00 O ATOM 714 CB ILE A 57 0.996 -10.676 2.030 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.009 -9.519 1.867 1.00 1.00 C ATOM 716 CG2 ILE A 57 0.252 -11.980 2.283 1.00 1.00 C ATOM 717 CD1 ILE A 57 -0.899 -9.664 0.665 1.00 1.00 C ATOM 0 H ILE A 57 2.474 -8.649 2.110 1.00 1.00 H new ATOM 0 HA ILE A 57 1.435 -10.377 4.123 1.00 1.00 H new ATOM 0 HB ILE A 57 1.565 -10.779 1.106 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -0.602 -9.444 2.767 1.00 1.00 H new ATOM 0 HG13 ILE A 57 0.566 -8.586 1.781 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -0.438 -12.171 1.461 1.00 1.00 H new ATOM 0 HG22 ILE A 57 0.967 -12.799 2.354 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -0.307 -11.905 3.216 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -1.572 -8.808 0.612 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -0.297 -9.709 -0.243 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -1.483 -10.580 0.759 1.00 1.00 H new ATOM 729 N MET A 58 3.898 -11.513 2.205 1.00 1.00 N ATOM 730 CA MET A 58 4.951 -12.521 2.130 1.00 1.00 C ATOM 731 C MET A 58 5.845 -12.475 3.368 1.00 1.00 C ATOM 732 O MET A 58 6.237 -13.515 3.898 1.00 1.00 O ATOM 733 CB MET A 58 5.792 -12.327 0.865 1.00 1.00 C ATOM 734 CG MET A 58 6.652 -11.074 0.888 1.00 1.00 C ATOM 735 SD MET A 58 7.567 -10.830 -0.647 1.00 1.00 S ATOM 736 CE MET A 58 6.235 -10.863 -1.843 1.00 1.00 C ATOM 0 H MET A 58 3.886 -10.855 1.426 1.00 1.00 H new ATOM 0 HA MET A 58 4.474 -13.500 2.089 1.00 1.00 H new ATOM 0 HB2 MET A 58 6.436 -13.196 0.731 1.00 1.00 H new ATOM 0 HB3 MET A 58 5.128 -12.285 0.001 1.00 1.00 H new ATOM 0 HG2 MET A 58 6.018 -10.206 1.070 1.00 1.00 H new ATOM 0 HG3 MET A 58 7.354 -11.136 1.719 1.00 1.00 H new ATOM 0 HE1 MET A 58 6.538 -10.323 -2.740 1.00 1.00 H new ATOM 0 HE2 MET A 58 6.004 -11.896 -2.102 1.00 1.00 H new ATOM 0 HE3 MET A 58 5.351 -10.389 -1.416 1.00 1.00 H new ATOM 746 N ALA A 59 6.163 -11.268 3.825 1.00 1.00 N ATOM 747 CA ALA A 59 7.009 -11.100 5.001 1.00 1.00 C ATOM 748 C ALA A 59 6.337 -11.679 6.241 1.00 1.00 C ATOM 749 O ALA A 59 6.875 -12.577 6.888 1.00 1.00 O ATOM 750 CB ALA A 59 7.341 -9.629 5.209 1.00 1.00 C ATOM 0 H ALA A 59 5.849 -10.395 3.401 1.00 1.00 H new ATOM 0 HA ALA A 59 7.938 -11.645 4.835 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.973 -9.520 6.090 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.869 -9.248 4.335 1.00 1.00 H new ATOM 0 HB3 ALA A 59 6.419 -9.065 5.351 1.00 1.00 H new ATOM 756 N LYS A 60 5.154 -11.164 6.563 1.00 1.00 N ATOM 757 CA LYS A 60 4.405 -11.635 7.719 1.00 1.00 C ATOM 758 C LYS A 60 3.978 -13.090 7.534 1.00 1.00 C ATOM 759 O LYS A 60 3.737 -13.805 8.506 1.00 1.00 O ATOM 760 CB LYS A 60 3.176 -10.753 7.936 1.00 1.00 C ATOM 761 CG LYS A 60 3.405 -9.588 8.889 1.00 1.00 C ATOM 762 CD LYS A 60 4.663 -8.799 8.550 1.00 1.00 C ATOM 763 CE LYS A 60 4.367 -7.669 7.577 1.00 1.00 C ATOM 764 NZ LYS A 60 5.452 -7.502 6.572 1.00 1.00 N ATOM 0 H LYS A 60 4.695 -10.420 6.038 1.00 1.00 H new ATOM 0 HA LYS A 60 5.050 -11.576 8.596 1.00 1.00 H new ATOM 0 HB2 LYS A 60 2.849 -10.361 6.973 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.364 -11.369 8.322 1.00 1.00 H new ATOM 0 HG2 LYS A 60 2.543 -8.922 8.858 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.480 -9.966 9.909 1.00 1.00 H new ATOM 0 HD2 LYS A 60 5.094 -8.390 9.464 1.00 1.00 H new ATOM 0 HD3 LYS A 60 5.407 -9.467 8.117 1.00 1.00 H new ATOM 0 HE2 LYS A 60 3.426 -7.868 7.065 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.238 -6.739 8.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 5.527 -6.499 6.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 6.354 -7.821 6.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 5.234 -8.069 5.728 1.00 1.00 H new ATOM 778 N GLN A 61 3.886 -13.522 6.276 1.00 1.00 N ATOM 779 CA GLN A 61 3.488 -14.890 5.954 1.00 1.00 C ATOM 780 C GLN A 61 2.002 -15.109 6.227 1.00 1.00 C ATOM 781 O GLN A 61 1.627 -15.920 7.074 1.00 1.00 O ATOM 782 CB GLN A 61 4.324 -15.894 6.753 1.00 1.00 C ATOM 783 CG GLN A 61 4.256 -17.312 6.208 1.00 1.00 C ATOM 784 CD GLN A 61 5.607 -17.828 5.751 1.00 1.00 C ATOM 785 OE1 GLN A 61 6.372 -16.973 5.083 1.00 1.00 O flip ATOM 786 NE2 GLN A 61 5.959 -18.982 5.996 1.00 1.00 N flip ATOM 0 H GLN A 61 4.083 -12.941 5.461 1.00 1.00 H new ATOM 0 HA GLN A 61 3.667 -15.049 4.891 1.00 1.00 H new ATOM 0 HB2 GLN A 61 5.363 -15.565 6.759 1.00 1.00 H new ATOM 0 HB3 GLN A 61 3.984 -15.895 7.789 1.00 1.00 H new ATOM 0 HG2 GLN A 61 3.860 -17.974 6.978 1.00 1.00 H new ATOM 0 HG3 GLN A 61 3.558 -17.342 5.371 1.00 1.00 H new ATOM 0 HE21 GLN A 61 5.339 -19.606 6.513 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.871 -19.315 5.682 1.00 1.00 H new ATOM 795 N LEU A 62 1.160 -14.381 5.500 1.00 1.00 N ATOM 796 CA LEU A 62 -0.286 -14.496 5.658 1.00 1.00 C ATOM 797 C LEU A 62 -0.882 -15.458 4.630 1.00 1.00 C ATOM 798 O LEU A 62 -2.059 -15.809 4.708 1.00 1.00 O ATOM 799 CB LEU A 62 -0.946 -13.121 5.522 1.00 1.00 C ATOM 800 CG LEU A 62 -0.318 -12.008 6.365 1.00 1.00 C ATOM 801 CD1 LEU A 62 -1.106 -10.717 6.211 1.00 1.00 C ATOM 802 CD2 LEU A 62 -0.249 -12.415 7.829 1.00 1.00 C ATOM 0 H LEU A 62 1.454 -13.705 4.795 1.00 1.00 H new ATOM 0 HA LEU A 62 -0.481 -14.894 6.654 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -0.914 -12.823 4.474 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -1.997 -13.212 5.795 1.00 1.00 H new ATOM 0 HG LEU A 62 0.698 -11.841 6.008 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -0.647 -9.936 6.817 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -1.105 -10.413 5.164 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.133 -10.876 6.541 1.00 1.00 H new ATOM 0 HD21 LEU A 62 0.201 -11.610 8.410 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -1.255 -12.612 8.200 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.357 -13.316 7.928 1.00 1.00 H new ATOM 814 N TYR A 63 -0.067 -15.879 3.665 1.00 1.00 N ATOM 815 CA TYR A 63 -0.524 -16.795 2.626 1.00 1.00 C ATOM 816 C TYR A 63 -0.547 -18.234 3.134 1.00 1.00 C ATOM 817 O TYR A 63 0.172 -18.586 4.069 1.00 1.00 O ATOM 818 CB TYR A 63 0.377 -16.689 1.395 1.00 1.00 C ATOM 819 CG TYR A 63 1.824 -17.023 1.677 1.00 1.00 C ATOM 820 CD1 TYR A 63 2.241 -18.342 1.809 1.00 1.00 C ATOM 821 CD2 TYR A 63 2.773 -16.018 1.816 1.00 1.00 C ATOM 822 CE1 TYR A 63 3.562 -18.650 2.072 1.00 1.00 C ATOM 823 CE2 TYR A 63 4.097 -16.318 2.078 1.00 1.00 C ATOM 824 CZ TYR A 63 4.485 -17.635 2.206 1.00 1.00 C ATOM 825 OH TYR A 63 5.802 -17.937 2.467 1.00 1.00 O ATOM 0 H TYR A 63 0.911 -15.600 3.582 1.00 1.00 H new ATOM 0 HA TYR A 63 -1.541 -16.514 2.351 1.00 1.00 H new ATOM 0 HB2 TYR A 63 0.002 -17.359 0.621 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.317 -15.676 0.997 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.520 -19.140 1.704 1.00 1.00 H new ATOM 0 HD2 TYR A 63 2.472 -14.986 1.718 1.00 1.00 H new ATOM 0 HE1 TYR A 63 3.870 -19.680 2.172 1.00 1.00 H new ATOM 0 HE2 TYR A 63 4.823 -15.525 2.182 1.00 1.00 H new ATOM 0 HH TYR A 63 6.094 -17.459 3.271 1.00 1.00 H new ATOM 835 N ASP A 64 -1.381 -19.061 2.510 1.00 1.00 N ATOM 836 CA ASP A 64 -1.504 -20.464 2.894 1.00 1.00 C ATOM 837 C ASP A 64 -0.584 -21.343 2.057 1.00 1.00 C ATOM 838 O ASP A 64 -0.380 -21.088 0.870 1.00 1.00 O ATOM 839 CB ASP A 64 -2.948 -20.939 2.720 1.00 1.00 C ATOM 840 CG ASP A 64 -3.257 -22.168 3.552 1.00 1.00 C ATOM 841 OD1 ASP A 64 -2.309 -22.899 3.907 1.00 1.00 O ATOM 842 OD2 ASP A 64 -4.448 -22.400 3.849 1.00 1.00 O ATOM 0 H ASP A 64 -1.983 -18.783 1.735 1.00 1.00 H new ATOM 0 HA ASP A 64 -1.215 -20.547 3.942 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -3.628 -20.134 2.999 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -3.130 -21.160 1.668 1.00 1.00 H new ATOM 847 N GLU A 65 -0.045 -22.390 2.674 1.00 1.00 N ATOM 848 CA GLU A 65 0.833 -23.314 1.967 1.00 1.00 C ATOM 849 C GLU A 65 0.099 -23.902 0.769 1.00 1.00 C ATOM 850 O GLU A 65 0.591 -23.858 -0.359 1.00 1.00 O ATOM 851 CB GLU A 65 1.302 -24.430 2.902 1.00 1.00 C ATOM 852 CG GLU A 65 2.573 -24.092 3.663 1.00 1.00 C ATOM 853 CD GLU A 65 2.820 -25.028 4.830 1.00 1.00 C ATOM 854 OE1 GLU A 65 3.350 -26.135 4.601 1.00 1.00 O ATOM 855 OE2 GLU A 65 2.482 -24.654 5.972 1.00 1.00 O ATOM 0 H GLU A 65 -0.200 -22.618 3.656 1.00 1.00 H new ATOM 0 HA GLU A 65 1.711 -22.770 1.617 1.00 1.00 H new ATOM 0 HB2 GLU A 65 0.509 -24.652 3.616 1.00 1.00 H new ATOM 0 HB3 GLU A 65 1.468 -25.336 2.319 1.00 1.00 H new ATOM 0 HG2 GLU A 65 3.423 -24.135 2.981 1.00 1.00 H new ATOM 0 HG3 GLU A 65 2.511 -23.068 4.030 1.00 1.00 H new ATOM 862 N LYS A 66 -1.093 -24.439 1.025 1.00 1.00 N ATOM 863 CA LYS A 66 -1.917 -25.023 -0.034 1.00 1.00 C ATOM 864 C LYS A 66 -1.976 -24.095 -1.242 1.00 1.00 C ATOM 865 O LYS A 66 -1.275 -24.303 -2.232 1.00 1.00 O ATOM 866 CB LYS A 66 -3.337 -25.316 0.466 1.00 1.00 C ATOM 867 CG LYS A 66 -3.815 -24.380 1.560 1.00 1.00 C ATOM 868 CD LYS A 66 -5.329 -24.240 1.555 1.00 1.00 C ATOM 869 CE LYS A 66 -5.766 -22.921 0.940 1.00 1.00 C ATOM 870 NZ LYS A 66 -7.244 -22.848 0.772 1.00 1.00 N ATOM 0 H LYS A 66 -1.510 -24.482 1.955 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.454 -25.964 -0.330 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -4.027 -25.255 -0.376 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -3.376 -26.340 0.837 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -3.487 -24.755 2.529 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -3.358 -23.400 1.426 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -5.770 -25.066 0.997 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -5.705 -24.309 2.576 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.432 -22.098 1.571 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.284 -22.795 -0.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -7.501 -21.933 0.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -7.561 -23.618 0.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -7.704 -22.942 1.700 1.00 1.00 H new ATOM 884 N GLN A 67 -2.804 -23.061 -1.146 1.00 1.00 N ATOM 885 CA GLN A 67 -2.939 -22.094 -2.223 1.00 1.00 C ATOM 886 C GLN A 67 -2.051 -20.883 -1.958 1.00 1.00 C ATOM 887 O GLN A 67 -2.168 -20.233 -0.919 1.00 1.00 O ATOM 888 CB GLN A 67 -4.396 -21.647 -2.364 1.00 1.00 C ATOM 889 CG GLN A 67 -5.351 -22.753 -2.795 1.00 1.00 C ATOM 890 CD GLN A 67 -4.751 -23.686 -3.831 1.00 1.00 C ATOM 891 OE1 GLN A 67 -4.110 -24.752 -3.367 1.00 1.00 O flip ATOM 892 NE2 GLN A 67 -4.864 -23.450 -5.034 1.00 1.00 N flip ATOM 0 H GLN A 67 -3.391 -22.873 -0.333 1.00 1.00 H new ATOM 0 HA GLN A 67 -2.626 -22.570 -3.152 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -4.734 -21.242 -1.410 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -4.446 -20.836 -3.090 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -5.645 -23.332 -1.920 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -6.258 -22.304 -3.200 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -5.365 -22.618 -5.346 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -4.456 -24.086 -5.719 1.00 1.00 H new ATOM 901 N GLN A 68 -1.164 -20.586 -2.899 1.00 1.00 N ATOM 902 CA GLN A 68 -0.258 -19.453 -2.757 1.00 1.00 C ATOM 903 C GLN A 68 -0.982 -18.135 -3.022 1.00 1.00 C ATOM 904 O GLN A 68 -0.513 -17.069 -2.623 1.00 1.00 O ATOM 905 CB GLN A 68 0.930 -19.601 -3.709 1.00 1.00 C ATOM 906 CG GLN A 68 2.074 -20.414 -3.126 1.00 1.00 C ATOM 907 CD GLN A 68 1.866 -21.907 -3.280 1.00 1.00 C ATOM 908 OE1 GLN A 68 1.979 -22.637 -2.176 1.00 1.00 O flip ATOM 909 NE2 GLN A 68 1.607 -22.400 -4.378 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.052 -21.112 -3.766 1.00 1.00 H new ATOM 0 HA GLN A 68 0.109 -19.440 -1.731 1.00 1.00 H new ATOM 0 HB2 GLN A 68 0.591 -20.074 -4.630 1.00 1.00 H new ATOM 0 HB3 GLN A 68 1.298 -18.610 -3.976 1.00 1.00 H new ATOM 0 HG2 GLN A 68 3.005 -20.128 -3.616 1.00 1.00 H new ATOM 0 HG3 GLN A 68 2.184 -20.173 -2.069 1.00 1.00 H new ATOM 0 HE21 GLN A 68 1.529 -21.801 -5.200 1.00 1.00 H new ATOM 0 HE22 GLN A 68 1.470 -23.407 -4.465 1.00 1.00 H new ATOM 918 N HIS A 69 -2.128 -18.213 -3.695 1.00 1.00 N ATOM 919 CA HIS A 69 -2.911 -17.024 -4.006 1.00 1.00 C ATOM 920 C HIS A 69 -3.990 -16.779 -2.950 1.00 1.00 C ATOM 921 O HIS A 69 -4.899 -15.974 -3.157 1.00 1.00 O ATOM 922 CB HIS A 69 -3.544 -17.156 -5.395 1.00 1.00 C ATOM 923 CG HIS A 69 -4.689 -18.121 -5.450 1.00 1.00 C ATOM 924 ND1 HIS A 69 -5.981 -17.986 -5.064 1.00 1.00 N flip ATOM 925 CD2 HIS A 69 -4.572 -19.402 -5.946 1.00 1.00 C flip ATOM 926 CE1 HIS A 69 -6.612 -19.175 -5.334 1.00 1.00 C flip ATOM 927 NE2 HIS A 69 -5.741 -20.012 -5.866 1.00 1.00 N flip ATOM 0 H HIS A 69 -2.533 -19.086 -4.034 1.00 1.00 H new ATOM 0 HA HIS A 69 -2.239 -16.166 -4.003 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -3.892 -16.175 -5.720 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -2.779 -17.474 -6.104 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -6.405 -17.156 -4.650 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -3.666 -19.839 -6.339 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -7.653 -19.391 -5.142 1.00 1.00 H new ATOM 936 N ILE A 70 -3.885 -17.472 -1.818 1.00 1.00 N ATOM 937 CA ILE A 70 -4.852 -17.319 -0.738 1.00 1.00 C ATOM 938 C ILE A 70 -4.209 -16.680 0.485 1.00 1.00 C ATOM 939 O ILE A 70 -3.129 -17.082 0.917 1.00 1.00 O ATOM 940 CB ILE A 70 -5.469 -18.671 -0.330 1.00 1.00 C ATOM 941 CG1 ILE A 70 -6.204 -19.295 -1.515 1.00 1.00 C ATOM 942 CG2 ILE A 70 -6.414 -18.498 0.854 1.00 1.00 C ATOM 943 CD1 ILE A 70 -7.371 -18.470 -2.009 1.00 1.00 C ATOM 0 H ILE A 70 -3.141 -18.143 -1.627 1.00 1.00 H new ATOM 0 HA ILE A 70 -5.642 -16.670 -1.115 1.00 1.00 H new ATOM 0 HB ILE A 70 -4.664 -19.340 -0.027 1.00 1.00 H new ATOM 0 HG12 ILE A 70 -5.499 -19.438 -2.334 1.00 1.00 H new ATOM 0 HG13 ILE A 70 -6.564 -20.283 -1.228 1.00 1.00 H new ATOM 0 HG21 ILE A 70 -6.838 -19.465 1.125 1.00 1.00 H new ATOM 0 HG22 ILE A 70 -5.863 -18.092 1.703 1.00 1.00 H new ATOM 0 HG23 ILE A 70 -7.217 -17.813 0.582 1.00 1.00 H new ATOM 0 HD11 ILE A 70 -7.844 -18.976 -2.851 1.00 1.00 H new ATOM 0 HD12 ILE A 70 -8.097 -18.348 -1.205 1.00 1.00 H new ATOM 0 HD13 ILE A 70 -7.015 -17.490 -2.328 1.00 1.00 H new ATOM 955 N VAL A 71 -4.886 -15.685 1.039 1.00 1.00 N ATOM 956 CA VAL A 71 -4.393 -14.985 2.217 1.00 1.00 C ATOM 957 C VAL A 71 -5.446 -14.949 3.319 1.00 1.00 C ATOM 958 O VAL A 71 -6.349 -14.113 3.296 1.00 1.00 O ATOM 959 CB VAL A 71 -3.969 -13.543 1.882 1.00 1.00 C ATOM 960 CG1 VAL A 71 -3.271 -12.903 3.073 1.00 1.00 C ATOM 961 CG2 VAL A 71 -3.073 -13.521 0.651 1.00 1.00 C ATOM 0 H VAL A 71 -5.782 -15.343 0.690 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.522 -15.539 2.568 1.00 1.00 H new ATOM 0 HB VAL A 71 -4.864 -12.962 1.660 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -2.978 -11.884 2.819 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -3.950 -12.883 3.925 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -2.384 -13.482 3.329 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -2.784 -12.494 0.430 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -2.180 -14.117 0.840 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -3.613 -13.937 -0.200 1.00 1.00 H new ATOM 971 N HIS A 72 -5.326 -15.852 4.287 1.00 1.00 N ATOM 972 CA HIS A 72 -6.274 -15.903 5.393 1.00 1.00 C ATOM 973 C HIS A 72 -5.549 -15.866 6.738 1.00 1.00 C ATOM 974 O HIS A 72 -5.051 -16.882 7.223 1.00 1.00 O ATOM 975 CB HIS A 72 -7.155 -17.156 5.288 1.00 1.00 C ATOM 976 CG HIS A 72 -6.452 -18.432 5.640 1.00 1.00 C ATOM 977 ND1 HIS A 72 -5.313 -18.868 4.999 1.00 1.00 N ATOM 978 CD2 HIS A 72 -6.731 -19.365 6.582 1.00 1.00 C ATOM 979 CE1 HIS A 72 -4.922 -20.013 5.529 1.00 1.00 C ATOM 980 NE2 HIS A 72 -5.765 -20.336 6.491 1.00 1.00 N ATOM 0 H HIS A 72 -4.587 -16.554 4.328 1.00 1.00 H new ATOM 0 HA HIS A 72 -6.914 -15.023 5.332 1.00 1.00 H new ATOM 0 HB2 HIS A 72 -8.017 -17.036 5.944 1.00 1.00 H new ATOM 0 HB3 HIS A 72 -7.537 -17.234 4.270 1.00 1.00 H new ATOM 0 HD2 HIS A 72 -7.559 -19.348 7.275 1.00 1.00 H new ATOM 0 HE1 HIS A 72 -4.059 -20.587 5.226 1.00 1.00 H new ATOM 0 HE2 HIS A 72 -5.708 -21.172 7.073 1.00 1.00 H new ATOM 989 N CYS A 73 -5.497 -14.681 7.335 1.00 1.00 N ATOM 990 CA CYS A 73 -4.842 -14.500 8.623 1.00 1.00 C ATOM 991 C CYS A 73 -5.753 -13.743 9.583 1.00 1.00 C ATOM 992 O CYS A 73 -5.907 -12.526 9.476 1.00 1.00 O ATOM 993 CB CYS A 73 -3.518 -13.754 8.446 1.00 1.00 C ATOM 994 SG CYS A 73 -2.087 -14.637 9.114 1.00 1.00 S ATOM 0 H CYS A 73 -5.902 -13.830 6.946 1.00 1.00 H new ATOM 0 HA CYS A 73 -4.634 -15.483 9.046 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -3.355 -13.568 7.384 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -3.592 -12.781 8.932 1.00 1.00 H new ATOM 0 HG CYS A 73 -1.376 -13.825 9.839 1.00 1.00 H new ATOM 1000 N SER A 74 -6.366 -14.467 10.514 1.00 1.00 N ATOM 1001 CA SER A 74 -7.270 -13.851 11.478 1.00 1.00 C ATOM 1002 C SER A 74 -6.564 -12.795 12.301 1.00 1.00 C ATOM 1003 O SER A 74 -7.067 -11.679 12.439 1.00 1.00 O ATOM 1004 CB SER A 74 -7.890 -14.910 12.392 1.00 1.00 C ATOM 1005 OG SER A 74 -7.025 -16.022 12.545 1.00 1.00 O ATOM 0 H SER A 74 -6.254 -15.475 10.621 1.00 1.00 H new ATOM 0 HA SER A 74 -8.067 -13.363 10.917 1.00 1.00 H new ATOM 0 HB2 SER A 74 -8.102 -14.473 13.368 1.00 1.00 H new ATOM 0 HB3 SER A 74 -8.842 -15.240 11.977 1.00 1.00 H new ATOM 0 HG SER A 74 -7.444 -16.683 13.135 1.00 1.00 H new ATOM 1011 N ASN A 75 -5.394 -13.118 12.831 1.00 1.00 N ATOM 1012 CA ASN A 75 -4.665 -12.134 13.603 1.00 1.00 C ATOM 1013 C ASN A 75 -3.622 -11.471 12.724 1.00 1.00 C ATOM 1014 O ASN A 75 -2.494 -11.949 12.600 1.00 1.00 O ATOM 1015 CB ASN A 75 -3.996 -12.790 14.813 1.00 1.00 C ATOM 1016 CG ASN A 75 -3.073 -13.926 14.417 1.00 1.00 C ATOM 1017 OD1 ASN A 75 -3.265 -14.565 13.382 1.00 1.00 O ATOM 1018 ND2 ASN A 75 -2.063 -14.183 15.240 1.00 1.00 N ATOM 0 H ASN A 75 -4.942 -14.028 12.743 1.00 1.00 H new ATOM 0 HA ASN A 75 -5.363 -11.380 13.965 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -3.429 -12.039 15.363 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -4.763 -13.168 15.489 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -1.409 -14.935 15.025 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -1.942 -13.628 16.087 1.00 1.00 H new ATOM 1025 N ASP A 76 -4.012 -10.357 12.124 1.00 1.00 N ATOM 1026 CA ASP A 76 -3.116 -9.601 11.257 1.00 1.00 C ATOM 1027 C ASP A 76 -3.620 -8.174 11.057 1.00 1.00 C ATOM 1028 O ASP A 76 -4.804 -7.962 10.798 1.00 1.00 O ATOM 1029 CB ASP A 76 -2.969 -10.295 9.903 1.00 1.00 C ATOM 1030 CG ASP A 76 -1.755 -9.808 9.136 1.00 1.00 C ATOM 1031 OD1 ASP A 76 -0.633 -10.253 9.456 1.00 1.00 O ATOM 1032 OD2 ASP A 76 -1.926 -8.980 8.217 1.00 1.00 O ATOM 0 H ASP A 76 -4.944 -9.954 12.221 1.00 1.00 H new ATOM 0 HA ASP A 76 -2.141 -9.558 11.742 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.892 -11.372 10.055 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -3.866 -10.121 9.308 1.00 1.00 H new ATOM 1037 N PRO A 77 -2.730 -7.171 11.161 1.00 1.00 N ATOM 1038 CA PRO A 77 -3.115 -5.776 10.973 1.00 1.00 C ATOM 1039 C PRO A 77 -3.804 -5.558 9.630 1.00 1.00 C ATOM 1040 O PRO A 77 -4.638 -4.664 9.485 1.00 1.00 O ATOM 1041 CB PRO A 77 -1.791 -5.009 11.019 1.00 1.00 C ATOM 1042 CG PRO A 77 -0.804 -5.921 11.660 1.00 1.00 C ATOM 1043 CD PRO A 77 -1.295 -7.325 11.458 1.00 1.00 C ATOM 0 HA PRO A 77 -3.826 -5.448 11.731 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -1.468 -4.729 10.016 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -1.896 -4.086 11.589 1.00 1.00 H new ATOM 0 HG2 PRO A 77 0.183 -5.792 11.216 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -0.708 -5.697 12.722 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -0.770 -7.816 10.639 1.00 1.00 H new ATOM 0 HD3 PRO A 77 -1.136 -7.934 12.348 1.00 1.00 H new ATOM 1051 N LEU A 78 -3.451 -6.387 8.652 1.00 1.00 N ATOM 1052 CA LEU A 78 -4.036 -6.293 7.321 1.00 1.00 C ATOM 1053 C LEU A 78 -5.489 -6.755 7.339 1.00 1.00 C ATOM 1054 O LEU A 78 -6.374 -6.075 6.820 1.00 1.00 O ATOM 1055 CB LEU A 78 -3.236 -7.132 6.324 1.00 1.00 C ATOM 1056 CG LEU A 78 -3.737 -7.071 4.881 1.00 1.00 C ATOM 1057 CD1 LEU A 78 -3.175 -5.847 4.174 1.00 1.00 C ATOM 1058 CD2 LEU A 78 -3.362 -8.341 4.132 1.00 1.00 C ATOM 0 H LEU A 78 -2.762 -7.132 8.758 1.00 1.00 H new ATOM 0 HA LEU A 78 -4.004 -5.249 7.010 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -2.197 -6.803 6.346 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -3.249 -8.171 6.654 1.00 1.00 H new ATOM 0 HG LEU A 78 -4.824 -6.990 4.896 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -3.542 -5.819 3.148 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -3.494 -4.946 4.698 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -2.086 -5.898 4.169 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -3.727 -8.280 3.107 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -2.278 -8.453 4.125 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -3.812 -9.202 4.627 1.00 1.00 H new ATOM 1070 N GLY A 79 -5.727 -7.915 7.944 1.00 1.00 N ATOM 1071 CA GLY A 79 -7.074 -8.446 8.024 1.00 1.00 C ATOM 1072 C GLY A 79 -8.024 -7.496 8.723 1.00 1.00 C ATOM 1073 O GLY A 79 -9.150 -7.287 8.270 1.00 1.00 O ATOM 0 H GLY A 79 -5.011 -8.496 8.380 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -7.442 -8.651 7.019 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -7.057 -9.397 8.557 1.00 1.00 H new ATOM 1077 N GLU A 80 -7.568 -6.911 9.826 1.00 1.00 N ATOM 1078 CA GLU A 80 -8.384 -5.971 10.582 1.00 1.00 C ATOM 1079 C GLU A 80 -8.654 -4.712 9.759 1.00 1.00 C ATOM 1080 O GLU A 80 -9.651 -4.021 9.969 1.00 1.00 O ATOM 1081 CB GLU A 80 -7.697 -5.616 11.910 1.00 1.00 C ATOM 1082 CG GLU A 80 -6.666 -4.501 11.804 1.00 1.00 C ATOM 1083 CD GLU A 80 -7.166 -3.190 12.379 1.00 1.00 C ATOM 1084 OE1 GLU A 80 -8.020 -2.546 11.734 1.00 1.00 O ATOM 1085 OE2 GLU A 80 -6.704 -2.808 13.475 1.00 1.00 O ATOM 0 H GLU A 80 -6.639 -7.072 10.215 1.00 1.00 H new ATOM 0 HA GLU A 80 -9.341 -6.443 10.805 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -8.459 -5.323 12.633 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.211 -6.508 12.304 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -5.757 -4.800 12.327 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.399 -4.356 10.757 1.00 1.00 H new ATOM 1092 N LEU A 81 -7.759 -4.426 8.816 1.00 1.00 N ATOM 1093 CA LEU A 81 -7.896 -3.259 7.953 1.00 1.00 C ATOM 1094 C LEU A 81 -8.981 -3.488 6.908 1.00 1.00 C ATOM 1095 O LEU A 81 -9.979 -2.770 6.863 1.00 1.00 O ATOM 1096 CB LEU A 81 -6.566 -2.957 7.262 1.00 1.00 C ATOM 1097 CG LEU A 81 -6.591 -1.775 6.291 1.00 1.00 C ATOM 1098 CD1 LEU A 81 -6.626 -0.459 7.053 1.00 1.00 C ATOM 1099 CD2 LEU A 81 -5.385 -1.823 5.364 1.00 1.00 C ATOM 0 H LEU A 81 -6.929 -4.990 8.631 1.00 1.00 H new ATOM 0 HA LEU A 81 -8.181 -2.407 8.570 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.813 -2.763 8.026 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.247 -3.846 6.719 1.00 1.00 H new ATOM 0 HG LEU A 81 -7.495 -1.845 5.686 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -6.643 0.370 6.346 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -7.519 -0.423 7.676 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -5.740 -0.380 7.683 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -5.418 -0.975 4.680 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.470 -1.777 5.955 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.402 -2.751 4.793 1.00 1.00 H new ATOM 1111 N PHE A 82 -8.775 -4.497 6.068 1.00 1.00 N ATOM 1112 CA PHE A 82 -9.732 -4.828 5.019 1.00 1.00 C ATOM 1113 C PHE A 82 -11.074 -5.242 5.616 1.00 1.00 C ATOM 1114 O PHE A 82 -12.118 -5.089 4.983 1.00 1.00 O ATOM 1115 CB PHE A 82 -9.187 -5.954 4.137 1.00 1.00 C ATOM 1116 CG PHE A 82 -7.874 -5.630 3.480 1.00 1.00 C ATOM 1117 CD1 PHE A 82 -7.584 -4.337 3.076 1.00 1.00 C ATOM 1118 CD2 PHE A 82 -6.931 -6.622 3.266 1.00 1.00 C ATOM 1119 CE1 PHE A 82 -6.379 -4.038 2.471 1.00 1.00 C ATOM 1120 CE2 PHE A 82 -5.723 -6.330 2.660 1.00 1.00 C ATOM 1121 CZ PHE A 82 -5.447 -5.036 2.263 1.00 1.00 C ATOM 0 H PHE A 82 -7.953 -5.100 6.094 1.00 1.00 H new ATOM 0 HA PHE A 82 -9.884 -3.938 4.409 1.00 1.00 H new ATOM 0 HB2 PHE A 82 -9.067 -6.852 4.743 1.00 1.00 H new ATOM 0 HB3 PHE A 82 -9.921 -6.186 3.365 1.00 1.00 H new ATOM 0 HD1 PHE A 82 -8.309 -3.553 3.236 1.00 1.00 H new ATOM 0 HD2 PHE A 82 -7.142 -7.635 3.576 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -6.166 -3.026 2.161 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -4.996 -7.112 2.497 1.00 1.00 H new ATOM 0 HZ PHE A 82 -4.504 -4.805 1.791 1.00 1.00 H new ATOM 1131 N GLY A 83 -11.038 -5.768 6.836 1.00 1.00 N ATOM 1132 CA GLY A 83 -12.258 -6.197 7.494 1.00 1.00 C ATOM 1133 C GLY A 83 -12.631 -7.624 7.146 1.00 1.00 C ATOM 1134 O GLY A 83 -13.811 -7.971 7.100 1.00 1.00 O ATOM 0 H GLY A 83 -10.186 -5.905 7.380 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.135 -6.109 8.574 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -13.074 -5.532 7.211 1.00 1.00 H new ATOM 1138 N VAL A 84 -11.622 -8.454 6.901 1.00 1.00 N ATOM 1139 CA VAL A 84 -11.848 -9.852 6.554 1.00 1.00 C ATOM 1140 C VAL A 84 -10.686 -10.726 7.014 1.00 1.00 C ATOM 1141 O VAL A 84 -9.550 -10.262 7.116 1.00 1.00 O ATOM 1142 CB VAL A 84 -12.041 -10.031 5.037 1.00 1.00 C ATOM 1143 CG1 VAL A 84 -13.323 -9.354 4.577 1.00 1.00 C ATOM 1144 CG2 VAL A 84 -10.840 -9.487 4.277 1.00 1.00 C ATOM 0 H VAL A 84 -10.640 -8.182 6.936 1.00 1.00 H new ATOM 0 HA VAL A 84 -12.759 -10.162 7.067 1.00 1.00 H new ATOM 0 HB VAL A 84 -12.124 -11.097 4.824 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -13.442 -9.492 3.502 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -14.174 -9.796 5.096 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -13.273 -8.289 4.803 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -10.995 -9.622 3.207 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -10.722 -8.426 4.495 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -9.942 -10.023 4.584 1.00 1.00 H new ATOM 1154 N GLN A 85 -10.977 -11.992 7.291 1.00 1.00 N ATOM 1155 CA GLN A 85 -9.955 -12.932 7.740 1.00 1.00 C ATOM 1156 C GLN A 85 -9.630 -13.947 6.648 1.00 1.00 C ATOM 1157 O GLN A 85 -9.200 -15.065 6.935 1.00 1.00 O ATOM 1158 CB GLN A 85 -10.419 -13.657 9.006 1.00 1.00 C ATOM 1159 CG GLN A 85 -11.093 -12.747 10.020 1.00 1.00 C ATOM 1160 CD GLN A 85 -10.099 -11.951 10.842 1.00 1.00 C ATOM 1161 OE1 GLN A 85 -9.402 -11.024 10.194 1.00 1.00 O flip ATOM 1162 NE2 GLN A 85 -9.958 -12.166 12.046 1.00 1.00 N flip ATOM 0 H GLN A 85 -11.912 -12.392 7.213 1.00 1.00 H new ATOM 0 HA GLN A 85 -9.051 -12.366 7.965 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -11.112 -14.450 8.726 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -9.560 -14.136 9.475 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -11.760 -12.060 9.499 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -11.711 -13.348 10.687 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -10.514 -12.888 12.504 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -9.285 -11.622 12.586 1.00 1.00 H new ATOM 1171 N GLU A 86 -9.836 -13.551 5.396 1.00 1.00 N ATOM 1172 CA GLU A 86 -9.565 -14.424 4.259 1.00 1.00 C ATOM 1173 C GLU A 86 -9.904 -13.724 2.947 1.00 1.00 C ATOM 1174 O GLU A 86 -10.995 -13.176 2.790 1.00 1.00 O ATOM 1175 CB GLU A 86 -10.367 -15.721 4.378 1.00 1.00 C ATOM 1176 CG GLU A 86 -11.859 -15.499 4.564 1.00 1.00 C ATOM 1177 CD GLU A 86 -12.698 -16.356 3.636 1.00 1.00 C ATOM 1178 OE1 GLU A 86 -12.629 -16.144 2.407 1.00 1.00 O ATOM 1179 OE2 GLU A 86 -13.423 -17.241 4.139 1.00 1.00 O ATOM 0 H GLU A 86 -10.191 -12.629 5.143 1.00 1.00 H new ATOM 0 HA GLU A 86 -8.501 -14.663 4.262 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -10.206 -16.321 3.482 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -9.986 -16.298 5.221 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -12.129 -15.718 5.597 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -12.090 -14.448 4.390 1.00 1.00 H new ATOM 1186 N PHE A 87 -8.964 -13.744 2.008 1.00 1.00 N ATOM 1187 CA PHE A 87 -9.173 -13.107 0.713 1.00 1.00 C ATOM 1188 C PHE A 87 -8.185 -13.630 -0.325 1.00 1.00 C ATOM 1189 O PHE A 87 -6.998 -13.793 -0.041 1.00 1.00 O ATOM 1190 CB PHE A 87 -9.038 -11.587 0.839 1.00 1.00 C ATOM 1191 CG PHE A 87 -7.645 -11.130 1.168 1.00 1.00 C ATOM 1192 CD1 PHE A 87 -6.706 -10.950 0.165 1.00 1.00 C ATOM 1193 CD2 PHE A 87 -7.275 -10.880 2.480 1.00 1.00 C ATOM 1194 CE1 PHE A 87 -5.424 -10.530 0.464 1.00 1.00 C ATOM 1195 CE2 PHE A 87 -5.994 -10.459 2.785 1.00 1.00 C ATOM 1196 CZ PHE A 87 -5.068 -10.284 1.776 1.00 1.00 C ATOM 0 H PHE A 87 -8.054 -14.192 2.118 1.00 1.00 H new ATOM 0 HA PHE A 87 -10.182 -13.351 0.380 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -9.351 -11.124 -0.097 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -9.719 -11.233 1.613 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -6.979 -11.140 -0.862 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -7.995 -11.016 3.273 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -4.701 -10.394 -0.327 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -5.718 -10.267 3.811 1.00 1.00 H new ATOM 0 HZ PHE A 87 -4.067 -9.955 2.012 1.00 1.00 H new ATOM 1206 N SER A 88 -8.683 -13.883 -1.530 1.00 1.00 N ATOM 1207 CA SER A 88 -7.844 -14.378 -2.615 1.00 1.00 C ATOM 1208 C SER A 88 -7.262 -13.217 -3.413 1.00 1.00 C ATOM 1209 O SER A 88 -7.923 -12.197 -3.612 1.00 1.00 O ATOM 1210 CB SER A 88 -8.652 -15.293 -3.537 1.00 1.00 C ATOM 1211 OG SER A 88 -9.685 -14.575 -4.190 1.00 1.00 O ATOM 0 H SER A 88 -9.663 -13.754 -1.780 1.00 1.00 H new ATOM 0 HA SER A 88 -7.024 -14.950 -2.181 1.00 1.00 H new ATOM 0 HB2 SER A 88 -7.992 -15.742 -4.279 1.00 1.00 H new ATOM 0 HB3 SER A 88 -9.083 -16.110 -2.958 1.00 1.00 H new ATOM 0 HG SER A 88 -10.186 -15.181 -4.775 1.00 1.00 H new ATOM 1217 N VAL A 89 -6.023 -13.374 -3.868 1.00 1.00 N ATOM 1218 CA VAL A 89 -5.364 -12.330 -4.643 1.00 1.00 C ATOM 1219 C VAL A 89 -5.644 -12.473 -6.138 1.00 1.00 C ATOM 1220 O VAL A 89 -5.009 -11.814 -6.961 1.00 1.00 O ATOM 1221 CB VAL A 89 -3.840 -12.325 -4.414 1.00 1.00 C ATOM 1222 CG1 VAL A 89 -3.508 -11.699 -3.071 1.00 1.00 C ATOM 1223 CG2 VAL A 89 -3.270 -13.732 -4.508 1.00 1.00 C ATOM 0 H VAL A 89 -5.458 -14.209 -3.714 1.00 1.00 H new ATOM 0 HA VAL A 89 -5.778 -11.384 -4.293 1.00 1.00 H new ATOM 0 HB VAL A 89 -3.380 -11.724 -5.199 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -2.428 -11.703 -2.925 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.873 -10.672 -3.048 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.984 -12.272 -2.275 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.193 -13.700 -4.343 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.735 -14.364 -3.751 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.473 -14.141 -5.498 1.00 1.00 H new ATOM 1233 N LYS A 90 -6.601 -13.331 -6.487 1.00 1.00 N ATOM 1234 CA LYS A 90 -6.960 -13.545 -7.883 1.00 1.00 C ATOM 1235 C LYS A 90 -7.921 -12.463 -8.365 1.00 1.00 C ATOM 1236 O LYS A 90 -7.888 -12.061 -9.528 1.00 1.00 O ATOM 1237 CB LYS A 90 -7.591 -14.928 -8.063 1.00 1.00 C ATOM 1238 CG LYS A 90 -6.928 -15.762 -9.147 1.00 1.00 C ATOM 1239 CD LYS A 90 -7.937 -16.633 -9.876 1.00 1.00 C ATOM 1240 CE LYS A 90 -7.279 -17.862 -10.481 1.00 1.00 C ATOM 1241 NZ LYS A 90 -8.132 -18.491 -11.526 1.00 1.00 N ATOM 0 H LYS A 90 -7.139 -13.887 -5.822 1.00 1.00 H new ATOM 0 HA LYS A 90 -6.051 -13.491 -8.482 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -7.539 -15.468 -7.118 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -8.647 -14.808 -8.303 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -6.431 -15.104 -9.860 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -6.157 -16.391 -8.703 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -8.720 -16.942 -9.183 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -8.419 -16.053 -10.663 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -6.319 -17.583 -10.916 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -7.074 -18.588 -9.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -7.647 -19.326 -11.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -9.038 -18.781 -11.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -8.307 -17.807 -12.289 1.00 1.00 H new ATOM 1255 N GLU A 91 -8.775 -11.994 -7.460 1.00 1.00 N ATOM 1256 CA GLU A 91 -9.744 -10.955 -7.788 1.00 1.00 C ATOM 1257 C GLU A 91 -9.209 -9.580 -7.405 1.00 1.00 C ATOM 1258 O GLU A 91 -9.604 -9.008 -6.389 1.00 1.00 O ATOM 1259 CB GLU A 91 -11.070 -11.221 -7.072 1.00 1.00 C ATOM 1260 CG GLU A 91 -11.717 -12.540 -7.463 1.00 1.00 C ATOM 1261 CD GLU A 91 -13.112 -12.362 -8.031 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -13.280 -11.522 -8.939 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -14.035 -13.064 -7.568 1.00 1.00 O ATOM 0 H GLU A 91 -8.815 -12.318 -6.494 1.00 1.00 H new ATOM 0 HA GLU A 91 -9.914 -10.973 -8.865 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -10.900 -11.214 -5.995 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -11.761 -10.407 -7.291 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -11.091 -13.043 -8.200 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -11.765 -13.190 -6.589 1.00 1.00 H new ATOM 1270 N HIS A 92 -8.302 -9.057 -8.224 1.00 1.00 N ATOM 1271 CA HIS A 92 -7.702 -7.750 -7.975 1.00 1.00 C ATOM 1272 C HIS A 92 -8.771 -6.672 -7.808 1.00 1.00 C ATOM 1273 O HIS A 92 -8.557 -5.674 -7.120 1.00 1.00 O ATOM 1274 CB HIS A 92 -6.761 -7.376 -9.122 1.00 1.00 C ATOM 1275 CG HIS A 92 -5.516 -8.206 -9.168 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -4.968 -9.033 -8.246 1.00 1.00 N flip ATOM 1277 CD2 HIS A 92 -4.675 -8.243 -10.261 1.00 1.00 C flip ATOM 1278 CE1 HIS A 92 -3.820 -9.549 -8.795 1.00 1.00 C flip ATOM 1279 NE2 HIS A 92 -3.666 -9.058 -10.010 1.00 1.00 N flip ATOM 0 H HIS A 92 -7.965 -9.520 -9.068 1.00 1.00 H new ATOM 0 HA HIS A 92 -7.134 -7.813 -7.047 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -7.293 -7.481 -10.067 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.485 -6.326 -9.027 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -4.819 -7.692 -11.179 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -3.151 -10.245 -8.310 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -2.899 -9.271 -10.647 1.00 1.00 H new ATOM 1288 N ARG A 93 -9.920 -6.878 -8.444 1.00 1.00 N ATOM 1289 CA ARG A 93 -11.019 -5.922 -8.366 1.00 1.00 C ATOM 1290 C ARG A 93 -11.456 -5.705 -6.921 1.00 1.00 C ATOM 1291 O ARG A 93 -11.663 -4.571 -6.489 1.00 1.00 O ATOM 1292 CB ARG A 93 -12.204 -6.410 -9.202 1.00 1.00 C ATOM 1293 CG ARG A 93 -12.125 -6.003 -10.664 1.00 1.00 C ATOM 1294 CD ARG A 93 -13.028 -6.866 -11.531 1.00 1.00 C ATOM 1295 NE ARG A 93 -12.422 -7.161 -12.827 1.00 1.00 N ATOM 1296 CZ ARG A 93 -11.460 -8.064 -13.007 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -10.993 -8.761 -11.979 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -10.965 -8.272 -14.220 1.00 1.00 N ATOM 0 H ARG A 93 -10.114 -7.698 -9.019 1.00 1.00 H new ATOM 0 HA ARG A 93 -10.667 -4.970 -8.764 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -12.260 -7.497 -9.138 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -13.126 -6.018 -8.774 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -12.411 -4.956 -10.768 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -11.095 -6.088 -11.012 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -13.246 -7.799 -11.012 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -13.980 -6.357 -11.683 1.00 1.00 H new ATOM 0 HE ARG A 93 -12.755 -6.645 -13.642 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -11.371 -8.607 -11.044 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -10.256 -9.451 -12.123 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -11.321 -7.740 -15.014 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -10.228 -8.964 -14.358 1.00 1.00 H new ATOM 1312 N ARG A 94 -11.596 -6.798 -6.178 1.00 1.00 N ATOM 1313 CA ARG A 94 -12.011 -6.725 -4.781 1.00 1.00 C ATOM 1314 C ARG A 94 -10.958 -6.015 -3.934 1.00 1.00 C ATOM 1315 O ARG A 94 -11.268 -5.079 -3.198 1.00 1.00 O ATOM 1316 CB ARG A 94 -12.266 -8.131 -4.231 1.00 1.00 C ATOM 1317 CG ARG A 94 -13.592 -8.266 -3.500 1.00 1.00 C ATOM 1318 CD ARG A 94 -13.999 -9.723 -3.347 1.00 1.00 C ATOM 1319 NE ARG A 94 -15.416 -9.930 -3.638 1.00 1.00 N ATOM 1320 CZ ARG A 94 -16.094 -11.020 -3.286 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -15.489 -12.002 -2.629 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -17.380 -11.128 -3.590 1.00 1.00 N ATOM 0 H ARG A 94 -11.428 -7.744 -6.519 1.00 1.00 H new ATOM 0 HA ARG A 94 -12.935 -6.149 -4.731 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -12.240 -8.845 -5.054 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -11.457 -8.399 -3.552 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -13.515 -7.804 -2.516 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -14.366 -7.726 -4.046 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -13.398 -10.339 -4.016 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -13.786 -10.054 -2.331 1.00 1.00 H new ATOM 0 HE ARG A 94 -15.915 -9.196 -4.141 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -14.500 -11.923 -2.392 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -16.013 -12.835 -2.361 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -17.850 -10.376 -4.094 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -17.899 -11.963 -3.320 1.00 1.00 H new ATOM 1336 N ILE A 95 -9.714 -6.469 -4.044 1.00 1.00 N ATOM 1337 CA ILE A 95 -8.615 -5.880 -3.288 1.00 1.00 C ATOM 1338 C ILE A 95 -8.389 -4.425 -3.688 1.00 1.00 C ATOM 1339 O ILE A 95 -8.339 -3.536 -2.839 1.00 1.00 O ATOM 1340 CB ILE A 95 -7.308 -6.666 -3.500 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -7.538 -8.152 -3.223 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -6.204 -6.115 -2.606 1.00 1.00 C ATOM 1343 CD1 ILE A 95 -6.280 -8.983 -3.314 1.00 1.00 C ATOM 0 H ILE A 95 -9.442 -7.243 -4.650 1.00 1.00 H new ATOM 0 HA ILE A 95 -8.894 -5.925 -2.235 1.00 1.00 H new ATOM 0 HB ILE A 95 -6.993 -6.552 -4.537 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -7.968 -8.266 -2.228 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -8.270 -8.537 -3.933 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -5.287 -6.682 -2.768 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -6.030 -5.066 -2.847 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -6.504 -6.202 -1.562 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -6.517 -10.026 -3.106 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -5.860 -8.899 -4.316 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -5.553 -8.624 -2.585 1.00 1.00 H new ATOM 1355 N TYR A 96 -8.252 -4.193 -4.988 1.00 1.00 N ATOM 1356 CA TYR A 96 -8.029 -2.850 -5.515 1.00 1.00 C ATOM 1357 C TYR A 96 -9.042 -1.855 -4.950 1.00 1.00 C ATOM 1358 O TYR A 96 -8.746 -0.668 -4.801 1.00 1.00 O ATOM 1359 CB TYR A 96 -8.117 -2.874 -7.042 1.00 1.00 C ATOM 1360 CG TYR A 96 -7.687 -1.584 -7.703 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -8.563 -0.511 -7.813 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.407 -1.443 -8.224 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -8.175 0.666 -8.423 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -6.012 -0.268 -8.835 1.00 1.00 C ATOM 1365 CZ TYR A 96 -6.900 0.784 -8.932 1.00 1.00 C ATOM 1366 OH TYR A 96 -6.512 1.958 -9.541 1.00 1.00 O ATOM 0 H TYR A 96 -8.292 -4.921 -5.701 1.00 1.00 H new ATOM 0 HA TYR A 96 -7.034 -2.526 -5.210 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -7.497 -3.688 -7.419 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -9.144 -3.095 -7.333 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -9.563 -0.599 -7.415 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -5.710 -2.264 -8.150 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -8.868 1.491 -8.501 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -5.013 -0.173 -9.235 1.00 1.00 H new ATOM 0 HH TYR A 96 -5.770 2.357 -9.040 1.00 1.00 H new ATOM 1376 N ALA A 97 -10.237 -2.346 -4.642 1.00 1.00 N ATOM 1377 CA ALA A 97 -11.296 -1.500 -4.101 1.00 1.00 C ATOM 1378 C ALA A 97 -11.064 -1.176 -2.628 1.00 1.00 C ATOM 1379 O ALA A 97 -11.018 -0.008 -2.242 1.00 1.00 O ATOM 1380 CB ALA A 97 -12.648 -2.171 -4.287 1.00 1.00 C ATOM 0 H ALA A 97 -10.497 -3.325 -4.757 1.00 1.00 H new ATOM 0 HA ALA A 97 -11.283 -0.559 -4.651 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -13.431 -1.531 -3.880 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -12.830 -2.335 -5.349 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -12.654 -3.128 -3.766 1.00 1.00 H new ATOM 1386 N MET A 98 -10.933 -2.213 -1.806 1.00 1.00 N ATOM 1387 CA MET A 98 -10.722 -2.028 -0.374 1.00 1.00 C ATOM 1388 C MET A 98 -9.436 -1.251 -0.094 1.00 1.00 C ATOM 1389 O MET A 98 -9.399 -0.396 0.792 1.00 1.00 O ATOM 1390 CB MET A 98 -10.698 -3.385 0.340 1.00 1.00 C ATOM 1391 CG MET A 98 -9.393 -4.149 0.187 1.00 1.00 C ATOM 1392 SD MET A 98 -9.611 -5.930 0.374 1.00 1.00 S ATOM 1393 CE MET A 98 -7.925 -6.503 0.185 1.00 1.00 C ATOM 0 H MET A 98 -10.969 -3.187 -2.106 1.00 1.00 H new ATOM 0 HA MET A 98 -11.554 -1.440 0.014 1.00 1.00 H new ATOM 0 HB2 MET A 98 -10.891 -3.228 1.401 1.00 1.00 H new ATOM 0 HB3 MET A 98 -11.512 -3.999 -0.044 1.00 1.00 H new ATOM 0 HG2 MET A 98 -8.965 -3.939 -0.793 1.00 1.00 H new ATOM 0 HG3 MET A 98 -8.678 -3.794 0.929 1.00 1.00 H new ATOM 0 HE1 MET A 98 -7.798 -6.940 -0.805 1.00 1.00 H new ATOM 0 HE2 MET A 98 -7.240 -5.663 0.301 1.00 1.00 H new ATOM 0 HE3 MET A 98 -7.709 -7.255 0.944 1.00 1.00 H new ATOM 1403 N ILE A 99 -8.385 -1.548 -0.852 1.00 1.00 N ATOM 1404 CA ILE A 99 -7.107 -0.869 -0.674 1.00 1.00 C ATOM 1405 C ILE A 99 -7.215 0.608 -1.034 1.00 1.00 C ATOM 1406 O ILE A 99 -6.543 1.452 -0.441 1.00 1.00 O ATOM 1407 CB ILE A 99 -5.996 -1.519 -1.522 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -6.360 -1.476 -3.008 1.00 1.00 C ATOM 1409 CG2 ILE A 99 -5.756 -2.952 -1.070 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -5.591 -0.430 -3.787 1.00 1.00 C ATOM 0 H ILE A 99 -8.393 -2.251 -1.591 1.00 1.00 H new ATOM 0 HA ILE A 99 -6.844 -0.964 0.380 1.00 1.00 H new ATOM 0 HB ILE A 99 -5.075 -0.953 -1.380 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -6.174 -2.456 -3.448 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -7.428 -1.280 -3.107 1.00 1.00 H new ATOM 0 HG21 ILE A 99 -4.969 -3.398 -1.678 1.00 1.00 H new ATOM 0 HG22 ILE A 99 -5.453 -2.957 -0.023 1.00 1.00 H new ATOM 0 HG23 ILE A 99 -6.674 -3.528 -1.185 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -5.899 -0.455 -4.832 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -5.796 0.557 -3.372 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -4.523 -0.637 -3.718 1.00 1.00 H new ATOM 1422 N SER A 100 -8.069 0.917 -2.006 1.00 1.00 N ATOM 1423 CA SER A 100 -8.265 2.296 -2.438 1.00 1.00 C ATOM 1424 C SER A 100 -9.019 3.094 -1.378 1.00 1.00 C ATOM 1425 O SER A 100 -8.766 4.283 -1.186 1.00 1.00 O ATOM 1426 CB SER A 100 -9.030 2.334 -3.763 1.00 1.00 C ATOM 1427 OG SER A 100 -9.069 3.647 -4.293 1.00 1.00 O ATOM 0 H SER A 100 -8.635 0.232 -2.508 1.00 1.00 H new ATOM 0 HA SER A 100 -7.284 2.750 -2.581 1.00 1.00 H new ATOM 0 HB2 SER A 100 -8.556 1.663 -4.480 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.046 1.970 -3.610 1.00 1.00 H new ATOM 0 HG SER A 100 -9.562 3.643 -5.140 1.00 1.00 H new ATOM 1433 N ARG A 101 -9.943 2.430 -0.690 1.00 1.00 N ATOM 1434 CA ARG A 101 -10.731 3.078 0.353 1.00 1.00 C ATOM 1435 C ARG A 101 -9.928 3.221 1.647 1.00 1.00 C ATOM 1436 O ARG A 101 -10.384 3.852 2.600 1.00 1.00 O ATOM 1437 CB ARG A 101 -12.009 2.282 0.623 1.00 1.00 C ATOM 1438 CG ARG A 101 -12.775 1.912 -0.636 1.00 1.00 C ATOM 1439 CD ARG A 101 -13.530 0.604 -0.464 1.00 1.00 C ATOM 1440 NE ARG A 101 -14.848 0.806 0.133 1.00 1.00 N ATOM 1441 CZ ARG A 101 -15.551 -0.157 0.724 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -15.067 -1.391 0.799 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -16.742 0.113 1.242 1.00 1.00 N ATOM 0 H ARG A 101 -10.164 1.445 -0.836 1.00 1.00 H new ATOM 0 HA ARG A 101 -10.994 4.075 0.001 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -11.752 1.370 1.162 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -12.659 2.865 1.275 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -13.477 2.709 -0.884 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -12.082 1.826 -1.473 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -13.642 0.120 -1.434 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -12.948 -0.071 0.163 1.00 1.00 H new ATOM 0 HE ARG A 101 -15.254 1.741 0.095 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -14.152 -1.605 0.402 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -15.610 -2.125 1.253 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -17.119 1.059 1.187 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -17.280 -0.625 1.695 1.00 1.00 H new ATOM 1457 N ASN A 102 -8.735 2.630 1.677 1.00 1.00 N ATOM 1458 CA ASN A 102 -7.881 2.694 2.859 1.00 1.00 C ATOM 1459 C ASN A 102 -6.934 3.894 2.805 1.00 1.00 C ATOM 1460 O ASN A 102 -5.921 3.923 3.504 1.00 1.00 O ATOM 1461 CB ASN A 102 -7.074 1.403 2.993 1.00 1.00 C ATOM 1462 CG ASN A 102 -7.907 0.255 3.528 1.00 1.00 C ATOM 1463 OD1 ASN A 102 -7.380 -0.959 3.421 1.00 1.00 O flip ATOM 1464 ND2 ASN A 102 -9.011 0.457 4.032 1.00 1.00 N flip ATOM 0 H ASN A 102 -8.340 2.103 0.898 1.00 1.00 H new ATOM 0 HA ASN A 102 -8.527 2.814 3.729 1.00 1.00 H new ATOM 0 HB2 ASN A 102 -6.666 1.130 2.020 1.00 1.00 H new ATOM 0 HB3 ASN A 102 -6.227 1.574 3.657 1.00 1.00 H new ATOM 0 HD21 ASN A 102 -9.377 1.407 4.094 1.00 1.00 H new ATOM 0 HD22 ASN A 102 -9.560 -0.325 4.388 1.00 1.00 H new ATOM 1471 N LEU A 103 -7.265 4.881 1.977 1.00 1.00 N ATOM 1472 CA LEU A 103 -6.436 6.076 1.844 1.00 1.00 C ATOM 1473 C LEU A 103 -7.096 7.273 2.523 1.00 1.00 C ATOM 1474 O LEU A 103 -8.152 7.737 2.093 1.00 1.00 O ATOM 1475 CB LEU A 103 -6.186 6.388 0.366 1.00 1.00 C ATOM 1476 CG LEU A 103 -6.028 5.164 -0.540 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -6.318 5.530 -1.987 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -4.631 4.579 -0.403 1.00 1.00 C ATOM 0 H LEU A 103 -8.099 4.878 1.390 1.00 1.00 H new ATOM 0 HA LEU A 103 -5.482 5.882 2.334 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -7.014 6.992 -0.007 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -5.286 6.998 0.287 1.00 1.00 H new ATOM 0 HG LEU A 103 -6.749 4.408 -0.229 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -6.201 4.648 -2.616 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -7.339 5.902 -2.071 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -5.622 6.303 -2.313 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -4.535 3.710 -1.054 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -3.893 5.329 -0.688 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -4.462 4.279 0.631 1.00 1.00 H new ATOM 1490 N VAL A 104 -6.471 7.769 3.589 1.00 1.00 N ATOM 1491 CA VAL A 104 -7.010 8.912 4.322 1.00 1.00 C ATOM 1492 C VAL A 104 -6.974 10.184 3.475 1.00 1.00 C ATOM 1493 O VAL A 104 -8.019 10.714 3.098 1.00 1.00 O ATOM 1494 CB VAL A 104 -6.268 9.163 5.658 1.00 1.00 C ATOM 1495 CG1 VAL A 104 -6.902 8.348 6.775 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -4.781 8.847 5.547 1.00 1.00 C ATOM 0 H VAL A 104 -5.596 7.400 3.962 1.00 1.00 H new ATOM 0 HA VAL A 104 -8.045 8.660 4.551 1.00 1.00 H new ATOM 0 HB VAL A 104 -6.361 10.223 5.894 1.00 1.00 H new ATOM 0 HG11 VAL A 104 -6.370 8.534 7.708 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -7.947 8.637 6.889 1.00 1.00 H new ATOM 0 HG13 VAL A 104 -6.844 7.288 6.530 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -4.296 9.036 6.505 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -4.651 7.800 5.275 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -4.331 9.479 4.782 1.00 1.00 H new ATOM 1506 N SER A 105 -5.772 10.668 3.175 1.00 1.00 N ATOM 1507 CA SER A 105 -5.614 11.874 2.370 1.00 1.00 C ATOM 1508 C SER A 105 -5.101 11.531 0.975 1.00 1.00 C ATOM 1509 O SER A 105 -4.279 10.630 0.810 1.00 1.00 O ATOM 1510 CB SER A 105 -4.655 12.849 3.056 1.00 1.00 C ATOM 1511 OG SER A 105 -3.305 12.522 2.777 1.00 1.00 O ATOM 0 H SER A 105 -4.895 10.244 3.477 1.00 1.00 H new ATOM 0 HA SER A 105 -6.591 12.348 2.272 1.00 1.00 H new ATOM 0 HB2 SER A 105 -4.863 13.865 2.720 1.00 1.00 H new ATOM 0 HB3 SER A 105 -4.821 12.830 4.133 1.00 1.00 H new ATOM 0 HG SER A 105 -2.714 13.162 3.226 1.00 1.00 H new ATOM 1517 N ALA A 106 -5.592 12.254 -0.027 1.00 1.00 N ATOM 1518 CA ALA A 106 -5.182 12.023 -1.408 1.00 1.00 C ATOM 1519 C ALA A 106 -4.391 13.207 -1.953 1.00 1.00 C ATOM 1520 O ALA A 106 -4.868 14.342 -1.943 1.00 1.00 O ATOM 1521 CB ALA A 106 -6.399 11.753 -2.280 1.00 1.00 C ATOM 0 H ALA A 106 -6.273 13.004 0.091 1.00 1.00 H new ATOM 0 HA ALA A 106 -4.532 11.148 -1.426 1.00 1.00 H new ATOM 0 HB1 ALA A 106 -6.079 11.582 -3.308 1.00 1.00 H new ATOM 0 HB2 ALA A 106 -6.922 10.871 -1.911 1.00 1.00 H new ATOM 0 HB3 ALA A 106 -7.069 12.612 -2.246 1.00 1.00 H new ATOM 1527 N ASN A 107 -3.180 12.936 -2.429 1.00 1.00 N ATOM 1528 CA ASN A 107 -2.324 13.981 -2.980 1.00 1.00 C ATOM 1529 C ASN A 107 -2.369 13.972 -4.505 1.00 1.00 C ATOM 1530 O ASN A 107 -2.357 12.912 -5.131 1.00 1.00 O ATOM 1531 CB ASN A 107 -0.884 13.797 -2.497 1.00 1.00 C ATOM 1532 CG ASN A 107 -0.290 15.080 -1.948 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -0.109 16.055 -2.677 1.00 1.00 O ATOM 1534 ND2 ASN A 107 0.016 15.084 -0.656 1.00 1.00 N ATOM 0 H ASN A 107 -2.769 12.002 -2.444 1.00 1.00 H new ATOM 0 HA ASN A 107 -2.696 14.944 -2.630 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -0.858 13.028 -1.725 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -0.269 13.440 -3.323 1.00 1.00 H new ATOM 0 HD21 ASN A 107 0.419 15.919 -0.230 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -0.151 14.252 -0.090 1.00 1.00 H new ATOM 1541 N VAL A 108 -2.421 15.161 -5.097 1.00 1.00 N ATOM 1542 CA VAL A 108 -2.467 15.290 -6.549 1.00 1.00 C ATOM 1543 C VAL A 108 -1.357 16.207 -7.057 1.00 1.00 C ATOM 1544 O VAL A 108 -0.811 17.014 -6.304 1.00 1.00 O ATOM 1545 CB VAL A 108 -3.839 15.816 -7.027 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -3.911 17.333 -6.928 1.00 1.00 C ATOM 1547 CG2 VAL A 108 -4.116 15.356 -8.450 1.00 1.00 C ATOM 0 H VAL A 108 -2.432 16.048 -4.594 1.00 1.00 H new ATOM 0 HA VAL A 108 -2.316 14.293 -6.962 1.00 1.00 H new ATOM 0 HB VAL A 108 -4.607 15.403 -6.373 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -4.888 17.674 -7.271 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -3.764 17.637 -5.892 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -3.133 17.776 -7.550 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -5.086 15.734 -8.772 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -3.339 15.737 -9.113 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -4.122 14.267 -8.486 1.00 1.00 H new ATOM 1557 N LYS A 109 -1.032 16.078 -8.338 1.00 1.00 N ATOM 1558 CA LYS A 109 0.010 16.894 -8.950 1.00 1.00 C ATOM 1559 C LYS A 109 -0.469 18.328 -9.150 1.00 1.00 C ATOM 1560 O LYS A 109 -1.239 18.613 -10.067 1.00 1.00 O ATOM 1561 CB LYS A 109 0.433 16.295 -10.292 1.00 1.00 C ATOM 1562 CG LYS A 109 1.491 15.210 -10.168 1.00 1.00 C ATOM 1563 CD LYS A 109 2.631 15.424 -11.153 1.00 1.00 C ATOM 1564 CE LYS A 109 3.055 14.120 -11.811 1.00 1.00 C ATOM 1565 NZ LYS A 109 2.582 14.029 -13.220 1.00 1.00 N ATOM 0 H LYS A 109 -1.476 15.415 -8.974 1.00 1.00 H new ATOM 0 HA LYS A 109 0.868 16.907 -8.278 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -0.445 15.880 -10.788 1.00 1.00 H new ATOM 0 HB3 LYS A 109 0.814 17.091 -10.932 1.00 1.00 H new ATOM 0 HG2 LYS A 109 1.885 15.199 -9.152 1.00 1.00 H new ATOM 0 HG3 LYS A 109 1.036 14.235 -10.344 1.00 1.00 H new ATOM 0 HD2 LYS A 109 2.322 16.135 -11.919 1.00 1.00 H new ATOM 0 HD3 LYS A 109 3.483 15.864 -10.635 1.00 1.00 H new ATOM 0 HE2 LYS A 109 4.142 14.038 -11.787 1.00 1.00 H new ATOM 0 HE3 LYS A 109 2.659 13.280 -11.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 2.892 13.126 -13.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 1.544 14.082 -13.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 2.980 14.816 -13.771 1.00 1.00 H new ATOM 1579 N GLU A 110 -0.008 19.227 -8.286 1.00 1.00 N ATOM 1580 CA GLU A 110 -0.390 20.632 -8.369 1.00 1.00 C ATOM 1581 C GLU A 110 0.728 21.531 -7.849 1.00 1.00 C ATOM 1582 O GLU A 110 1.685 21.056 -7.238 1.00 1.00 O ATOM 1583 CB GLU A 110 -1.675 20.881 -7.575 1.00 1.00 C ATOM 1584 CG GLU A 110 -2.922 20.947 -8.442 1.00 1.00 C ATOM 1585 CD GLU A 110 -3.405 22.367 -8.660 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -3.738 23.041 -7.662 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -3.452 22.806 -9.828 1.00 1.00 O ATOM 0 H GLU A 110 0.630 19.008 -7.521 1.00 1.00 H new ATOM 0 HA GLU A 110 -0.568 20.874 -9.417 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -1.797 20.087 -6.838 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -1.576 21.816 -7.023 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -2.714 20.486 -9.407 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -3.716 20.365 -7.975 1.00 1.00 H new ATOM 1594 N SER A 111 0.599 22.830 -8.096 1.00 1.00 N ATOM 1595 CA SER A 111 1.598 23.796 -7.652 1.00 1.00 C ATOM 1596 C SER A 111 1.479 24.052 -6.153 1.00 1.00 C ATOM 1597 O SER A 111 0.575 24.756 -5.704 1.00 1.00 O ATOM 1598 CB SER A 111 1.444 25.110 -8.420 1.00 1.00 C ATOM 1599 OG SER A 111 0.106 25.574 -8.374 1.00 1.00 O ATOM 0 H SER A 111 -0.187 23.239 -8.601 1.00 1.00 H new ATOM 0 HA SER A 111 2.585 23.379 -7.854 1.00 1.00 H new ATOM 0 HB2 SER A 111 2.108 25.863 -7.995 1.00 1.00 H new ATOM 0 HB3 SER A 111 1.747 24.966 -9.457 1.00 1.00 H new ATOM 0 HG SER A 111 -0.233 25.504 -7.457 1.00 1.00 H new ATOM 1605 N SER A 112 2.397 23.476 -5.384 1.00 1.00 N ATOM 1606 CA SER A 112 2.395 23.642 -3.936 1.00 1.00 C ATOM 1607 C SER A 112 3.724 24.214 -3.451 1.00 1.00 C ATOM 1608 O SER A 112 4.713 23.492 -3.327 1.00 1.00 O ATOM 1609 CB SER A 112 2.122 22.303 -3.248 1.00 1.00 C ATOM 1610 OG SER A 112 0.737 22.127 -3.004 1.00 1.00 O ATOM 0 H SER A 112 3.152 22.890 -5.740 1.00 1.00 H new ATOM 0 HA SER A 112 1.602 24.344 -3.678 1.00 1.00 H new ATOM 0 HB2 SER A 112 2.491 21.489 -3.872 1.00 1.00 H new ATOM 0 HB3 SER A 112 2.669 22.256 -2.306 1.00 1.00 H new ATOM 0 HG SER A 112 0.589 21.263 -2.565 1.00 1.00 H new ATOM 1616 N GLU A 113 3.739 25.515 -3.180 1.00 1.00 N ATOM 1617 CA GLU A 113 4.946 26.183 -2.708 1.00 1.00 C ATOM 1618 C GLU A 113 5.119 25.996 -1.205 1.00 1.00 C ATOM 1619 O GLU A 113 4.145 26.008 -0.452 1.00 1.00 O ATOM 1620 CB GLU A 113 4.894 27.674 -3.046 1.00 1.00 C ATOM 1621 CG GLU A 113 3.597 28.348 -2.627 1.00 1.00 C ATOM 1622 CD GLU A 113 3.789 29.807 -2.264 1.00 1.00 C ATOM 1623 OE1 GLU A 113 4.596 30.484 -2.935 1.00 1.00 O ATOM 1624 OE2 GLU A 113 3.133 30.273 -1.309 1.00 1.00 O ATOM 0 H GLU A 113 2.929 26.127 -3.279 1.00 1.00 H new ATOM 0 HA GLU A 113 5.801 25.733 -3.212 1.00 1.00 H new ATOM 0 HB2 GLU A 113 5.729 28.178 -2.559 1.00 1.00 H new ATOM 0 HB3 GLU A 113 5.028 27.799 -4.120 1.00 1.00 H new ATOM 0 HG2 GLU A 113 2.873 28.272 -3.439 1.00 1.00 H new ATOM 0 HG3 GLU A 113 3.175 27.817 -1.773 1.00 1.00 H new ATOM 1631 N ASP A 114 6.365 25.825 -0.774 1.00 1.00 N ATOM 1632 CA ASP A 114 6.665 25.635 0.640 1.00 1.00 C ATOM 1633 C ASP A 114 6.967 26.969 1.316 1.00 1.00 C ATOM 1634 O ASP A 114 7.493 27.889 0.690 1.00 1.00 O ATOM 1635 CB ASP A 114 7.851 24.685 0.809 1.00 1.00 C ATOM 1636 CG ASP A 114 7.709 23.792 2.026 1.00 1.00 C ATOM 1637 OD1 ASP A 114 6.946 24.158 2.945 1.00 1.00 O ATOM 1638 OD2 ASP A 114 8.360 22.727 2.061 1.00 1.00 O ATOM 0 H ASP A 114 7.183 25.814 -1.384 1.00 1.00 H new ATOM 0 HA ASP A 114 5.788 25.197 1.116 1.00 1.00 H new ATOM 0 HB2 ASP A 114 7.947 24.066 -0.083 1.00 1.00 H new ATOM 0 HB3 ASP A 114 8.769 25.266 0.894 1.00 1.00 H new ATOM 1643 N ILE A 115 6.642 27.061 2.602 1.00 1.00 N ATOM 1644 CA ILE A 115 6.888 28.265 3.367 1.00 1.00 C ATOM 1645 C ILE A 115 7.981 28.020 4.392 1.00 1.00 C ATOM 1646 O ILE A 115 7.752 27.414 5.439 1.00 1.00 O ATOM 1647 CB ILE A 115 5.616 28.747 4.090 1.00 1.00 C ATOM 1648 CG1 ILE A 115 4.429 28.766 3.124 1.00 1.00 C ATOM 1649 CG2 ILE A 115 5.838 30.126 4.692 1.00 1.00 C ATOM 1650 CD1 ILE A 115 3.099 29.001 3.806 1.00 1.00 C ATOM 0 H ILE A 115 6.205 26.308 3.133 1.00 1.00 H new ATOM 0 HA ILE A 115 7.202 29.039 2.666 1.00 1.00 H new ATOM 0 HB ILE A 115 5.391 28.051 4.899 1.00 1.00 H new ATOM 0 HG12 ILE A 115 4.589 29.546 2.379 1.00 1.00 H new ATOM 0 HG13 ILE A 115 4.391 27.817 2.589 1.00 1.00 H new ATOM 0 HG21 ILE A 115 4.930 30.452 5.199 1.00 1.00 H new ATOM 0 HG22 ILE A 115 6.658 30.082 5.409 1.00 1.00 H new ATOM 0 HG23 ILE A 115 6.085 30.833 3.900 1.00 1.00 H new ATOM 0 HD11 ILE A 115 2.303 29.002 3.061 1.00 1.00 H new ATOM 0 HD12 ILE A 115 2.917 28.208 4.531 1.00 1.00 H new ATOM 0 HD13 ILE A 115 3.118 29.963 4.318 1.00 1.00 H new ATOM 1662 N PHE A 116 9.166 28.498 4.074 1.00 1.00 N ATOM 1663 CA PHE A 116 10.321 28.345 4.952 1.00 1.00 C ATOM 1664 C PHE A 116 10.634 29.649 5.685 1.00 1.00 C ATOM 1665 O PHE A 116 11.739 29.832 6.197 1.00 1.00 O ATOM 1666 CB PHE A 116 11.541 27.893 4.145 1.00 1.00 C ATOM 1667 CG PHE A 116 12.191 26.651 4.685 1.00 1.00 C ATOM 1668 CD1 PHE A 116 12.843 26.669 5.907 1.00 1.00 C ATOM 1669 CD2 PHE A 116 12.148 25.465 3.970 1.00 1.00 C ATOM 1670 CE1 PHE A 116 13.441 25.528 6.406 1.00 1.00 C ATOM 1671 CE2 PHE A 116 12.745 24.320 4.463 1.00 1.00 C ATOM 1672 CZ PHE A 116 13.392 24.352 5.684 1.00 1.00 C ATOM 0 H PHE A 116 9.361 29.001 3.208 1.00 1.00 H new ATOM 0 HA PHE A 116 10.080 27.586 5.696 1.00 1.00 H new ATOM 0 HB2 PHE A 116 11.238 27.716 3.113 1.00 1.00 H new ATOM 0 HB3 PHE A 116 12.274 28.699 4.128 1.00 1.00 H new ATOM 0 HD1 PHE A 116 12.884 27.586 6.476 1.00 1.00 H new ATOM 0 HD2 PHE A 116 11.642 25.435 3.016 1.00 1.00 H new ATOM 0 HE1 PHE A 116 13.946 25.556 7.360 1.00 1.00 H new ATOM 0 HE2 PHE A 116 12.706 23.402 3.895 1.00 1.00 H new ATOM 0 HZ PHE A 116 13.858 23.459 6.073 1.00 1.00 H new ATOM 1682 N GLY A 117 9.658 30.551 5.736 1.00 1.00 N ATOM 1683 CA GLY A 117 9.856 31.820 6.411 1.00 1.00 C ATOM 1684 C GLY A 117 11.030 32.602 5.853 1.00 1.00 C ATOM 1685 O GLY A 117 11.635 33.412 6.555 1.00 1.00 O ATOM 0 H GLY A 117 8.734 30.425 5.322 1.00 1.00 H new ATOM 0 HA2 GLY A 117 8.950 32.420 6.322 1.00 1.00 H new ATOM 0 HA3 GLY A 117 10.016 31.640 7.474 1.00 1.00 H new ATOM 1689 N ASN A 118 11.353 32.359 4.587 1.00 1.00 N ATOM 1690 CA ASN A 118 12.463 33.046 3.936 1.00 1.00 C ATOM 1691 C ASN A 118 11.966 33.909 2.780 1.00 1.00 C ATOM 1692 O ASN A 118 11.369 33.406 1.828 1.00 1.00 O ATOM 1693 CB ASN A 118 13.492 32.031 3.430 1.00 1.00 C ATOM 1694 CG ASN A 118 14.811 32.127 4.171 1.00 1.00 C ATOM 1695 OD1 ASN A 118 15.878 32.175 3.559 1.00 1.00 O ATOM 1696 ND2 ASN A 118 14.745 32.155 5.497 1.00 1.00 N ATOM 0 H ASN A 118 10.862 31.692 3.992 1.00 1.00 H new ATOM 0 HA ASN A 118 12.938 33.696 4.671 1.00 1.00 H new ATOM 0 HB2 ASN A 118 13.089 31.024 3.540 1.00 1.00 H new ATOM 0 HB3 ASN A 118 13.664 32.192 2.366 1.00 1.00 H new ATOM 0 HD21 ASN A 118 15.600 32.219 6.049 1.00 1.00 H new ATOM 0 HD22 ASN A 118 13.839 32.113 5.964 1.00 1.00 H new ATOM 1703 N VAL A 119 12.217 35.211 2.870 1.00 1.00 N ATOM 1704 CA VAL A 119 11.796 36.144 1.832 1.00 1.00 C ATOM 1705 C VAL A 119 12.910 37.127 1.492 1.00 1.00 C ATOM 1706 O VAL A 119 14.026 37.016 2.000 1.00 1.00 O ATOM 1707 CB VAL A 119 10.544 36.933 2.260 1.00 1.00 C ATOM 1708 CG1 VAL A 119 9.313 36.041 2.230 1.00 1.00 C ATOM 1709 CG2 VAL A 119 10.741 37.537 3.642 1.00 1.00 C ATOM 0 H VAL A 119 12.710 35.644 3.651 1.00 1.00 H new ATOM 0 HA VAL A 119 11.558 35.549 0.950 1.00 1.00 H new ATOM 0 HB VAL A 119 10.390 37.747 1.551 1.00 1.00 H new ATOM 0 HG11 VAL A 119 8.439 36.616 2.535 1.00 1.00 H new ATOM 0 HG12 VAL A 119 9.163 35.662 1.219 1.00 1.00 H new ATOM 0 HG13 VAL A 119 9.453 35.204 2.914 1.00 1.00 H new ATOM 0 HG21 VAL A 119 9.847 38.091 3.928 1.00 1.00 H new ATOM 0 HG22 VAL A 119 10.922 36.741 4.365 1.00 1.00 H new ATOM 0 HG23 VAL A 119 11.596 38.213 3.625 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 0.644 -11.196 -5.444 1.00 1.00 C HETATM 1721 N2 IMY A 120 1.424 -10.467 -4.657 1.00 1.00 N HETATM 1722 C3 IMY A 120 0.976 -9.042 -4.724 1.00 1.00 C HETATM 1723 C4 IMY A 120 0.306 -9.046 -6.142 1.00 1.00 C HETATM 1724 N5 IMY A 120 -0.099 -10.451 -6.261 1.00 1.00 N HETATM 1725 C13 IMY A 120 0.045 -8.667 -3.581 1.00 1.00 C HETATM 1726 C14 IMY A 120 -0.162 -7.310 -3.283 1.00 1.00 C HETATM 1727 C15 IMY A 120 -1.092 -6.920 -2.314 1.00 1.00 C HETATM 1728 C16 IMY A 120 -1.844 -7.873 -1.648 1.00 1.00 C HETATM 1729 C17 IMY A 120 -1.623 -9.217 -1.897 1.00 1.00 C HETATM 1730 C18 IMY A 120 -0.687 -9.619 -2.848 1.00 1.00 C HETATM 1731 CL16 IMY A 120 -3.040 -7.396 -0.513 1.00 1.00 CL HETATM 1732 C20 IMY A 120 -0.506 -6.776 -6.877 1.00 1.00 C HETATM 1733 C21 IMY A 120 -1.512 -5.868 -7.205 1.00 1.00 C HETATM 1734 C22 IMY A 120 -2.844 -6.260 -7.147 1.00 1.00 C HETATM 1735 C23 IMY A 120 -3.176 -7.554 -6.766 1.00 1.00 C HETATM 1736 C24 IMY A 120 -2.167 -8.479 -6.494 1.00 1.00 C HETATM 1737 C19 IMY A 120 -0.813 -8.100 -6.512 1.00 1.00 C HETATM 1738 CL22 IMY A 120 -4.087 -5.149 -7.554 1.00 1.00 CL HETATM 1739 C28 IMY A 120 0.643 -14.925 -4.643 1.00 1.00 C HETATM 1740 C29 IMY A 120 0.960 -13.557 -4.536 1.00 1.00 C HETATM 1741 C34 IMY A 120 0.493 -12.659 -5.520 1.00 1.00 C HETATM 1742 C25 IMY A 120 -0.270 -13.174 -6.594 1.00 1.00 C HETATM 1743 C26 IMY A 120 -0.578 -14.528 -6.686 1.00 1.00 C HETATM 1744 C27 IMY A 120 -0.126 -15.406 -5.702 1.00 1.00 C HETATM 1745 O3 IMY A 120 1.706 -13.023 -3.489 1.00 1.00 O HETATM 1746 C31 IMY A 120 1.823 -13.769 -2.252 1.00 1.00 C HETATM 1747 C32 IMY A 120 2.336 -12.877 -1.120 1.00 1.00 C HETATM 1748 C33 IMY A 120 0.427 -14.271 -1.901 1.00 1.00 C HETATM 1749 O2 IMY A 120 -0.406 -16.763 -5.650 1.00 1.00 O HETATM 1750 C30 IMY A 120 -0.874 -17.361 -6.865 1.00 1.00 C HETATM 0 H333 IMY A 120 -0.244 -13.421 -1.776 1.00 1.00 H new HETATM 0 H332 IMY A 120 0.058 -14.910 -2.703 1.00 1.00 H new HETATM 0 H331 IMY A 120 0.468 -14.841 -0.973 1.00 1.00 H new HETATM 0 H323 IMY A 120 3.317 -12.482 -1.384 1.00 1.00 H new HETATM 0 H322 IMY A 120 1.642 -12.051 -0.965 1.00 1.00 H new HETATM 0 H321 IMY A 120 2.415 -13.461 -0.203 1.00 1.00 H new HETATM 0 H302 IMY A 120 -1.799 -16.876 -7.177 1.00 1.00 H new HETATM 0 H301 IMY A 120 -0.121 -17.240 -7.644 1.00 1.00 H new HETATM 0 H4 IMY A 120 1.029 -8.642 -6.851 1.00 1.00 H new HETATM 0 H31 IMY A 120 2.529 -14.590 -2.377 1.00 1.00 H new HETATM 0 H30 IMY A 120 -1.059 -18.423 -6.700 1.00 1.00 H new HETATM 0 H3 IMY A 120 1.759 -8.292 -4.610 1.00 1.00 H new HETATM 0 H28 IMY A 120 1.005 -15.620 -3.885 1.00 1.00 H new HETATM 0 H26 IMY A 120 -1.169 -14.900 -7.523 1.00 1.00 H new HETATM 0 H25 IMY A 120 -0.625 -12.494 -7.368 1.00 1.00 H new HETATM 0 H24 IMY A 120 -2.433 -9.511 -6.264 1.00 1.00 H new HETATM 0 H23 IMY A 120 -4.223 -7.846 -6.680 1.00 1.00 H new HETATM 0 H21 IMY A 120 -1.254 -4.853 -7.506 1.00 1.00 H new HETATM 0 H20 IMY A 120 0.535 -6.455 -6.904 1.00 1.00 H new HETATM 0 H18 IMY A 120 -0.520 -10.681 -3.026 1.00 1.00 H new HETATM 0 H17 IMY A 120 -2.187 -9.968 -1.344 1.00 1.00 H new HETATM 0 H15 IMY A 120 -1.225 -5.863 -2.082 1.00 1.00 H new HETATM 0 H14 IMY A 120 0.410 -6.550 -3.815 1.00 1.00 H new