USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 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 73 TYR OH : rot 15:sc= 0.808 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 150:sc= 1.83 (180deg=-0.0653) USER MOD Set 2.1: A 54 MET CE :methyl 147:sc= -1.6 (180deg=-2.93!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -148:sc= -0.949 (180deg=-1.32!) USER MOD Set 3.1: A 65 TYR OH : rot 15:sc= 1.12 USER MOD Set 3.2: B 116 THR OG1 : rot -16:sc= 1.21 USER MOD Set 4.1: A 21 LYS NZ :NH3+ -161:sc= 2.28 (180deg=0.839) USER MOD Set 4.2: A 24 GLN : amide:sc= 1.04 K(o=3.3,f=-6!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.848 F(o=-2!,f=-0.85) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0434 F(o=-1.8,f=-0.043) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-2.7) USER MOD Single : A 20 HIS : no HE2:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -134:sc= -2.81! (180deg=-5.37!) USER MOD Single : A 42 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.64) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.019 (180deg=-0.166) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 2.28 (180deg=1.99) USER MOD Single : A 55 TYR OH : rot 180:sc= -2.71! USER MOD Single : A 57 SER OG : rot 79:sc= 1.28 USER MOD Single : A 59 ASN : amide:sc= 0.295 X(o=0.29,f=-0.062) USER MOD Single : A 60 SER OG : rot -9:sc= 1.02 USER MOD Single : A 64 TYR OH : rot 52:sc= 0.694 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.03 X(o=-1,f=-1.3!) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 2.14 (180deg=2.08) USER MOD Single : B 110 THR OG1 : rot 20:sc= 0.222 USER MOD Single : B 112 GLN :FLIP amide:sc= -0.183 F(o=-1.9!,f=-0.18) USER MOD Single : B 117 SER OG : rot -79:sc= 1.25 USER MOD Single : B 119 SER OG : rot -83:sc= 1.21 USER MOD Single : B 141 MET CE :methyl -102:sc= -0.401 (180deg=-1.39) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 32:sc= 0.756 USER MOD Single : B 150 MET CE :methyl 165:sc= -0.166 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.558 -1.286 -5.736 1.00 0.00 N ATOM 73 CA GLY A 5 23.185 -1.668 -4.474 1.00 0.00 C ATOM 74 C GLY A 5 22.292 -1.516 -3.248 1.00 0.00 C ATOM 75 O GLY A 5 22.394 -2.298 -2.304 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.509 -2.706 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.081 -1.064 -4.331 1.00 0.00 H new ATOM 79 N TRP A 6 21.388 -0.563 -3.285 1.00 0.00 N ATOM 80 CA TRP A 6 20.524 -0.272 -2.156 1.00 0.00 C ATOM 81 C TRP A 6 19.455 -1.342 -1.897 1.00 0.00 C ATOM 82 O TRP A 6 18.746 -1.252 -0.898 1.00 0.00 O ATOM 83 CB TRP A 6 19.858 1.108 -2.295 1.00 0.00 C ATOM 84 CG TRP A 6 18.956 1.238 -3.488 1.00 0.00 C ATOM 85 CD1 TRP A 6 19.290 1.749 -4.694 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.570 0.849 -3.584 1.00 0.00 C ATOM 87 NE1 TRP A 6 18.207 1.723 -5.527 1.00 0.00 N ATOM 88 CE2 TRP A 6 17.142 1.165 -4.874 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.659 0.265 -2.700 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.845 0.922 -5.308 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.376 0.022 -3.130 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.980 0.349 -4.420 1.00 0.00 C ATOM 0 H TRP A 6 21.229 0.034 -4.097 1.00 0.00 H new ATOM 0 HA TRP A 6 21.185 -0.271 -1.290 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.281 1.313 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.635 1.870 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 6 20.268 2.122 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 6 18.195 2.067 -6.487 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.958 0.008 -1.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.532 1.177 -6.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.665 -0.430 -2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.965 0.146 -4.728 1.00 0.00 H new ATOM 103 N HIS A 7 19.321 -2.356 -2.754 1.00 0.00 N ATOM 104 CA HIS A 7 18.262 -3.349 -2.514 1.00 0.00 C ATOM 105 C HIS A 7 18.570 -4.232 -1.297 1.00 0.00 C ATOM 106 O HIS A 7 17.703 -4.962 -0.804 1.00 0.00 O ATOM 107 CB HIS A 7 17.864 -4.181 -3.765 1.00 0.00 C ATOM 108 CG HIS A 7 18.826 -5.235 -4.253 1.00 0.00 C ATOM 109 ND1 HIS A 7 18.873 -6.522 -3.761 1.00 0.00 N ATOM 110 CD2 HIS A 7 19.728 -5.191 -5.249 1.00 0.00 C ATOM 111 CE1 HIS A 7 19.783 -7.196 -4.463 1.00 0.00 C ATOM 112 NE2 HIS A 7 20.334 -6.431 -5.382 1.00 0.00 N ATOM 0 H HIS A 7 19.897 -2.512 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 7 17.372 -2.765 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 7 16.914 -4.670 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.687 -3.486 -4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.947 -4.323 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.035 -8.233 -4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.056 -6.695 -6.052 1.00 0.00 H new ATOM 120 N GLU A 8 19.806 -4.146 -0.815 1.00 0.00 N ATOM 121 CA GLU A 8 20.222 -4.836 0.393 1.00 0.00 C ATOM 122 C GLU A 8 20.001 -3.929 1.621 1.00 0.00 C ATOM 123 O GLU A 8 20.164 -4.358 2.763 1.00 0.00 O ATOM 124 CB GLU A 8 21.696 -5.246 0.295 1.00 0.00 C ATOM 125 CG GLU A 8 22.657 -4.082 0.218 1.00 0.00 C ATOM 126 CD GLU A 8 24.090 -4.506 0.110 1.00 0.00 C ATOM 127 OE1 GLU A 8 24.743 -4.718 1.144 1.00 0.00 O ATOM 128 OE2 GLU A 8 24.615 -4.621 -1.016 1.00 0.00 O ATOM 0 H GLU A 8 20.544 -3.595 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 8 19.620 -5.737 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 8 21.950 -5.857 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 8 21.830 -5.873 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.402 -3.465 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.535 -3.459 1.104 1.00 0.00 H new ATOM 135 N HIS A 9 19.624 -2.677 1.358 1.00 0.00 N ATOM 136 CA HIS A 9 19.407 -1.660 2.400 1.00 0.00 C ATOM 137 C HIS A 9 17.935 -1.606 2.777 1.00 0.00 C ATOM 138 O HIS A 9 17.495 -0.740 3.543 1.00 0.00 O ATOM 139 CB HIS A 9 19.856 -0.259 1.921 1.00 0.00 C ATOM 140 CG HIS A 9 21.340 -0.083 1.699 1.00 0.00 C ATOM 141 ND1 HIS A 9 22.187 -0.729 0.866 1.00 0.00 N flip ATOM 142 CD2 HIS A 9 22.097 0.881 2.320 1.00 0.00 C flip ATOM 143 CE1 HIS A 9 23.457 -0.168 0.968 1.00 0.00 C flip ATOM 144 NE2 HIS A 9 23.344 0.800 1.861 1.00 0.00 N flip ATOM 0 H HIS A 9 19.458 -2.333 0.412 1.00 0.00 H new ATOM 0 HA HIS A 9 20.005 -1.942 3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.339 -0.032 0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.528 0.477 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.740 1.586 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.347 -0.462 0.431 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.110 1.404 2.159 1.00 0.00 H new ATOM 152 N VAL A 10 17.190 -2.519 2.220 1.00 0.00 N ATOM 153 CA VAL A 10 15.784 -2.644 2.448 1.00 0.00 C ATOM 154 C VAL A 10 15.479 -4.102 2.721 1.00 0.00 C ATOM 155 O VAL A 10 15.816 -4.990 1.923 1.00 0.00 O ATOM 156 CB VAL A 10 14.959 -2.084 1.238 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.280 -2.744 -0.089 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.467 -2.072 1.516 1.00 0.00 C ATOM 0 H VAL A 10 17.560 -3.217 1.575 1.00 0.00 H new ATOM 0 HA VAL A 10 15.490 -2.048 3.312 1.00 0.00 H new ATOM 0 HB VAL A 10 15.283 -1.049 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.667 -2.300 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.334 -2.595 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.070 -3.812 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.939 -1.676 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.126 -3.088 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.264 -1.444 2.383 1.00 0.00 H new ATOM 168 N THR A 11 14.920 -4.358 3.861 1.00 0.00 N ATOM 169 CA THR A 11 14.636 -5.693 4.267 1.00 0.00 C ATOM 170 C THR A 11 13.385 -6.181 3.551 1.00 0.00 C ATOM 171 O THR A 11 12.486 -5.378 3.240 1.00 0.00 O ATOM 172 CB THR A 11 14.397 -5.743 5.781 1.00 0.00 C ATOM 173 OG1 THR A 11 15.420 -5.001 6.454 1.00 0.00 O ATOM 174 CG2 THR A 11 14.447 -7.169 6.270 1.00 0.00 C ATOM 0 H THR A 11 14.648 -3.644 4.536 1.00 0.00 H new ATOM 0 HA THR A 11 15.484 -6.329 4.015 1.00 0.00 H new ATOM 0 HB THR A 11 13.417 -5.315 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.265 -5.033 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.276 -7.191 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.676 -7.753 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.426 -7.595 6.050 1.00 0.00 H new ATOM 182 N GLN A 12 13.308 -7.477 3.304 1.00 0.00 N ATOM 183 CA GLN A 12 12.154 -8.059 2.675 1.00 0.00 C ATOM 184 C GLN A 12 10.920 -7.844 3.537 1.00 0.00 C ATOM 185 O GLN A 12 9.860 -7.575 3.030 1.00 0.00 O ATOM 186 CB GLN A 12 12.390 -9.543 2.301 1.00 0.00 C ATOM 187 CG GLN A 12 11.159 -10.276 1.758 1.00 0.00 C ATOM 188 CD GLN A 12 10.452 -11.184 2.783 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.609 -10.927 4.055 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 9.814 -12.164 2.409 1.00 0.00 N flip ATOM 0 H GLN A 12 14.043 -8.145 3.535 1.00 0.00 H new ATOM 0 HA GLN A 12 11.976 -7.548 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.183 -9.593 1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.750 -10.072 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.445 -9.538 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.460 -10.881 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.701 -12.349 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.396 -12.793 3.095 1.00 0.00 H new ATOM 199 N ASP A 13 11.091 -7.899 4.846 1.00 0.00 N ATOM 200 CA ASP A 13 9.972 -7.655 5.770 1.00 0.00 C ATOM 201 C ASP A 13 9.480 -6.224 5.695 1.00 0.00 C ATOM 202 O ASP A 13 8.308 -5.976 5.855 1.00 0.00 O ATOM 203 CB ASP A 13 10.313 -8.016 7.222 1.00 0.00 C ATOM 204 CG ASP A 13 10.415 -9.499 7.452 1.00 0.00 C ATOM 205 OD1 ASP A 13 9.387 -10.150 7.715 1.00 0.00 O ATOM 206 OD2 ASP A 13 11.519 -10.047 7.351 1.00 0.00 O ATOM 0 H ASP A 13 11.980 -8.107 5.300 1.00 0.00 H new ATOM 0 HA ASP A 13 9.170 -8.317 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.258 -7.546 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.550 -7.604 7.882 1.00 0.00 H new ATOM 211 N LEU A 14 10.374 -5.294 5.359 1.00 0.00 N ATOM 212 CA LEU A 14 10.026 -3.870 5.315 1.00 0.00 C ATOM 213 C LEU A 14 9.167 -3.642 4.096 1.00 0.00 C ATOM 214 O LEU A 14 8.059 -3.117 4.180 1.00 0.00 O ATOM 215 CB LEU A 14 11.339 -3.007 5.290 1.00 0.00 C ATOM 216 CG LEU A 14 11.260 -1.436 5.263 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.869 -0.883 3.921 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.309 -0.895 6.290 1.00 0.00 C ATOM 0 H LEU A 14 11.343 -5.498 5.114 1.00 0.00 H new ATOM 0 HA LEU A 14 9.465 -3.568 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.924 -3.285 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.911 -3.316 4.415 1.00 0.00 H new ATOM 0 HG LEU A 14 12.275 -1.111 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.833 0.205 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.603 -1.187 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.887 -1.265 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.290 0.193 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.309 -1.286 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.636 -1.199 7.284 1.00 0.00 H new ATOM 230 N ARG A 15 9.665 -4.105 2.981 1.00 0.00 N ATOM 231 CA ARG A 15 8.980 -3.962 1.723 1.00 0.00 C ATOM 232 C ARG A 15 7.668 -4.737 1.693 1.00 0.00 C ATOM 233 O ARG A 15 6.644 -4.207 1.281 1.00 0.00 O ATOM 234 CB ARG A 15 9.891 -4.342 0.582 1.00 0.00 C ATOM 235 CG ARG A 15 10.492 -5.701 0.666 1.00 0.00 C ATOM 236 CD ARG A 15 11.548 -5.859 -0.369 1.00 0.00 C ATOM 237 NE ARG A 15 10.996 -5.607 -1.724 1.00 0.00 N ATOM 238 CZ ARG A 15 11.367 -6.208 -2.856 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.486 -6.950 -2.901 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.645 -6.012 -3.964 1.00 0.00 N ATOM 0 H ARG A 15 10.559 -4.593 2.918 1.00 0.00 H new ATOM 0 HA ARG A 15 8.713 -2.912 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.328 -4.270 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.697 -3.610 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.917 -5.858 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.720 -6.458 0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.366 -5.167 -0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.963 -6.866 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 15 10.260 -4.905 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.060 -7.058 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.761 -7.406 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.822 -5.409 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.917 -6.465 -4.837 1.00 0.00 H new ATOM 254 N SER A 16 7.695 -5.963 2.208 1.00 0.00 N ATOM 255 CA SER A 16 6.518 -6.805 2.281 1.00 0.00 C ATOM 256 C SER A 16 5.496 -6.164 3.220 1.00 0.00 C ATOM 257 O SER A 16 4.280 -6.321 3.055 1.00 0.00 O ATOM 258 CB SER A 16 6.924 -8.205 2.769 1.00 0.00 C ATOM 259 OG SER A 16 5.831 -9.112 2.833 1.00 0.00 O ATOM 0 H SER A 16 8.538 -6.396 2.586 1.00 0.00 H new ATOM 0 HA SER A 16 6.062 -6.905 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.685 -8.609 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.378 -8.122 3.757 1.00 0.00 H new ATOM 0 HG SER A 16 6.148 -9.984 3.147 1.00 0.00 H new ATOM 265 N HIS A 17 5.994 -5.411 4.185 1.00 0.00 N ATOM 266 CA HIS A 17 5.149 -4.704 5.084 1.00 0.00 C ATOM 267 C HIS A 17 4.398 -3.603 4.327 1.00 0.00 C ATOM 268 O HIS A 17 3.184 -3.437 4.520 1.00 0.00 O ATOM 269 CB HIS A 17 5.949 -4.124 6.242 1.00 0.00 C ATOM 270 CG HIS A 17 5.100 -3.636 7.340 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.787 -4.371 8.458 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.457 -2.472 7.464 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.970 -3.647 9.197 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.736 -2.477 8.633 1.00 0.00 N ATOM 0 H HIS A 17 6.992 -5.284 4.353 1.00 0.00 H new ATOM 0 HA HIS A 17 4.422 -5.399 5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.627 -4.886 6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.566 -3.304 5.875 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.126 -5.308 8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.498 -1.656 6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.549 -3.968 10.138 1.00 0.00 H new ATOM 282 N LEU A 18 5.101 -2.858 3.449 1.00 0.00 N ATOM 283 CA LEU A 18 4.403 -1.836 2.649 1.00 0.00 C ATOM 284 C LEU A 18 3.388 -2.514 1.742 1.00 0.00 C ATOM 285 O LEU A 18 2.289 -2.006 1.554 1.00 0.00 O ATOM 286 CB LEU A 18 5.316 -0.912 1.793 1.00 0.00 C ATOM 287 CG LEU A 18 6.392 -0.032 2.490 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.060 0.319 3.913 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.763 -0.615 2.358 1.00 0.00 C ATOM 0 H LEU A 18 6.104 -2.938 3.281 1.00 0.00 H new ATOM 0 HA LEU A 18 3.929 -1.178 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.831 -1.543 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.665 -0.244 1.228 1.00 0.00 H new ATOM 0 HG LEU A 18 6.387 0.916 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.857 0.934 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.122 0.873 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.960 -0.594 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.483 0.032 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.783 -1.604 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.023 -0.698 1.303 1.00 0.00 H new ATOM 301 N VAL A 19 3.762 -3.687 1.221 1.00 0.00 N ATOM 302 CA VAL A 19 2.876 -4.530 0.405 1.00 0.00 C ATOM 303 C VAL A 19 1.581 -4.822 1.183 1.00 0.00 C ATOM 304 O VAL A 19 0.474 -4.669 0.658 1.00 0.00 O ATOM 305 CB VAL A 19 3.569 -5.893 0.025 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.654 -6.800 -0.752 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.822 -5.671 -0.778 1.00 0.00 C ATOM 0 H VAL A 19 4.693 -4.082 1.353 1.00 0.00 H new ATOM 0 HA VAL A 19 2.651 -3.990 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 19 3.821 -6.372 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.177 -7.726 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.771 -7.025 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.351 -6.306 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.273 -6.633 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.575 -5.142 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.527 -5.077 -0.196 1.00 0.00 H new ATOM 317 N HIS A 20 1.729 -5.208 2.443 1.00 0.00 N ATOM 318 CA HIS A 20 0.588 -5.485 3.291 1.00 0.00 C ATOM 319 C HIS A 20 -0.270 -4.218 3.510 1.00 0.00 C ATOM 320 O HIS A 20 -1.486 -4.298 3.537 1.00 0.00 O ATOM 321 CB HIS A 20 1.019 -6.138 4.627 1.00 0.00 C ATOM 322 CG HIS A 20 -0.128 -6.448 5.563 1.00 0.00 C ATOM 323 ND1 HIS A 20 -0.140 -6.108 6.889 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.322 -7.055 5.326 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.308 -6.486 7.406 1.00 0.00 C ATOM 326 NE2 HIS A 20 -2.065 -7.071 6.502 1.00 0.00 N ATOM 0 H HIS A 20 2.633 -5.335 2.898 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.041 -6.210 2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.557 -7.061 4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.718 -5.473 5.135 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.615 -5.645 7.394 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.642 -7.460 4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.597 -6.332 8.435 1.00 0.00 H new ATOM 334 N LYS A 21 0.353 -3.049 3.633 1.00 0.00 N ATOM 335 CA LYS A 21 -0.447 -1.833 3.766 1.00 0.00 C ATOM 336 C LYS A 21 -1.106 -1.453 2.467 1.00 0.00 C ATOM 337 O LYS A 21 -2.191 -0.890 2.481 1.00 0.00 O ATOM 338 CB LYS A 21 0.275 -0.627 4.360 1.00 0.00 C ATOM 339 CG LYS A 21 0.367 -0.580 5.888 1.00 0.00 C ATOM 340 CD LYS A 21 1.458 -1.466 6.453 1.00 0.00 C ATOM 341 CE LYS A 21 0.975 -2.850 6.840 1.00 0.00 C ATOM 342 NZ LYS A 21 0.100 -2.817 8.024 1.00 0.00 N ATOM 0 H LYS A 21 1.364 -2.917 3.644 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.205 -2.107 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.286 -0.599 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.230 0.277 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.545 0.448 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.591 -0.881 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.255 -1.561 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.890 -0.983 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.436 -3.293 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.834 -3.491 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.052 -3.766 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.483 -2.147 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.854 -2.515 7.742 1.00 0.00 H new ATOM 356 N LEU A 22 -0.447 -1.741 1.347 1.00 0.00 N ATOM 357 CA LEU A 22 -1.041 -1.542 0.028 1.00 0.00 C ATOM 358 C LEU A 22 -2.330 -2.332 -0.042 1.00 0.00 C ATOM 359 O LEU A 22 -3.352 -1.823 -0.482 1.00 0.00 O ATOM 360 CB LEU A 22 -0.067 -1.958 -1.092 1.00 0.00 C ATOM 361 CG LEU A 22 1.157 -1.049 -1.308 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.143 -1.690 -2.267 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.717 0.265 -1.890 1.00 0.00 C ATOM 0 H LEU A 22 0.502 -2.114 1.327 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.254 -0.483 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.289 -2.966 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.624 -2.009 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 22 1.638 -0.897 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.999 -1.029 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.481 -2.642 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.658 -1.859 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.586 0.905 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.223 0.092 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.023 0.752 -1.205 1.00 0.00 H new ATOM 375 N VAL A 23 -2.261 -3.561 0.461 1.00 0.00 N ATOM 376 CA VAL A 23 -3.414 -4.434 0.628 1.00 0.00 C ATOM 377 C VAL A 23 -4.488 -3.772 1.517 1.00 0.00 C ATOM 378 O VAL A 23 -5.652 -3.761 1.174 1.00 0.00 O ATOM 379 CB VAL A 23 -2.980 -5.790 1.265 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.173 -6.550 1.822 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.277 -6.645 0.226 1.00 0.00 C ATOM 0 H VAL A 23 -1.385 -3.984 0.769 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.839 -4.615 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.300 -5.570 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.834 -7.490 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.661 -5.949 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.880 -6.757 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.976 -7.591 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.955 -6.838 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.394 -6.120 -0.140 1.00 0.00 H new ATOM 391 N GLN A 24 -4.083 -3.209 2.637 1.00 0.00 N ATOM 392 CA GLN A 24 -5.046 -2.619 3.562 1.00 0.00 C ATOM 393 C GLN A 24 -5.681 -1.342 3.009 1.00 0.00 C ATOM 394 O GLN A 24 -6.825 -1.023 3.346 1.00 0.00 O ATOM 395 CB GLN A 24 -4.447 -2.350 4.936 1.00 0.00 C ATOM 396 CG GLN A 24 -3.800 -3.545 5.592 1.00 0.00 C ATOM 397 CD GLN A 24 -3.534 -3.290 7.046 1.00 0.00 C ATOM 398 OE1 GLN A 24 -2.471 -2.809 7.416 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.499 -3.580 7.877 1.00 0.00 N ATOM 0 H GLN A 24 -3.109 -3.144 2.932 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.831 -3.366 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.704 -1.558 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.233 -1.975 5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.447 -4.416 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.864 -3.779 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.370 -3.980 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.382 -3.407 8.875 1.00 0.00 H new ATOM 408 N ALA A 25 -4.940 -0.604 2.204 1.00 0.00 N ATOM 409 CA ALA A 25 -5.474 0.588 1.589 1.00 0.00 C ATOM 410 C ALA A 25 -6.444 0.225 0.489 1.00 0.00 C ATOM 411 O ALA A 25 -7.530 0.766 0.429 1.00 0.00 O ATOM 412 CB ALA A 25 -4.355 1.426 1.026 1.00 0.00 C ATOM 0 H ALA A 25 -3.971 -0.811 1.964 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.003 1.162 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.769 2.323 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.675 1.712 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.811 0.851 0.277 1.00 0.00 H new ATOM 418 N ILE A 26 -6.056 -0.723 -0.354 1.00 0.00 N ATOM 419 CA ILE A 26 -6.884 -1.121 -1.487 1.00 0.00 C ATOM 420 C ILE A 26 -8.121 -1.886 -1.013 1.00 0.00 C ATOM 421 O ILE A 26 -9.216 -1.766 -1.588 1.00 0.00 O ATOM 422 CB ILE A 26 -6.091 -2.013 -2.510 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.934 -2.286 -3.732 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.648 -3.344 -1.905 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.356 -3.344 -4.627 1.00 0.00 C ATOM 0 H ILE A 26 -5.175 -1.231 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.188 -0.203 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.197 -1.453 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.931 -2.592 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.049 -1.363 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.105 -3.921 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.999 -3.157 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.524 -3.905 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.011 -3.491 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.370 -3.031 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.267 -4.279 -4.074 1.00 0.00 H new ATOM 437 N PHE A 27 -7.947 -2.628 0.045 1.00 0.00 N ATOM 438 CA PHE A 27 -8.961 -3.486 0.540 1.00 0.00 C ATOM 439 C PHE A 27 -9.219 -3.219 2.022 1.00 0.00 C ATOM 440 O PHE A 27 -8.598 -3.844 2.906 1.00 0.00 O ATOM 441 CB PHE A 27 -8.511 -4.920 0.303 1.00 0.00 C ATOM 442 CG PHE A 27 -9.483 -6.015 0.612 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.590 -6.226 -0.186 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.257 -6.863 1.678 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.464 -7.260 0.078 1.00 0.00 C ATOM 446 CE2 PHE A 27 -10.118 -7.901 1.945 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.227 -8.101 1.142 1.00 0.00 C ATOM 0 H PHE A 27 -7.083 -2.647 0.587 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.902 -3.305 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.224 -5.012 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.613 -5.092 0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -10.774 -5.574 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.394 -6.709 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.331 -7.409 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.929 -8.559 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.905 -8.915 1.350 1.00 0.00 H new ATOM 457 N PRO A 28 -10.022 -2.186 2.321 1.00 0.00 N ATOM 458 CA PRO A 28 -10.532 -1.931 3.659 1.00 0.00 C ATOM 459 C PRO A 28 -11.218 -3.179 4.182 1.00 0.00 C ATOM 460 O PRO A 28 -12.184 -3.666 3.577 1.00 0.00 O ATOM 461 CB PRO A 28 -11.551 -0.818 3.433 1.00 0.00 C ATOM 462 CG PRO A 28 -11.750 -0.804 1.963 1.00 0.00 C ATOM 463 CD PRO A 28 -10.448 -1.141 1.403 1.00 0.00 C ATOM 0 HA PRO A 28 -9.762 -1.662 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.484 -1.018 3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.181 0.141 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.509 -1.526 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.086 0.174 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.519 -1.497 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.766 -0.290 1.399 1.00 0.00 H new ATOM 471 N THR A 29 -10.713 -3.672 5.274 1.00 0.00 N ATOM 472 CA THR A 29 -11.074 -4.941 5.821 1.00 0.00 C ATOM 473 C THR A 29 -12.551 -5.181 6.102 1.00 0.00 C ATOM 474 O THR A 29 -13.152 -4.557 6.986 1.00 0.00 O ATOM 475 CB THR A 29 -10.254 -5.225 7.066 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.990 -3.993 7.777 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.977 -5.881 6.683 1.00 0.00 C ATOM 0 H THR A 29 -10.011 -3.180 5.827 1.00 0.00 H new ATOM 0 HA THR A 29 -10.846 -5.642 5.019 1.00 0.00 H new ATOM 0 HB THR A 29 -10.814 -5.892 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.462 -4.185 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.389 -6.084 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.189 -6.818 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.414 -5.223 6.021 1.00 0.00 H new ATOM 485 N PRO A 30 -13.158 -6.106 5.343 1.00 0.00 N ATOM 486 CA PRO A 30 -14.481 -6.584 5.643 1.00 0.00 C ATOM 487 C PRO A 30 -14.371 -7.688 6.699 1.00 0.00 C ATOM 488 O PRO A 30 -15.358 -8.126 7.293 1.00 0.00 O ATOM 489 CB PRO A 30 -14.975 -7.131 4.311 1.00 0.00 C ATOM 490 CG PRO A 30 -13.741 -7.602 3.625 1.00 0.00 C ATOM 491 CD PRO A 30 -12.626 -6.703 4.094 1.00 0.00 C ATOM 0 HA PRO A 30 -15.156 -5.827 6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.685 -7.945 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.484 -6.362 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.532 -8.643 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.854 -7.549 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.709 -7.264 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.390 -5.939 3.354 1.00 0.00 H new ATOM 499 N ASP A 31 -13.134 -8.124 6.893 1.00 0.00 N ATOM 500 CA ASP A 31 -12.737 -9.081 7.892 1.00 0.00 C ATOM 501 C ASP A 31 -11.250 -9.205 7.789 1.00 0.00 C ATOM 502 O ASP A 31 -10.721 -9.205 6.677 1.00 0.00 O ATOM 503 CB ASP A 31 -13.335 -10.457 7.654 1.00 0.00 C ATOM 504 CG ASP A 31 -13.365 -11.287 8.908 1.00 0.00 C ATOM 505 OD1 ASP A 31 -12.359 -11.946 9.236 1.00 0.00 O ATOM 506 OD2 ASP A 31 -14.404 -11.281 9.597 1.00 0.00 O ATOM 0 H ASP A 31 -12.350 -7.799 6.327 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.081 -8.738 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.348 -10.349 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.756 -10.976 6.890 1.00 0.00 H new ATOM 511 N PRO A 32 -10.533 -9.252 8.901 1.00 0.00 N ATOM 512 CA PRO A 32 -9.102 -9.485 8.883 1.00 0.00 C ATOM 513 C PRO A 32 -8.746 -10.867 8.306 1.00 0.00 C ATOM 514 O PRO A 32 -7.648 -11.071 7.808 1.00 0.00 O ATOM 515 CB PRO A 32 -8.690 -9.397 10.343 1.00 0.00 C ATOM 516 CG PRO A 32 -9.944 -9.548 11.121 1.00 0.00 C ATOM 517 CD PRO A 32 -11.030 -9.014 10.265 1.00 0.00 C ATOM 0 HA PRO A 32 -8.588 -8.764 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.975 -10.180 10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.208 -8.443 10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.124 -10.594 11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.886 -9.001 12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.974 -9.529 10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.204 -7.954 10.451 1.00 0.00 H new ATOM 525 N ALA A 33 -9.687 -11.803 8.332 1.00 0.00 N ATOM 526 CA ALA A 33 -9.424 -13.109 7.772 1.00 0.00 C ATOM 527 C ALA A 33 -9.660 -13.113 6.269 1.00 0.00 C ATOM 528 O ALA A 33 -9.406 -14.101 5.595 1.00 0.00 O ATOM 529 CB ALA A 33 -10.221 -14.199 8.457 1.00 0.00 C ATOM 0 H ALA A 33 -10.619 -11.680 8.728 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.372 -13.330 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.989 -15.161 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.963 -14.228 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.286 -13.994 8.349 1.00 0.00 H new ATOM 535 N ALA A 34 -10.119 -12.000 5.729 1.00 0.00 N ATOM 536 CA ALA A 34 -10.268 -11.881 4.289 1.00 0.00 C ATOM 537 C ALA A 34 -8.898 -11.597 3.684 1.00 0.00 C ATOM 538 O ALA A 34 -8.681 -11.705 2.480 1.00 0.00 O ATOM 539 CB ALA A 34 -11.257 -10.786 3.932 1.00 0.00 C ATOM 0 H ALA A 34 -10.393 -11.172 6.258 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.663 -12.813 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.349 -10.718 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.230 -11.019 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.903 -9.833 4.326 1.00 0.00 H new ATOM 545 N LEU A 35 -7.956 -11.303 4.567 1.00 0.00 N ATOM 546 CA LEU A 35 -6.591 -11.010 4.204 1.00 0.00 C ATOM 547 C LEU A 35 -5.807 -12.324 4.037 1.00 0.00 C ATOM 548 O LEU A 35 -4.595 -12.316 3.876 1.00 0.00 O ATOM 549 CB LEU A 35 -5.944 -10.144 5.300 1.00 0.00 C ATOM 550 CG LEU A 35 -6.711 -8.872 5.700 1.00 0.00 C ATOM 551 CD1 LEU A 35 -6.091 -8.244 6.933 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.750 -7.867 4.560 1.00 0.00 C ATOM 0 H LEU A 35 -8.129 -11.262 5.571 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.573 -10.465 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.813 -10.759 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.949 -9.853 4.964 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.737 -9.161 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.646 -7.345 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.127 -8.953 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.054 -7.981 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.299 -6.980 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.733 -7.586 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.246 -8.313 3.698 1.00 0.00 H new ATOM 564 N LYS A 36 -6.508 -13.448 4.135 1.00 0.00 N ATOM 565 CA LYS A 36 -5.915 -14.762 3.914 1.00 0.00 C ATOM 566 C LYS A 36 -6.817 -15.609 3.002 1.00 0.00 C ATOM 567 O LYS A 36 -6.659 -16.823 2.886 1.00 0.00 O ATOM 568 CB LYS A 36 -5.600 -15.460 5.255 1.00 0.00 C ATOM 569 CG LYS A 36 -6.779 -15.595 6.203 1.00 0.00 C ATOM 570 CD LYS A 36 -6.369 -16.179 7.554 1.00 0.00 C ATOM 571 CE LYS A 36 -5.439 -15.244 8.334 1.00 0.00 C ATOM 572 NZ LYS A 36 -5.034 -15.824 9.636 1.00 0.00 N ATOM 0 H LYS A 36 -7.500 -13.474 4.369 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.962 -14.639 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.206 -16.455 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.810 -14.904 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.235 -14.617 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.537 -16.233 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.262 -16.378 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.871 -17.136 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.551 -15.036 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.941 -14.291 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.406 -15.160 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.879 -15.999 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.532 -16.721 9.476 1.00 0.00 H new ATOM 586 N ASP A 37 -7.725 -14.924 2.323 1.00 0.00 N ATOM 587 CA ASP A 37 -8.694 -15.532 1.396 1.00 0.00 C ATOM 588 C ASP A 37 -8.018 -15.728 0.032 1.00 0.00 C ATOM 589 O ASP A 37 -6.855 -15.346 -0.139 1.00 0.00 O ATOM 590 CB ASP A 37 -9.883 -14.561 1.266 1.00 0.00 C ATOM 591 CG ASP A 37 -10.979 -14.989 0.333 1.00 0.00 C ATOM 592 OD1 ASP A 37 -11.769 -15.858 0.686 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.039 -14.450 -0.784 1.00 0.00 O ATOM 0 H ASP A 37 -7.818 -13.911 2.396 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.039 -16.500 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.313 -14.409 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.504 -13.595 0.932 1.00 0.00 H new ATOM 598 N ARG A 38 -8.726 -16.283 -0.939 1.00 0.00 N ATOM 599 CA ARG A 38 -8.173 -16.459 -2.269 1.00 0.00 C ATOM 600 C ARG A 38 -8.022 -15.092 -2.940 1.00 0.00 C ATOM 601 O ARG A 38 -7.143 -14.881 -3.766 1.00 0.00 O ATOM 602 CB ARG A 38 -9.046 -17.409 -3.119 1.00 0.00 C ATOM 603 CG ARG A 38 -10.137 -16.763 -4.003 1.00 0.00 C ATOM 604 CD ARG A 38 -11.317 -16.229 -3.220 1.00 0.00 C ATOM 605 NE ARG A 38 -12.102 -17.283 -2.584 1.00 0.00 N ATOM 606 CZ ARG A 38 -13.380 -17.155 -2.223 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.035 -16.007 -2.450 1.00 0.00 N ATOM 608 NH2 ARG A 38 -14.004 -18.169 -1.641 1.00 0.00 N ATOM 0 H ARG A 38 -9.683 -16.618 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.190 -16.923 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.386 -17.987 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.531 -18.115 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.693 -15.948 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.493 -17.501 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.957 -15.540 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.961 -15.657 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.643 -18.176 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.556 -15.227 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.012 -15.914 -2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.507 -19.043 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.981 -18.075 -1.364 1.00 0.00 H new ATOM 622 N ARG A 39 -8.867 -14.137 -2.516 1.00 0.00 N ATOM 623 CA ARG A 39 -8.830 -12.785 -3.051 1.00 0.00 C ATOM 624 C ARG A 39 -7.528 -12.117 -2.602 1.00 0.00 C ATOM 625 O ARG A 39 -7.050 -11.174 -3.224 1.00 0.00 O ATOM 626 CB ARG A 39 -10.041 -11.981 -2.553 1.00 0.00 C ATOM 627 CG ARG A 39 -10.308 -10.687 -3.326 1.00 0.00 C ATOM 628 CD ARG A 39 -11.406 -9.837 -2.673 1.00 0.00 C ATOM 629 NE ARG A 39 -12.636 -10.600 -2.381 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.873 -10.079 -2.291 1.00 0.00 C ATOM 631 NH1 ARG A 39 -14.132 -8.850 -2.740 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.863 -10.832 -1.834 1.00 0.00 N ATOM 0 H ARG A 39 -9.581 -14.287 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.871 -12.818 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.928 -12.612 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.891 -11.736 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.388 -10.105 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.599 -10.930 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.023 -9.410 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.651 -9.003 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.540 -11.605 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.387 -8.292 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.075 -8.468 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.683 -11.796 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.805 -10.447 -1.762 1.00 0.00 H new ATOM 646 N MET A 40 -6.945 -12.655 -1.534 1.00 0.00 N ATOM 647 CA MET A 40 -5.692 -12.167 -0.996 1.00 0.00 C ATOM 648 C MET A 40 -4.556 -12.327 -1.963 1.00 0.00 C ATOM 649 O MET A 40 -3.829 -11.386 -2.162 1.00 0.00 O ATOM 650 CB MET A 40 -5.373 -12.787 0.381 1.00 0.00 C ATOM 651 CG MET A 40 -3.905 -12.686 0.868 1.00 0.00 C ATOM 652 SD MET A 40 -3.171 -11.033 0.769 1.00 0.00 S ATOM 653 CE MET A 40 -4.424 -10.032 1.508 1.00 0.00 C ATOM 0 H MET A 40 -7.335 -13.445 -1.020 1.00 0.00 H new ATOM 0 HA MET A 40 -5.817 -11.096 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.012 -12.310 1.125 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.650 -13.841 0.352 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.858 -13.025 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.296 -13.372 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.591 -9.147 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.350 -10.603 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.105 -9.727 2.505 1.00 0.00 H new ATOM 663 N GLU A 41 -4.442 -13.480 -2.632 1.00 0.00 N ATOM 664 CA GLU A 41 -3.311 -13.672 -3.546 1.00 0.00 C ATOM 665 C GLU A 41 -3.382 -12.648 -4.676 1.00 0.00 C ATOM 666 O GLU A 41 -2.379 -12.195 -5.172 1.00 0.00 O ATOM 667 CB GLU A 41 -3.245 -15.090 -4.113 1.00 0.00 C ATOM 668 CG GLU A 41 -4.285 -15.414 -5.153 1.00 0.00 C ATOM 669 CD GLU A 41 -4.132 -16.806 -5.657 1.00 0.00 C ATOM 670 OE1 GLU A 41 -3.226 -17.051 -6.471 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.886 -17.694 -5.233 1.00 0.00 O ATOM 0 H GLU A 41 -5.090 -14.265 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.397 -13.523 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.258 -15.244 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.344 -15.798 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.280 -15.287 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.202 -14.713 -5.984 1.00 0.00 H new ATOM 678 N ASN A 42 -4.598 -12.265 -5.000 1.00 0.00 N ATOM 679 CA ASN A 42 -4.906 -11.278 -6.015 1.00 0.00 C ATOM 680 C ASN A 42 -4.510 -9.871 -5.530 1.00 0.00 C ATOM 681 O ASN A 42 -3.836 -9.117 -6.231 1.00 0.00 O ATOM 682 CB ASN A 42 -6.416 -11.363 -6.299 1.00 0.00 C ATOM 683 CG ASN A 42 -6.969 -10.248 -7.153 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.999 -10.337 -8.374 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.461 -9.216 -6.509 1.00 0.00 N ATOM 0 H ASN A 42 -5.430 -12.645 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.344 -11.473 -6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.625 -12.314 -6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.949 -11.371 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.889 -8.448 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.416 -9.181 -5.491 1.00 0.00 H new ATOM 692 N LEU A 43 -4.904 -9.551 -4.314 1.00 0.00 N ATOM 693 CA LEU A 43 -4.630 -8.244 -3.714 1.00 0.00 C ATOM 694 C LEU A 43 -3.160 -8.071 -3.419 1.00 0.00 C ATOM 695 O LEU A 43 -2.587 -7.016 -3.681 1.00 0.00 O ATOM 696 CB LEU A 43 -5.446 -8.086 -2.445 1.00 0.00 C ATOM 697 CG LEU A 43 -6.952 -8.177 -2.639 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.658 -8.167 -1.301 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.451 -7.046 -3.539 1.00 0.00 C ATOM 0 H LEU A 43 -5.424 -10.184 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.915 -7.471 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.138 -8.853 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.209 -7.122 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.183 -9.120 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.735 -8.233 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.325 -9.018 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.424 -7.243 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.530 -7.130 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.213 -6.085 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.966 -7.115 -4.513 1.00 0.00 H new ATOM 711 N VAL A 44 -2.541 -9.110 -2.910 1.00 0.00 N ATOM 712 CA VAL A 44 -1.149 -9.056 -2.597 1.00 0.00 C ATOM 713 C VAL A 44 -0.339 -9.088 -3.893 1.00 0.00 C ATOM 714 O VAL A 44 0.743 -8.549 -3.948 1.00 0.00 O ATOM 715 CB VAL A 44 -0.712 -10.175 -1.602 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.599 -11.539 -2.250 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.548 -9.795 -0.844 1.00 0.00 C ATOM 0 H VAL A 44 -2.990 -10.003 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.950 -8.118 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.516 -10.261 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.291 -12.272 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.565 -11.826 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.141 -11.502 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.819 -10.601 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.361 -9.629 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.369 -8.882 -0.275 1.00 0.00 H new ATOM 727 N ALA A 45 -0.897 -9.708 -4.943 1.00 0.00 N ATOM 728 CA ALA A 45 -0.271 -9.695 -6.269 1.00 0.00 C ATOM 729 C ALA A 45 -0.210 -8.258 -6.775 1.00 0.00 C ATOM 730 O ALA A 45 0.845 -7.790 -7.197 1.00 0.00 O ATOM 731 CB ALA A 45 -1.024 -10.582 -7.260 1.00 0.00 C ATOM 0 H ALA A 45 -1.777 -10.222 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 45 0.737 -10.100 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.529 -10.545 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.032 -11.609 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.049 -10.225 -7.362 1.00 0.00 H new ATOM 737 N TYR A 46 -1.357 -7.550 -6.686 1.00 0.00 N ATOM 738 CA TYR A 46 -1.444 -6.110 -7.008 1.00 0.00 C ATOM 739 C TYR A 46 -0.452 -5.335 -6.171 1.00 0.00 C ATOM 740 O TYR A 46 0.217 -4.432 -6.660 1.00 0.00 O ATOM 741 CB TYR A 46 -2.890 -5.571 -6.766 1.00 0.00 C ATOM 742 CG TYR A 46 -3.014 -4.037 -6.574 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.785 -3.470 -5.325 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.359 -3.179 -7.611 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.887 -2.115 -5.103 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.463 -1.802 -7.384 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.226 -1.289 -6.133 1.00 0.00 C ATOM 748 OH TYR A 46 -3.325 0.068 -5.917 1.00 0.00 O ATOM 0 H TYR A 46 -2.244 -7.958 -6.391 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.204 -5.977 -8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.513 -5.864 -7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.298 -6.063 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.518 -4.115 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.548 -3.577 -8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.700 -1.709 -4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.730 -1.141 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.574 0.515 -6.753 1.00 0.00 H new ATOM 758 N ALA A 47 -0.362 -5.678 -4.930 1.00 0.00 N ATOM 759 CA ALA A 47 0.523 -4.994 -4.052 1.00 0.00 C ATOM 760 C ALA A 47 1.976 -5.242 -4.436 1.00 0.00 C ATOM 761 O ALA A 47 2.755 -4.318 -4.482 1.00 0.00 O ATOM 762 CB ALA A 47 0.229 -5.341 -2.619 1.00 0.00 C ATOM 0 H ALA A 47 -0.895 -6.434 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 47 0.356 -3.922 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.919 -4.806 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.795 -5.055 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.350 -6.414 -2.472 1.00 0.00 H new ATOM 768 N LYS A 48 2.305 -6.479 -4.768 1.00 0.00 N ATOM 769 CA LYS A 48 3.647 -6.842 -5.205 1.00 0.00 C ATOM 770 C LYS A 48 4.014 -6.161 -6.525 1.00 0.00 C ATOM 771 O LYS A 48 5.130 -5.683 -6.677 1.00 0.00 O ATOM 772 CB LYS A 48 3.793 -8.359 -5.316 1.00 0.00 C ATOM 773 CG LYS A 48 3.789 -9.084 -3.977 1.00 0.00 C ATOM 774 CD LYS A 48 3.668 -10.583 -4.174 1.00 0.00 C ATOM 775 CE LYS A 48 3.786 -11.351 -2.861 1.00 0.00 C ATOM 776 NZ LYS A 48 5.114 -11.187 -2.214 1.00 0.00 N ATOM 0 H LYS A 48 1.651 -7.261 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 48 4.345 -6.486 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.980 -8.747 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.723 -8.587 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.706 -8.857 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.960 -8.725 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.709 -10.810 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.444 -10.921 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.009 -11.012 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.606 -12.410 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.213 -11.880 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.864 -11.341 -2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.195 -10.225 -1.826 1.00 0.00 H new ATOM 790 N LYS A 49 3.084 -6.119 -7.477 1.00 0.00 N ATOM 791 CA LYS A 49 3.346 -5.419 -8.741 1.00 0.00 C ATOM 792 C LYS A 49 3.573 -3.932 -8.511 1.00 0.00 C ATOM 793 O LYS A 49 4.518 -3.357 -9.042 1.00 0.00 O ATOM 794 CB LYS A 49 2.249 -5.638 -9.812 1.00 0.00 C ATOM 795 CG LYS A 49 0.837 -5.526 -9.330 1.00 0.00 C ATOM 796 CD LYS A 49 -0.109 -5.124 -10.444 1.00 0.00 C ATOM 797 CE LYS A 49 -0.095 -3.608 -10.613 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.760 -3.164 -11.854 1.00 0.00 N ATOM 0 H LYS A 49 2.162 -6.549 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 49 4.259 -5.863 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.399 -4.913 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.387 -6.627 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.520 -6.481 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.785 -4.792 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.187 -5.606 -11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.119 -5.464 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.588 -3.147 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.937 -3.257 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.811 -2.125 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.217 -3.495 -12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.722 -3.558 -11.893 1.00 0.00 H new ATOM 812 N VAL A 50 2.726 -3.334 -7.687 1.00 0.00 N ATOM 813 CA VAL A 50 2.836 -1.928 -7.360 1.00 0.00 C ATOM 814 C VAL A 50 4.155 -1.646 -6.618 1.00 0.00 C ATOM 815 O VAL A 50 4.933 -0.777 -7.036 1.00 0.00 O ATOM 816 CB VAL A 50 1.583 -1.441 -6.557 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.782 -0.066 -5.975 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.367 -1.418 -7.470 1.00 0.00 C ATOM 0 H VAL A 50 1.948 -3.810 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 50 2.859 -1.354 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 50 1.433 -2.140 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.888 0.230 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.636 -0.078 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.967 0.646 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.503 -1.079 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.550 -0.738 -8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.182 -2.421 -7.855 1.00 0.00 H new ATOM 828 N GLU A 51 4.420 -2.439 -5.581 1.00 0.00 N ATOM 829 CA GLU A 51 5.635 -2.339 -4.766 1.00 0.00 C ATOM 830 C GLU A 51 6.848 -2.465 -5.663 1.00 0.00 C ATOM 831 O GLU A 51 7.747 -1.640 -5.604 1.00 0.00 O ATOM 832 CB GLU A 51 5.603 -3.448 -3.682 1.00 0.00 C ATOM 833 CG GLU A 51 6.729 -3.464 -2.628 1.00 0.00 C ATOM 834 CD GLU A 51 8.051 -4.094 -3.081 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.036 -5.037 -3.905 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.110 -3.727 -2.551 1.00 0.00 O ATOM 0 H GLU A 51 3.789 -3.181 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 51 5.688 -1.373 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.653 -3.371 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.608 -4.412 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.924 -2.438 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.373 -4.002 -1.750 1.00 0.00 H new ATOM 843 N GLY A 52 6.811 -3.460 -6.542 1.00 0.00 N ATOM 844 CA GLY A 52 7.888 -3.709 -7.470 1.00 0.00 C ATOM 845 C GLY A 52 8.149 -2.534 -8.371 1.00 0.00 C ATOM 846 O GLY A 52 9.293 -2.143 -8.556 1.00 0.00 O ATOM 0 H GLY A 52 6.031 -4.112 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.795 -3.947 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.647 -4.582 -8.076 1.00 0.00 H new ATOM 850 N ASP A 53 7.085 -1.944 -8.885 1.00 0.00 N ATOM 851 CA ASP A 53 7.174 -0.793 -9.784 1.00 0.00 C ATOM 852 C ASP A 53 7.934 0.336 -9.136 1.00 0.00 C ATOM 853 O ASP A 53 8.934 0.794 -9.669 1.00 0.00 O ATOM 854 CB ASP A 53 5.784 -0.324 -10.201 1.00 0.00 C ATOM 855 CG ASP A 53 5.820 0.787 -11.228 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.034 0.490 -12.424 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.619 1.971 -10.867 1.00 0.00 O ATOM 0 H ASP A 53 6.129 -2.246 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 53 7.716 -1.105 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.228 -1.169 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.243 0.020 -9.320 1.00 0.00 H new ATOM 862 N MET A 54 7.502 0.733 -7.971 1.00 0.00 N ATOM 863 CA MET A 54 8.173 1.816 -7.229 1.00 0.00 C ATOM 864 C MET A 54 9.554 1.427 -6.733 1.00 0.00 C ATOM 865 O MET A 54 10.458 2.257 -6.687 1.00 0.00 O ATOM 866 CB MET A 54 7.286 2.391 -6.114 1.00 0.00 C ATOM 867 CG MET A 54 6.440 1.396 -5.371 1.00 0.00 C ATOM 868 SD MET A 54 4.709 1.947 -5.252 1.00 0.00 S ATOM 869 CE MET A 54 4.331 2.309 -6.972 1.00 0.00 C ATOM 0 H MET A 54 6.690 0.336 -7.498 1.00 0.00 H new ATOM 0 HA MET A 54 8.333 2.621 -7.946 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.925 2.904 -5.395 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.629 3.144 -6.550 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.482 0.432 -5.877 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.845 1.248 -4.370 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.282 2.086 -7.169 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.522 3.363 -7.172 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.960 1.697 -7.619 1.00 0.00 H new ATOM 879 N TYR A 55 9.721 0.167 -6.421 1.00 0.00 N ATOM 880 CA TYR A 55 10.990 -0.395 -5.981 1.00 0.00 C ATOM 881 C TYR A 55 12.039 -0.240 -7.087 1.00 0.00 C ATOM 882 O TYR A 55 13.137 0.223 -6.851 1.00 0.00 O ATOM 883 CB TYR A 55 10.749 -1.872 -5.642 1.00 0.00 C ATOM 884 CG TYR A 55 11.914 -2.678 -5.147 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.436 -2.490 -3.876 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.449 -3.682 -5.934 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.460 -3.286 -3.406 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.475 -4.470 -5.481 1.00 0.00 C ATOM 889 CZ TYR A 55 13.977 -4.273 -4.219 1.00 0.00 C ATOM 890 OH TYR A 55 14.976 -5.094 -3.756 1.00 0.00 O ATOM 0 H TYR A 55 8.967 -0.519 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 55 11.367 0.126 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.965 -1.918 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.359 -2.361 -6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.035 -1.710 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.051 -3.848 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.853 -3.138 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.886 -5.242 -6.114 1.00 0.00 H new ATOM 0 HH TYR A 55 15.224 -5.734 -4.455 1.00 0.00 H new ATOM 900 N GLU A 56 11.663 -0.575 -8.303 1.00 0.00 N ATOM 901 CA GLU A 56 12.584 -0.483 -9.432 1.00 0.00 C ATOM 902 C GLU A 56 12.686 0.949 -9.938 1.00 0.00 C ATOM 903 O GLU A 56 13.670 1.326 -10.549 1.00 0.00 O ATOM 904 CB GLU A 56 12.150 -1.417 -10.554 1.00 0.00 C ATOM 905 CG GLU A 56 11.855 -2.827 -10.075 1.00 0.00 C ATOM 906 CD GLU A 56 11.636 -3.793 -11.192 1.00 0.00 C ATOM 907 OE1 GLU A 56 10.802 -3.534 -12.076 1.00 0.00 O ATOM 908 OE2 GLU A 56 12.288 -4.835 -11.210 1.00 0.00 O ATOM 0 H GLU A 56 10.731 -0.913 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 56 13.571 -0.791 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.260 -1.009 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.933 -1.453 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.684 -3.176 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.970 -2.810 -9.439 1.00 0.00 H new ATOM 915 N SER A 57 11.687 1.724 -9.660 1.00 0.00 N ATOM 916 CA SER A 57 11.634 3.116 -10.057 1.00 0.00 C ATOM 917 C SER A 57 12.523 4.025 -9.182 1.00 0.00 C ATOM 918 O SER A 57 13.065 5.029 -9.665 1.00 0.00 O ATOM 919 CB SER A 57 10.178 3.570 -10.028 1.00 0.00 C ATOM 920 OG SER A 57 9.440 2.976 -11.084 1.00 0.00 O ATOM 0 H SER A 57 10.865 1.413 -9.142 1.00 0.00 H new ATOM 0 HA SER A 57 12.035 3.203 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.729 3.304 -9.071 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.130 4.656 -10.112 1.00 0.00 H new ATOM 0 HG SER A 57 9.213 2.053 -10.845 1.00 0.00 H new ATOM 926 N ALA A 58 12.693 3.663 -7.933 1.00 0.00 N ATOM 927 CA ALA A 58 13.452 4.478 -6.994 1.00 0.00 C ATOM 928 C ALA A 58 14.950 4.205 -7.034 1.00 0.00 C ATOM 929 O ALA A 58 15.408 3.222 -7.627 1.00 0.00 O ATOM 930 CB ALA A 58 12.947 4.252 -5.603 1.00 0.00 C ATOM 0 H ALA A 58 12.315 2.804 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 58 13.306 5.515 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.518 4.864 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.894 4.527 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.061 3.200 -5.341 1.00 0.00 H new ATOM 936 N ASN A 59 15.704 5.091 -6.401 1.00 0.00 N ATOM 937 CA ASN A 59 17.163 4.954 -6.290 1.00 0.00 C ATOM 938 C ASN A 59 17.545 4.759 -4.828 1.00 0.00 C ATOM 939 O ASN A 59 18.717 4.748 -4.464 1.00 0.00 O ATOM 940 CB ASN A 59 17.882 6.192 -6.885 1.00 0.00 C ATOM 941 CG ASN A 59 18.095 7.369 -5.912 1.00 0.00 C ATOM 942 OD1 ASN A 59 19.144 7.479 -5.257 1.00 0.00 O ATOM 943 ND2 ASN A 59 17.125 8.224 -5.789 1.00 0.00 N ATOM 0 H ASN A 59 15.331 5.925 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 59 17.481 4.082 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.854 5.878 -7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.306 6.549 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.215 9.008 -5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.273 8.111 -6.339 1.00 0.00 H new ATOM 950 N SER A 60 16.550 4.598 -3.996 1.00 0.00 N ATOM 951 CA SER A 60 16.730 4.336 -2.591 1.00 0.00 C ATOM 952 C SER A 60 15.460 3.730 -2.051 1.00 0.00 C ATOM 953 O SER A 60 14.383 3.969 -2.592 1.00 0.00 O ATOM 954 CB SER A 60 17.067 5.607 -1.820 1.00 0.00 C ATOM 955 OG SER A 60 18.292 6.188 -2.248 1.00 0.00 O ATOM 0 H SER A 60 15.572 4.646 -4.281 1.00 0.00 H new ATOM 0 HA SER A 60 17.566 3.648 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.261 6.330 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.128 5.379 -0.756 1.00 0.00 H new ATOM 0 HG SER A 60 18.749 5.574 -2.861 1.00 0.00 H new ATOM 961 N ARG A 61 15.575 2.958 -0.998 1.00 0.00 N ATOM 962 CA ARG A 61 14.414 2.285 -0.421 1.00 0.00 C ATOM 963 C ARG A 61 13.491 3.254 0.272 1.00 0.00 C ATOM 964 O ARG A 61 12.321 3.132 0.189 1.00 0.00 O ATOM 965 CB ARG A 61 14.789 1.124 0.508 1.00 0.00 C ATOM 966 CG ARG A 61 15.431 1.472 1.864 1.00 0.00 C ATOM 967 CD ARG A 61 16.703 2.233 1.698 1.00 0.00 C ATOM 968 NE ARG A 61 17.494 2.267 2.927 1.00 0.00 N ATOM 969 CZ ARG A 61 18.237 3.310 3.357 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.116 4.522 2.802 1.00 0.00 N ATOM 971 NH2 ARG A 61 19.043 3.149 4.387 1.00 0.00 N ATOM 0 H ARG A 61 16.455 2.774 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 61 13.877 1.849 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.886 0.545 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.476 0.471 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.731 2.060 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.627 0.555 2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.293 1.780 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.476 3.253 1.387 1.00 0.00 H new ATOM 0 HE ARG A 61 17.484 1.430 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.454 4.670 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.686 5.297 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.102 2.243 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.608 3.930 4.719 1.00 0.00 H new ATOM 985 N ASP A 62 14.054 4.230 0.901 1.00 0.00 N ATOM 986 CA ASP A 62 13.328 5.290 1.581 1.00 0.00 C ATOM 987 C ASP A 62 12.656 6.180 0.531 1.00 0.00 C ATOM 988 O ASP A 62 11.620 6.763 0.780 1.00 0.00 O ATOM 989 CB ASP A 62 14.326 6.097 2.433 1.00 0.00 C ATOM 990 CG ASP A 62 15.578 6.481 1.656 1.00 0.00 C ATOM 991 OD1 ASP A 62 16.294 5.560 1.178 1.00 0.00 O ATOM 992 OD2 ASP A 62 15.873 7.670 1.501 1.00 0.00 O ATOM 0 H ASP A 62 15.067 4.330 0.968 1.00 0.00 H new ATOM 0 HA ASP A 62 12.557 4.881 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.838 7.000 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.610 5.511 3.307 1.00 0.00 H new ATOM 997 N GLU A 63 13.248 6.231 -0.666 1.00 0.00 N ATOM 998 CA GLU A 63 12.651 6.940 -1.792 1.00 0.00 C ATOM 999 C GLU A 63 11.478 6.157 -2.324 1.00 0.00 C ATOM 1000 O GLU A 63 10.394 6.709 -2.538 1.00 0.00 O ATOM 1001 CB GLU A 63 13.670 7.195 -2.911 1.00 0.00 C ATOM 1002 CG GLU A 63 13.037 7.680 -4.215 1.00 0.00 C ATOM 1003 CD GLU A 63 14.029 8.184 -5.194 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.439 9.340 -5.082 1.00 0.00 O ATOM 1005 OE2 GLU A 63 14.429 7.427 -6.094 1.00 0.00 O ATOM 0 H GLU A 63 14.142 5.787 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 63 12.310 7.911 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.394 7.936 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.222 6.275 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.476 6.861 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.322 8.472 -3.992 1.00 0.00 H new ATOM 1012 N TYR A 64 11.691 4.858 -2.505 1.00 0.00 N ATOM 1013 CA TYR A 64 10.663 3.972 -2.995 1.00 0.00 C ATOM 1014 C TYR A 64 9.516 3.955 -1.998 1.00 0.00 C ATOM 1015 O TYR A 64 8.367 4.061 -2.374 1.00 0.00 O ATOM 1016 CB TYR A 64 11.277 2.564 -3.298 1.00 0.00 C ATOM 1017 CG TYR A 64 10.667 1.388 -2.603 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.564 0.750 -3.128 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.192 0.926 -1.410 1.00 0.00 C ATOM 1020 CE1 TYR A 64 8.999 -0.316 -2.494 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.623 -0.144 -0.758 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.526 -0.758 -1.312 1.00 0.00 C ATOM 1023 OH TYR A 64 8.958 -1.817 -0.692 1.00 0.00 O ATOM 0 H TYR A 64 12.582 4.399 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 64 10.250 4.322 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.213 2.392 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.336 2.595 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.140 1.101 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.059 1.411 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.139 -0.809 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.033 -0.496 0.177 1.00 0.00 H new ATOM 0 HH TYR A 64 8.873 -2.560 -1.326 1.00 0.00 H new ATOM 1033 N TYR A 65 9.890 3.906 -0.728 1.00 0.00 N ATOM 1034 CA TYR A 65 9.002 3.986 0.407 1.00 0.00 C ATOM 1035 C TYR A 65 8.167 5.247 0.311 1.00 0.00 C ATOM 1036 O TYR A 65 6.959 5.206 0.419 1.00 0.00 O ATOM 1037 CB TYR A 65 9.907 4.099 1.649 1.00 0.00 C ATOM 1038 CG TYR A 65 9.248 4.349 2.985 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.528 5.516 3.252 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.377 3.441 3.980 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.957 5.741 4.457 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.823 3.657 5.193 1.00 0.00 C ATOM 1043 CZ TYR A 65 8.102 4.805 5.439 1.00 0.00 C ATOM 1044 OH TYR A 65 7.545 5.020 6.677 1.00 0.00 O ATOM 0 H TYR A 65 10.868 3.805 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 65 8.339 3.122 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.483 3.177 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.619 4.905 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.425 6.259 2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.931 2.531 3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.396 6.646 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.946 2.924 5.976 1.00 0.00 H new ATOM 0 HH TYR A 65 6.894 5.751 6.621 1.00 0.00 H new ATOM 1054 N HIS A 66 8.842 6.360 0.074 1.00 0.00 N ATOM 1055 CA HIS A 66 8.223 7.669 0.063 1.00 0.00 C ATOM 1056 C HIS A 66 7.222 7.787 -1.053 1.00 0.00 C ATOM 1057 O HIS A 66 6.062 8.083 -0.817 1.00 0.00 O ATOM 1058 CB HIS A 66 9.296 8.769 -0.049 1.00 0.00 C ATOM 1059 CG HIS A 66 8.755 10.171 -0.080 1.00 0.00 C ATOM 1060 ND1 HIS A 66 8.683 10.937 -1.219 1.00 0.00 N ATOM 1061 CD2 HIS A 66 8.264 10.939 0.918 1.00 0.00 C ATOM 1062 CE1 HIS A 66 8.161 12.115 -0.891 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.889 12.173 0.401 1.00 0.00 N ATOM 0 H HIS A 66 9.844 6.377 -0.117 1.00 0.00 H new ATOM 0 HA HIS A 66 7.689 7.799 1.004 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.981 8.677 0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.879 8.599 -0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.177 10.641 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.983 12.919 -1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.488 12.959 0.912 1.00 0.00 H new ATOM 1071 N LEU A 67 7.654 7.503 -2.253 1.00 0.00 N ATOM 1072 CA LEU A 67 6.795 7.658 -3.390 1.00 0.00 C ATOM 1073 C LEU A 67 5.662 6.613 -3.371 1.00 0.00 C ATOM 1074 O LEU A 67 4.553 6.887 -3.843 1.00 0.00 O ATOM 1075 CB LEU A 67 7.608 7.711 -4.711 1.00 0.00 C ATOM 1076 CG LEU A 67 8.271 6.429 -5.206 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.324 5.658 -6.071 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.553 6.713 -5.958 1.00 0.00 C ATOM 0 H LEU A 67 8.593 7.165 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 67 6.296 8.625 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.941 8.065 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.388 8.463 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 67 8.528 5.831 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.809 4.745 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.434 5.400 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.038 6.266 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.994 5.774 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.336 7.341 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.254 7.228 -5.301 1.00 0.00 H new ATOM 1090 N LEU A 68 5.929 5.428 -2.789 1.00 0.00 N ATOM 1091 CA LEU A 68 4.894 4.418 -2.664 1.00 0.00 C ATOM 1092 C LEU A 68 3.881 4.884 -1.638 1.00 0.00 C ATOM 1093 O LEU A 68 2.676 4.720 -1.833 1.00 0.00 O ATOM 1094 CB LEU A 68 5.468 3.001 -2.314 1.00 0.00 C ATOM 1095 CG LEU A 68 5.747 2.608 -0.853 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.475 2.149 -0.151 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.771 1.515 -0.810 1.00 0.00 C ATOM 0 H LEU A 68 6.838 5.162 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 68 4.406 4.299 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.773 2.264 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.404 2.890 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 68 6.124 3.487 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.706 1.878 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.743 2.957 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.065 1.283 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.966 1.240 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.399 0.646 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.695 1.863 -1.273 1.00 0.00 H new ATOM 1109 N ALA A 69 4.383 5.504 -0.550 1.00 0.00 N ATOM 1110 CA ALA A 69 3.549 6.008 0.502 1.00 0.00 C ATOM 1111 C ALA A 69 2.637 7.105 -0.033 1.00 0.00 C ATOM 1112 O ALA A 69 1.490 7.202 0.360 1.00 0.00 O ATOM 1113 CB ALA A 69 4.401 6.475 1.687 1.00 0.00 C ATOM 0 H ALA A 69 5.380 5.657 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 69 2.908 5.208 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.751 6.854 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.984 5.637 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.075 7.267 1.361 1.00 0.00 H new ATOM 1119 N GLU A 70 3.148 7.871 -0.976 1.00 0.00 N ATOM 1120 CA GLU A 70 2.384 8.916 -1.642 1.00 0.00 C ATOM 1121 C GLU A 70 1.322 8.330 -2.578 1.00 0.00 C ATOM 1122 O GLU A 70 0.197 8.850 -2.676 1.00 0.00 O ATOM 1123 CB GLU A 70 3.318 9.834 -2.423 1.00 0.00 C ATOM 1124 CG GLU A 70 4.267 10.614 -1.544 1.00 0.00 C ATOM 1125 CD GLU A 70 3.544 11.588 -0.651 1.00 0.00 C ATOM 1126 OE1 GLU A 70 3.094 11.196 0.438 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.426 12.773 -1.041 1.00 0.00 O ATOM 0 H GLU A 70 4.110 7.788 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 70 1.870 9.492 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.896 9.237 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.722 10.532 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.844 9.922 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.977 11.155 -2.169 1.00 0.00 H new ATOM 1134 N LYS A 71 1.653 7.250 -3.274 1.00 0.00 N ATOM 1135 CA LYS A 71 0.686 6.678 -4.178 1.00 0.00 C ATOM 1136 C LYS A 71 -0.378 5.901 -3.425 1.00 0.00 C ATOM 1137 O LYS A 71 -1.548 5.919 -3.800 1.00 0.00 O ATOM 1138 CB LYS A 71 1.325 5.889 -5.359 1.00 0.00 C ATOM 1139 CG LYS A 71 1.966 4.525 -5.058 1.00 0.00 C ATOM 1140 CD LYS A 71 0.946 3.371 -4.938 1.00 0.00 C ATOM 1141 CE LYS A 71 0.041 3.226 -6.180 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.799 3.039 -7.445 1.00 0.00 N ATOM 0 H LYS A 71 2.553 6.772 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 71 0.178 7.510 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.553 5.735 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.088 6.524 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.679 4.287 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.531 4.596 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.483 2.436 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.322 3.536 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.627 2.377 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.586 4.113 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.273 3.470 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.731 3.493 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.924 2.023 -7.628 1.00 0.00 H new ATOM 1156 N ILE A 72 0.005 5.244 -2.345 1.00 0.00 N ATOM 1157 CA ILE A 72 -0.969 4.540 -1.547 1.00 0.00 C ATOM 1158 C ILE A 72 -1.889 5.573 -0.880 1.00 0.00 C ATOM 1159 O ILE A 72 -3.083 5.386 -0.807 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.323 3.550 -0.506 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.382 2.717 0.183 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.524 4.242 0.521 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.843 1.849 1.300 1.00 0.00 C ATOM 0 H ILE A 72 0.966 5.186 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.557 3.897 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 72 0.334 2.900 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.147 3.380 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.869 2.081 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.939 3.504 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.336 4.773 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.087 4.952 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.660 1.282 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.099 1.160 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.381 2.479 2.060 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.293 6.693 -0.487 1.00 0.00 N ATOM 1176 CA TYR A 73 -1.978 7.863 0.063 1.00 0.00 C ATOM 1177 C TYR A 73 -3.102 8.337 -0.866 1.00 0.00 C ATOM 1178 O TYR A 73 -4.253 8.466 -0.437 1.00 0.00 O ATOM 1179 CB TYR A 73 -0.903 8.967 0.292 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.344 10.425 0.346 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.540 11.137 -0.831 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.511 11.092 1.543 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -1.901 12.454 -0.820 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -1.875 12.424 1.563 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.066 13.096 0.370 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.461 14.412 0.372 1.00 0.00 O ATOM 0 H TYR A 73 -0.282 6.818 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.460 7.616 1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.394 8.742 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.163 8.876 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.403 10.636 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.355 10.567 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.055 12.983 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.009 12.937 2.504 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.802 14.652 -0.515 1.00 0.00 H new ATOM 1196 N LYS A 74 -2.769 8.563 -2.135 1.00 0.00 N ATOM 1197 CA LYS A 74 -3.739 9.068 -3.095 1.00 0.00 C ATOM 1198 C LYS A 74 -4.813 8.026 -3.377 1.00 0.00 C ATOM 1199 O LYS A 74 -5.961 8.375 -3.625 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.069 9.556 -4.390 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.479 8.459 -5.256 1.00 0.00 C ATOM 1202 CD LYS A 74 -1.733 9.011 -6.461 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.546 9.879 -6.059 1.00 0.00 C ATOM 1204 NZ LYS A 74 0.165 10.387 -7.232 1.00 0.00 N ATOM 0 H LYS A 74 -1.837 8.404 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.222 9.937 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.804 10.107 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.278 10.259 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.799 7.853 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.277 7.800 -5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.383 8.184 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.419 9.598 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.894 10.715 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.138 9.299 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.967 10.974 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.517 9.588 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.483 10.961 -7.809 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.431 6.752 -3.317 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.362 5.656 -3.499 1.00 0.00 C ATOM 1220 C ILE A 75 -6.378 5.638 -2.363 1.00 0.00 C ATOM 1221 O ILE A 75 -7.586 5.517 -2.604 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.608 4.269 -3.633 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.386 3.879 -5.102 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.301 3.130 -2.892 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -3.603 4.873 -5.931 1.00 0.00 C ATOM 0 H ILE A 75 -3.470 6.458 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.899 5.812 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.640 4.423 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.867 2.921 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.359 3.729 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.732 2.210 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.360 3.369 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.307 2.996 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.505 4.499 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.127 5.829 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.612 5.008 -5.497 1.00 0.00 H new ATOM 1237 N GLN A 76 -5.885 5.836 -1.140 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.727 5.796 0.042 1.00 0.00 C ATOM 1239 C GLN A 76 -7.745 6.863 0.005 1.00 0.00 C ATOM 1240 O GLN A 76 -8.935 6.593 0.081 1.00 0.00 O ATOM 1241 CB GLN A 76 -5.930 5.925 1.327 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.925 4.833 1.491 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.423 4.695 2.906 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.127 4.996 3.867 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.213 4.221 3.052 1.00 0.00 N ATOM 0 H GLN A 76 -4.901 6.026 -0.948 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.212 4.820 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.420 6.888 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.613 5.916 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.369 3.889 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.080 5.024 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.657 3.982 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.826 4.091 3.987 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.299 8.079 -0.166 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.186 9.159 -0.143 1.00 0.00 C ATOM 1256 C LYS A 77 -9.114 9.167 -1.332 1.00 0.00 C ATOM 1257 O LYS A 77 -10.214 9.644 -1.209 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.453 10.441 0.045 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.349 10.671 -0.957 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.756 12.032 -0.783 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.405 12.330 0.670 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.110 13.766 0.892 1.00 0.00 N ATOM 0 H LYS A 77 -6.321 8.324 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.838 9.039 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.163 11.266 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.028 10.461 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.575 9.913 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.741 10.566 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.858 12.115 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.460 12.781 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.233 12.028 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.541 11.734 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.372 14.028 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.094 13.938 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.656 14.341 0.219 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.677 8.600 -2.471 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.533 8.514 -3.647 1.00 0.00 C ATOM 1278 C GLU A 78 -10.726 7.648 -3.296 1.00 0.00 C ATOM 1279 O GLU A 78 -11.871 8.079 -3.420 1.00 0.00 O ATOM 1280 CB GLU A 78 -8.767 7.909 -4.846 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.375 8.187 -6.231 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.692 7.491 -6.512 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -10.781 6.264 -6.351 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.629 8.154 -6.992 1.00 0.00 O ATOM 0 H GLU A 78 -7.746 8.202 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.860 9.512 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.747 8.292 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.704 6.830 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.521 9.262 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.655 7.887 -6.992 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.455 6.456 -2.779 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.514 5.545 -2.443 1.00 0.00 C ATOM 1293 C LEU A 79 -12.392 6.092 -1.337 1.00 0.00 C ATOM 1294 O LEU A 79 -13.611 5.961 -1.396 1.00 0.00 O ATOM 1295 CB LEU A 79 -10.994 4.113 -2.172 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.004 3.894 -1.014 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -10.712 3.666 0.313 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.068 2.755 -1.330 1.00 0.00 C ATOM 0 H LEU A 79 -9.515 6.110 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.157 5.454 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.860 3.475 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.519 3.755 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.420 4.808 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.972 3.516 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.325 4.535 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.347 2.783 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.374 2.613 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.644 1.842 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.508 2.985 -2.236 1.00 0.00 H new ATOM 1310 N GLU A 80 -11.776 6.757 -0.376 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.498 7.352 0.718 1.00 0.00 C ATOM 1312 C GLU A 80 -13.393 8.512 0.245 1.00 0.00 C ATOM 1313 O GLU A 80 -14.556 8.620 0.665 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.549 7.796 1.840 1.00 0.00 C ATOM 1315 CG GLU A 80 -10.828 6.646 2.559 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.040 7.100 3.778 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -8.882 7.580 3.644 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -10.578 7.003 4.906 1.00 0.00 O ATOM 0 H GLU A 80 -10.766 6.896 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.155 6.585 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.802 8.470 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.117 8.367 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.562 5.901 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.151 6.156 1.859 1.00 0.00 H new ATOM 1325 N GLU A 81 -12.889 9.345 -0.660 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.657 10.487 -1.124 1.00 0.00 C ATOM 1327 C GLU A 81 -14.798 10.100 -2.035 1.00 0.00 C ATOM 1328 O GLU A 81 -15.902 10.638 -1.892 1.00 0.00 O ATOM 1329 CB GLU A 81 -12.796 11.601 -1.752 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.014 11.249 -3.001 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.145 12.392 -3.468 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -10.415 12.977 -2.637 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -11.152 12.718 -4.676 1.00 0.00 O ATOM 0 H GLU A 81 -11.964 9.250 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.093 10.907 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.449 12.441 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.090 11.948 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.390 10.377 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.707 10.972 -3.796 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.555 9.181 -2.951 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.582 8.768 -3.881 1.00 0.00 C ATOM 1342 C LYS A 82 -16.646 7.885 -3.230 1.00 0.00 C ATOM 1343 O LYS A 82 -17.828 8.008 -3.543 1.00 0.00 O ATOM 1344 CB LYS A 82 -14.985 8.203 -5.196 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.112 6.978 -5.064 1.00 0.00 C ATOM 1346 CD LYS A 82 -14.864 5.694 -5.262 1.00 0.00 C ATOM 1347 CE LYS A 82 -13.924 4.516 -5.135 1.00 0.00 C ATOM 1348 NZ LYS A 82 -12.791 4.571 -6.110 1.00 0.00 N ATOM 0 H LYS A 82 -13.658 8.710 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.126 9.663 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.808 7.965 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.400 8.990 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.304 7.035 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.650 6.973 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.662 5.613 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.336 5.688 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.524 4.484 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.483 3.593 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.227 3.700 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.168 4.659 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.189 5.392 -5.897 1.00 0.00 H new ATOM 1587 N THR B 110 -0.012 11.032 8.651 1.00 0.00 N ATOM 1588 CA THR B 110 -0.615 9.826 9.116 1.00 0.00 C ATOM 1589 C THR B 110 -0.124 8.640 8.299 1.00 0.00 C ATOM 1590 O THR B 110 0.250 7.626 8.846 1.00 0.00 O ATOM 1591 CB THR B 110 -2.140 9.934 8.995 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.575 11.164 9.602 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.807 8.771 9.688 1.00 0.00 C ATOM 0 HA THR B 110 -0.339 9.675 10.160 1.00 0.00 H new ATOM 0 HB THR B 110 -2.415 9.919 7.940 1.00 0.00 H new ATOM 0 HG1 THR B 110 -1.820 11.786 9.658 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.889 8.863 9.593 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.480 7.838 9.229 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.534 8.771 10.743 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.070 8.817 6.994 1.00 0.00 N ATOM 1602 CA LEU B 111 0.324 7.761 6.084 1.00 0.00 C ATOM 1603 C LEU B 111 1.770 7.332 6.328 1.00 0.00 C ATOM 1604 O LEU B 111 2.042 6.140 6.567 1.00 0.00 O ATOM 1605 CB LEU B 111 0.108 8.173 4.601 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.357 8.339 4.085 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.160 7.079 4.282 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.083 9.530 4.702 1.00 0.00 C ATOM 0 H LEU B 111 -0.298 9.698 6.534 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.319 6.904 6.284 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.627 9.118 4.439 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.599 7.429 3.974 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.269 8.538 3.017 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.174 7.232 3.912 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.693 6.261 3.734 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.195 6.832 5.343 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.095 9.587 4.300 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.128 9.408 5.784 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.545 10.448 4.463 1.00 0.00 H new ATOM 1620 N GLN B 112 2.688 8.293 6.337 1.00 0.00 N ATOM 1621 CA GLN B 112 4.097 7.952 6.532 1.00 0.00 C ATOM 1622 C GLN B 112 4.378 7.456 7.937 1.00 0.00 C ATOM 1623 O GLN B 112 5.079 6.453 8.106 1.00 0.00 O ATOM 1624 CB GLN B 112 5.072 9.077 6.217 1.00 0.00 C ATOM 1625 CG GLN B 112 5.123 9.553 4.783 1.00 0.00 C ATOM 1626 CD GLN B 112 6.398 10.367 4.508 1.00 0.00 C ATOM 1627 OE1 GLN B 112 7.495 10.001 5.151 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 6.413 11.293 3.697 1.00 0.00 N flip ATOM 0 H GLN B 112 2.493 9.287 6.216 1.00 0.00 H new ATOM 0 HA GLN B 112 4.266 7.155 5.808 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.823 9.929 6.849 1.00 0.00 H new ATOM 0 HB3 GLN B 112 6.072 8.750 6.502 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.085 8.695 4.112 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.246 10.164 4.569 1.00 0.00 H new ATOM 0 HE21 GLN B 112 5.556 11.560 3.212 1.00 0.00 H new ATOM 0 HE22 GLN B 112 7.282 11.793 3.510 1.00 0.00 H new ATOM 1637 N ASP B 113 3.824 8.138 8.936 1.00 0.00 N ATOM 1638 CA ASP B 113 4.057 7.768 10.332 1.00 0.00 C ATOM 1639 C ASP B 113 3.508 6.398 10.625 1.00 0.00 C ATOM 1640 O ASP B 113 4.168 5.598 11.299 1.00 0.00 O ATOM 1641 CB ASP B 113 3.476 8.795 11.309 1.00 0.00 C ATOM 1642 CG ASP B 113 3.678 8.403 12.760 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.769 8.640 13.309 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.748 7.858 13.377 1.00 0.00 O ATOM 0 H ASP B 113 3.214 8.945 8.808 1.00 0.00 H new ATOM 0 HA ASP B 113 5.137 7.753 10.478 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.942 9.764 11.131 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.410 8.913 11.114 1.00 0.00 H new ATOM 1649 N LEU B 114 2.315 6.102 10.085 1.00 0.00 N ATOM 1650 CA LEU B 114 1.694 4.787 10.255 1.00 0.00 C ATOM 1651 C LEU B 114 2.636 3.752 9.706 1.00 0.00 C ATOM 1652 O LEU B 114 2.906 2.759 10.356 1.00 0.00 O ATOM 1653 CB LEU B 114 0.295 4.729 9.554 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.593 3.450 9.709 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.085 2.264 8.891 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -0.734 3.065 11.175 1.00 0.00 C ATOM 0 H LEU B 114 1.765 6.757 9.529 1.00 0.00 H new ATOM 0 HA LEU B 114 1.515 4.591 11.312 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.287 5.576 9.916 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.457 4.886 8.488 1.00 0.00 H new ATOM 0 HG LEU B 114 -1.574 3.707 9.310 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -0.744 1.409 9.042 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -0.072 2.530 7.834 1.00 0.00 H new ATOM 0 HD13 LEU B 114 0.924 2.006 9.213 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.355 2.173 11.259 1.00 0.00 H new ATOM 0 HD22 LEU B 114 0.251 2.861 11.594 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.199 3.884 11.723 1.00 0.00 H new ATOM 1668 N LEU B 115 3.174 4.020 8.526 1.00 0.00 N ATOM 1669 CA LEU B 115 4.133 3.126 7.931 1.00 0.00 C ATOM 1670 C LEU B 115 5.335 2.906 8.822 1.00 0.00 C ATOM 1671 O LEU B 115 5.597 1.788 9.203 1.00 0.00 O ATOM 1672 CB LEU B 115 4.628 3.623 6.605 1.00 0.00 C ATOM 1673 CG LEU B 115 3.656 3.657 5.438 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.389 4.073 4.183 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.964 2.312 5.247 1.00 0.00 C ATOM 0 H LEU B 115 2.959 4.848 7.970 1.00 0.00 H new ATOM 0 HA LEU B 115 3.599 2.186 7.793 1.00 0.00 H new ATOM 0 HB2 LEU B 115 5.008 4.634 6.750 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.476 3.003 6.313 1.00 0.00 H new ATOM 0 HG LEU B 115 2.877 4.388 5.655 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.692 4.097 3.346 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.820 5.064 4.325 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.184 3.358 3.972 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.276 2.373 4.404 1.00 0.00 H new ATOM 0 HD22 LEU B 115 3.711 1.543 5.051 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.409 2.057 6.150 1.00 0.00 H new ATOM 1687 N THR B 116 6.041 3.983 9.173 1.00 0.00 N ATOM 1688 CA THR B 116 7.277 3.901 9.960 1.00 0.00 C ATOM 1689 C THR B 116 7.047 3.147 11.275 1.00 0.00 C ATOM 1690 O THR B 116 7.857 2.306 11.684 1.00 0.00 O ATOM 1691 CB THR B 116 7.810 5.321 10.279 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.906 6.076 9.068 1.00 0.00 O ATOM 1693 CG2 THR B 116 9.189 5.258 10.927 1.00 0.00 C ATOM 0 H THR B 116 5.774 4.935 8.921 1.00 0.00 H new ATOM 0 HA THR B 116 8.010 3.358 9.364 1.00 0.00 H new ATOM 0 HB THR B 116 7.116 5.796 10.973 1.00 0.00 H new ATOM 0 HG1 THR B 116 7.865 5.469 8.300 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.538 6.269 11.140 1.00 0.00 H new ATOM 0 HG22 THR B 116 9.129 4.692 11.857 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.888 4.768 10.249 1.00 0.00 H new ATOM 1701 N SER B 117 5.916 3.385 11.871 1.00 0.00 N ATOM 1702 CA SER B 117 5.628 2.800 13.158 1.00 0.00 C ATOM 1703 C SER B 117 5.228 1.343 13.031 1.00 0.00 C ATOM 1704 O SER B 117 5.718 0.482 13.762 1.00 0.00 O ATOM 1705 CB SER B 117 4.582 3.625 13.927 1.00 0.00 C ATOM 1706 OG SER B 117 3.424 3.869 13.145 1.00 0.00 O ATOM 0 H SER B 117 5.177 3.977 11.493 1.00 0.00 H new ATOM 0 HA SER B 117 6.546 2.824 13.745 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.301 3.097 14.838 1.00 0.00 H new ATOM 0 HB3 SER B 117 5.021 4.575 14.232 1.00 0.00 H new ATOM 0 HG SER B 117 3.601 4.602 12.519 1.00 0.00 H new ATOM 1712 N ASP B 118 4.398 1.055 12.077 1.00 0.00 N ATOM 1713 CA ASP B 118 3.898 -0.278 11.914 1.00 0.00 C ATOM 1714 C ASP B 118 4.981 -1.194 11.315 1.00 0.00 C ATOM 1715 O ASP B 118 5.142 -2.319 11.741 1.00 0.00 O ATOM 1716 CB ASP B 118 2.608 -0.248 11.073 1.00 0.00 C ATOM 1717 CG ASP B 118 1.756 -1.498 11.186 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.674 -2.084 12.283 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.077 -1.859 10.206 1.00 0.00 O ATOM 0 H ASP B 118 4.050 1.728 11.395 1.00 0.00 H new ATOM 0 HA ASP B 118 3.644 -0.698 12.887 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.011 0.612 11.376 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.874 -0.098 10.027 1.00 0.00 H new ATOM 1724 N SER B 119 5.780 -0.677 10.393 1.00 0.00 N ATOM 1725 CA SER B 119 6.814 -1.491 9.735 1.00 0.00 C ATOM 1726 C SER B 119 8.039 -1.726 10.612 1.00 0.00 C ATOM 1727 O SER B 119 8.474 -2.864 10.815 1.00 0.00 O ATOM 1728 CB SER B 119 7.240 -0.871 8.392 1.00 0.00 C ATOM 1729 OG SER B 119 7.714 0.455 8.557 1.00 0.00 O ATOM 0 H SER B 119 5.740 0.293 10.080 1.00 0.00 H new ATOM 0 HA SER B 119 6.356 -2.463 9.553 1.00 0.00 H new ATOM 0 HB2 SER B 119 8.020 -1.483 7.939 1.00 0.00 H new ATOM 0 HB3 SER B 119 6.394 -0.873 7.705 1.00 0.00 H new ATOM 0 HG SER B 119 6.954 1.073 8.583 1.00 0.00 H new ATOM 1958 N MET B 141 -14.067 0.368 -5.566 1.00 0.00 N ATOM 1959 CA MET B 141 -12.657 0.549 -5.866 1.00 0.00 C ATOM 1960 C MET B 141 -12.131 -0.662 -6.631 1.00 0.00 C ATOM 1961 O MET B 141 -11.354 -0.535 -7.556 1.00 0.00 O ATOM 1962 CB MET B 141 -11.896 0.685 -4.538 1.00 0.00 C ATOM 1963 CG MET B 141 -10.454 1.126 -4.668 1.00 0.00 C ATOM 1964 SD MET B 141 -10.334 2.794 -5.333 1.00 0.00 S ATOM 1965 CE MET B 141 -8.558 3.050 -5.282 1.00 0.00 C ATOM 0 HA MET B 141 -12.517 1.440 -6.478 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.423 1.400 -3.906 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.921 -0.275 -4.022 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.971 1.086 -3.692 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.918 0.434 -5.318 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.305 3.674 -4.425 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.054 2.088 -5.192 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.235 3.544 -6.198 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.628 -1.819 -6.253 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.243 -3.107 -6.805 1.00 0.00 C ATOM 1977 C GLU B 142 -12.377 -3.149 -8.366 1.00 0.00 C ATOM 1978 O GLU B 142 -11.671 -3.900 -9.031 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.083 -4.193 -6.140 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.505 -5.591 -6.212 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.421 -6.602 -5.560 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -14.483 -6.929 -6.157 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -13.107 -7.094 -4.464 1.00 0.00 O ATOM 0 H GLU B 142 -13.339 -1.896 -5.525 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.188 -3.280 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -13.225 -3.929 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -14.070 -4.201 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -12.341 -5.865 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -11.532 -5.610 -5.721 1.00 0.00 H new ATOM 1990 N SER B 143 -13.279 -2.340 -8.931 1.00 0.00 N ATOM 1991 CA SER B 143 -13.472 -2.266 -10.387 1.00 0.00 C ATOM 1992 C SER B 143 -12.185 -1.743 -11.088 1.00 0.00 C ATOM 1993 O SER B 143 -11.544 -2.466 -11.921 1.00 0.00 O ATOM 1994 CB SER B 143 -14.646 -1.330 -10.679 1.00 0.00 C ATOM 1995 OG SER B 143 -15.761 -1.658 -9.857 1.00 0.00 O ATOM 0 H SER B 143 -13.892 -1.722 -8.399 1.00 0.00 H new ATOM 0 HA SER B 143 -13.684 -3.263 -10.774 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.348 -0.297 -10.502 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.926 -1.405 -11.730 1.00 0.00 H new ATOM 0 HG SER B 143 -16.503 -1.049 -10.054 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.766 -0.514 -10.705 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.554 0.100 -11.259 1.00 0.00 C ATOM 2003 C ILE B 144 -9.353 -0.750 -10.882 1.00 0.00 C ATOM 2004 O ILE B 144 -8.360 -0.820 -11.607 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.328 1.574 -10.769 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.239 1.640 -9.233 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -11.437 2.485 -11.286 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.848 2.981 -8.660 1.00 0.00 C ATOM 0 H ILE B 144 -12.252 0.063 -10.018 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.679 0.145 -12.341 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.378 1.923 -11.174 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -11.206 1.356 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -9.517 0.896 -8.896 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.264 3.503 -10.937 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -11.441 2.471 -12.376 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -12.400 2.133 -10.915 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.815 2.916 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.865 3.265 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -10.581 3.731 -8.957 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.489 -1.419 -9.757 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.506 -2.317 -9.257 1.00 0.00 C ATOM 2022 C ILE B 145 -8.324 -3.516 -10.154 1.00 0.00 C ATOM 2023 O ILE B 145 -7.215 -3.889 -10.416 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.827 -2.734 -7.818 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.587 -1.559 -6.850 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.151 -4.032 -7.389 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.248 -0.850 -7.021 1.00 0.00 C ATOM 0 H ILE B 145 -10.312 -1.342 -9.160 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.554 -1.786 -9.248 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.889 -2.975 -7.779 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.387 -0.830 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.658 -1.929 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.425 -4.262 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.475 -4.843 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.069 -3.919 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.171 -0.039 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.437 -1.560 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.178 -0.444 -8.030 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.403 -4.105 -10.638 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.270 -5.217 -11.555 1.00 0.00 C ATOM 2041 C ARG B 146 -8.603 -4.805 -12.832 1.00 0.00 C ATOM 2042 O ARG B 146 -7.701 -5.503 -13.319 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.568 -5.984 -11.782 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.878 -6.909 -10.629 1.00 0.00 C ATOM 2045 CD ARG B 146 -12.131 -7.721 -10.842 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.304 -8.681 -9.748 1.00 0.00 N ATOM 2047 CZ ARG B 146 -13.108 -8.506 -8.707 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -13.971 -7.503 -8.692 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -13.072 -9.355 -7.681 1.00 0.00 N ATOM 0 H ARG B 146 -10.362 -3.837 -10.416 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.609 -5.934 -11.067 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.389 -5.279 -11.914 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.493 -6.562 -12.703 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -10.036 -7.584 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.984 -6.321 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -12.996 -7.060 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -12.073 -8.249 -11.794 1.00 0.00 H new ATOM 0 HE ARG B 146 -11.767 -9.547 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -14.020 -6.861 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -14.587 -7.372 -7.890 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -12.425 -10.143 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -13.692 -9.217 -6.883 1.00 0.00 H new ATOM 2063 N SER B 147 -8.963 -3.631 -13.338 1.00 0.00 N ATOM 2064 CA SER B 147 -8.298 -3.132 -14.534 1.00 0.00 C ATOM 2065 C SER B 147 -6.798 -2.804 -14.256 1.00 0.00 C ATOM 2066 O SER B 147 -5.949 -2.877 -15.142 1.00 0.00 O ATOM 2067 CB SER B 147 -9.082 -1.949 -15.137 1.00 0.00 C ATOM 2068 OG SER B 147 -9.537 -1.052 -14.122 1.00 0.00 O ATOM 0 H SER B 147 -9.687 -3.024 -12.954 1.00 0.00 H new ATOM 0 HA SER B 147 -8.293 -3.919 -15.288 1.00 0.00 H new ATOM 0 HB2 SER B 147 -8.447 -1.411 -15.841 1.00 0.00 H new ATOM 0 HB3 SER B 147 -9.936 -2.326 -15.701 1.00 0.00 H new ATOM 0 HG SER B 147 -8.893 -1.040 -13.383 1.00 0.00 H new ATOM 2074 N GLU B 148 -6.496 -2.496 -13.005 1.00 0.00 N ATOM 2075 CA GLU B 148 -5.146 -2.192 -12.567 1.00 0.00 C ATOM 2076 C GLU B 148 -4.313 -3.479 -12.326 1.00 0.00 C ATOM 2077 O GLU B 148 -3.217 -3.612 -12.839 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.215 -1.315 -11.306 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.884 -0.934 -10.682 1.00 0.00 C ATOM 2080 CD GLU B 148 -2.953 -0.237 -11.623 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -3.171 0.934 -11.929 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -1.974 -0.856 -12.060 1.00 0.00 O ATOM 0 H GLU B 148 -7.189 -2.450 -12.258 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.633 -1.643 -13.356 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.752 -0.399 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.808 -1.839 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -4.068 -0.289 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -3.399 -1.835 -10.306 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.850 -4.430 -11.576 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.116 -5.652 -11.220 1.00 0.00 C ATOM 2091 C LEU B 149 -3.864 -6.529 -12.445 1.00 0.00 C ATOM 2092 O LEU B 149 -2.862 -7.247 -12.508 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.836 -6.449 -10.074 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.245 -6.999 -10.363 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.221 -8.327 -11.122 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.037 -7.119 -9.091 1.00 0.00 C ATOM 0 H LEU B 149 -5.796 -4.385 -11.197 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.144 -5.346 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.198 -7.288 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.902 -5.798 -9.202 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.737 -6.280 -11.018 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.243 -8.665 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -5.715 -8.191 -12.078 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -5.688 -9.073 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.030 -7.509 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.527 -7.797 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.130 -6.137 -8.626 1.00 0.00 H new ATOM 2108 N MET B 150 -4.773 -6.440 -13.423 1.00 0.00 N ATOM 2109 CA MET B 150 -4.687 -7.239 -14.641 1.00 0.00 C ATOM 2110 C MET B 150 -3.479 -6.823 -15.493 1.00 0.00 C ATOM 2111 O MET B 150 -2.890 -7.645 -16.209 1.00 0.00 O ATOM 2112 CB MET B 150 -5.991 -7.098 -15.437 1.00 0.00 C ATOM 2113 CG MET B 150 -6.130 -8.034 -16.629 1.00 0.00 C ATOM 2114 SD MET B 150 -6.070 -9.794 -16.172 1.00 0.00 S ATOM 2115 CE MET B 150 -7.389 -9.895 -14.948 1.00 0.00 C ATOM 0 H MET B 150 -5.580 -5.817 -13.389 1.00 0.00 H new ATOM 0 HA MET B 150 -4.547 -8.285 -14.367 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.830 -7.269 -14.762 1.00 0.00 H new ATOM 0 HB3 MET B 150 -6.072 -6.070 -15.792 1.00 0.00 H new ATOM 0 HG2 MET B 150 -7.073 -7.829 -17.135 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.333 -7.824 -17.342 1.00 0.00 H new ATOM 0 HE1 MET B 150 -7.648 -10.940 -14.777 1.00 0.00 H new ATOM 0 HE2 MET B 150 -7.053 -9.447 -14.013 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.265 -9.359 -15.313 1.00 0.00 H new