USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 1:sc= 0.583! USER MOD Set 1.2: A 113 SER OG : rot 52:sc= 0.763 USER MOD Set 2.1: A 108 TYR OH : rot -103:sc= 1.09 USER MOD Set 2.2: A 116 ASN :FLIP amide:sc= 0.933 F(o=0.029,f=2) USER MOD Set 3.1: A 70 GLN :FLIP amide:sc= -0.0697 F(o=-0.59,f=-0.032) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0.0375 USER MOD Set 4.1: A 47 GLN : amide:sc= -2.12 K(o=-7.2,f=-8.9!) USER MOD Set 4.2: A 58 MET CE :methyl -105:sc= -4.86! (180deg=-5.65!) USER MOD Set 4.3: A 127 SER OG : rot 132:sc= -0.253 USER MOD Set 5.1: A 40 SER OG : rot 160:sc= 0.535 USER MOD Set 5.2: A 41 ASN :FLIP amide:sc= 0 X(o=0.51,f=0.51) USER MOD Set 5.3: A 42 SER OG : rot 180:sc= 0 USER MOD Set 5.4: A 45 GLN :FLIP amide:sc= -0.0218 F(o=-0.79,f=0.51) USER MOD Set 6.1: A 29 TYR OH : rot -11:sc= 0.592 USER MOD Set 6.2: A 76 GLN :FLIP amide:sc= 0.337 F(o=-0.53,f=0.93) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00754 F(o=-0.98,f=-0.0075) USER MOD Single : A 38 THR OG1 : rot 160:sc= 1.03 USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.51 (180deg=1.51) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.739 (180deg=0.603) USER MOD Single : A 57 HIS : no HE2:sc= 0.247 K(o=0.25,f=-1.3!) USER MOD Single : A 61 SER OG : rot -91:sc= 0.47 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.106 F(o=-1.2,f=-0.11) USER MOD Single : A 63 SER OG : rot -93:sc= 0.962 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= -0.0253 (180deg=-0.207) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 68:sc= 1.08 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.131 (180deg=-0.486) USER MOD Single : A 82 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.1) USER MOD Single : A 85 ASN :FLIP amide:sc=-0.00412 F(o=-1.6!,f=-0.0041) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.0655 (180deg=-0.442) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.586 F(o=-4.3!,f=-0.59) USER MOD Single : A 103 SER OG : rot 109:sc= 1.38 USER MOD Single : A 104 SER OG : rot 153:sc= 0.14 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.988 F(o=-5.8!,f=-0.99) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 119 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 120 SER OG : rot -160:sc= 0.783 USER MOD Single : A 122 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.5) USER MOD Single : A 124 MET CE :methyl 176:sc= 0 (180deg=-0.0254) USER MOD Single : A 126 HIS :FLIP no HD1:sc=-0.00853 F(o=-0.97,f=-0.0085) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -8.897 -2.614 14.884 1.00 0.00 N ATOM 2 CA ARG A 25 -9.103 -2.103 13.512 1.00 0.00 C ATOM 3 C ARG A 25 -7.808 -1.516 12.973 1.00 0.00 C ATOM 4 O ARG A 25 -7.102 -0.805 13.681 1.00 0.00 O ATOM 5 CB ARG A 25 -10.189 -1.021 13.500 1.00 0.00 C ATOM 6 CG ARG A 25 -10.498 -0.481 12.111 1.00 0.00 C ATOM 7 CD ARG A 25 -11.344 0.781 12.178 1.00 0.00 C ATOM 8 NE ARG A 25 -10.592 1.929 12.693 1.00 0.00 N ATOM 9 CZ ARG A 25 -11.057 2.756 13.627 1.00 0.00 C ATOM 10 NH1 ARG A 25 -12.230 2.523 14.203 1.00 0.00 N ATOM 11 NH2 ARG A 25 -10.345 3.807 14.001 1.00 0.00 N ATOM 0 HA ARG A 25 -9.418 -2.935 12.882 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.102 -1.430 13.933 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.875 -0.196 14.139 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.566 -0.268 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.023 -1.241 11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.723 1.015 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.210 0.602 12.815 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.661 2.104 12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.779 1.708 13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.582 3.159 14.918 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.436 3.986 13.573 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.705 4.438 14.717 1.00 0.00 H new ATOM 23 N LEU A 26 -7.495 -1.822 11.726 1.00 0.00 N ATOM 24 CA LEU A 26 -6.357 -1.215 11.057 1.00 0.00 C ATOM 25 C LEU A 26 -6.843 -0.457 9.833 1.00 0.00 C ATOM 26 O LEU A 26 -7.640 -0.975 9.063 1.00 0.00 O ATOM 27 CB LEU A 26 -5.330 -2.274 10.645 1.00 0.00 C ATOM 28 CG LEU A 26 -4.673 -3.037 11.798 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.710 -4.081 11.260 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.948 -2.084 12.737 1.00 0.00 C ATOM 0 H LEU A 26 -8.014 -2.489 11.155 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.870 -0.528 11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.819 -2.993 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.548 -1.789 10.061 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.458 -3.541 12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.251 -4.615 12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.253 -4.787 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.935 -3.591 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.490 -2.650 13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.175 -1.549 12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.660 -1.369 13.151 1.00 0.00 H new ATOM 42 N SER A 27 -6.409 0.783 9.690 1.00 0.00 N ATOM 43 CA SER A 27 -6.762 1.607 8.538 1.00 0.00 C ATOM 44 C SER A 27 -5.751 2.739 8.411 1.00 0.00 C ATOM 45 O SER A 27 -5.252 3.229 9.421 1.00 0.00 O ATOM 46 CB SER A 27 -8.175 2.183 8.702 1.00 0.00 C ATOM 47 OG SER A 27 -9.146 1.150 8.819 1.00 0.00 O ATOM 0 H SER A 27 -5.803 1.250 10.365 1.00 0.00 H new ATOM 0 HA SER A 27 -6.745 0.993 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.210 2.819 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.414 2.814 7.846 1.00 0.00 H new ATOM 0 HG SER A 27 -8.701 0.278 8.788 1.00 0.00 H new ATOM 53 N TRP A 28 -5.448 3.167 7.186 1.00 0.00 N ATOM 54 CA TRP A 28 -4.448 4.217 6.999 1.00 0.00 C ATOM 55 C TRP A 28 -5.031 5.597 7.304 1.00 0.00 C ATOM 56 O TRP A 28 -4.430 6.625 6.997 1.00 0.00 O ATOM 57 CB TRP A 28 -3.807 4.167 5.595 1.00 0.00 C ATOM 58 CG TRP A 28 -4.735 4.372 4.425 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.874 5.125 4.379 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.558 3.840 3.103 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.423 5.077 3.120 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.635 4.297 2.320 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.596 3.015 2.507 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.776 3.961 0.975 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.738 2.681 1.171 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.820 3.154 0.419 1.00 0.00 C ATOM 0 H TRP A 28 -5.869 2.813 6.327 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.648 4.030 7.715 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.027 4.927 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.318 3.200 5.477 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.284 5.678 5.211 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.280 5.547 2.829 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.758 2.646 3.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.610 4.324 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.002 2.045 0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.902 2.876 -0.621 1.00 0.00 H new ATOM 77 N TYR A 29 -6.214 5.599 7.911 1.00 0.00 N ATOM 78 CA TYR A 29 -6.827 6.819 8.406 1.00 0.00 C ATOM 79 C TYR A 29 -6.598 6.928 9.908 1.00 0.00 C ATOM 80 O TYR A 29 -6.976 7.919 10.538 1.00 0.00 O ATOM 81 CB TYR A 29 -8.331 6.835 8.113 1.00 0.00 C ATOM 82 CG TYR A 29 -8.670 6.636 6.653 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.496 7.662 5.732 1.00 0.00 C ATOM 84 CD2 TYR A 29 -9.155 5.419 6.196 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.797 7.477 4.397 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.453 5.225 4.865 1.00 0.00 C ATOM 87 CZ TYR A 29 -9.273 6.257 3.967 1.00 0.00 C ATOM 88 OH TYR A 29 -9.559 6.060 2.635 1.00 0.00 O ATOM 0 H TYR A 29 -6.769 4.758 8.071 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.369 7.668 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.814 6.053 8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.747 7.786 8.447 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.120 8.618 6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.301 4.610 6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.660 8.285 3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.826 4.270 4.526 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.543 6.920 2.166 1.00 0.00 H new ATOM 98 N ASP A 30 -5.977 5.894 10.473 1.00 0.00 N ATOM 99 CA ASP A 30 -5.671 5.860 11.897 1.00 0.00 C ATOM 100 C ASP A 30 -4.231 6.301 12.126 1.00 0.00 C ATOM 101 O ASP A 30 -3.308 5.774 11.508 1.00 0.00 O ATOM 102 CB ASP A 30 -5.873 4.452 12.474 1.00 0.00 C ATOM 103 CG ASP A 30 -7.305 3.957 12.371 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.233 4.743 12.652 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.514 2.773 12.022 1.00 0.00 O ATOM 0 H ASP A 30 -5.675 5.065 9.960 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.352 6.542 12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.217 3.756 11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.570 4.450 13.521 1.00 0.00 H new ATOM 110 N PRO A 31 -4.029 7.286 13.010 1.00 0.00 N ATOM 111 CA PRO A 31 -2.704 7.845 13.309 1.00 0.00 C ATOM 112 C PRO A 31 -1.707 6.818 13.849 1.00 0.00 C ATOM 113 O PRO A 31 -0.498 7.031 13.773 1.00 0.00 O ATOM 114 CB PRO A 31 -2.990 8.905 14.376 1.00 0.00 C ATOM 115 CG PRO A 31 -4.430 9.234 14.212 1.00 0.00 C ATOM 116 CD PRO A 31 -5.091 7.964 13.770 1.00 0.00 C ATOM 0 HA PRO A 31 -2.236 8.230 12.403 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.783 8.525 15.376 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.365 9.787 14.235 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.858 9.593 15.148 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.569 10.024 13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.425 7.366 14.618 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.968 8.159 13.153 1.00 0.00 H new ATOM 124 N ASP A 32 -2.202 5.716 14.408 1.00 0.00 N ATOM 125 CA ASP A 32 -1.316 4.686 14.960 1.00 0.00 C ATOM 126 C ASP A 32 -0.941 3.647 13.905 1.00 0.00 C ATOM 127 O ASP A 32 -0.182 2.716 14.182 1.00 0.00 O ATOM 128 CB ASP A 32 -1.941 3.996 16.186 1.00 0.00 C ATOM 129 CG ASP A 32 -3.072 3.035 15.849 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.241 3.477 15.797 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.801 1.826 15.671 1.00 0.00 O ATOM 0 H ASP A 32 -3.198 5.512 14.492 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.406 5.193 15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.162 3.451 16.719 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.318 4.760 16.866 1.00 0.00 H new ATOM 136 N PHE A 33 -1.451 3.819 12.694 1.00 0.00 N ATOM 137 CA PHE A 33 -1.160 2.894 11.608 1.00 0.00 C ATOM 138 C PHE A 33 0.284 3.066 11.135 1.00 0.00 C ATOM 139 O PHE A 33 0.738 4.185 10.894 1.00 0.00 O ATOM 140 CB PHE A 33 -2.133 3.128 10.450 1.00 0.00 C ATOM 141 CG PHE A 33 -2.069 2.084 9.372 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.628 0.832 9.573 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.465 2.359 8.154 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.582 -0.127 8.581 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.421 1.404 7.158 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.980 0.159 7.372 1.00 0.00 C ATOM 0 H PHE A 33 -2.068 4.590 12.439 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.283 1.873 11.971 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.148 3.165 10.845 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.927 4.103 10.009 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.104 0.604 10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.025 3.330 7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.017 -1.101 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.950 1.630 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.946 -0.590 6.594 1.00 0.00 H new ATOM 156 N GLN A 34 1.001 1.957 11.008 1.00 0.00 N ATOM 157 CA GLN A 34 2.401 1.994 10.604 1.00 0.00 C ATOM 158 C GLN A 34 2.588 1.383 9.220 1.00 0.00 C ATOM 159 O GLN A 34 2.078 0.298 8.933 1.00 0.00 O ATOM 160 CB GLN A 34 3.270 1.256 11.629 1.00 0.00 C ATOM 161 CG GLN A 34 3.423 2.002 12.945 1.00 0.00 C ATOM 162 CD GLN A 34 4.238 1.241 13.975 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.152 -0.080 13.951 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.935 1.839 14.795 1.00 0.00 N flip ATOM 0 H GLN A 34 0.636 1.020 11.179 1.00 0.00 H new ATOM 0 HA GLN A 34 2.713 3.038 10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.834 0.276 11.825 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.258 1.086 11.200 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.897 2.965 12.756 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.434 2.209 13.355 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.976 2.858 14.783 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.471 1.315 15.487 1.00 0.00 H new ATOM 173 N ALA A 35 3.323 2.086 8.366 1.00 0.00 N ATOM 174 CA ALA A 35 3.585 1.624 7.012 1.00 0.00 C ATOM 175 C ALA A 35 4.958 2.095 6.548 1.00 0.00 C ATOM 176 O ALA A 35 5.549 2.991 7.153 1.00 0.00 O ATOM 177 CB ALA A 35 2.505 2.128 6.065 1.00 0.00 C ATOM 0 H ALA A 35 3.750 2.984 8.592 1.00 0.00 H new ATOM 0 HA ALA A 35 3.572 0.534 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.713 1.775 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.534 1.752 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.494 3.218 6.073 1.00 0.00 H new ATOM 183 N ARG A 36 5.464 1.482 5.486 1.00 0.00 N ATOM 184 CA ARG A 36 6.753 1.850 4.922 1.00 0.00 C ATOM 185 C ARG A 36 6.712 1.720 3.406 1.00 0.00 C ATOM 186 O ARG A 36 5.826 1.066 2.850 1.00 0.00 O ATOM 187 CB ARG A 36 7.867 0.950 5.469 1.00 0.00 C ATOM 188 CG ARG A 36 7.790 -0.477 4.947 1.00 0.00 C ATOM 189 CD ARG A 36 9.031 -1.287 5.290 1.00 0.00 C ATOM 190 NE ARG A 36 9.172 -1.512 6.727 1.00 0.00 N ATOM 191 CZ ARG A 36 10.184 -2.182 7.270 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.140 -2.675 6.495 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.249 -2.361 8.579 1.00 0.00 N ATOM 0 H ARG A 36 4.995 0.721 4.995 1.00 0.00 H new ATOM 0 HA ARG A 36 6.961 2.883 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.834 1.376 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.813 0.936 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.912 -0.968 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.659 -0.459 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.987 -2.248 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.914 -0.768 4.918 1.00 0.00 H new ATOM 0 HE ARG A 36 8.455 -1.135 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.098 -2.540 5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.918 -3.189 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.518 -1.983 9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.030 -2.877 8.985 1.00 0.00 H new ATOM 206 N LEU A 37 7.670 2.347 2.749 1.00 0.00 N ATOM 207 CA LEU A 37 7.846 2.201 1.315 1.00 0.00 C ATOM 208 C LEU A 37 9.221 1.608 1.050 1.00 0.00 C ATOM 209 O LEU A 37 10.202 2.006 1.681 1.00 0.00 O ATOM 210 CB LEU A 37 7.705 3.557 0.616 1.00 0.00 C ATOM 211 CG LEU A 37 6.325 4.208 0.734 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.360 5.628 0.197 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.287 3.392 -0.013 1.00 0.00 C ATOM 0 H LEU A 37 8.346 2.970 3.192 1.00 0.00 H new ATOM 0 HA LEU A 37 7.077 1.538 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.448 4.240 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.940 3.430 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 37 6.050 4.240 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.371 6.076 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.079 6.215 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.656 5.613 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.312 3.870 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.561 3.332 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.242 2.388 0.408 1.00 0.00 H new ATOM 225 N THR A 38 9.279 0.638 0.145 1.00 0.00 N ATOM 226 CA THR A 38 10.533 -0.028 -0.194 1.00 0.00 C ATOM 227 C THR A 38 11.582 0.980 -0.651 1.00 0.00 C ATOM 228 O THR A 38 11.249 1.975 -1.298 1.00 0.00 O ATOM 229 CB THR A 38 10.331 -1.062 -1.312 1.00 0.00 C ATOM 230 OG1 THR A 38 9.707 -0.428 -2.436 1.00 0.00 O ATOM 231 CG2 THR A 38 9.484 -2.230 -0.833 1.00 0.00 C ATOM 0 H THR A 38 8.469 0.293 -0.370 1.00 0.00 H new ATOM 0 HA THR A 38 10.877 -0.532 0.709 1.00 0.00 H new ATOM 0 HB THR A 38 11.305 -1.455 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.862 -0.964 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.358 -2.945 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.979 -2.718 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.507 -1.865 -0.516 1.00 0.00 H new ATOM 239 N ARG A 39 12.842 0.701 -0.334 1.00 0.00 N ATOM 240 CA ARG A 39 13.943 1.604 -0.660 1.00 0.00 C ATOM 241 C ARG A 39 14.228 1.592 -2.161 1.00 0.00 C ATOM 242 O ARG A 39 15.174 0.949 -2.626 1.00 0.00 O ATOM 243 CB ARG A 39 15.204 1.208 0.115 1.00 0.00 C ATOM 244 CG ARG A 39 15.023 1.208 1.626 1.00 0.00 C ATOM 245 CD ARG A 39 16.244 0.644 2.331 1.00 0.00 C ATOM 246 NE ARG A 39 16.000 0.421 3.757 1.00 0.00 N ATOM 247 CZ ARG A 39 15.619 -0.748 4.267 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.433 -1.791 3.471 1.00 0.00 N ATOM 249 NH2 ARG A 39 15.424 -0.882 5.569 1.00 0.00 N ATOM 0 H ARG A 39 13.129 -0.149 0.152 1.00 0.00 H new ATOM 0 HA ARG A 39 13.651 2.614 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.518 0.214 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.009 1.895 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.839 2.225 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.145 0.618 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.532 -0.296 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.082 1.330 2.210 1.00 0.00 H new ATOM 0 HE ARG A 39 16.129 1.206 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.582 -1.699 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.141 -2.686 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.566 -0.086 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.132 -1.782 5.951 1.00 0.00 H new ATOM 262 N SER A 40 13.398 2.297 -2.911 1.00 0.00 N ATOM 263 CA SER A 40 13.540 2.377 -4.356 1.00 0.00 C ATOM 264 C SER A 40 14.312 3.647 -4.731 1.00 0.00 C ATOM 265 O SER A 40 15.135 4.129 -3.950 1.00 0.00 O ATOM 266 CB SER A 40 12.147 2.354 -5.008 1.00 0.00 C ATOM 267 OG SER A 40 12.229 2.236 -6.421 1.00 0.00 O ATOM 0 H SER A 40 12.611 2.828 -2.539 1.00 0.00 H new ATOM 0 HA SER A 40 14.104 1.520 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.571 1.520 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.609 3.266 -4.750 1.00 0.00 H new ATOM 0 HG SER A 40 11.375 1.907 -6.772 1.00 0.00 H new ATOM 273 N ASN A 41 14.062 4.168 -5.929 1.00 0.00 N ATOM 274 CA ASN A 41 14.757 5.357 -6.419 1.00 0.00 C ATOM 275 C ASN A 41 14.591 6.533 -5.459 1.00 0.00 C ATOM 276 O ASN A 41 15.574 7.071 -4.947 1.00 0.00 O ATOM 277 CB ASN A 41 14.248 5.738 -7.813 1.00 0.00 C ATOM 278 CG ASN A 41 14.976 6.942 -8.386 1.00 0.00 C ATOM 279 OD1 ASN A 41 14.397 8.121 -8.234 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 16.043 6.808 -8.980 1.00 0.00 N flip ATOM 0 H ASN A 41 13.380 3.784 -6.582 1.00 0.00 H new ATOM 0 HA ASN A 41 15.819 5.119 -6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.370 4.889 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.181 5.953 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.460 5.882 -9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.512 7.623 -9.376 1.00 0.00 H new ATOM 287 N SER A 42 13.353 6.923 -5.212 1.00 0.00 N ATOM 288 CA SER A 42 13.069 7.984 -4.266 1.00 0.00 C ATOM 289 C SER A 42 12.899 7.397 -2.874 1.00 0.00 C ATOM 290 O SER A 42 12.348 6.306 -2.712 1.00 0.00 O ATOM 291 CB SER A 42 11.813 8.732 -4.696 1.00 0.00 C ATOM 292 OG SER A 42 11.923 9.160 -6.044 1.00 0.00 O ATOM 0 H SER A 42 12.528 6.519 -5.655 1.00 0.00 H new ATOM 0 HA SER A 42 13.900 8.689 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.942 8.086 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.656 9.594 -4.047 1.00 0.00 H new ATOM 0 HG SER A 42 11.107 9.637 -6.303 1.00 0.00 H new ATOM 298 N LYS A 43 13.377 8.128 -1.873 1.00 0.00 N ATOM 299 CA LYS A 43 13.437 7.621 -0.506 1.00 0.00 C ATOM 300 C LYS A 43 12.042 7.495 0.100 1.00 0.00 C ATOM 301 O LYS A 43 11.860 6.839 1.122 1.00 0.00 O ATOM 302 CB LYS A 43 14.318 8.525 0.366 1.00 0.00 C ATOM 303 CG LYS A 43 13.674 9.855 0.734 1.00 0.00 C ATOM 304 CD LYS A 43 14.654 10.779 1.438 1.00 0.00 C ATOM 305 CE LYS A 43 15.601 11.439 0.450 1.00 0.00 C ATOM 306 NZ LYS A 43 14.900 12.412 -0.436 1.00 0.00 N ATOM 0 H LYS A 43 13.730 9.078 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 43 13.881 6.626 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.573 7.991 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.253 8.720 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.300 10.340 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.814 9.677 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.105 11.545 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.228 10.213 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.393 11.952 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.079 10.673 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.577 12.813 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.139 11.926 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.495 13.177 0.140 1.00 0.00 H new ATOM 319 N CYS A 44 11.068 8.139 -0.526 1.00 0.00 N ATOM 320 CA CYS A 44 9.688 8.023 -0.098 1.00 0.00 C ATOM 321 C CYS A 44 8.823 7.603 -1.280 1.00 0.00 C ATOM 322 O CYS A 44 7.742 8.149 -1.520 1.00 0.00 O ATOM 323 CB CYS A 44 9.203 9.348 0.484 1.00 0.00 C ATOM 324 SG CYS A 44 7.838 9.189 1.677 1.00 0.00 S ATOM 0 H CYS A 44 11.211 8.747 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 44 9.613 7.264 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.041 9.845 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.882 9.994 -0.333 1.00 0.00 H new ATOM 329 N GLN A 45 9.330 6.640 -2.035 1.00 0.00 N ATOM 330 CA GLN A 45 8.626 6.104 -3.187 1.00 0.00 C ATOM 331 C GLN A 45 8.969 4.635 -3.359 1.00 0.00 C ATOM 332 O GLN A 45 10.140 4.255 -3.338 1.00 0.00 O ATOM 333 CB GLN A 45 8.995 6.905 -4.447 1.00 0.00 C ATOM 334 CG GLN A 45 8.507 6.307 -5.764 1.00 0.00 C ATOM 335 CD GLN A 45 9.607 5.591 -6.530 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.725 4.290 -6.327 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 10.335 6.203 -7.311 1.00 0.00 N flip ATOM 0 H GLN A 45 10.239 6.210 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 45 7.551 6.192 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.588 7.911 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.080 7.003 -4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.697 5.607 -5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.094 7.100 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.213 7.207 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.060 5.706 -7.828 1.00 0.00 H new ATOM 346 N GLY A 46 7.953 3.807 -3.523 1.00 0.00 N ATOM 347 CA GLY A 46 8.189 2.395 -3.714 1.00 0.00 C ATOM 348 C GLY A 46 6.960 1.562 -3.442 1.00 0.00 C ATOM 349 O GLY A 46 5.835 2.062 -3.515 1.00 0.00 O ATOM 0 H GLY A 46 6.972 4.086 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.523 2.221 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.996 2.072 -3.056 1.00 0.00 H new ATOM 353 N GLN A 47 7.175 0.292 -3.132 1.00 0.00 N ATOM 354 CA GLN A 47 6.090 -0.622 -2.825 1.00 0.00 C ATOM 355 C GLN A 47 5.533 -0.306 -1.445 1.00 0.00 C ATOM 356 O GLN A 47 6.289 0.028 -0.531 1.00 0.00 O ATOM 357 CB GLN A 47 6.598 -2.061 -2.854 1.00 0.00 C ATOM 358 CG GLN A 47 7.345 -2.429 -4.128 1.00 0.00 C ATOM 359 CD GLN A 47 8.012 -3.789 -4.037 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.052 -4.028 -4.645 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.418 -4.693 -3.278 1.00 0.00 N ATOM 0 H GLN A 47 8.102 -0.130 -3.087 1.00 0.00 H new ATOM 0 HA GLN A 47 5.303 -0.506 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.257 -2.220 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.751 -2.737 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.650 -2.424 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.100 -1.671 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.555 -4.459 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.823 -5.624 -3.183 1.00 0.00 H new ATOM 370 N LEU A 48 4.222 -0.407 -1.296 1.00 0.00 N ATOM 371 CA LEU A 48 3.581 -0.125 -0.025 1.00 0.00 C ATOM 372 C LEU A 48 3.587 -1.363 0.863 1.00 0.00 C ATOM 373 O LEU A 48 2.890 -2.344 0.589 1.00 0.00 O ATOM 374 CB LEU A 48 2.144 0.364 -0.247 1.00 0.00 C ATOM 375 CG LEU A 48 1.383 0.754 1.024 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.060 1.921 1.726 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.059 1.099 0.692 1.00 0.00 C ATOM 0 H LEU A 48 3.582 -0.682 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 48 4.143 0.663 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.170 1.225 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.586 -0.420 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 48 1.391 -0.100 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.501 2.179 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.077 1.641 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.088 2.781 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.587 1.374 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.081 1.936 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.545 0.235 0.238 1.00 0.00 H new ATOM 389 N GLU A 49 4.396 -1.318 1.909 1.00 0.00 N ATOM 390 CA GLU A 49 4.433 -2.384 2.896 1.00 0.00 C ATOM 391 C GLU A 49 3.848 -1.876 4.203 1.00 0.00 C ATOM 392 O GLU A 49 4.333 -0.899 4.772 1.00 0.00 O ATOM 393 CB GLU A 49 5.867 -2.876 3.112 1.00 0.00 C ATOM 394 CG GLU A 49 6.526 -3.429 1.857 1.00 0.00 C ATOM 395 CD GLU A 49 8.001 -3.721 2.054 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.753 -2.796 2.421 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.415 -4.883 1.846 1.00 0.00 O ATOM 0 H GLU A 49 5.040 -0.549 2.097 1.00 0.00 H new ATOM 0 HA GLU A 49 3.841 -3.224 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.470 -2.052 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.863 -3.650 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.015 -4.344 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.406 -2.714 1.043 1.00 0.00 H new ATOM 404 N VAL A 50 2.800 -2.528 4.673 1.00 0.00 N ATOM 405 CA VAL A 50 2.093 -2.069 5.858 1.00 0.00 C ATOM 406 C VAL A 50 2.276 -3.040 7.013 1.00 0.00 C ATOM 407 O VAL A 50 2.554 -4.225 6.808 1.00 0.00 O ATOM 408 CB VAL A 50 0.581 -1.881 5.588 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.357 -0.901 4.444 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.092 -3.215 5.292 1.00 0.00 C ATOM 0 H VAL A 50 2.419 -3.376 4.254 1.00 0.00 H new ATOM 0 HA VAL A 50 2.523 -1.103 6.124 1.00 0.00 H new ATOM 0 HB VAL A 50 0.127 -1.468 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.713 -0.783 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.792 0.065 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.831 -1.283 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.154 -3.054 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.366 -3.666 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.030 -3.881 6.146 1.00 0.00 H new ATOM 420 N TYR A 51 2.143 -2.530 8.228 1.00 0.00 N ATOM 421 CA TYR A 51 2.221 -3.364 9.413 1.00 0.00 C ATOM 422 C TYR A 51 0.857 -3.980 9.691 1.00 0.00 C ATOM 423 O TYR A 51 -0.019 -3.344 10.276 1.00 0.00 O ATOM 424 CB TYR A 51 2.704 -2.555 10.625 1.00 0.00 C ATOM 425 CG TYR A 51 2.874 -3.390 11.883 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.031 -4.129 12.102 1.00 0.00 C ATOM 427 CD2 TYR A 51 1.869 -3.447 12.847 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.182 -4.897 13.242 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.015 -4.215 13.985 1.00 0.00 C ATOM 430 CZ TYR A 51 3.172 -4.938 14.178 1.00 0.00 C ATOM 431 OH TYR A 51 3.318 -5.703 15.310 1.00 0.00 O ATOM 0 H TYR A 51 1.980 -1.541 8.417 1.00 0.00 H new ATOM 0 HA TYR A 51 2.945 -4.159 9.236 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.656 -2.083 10.381 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.992 -1.754 10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.825 -4.103 11.370 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.961 -2.881 12.701 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.089 -5.463 13.398 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.225 -4.249 14.721 1.00 0.00 H new ATOM 0 HH TYR A 51 2.516 -5.620 15.867 1.00 0.00 H new ATOM 441 N LEU A 52 0.681 -5.214 9.250 1.00 0.00 N ATOM 442 CA LEU A 52 -0.579 -5.909 9.429 1.00 0.00 C ATOM 443 C LEU A 52 -0.465 -6.867 10.612 1.00 0.00 C ATOM 444 O LEU A 52 0.533 -6.839 11.335 1.00 0.00 O ATOM 445 CB LEU A 52 -0.948 -6.667 8.146 1.00 0.00 C ATOM 446 CG LEU A 52 -2.417 -7.078 8.016 1.00 0.00 C ATOM 447 CD1 LEU A 52 -3.301 -5.854 7.837 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.599 -8.043 6.853 1.00 0.00 C ATOM 0 H LEU A 52 1.397 -5.755 8.765 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.369 -5.187 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.687 -6.044 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.332 -7.564 8.086 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.715 -7.584 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.341 -6.167 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.193 -5.198 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.003 -5.319 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.649 -8.325 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.283 -7.561 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.996 -8.935 7.022 1.00 0.00 H new ATOM 460 N LYS A 53 -1.472 -7.708 10.806 1.00 0.00 N ATOM 461 CA LYS A 53 -1.482 -8.664 11.908 1.00 0.00 C ATOM 462 C LYS A 53 -0.225 -9.537 11.888 1.00 0.00 C ATOM 463 O LYS A 53 0.423 -9.734 12.918 1.00 0.00 O ATOM 464 CB LYS A 53 -2.758 -9.521 11.846 1.00 0.00 C ATOM 465 CG LYS A 53 -2.795 -10.677 12.835 1.00 0.00 C ATOM 466 CD LYS A 53 -2.305 -11.970 12.199 1.00 0.00 C ATOM 467 CE LYS A 53 -2.178 -13.092 13.214 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.717 -14.355 12.578 1.00 0.00 N ATOM 0 H LYS A 53 -2.299 -7.748 10.210 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.480 -8.114 12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.620 -8.879 12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.863 -9.920 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.176 -10.438 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.813 -10.813 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.996 -12.271 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.338 -11.798 11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.476 -12.800 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.141 -13.257 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.399 -15.018 13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.501 -14.781 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.928 -14.151 11.932 1.00 0.00 H new ATOM 481 N ASP A 54 0.129 -10.038 10.712 1.00 0.00 N ATOM 482 CA ASP A 54 1.315 -10.883 10.571 1.00 0.00 C ATOM 483 C ASP A 54 2.560 -10.059 10.268 1.00 0.00 C ATOM 484 O ASP A 54 3.516 -10.561 9.681 1.00 0.00 O ATOM 485 CB ASP A 54 1.117 -11.936 9.477 1.00 0.00 C ATOM 486 CG ASP A 54 0.151 -13.028 9.881 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.534 -13.884 10.710 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.986 -13.042 9.368 1.00 0.00 O ATOM 0 H ASP A 54 -0.383 -9.877 9.844 1.00 0.00 H new ATOM 0 HA ASP A 54 1.459 -11.387 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.751 -11.449 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.080 -12.383 9.230 1.00 0.00 H new ATOM 493 N GLY A 55 2.545 -8.793 10.656 1.00 0.00 N ATOM 494 CA GLY A 55 3.710 -7.954 10.477 1.00 0.00 C ATOM 495 C GLY A 55 3.727 -7.263 9.128 1.00 0.00 C ATOM 496 O GLY A 55 2.700 -7.198 8.444 1.00 0.00 O ATOM 0 H GLY A 55 1.746 -8.332 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.737 -7.203 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.610 -8.560 10.582 1.00 0.00 H new ATOM 500 N TRP A 56 4.897 -6.764 8.744 1.00 0.00 N ATOM 501 CA TRP A 56 5.056 -6.011 7.502 1.00 0.00 C ATOM 502 C TRP A 56 4.718 -6.866 6.291 1.00 0.00 C ATOM 503 O TRP A 56 5.304 -7.930 6.084 1.00 0.00 O ATOM 504 CB TRP A 56 6.485 -5.474 7.390 1.00 0.00 C ATOM 505 CG TRP A 56 6.838 -4.524 8.492 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.577 -4.800 9.606 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.448 -3.149 8.597 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.673 -3.681 10.396 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.989 -2.653 9.798 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.697 -2.289 7.790 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.798 -1.334 10.211 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.513 -0.985 8.201 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.060 -0.518 9.400 1.00 0.00 C ATOM 0 H TRP A 56 5.758 -6.868 9.280 1.00 0.00 H new ATOM 0 HA TRP A 56 4.361 -5.172 7.525 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.184 -6.310 7.400 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.604 -4.970 6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.021 -5.758 9.833 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.172 -3.623 11.284 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.269 -2.639 6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.218 -0.971 11.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.935 -0.312 7.585 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.896 0.509 9.691 1.00 0.00 H new ATOM 524 N HIS A 57 3.763 -6.397 5.501 1.00 0.00 N ATOM 525 CA HIS A 57 3.330 -7.107 4.308 1.00 0.00 C ATOM 526 C HIS A 57 3.066 -6.138 3.166 1.00 0.00 C ATOM 527 O HIS A 57 2.666 -4.995 3.385 1.00 0.00 O ATOM 528 CB HIS A 57 2.076 -7.935 4.595 1.00 0.00 C ATOM 529 CG HIS A 57 2.369 -9.296 5.144 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.567 -9.543 6.486 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.503 -10.489 4.519 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.811 -10.828 6.661 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.776 -11.424 5.484 1.00 0.00 N ATOM 0 H HIS A 57 3.270 -5.520 5.668 1.00 0.00 H new ATOM 0 HA HIS A 57 4.133 -7.782 4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.448 -7.394 5.303 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.501 -8.040 3.675 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.531 -8.843 7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.412 -10.671 3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.006 -11.310 7.607 1.00 0.00 H new ATOM 541 N MET A 58 3.293 -6.616 1.955 1.00 0.00 N ATOM 542 CA MET A 58 3.166 -5.807 0.752 1.00 0.00 C ATOM 543 C MET A 58 1.715 -5.754 0.287 1.00 0.00 C ATOM 544 O MET A 58 1.050 -6.782 0.215 1.00 0.00 O ATOM 545 CB MET A 58 4.030 -6.416 -0.352 1.00 0.00 C ATOM 546 CG MET A 58 5.495 -6.563 0.026 1.00 0.00 C ATOM 547 SD MET A 58 6.334 -7.812 -0.968 1.00 0.00 S ATOM 548 CE MET A 58 5.822 -7.322 -2.610 1.00 0.00 C ATOM 0 H MET A 58 3.572 -7.581 1.776 1.00 0.00 H new ATOM 0 HA MET A 58 3.496 -4.792 0.973 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.632 -7.396 -0.613 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.955 -5.794 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.998 -5.604 -0.098 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.571 -6.829 1.080 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.063 -8.014 -2.976 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.408 -6.314 -2.577 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.682 -7.339 -3.280 1.00 0.00 H new ATOM 558 N VAL A 59 1.230 -4.568 -0.039 1.00 0.00 N ATOM 559 CA VAL A 59 -0.136 -4.421 -0.528 1.00 0.00 C ATOM 560 C VAL A 59 -0.198 -4.701 -2.027 1.00 0.00 C ATOM 561 O VAL A 59 0.597 -4.165 -2.803 1.00 0.00 O ATOM 562 CB VAL A 59 -0.701 -3.012 -0.234 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.133 -2.884 -0.739 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.641 -2.709 1.255 1.00 0.00 C ATOM 0 H VAL A 59 1.756 -3.696 0.024 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.751 -5.148 0.002 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.083 -2.286 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.508 -1.884 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.156 -3.053 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.761 -3.624 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.043 -1.713 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.231 -3.446 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.394 -2.751 1.593 1.00 0.00 H new ATOM 574 N CYS A 60 -1.129 -5.557 -2.429 1.00 0.00 N ATOM 575 CA CYS A 60 -1.295 -5.900 -3.832 1.00 0.00 C ATOM 576 C CYS A 60 -2.390 -5.029 -4.448 1.00 0.00 C ATOM 577 O CYS A 60 -3.265 -4.527 -3.740 1.00 0.00 O ATOM 578 CB CYS A 60 -1.643 -7.385 -3.975 1.00 0.00 C ATOM 579 SG CYS A 60 -1.358 -8.063 -5.643 1.00 0.00 S ATOM 0 H CYS A 60 -1.781 -6.026 -1.800 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.360 -5.715 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.053 -7.955 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.691 -7.528 -3.711 1.00 0.00 H new ATOM 584 N SER A 61 -2.341 -4.857 -5.764 1.00 0.00 N ATOM 585 CA SER A 61 -3.240 -3.939 -6.460 1.00 0.00 C ATOM 586 C SER A 61 -4.618 -4.552 -6.734 1.00 0.00 C ATOM 587 O SER A 61 -5.424 -3.975 -7.462 1.00 0.00 O ATOM 588 CB SER A 61 -2.591 -3.483 -7.768 1.00 0.00 C ATOM 589 OG SER A 61 -1.968 -4.571 -8.429 1.00 0.00 O ATOM 0 H SER A 61 -1.685 -5.344 -6.375 1.00 0.00 H new ATOM 0 HA SER A 61 -3.405 -3.083 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.346 -3.041 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.854 -2.707 -7.562 1.00 0.00 H new ATOM 0 HG SER A 61 -1.034 -4.638 -8.140 1.00 0.00 H new ATOM 595 N GLN A 62 -4.890 -5.711 -6.151 1.00 0.00 N ATOM 596 CA GLN A 62 -6.208 -6.327 -6.258 1.00 0.00 C ATOM 597 C GLN A 62 -6.906 -6.232 -4.901 1.00 0.00 C ATOM 598 O GLN A 62 -7.511 -7.187 -4.412 1.00 0.00 O ATOM 599 CB GLN A 62 -6.085 -7.787 -6.730 1.00 0.00 C ATOM 600 CG GLN A 62 -7.420 -8.470 -7.016 1.00 0.00 C ATOM 601 CD GLN A 62 -8.210 -7.806 -8.131 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.517 -7.252 -9.114 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -9.442 -7.808 -8.116 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.218 -6.244 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.806 -5.800 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.476 -7.814 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.553 -8.359 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.238 -9.512 -7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.021 -8.472 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.942 -8.245 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.962 -7.373 -8.878 1.00 0.00 H new ATOM 612 N SER A 63 -6.806 -5.064 -4.291 1.00 0.00 N ATOM 613 CA SER A 63 -7.348 -4.856 -2.965 1.00 0.00 C ATOM 614 C SER A 63 -8.517 -3.874 -3.012 1.00 0.00 C ATOM 615 O SER A 63 -8.544 -2.971 -3.853 1.00 0.00 O ATOM 616 CB SER A 63 -6.247 -4.333 -2.034 1.00 0.00 C ATOM 617 OG SER A 63 -6.636 -4.416 -0.675 1.00 0.00 O ATOM 0 H SER A 63 -6.353 -4.245 -4.696 1.00 0.00 H new ATOM 0 HA SER A 63 -7.718 -5.807 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.334 -4.909 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.017 -3.298 -2.286 1.00 0.00 H new ATOM 0 HG SER A 63 -7.048 -3.570 -0.400 1.00 0.00 H new ATOM 623 N TRP A 64 -9.484 -4.078 -2.116 1.00 0.00 N ATOM 624 CA TRP A 64 -10.655 -3.200 -1.977 1.00 0.00 C ATOM 625 C TRP A 64 -11.463 -3.110 -3.269 1.00 0.00 C ATOM 626 O TRP A 64 -12.222 -2.156 -3.463 1.00 0.00 O ATOM 627 CB TRP A 64 -10.232 -1.791 -1.545 1.00 0.00 C ATOM 628 CG TRP A 64 -9.407 -1.770 -0.296 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.802 -2.136 0.958 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.042 -1.352 -0.184 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.763 -1.978 1.841 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.674 -1.498 1.165 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.095 -0.875 -1.095 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.401 -1.182 1.624 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.832 -0.559 -0.636 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.495 -0.715 0.712 1.00 0.00 C ATOM 0 H TRP A 64 -9.480 -4.860 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.288 -3.644 -1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.666 -1.327 -2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.124 -1.184 -1.392 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.786 -2.497 1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.797 -2.185 2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.347 -0.756 -2.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.136 -1.301 2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.093 -0.185 -1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.498 -0.461 1.040 1.00 0.00 H new ATOM 647 N GLY A 65 -11.310 -4.101 -4.140 1.00 0.00 N ATOM 648 CA GLY A 65 -11.993 -4.074 -5.421 1.00 0.00 C ATOM 649 C GLY A 65 -11.600 -2.868 -6.255 1.00 0.00 C ATOM 650 O GLY A 65 -12.395 -2.367 -7.049 1.00 0.00 O ATOM 0 H GLY A 65 -10.726 -4.922 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.763 -4.986 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.070 -4.064 -5.256 1.00 0.00 H new ATOM 654 N ARG A 66 -10.378 -2.388 -6.063 1.00 0.00 N ATOM 655 CA ARG A 66 -9.881 -1.237 -6.802 1.00 0.00 C ATOM 656 C ARG A 66 -8.697 -1.648 -7.667 1.00 0.00 C ATOM 657 O ARG A 66 -7.541 -1.459 -7.286 1.00 0.00 O ATOM 658 CB ARG A 66 -9.464 -0.119 -5.839 1.00 0.00 C ATOM 659 CG ARG A 66 -10.580 0.364 -4.922 1.00 0.00 C ATOM 660 CD ARG A 66 -11.638 1.161 -5.677 1.00 0.00 C ATOM 661 NE ARG A 66 -12.674 1.676 -4.779 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.971 2.968 -4.649 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.315 3.877 -5.355 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.927 3.353 -3.819 1.00 0.00 N ATOM 0 H ARG A 66 -9.711 -2.781 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.680 -0.863 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.634 -0.473 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.095 0.726 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.049 -0.494 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.156 0.983 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.163 1.992 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.097 0.528 -6.436 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.200 1.005 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.580 3.588 -6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.545 4.865 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.440 2.659 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.151 4.344 -3.723 1.00 0.00 H new ATOM 677 N SER A 67 -8.990 -2.208 -8.826 1.00 0.00 N ATOM 678 CA SER A 67 -7.955 -2.718 -9.712 1.00 0.00 C ATOM 679 C SER A 67 -7.631 -1.729 -10.831 1.00 0.00 C ATOM 680 O SER A 67 -7.498 -2.110 -11.997 1.00 0.00 O ATOM 681 CB SER A 67 -8.394 -4.065 -10.288 1.00 0.00 C ATOM 682 OG SER A 67 -9.750 -4.022 -10.711 1.00 0.00 O ATOM 0 H SER A 67 -9.940 -2.322 -9.179 1.00 0.00 H new ATOM 0 HA SER A 67 -7.042 -2.854 -9.132 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.755 -4.330 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.269 -4.844 -9.536 1.00 0.00 H new ATOM 0 HG SER A 67 -10.006 -4.894 -11.077 1.00 0.00 H new ATOM 688 N SER A 68 -7.501 -0.462 -10.477 1.00 0.00 N ATOM 689 CA SER A 68 -7.155 0.564 -11.442 1.00 0.00 C ATOM 690 C SER A 68 -5.681 0.939 -11.284 1.00 0.00 C ATOM 691 O SER A 68 -5.079 0.696 -10.234 1.00 0.00 O ATOM 692 CB SER A 68 -8.048 1.790 -11.255 1.00 0.00 C ATOM 693 OG SER A 68 -7.918 2.685 -12.343 1.00 0.00 O ATOM 0 H SER A 68 -7.631 -0.120 -9.525 1.00 0.00 H new ATOM 0 HA SER A 68 -7.314 0.180 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.087 1.476 -11.161 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.783 2.299 -10.328 1.00 0.00 H new ATOM 0 HG SER A 68 -8.500 3.460 -12.200 1.00 0.00 H new ATOM 699 N LYS A 69 -5.104 1.523 -12.326 1.00 0.00 N ATOM 700 CA LYS A 69 -3.671 1.779 -12.357 1.00 0.00 C ATOM 701 C LYS A 69 -3.332 3.185 -11.872 1.00 0.00 C ATOM 702 O LYS A 69 -2.173 3.475 -11.570 1.00 0.00 O ATOM 703 CB LYS A 69 -3.125 1.562 -13.771 1.00 0.00 C ATOM 704 CG LYS A 69 -3.361 0.156 -14.304 1.00 0.00 C ATOM 705 CD LYS A 69 -2.726 -0.042 -15.670 1.00 0.00 C ATOM 706 CE LYS A 69 -3.053 -1.415 -16.238 1.00 0.00 C ATOM 707 NZ LYS A 69 -2.636 -2.519 -15.328 1.00 0.00 N ATOM 0 H LYS A 69 -5.606 1.828 -13.160 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.197 1.073 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.590 2.281 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.055 1.768 -13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.952 -0.572 -13.604 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.432 -0.033 -14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.080 0.730 -16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.645 0.073 -15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.125 -1.484 -16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.557 -1.535 -17.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.738 -3.430 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.643 -2.384 -15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.236 -2.514 -14.479 1.00 0.00 H new ATOM 720 N GLN A 70 -4.335 4.048 -11.792 1.00 0.00 N ATOM 721 CA GLN A 70 -4.126 5.414 -11.329 1.00 0.00 C ATOM 722 C GLN A 70 -5.466 6.090 -11.054 1.00 0.00 C ATOM 723 O GLN A 70 -6.439 5.857 -11.770 1.00 0.00 O ATOM 724 CB GLN A 70 -3.337 6.207 -12.376 1.00 0.00 C ATOM 725 CG GLN A 70 -2.826 7.551 -11.881 1.00 0.00 C ATOM 726 CD GLN A 70 -1.833 7.427 -10.734 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.116 6.312 -10.677 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -1.719 8.324 -9.899 1.00 0.00 N flip ATOM 0 H GLN A 70 -5.299 3.828 -12.041 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.554 5.388 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.489 5.608 -12.707 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.972 6.370 -13.247 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.352 8.080 -12.708 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.672 8.158 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.288 9.167 -9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.056 8.224 -9.130 1.00 0.00 H new ATOM 737 N TRP A 71 -5.512 6.915 -10.013 1.00 0.00 N ATOM 738 CA TRP A 71 -6.731 7.628 -9.651 1.00 0.00 C ATOM 739 C TRP A 71 -6.464 9.124 -9.563 1.00 0.00 C ATOM 740 O TRP A 71 -5.328 9.549 -9.359 1.00 0.00 O ATOM 741 CB TRP A 71 -7.270 7.135 -8.304 1.00 0.00 C ATOM 742 CG TRP A 71 -7.719 5.709 -8.317 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.967 4.611 -8.022 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.027 5.225 -8.640 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.728 3.475 -8.138 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.996 3.826 -8.517 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.220 5.842 -9.020 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -10.113 3.032 -8.760 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.329 5.054 -9.261 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.268 3.662 -9.130 1.00 0.00 C ATOM 0 H TRP A 71 -4.717 7.106 -9.404 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.473 7.435 -10.426 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.494 7.255 -7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.107 7.767 -8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.925 4.632 -7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.402 2.523 -7.969 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.275 6.916 -9.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.069 1.958 -8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.258 5.520 -9.555 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.152 3.073 -9.325 1.00 0.00 H new ATOM 761 N GLU A 72 -7.523 9.916 -9.697 1.00 0.00 N ATOM 762 CA GLU A 72 -7.416 11.367 -9.580 1.00 0.00 C ATOM 763 C GLU A 72 -7.599 11.769 -8.114 1.00 0.00 C ATOM 764 O GLU A 72 -8.201 12.794 -7.798 1.00 0.00 O ATOM 765 CB GLU A 72 -8.466 12.043 -10.477 1.00 0.00 C ATOM 766 CG GLU A 72 -8.006 13.347 -11.124 1.00 0.00 C ATOM 767 CD GLU A 72 -7.960 14.520 -10.164 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.014 15.163 -9.955 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.872 14.816 -9.631 1.00 0.00 O ATOM 0 H GLU A 72 -8.466 9.577 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.431 11.695 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.756 11.346 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.358 12.243 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.014 13.200 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.676 13.590 -11.949 1.00 0.00 H new ATOM 776 N ASP A 73 -7.098 10.919 -7.227 1.00 0.00 N ATOM 777 CA ASP A 73 -7.108 11.178 -5.792 1.00 0.00 C ATOM 778 C ASP A 73 -6.218 10.158 -5.090 1.00 0.00 C ATOM 779 O ASP A 73 -6.700 9.175 -4.529 1.00 0.00 O ATOM 780 CB ASP A 73 -8.523 11.100 -5.214 1.00 0.00 C ATOM 781 CG ASP A 73 -8.612 11.693 -3.816 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.917 11.206 -2.902 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.378 12.658 -3.627 1.00 0.00 O ATOM 0 H ASP A 73 -6.672 10.028 -7.483 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.732 12.188 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.212 11.628 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.844 10.059 -5.185 1.00 0.00 H new ATOM 788 N PRO A 74 -4.896 10.347 -5.154 1.00 0.00 N ATOM 789 CA PRO A 74 -3.941 9.463 -4.500 1.00 0.00 C ATOM 790 C PRO A 74 -3.725 9.848 -3.042 1.00 0.00 C ATOM 791 O PRO A 74 -3.010 9.173 -2.304 1.00 0.00 O ATOM 792 CB PRO A 74 -2.646 9.669 -5.305 1.00 0.00 C ATOM 793 CG PRO A 74 -2.965 10.695 -6.351 1.00 0.00 C ATOM 794 CD PRO A 74 -4.207 11.404 -5.893 1.00 0.00 C ATOM 0 HA PRO A 74 -4.282 8.428 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.836 10.009 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.319 8.735 -5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.140 11.397 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.124 10.223 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.979 12.263 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.800 11.772 -6.730 1.00 0.00 H new ATOM 802 N SER A 75 -4.373 10.927 -2.629 1.00 0.00 N ATOM 803 CA SER A 75 -4.165 11.484 -1.307 1.00 0.00 C ATOM 804 C SER A 75 -5.075 10.837 -0.264 1.00 0.00 C ATOM 805 O SER A 75 -5.250 11.369 0.829 1.00 0.00 O ATOM 806 CB SER A 75 -4.388 12.993 -1.342 1.00 0.00 C ATOM 807 OG SER A 75 -3.607 13.593 -2.364 1.00 0.00 O ATOM 0 H SER A 75 -5.051 11.435 -3.197 1.00 0.00 H new ATOM 0 HA SER A 75 -3.137 11.273 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.443 13.206 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.127 13.426 -0.377 1.00 0.00 H new ATOM 0 HG SER A 75 -3.765 14.560 -2.371 1.00 0.00 H new ATOM 813 N GLN A 76 -5.650 9.685 -0.591 1.00 0.00 N ATOM 814 CA GLN A 76 -6.420 8.927 0.389 1.00 0.00 C ATOM 815 C GLN A 76 -5.491 8.327 1.439 1.00 0.00 C ATOM 816 O GLN A 76 -5.921 7.961 2.529 1.00 0.00 O ATOM 817 CB GLN A 76 -7.234 7.819 -0.290 1.00 0.00 C ATOM 818 CG GLN A 76 -8.458 8.329 -1.038 1.00 0.00 C ATOM 819 CD GLN A 76 -9.458 9.026 -0.129 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.535 8.597 1.121 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -10.171 9.939 -0.548 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.599 9.259 -1.516 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.115 9.610 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.590 7.283 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.554 7.101 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.139 9.021 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.948 7.492 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.088 10.247 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.844 10.387 0.074 1.00 0.00 H new ATOM 830 N ALA A 77 -4.208 8.261 1.106 1.00 0.00 N ATOM 831 CA ALA A 77 -3.214 7.659 1.980 1.00 0.00 C ATOM 832 C ALA A 77 -2.202 8.695 2.463 1.00 0.00 C ATOM 833 O ALA A 77 -1.016 8.398 2.610 1.00 0.00 O ATOM 834 CB ALA A 77 -2.508 6.531 1.245 1.00 0.00 C ATOM 0 H ALA A 77 -3.831 8.621 0.229 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.721 7.258 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.763 6.080 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.237 5.776 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.017 6.927 0.356 1.00 0.00 H new ATOM 840 N SER A 78 -2.675 9.911 2.711 1.00 0.00 N ATOM 841 CA SER A 78 -1.805 10.995 3.160 1.00 0.00 C ATOM 842 C SER A 78 -1.057 10.631 4.443 1.00 0.00 C ATOM 843 O SER A 78 0.112 10.982 4.603 1.00 0.00 O ATOM 844 CB SER A 78 -2.615 12.274 3.373 1.00 0.00 C ATOM 845 OG SER A 78 -3.276 12.658 2.178 1.00 0.00 O ATOM 0 H SER A 78 -3.656 10.172 2.609 1.00 0.00 H new ATOM 0 HA SER A 78 -1.064 11.162 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.348 12.118 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.955 13.077 3.703 1.00 0.00 H new ATOM 0 HG SER A 78 -3.975 12.005 1.966 1.00 0.00 H new ATOM 851 N LYS A 79 -1.725 9.911 5.345 1.00 0.00 N ATOM 852 CA LYS A 79 -1.122 9.545 6.624 1.00 0.00 C ATOM 853 C LYS A 79 0.040 8.573 6.442 1.00 0.00 C ATOM 854 O LYS A 79 0.915 8.480 7.302 1.00 0.00 O ATOM 855 CB LYS A 79 -2.167 8.959 7.575 1.00 0.00 C ATOM 856 CG LYS A 79 -3.235 9.957 7.991 1.00 0.00 C ATOM 857 CD LYS A 79 -4.099 9.413 9.115 1.00 0.00 C ATOM 858 CE LYS A 79 -5.093 10.455 9.605 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.419 11.714 10.024 1.00 0.00 N ATOM 0 H LYS A 79 -2.678 9.572 5.214 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.725 10.458 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.646 8.106 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.665 8.583 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.762 10.885 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.862 10.199 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.636 8.530 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.465 9.096 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.809 10.673 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.659 10.050 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.063 12.270 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.559 11.485 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.163 12.268 9.182 1.00 0.00 H new ATOM 872 N VAL A 80 0.059 7.862 5.321 1.00 0.00 N ATOM 873 CA VAL A 80 1.187 6.999 4.998 1.00 0.00 C ATOM 874 C VAL A 80 2.432 7.852 4.805 1.00 0.00 C ATOM 875 O VAL A 80 3.463 7.624 5.437 1.00 0.00 O ATOM 876 CB VAL A 80 0.932 6.160 3.723 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.186 5.398 3.310 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.228 5.198 3.940 1.00 0.00 C ATOM 0 H VAL A 80 -0.688 7.866 4.626 1.00 0.00 H new ATOM 0 HA VAL A 80 1.324 6.304 5.827 1.00 0.00 H new ATOM 0 HB VAL A 80 0.670 6.844 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.979 4.817 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.991 6.105 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.486 4.727 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.393 4.616 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.007 4.525 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.129 5.763 4.178 1.00 0.00 H new ATOM 888 N CYS A 81 2.309 8.863 3.958 1.00 0.00 N ATOM 889 CA CYS A 81 3.406 9.782 3.703 1.00 0.00 C ATOM 890 C CYS A 81 3.806 10.516 4.981 1.00 0.00 C ATOM 891 O CYS A 81 4.985 10.777 5.216 1.00 0.00 O ATOM 892 CB CYS A 81 3.002 10.785 2.624 1.00 0.00 C ATOM 893 SG CYS A 81 2.495 10.019 1.050 1.00 0.00 S ATOM 0 H CYS A 81 1.458 9.067 3.435 1.00 0.00 H new ATOM 0 HA CYS A 81 4.266 9.209 3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.181 11.396 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.839 11.457 2.436 1.00 0.00 H new ATOM 898 N GLN A 82 2.818 10.831 5.815 1.00 0.00 N ATOM 899 CA GLN A 82 3.071 11.500 7.087 1.00 0.00 C ATOM 900 C GLN A 82 3.895 10.614 8.017 1.00 0.00 C ATOM 901 O GLN A 82 4.808 11.087 8.690 1.00 0.00 O ATOM 902 CB GLN A 82 1.757 11.889 7.767 1.00 0.00 C ATOM 903 CG GLN A 82 0.947 12.913 6.988 1.00 0.00 C ATOM 904 CD GLN A 82 1.727 14.184 6.723 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.597 14.569 7.507 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.426 14.842 5.616 1.00 0.00 N ATOM 0 H GLN A 82 1.834 10.633 5.632 1.00 0.00 H new ATOM 0 HA GLN A 82 3.639 12.406 6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.153 10.993 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.975 12.288 8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.633 12.478 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.041 13.155 7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.699 14.488 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.921 15.703 5.384 1.00 0.00 H new ATOM 915 N ARG A 83 3.580 9.325 8.034 1.00 0.00 N ATOM 916 CA ARG A 83 4.310 8.370 8.859 1.00 0.00 C ATOM 917 C ARG A 83 5.770 8.262 8.428 1.00 0.00 C ATOM 918 O ARG A 83 6.643 7.975 9.246 1.00 0.00 O ATOM 919 CB ARG A 83 3.639 6.993 8.822 1.00 0.00 C ATOM 920 CG ARG A 83 2.633 6.777 9.942 1.00 0.00 C ATOM 921 CD ARG A 83 3.336 6.654 11.285 1.00 0.00 C ATOM 922 NE ARG A 83 2.403 6.539 12.403 1.00 0.00 N ATOM 923 CZ ARG A 83 2.762 6.128 13.614 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.000 5.710 13.836 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.885 6.108 14.603 1.00 0.00 N ATOM 0 H ARG A 83 2.823 8.916 7.486 1.00 0.00 H new ATOM 0 HA ARG A 83 4.289 8.739 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.135 6.869 7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.407 6.222 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.929 7.609 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.053 5.875 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.988 5.781 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.973 7.525 11.438 1.00 0.00 H new ATOM 0 HE ARG A 83 1.426 6.787 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.680 5.703 13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.273 5.395 14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.924 6.410 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.169 5.791 15.530 1.00 0.00 H new ATOM 938 N LEU A 84 6.033 8.503 7.152 1.00 0.00 N ATOM 939 CA LEU A 84 7.401 8.500 6.648 1.00 0.00 C ATOM 940 C LEU A 84 8.014 9.899 6.719 1.00 0.00 C ATOM 941 O LEU A 84 9.180 10.094 6.374 1.00 0.00 O ATOM 942 CB LEU A 84 7.462 7.973 5.212 1.00 0.00 C ATOM 943 CG LEU A 84 7.416 6.447 5.061 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.050 5.891 5.433 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.780 6.043 3.644 1.00 0.00 C ATOM 0 H LEU A 84 5.322 8.702 6.449 1.00 0.00 H new ATOM 0 HA LEU A 84 7.981 7.832 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.630 8.400 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.379 8.338 4.749 1.00 0.00 H new ATOM 0 HG LEU A 84 8.148 6.024 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.054 4.807 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.825 6.142 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.291 6.325 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.742 4.957 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.073 6.490 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.787 6.392 3.414 1.00 0.00 H new ATOM 957 N ASN A 85 7.211 10.860 7.186 1.00 0.00 N ATOM 958 CA ASN A 85 7.631 12.260 7.326 1.00 0.00 C ATOM 959 C ASN A 85 7.909 12.894 5.968 1.00 0.00 C ATOM 960 O ASN A 85 8.863 13.651 5.804 1.00 0.00 O ATOM 961 CB ASN A 85 8.858 12.393 8.243 1.00 0.00 C ATOM 962 CG ASN A 85 8.515 12.260 9.718 1.00 0.00 C ATOM 963 OD1 ASN A 85 7.495 11.474 10.028 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 9.162 12.867 10.574 1.00 0.00 N flip ATOM 0 H ASN A 85 6.249 10.690 7.479 1.00 0.00 H new ATOM 0 HA ASN A 85 6.804 12.797 7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.589 11.630 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.330 13.360 8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.941 13.463 10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.918 12.773 11.560 1.00 0.00 H new ATOM 971 N CYS A 86 7.054 12.591 5.004 1.00 0.00 N ATOM 972 CA CYS A 86 7.183 13.129 3.659 1.00 0.00 C ATOM 973 C CYS A 86 6.044 14.105 3.380 1.00 0.00 C ATOM 974 O CYS A 86 5.224 14.368 4.263 1.00 0.00 O ATOM 975 CB CYS A 86 7.162 11.987 2.640 1.00 0.00 C ATOM 976 SG CYS A 86 8.266 10.603 3.066 1.00 0.00 S ATOM 0 H CYS A 86 6.256 11.969 5.130 1.00 0.00 H new ATOM 0 HA CYS A 86 8.131 13.661 3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.143 11.612 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.446 12.379 1.663 1.00 0.00 H new ATOM 981 N GLY A 87 6.001 14.652 2.173 1.00 0.00 N ATOM 982 CA GLY A 87 4.907 15.529 1.795 1.00 0.00 C ATOM 983 C GLY A 87 3.655 14.757 1.404 1.00 0.00 C ATOM 984 O GLY A 87 3.463 13.622 1.839 1.00 0.00 O ATOM 0 H GLY A 87 6.703 14.505 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.675 16.196 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.219 16.157 0.960 1.00 0.00 H new ATOM 988 N ASP A 88 2.805 15.366 0.586 1.00 0.00 N ATOM 989 CA ASP A 88 1.553 14.737 0.168 1.00 0.00 C ATOM 990 C ASP A 88 1.810 13.622 -0.846 1.00 0.00 C ATOM 991 O ASP A 88 2.860 13.588 -1.497 1.00 0.00 O ATOM 992 CB ASP A 88 0.581 15.778 -0.418 1.00 0.00 C ATOM 993 CG ASP A 88 0.992 16.312 -1.778 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.724 17.325 -1.829 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.550 15.751 -2.803 1.00 0.00 O ATOM 0 H ASP A 88 2.958 16.296 0.197 1.00 0.00 H new ATOM 0 HA ASP A 88 1.094 14.297 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.409 15.329 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.496 16.613 0.278 1.00 0.00 H new ATOM 1000 N PRO A 89 0.864 12.671 -0.961 1.00 0.00 N ATOM 1001 CA PRO A 89 0.970 11.559 -1.900 1.00 0.00 C ATOM 1002 C PRO A 89 0.727 12.000 -3.342 1.00 0.00 C ATOM 1003 O PRO A 89 -0.382 12.397 -3.706 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.123 10.574 -1.456 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.725 11.142 -0.212 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.379 12.603 -0.185 1.00 0.00 C ATOM 0 HA PRO A 89 1.970 11.125 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.878 10.456 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.298 9.586 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.806 11.001 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.334 10.637 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.166 13.211 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.237 12.964 0.834 1.00 0.00 H new ATOM 1014 N LEU A 90 1.773 11.913 -4.150 1.00 0.00 N ATOM 1015 CA LEU A 90 1.727 12.329 -5.547 1.00 0.00 C ATOM 1016 C LEU A 90 1.003 11.303 -6.405 1.00 0.00 C ATOM 1017 O LEU A 90 0.202 11.651 -7.273 1.00 0.00 O ATOM 1018 CB LEU A 90 3.150 12.507 -6.088 1.00 0.00 C ATOM 1019 CG LEU A 90 4.004 13.566 -5.390 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.444 13.485 -5.876 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.440 14.957 -5.636 1.00 0.00 C ATOM 0 H LEU A 90 2.680 11.551 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 90 1.185 13.274 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.666 11.549 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.086 12.760 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 90 3.985 13.373 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.042 14.244 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.848 12.498 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.475 13.655 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.062 15.696 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.430 15.162 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.423 15.011 -5.247 1.00 0.00 H new ATOM 1033 N SER A 91 1.288 10.035 -6.162 1.00 0.00 N ATOM 1034 CA SER A 91 0.757 8.970 -6.996 1.00 0.00 C ATOM 1035 C SER A 91 0.525 7.711 -6.174 1.00 0.00 C ATOM 1036 O SER A 91 1.205 7.479 -5.171 1.00 0.00 O ATOM 1037 CB SER A 91 1.721 8.675 -8.151 1.00 0.00 C ATOM 1038 OG SER A 91 1.180 7.718 -9.046 1.00 0.00 O ATOM 0 H SER A 91 1.883 9.718 -5.396 1.00 0.00 H new ATOM 0 HA SER A 91 -0.199 9.296 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.938 9.597 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.667 8.308 -7.752 1.00 0.00 H new ATOM 0 HG SER A 91 1.817 7.552 -9.772 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.441 6.910 -6.607 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.767 5.652 -5.951 1.00 0.00 C ATOM 1046 C LEU A 92 -1.360 4.694 -6.980 1.00 0.00 C ATOM 1047 O LEU A 92 -2.305 5.046 -7.687 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.754 5.900 -4.799 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.993 4.719 -3.846 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.450 5.231 -2.490 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.034 3.756 -4.409 1.00 0.00 C ATOM 0 H LEU A 92 -1.019 7.115 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 92 0.135 5.207 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.392 6.745 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.712 6.195 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.052 4.180 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.617 4.388 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.683 5.882 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.378 5.791 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.181 2.931 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.977 4.283 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.688 3.365 -5.366 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.788 3.502 -7.085 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.292 2.515 -8.026 1.00 0.00 C ATOM 1065 C GLY A 93 -0.328 1.357 -8.215 1.00 0.00 C ATOM 1066 O GLY A 93 0.690 1.291 -7.532 1.00 0.00 O ATOM 0 H GLY A 93 0.016 3.199 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.250 2.134 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.475 2.993 -8.988 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.629 0.413 -9.125 1.00 0.00 N ATOM 1071 CA PRO A 94 0.260 -0.719 -9.425 1.00 0.00 C ATOM 1072 C PRO A 94 1.604 -0.250 -9.979 1.00 0.00 C ATOM 1073 O PRO A 94 1.708 0.117 -11.151 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.505 -1.519 -10.491 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.917 -1.057 -10.390 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.855 0.374 -9.934 1.00 0.00 C ATOM 0 HA PRO A 94 0.493 -1.301 -8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.101 -1.335 -11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.428 -2.591 -10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.423 -1.138 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.477 -1.668 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.804 1.064 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.733 0.649 -9.349 1.00 0.00 H new ATOM 1084 N PHE A 95 2.631 -0.280 -9.140 1.00 0.00 N ATOM 1085 CA PHE A 95 3.910 0.318 -9.493 1.00 0.00 C ATOM 1086 C PHE A 95 4.910 -0.724 -9.980 1.00 0.00 C ATOM 1087 O PHE A 95 5.258 -0.759 -11.161 1.00 0.00 O ATOM 1088 CB PHE A 95 4.488 1.072 -8.289 1.00 0.00 C ATOM 1089 CG PHE A 95 5.692 1.910 -8.614 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.548 3.150 -9.217 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.970 1.462 -8.313 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.652 3.925 -9.514 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.077 2.233 -8.609 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.918 3.465 -9.211 1.00 0.00 C ATOM 0 H PHE A 95 2.603 -0.710 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 95 3.732 1.015 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.714 1.714 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.757 0.351 -7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.560 3.515 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.101 0.499 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.525 4.890 -9.983 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.066 1.872 -8.370 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.783 4.068 -9.445 1.00 0.00 H new ATOM 1104 N LEU A 96 5.355 -1.583 -9.075 1.00 0.00 N ATOM 1105 CA LEU A 96 6.464 -2.479 -9.371 1.00 0.00 C ATOM 1106 C LEU A 96 6.014 -3.936 -9.397 1.00 0.00 C ATOM 1107 O LEU A 96 5.045 -4.317 -8.732 1.00 0.00 O ATOM 1108 CB LEU A 96 7.579 -2.288 -8.336 1.00 0.00 C ATOM 1109 CG LEU A 96 8.903 -2.985 -8.667 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.457 -2.482 -9.995 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.911 -2.764 -7.550 1.00 0.00 C ATOM 0 H LEU A 96 4.969 -1.679 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 96 6.843 -2.231 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.768 -1.221 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.225 -2.654 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 96 8.716 -4.055 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.397 -2.989 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.741 -2.689 -10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.630 -1.408 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.846 -3.265 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.092 -1.696 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.518 -3.172 -6.619 1.00 0.00 H new ATOM 1123 N LYS A 97 6.717 -4.739 -10.184 1.00 0.00 N ATOM 1124 CA LYS A 97 6.444 -6.163 -10.277 1.00 0.00 C ATOM 1125 C LYS A 97 7.449 -6.930 -9.430 1.00 0.00 C ATOM 1126 O LYS A 97 8.639 -6.606 -9.420 1.00 0.00 O ATOM 1127 CB LYS A 97 6.531 -6.667 -11.731 1.00 0.00 C ATOM 1128 CG LYS A 97 5.647 -5.936 -12.735 1.00 0.00 C ATOM 1129 CD LYS A 97 6.246 -4.604 -13.157 1.00 0.00 C ATOM 1130 CE LYS A 97 5.488 -3.990 -14.322 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.554 -4.844 -15.539 1.00 0.00 N ATOM 0 H LYS A 97 7.488 -4.422 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 97 5.430 -6.330 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.567 -6.590 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.269 -7.725 -11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.502 -6.563 -13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.663 -5.769 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.234 -3.916 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.290 -4.747 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.446 -3.841 -14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.901 -3.006 -14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.336 -4.270 -16.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.510 -5.243 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.862 -5.616 -15.459 1.00 0.00 H new ATOM 1144 N THR A 98 6.969 -7.934 -8.719 1.00 0.00 N ATOM 1145 CA THR A 98 7.832 -8.806 -7.945 1.00 0.00 C ATOM 1146 C THR A 98 7.274 -10.223 -7.992 1.00 0.00 C ATOM 1147 O THR A 98 6.064 -10.413 -8.147 1.00 0.00 O ATOM 1148 CB THR A 98 7.970 -8.326 -6.480 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.953 -9.112 -5.788 1.00 0.00 O ATOM 1150 CG2 THR A 98 6.638 -8.412 -5.748 1.00 0.00 C ATOM 0 H THR A 98 5.977 -8.166 -8.662 1.00 0.00 H new ATOM 0 HA THR A 98 8.830 -8.785 -8.382 1.00 0.00 H new ATOM 0 HB THR A 98 8.289 -7.284 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.032 -8.797 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.764 -8.069 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.904 -7.784 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.291 -9.445 -5.745 1.00 0.00 H new ATOM 1158 N TYR A 99 8.145 -11.212 -7.879 1.00 0.00 N ATOM 1159 CA TYR A 99 7.739 -12.598 -8.044 1.00 0.00 C ATOM 1160 C TYR A 99 7.770 -13.335 -6.713 1.00 0.00 C ATOM 1161 O TYR A 99 8.480 -14.327 -6.543 1.00 0.00 O ATOM 1162 CB TYR A 99 8.634 -13.288 -9.080 1.00 0.00 C ATOM 1163 CG TYR A 99 8.643 -12.576 -10.419 1.00 0.00 C ATOM 1164 CD1 TYR A 99 7.552 -12.651 -11.275 1.00 0.00 C ATOM 1165 CD2 TYR A 99 9.740 -11.820 -10.824 1.00 0.00 C ATOM 1166 CE1 TYR A 99 7.551 -11.999 -12.492 1.00 0.00 C ATOM 1167 CE2 TYR A 99 9.746 -11.166 -12.041 1.00 0.00 C ATOM 1168 CZ TYR A 99 8.649 -11.257 -12.870 1.00 0.00 C ATOM 1169 OH TYR A 99 8.653 -10.610 -14.085 1.00 0.00 O ATOM 0 H TYR A 99 9.136 -11.082 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 99 6.712 -12.620 -8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.652 -13.341 -8.695 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.293 -14.314 -9.222 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.688 -13.230 -10.983 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.601 -11.744 -10.176 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.694 -12.070 -13.145 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.606 -10.586 -12.341 1.00 0.00 H new ATOM 0 HH TYR A 99 9.500 -10.131 -14.198 1.00 0.00 H new ATOM 1179 N THR A 100 7.008 -12.825 -5.762 1.00 0.00 N ATOM 1180 CA THR A 100 6.850 -13.473 -4.472 1.00 0.00 C ATOM 1181 C THR A 100 5.414 -13.287 -3.972 1.00 0.00 C ATOM 1182 O THR A 100 5.134 -12.420 -3.142 1.00 0.00 O ATOM 1183 CB THR A 100 7.852 -12.918 -3.435 1.00 0.00 C ATOM 1184 OG1 THR A 100 9.182 -12.980 -3.970 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.791 -13.711 -2.136 1.00 0.00 C ATOM 0 H THR A 100 6.484 -11.955 -5.861 1.00 0.00 H new ATOM 0 HA THR A 100 7.057 -14.536 -4.597 1.00 0.00 H new ATOM 0 HB THR A 100 7.585 -11.883 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.816 -12.626 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.506 -13.299 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.786 -13.648 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.037 -14.754 -2.335 1.00 0.00 H new ATOM 1193 N PRO A 101 4.478 -14.101 -4.490 1.00 0.00 N ATOM 1194 CA PRO A 101 3.056 -14.007 -4.157 1.00 0.00 C ATOM 1195 C PRO A 101 2.737 -14.630 -2.801 1.00 0.00 C ATOM 1196 O PRO A 101 1.920 -15.546 -2.698 1.00 0.00 O ATOM 1197 CB PRO A 101 2.356 -14.789 -5.286 1.00 0.00 C ATOM 1198 CG PRO A 101 3.440 -15.226 -6.223 1.00 0.00 C ATOM 1199 CD PRO A 101 4.722 -15.185 -5.443 1.00 0.00 C ATOM 0 HA PRO A 101 2.729 -12.970 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.815 -15.648 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.626 -14.163 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.246 -16.231 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.492 -14.567 -7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.921 -16.131 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.580 -14.978 -6.083 1.00 0.00 H new ATOM 1207 N GLN A 102 3.390 -14.133 -1.765 1.00 0.00 N ATOM 1208 CA GLN A 102 3.164 -14.625 -0.417 1.00 0.00 C ATOM 1209 C GLN A 102 3.265 -13.484 0.584 1.00 0.00 C ATOM 1210 O GLN A 102 2.472 -13.390 1.518 1.00 0.00 O ATOM 1211 CB GLN A 102 4.170 -15.724 -0.064 1.00 0.00 C ATOM 1212 CG GLN A 102 3.853 -16.435 1.244 1.00 0.00 C ATOM 1213 CD GLN A 102 2.728 -17.456 1.128 1.00 0.00 C ATOM 1214 OE1 GLN A 102 1.826 -17.270 0.174 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 2.684 -18.423 1.889 1.00 0.00 N flip ATOM 0 H GLN A 102 4.083 -13.387 -1.832 1.00 0.00 H new ATOM 0 HA GLN A 102 2.161 -15.048 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.195 -16.457 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.167 -15.287 0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.752 -16.937 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.582 -15.693 1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.394 -18.536 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.937 -19.112 1.796 1.00 0.00 H new ATOM 1224 N SER A 103 4.241 -12.613 0.374 1.00 0.00 N ATOM 1225 CA SER A 103 4.423 -11.451 1.224 1.00 0.00 C ATOM 1226 C SER A 103 3.418 -10.362 0.864 1.00 0.00 C ATOM 1227 O SER A 103 3.265 -9.373 1.582 1.00 0.00 O ATOM 1228 CB SER A 103 5.854 -10.938 1.078 1.00 0.00 C ATOM 1229 OG SER A 103 6.239 -10.911 -0.287 1.00 0.00 O ATOM 0 H SER A 103 4.921 -12.692 -0.382 1.00 0.00 H new ATOM 0 HA SER A 103 4.250 -11.733 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.932 -9.937 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.534 -11.577 1.641 1.00 0.00 H new ATOM 0 HG SER A 103 6.294 -9.982 -0.593 1.00 0.00 H new ATOM 1235 N SER A 104 2.738 -10.557 -0.255 1.00 0.00 N ATOM 1236 CA SER A 104 1.723 -9.628 -0.712 1.00 0.00 C ATOM 1237 C SER A 104 0.348 -10.003 -0.152 1.00 0.00 C ATOM 1238 O SER A 104 0.018 -11.187 -0.014 1.00 0.00 O ATOM 1239 CB SER A 104 1.706 -9.616 -2.240 1.00 0.00 C ATOM 1240 OG SER A 104 1.712 -10.938 -2.758 1.00 0.00 O ATOM 0 H SER A 104 2.875 -11.361 -0.868 1.00 0.00 H new ATOM 0 HA SER A 104 1.961 -8.628 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.821 -9.087 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.573 -9.071 -2.613 1.00 0.00 H new ATOM 0 HG SER A 104 1.282 -10.946 -3.639 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.448 -8.993 0.176 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.761 -9.210 0.763 1.00 0.00 C ATOM 1248 C ILE A 105 -2.865 -8.541 -0.047 1.00 0.00 C ATOM 1249 O ILE A 105 -2.632 -7.568 -0.771 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.839 -8.694 2.218 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.375 -7.232 2.297 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.031 -9.588 3.152 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.562 -6.598 3.659 1.00 0.00 C ATOM 0 H ILE A 105 -0.204 -8.011 0.044 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.911 -10.290 0.756 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.878 -8.731 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.320 -7.181 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.923 -6.648 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.100 -9.206 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.427 -10.603 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.012 -9.595 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.210 -5.567 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.619 -6.614 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.992 -7.156 4.402 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.060 -9.091 0.083 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.267 -8.515 -0.484 1.00 0.00 C ATOM 1267 C ILE A 106 -6.231 -8.189 0.648 1.00 0.00 C ATOM 1268 O ILE A 106 -6.468 -9.022 1.527 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.940 -9.477 -1.500 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.356 -9.271 -2.897 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.454 -9.300 -1.523 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.818 -10.303 -3.908 1.00 0.00 C ATOM 0 H ILE A 106 -4.221 -9.960 0.591 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.000 -7.608 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.732 -10.497 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.630 -8.278 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.268 -9.298 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.890 -9.990 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.860 -9.507 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.696 -8.276 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.363 -10.093 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.520 -11.297 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.903 -10.261 -4.000 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.763 -6.980 0.649 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.681 -6.578 1.693 1.00 0.00 C ATOM 1286 C CYS A 107 -9.034 -6.234 1.090 1.00 0.00 C ATOM 1287 O CYS A 107 -9.125 -5.851 -0.077 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.117 -5.385 2.467 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.562 -5.384 4.232 1.00 0.00 S ATOM 0 H CYS A 107 -6.576 -6.267 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.810 -7.407 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.031 -5.384 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.477 -4.463 2.010 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.083 -6.384 1.879 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.431 -6.143 1.404 1.00 0.00 C ATOM 1296 C TYR A 108 -12.226 -5.374 2.447 1.00 0.00 C ATOM 1297 O TYR A 108 -11.785 -5.224 3.586 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.122 -7.470 1.056 1.00 0.00 C ATOM 1299 CG TYR A 108 -12.019 -8.522 2.140 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.941 -8.573 3.180 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -11.000 -9.468 2.122 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.849 -9.531 4.168 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.904 -10.431 3.104 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.830 -10.457 4.125 1.00 0.00 C ATOM 1305 OH TYR A 108 -11.740 -11.416 5.104 1.00 0.00 O ATOM 0 H TYR A 108 -10.025 -6.673 2.856 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.382 -5.539 0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.175 -7.276 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.686 -7.865 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.743 -7.850 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.271 -9.448 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.571 -9.555 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.108 -11.161 3.074 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.032 -11.173 5.736 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.390 -4.884 2.052 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.207 -4.103 2.952 1.00 0.00 C ATOM 1317 C GLY A 109 -14.394 -2.692 2.446 1.00 0.00 C ATOM 1318 O GLY A 109 -15.171 -2.455 1.521 1.00 0.00 O ATOM 0 H GLY A 109 -13.784 -5.015 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.180 -4.581 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.743 -4.079 3.938 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.659 -1.757 3.030 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.746 -0.360 2.640 1.00 0.00 C ATOM 1324 C GLN A 110 -12.364 0.159 2.261 1.00 0.00 C ATOM 1325 O GLN A 110 -11.377 -0.147 2.935 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.323 0.481 3.784 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.670 -0.006 4.316 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.840 0.201 3.360 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.598 0.121 2.062 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -17.971 0.415 3.797 1.00 0.00 N flip ATOM 0 H GLN A 110 -12.993 -1.943 3.779 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.409 -0.279 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.606 0.494 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.433 1.510 3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.592 -1.068 4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.885 0.511 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.127 0.471 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.752 0.536 3.153 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.306 0.922 1.170 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.058 1.502 0.678 1.00 0.00 C ATOM 1341 C LEU A 111 -10.326 2.267 1.774 1.00 0.00 C ATOM 1342 O LEU A 111 -10.826 3.268 2.295 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.339 2.429 -0.510 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.127 3.200 -1.044 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.057 2.247 -1.551 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.546 4.155 -2.148 1.00 0.00 C ATOM 0 H LEU A 111 -13.122 1.155 0.604 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.416 0.683 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.756 1.834 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.104 3.147 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.708 3.779 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.208 2.819 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.729 1.601 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.466 1.636 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.672 4.693 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.994 3.591 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.273 4.867 -1.757 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.142 1.780 2.123 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.333 2.434 3.128 1.00 0.00 C ATOM 1360 C GLY A 112 -8.278 1.657 4.423 1.00 0.00 C ATOM 1361 O GLY A 112 -7.449 1.938 5.294 1.00 0.00 O ATOM 0 H GLY A 112 -8.727 0.938 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.321 2.567 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.734 3.429 3.322 1.00 0.00 H new ATOM 1365 N SER A 113 -9.161 0.681 4.560 1.00 0.00 N ATOM 1366 CA SER A 113 -9.226 -0.108 5.772 1.00 0.00 C ATOM 1367 C SER A 113 -8.492 -1.435 5.594 1.00 0.00 C ATOM 1368 O SER A 113 -8.685 -2.143 4.605 1.00 0.00 O ATOM 1369 CB SER A 113 -10.685 -0.350 6.167 1.00 0.00 C ATOM 1370 OG SER A 113 -10.792 -0.788 7.512 1.00 0.00 O ATOM 0 H SER A 113 -9.840 0.419 3.846 1.00 0.00 H new ATOM 0 HA SER A 113 -8.735 0.446 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.256 0.569 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.124 -1.096 5.504 1.00 0.00 H new ATOM 0 HG SER A 113 -10.301 -0.173 8.096 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.654 -1.752 6.566 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.894 -2.992 6.580 1.00 0.00 C ATOM 1378 C PHE A 114 -7.366 -3.851 7.747 1.00 0.00 C ATOM 1379 O PHE A 114 -6.563 -4.476 8.438 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.392 -2.710 6.731 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.774 -1.966 5.580 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.793 -0.581 5.543 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.160 -2.652 4.544 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.216 0.105 4.494 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.579 -1.969 3.494 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.607 -0.589 3.469 1.00 0.00 C ATOM 0 H PHE A 114 -7.480 -1.153 7.373 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.055 -3.514 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.234 -2.136 7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.869 -3.658 6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.265 -0.032 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.136 -3.732 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.241 1.185 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.103 -2.514 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.153 -0.054 2.648 1.00 0.00 H new ATOM 1396 N SER A 115 -8.674 -3.846 7.973 1.00 0.00 N ATOM 1397 CA SER A 115 -9.269 -4.519 9.124 1.00 0.00 C ATOM 1398 C SER A 115 -8.974 -6.019 9.100 1.00 0.00 C ATOM 1399 O SER A 115 -8.623 -6.607 10.125 1.00 0.00 O ATOM 1400 CB SER A 115 -10.783 -4.276 9.149 1.00 0.00 C ATOM 1401 OG SER A 115 -11.364 -4.727 10.361 1.00 0.00 O ATOM 0 H SER A 115 -9.350 -3.379 7.368 1.00 0.00 H new ATOM 0 HA SER A 115 -8.825 -4.104 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.983 -3.212 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.249 -4.790 8.308 1.00 0.00 H new ATOM 0 HG SER A 115 -12.329 -4.556 10.345 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.113 -6.632 7.932 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.832 -8.053 7.784 1.00 0.00 C ATOM 1409 C ASN A 116 -8.359 -8.351 6.369 1.00 0.00 C ATOM 1410 O ASN A 116 -9.166 -8.554 5.459 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.067 -8.896 8.111 1.00 0.00 C ATOM 1412 CG ASN A 116 -9.744 -10.376 8.212 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.835 -11.086 7.102 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -9.424 -10.881 9.287 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.418 -6.169 7.076 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.043 -8.316 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.498 -8.555 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.823 -8.743 7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.364 -10.302 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -9.219 -11.879 9.341 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.051 -8.364 6.184 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.474 -8.644 4.882 1.00 0.00 C ATOM 1423 C CYS A 117 -5.823 -10.024 4.898 1.00 0.00 C ATOM 1424 O CYS A 117 -5.329 -10.470 5.935 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.437 -7.575 4.526 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.832 -5.909 5.161 1.00 0.00 S ATOM 0 H CYS A 117 -6.368 -8.184 6.920 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.262 -8.629 4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.467 -7.881 4.918 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.341 -7.525 3.441 1.00 0.00 H new ATOM 1431 N SER A 118 -5.824 -10.697 3.760 1.00 0.00 N ATOM 1432 CA SER A 118 -5.274 -12.040 3.677 1.00 0.00 C ATOM 1433 C SER A 118 -4.203 -12.102 2.592 1.00 0.00 C ATOM 1434 O SER A 118 -3.979 -11.120 1.885 1.00 0.00 O ATOM 1435 CB SER A 118 -6.392 -13.049 3.395 1.00 0.00 C ATOM 1436 OG SER A 118 -5.949 -14.383 3.582 1.00 0.00 O ATOM 0 H SER A 118 -6.199 -10.337 2.882 1.00 0.00 H new ATOM 0 HA SER A 118 -4.812 -12.296 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.238 -12.850 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.748 -12.923 2.372 1.00 0.00 H new ATOM 0 HG SER A 118 -6.686 -15.002 3.396 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.544 -13.248 2.464 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.498 -13.417 1.461 1.00 0.00 C ATOM 1444 C HIS A 119 -3.069 -13.258 0.055 1.00 0.00 C ATOM 1445 O HIS A 119 -4.169 -13.738 -0.242 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.812 -14.780 1.603 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.905 -14.883 2.795 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.605 -16.080 3.407 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.214 -13.934 3.473 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.225 -15.867 4.409 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.482 -14.572 4.471 1.00 0.00 N ATOM 0 H HIS A 119 -3.714 -14.072 3.040 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.751 -12.640 1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.576 -15.555 1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.234 -14.981 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.211 -12.874 3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.627 -16.623 5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.096 -14.120 5.149 1.00 0.00 H new ATOM 1459 N SER A 120 -2.319 -12.585 -0.805 1.00 0.00 N ATOM 1460 CA SER A 120 -2.773 -12.293 -2.153 1.00 0.00 C ATOM 1461 C SER A 120 -2.565 -13.496 -3.071 1.00 0.00 C ATOM 1462 O SER A 120 -1.797 -13.439 -4.034 1.00 0.00 O ATOM 1463 CB SER A 120 -2.035 -11.068 -2.698 1.00 0.00 C ATOM 1464 OG SER A 120 -2.523 -10.695 -3.974 1.00 0.00 O ATOM 0 H SER A 120 -1.388 -12.230 -0.589 1.00 0.00 H new ATOM 0 HA SER A 120 -3.841 -12.077 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.150 -10.234 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.969 -11.283 -2.764 1.00 0.00 H new ATOM 0 HG SER A 120 -1.854 -10.145 -4.432 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.243 -14.591 -2.761 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.198 -15.770 -3.605 1.00 0.00 C ATOM 1472 C ARG A 121 -4.140 -15.563 -4.790 1.00 0.00 C ATOM 1473 O ARG A 121 -5.338 -15.849 -4.713 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.564 -17.025 -2.794 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.254 -18.349 -3.492 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.354 -18.761 -4.459 1.00 0.00 C ATOM 1477 NE ARG A 121 -4.014 -19.967 -5.212 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.764 -21.062 -5.225 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -5.812 -21.167 -4.418 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -4.452 -22.071 -6.022 1.00 0.00 N ATOM 0 H ARG A 121 -3.829 -14.685 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.188 -15.921 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.029 -16.996 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.628 -16.993 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.312 -18.261 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.120 -19.130 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.277 -18.931 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.547 -17.944 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.152 -19.967 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.045 -20.404 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.384 -22.011 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.634 -22.008 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.030 -22.912 -6.031 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.583 -15.030 -5.867 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.344 -14.683 -7.062 1.00 0.00 C ATOM 1495 C ASN A 122 -3.479 -14.945 -8.298 1.00 0.00 C ATOM 1496 O ASN A 122 -2.276 -15.170 -8.148 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.786 -13.210 -6.965 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.525 -12.700 -8.186 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -6.719 -12.940 -8.351 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.830 -11.946 -9.023 1.00 0.00 N ATOM 0 H ASN A 122 -2.587 -14.824 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.241 -15.296 -7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.427 -13.092 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.906 -12.588 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.284 -11.540 -9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.840 -11.771 -8.850 1.00 0.00 H new ATOM 1507 N ASP A 123 -4.064 -14.954 -9.497 1.00 0.00 N ATOM 1508 CA ASP A 123 -3.304 -15.296 -10.707 1.00 0.00 C ATOM 1509 C ASP A 123 -2.134 -14.337 -10.908 1.00 0.00 C ATOM 1510 O ASP A 123 -1.028 -14.757 -11.255 1.00 0.00 O ATOM 1511 CB ASP A 123 -4.201 -15.318 -11.960 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.538 -13.941 -12.503 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -5.400 -13.258 -11.916 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -3.948 -13.540 -13.530 1.00 0.00 O ATOM 0 H ASP A 123 -5.046 -14.732 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.909 -16.302 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.703 -15.893 -12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.128 -15.840 -11.722 1.00 0.00 H new ATOM 1519 N MET A 124 -2.371 -13.060 -10.664 1.00 0.00 N ATOM 1520 CA MET A 124 -1.318 -12.064 -10.758 1.00 0.00 C ATOM 1521 C MET A 124 -1.276 -11.238 -9.482 1.00 0.00 C ATOM 1522 O MET A 124 -2.204 -11.287 -8.675 1.00 0.00 O ATOM 1523 CB MET A 124 -1.538 -11.133 -11.956 1.00 0.00 C ATOM 1524 CG MET A 124 -2.717 -10.186 -11.785 1.00 0.00 C ATOM 1525 SD MET A 124 -2.656 -8.780 -12.915 1.00 0.00 S ATOM 1526 CE MET A 124 -2.792 -9.610 -14.495 1.00 0.00 C ATOM 0 H MET A 124 -3.283 -12.688 -10.399 1.00 0.00 H new ATOM 0 HA MET A 124 -0.372 -12.587 -10.896 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.634 -10.547 -12.121 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.694 -11.736 -12.850 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.645 -10.735 -11.946 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.737 -9.820 -10.758 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.841 -8.869 -15.292 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.922 -10.249 -14.646 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.696 -10.219 -14.510 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.206 -10.485 -9.298 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.109 -9.579 -8.169 1.00 0.00 C ATOM 1538 C CYS A 125 0.911 -8.487 -8.450 1.00 0.00 C ATOM 1539 O CYS A 125 2.116 -8.692 -8.320 1.00 0.00 O ATOM 1540 CB CYS A 125 0.259 -10.332 -6.889 1.00 0.00 C ATOM 1541 SG CYS A 125 0.242 -9.294 -5.389 1.00 0.00 S ATOM 0 H CYS A 125 0.606 -10.483 -9.915 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.086 -9.118 -8.023 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.437 -11.160 -6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.252 -10.766 -7.007 1.00 0.00 H new ATOM 1546 N HIS A 126 0.420 -7.336 -8.880 1.00 0.00 N ATOM 1547 CA HIS A 126 1.265 -6.166 -9.041 1.00 0.00 C ATOM 1548 C HIS A 126 1.308 -5.416 -7.721 1.00 0.00 C ATOM 1549 O HIS A 126 0.261 -5.132 -7.134 1.00 0.00 O ATOM 1550 CB HIS A 126 0.738 -5.250 -10.154 1.00 0.00 C ATOM 1551 CG HIS A 126 0.826 -5.846 -11.527 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.900 -6.237 -12.254 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -0.278 -6.086 -12.320 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 1.430 -6.698 -13.458 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 0.113 -6.598 -13.473 1.00 0.00 N flip ATOM 0 H HIS A 126 -0.559 -7.188 -9.124 1.00 0.00 H new ATOM 0 HA HIS A 126 2.268 -6.485 -9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.302 -5.001 -9.943 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.299 -4.316 -10.138 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.302 -5.886 -12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 126 2.039 -7.081 -14.264 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.498 -6.870 -14.243 1.00 0.00 H new ATOM 1563 N SER A 127 2.504 -5.116 -7.243 1.00 0.00 N ATOM 1564 CA SER A 127 2.652 -4.468 -5.950 1.00 0.00 C ATOM 1565 C SER A 127 2.161 -3.028 -6.026 1.00 0.00 C ATOM 1566 O SER A 127 2.496 -2.291 -6.958 1.00 0.00 O ATOM 1567 CB SER A 127 4.112 -4.514 -5.485 1.00 0.00 C ATOM 1568 OG SER A 127 4.247 -4.033 -4.155 1.00 0.00 O ATOM 0 H SER A 127 3.381 -5.309 -7.727 1.00 0.00 H new ATOM 0 HA SER A 127 2.046 -5.006 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.482 -5.538 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.728 -3.914 -6.155 1.00 0.00 H new ATOM 0 HG SER A 127 4.789 -4.661 -3.634 1.00 0.00 H new ATOM 1574 N LEU A 128 1.350 -2.643 -5.053 1.00 0.00 N ATOM 1575 CA LEU A 128 0.832 -1.291 -4.992 1.00 0.00 C ATOM 1576 C LEU A 128 1.954 -0.334 -4.606 1.00 0.00 C ATOM 1577 O LEU A 128 2.637 -0.539 -3.600 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.315 -1.199 -3.983 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.106 0.110 -4.006 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.002 0.181 -5.234 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.931 0.252 -2.740 1.00 0.00 C ATOM 0 H LEU A 128 1.038 -3.251 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 128 0.444 -1.015 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.004 -2.023 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.092 -1.340 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.396 0.936 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.554 1.121 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.390 0.126 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.704 -0.652 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.488 1.188 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.628 -0.582 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.270 0.252 -1.873 1.00 0.00 H new ATOM 1593 N GLY A 129 2.155 0.686 -5.417 1.00 0.00 N ATOM 1594 CA GLY A 129 3.204 1.639 -5.161 1.00 0.00 C ATOM 1595 C GLY A 129 2.652 3.005 -4.852 1.00 0.00 C ATOM 1596 O GLY A 129 1.628 3.407 -5.408 1.00 0.00 O ATOM 0 H GLY A 129 1.605 0.871 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.812 1.295 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.860 1.700 -6.029 1.00 0.00 H new ATOM 1600 N LEU A 130 3.321 3.716 -3.962 1.00 0.00 N ATOM 1601 CA LEU A 130 2.915 5.058 -3.602 1.00 0.00 C ATOM 1602 C LEU A 130 4.122 5.984 -3.711 1.00 0.00 C ATOM 1603 O LEU A 130 5.252 5.586 -3.416 1.00 0.00 O ATOM 1604 CB LEU A 130 2.333 5.069 -2.181 1.00 0.00 C ATOM 1605 CG LEU A 130 1.323 6.188 -1.881 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.551 5.880 -0.613 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.012 7.536 -1.745 1.00 0.00 C ATOM 0 H LEU A 130 4.152 3.382 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 130 2.138 5.409 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.848 4.110 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.157 5.149 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 130 0.631 6.239 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.160 6.683 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.012 4.940 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.244 5.795 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.269 8.305 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.734 7.495 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.528 7.776 -2.675 1.00 0.00 H new ATOM 1619 N THR A 131 3.885 7.196 -4.173 1.00 0.00 N ATOM 1620 CA THR A 131 4.938 8.184 -4.312 1.00 0.00 C ATOM 1621 C THR A 131 4.634 9.410 -3.461 1.00 0.00 C ATOM 1622 O THR A 131 3.709 10.162 -3.758 1.00 0.00 O ATOM 1623 CB THR A 131 5.094 8.606 -5.786 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.383 7.453 -6.587 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.197 9.641 -5.953 1.00 0.00 C ATOM 0 H THR A 131 2.963 7.523 -4.461 1.00 0.00 H new ATOM 0 HA THR A 131 5.870 7.734 -3.971 1.00 0.00 H new ATOM 0 HB THR A 131 4.157 9.058 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.480 7.722 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.281 9.917 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.958 10.526 -5.363 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.144 9.222 -5.611 1.00 0.00 H new ATOM 1633 N CYS A 132 5.390 9.593 -2.392 1.00 0.00 N ATOM 1634 CA CYS A 132 5.232 10.766 -1.544 1.00 0.00 C ATOM 1635 C CYS A 132 6.326 11.774 -1.868 1.00 0.00 C ATOM 1636 O CYS A 132 7.387 11.396 -2.370 1.00 0.00 O ATOM 1637 CB CYS A 132 5.305 10.369 -0.066 1.00 0.00 C ATOM 1638 SG CYS A 132 4.156 9.037 0.415 1.00 0.00 S ATOM 0 H CYS A 132 6.119 8.947 -2.090 1.00 0.00 H new ATOM 0 HA CYS A 132 4.257 11.215 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.323 10.054 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.098 11.248 0.544 1.00 0.00 H new ATOM 1643 N LEU A 133 6.065 13.050 -1.612 1.00 0.00 N ATOM 1644 CA LEU A 133 7.052 14.098 -1.857 1.00 0.00 C ATOM 1645 C LEU A 133 8.232 13.993 -0.894 1.00 0.00 C ATOM 1646 O LEU A 133 8.200 14.559 0.200 1.00 0.00 O ATOM 1647 CB LEU A 133 6.406 15.476 -1.743 1.00 0.00 C ATOM 1648 CG LEU A 133 5.681 15.961 -2.995 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.820 17.168 -2.672 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.686 16.310 -4.085 1.00 0.00 C ATOM 0 H LEU A 133 5.179 13.386 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 133 7.431 13.963 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.697 15.459 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.178 16.201 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 133 5.037 15.159 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.309 17.503 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.082 16.897 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.449 17.973 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.155 16.655 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.349 17.099 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.274 15.427 -4.334 1.00 0.00 H new ATOM 1662 N GLU A 134 9.250 13.244 -1.318 1.00 0.00 N ATOM 1663 CA GLU A 134 10.492 13.080 -0.568 1.00 0.00 C ATOM 1664 C GLU A 134 11.424 12.137 -1.331 1.00 0.00 C ATOM 1665 O GLU A 134 11.062 10.954 -1.517 1.00 0.00 O ATOM 1666 CB GLU A 134 10.217 12.543 0.845 1.00 0.00 C ATOM 1667 CG GLU A 134 11.463 12.369 1.697 1.00 0.00 C ATOM 1668 CD GLU A 134 12.265 13.646 1.852 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.934 14.462 2.740 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.238 13.835 1.093 1.00 0.00 O ATOM 1671 OXT GLU A 134 12.505 12.587 -1.762 1.00 0.00 O ATOM 0 H GLU A 134 9.234 12.730 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 134 10.971 14.053 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.534 13.223 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.708 11.582 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.173 12.008 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.096 11.602 1.251 1.00 0.00 H new TER 1678 GLU A 134