USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=28 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 180:sc= 1 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 165:sc= 1.48 (180deg=0.0161) USER MOD Set 2.1: A 54 MET CE :methyl 153:sc= -1.94 (180deg=-2.7!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -120:sc=-0.00331 (180deg=-0.35) USER MOD Set 3.1: A 65 TYR OH : rot -56:sc= -0.464 USER MOD Set 3.2: B 116 THR OG1 : rot 79:sc= 1.29 USER MOD Set 4.1: A 17 HIS : no HE2:sc= -2.59! C(o=-0.19!,f=-14!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 172:sc= 2.4 (180deg=1.07) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00485 USER MOD Single : A 12 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.034) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 24 GLN : amide:sc=-0.000575 X(o=-0.00057,f=-0.27) USER MOD Single : A 29 THR OG1 : rot -102:sc= -0.263 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -1.02 (180deg=-2.92!) USER MOD Single : A 40 MET CE :methyl -121:sc= -2.43! (180deg=-4.91!) USER MOD Single : A 42 ASN : amide:sc= -2.29 K(o=-2.3,f=-5.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0123 (180deg=-0.137) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.09) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00908 K(o=-0.0091,f=-0.67) USER MOD Single : A 60 SER OG : rot -5:sc= 0.337 USER MOD Single : A 64 TYR OH : rot 66:sc= 0.879 USER MOD Single : A 66 HIS : no HD1:sc= -0.0815 X(o=-0.082,f=-0.059) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.33 K(o=-1.3,f=-2!) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0708) USER MOD Single : B 110 THR OG1 : rot 180:sc= 0 USER MOD Single : B 112 GLN : amide:sc= -0.0858 K(o=-0.086,f=-0.74) USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 SER OG : rot -77:sc= 1.27 USER MOD Single : B 141 MET CE :methyl -155:sc= -0.936 (180deg=-2.86) USER MOD Single : B 143 SER OG : rot 180:sc= 0.0849 USER MOD Single : B 147 SER OG : rot 29:sc= 0.505 USER MOD Single : B 150 MET CE :methyl 176:sc= -0.97 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.200 -1.261 -5.892 1.00 0.00 N ATOM 73 CA GLY A 5 22.965 -1.574 -4.687 1.00 0.00 C ATOM 74 C GLY A 5 22.215 -1.384 -3.380 1.00 0.00 C ATOM 75 O GLY A 5 22.475 -2.098 -2.401 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.301 -2.609 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.858 -0.949 -4.670 1.00 0.00 H new ATOM 79 N TRP A 6 21.281 -0.458 -3.353 1.00 0.00 N ATOM 80 CA TRP A 6 20.486 -0.207 -2.161 1.00 0.00 C ATOM 81 C TRP A 6 19.548 -1.377 -1.817 1.00 0.00 C ATOM 82 O TRP A 6 18.908 -1.358 -0.764 1.00 0.00 O ATOM 83 CB TRP A 6 19.699 1.112 -2.262 1.00 0.00 C ATOM 84 CG TRP A 6 18.777 1.205 -3.432 1.00 0.00 C ATOM 85 CD1 TRP A 6 19.062 1.755 -4.635 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.419 0.749 -3.513 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.974 1.683 -5.450 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.955 1.067 -4.792 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.556 0.105 -2.630 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.672 0.772 -5.214 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.278 -0.191 -3.051 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.848 0.143 -4.332 1.00 0.00 C ATOM 0 H TRP A 6 21.049 0.139 -4.147 1.00 0.00 H new ATOM 0 HA TRP A 6 21.198 -0.113 -1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.118 1.243 -1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.408 1.939 -2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 6 20.013 2.188 -4.908 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.930 2.036 -6.406 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.882 -0.157 -1.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.336 1.031 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.599 -0.690 -2.376 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.840 -0.102 -4.632 1.00 0.00 H new ATOM 103 N HIS A 7 19.460 -2.387 -2.706 1.00 0.00 N ATOM 104 CA HIS A 7 18.623 -3.578 -2.464 1.00 0.00 C ATOM 105 C HIS A 7 18.998 -4.267 -1.139 1.00 0.00 C ATOM 106 O HIS A 7 18.150 -4.829 -0.458 1.00 0.00 O ATOM 107 CB HIS A 7 18.686 -4.603 -3.644 1.00 0.00 C ATOM 108 CG HIS A 7 19.955 -5.433 -3.772 1.00 0.00 C ATOM 109 ND1 HIS A 7 20.058 -6.738 -3.331 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.153 -5.141 -4.332 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.276 -7.184 -3.629 1.00 0.00 C ATOM 112 NE2 HIS A 7 21.987 -6.252 -4.241 1.00 0.00 N ATOM 0 H HIS A 7 19.958 -2.401 -3.596 1.00 0.00 H new ATOM 0 HA HIS A 7 17.595 -3.221 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.843 -5.287 -3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.544 -4.056 -4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.420 -4.195 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.636 -8.176 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 7 22.947 -6.331 -4.577 1.00 0.00 H new ATOM 120 N GLU A 8 20.265 -4.160 -0.761 1.00 0.00 N ATOM 121 CA GLU A 8 20.760 -4.781 0.462 1.00 0.00 C ATOM 122 C GLU A 8 20.320 -3.993 1.700 1.00 0.00 C ATOM 123 O GLU A 8 20.462 -4.460 2.838 1.00 0.00 O ATOM 124 CB GLU A 8 22.285 -4.881 0.433 1.00 0.00 C ATOM 125 CG GLU A 8 22.829 -5.630 -0.765 1.00 0.00 C ATOM 126 CD GLU A 8 24.324 -5.801 -0.721 1.00 0.00 C ATOM 127 OE1 GLU A 8 25.060 -4.832 -0.983 1.00 0.00 O ATOM 128 OE2 GLU A 8 24.796 -6.917 -0.438 1.00 0.00 O ATOM 0 H GLU A 8 20.972 -3.646 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 8 20.335 -5.783 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.705 -3.875 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.624 -5.376 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.358 -6.611 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.556 -5.096 -1.675 1.00 0.00 H new ATOM 135 N HIS A 9 19.780 -2.815 1.475 1.00 0.00 N ATOM 136 CA HIS A 9 19.355 -1.931 2.546 1.00 0.00 C ATOM 137 C HIS A 9 17.834 -1.889 2.656 1.00 0.00 C ATOM 138 O HIS A 9 17.272 -1.032 3.345 1.00 0.00 O ATOM 139 CB HIS A 9 19.914 -0.511 2.338 1.00 0.00 C ATOM 140 CG HIS A 9 21.408 -0.398 2.493 1.00 0.00 C ATOM 141 ND1 HIS A 9 22.025 0.112 3.615 1.00 0.00 N ATOM 142 CD2 HIS A 9 22.409 -0.726 1.633 1.00 0.00 C ATOM 143 CE1 HIS A 9 23.344 0.085 3.411 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.635 -0.420 2.220 1.00 0.00 N ATOM 0 H HIS A 9 19.621 -2.439 0.540 1.00 0.00 H new ATOM 0 HA HIS A 9 19.753 -2.328 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.638 -0.168 1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.436 0.162 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 9 22.275 -1.155 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.079 0.430 4.124 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.562 -0.556 1.818 1.00 0.00 H new ATOM 152 N VAL A 10 17.171 -2.794 1.981 1.00 0.00 N ATOM 153 CA VAL A 10 15.734 -2.893 2.049 1.00 0.00 C ATOM 154 C VAL A 10 15.335 -4.320 2.371 1.00 0.00 C ATOM 155 O VAL A 10 15.559 -5.243 1.596 1.00 0.00 O ATOM 156 CB VAL A 10 15.022 -2.328 0.774 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.509 -2.940 -0.514 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.505 -2.387 0.886 1.00 0.00 C ATOM 0 H VAL A 10 17.611 -3.482 1.370 1.00 0.00 H new ATOM 0 HA VAL A 10 15.386 -2.254 2.860 1.00 0.00 H new ATOM 0 HB VAL A 10 15.307 -1.277 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.970 -2.499 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.576 -2.748 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.334 -4.016 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.057 -1.984 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.190 -3.422 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.180 -1.797 1.743 1.00 0.00 H new ATOM 168 N THR A 11 14.795 -4.485 3.545 1.00 0.00 N ATOM 169 CA THR A 11 14.443 -5.768 4.060 1.00 0.00 C ATOM 170 C THR A 11 13.178 -6.305 3.378 1.00 0.00 C ATOM 171 O THR A 11 12.294 -5.520 2.993 1.00 0.00 O ATOM 172 CB THR A 11 14.139 -5.621 5.548 1.00 0.00 C ATOM 173 OG1 THR A 11 15.075 -4.703 6.140 1.00 0.00 O ATOM 174 CG2 THR A 11 14.241 -6.968 6.230 1.00 0.00 C ATOM 0 H THR A 11 14.585 -3.714 4.179 1.00 0.00 H new ATOM 0 HA THR A 11 15.270 -6.455 3.879 1.00 0.00 H new ATOM 0 HB THR A 11 13.127 -5.237 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.879 -4.607 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.023 -6.856 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.524 -7.657 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.249 -7.363 6.107 1.00 0.00 H new ATOM 182 N GLN A 12 13.077 -7.634 3.272 1.00 0.00 N ATOM 183 CA GLN A 12 11.897 -8.292 2.737 1.00 0.00 C ATOM 184 C GLN A 12 10.703 -7.916 3.581 1.00 0.00 C ATOM 185 O GLN A 12 9.651 -7.602 3.076 1.00 0.00 O ATOM 186 CB GLN A 12 12.083 -9.836 2.695 1.00 0.00 C ATOM 187 CG GLN A 12 10.893 -10.606 2.082 1.00 0.00 C ATOM 188 CD GLN A 12 9.901 -11.246 3.086 1.00 0.00 C ATOM 189 OE1 GLN A 12 9.264 -12.234 2.770 1.00 0.00 O ATOM 190 NE2 GLN A 12 9.789 -10.732 4.291 1.00 0.00 N ATOM 0 H GLN A 12 13.815 -8.277 3.557 1.00 0.00 H new ATOM 0 HA GLN A 12 11.737 -7.961 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.982 -10.066 2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.250 -10.197 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.337 -9.923 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.289 -11.394 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.328 -9.904 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.163 -11.161 4.972 1.00 0.00 H new ATOM 199 N ASP A 13 10.910 -7.903 4.879 1.00 0.00 N ATOM 200 CA ASP A 13 9.860 -7.569 5.842 1.00 0.00 C ATOM 201 C ASP A 13 9.412 -6.133 5.693 1.00 0.00 C ATOM 202 O ASP A 13 8.259 -5.826 5.900 1.00 0.00 O ATOM 203 CB ASP A 13 10.326 -7.816 7.281 1.00 0.00 C ATOM 204 CG ASP A 13 10.673 -9.253 7.537 1.00 0.00 C ATOM 205 OD1 ASP A 13 11.827 -9.636 7.294 1.00 0.00 O ATOM 206 OD2 ASP A 13 9.792 -10.031 7.956 1.00 0.00 O ATOM 0 H ASP A 13 11.809 -8.123 5.307 1.00 0.00 H new ATOM 0 HA ASP A 13 9.014 -8.223 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.196 -7.193 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.541 -7.507 7.971 1.00 0.00 H new ATOM 211 N LEU A 14 10.318 -5.271 5.248 1.00 0.00 N ATOM 212 CA LEU A 14 10.013 -3.854 5.119 1.00 0.00 C ATOM 213 C LEU A 14 9.128 -3.695 3.916 1.00 0.00 C ATOM 214 O LEU A 14 8.031 -3.170 3.997 1.00 0.00 O ATOM 215 CB LEU A 14 11.342 -3.038 4.977 1.00 0.00 C ATOM 216 CG LEU A 14 11.288 -1.479 4.850 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.808 -1.022 3.486 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.421 -0.871 5.925 1.00 0.00 C ATOM 0 H LEU A 14 11.266 -5.528 4.972 1.00 0.00 H new ATOM 0 HA LEU A 14 9.498 -3.473 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.961 -3.272 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.864 -3.418 4.099 1.00 0.00 H new ATOM 0 HG LEU A 14 12.313 -1.130 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.790 0.067 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.484 -1.397 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.804 -1.407 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.404 0.213 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.407 -1.261 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.825 -1.125 6.905 1.00 0.00 H new ATOM 230 N ARG A 15 9.587 -4.236 2.826 1.00 0.00 N ATOM 231 CA ARG A 15 8.884 -4.144 1.584 1.00 0.00 C ATOM 232 C ARG A 15 7.561 -4.884 1.608 1.00 0.00 C ATOM 233 O ARG A 15 6.559 -4.361 1.159 1.00 0.00 O ATOM 234 CB ARG A 15 9.759 -4.587 0.441 1.00 0.00 C ATOM 235 CG ARG A 15 10.353 -5.950 0.555 1.00 0.00 C ATOM 236 CD ARG A 15 11.389 -6.140 -0.497 1.00 0.00 C ATOM 237 NE ARG A 15 10.841 -5.820 -1.844 1.00 0.00 N ATOM 238 CZ ARG A 15 11.238 -6.314 -3.018 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.128 -7.308 -3.081 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.682 -5.837 -4.129 1.00 0.00 N ATOM 0 H ARG A 15 10.463 -4.755 2.775 1.00 0.00 H new ATOM 0 HA ARG A 15 8.636 -3.094 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.171 -4.545 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.571 -3.868 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.796 -6.082 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.574 -6.706 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.247 -5.502 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.746 -7.170 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 15 10.075 -5.147 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.515 -7.701 -2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.421 -7.674 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.969 -5.110 -4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.969 -6.199 -5.039 1.00 0.00 H new ATOM 254 N SER A 16 7.545 -6.072 2.188 1.00 0.00 N ATOM 255 CA SER A 16 6.335 -6.851 2.262 1.00 0.00 C ATOM 256 C SER A 16 5.354 -6.186 3.229 1.00 0.00 C ATOM 257 O SER A 16 4.149 -6.346 3.098 1.00 0.00 O ATOM 258 CB SER A 16 6.648 -8.300 2.661 1.00 0.00 C ATOM 259 OG SER A 16 5.500 -9.150 2.591 1.00 0.00 O ATOM 0 H SER A 16 8.361 -6.513 2.613 1.00 0.00 H new ATOM 0 HA SER A 16 5.865 -6.888 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.427 -8.693 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.046 -8.316 3.676 1.00 0.00 H new ATOM 0 HG SER A 16 5.751 -10.061 2.852 1.00 0.00 H new ATOM 265 N HIS A 17 5.878 -5.418 4.184 1.00 0.00 N ATOM 266 CA HIS A 17 5.036 -4.663 5.081 1.00 0.00 C ATOM 267 C HIS A 17 4.304 -3.579 4.303 1.00 0.00 C ATOM 268 O HIS A 17 3.102 -3.348 4.493 1.00 0.00 O ATOM 269 CB HIS A 17 5.853 -4.005 6.180 1.00 0.00 C ATOM 270 CG HIS A 17 4.989 -3.391 7.195 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.352 -4.114 8.137 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.585 -2.117 7.348 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.589 -3.307 8.828 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.689 -2.066 8.387 1.00 0.00 N ATOM 0 H HIS A 17 6.879 -5.309 4.348 1.00 0.00 H new ATOM 0 HA HIS A 17 4.326 -5.354 5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.498 -4.747 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.504 -3.246 5.747 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.448 -5.118 8.286 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.911 -1.276 6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.960 -3.615 9.650 1.00 0.00 H new ATOM 282 N LEU A 18 5.046 -2.902 3.465 1.00 0.00 N ATOM 283 CA LEU A 18 4.510 -1.867 2.609 1.00 0.00 C ATOM 284 C LEU A 18 3.482 -2.487 1.647 1.00 0.00 C ATOM 285 O LEU A 18 2.439 -1.899 1.382 1.00 0.00 O ATOM 286 CB LEU A 18 5.666 -1.122 1.878 1.00 0.00 C ATOM 287 CG LEU A 18 6.438 0.002 2.675 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.710 -0.362 4.126 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.766 0.267 2.018 1.00 0.00 C ATOM 0 H LEU A 18 6.049 -3.053 3.354 1.00 0.00 H new ATOM 0 HA LEU A 18 3.988 -1.115 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.395 -1.867 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.255 -0.670 0.975 1.00 0.00 H new ATOM 0 HG LEU A 18 5.790 0.879 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.243 0.455 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.765 -0.536 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.317 -1.266 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.297 1.043 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.360 -0.647 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.605 0.597 0.992 1.00 0.00 H new ATOM 301 N VAL A 19 3.768 -3.713 1.196 1.00 0.00 N ATOM 302 CA VAL A 19 2.835 -4.515 0.380 1.00 0.00 C ATOM 303 C VAL A 19 1.539 -4.775 1.178 1.00 0.00 C ATOM 304 O VAL A 19 0.434 -4.573 0.673 1.00 0.00 O ATOM 305 CB VAL A 19 3.467 -5.897 -0.019 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.500 -6.758 -0.767 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.687 -5.718 -0.866 1.00 0.00 C ATOM 0 H VAL A 19 4.654 -4.183 1.384 1.00 0.00 H new ATOM 0 HA VAL A 19 2.618 -3.953 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 19 3.736 -6.385 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.978 -7.704 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.626 -6.950 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.190 -6.249 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.098 -6.694 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.421 -5.184 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.432 -5.145 -0.314 1.00 0.00 H new ATOM 317 N HIS A 20 1.702 -5.220 2.420 1.00 0.00 N ATOM 318 CA HIS A 20 0.588 -5.465 3.340 1.00 0.00 C ATOM 319 C HIS A 20 -0.279 -4.210 3.490 1.00 0.00 C ATOM 320 O HIS A 20 -1.507 -4.275 3.458 1.00 0.00 O ATOM 321 CB HIS A 20 1.131 -5.918 4.712 1.00 0.00 C ATOM 322 CG HIS A 20 0.098 -5.984 5.797 1.00 0.00 C ATOM 323 ND1 HIS A 20 -0.024 -5.032 6.784 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.875 -6.890 6.029 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.039 -5.367 7.563 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.600 -6.496 7.156 1.00 0.00 N ATOM 0 H HIS A 20 2.617 -5.423 2.823 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.037 -6.258 2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.587 -6.902 4.601 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.921 -5.233 5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.062 -7.775 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.367 -4.795 8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.395 -6.977 7.577 1.00 0.00 H new ATOM 334 N LYS A 21 0.366 -3.085 3.660 1.00 0.00 N ATOM 335 CA LYS A 21 -0.334 -1.838 3.767 1.00 0.00 C ATOM 336 C LYS A 21 -1.031 -1.464 2.463 1.00 0.00 C ATOM 337 O LYS A 21 -2.147 -0.953 2.494 1.00 0.00 O ATOM 338 CB LYS A 21 0.567 -0.737 4.327 1.00 0.00 C ATOM 339 CG LYS A 21 0.606 -0.730 5.856 1.00 0.00 C ATOM 340 CD LYS A 21 1.725 0.110 6.413 1.00 0.00 C ATOM 341 CE LYS A 21 1.482 0.474 7.890 1.00 0.00 C ATOM 342 NZ LYS A 21 1.245 -0.699 8.767 1.00 0.00 N ATOM 0 H LYS A 21 1.381 -3.010 3.727 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.136 -1.962 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.578 -0.869 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.215 0.231 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.345 -0.357 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.714 -1.753 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.667 -0.431 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.823 1.022 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.344 1.027 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.623 1.142 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.225 -0.391 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.334 -1.138 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.010 -1.392 8.635 1.00 0.00 H new ATOM 356 N LEU A 22 -0.388 -1.747 1.322 1.00 0.00 N ATOM 357 CA LEU A 22 -1.010 -1.542 0.000 1.00 0.00 C ATOM 358 C LEU A 22 -2.302 -2.348 -0.093 1.00 0.00 C ATOM 359 O LEU A 22 -3.318 -1.852 -0.576 1.00 0.00 O ATOM 360 CB LEU A 22 -0.048 -1.937 -1.134 1.00 0.00 C ATOM 361 CG LEU A 22 1.156 -1.020 -1.371 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.117 -1.651 -2.360 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.688 0.295 -1.928 1.00 0.00 C ATOM 0 H LEU A 22 0.561 -2.118 1.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.239 -0.482 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.325 -2.940 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.620 -1.993 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 22 1.664 -0.867 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.966 -0.986 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.470 -2.604 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.606 -1.817 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.547 0.945 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.170 0.127 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.007 0.768 -1.220 1.00 0.00 H new ATOM 375 N VAL A 23 -2.236 -3.580 0.389 1.00 0.00 N ATOM 376 CA VAL A 23 -3.387 -4.464 0.525 1.00 0.00 C ATOM 377 C VAL A 23 -4.492 -3.800 1.333 1.00 0.00 C ATOM 378 O VAL A 23 -5.623 -3.763 0.909 1.00 0.00 O ATOM 379 CB VAL A 23 -2.990 -5.801 1.219 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.220 -6.533 1.750 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.262 -6.695 0.239 1.00 0.00 C ATOM 0 H VAL A 23 -1.363 -4.003 0.704 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.749 -4.674 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.337 -5.562 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.912 -7.462 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.733 -5.903 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.895 -6.757 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.988 -7.628 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.912 -6.910 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.361 -6.192 -0.113 1.00 0.00 H new ATOM 391 N GLN A 24 -4.157 -3.257 2.474 1.00 0.00 N ATOM 392 CA GLN A 24 -5.177 -2.671 3.314 1.00 0.00 C ATOM 393 C GLN A 24 -5.697 -1.333 2.783 1.00 0.00 C ATOM 394 O GLN A 24 -6.729 -0.846 3.223 1.00 0.00 O ATOM 395 CB GLN A 24 -4.756 -2.590 4.770 1.00 0.00 C ATOM 396 CG GLN A 24 -4.460 -3.945 5.400 1.00 0.00 C ATOM 397 CD GLN A 24 -4.543 -3.912 6.910 1.00 0.00 C ATOM 398 OE1 GLN A 24 -4.297 -2.888 7.541 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.874 -5.027 7.505 1.00 0.00 N ATOM 0 H GLN A 24 -3.207 -3.206 2.841 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.023 -3.357 3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.869 -1.962 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.545 -2.099 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.165 -4.682 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.464 -4.271 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.072 -5.861 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.934 -5.064 8.523 1.00 0.00 H new ATOM 408 N ALA A 25 -4.972 -0.730 1.863 1.00 0.00 N ATOM 409 CA ALA A 25 -5.461 0.455 1.206 1.00 0.00 C ATOM 410 C ALA A 25 -6.418 0.087 0.097 1.00 0.00 C ATOM 411 O ALA A 25 -7.466 0.675 -0.026 1.00 0.00 O ATOM 412 CB ALA A 25 -4.334 1.237 0.640 1.00 0.00 C ATOM 0 H ALA A 25 -4.050 -1.041 1.558 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.983 1.061 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.721 2.129 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.656 1.531 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.796 0.627 -0.085 1.00 0.00 H new ATOM 418 N ILE A 26 -6.038 -0.900 -0.710 1.00 0.00 N ATOM 419 CA ILE A 26 -6.876 -1.339 -1.832 1.00 0.00 C ATOM 420 C ILE A 26 -8.114 -2.063 -1.304 1.00 0.00 C ATOM 421 O ILE A 26 -9.202 -2.040 -1.899 1.00 0.00 O ATOM 422 CB ILE A 26 -6.098 -2.300 -2.815 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.992 -2.687 -3.970 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.607 -3.560 -2.128 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.428 -3.759 -4.858 1.00 0.00 C ATOM 0 H ILE A 26 -5.161 -1.411 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.165 -0.447 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.226 -1.751 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.950 -3.026 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.191 -1.801 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.079 -4.185 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.931 -3.292 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.458 -4.110 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.134 -3.975 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.485 -3.418 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.255 -4.662 -4.273 1.00 0.00 H new ATOM 437 N PHE A 27 -7.929 -2.680 -0.193 1.00 0.00 N ATOM 438 CA PHE A 27 -8.911 -3.455 0.433 1.00 0.00 C ATOM 439 C PHE A 27 -8.913 -3.102 1.905 1.00 0.00 C ATOM 440 O PHE A 27 -8.166 -3.703 2.683 1.00 0.00 O ATOM 441 CB PHE A 27 -8.541 -4.926 0.233 1.00 0.00 C ATOM 442 CG PHE A 27 -9.469 -5.964 0.800 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.611 -6.336 0.125 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.174 -6.580 2.000 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.454 -7.297 0.636 1.00 0.00 C ATOM 446 CE2 PHE A 27 -10.010 -7.541 2.519 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.155 -7.900 1.834 1.00 0.00 C ATOM 0 H PHE A 27 -7.047 -2.650 0.318 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.902 -3.272 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.451 -5.106 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.554 -5.086 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -10.848 -5.867 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.278 -6.305 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.347 -7.576 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.772 -8.014 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.814 -8.653 2.240 1.00 0.00 H new ATOM 457 N PRO A 28 -9.612 -2.017 2.291 1.00 0.00 N ATOM 458 CA PRO A 28 -9.851 -1.701 3.693 1.00 0.00 C ATOM 459 C PRO A 28 -10.547 -2.893 4.340 1.00 0.00 C ATOM 460 O PRO A 28 -11.773 -3.051 4.251 1.00 0.00 O ATOM 461 CB PRO A 28 -10.795 -0.485 3.626 1.00 0.00 C ATOM 462 CG PRO A 28 -11.306 -0.517 2.223 1.00 0.00 C ATOM 463 CD PRO A 28 -10.161 -0.975 1.416 1.00 0.00 C ATOM 0 HA PRO A 28 -8.951 -1.492 4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.606 -0.566 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.268 0.445 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.154 -1.195 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.647 0.468 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.468 -1.368 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.445 -0.176 1.223 1.00 0.00 H new ATOM 471 N THR A 29 -9.759 -3.747 4.930 1.00 0.00 N ATOM 472 CA THR A 29 -10.226 -5.005 5.375 1.00 0.00 C ATOM 473 C THR A 29 -11.288 -4.891 6.477 1.00 0.00 C ATOM 474 O THR A 29 -11.120 -4.161 7.475 1.00 0.00 O ATOM 475 CB THR A 29 -9.062 -5.966 5.756 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.566 -7.279 5.958 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.321 -5.514 7.003 1.00 0.00 C ATOM 0 H THR A 29 -8.770 -3.577 5.111 1.00 0.00 H new ATOM 0 HA THR A 29 -10.733 -5.460 4.524 1.00 0.00 H new ATOM 0 HB THR A 29 -8.353 -5.955 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.643 -7.455 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.519 -6.218 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.898 -4.524 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.014 -5.475 7.844 1.00 0.00 H new ATOM 485 N PRO A 30 -12.436 -5.544 6.270 1.00 0.00 N ATOM 486 CA PRO A 30 -13.524 -5.547 7.233 1.00 0.00 C ATOM 487 C PRO A 30 -13.188 -6.411 8.447 1.00 0.00 C ATOM 488 O PRO A 30 -13.684 -6.176 9.545 1.00 0.00 O ATOM 489 CB PRO A 30 -14.696 -6.154 6.442 1.00 0.00 C ATOM 490 CG PRO A 30 -14.043 -7.028 5.426 1.00 0.00 C ATOM 491 CD PRO A 30 -12.774 -6.325 5.046 1.00 0.00 C ATOM 0 HA PRO A 30 -13.739 -4.554 7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.360 -6.726 7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.301 -5.379 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.836 -8.017 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.688 -7.170 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.985 -7.031 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.916 -5.677 4.181 1.00 0.00 H new ATOM 499 N ASP A 31 -12.330 -7.389 8.248 1.00 0.00 N ATOM 500 CA ASP A 31 -11.960 -8.323 9.298 1.00 0.00 C ATOM 501 C ASP A 31 -10.578 -8.841 8.994 1.00 0.00 C ATOM 502 O ASP A 31 -10.254 -9.022 7.835 1.00 0.00 O ATOM 503 CB ASP A 31 -12.912 -9.509 9.279 1.00 0.00 C ATOM 504 CG ASP A 31 -12.753 -10.416 10.473 1.00 0.00 C ATOM 505 OD1 ASP A 31 -11.892 -11.317 10.442 1.00 0.00 O ATOM 506 OD2 ASP A 31 -13.497 -10.248 11.467 1.00 0.00 O ATOM 0 H ASP A 31 -11.868 -7.562 7.355 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.998 -7.826 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.938 -9.143 9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.747 -10.085 8.368 1.00 0.00 H new ATOM 511 N PRO A 32 -9.730 -9.053 9.989 1.00 0.00 N ATOM 512 CA PRO A 32 -8.398 -9.624 9.781 1.00 0.00 C ATOM 513 C PRO A 32 -8.387 -10.974 9.012 1.00 0.00 C ATOM 514 O PRO A 32 -7.408 -11.303 8.351 1.00 0.00 O ATOM 515 CB PRO A 32 -7.841 -9.811 11.187 1.00 0.00 C ATOM 516 CG PRO A 32 -8.982 -9.573 12.122 1.00 0.00 C ATOM 517 CD PRO A 32 -9.946 -8.692 11.401 1.00 0.00 C ATOM 0 HA PRO A 32 -7.805 -8.960 9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.436 -10.815 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.027 -9.112 11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.454 -10.514 12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.637 -9.100 13.042 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.974 -8.878 11.713 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.743 -7.637 11.584 1.00 0.00 H new ATOM 525 N ALA A 33 -9.475 -11.733 9.056 1.00 0.00 N ATOM 526 CA ALA A 33 -9.508 -13.007 8.339 1.00 0.00 C ATOM 527 C ALA A 33 -9.757 -12.811 6.843 1.00 0.00 C ATOM 528 O ALA A 33 -9.580 -13.732 6.042 1.00 0.00 O ATOM 529 CB ALA A 33 -10.515 -13.961 8.941 1.00 0.00 C ATOM 0 H ALA A 33 -10.327 -11.500 9.566 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.522 -13.458 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.510 -14.896 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.253 -14.159 9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.509 -13.516 8.896 1.00 0.00 H new ATOM 535 N ALA A 34 -10.119 -11.603 6.454 1.00 0.00 N ATOM 536 CA ALA A 34 -10.326 -11.285 5.049 1.00 0.00 C ATOM 537 C ALA A 34 -8.980 -11.158 4.341 1.00 0.00 C ATOM 538 O ALA A 34 -8.897 -11.132 3.106 1.00 0.00 O ATOM 539 CB ALA A 34 -11.114 -9.999 4.918 1.00 0.00 C ATOM 0 H ALA A 34 -10.277 -10.822 7.091 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.893 -12.090 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.264 -9.770 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.082 -10.114 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.564 -9.186 5.392 1.00 0.00 H new ATOM 545 N LEU A 35 -7.929 -11.136 5.146 1.00 0.00 N ATOM 546 CA LEU A 35 -6.566 -10.981 4.688 1.00 0.00 C ATOM 547 C LEU A 35 -5.949 -12.329 4.337 1.00 0.00 C ATOM 548 O LEU A 35 -4.798 -12.401 3.968 1.00 0.00 O ATOM 549 CB LEU A 35 -5.748 -10.348 5.798 1.00 0.00 C ATOM 550 CG LEU A 35 -6.272 -9.020 6.335 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.585 -8.663 7.632 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.069 -7.925 5.318 1.00 0.00 C ATOM 0 H LEU A 35 -8.007 -11.228 6.159 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.568 -10.354 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.686 -11.054 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.732 -10.195 5.433 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.340 -9.125 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.972 -7.713 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.775 -9.442 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.512 -8.577 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.448 -6.984 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.006 -7.824 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.606 -8.174 4.403 1.00 0.00 H new ATOM 564 N LYS A 36 -6.706 -13.393 4.484 1.00 0.00 N ATOM 565 CA LYS A 36 -6.204 -14.728 4.175 1.00 0.00 C ATOM 566 C LYS A 36 -7.213 -15.501 3.325 1.00 0.00 C ATOM 567 O LYS A 36 -7.349 -16.721 3.422 1.00 0.00 O ATOM 568 CB LYS A 36 -5.833 -15.475 5.467 1.00 0.00 C ATOM 569 CG LYS A 36 -6.933 -15.550 6.502 1.00 0.00 C ATOM 570 CD LYS A 36 -6.530 -16.343 7.761 1.00 0.00 C ATOM 571 CE LYS A 36 -5.532 -15.612 8.697 1.00 0.00 C ATOM 572 NZ LYS A 36 -4.173 -15.402 8.130 1.00 0.00 N ATOM 0 H LYS A 36 -7.671 -13.368 4.814 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.293 -14.637 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.529 -16.489 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.967 -14.988 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.218 -14.539 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.813 -16.013 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.430 -16.581 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.089 -17.290 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.952 -14.642 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.439 -16.183 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.462 -15.516 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.999 -16.100 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.107 -14.443 7.734 1.00 0.00 H new ATOM 586 N ASP A 37 -7.891 -14.775 2.481 1.00 0.00 N ATOM 587 CA ASP A 37 -8.889 -15.335 1.560 1.00 0.00 C ATOM 588 C ASP A 37 -8.208 -15.595 0.202 1.00 0.00 C ATOM 589 O ASP A 37 -7.036 -15.268 0.034 1.00 0.00 O ATOM 590 CB ASP A 37 -9.995 -14.298 1.385 1.00 0.00 C ATOM 591 CG ASP A 37 -11.174 -14.766 0.596 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.067 -15.418 1.157 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.212 -14.495 -0.597 1.00 0.00 O ATOM 0 H ASP A 37 -7.778 -13.765 2.398 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.303 -16.267 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.337 -13.983 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.575 -13.418 0.897 1.00 0.00 H new ATOM 598 N ARG A 38 -8.920 -16.155 -0.764 1.00 0.00 N ATOM 599 CA ARG A 38 -8.360 -16.369 -2.094 1.00 0.00 C ATOM 600 C ARG A 38 -8.201 -15.030 -2.809 1.00 0.00 C ATOM 601 O ARG A 38 -7.335 -14.865 -3.679 1.00 0.00 O ATOM 602 CB ARG A 38 -9.204 -17.352 -2.926 1.00 0.00 C ATOM 603 CG ARG A 38 -10.411 -16.792 -3.714 1.00 0.00 C ATOM 604 CD ARG A 38 -11.539 -16.341 -2.820 1.00 0.00 C ATOM 605 NE ARG A 38 -12.708 -15.888 -3.579 1.00 0.00 N ATOM 606 CZ ARG A 38 -13.656 -15.055 -3.118 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.496 -14.410 -1.964 1.00 0.00 N ATOM 608 NH2 ARG A 38 -14.742 -14.848 -3.836 1.00 0.00 N ATOM 0 H ARG A 38 -9.884 -16.469 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.377 -16.827 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.540 -17.842 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.575 -18.125 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.081 -15.952 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.779 -17.558 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.830 -17.162 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.189 -15.531 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.810 -16.233 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.645 -14.545 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.224 -13.781 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.857 -15.319 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.467 -14.217 -3.494 1.00 0.00 H new ATOM 622 N ARG A 39 -9.025 -14.060 -2.405 1.00 0.00 N ATOM 623 CA ARG A 39 -8.942 -12.709 -2.922 1.00 0.00 C ATOM 624 C ARG A 39 -7.621 -12.071 -2.480 1.00 0.00 C ATOM 625 O ARG A 39 -7.081 -11.188 -3.150 1.00 0.00 O ATOM 626 CB ARG A 39 -10.156 -11.873 -2.460 1.00 0.00 C ATOM 627 CG ARG A 39 -10.015 -10.379 -2.727 1.00 0.00 C ATOM 628 CD ARG A 39 -11.243 -9.577 -2.335 1.00 0.00 C ATOM 629 NE ARG A 39 -12.347 -9.773 -3.269 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.018 -8.780 -3.871 1.00 0.00 C ATOM 631 NH1 ARG A 39 -12.792 -7.510 -3.551 1.00 0.00 N ATOM 632 NH2 ARG A 39 -13.935 -9.049 -4.769 1.00 0.00 N ATOM 0 H ARG A 39 -9.762 -14.197 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.964 -12.738 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.050 -12.239 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.306 -12.029 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.152 -10.000 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.813 -10.225 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.560 -9.867 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.986 -8.518 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.628 -10.731 -3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.100 -7.279 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.311 -6.766 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.141 -10.018 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.442 -8.290 -5.223 1.00 0.00 H new ATOM 646 N MET A 40 -7.082 -12.577 -1.381 1.00 0.00 N ATOM 647 CA MET A 40 -5.831 -12.094 -0.835 1.00 0.00 C ATOM 648 C MET A 40 -4.681 -12.258 -1.800 1.00 0.00 C ATOM 649 O MET A 40 -3.948 -11.310 -2.007 1.00 0.00 O ATOM 650 CB MET A 40 -5.538 -12.703 0.561 1.00 0.00 C ATOM 651 CG MET A 40 -4.071 -12.697 1.043 1.00 0.00 C ATOM 652 SD MET A 40 -3.228 -11.099 0.923 1.00 0.00 S ATOM 653 CE MET A 40 -4.435 -9.991 1.609 1.00 0.00 C ATOM 0 H MET A 40 -7.504 -13.335 -0.845 1.00 0.00 H new ATOM 0 HA MET A 40 -5.942 -11.020 -0.686 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.137 -12.165 1.296 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.888 -13.735 0.559 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.045 -13.027 2.082 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.511 -13.430 0.462 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.698 -9.236 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.327 -10.552 1.888 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.022 -9.505 2.493 1.00 0.00 H new ATOM 663 N GLU A 41 -4.568 -13.403 -2.471 1.00 0.00 N ATOM 664 CA GLU A 41 -3.418 -13.584 -3.361 1.00 0.00 C ATOM 665 C GLU A 41 -3.515 -12.628 -4.557 1.00 0.00 C ATOM 666 O GLU A 41 -2.515 -12.208 -5.109 1.00 0.00 O ATOM 667 CB GLU A 41 -3.235 -15.031 -3.818 1.00 0.00 C ATOM 668 CG GLU A 41 -4.215 -15.512 -4.850 1.00 0.00 C ATOM 669 CD GLU A 41 -3.988 -16.952 -5.186 1.00 0.00 C ATOM 670 OE1 GLU A 41 -3.103 -17.260 -6.019 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.683 -17.818 -4.620 1.00 0.00 O ATOM 0 H GLU A 41 -5.221 -14.185 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.526 -13.339 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.228 -15.142 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.304 -15.681 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.231 -15.379 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.123 -14.907 -5.752 1.00 0.00 H new ATOM 678 N ASN A 42 -4.736 -12.256 -4.888 1.00 0.00 N ATOM 679 CA ASN A 42 -5.022 -11.309 -5.951 1.00 0.00 C ATOM 680 C ASN A 42 -4.651 -9.886 -5.524 1.00 0.00 C ATOM 681 O ASN A 42 -4.010 -9.136 -6.265 1.00 0.00 O ATOM 682 CB ASN A 42 -6.511 -11.405 -6.325 1.00 0.00 C ATOM 683 CG ASN A 42 -6.994 -10.270 -7.202 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.872 -10.320 -8.427 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.598 -9.270 -6.587 1.00 0.00 N ATOM 0 H ASN A 42 -5.571 -12.608 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.420 -11.554 -6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.687 -12.350 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.105 -11.424 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.986 -8.498 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.676 -9.270 -5.570 1.00 0.00 H new ATOM 692 N LEU A 43 -5.029 -9.534 -4.314 1.00 0.00 N ATOM 693 CA LEU A 43 -4.754 -8.210 -3.771 1.00 0.00 C ATOM 694 C LEU A 43 -3.286 -8.044 -3.503 1.00 0.00 C ATOM 695 O LEU A 43 -2.705 -7.000 -3.796 1.00 0.00 O ATOM 696 CB LEU A 43 -5.529 -8.004 -2.493 1.00 0.00 C ATOM 697 CG LEU A 43 -7.033 -8.126 -2.614 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.660 -8.068 -1.246 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.598 -7.038 -3.518 1.00 0.00 C ATOM 0 H LEU A 43 -5.534 -10.150 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.064 -7.466 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.181 -8.729 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.293 -7.015 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.271 -9.087 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.743 -8.156 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.280 -8.888 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.412 -7.118 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.680 -7.149 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.359 -6.059 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.159 -7.127 -4.512 1.00 0.00 H new ATOM 711 N VAL A 44 -2.673 -9.085 -2.975 1.00 0.00 N ATOM 712 CA VAL A 44 -1.276 -9.038 -2.682 1.00 0.00 C ATOM 713 C VAL A 44 -0.495 -9.071 -3.997 1.00 0.00 C ATOM 714 O VAL A 44 0.567 -8.525 -4.084 1.00 0.00 O ATOM 715 CB VAL A 44 -0.822 -10.179 -1.707 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.642 -11.514 -2.406 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.417 -9.784 -0.924 1.00 0.00 C ATOM 0 H VAL A 44 -3.130 -9.967 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.064 -8.108 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.635 -10.315 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.327 -12.265 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.586 -11.819 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.117 -11.419 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.702 -10.599 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.234 -9.577 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.206 -8.892 -0.335 1.00 0.00 H new ATOM 727 N ALA A 45 -1.081 -9.694 -5.031 1.00 0.00 N ATOM 728 CA ALA A 45 -0.482 -9.714 -6.379 1.00 0.00 C ATOM 729 C ALA A 45 -0.359 -8.292 -6.902 1.00 0.00 C ATOM 730 O ALA A 45 0.695 -7.882 -7.410 1.00 0.00 O ATOM 731 CB ALA A 45 -1.314 -10.556 -7.346 1.00 0.00 C ATOM 0 H ALA A 45 -1.969 -10.191 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 45 0.507 -10.167 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.845 -10.550 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.373 -11.580 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.318 -10.139 -7.420 1.00 0.00 H new ATOM 737 N TYR A 46 -1.440 -7.548 -6.761 1.00 0.00 N ATOM 738 CA TYR A 46 -1.489 -6.129 -7.097 1.00 0.00 C ATOM 739 C TYR A 46 -0.497 -5.355 -6.254 1.00 0.00 C ATOM 740 O TYR A 46 0.231 -4.522 -6.760 1.00 0.00 O ATOM 741 CB TYR A 46 -2.927 -5.596 -6.862 1.00 0.00 C ATOM 742 CG TYR A 46 -3.062 -4.078 -6.660 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.947 -3.507 -5.380 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.315 -3.231 -7.713 1.00 0.00 C ATOM 745 CE1 TYR A 46 -3.080 -2.149 -5.182 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.454 -1.868 -7.511 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.339 -1.336 -6.252 1.00 0.00 C ATOM 748 OH TYR A 46 -3.492 0.025 -6.070 1.00 0.00 O ATOM 0 H TYR A 46 -2.323 -7.913 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.223 -5.997 -8.146 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.543 -5.885 -7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.339 -6.097 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.750 -4.147 -4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.407 -3.634 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.981 -1.731 -4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.654 -1.219 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.670 0.453 -6.934 1.00 0.00 H new ATOM 758 N ALA A 47 -0.479 -5.629 -4.980 1.00 0.00 N ATOM 759 CA ALA A 47 0.399 -4.931 -4.085 1.00 0.00 C ATOM 760 C ALA A 47 1.856 -5.183 -4.464 1.00 0.00 C ATOM 761 O ALA A 47 2.636 -4.263 -4.552 1.00 0.00 O ATOM 762 CB ALA A 47 0.105 -5.319 -2.661 1.00 0.00 C ATOM 0 H ALA A 47 -1.066 -6.335 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 47 0.225 -3.858 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.778 -4.783 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.927 -5.063 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.251 -6.392 -2.539 1.00 0.00 H new ATOM 768 N LYS A 48 2.172 -6.430 -4.761 1.00 0.00 N ATOM 769 CA LYS A 48 3.503 -6.844 -5.196 1.00 0.00 C ATOM 770 C LYS A 48 3.906 -6.195 -6.506 1.00 0.00 C ATOM 771 O LYS A 48 5.024 -5.711 -6.635 1.00 0.00 O ATOM 772 CB LYS A 48 3.546 -8.346 -5.369 1.00 0.00 C ATOM 773 CG LYS A 48 3.538 -9.133 -4.066 1.00 0.00 C ATOM 774 CD LYS A 48 3.403 -10.616 -4.334 1.00 0.00 C ATOM 775 CE LYS A 48 3.489 -11.445 -3.057 1.00 0.00 C ATOM 776 NZ LYS A 48 4.819 -11.355 -2.414 1.00 0.00 N ATOM 0 H LYS A 48 1.504 -7.199 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 48 4.203 -6.525 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.690 -8.654 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.442 -8.609 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.458 -8.941 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.714 -8.796 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.450 -10.809 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.187 -10.931 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.726 -11.107 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.270 -12.487 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.897 -12.082 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.560 -11.505 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.935 -10.414 -1.987 1.00 0.00 H new ATOM 790 N LYS A 49 2.996 -6.188 -7.477 1.00 0.00 N ATOM 791 CA LYS A 49 3.292 -5.630 -8.798 1.00 0.00 C ATOM 792 C LYS A 49 3.569 -4.117 -8.664 1.00 0.00 C ATOM 793 O LYS A 49 4.452 -3.558 -9.326 1.00 0.00 O ATOM 794 CB LYS A 49 2.114 -5.879 -9.790 1.00 0.00 C ATOM 795 CG LYS A 49 0.939 -5.004 -9.566 1.00 0.00 C ATOM 796 CD LYS A 49 -0.132 -5.162 -10.613 1.00 0.00 C ATOM 797 CE LYS A 49 -1.007 -3.914 -10.659 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.353 -2.778 -11.383 1.00 0.00 N ATOM 0 H LYS A 49 2.052 -6.560 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 49 4.175 -6.128 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.474 -5.732 -10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.799 -6.919 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.514 -5.222 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.267 -3.965 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.324 -5.332 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.743 -6.036 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.952 -4.155 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.244 -3.603 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.699 -1.876 -10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.678 -2.835 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.584 -2.833 -12.396 1.00 0.00 H new ATOM 812 N VAL A 50 2.818 -3.480 -7.774 1.00 0.00 N ATOM 813 CA VAL A 50 2.933 -2.075 -7.519 1.00 0.00 C ATOM 814 C VAL A 50 4.227 -1.793 -6.759 1.00 0.00 C ATOM 815 O VAL A 50 5.012 -0.944 -7.162 1.00 0.00 O ATOM 816 CB VAL A 50 1.663 -1.545 -6.758 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.846 -0.143 -6.227 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.459 -1.565 -7.690 1.00 0.00 C ATOM 0 H VAL A 50 2.107 -3.943 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 50 2.981 -1.535 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 50 1.505 -2.207 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.939 0.172 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.685 -0.124 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.047 0.536 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.419 -1.197 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.655 -0.927 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.277 -2.585 -8.028 1.00 0.00 H new ATOM 828 N GLU A 51 4.462 -2.573 -5.718 1.00 0.00 N ATOM 829 CA GLU A 51 5.647 -2.471 -4.873 1.00 0.00 C ATOM 830 C GLU A 51 6.903 -2.673 -5.715 1.00 0.00 C ATOM 831 O GLU A 51 7.837 -1.882 -5.638 1.00 0.00 O ATOM 832 CB GLU A 51 5.516 -3.505 -3.729 1.00 0.00 C ATOM 833 CG GLU A 51 6.576 -3.481 -2.631 1.00 0.00 C ATOM 834 CD GLU A 51 7.810 -4.344 -2.923 1.00 0.00 C ATOM 835 OE1 GLU A 51 7.676 -5.579 -2.983 1.00 0.00 O ATOM 836 OE2 GLU A 51 8.925 -3.817 -3.055 1.00 0.00 O ATOM 0 H GLU A 51 3.822 -3.312 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 51 5.731 -1.480 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.542 -3.365 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.515 -4.500 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.897 -2.451 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.124 -3.819 -1.699 1.00 0.00 H new ATOM 843 N GLY A 52 6.872 -3.687 -6.573 1.00 0.00 N ATOM 844 CA GLY A 52 7.977 -3.970 -7.467 1.00 0.00 C ATOM 845 C GLY A 52 8.238 -2.827 -8.422 1.00 0.00 C ATOM 846 O GLY A 52 9.390 -2.447 -8.646 1.00 0.00 O ATOM 0 H GLY A 52 6.084 -4.329 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.876 -4.167 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.762 -4.875 -8.035 1.00 0.00 H new ATOM 850 N ASP A 53 7.168 -2.255 -8.953 1.00 0.00 N ATOM 851 CA ASP A 53 7.261 -1.124 -9.874 1.00 0.00 C ATOM 852 C ASP A 53 7.992 0.050 -9.237 1.00 0.00 C ATOM 853 O ASP A 53 8.998 0.530 -9.772 1.00 0.00 O ATOM 854 CB ASP A 53 5.878 -0.699 -10.339 1.00 0.00 C ATOM 855 CG ASP A 53 5.910 0.470 -11.302 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.641 0.408 -12.330 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.220 1.485 -11.048 1.00 0.00 O ATOM 0 H ASP A 53 6.213 -2.557 -8.761 1.00 0.00 H new ATOM 0 HA ASP A 53 7.837 -1.447 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.387 -1.545 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.275 -0.431 -9.471 1.00 0.00 H new ATOM 862 N MET A 54 7.529 0.475 -8.083 1.00 0.00 N ATOM 863 CA MET A 54 8.178 1.581 -7.359 1.00 0.00 C ATOM 864 C MET A 54 9.556 1.225 -6.850 1.00 0.00 C ATOM 865 O MET A 54 10.430 2.085 -6.788 1.00 0.00 O ATOM 866 CB MET A 54 7.290 2.202 -6.271 1.00 0.00 C ATOM 867 CG MET A 54 6.447 1.241 -5.500 1.00 0.00 C ATOM 868 SD MET A 54 4.729 1.820 -5.395 1.00 0.00 S ATOM 869 CE MET A 54 4.343 2.135 -7.122 1.00 0.00 C ATOM 0 H MET A 54 6.711 0.084 -7.615 1.00 0.00 H new ATOM 0 HA MET A 54 8.322 2.364 -8.104 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.928 2.741 -5.571 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.636 2.938 -6.738 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.476 0.262 -5.978 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.855 1.118 -4.497 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.270 2.025 -7.281 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.646 3.149 -7.384 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.878 1.423 -7.750 1.00 0.00 H new ATOM 879 N TYR A 55 9.760 -0.039 -6.526 1.00 0.00 N ATOM 880 CA TYR A 55 11.062 -0.548 -6.111 1.00 0.00 C ATOM 881 C TYR A 55 12.080 -0.314 -7.221 1.00 0.00 C ATOM 882 O TYR A 55 13.136 0.249 -6.998 1.00 0.00 O ATOM 883 CB TYR A 55 10.944 -2.054 -5.776 1.00 0.00 C ATOM 884 CG TYR A 55 12.239 -2.767 -5.452 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.726 -2.833 -4.152 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.963 -3.397 -6.454 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.903 -3.506 -3.870 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.130 -4.060 -6.182 1.00 0.00 C ATOM 889 CZ TYR A 55 14.598 -4.117 -4.900 1.00 0.00 C ATOM 890 OH TYR A 55 15.764 -4.793 -4.646 1.00 0.00 O ATOM 0 H TYR A 55 9.026 -0.747 -6.542 1.00 0.00 H new ATOM 0 HA TYR A 55 11.399 -0.021 -5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.270 -2.165 -4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.477 -2.558 -6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.180 -2.354 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.598 -3.364 -7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.275 -3.554 -2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.680 -4.537 -6.980 1.00 0.00 H new ATOM 0 HH TYR A 55 16.118 -5.161 -5.483 1.00 0.00 H new ATOM 900 N GLU A 56 11.722 -0.701 -8.422 1.00 0.00 N ATOM 901 CA GLU A 56 12.613 -0.557 -9.559 1.00 0.00 C ATOM 902 C GLU A 56 12.647 0.892 -10.061 1.00 0.00 C ATOM 903 O GLU A 56 13.603 1.307 -10.705 1.00 0.00 O ATOM 904 CB GLU A 56 12.192 -1.505 -10.685 1.00 0.00 C ATOM 905 CG GLU A 56 12.157 -2.967 -10.270 1.00 0.00 C ATOM 906 CD GLU A 56 11.733 -3.883 -11.386 1.00 0.00 C ATOM 907 OE1 GLU A 56 10.530 -4.152 -11.535 1.00 0.00 O ATOM 908 OE2 GLU A 56 12.611 -4.374 -12.131 1.00 0.00 O ATOM 0 H GLU A 56 10.818 -1.120 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 56 13.620 -0.820 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.204 -1.214 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.881 -1.390 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.145 -3.264 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.472 -3.085 -9.430 1.00 0.00 H new ATOM 915 N SER A 57 11.624 1.655 -9.748 1.00 0.00 N ATOM 916 CA SER A 57 11.540 3.027 -10.203 1.00 0.00 C ATOM 917 C SER A 57 12.388 3.975 -9.312 1.00 0.00 C ATOM 918 O SER A 57 13.001 4.922 -9.809 1.00 0.00 O ATOM 919 CB SER A 57 10.066 3.473 -10.241 1.00 0.00 C ATOM 920 OG SER A 57 9.901 4.691 -10.937 1.00 0.00 O ATOM 0 H SER A 57 10.835 1.349 -9.178 1.00 0.00 H new ATOM 0 HA SER A 57 11.952 3.083 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.465 2.699 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.694 3.584 -9.222 1.00 0.00 H new ATOM 0 HG SER A 57 8.953 4.940 -10.941 1.00 0.00 H new ATOM 926 N ALA A 58 12.437 3.705 -8.019 1.00 0.00 N ATOM 927 CA ALA A 58 13.180 4.540 -7.089 1.00 0.00 C ATOM 928 C ALA A 58 14.644 4.169 -7.060 1.00 0.00 C ATOM 929 O ALA A 58 15.049 3.117 -7.576 1.00 0.00 O ATOM 930 CB ALA A 58 12.620 4.387 -5.719 1.00 0.00 C ATOM 0 H ALA A 58 11.968 2.909 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 58 13.088 5.573 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.180 5.014 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.573 4.690 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.697 3.345 -5.409 1.00 0.00 H new ATOM 936 N ASN A 59 15.438 5.013 -6.448 1.00 0.00 N ATOM 937 CA ASN A 59 16.870 4.791 -6.354 1.00 0.00 C ATOM 938 C ASN A 59 17.303 4.751 -4.916 1.00 0.00 C ATOM 939 O ASN A 59 18.487 4.842 -4.596 1.00 0.00 O ATOM 940 CB ASN A 59 17.624 5.853 -7.139 1.00 0.00 C ATOM 941 CG ASN A 59 17.346 5.765 -8.620 1.00 0.00 C ATOM 942 OD1 ASN A 59 17.159 4.670 -9.181 1.00 0.00 O ATOM 943 ND2 ASN A 59 17.262 6.888 -9.255 1.00 0.00 N ATOM 0 H ASN A 59 15.117 5.872 -6.001 1.00 0.00 H new ATOM 0 HA ASN A 59 17.107 3.823 -6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.342 6.841 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.694 5.742 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.036 6.896 -10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.422 7.766 -8.761 1.00 0.00 H new ATOM 950 N SER A 60 16.338 4.607 -4.049 1.00 0.00 N ATOM 951 CA SER A 60 16.546 4.389 -2.644 1.00 0.00 C ATOM 952 C SER A 60 15.304 3.698 -2.114 1.00 0.00 C ATOM 953 O SER A 60 14.213 3.917 -2.634 1.00 0.00 O ATOM 954 CB SER A 60 16.759 5.695 -1.879 1.00 0.00 C ATOM 955 OG SER A 60 17.842 6.457 -2.403 1.00 0.00 O ATOM 0 H SER A 60 15.353 4.639 -4.310 1.00 0.00 H new ATOM 0 HA SER A 60 17.445 3.788 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.846 6.290 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.949 5.472 -0.829 1.00 0.00 H new ATOM 0 HG SER A 60 18.288 5.947 -3.111 1.00 0.00 H new ATOM 961 N ARG A 61 15.458 2.871 -1.112 1.00 0.00 N ATOM 962 CA ARG A 61 14.315 2.152 -0.536 1.00 0.00 C ATOM 963 C ARG A 61 13.373 3.088 0.171 1.00 0.00 C ATOM 964 O ARG A 61 12.193 2.975 0.055 1.00 0.00 O ATOM 965 CB ARG A 61 14.721 0.983 0.386 1.00 0.00 C ATOM 966 CG ARG A 61 15.426 1.319 1.717 1.00 0.00 C ATOM 967 CD ARG A 61 16.696 2.068 1.476 1.00 0.00 C ATOM 968 NE ARG A 61 17.577 2.112 2.638 1.00 0.00 N ATOM 969 CZ ARG A 61 18.496 3.072 2.864 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.368 4.288 2.323 1.00 0.00 N ATOM 971 NH2 ARG A 61 19.461 2.855 3.732 1.00 0.00 N ATOM 0 H ARG A 61 16.354 2.669 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 61 13.793 1.707 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.821 0.414 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.377 0.323 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.762 1.914 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.640 0.399 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.228 1.606 0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.455 3.087 1.174 1.00 0.00 H new ATOM 0 HE ARG A 61 17.492 1.365 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.566 4.500 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.072 5.003 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.510 1.965 4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.160 3.577 3.908 1.00 0.00 H new ATOM 985 N ASP A 62 13.928 4.029 0.854 1.00 0.00 N ATOM 986 CA ASP A 62 13.192 5.039 1.560 1.00 0.00 C ATOM 987 C ASP A 62 12.489 5.941 0.547 1.00 0.00 C ATOM 988 O ASP A 62 11.392 6.373 0.779 1.00 0.00 O ATOM 989 CB ASP A 62 14.162 5.815 2.473 1.00 0.00 C ATOM 990 CG ASP A 62 15.447 6.244 1.770 1.00 0.00 C ATOM 991 OD1 ASP A 62 16.175 5.352 1.225 1.00 0.00 O ATOM 992 OD2 ASP A 62 15.777 7.438 1.786 1.00 0.00 O ATOM 0 H ASP A 62 14.939 4.126 0.944 1.00 0.00 H new ATOM 0 HA ASP A 62 12.423 4.599 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.656 6.700 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.417 5.193 3.331 1.00 0.00 H new ATOM 997 N GLU A 63 13.115 6.143 -0.618 1.00 0.00 N ATOM 998 CA GLU A 63 12.492 6.878 -1.724 1.00 0.00 C ATOM 999 C GLU A 63 11.304 6.110 -2.274 1.00 0.00 C ATOM 1000 O GLU A 63 10.211 6.668 -2.441 1.00 0.00 O ATOM 1001 CB GLU A 63 13.507 7.158 -2.833 1.00 0.00 C ATOM 1002 CG GLU A 63 12.894 7.647 -4.141 1.00 0.00 C ATOM 1003 CD GLU A 63 13.923 8.149 -5.084 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.817 7.381 -5.448 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.883 9.344 -5.451 1.00 0.00 O ATOM 0 H GLU A 63 14.056 5.806 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 63 12.137 7.833 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.218 7.904 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.073 6.247 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.340 6.833 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.177 8.441 -3.931 1.00 0.00 H new ATOM 1012 N TYR A 64 11.519 4.822 -2.524 1.00 0.00 N ATOM 1013 CA TYR A 64 10.491 3.949 -3.054 1.00 0.00 C ATOM 1014 C TYR A 64 9.345 3.859 -2.069 1.00 0.00 C ATOM 1015 O TYR A 64 8.188 3.947 -2.445 1.00 0.00 O ATOM 1016 CB TYR A 64 11.112 2.571 -3.443 1.00 0.00 C ATOM 1017 CG TYR A 64 10.575 1.338 -2.777 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.504 0.662 -3.313 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.159 0.836 -1.629 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.021 -0.470 -2.730 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.682 -0.302 -1.036 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.610 -0.949 -1.594 1.00 0.00 C ATOM 1023 OH TYR A 64 9.132 -2.075 -1.026 1.00 0.00 O ATOM 0 H TYR A 64 12.413 4.359 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 64 10.071 4.356 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 64 10.996 2.445 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.182 2.619 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.038 1.036 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.004 1.349 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.177 -0.986 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.145 -0.686 -0.139 1.00 0.00 H new ATOM 0 HH TYR A 64 9.278 -2.833 -1.629 1.00 0.00 H new ATOM 1033 N TYR A 65 9.709 3.764 -0.814 1.00 0.00 N ATOM 1034 CA TYR A 65 8.808 3.767 0.303 1.00 0.00 C ATOM 1035 C TYR A 65 7.991 5.049 0.301 1.00 0.00 C ATOM 1036 O TYR A 65 6.785 5.003 0.395 1.00 0.00 O ATOM 1037 CB TYR A 65 9.697 3.696 1.559 1.00 0.00 C ATOM 1038 CG TYR A 65 9.097 3.943 2.924 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.410 5.114 3.229 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.279 3.035 3.920 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.919 5.351 4.459 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.806 3.270 5.163 1.00 0.00 C ATOM 1043 CZ TYR A 65 8.117 4.427 5.434 1.00 0.00 C ATOM 1044 OH TYR A 65 7.657 4.674 6.689 1.00 0.00 O ATOM 0 H TYR A 65 10.686 3.679 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 65 8.108 2.933 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.151 2.705 1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.505 4.415 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.267 5.854 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.808 2.116 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.376 6.261 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.970 2.545 5.947 1.00 0.00 H new ATOM 0 HH TYR A 65 8.027 5.522 7.012 1.00 0.00 H new ATOM 1054 N HIS A 66 8.664 6.187 0.164 1.00 0.00 N ATOM 1055 CA HIS A 66 8.000 7.486 0.242 1.00 0.00 C ATOM 1056 C HIS A 66 7.016 7.684 -0.858 1.00 0.00 C ATOM 1057 O HIS A 66 5.870 8.036 -0.601 1.00 0.00 O ATOM 1058 CB HIS A 66 8.980 8.670 0.292 1.00 0.00 C ATOM 1059 CG HIS A 66 9.725 8.814 1.582 1.00 0.00 C ATOM 1060 ND1 HIS A 66 11.024 9.249 1.670 1.00 0.00 N ATOM 1061 CD2 HIS A 66 9.314 8.614 2.853 1.00 0.00 C ATOM 1062 CE1 HIS A 66 11.363 9.299 2.953 1.00 0.00 C ATOM 1063 NE2 HIS A 66 10.356 8.923 3.726 1.00 0.00 N ATOM 0 H HIS A 66 9.669 6.237 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 66 7.462 7.469 1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.701 8.561 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.426 9.590 0.104 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.333 8.269 3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 66 12.332 9.606 3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.345 8.871 4.745 1.00 0.00 H new ATOM 1071 N LEU A 67 7.430 7.421 -2.073 1.00 0.00 N ATOM 1072 CA LEU A 67 6.563 7.626 -3.200 1.00 0.00 C ATOM 1073 C LEU A 67 5.420 6.600 -3.201 1.00 0.00 C ATOM 1074 O LEU A 67 4.303 6.902 -3.639 1.00 0.00 O ATOM 1075 CB LEU A 67 7.370 7.695 -4.535 1.00 0.00 C ATOM 1076 CG LEU A 67 8.097 6.429 -5.018 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.152 5.491 -5.713 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.256 6.765 -5.935 1.00 0.00 C ATOM 0 H LEU A 67 8.358 7.066 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 67 6.084 8.601 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.683 8.004 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.113 8.486 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 67 8.494 5.934 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.695 4.606 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.361 5.195 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.713 5.990 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.745 5.845 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.885 7.302 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.972 7.390 -5.402 1.00 0.00 H new ATOM 1090 N LEU A 68 5.682 5.398 -2.667 1.00 0.00 N ATOM 1091 CA LEU A 68 4.640 4.404 -2.595 1.00 0.00 C ATOM 1092 C LEU A 68 3.672 4.784 -1.485 1.00 0.00 C ATOM 1093 O LEU A 68 2.465 4.608 -1.627 1.00 0.00 O ATOM 1094 CB LEU A 68 5.203 2.943 -2.459 1.00 0.00 C ATOM 1095 CG LEU A 68 5.522 2.326 -1.091 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.257 1.881 -0.372 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.422 1.139 -1.295 1.00 0.00 C ATOM 0 H LEU A 68 6.586 5.110 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 68 4.093 4.392 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.485 2.282 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.121 2.902 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 68 6.011 3.081 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.520 1.449 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.604 2.740 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.739 1.135 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.657 0.690 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.919 0.404 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.344 1.460 -1.780 1.00 0.00 H new ATOM 1109 N ALA A 69 4.214 5.356 -0.395 1.00 0.00 N ATOM 1110 CA ALA A 69 3.415 5.807 0.720 1.00 0.00 C ATOM 1111 C ALA A 69 2.504 6.948 0.272 1.00 0.00 C ATOM 1112 O ALA A 69 1.392 7.083 0.755 1.00 0.00 O ATOM 1113 CB ALA A 69 4.300 6.207 1.910 1.00 0.00 C ATOM 0 H ALA A 69 5.215 5.511 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 69 2.786 4.986 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.671 6.542 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.890 5.348 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.968 7.015 1.611 1.00 0.00 H new ATOM 1119 N GLU A 70 2.976 7.734 -0.682 1.00 0.00 N ATOM 1120 CA GLU A 70 2.187 8.801 -1.270 1.00 0.00 C ATOM 1121 C GLU A 70 1.080 8.238 -2.160 1.00 0.00 C ATOM 1122 O GLU A 70 -0.072 8.700 -2.101 1.00 0.00 O ATOM 1123 CB GLU A 70 3.071 9.749 -2.076 1.00 0.00 C ATOM 1124 CG GLU A 70 4.068 10.523 -1.237 1.00 0.00 C ATOM 1125 CD GLU A 70 3.411 11.519 -0.317 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.976 11.144 0.770 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.341 12.725 -0.671 1.00 0.00 O ATOM 0 H GLU A 70 3.916 7.649 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 70 1.727 9.359 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.612 9.174 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.436 10.455 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.658 9.823 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.761 11.046 -1.896 1.00 0.00 H new ATOM 1134 N LYS A 71 1.400 7.227 -2.975 1.00 0.00 N ATOM 1135 CA LYS A 71 0.387 6.672 -3.854 1.00 0.00 C ATOM 1136 C LYS A 71 -0.650 5.874 -3.071 1.00 0.00 C ATOM 1137 O LYS A 71 -1.826 5.910 -3.383 1.00 0.00 O ATOM 1138 CB LYS A 71 0.971 5.899 -5.090 1.00 0.00 C ATOM 1139 CG LYS A 71 1.622 4.517 -4.862 1.00 0.00 C ATOM 1140 CD LYS A 71 0.608 3.358 -4.710 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.367 3.222 -5.904 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.306 2.978 -7.214 1.00 0.00 N ATOM 0 H LYS A 71 2.321 6.794 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.135 7.520 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.163 5.769 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.716 6.542 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.286 4.298 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.242 4.563 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.155 2.423 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.032 3.509 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.058 2.403 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.964 4.131 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.071 3.747 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.336 2.944 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.020 2.073 -7.608 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.218 5.180 -2.036 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.153 4.441 -1.213 1.00 0.00 C ATOM 1158 C ILE A 72 -2.064 5.432 -0.462 1.00 0.00 C ATOM 1159 O ILE A 72 -3.260 5.236 -0.377 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.440 3.443 -0.233 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.442 2.612 0.507 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.425 4.136 0.760 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.837 1.747 1.585 1.00 0.00 C ATOM 0 H ILE A 72 0.758 5.113 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.765 3.819 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 72 0.189 2.808 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.185 3.270 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.969 1.975 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.893 3.399 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.197 4.701 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.181 4.816 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.624 1.175 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.115 1.063 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.335 2.378 2.319 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.469 6.523 0.003 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.160 7.616 0.685 1.00 0.00 C ATOM 1177 C TYR A 73 -3.298 8.169 -0.167 1.00 0.00 C ATOM 1178 O TYR A 73 -4.480 8.199 0.273 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.109 8.702 0.977 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.606 10.065 1.365 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.844 11.022 0.396 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.792 10.408 2.678 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.260 12.280 0.730 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.214 11.660 3.028 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.441 12.594 2.050 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.877 13.842 2.398 1.00 0.00 O ATOM 0 H TYR A 73 -0.465 6.679 -0.085 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.614 7.261 1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.465 8.339 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.485 8.812 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.698 10.771 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.602 9.677 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.444 13.017 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.368 11.912 4.067 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.954 13.901 3.373 1.00 0.00 H new ATOM 1196 N LYS A 74 -2.960 8.562 -1.394 1.00 0.00 N ATOM 1197 CA LYS A 74 -3.931 9.149 -2.289 1.00 0.00 C ATOM 1198 C LYS A 74 -5.000 8.140 -2.634 1.00 0.00 C ATOM 1199 O LYS A 74 -6.140 8.489 -2.731 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.275 9.729 -3.557 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.633 8.693 -4.456 1.00 0.00 C ATOM 1202 CD LYS A 74 -1.954 9.300 -5.681 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.849 10.280 -5.308 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.189 10.844 -6.499 1.00 0.00 N ATOM 0 H LYS A 74 -2.020 8.481 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.398 9.986 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.030 10.270 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.518 10.455 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.897 8.129 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.393 7.984 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.536 8.502 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.699 9.812 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.268 11.088 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.109 9.774 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.556 11.506 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.233 10.076 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.890 11.349 -7.078 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.611 6.872 -2.738 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.527 5.797 -3.051 1.00 0.00 C ATOM 1220 C ILE A 75 -6.560 5.624 -1.960 1.00 0.00 C ATOM 1221 O ILE A 75 -7.755 5.467 -2.247 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.746 4.460 -3.338 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.594 4.224 -4.843 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.352 3.235 -2.650 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -3.960 5.365 -5.602 1.00 0.00 C ATOM 0 H ILE A 75 -3.646 6.568 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.065 6.062 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.757 4.592 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.995 3.326 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.579 4.027 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.761 2.352 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.351 3.386 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.376 3.093 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.894 5.107 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.568 6.262 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.960 5.551 -5.211 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.111 5.735 -0.716 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.983 5.530 0.412 1.00 0.00 C ATOM 1239 C GLN A 76 -8.030 6.588 0.460 1.00 0.00 C ATOM 1240 O GLN A 76 -9.247 6.302 0.495 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.221 5.519 1.720 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.189 4.432 1.803 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.750 4.177 3.210 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.494 4.417 4.152 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.576 3.646 3.371 1.00 0.00 N ATOM 0 H GLN A 76 -5.148 5.966 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.451 4.554 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.732 6.484 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.927 5.402 2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.596 3.514 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.325 4.707 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.985 3.461 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.245 3.414 4.308 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.593 7.820 0.416 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.517 8.868 0.493 1.00 0.00 C ATOM 1256 C LYS A 77 -9.336 9.009 -0.778 1.00 0.00 C ATOM 1257 O LYS A 77 -10.478 9.424 -0.701 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.845 10.135 0.912 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.643 10.506 0.087 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.085 11.823 0.546 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.833 11.881 2.066 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.520 13.256 2.535 1.00 0.00 N ATOM 0 H LYS A 77 -6.615 8.097 0.328 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.242 8.624 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.569 10.949 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.540 10.042 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.881 9.731 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.920 10.567 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.149 12.016 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.776 12.619 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.713 11.512 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.008 11.216 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.609 13.298 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.548 13.504 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.184 13.930 2.103 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.765 8.603 -1.930 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.467 8.656 -3.212 1.00 0.00 C ATOM 1278 C GLU A 78 -10.687 7.777 -3.157 1.00 0.00 C ATOM 1279 O GLU A 78 -11.794 8.229 -3.433 1.00 0.00 O ATOM 1280 CB GLU A 78 -8.581 8.196 -4.388 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.204 8.492 -5.748 1.00 0.00 C ATOM 1282 CD GLU A 78 -8.391 7.999 -6.916 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -8.441 6.780 -7.239 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -7.730 8.825 -7.577 1.00 0.00 O ATOM 0 H GLU A 78 -7.816 8.235 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.743 9.697 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.612 8.691 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.399 7.125 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.193 8.037 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.344 9.569 -5.845 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.489 6.524 -2.750 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.577 5.579 -2.690 1.00 0.00 C ATOM 1293 C LEU A 79 -12.626 6.041 -1.702 1.00 0.00 C ATOM 1294 O LEU A 79 -13.807 5.969 -1.987 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.078 4.128 -2.420 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.353 3.825 -1.088 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.322 3.550 0.061 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.400 2.679 -1.258 1.00 0.00 C ATOM 0 H LEU A 79 -9.585 6.151 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.053 5.543 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.941 3.465 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.404 3.854 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.793 4.721 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.758 3.344 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.957 4.422 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.943 2.688 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.898 2.479 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.950 1.792 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.658 2.932 -2.015 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.175 6.577 -0.576 1.00 0.00 N ATOM 1311 CA GLU A 80 -13.026 7.073 0.450 1.00 0.00 C ATOM 1312 C GLU A 80 -13.878 8.255 -0.077 1.00 0.00 C ATOM 1313 O GLU A 80 -15.115 8.249 0.041 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.098 7.508 1.565 1.00 0.00 C ATOM 1315 CG GLU A 80 -12.682 7.596 2.939 1.00 0.00 C ATOM 1316 CD GLU A 80 -13.690 8.704 3.139 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -13.325 9.889 3.006 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -14.861 8.414 3.458 1.00 0.00 O ATOM 0 H GLU A 80 -11.182 6.672 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.734 6.322 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.259 6.813 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.692 8.486 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.159 6.645 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.870 7.731 3.654 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.224 9.219 -0.710 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.888 10.429 -1.145 1.00 0.00 C ATOM 1327 C GLU A 81 -14.759 10.219 -2.372 1.00 0.00 C ATOM 1328 O GLU A 81 -15.797 10.870 -2.508 1.00 0.00 O ATOM 1329 CB GLU A 81 -12.902 11.572 -1.371 1.00 0.00 C ATOM 1330 CG GLU A 81 -11.912 11.360 -2.496 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.008 12.534 -2.664 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -9.986 12.631 -1.965 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -11.325 13.423 -3.466 1.00 0.00 O ATOM 0 H GLU A 81 -12.229 9.181 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.551 10.710 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.467 12.482 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.347 11.739 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.318 10.469 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.451 11.180 -3.426 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.346 9.360 -3.290 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.181 9.095 -4.437 1.00 0.00 C ATOM 1342 C LYS A 82 -16.373 8.202 -4.044 1.00 0.00 C ATOM 1343 O LYS A 82 -17.462 8.315 -4.612 1.00 0.00 O ATOM 1344 CB LYS A 82 -14.375 8.622 -5.678 1.00 0.00 C ATOM 1345 CG LYS A 82 -13.720 7.256 -5.616 1.00 0.00 C ATOM 1346 CD LYS A 82 -14.666 6.165 -6.043 1.00 0.00 C ATOM 1347 CE LYS A 82 -13.959 4.845 -6.117 1.00 0.00 C ATOM 1348 NZ LYS A 82 -14.829 3.815 -6.684 1.00 0.00 N ATOM 0 H LYS A 82 -13.463 8.850 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.616 10.036 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.046 8.633 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.596 9.359 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.839 7.245 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.377 7.063 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.495 6.100 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.094 6.408 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.061 4.943 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.636 4.545 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.451 2.875 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.786 3.912 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.870 3.926 -7.717 1.00 0.00 H new ATOM 1587 N THR B 110 -0.088 11.381 8.588 1.00 0.00 N ATOM 1588 CA THR B 110 -0.720 10.239 9.230 1.00 0.00 C ATOM 1589 C THR B 110 -0.360 8.919 8.522 1.00 0.00 C ATOM 1590 O THR B 110 -0.071 7.927 9.175 1.00 0.00 O ATOM 1591 CB THR B 110 -2.267 10.418 9.384 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.880 9.245 9.938 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.936 10.785 8.064 1.00 0.00 C ATOM 0 HA THR B 110 -0.316 10.185 10.241 1.00 0.00 H new ATOM 0 HB THR B 110 -2.414 11.247 10.077 1.00 0.00 H new ATOM 0 HG1 THR B 110 -3.846 9.390 10.023 1.00 0.00 H new ATOM 0 HG21 THR B 110 -4.009 10.899 8.219 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.521 11.723 7.694 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.757 9.996 7.334 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.318 8.935 7.199 1.00 0.00 N ATOM 1602 CA LEU B 111 0.037 7.745 6.453 1.00 0.00 C ATOM 1603 C LEU B 111 1.522 7.450 6.563 1.00 0.00 C ATOM 1604 O LEU B 111 1.911 6.318 6.852 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.418 7.810 4.982 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.899 7.439 4.666 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.185 6.011 5.071 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.909 8.378 5.324 1.00 0.00 C ATOM 0 H LEU B 111 -0.524 9.753 6.626 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.505 6.916 6.908 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -0.241 8.823 4.620 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.225 7.148 4.402 1.00 0.00 H new ATOM 0 HG LEU B 111 -2.018 7.549 3.588 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.223 5.769 4.843 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.527 5.338 4.521 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.012 5.895 6.141 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.920 8.065 5.064 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.786 8.344 6.406 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -2.743 9.396 4.971 1.00 0.00 H new ATOM 1620 N GLN B 112 2.349 8.478 6.382 1.00 0.00 N ATOM 1621 CA GLN B 112 3.806 8.317 6.474 1.00 0.00 C ATOM 1622 C GLN B 112 4.205 7.794 7.861 1.00 0.00 C ATOM 1623 O GLN B 112 5.066 6.890 7.987 1.00 0.00 O ATOM 1624 CB GLN B 112 4.531 9.630 6.188 1.00 0.00 C ATOM 1625 CG GLN B 112 4.314 10.204 4.794 1.00 0.00 C ATOM 1626 CD GLN B 112 4.901 9.342 3.694 1.00 0.00 C ATOM 1627 OE1 GLN B 112 5.880 8.629 3.909 1.00 0.00 O ATOM 1628 NE2 GLN B 112 4.366 9.439 2.500 1.00 0.00 N ATOM 0 H GLN B 112 2.041 9.428 6.172 1.00 0.00 H new ATOM 0 HA GLN B 112 4.103 7.590 5.718 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.211 10.370 6.921 1.00 0.00 H new ATOM 0 HB3 GLN B 112 5.600 9.476 6.337 1.00 0.00 H new ATOM 0 HG2 GLN B 112 3.245 10.325 4.620 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.759 11.198 4.744 1.00 0.00 H new ATOM 0 HE21 GLN B 112 3.554 10.039 2.352 1.00 0.00 H new ATOM 0 HE22 GLN B 112 4.762 8.915 1.720 1.00 0.00 H new ATOM 1637 N ASP B 113 3.571 8.342 8.895 1.00 0.00 N ATOM 1638 CA ASP B 113 3.797 7.899 10.265 1.00 0.00 C ATOM 1639 C ASP B 113 3.334 6.492 10.479 1.00 0.00 C ATOM 1640 O ASP B 113 4.049 5.714 11.070 1.00 0.00 O ATOM 1641 CB ASP B 113 3.177 8.824 11.319 1.00 0.00 C ATOM 1642 CG ASP B 113 4.046 10.013 11.630 1.00 0.00 C ATOM 1643 OD1 ASP B 113 5.094 9.831 12.301 1.00 0.00 O ATOM 1644 OD2 ASP B 113 3.716 11.145 11.232 1.00 0.00 O ATOM 0 H ASP B 113 2.893 9.099 8.807 1.00 0.00 H new ATOM 0 HA ASP B 113 4.878 7.940 10.401 1.00 0.00 H new ATOM 0 HB2 ASP B 113 2.206 9.171 10.966 1.00 0.00 H new ATOM 0 HB3 ASP B 113 3.000 8.259 12.234 1.00 0.00 H new ATOM 1649 N LEU B 114 2.162 6.160 9.958 1.00 0.00 N ATOM 1650 CA LEU B 114 1.582 4.811 10.078 1.00 0.00 C ATOM 1651 C LEU B 114 2.566 3.769 9.527 1.00 0.00 C ATOM 1652 O LEU B 114 2.896 2.753 10.202 1.00 0.00 O ATOM 1653 CB LEU B 114 0.255 4.766 9.299 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.580 3.489 9.394 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -1.045 3.253 10.815 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.767 3.570 8.454 1.00 0.00 C ATOM 0 H LEU B 114 1.577 6.813 9.437 1.00 0.00 H new ATOM 0 HA LEU B 114 1.391 4.581 11.126 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.363 5.597 9.640 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.477 4.944 8.247 1.00 0.00 H new ATOM 0 HG LEU B 114 0.045 2.646 9.099 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.637 2.339 10.857 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -0.179 3.155 11.470 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.654 4.095 11.143 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.355 2.655 8.530 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.388 4.424 8.725 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.413 3.690 7.430 1.00 0.00 H new ATOM 1668 N LEU B 115 3.063 4.049 8.318 1.00 0.00 N ATOM 1669 CA LEU B 115 4.067 3.225 7.655 1.00 0.00 C ATOM 1670 C LEU B 115 5.274 3.021 8.570 1.00 0.00 C ATOM 1671 O LEU B 115 5.647 1.877 8.879 1.00 0.00 O ATOM 1672 CB LEU B 115 4.555 3.905 6.360 1.00 0.00 C ATOM 1673 CG LEU B 115 3.860 3.573 5.015 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.107 2.140 4.616 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.371 3.875 5.037 1.00 0.00 C ATOM 0 H LEU B 115 2.775 4.861 7.772 1.00 0.00 H new ATOM 0 HA LEU B 115 3.607 2.265 7.420 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.481 4.982 6.509 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.614 3.671 6.247 1.00 0.00 H new ATOM 0 HG LEU B 115 4.307 4.226 4.265 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.608 1.935 3.669 1.00 0.00 H new ATOM 0 HD12 LEU B 115 5.178 1.973 4.505 1.00 0.00 H new ATOM 0 HD13 LEU B 115 3.714 1.475 5.385 1.00 0.00 H new ATOM 0 HD21 LEU B 115 1.935 3.624 4.070 1.00 0.00 H new ATOM 0 HD22 LEU B 115 1.891 3.283 5.817 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.218 4.935 5.240 1.00 0.00 H new ATOM 1687 N THR B 116 5.832 4.146 9.032 1.00 0.00 N ATOM 1688 CA THR B 116 7.038 4.171 9.864 1.00 0.00 C ATOM 1689 C THR B 116 6.802 3.411 11.173 1.00 0.00 C ATOM 1690 O THR B 116 7.633 2.601 11.597 1.00 0.00 O ATOM 1691 CB THR B 116 7.436 5.640 10.220 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.555 6.454 9.022 1.00 0.00 O ATOM 1693 CG2 THR B 116 8.758 5.671 10.978 1.00 0.00 C ATOM 0 H THR B 116 5.454 5.073 8.836 1.00 0.00 H new ATOM 0 HA THR B 116 7.838 3.698 9.294 1.00 0.00 H new ATOM 0 HB THR B 116 6.646 6.049 10.851 1.00 0.00 H new ATOM 0 HG1 THR B 116 6.662 6.720 8.717 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.017 6.703 11.216 1.00 0.00 H new ATOM 0 HG22 THR B 116 8.662 5.099 11.901 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.542 5.234 10.360 1.00 0.00 H new ATOM 1701 N SER B 117 5.645 3.650 11.746 1.00 0.00 N ATOM 1702 CA SER B 117 5.257 3.131 13.031 1.00 0.00 C ATOM 1703 C SER B 117 5.294 1.616 13.050 1.00 0.00 C ATOM 1704 O SER B 117 5.861 1.014 13.958 1.00 0.00 O ATOM 1705 CB SER B 117 3.859 3.653 13.403 1.00 0.00 C ATOM 1706 OG SER B 117 3.424 3.201 14.687 1.00 0.00 O ATOM 0 H SER B 117 4.926 4.231 11.314 1.00 0.00 H new ATOM 0 HA SER B 117 5.973 3.480 13.775 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.868 4.743 13.390 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.143 3.331 12.647 1.00 0.00 H new ATOM 0 HG SER B 117 2.532 3.561 14.876 1.00 0.00 H new ATOM 1712 N ASP B 118 4.696 0.986 12.082 1.00 0.00 N ATOM 1713 CA ASP B 118 4.740 -0.460 12.093 1.00 0.00 C ATOM 1714 C ASP B 118 6.088 -1.017 11.626 1.00 0.00 C ATOM 1715 O ASP B 118 6.728 -1.792 12.335 1.00 0.00 O ATOM 1716 CB ASP B 118 3.601 -1.097 11.322 1.00 0.00 C ATOM 1717 CG ASP B 118 2.241 -0.890 11.931 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.927 -1.538 12.964 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.436 -0.113 11.355 1.00 0.00 O ATOM 0 H ASP B 118 4.193 1.417 11.306 1.00 0.00 H new ATOM 0 HA ASP B 118 4.615 -0.735 13.140 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.596 -0.695 10.309 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.789 -2.168 11.240 1.00 0.00 H new ATOM 1724 N SER B 119 6.544 -0.584 10.468 1.00 0.00 N ATOM 1725 CA SER B 119 7.713 -1.194 9.850 1.00 0.00 C ATOM 1726 C SER B 119 9.060 -0.775 10.469 1.00 0.00 C ATOM 1727 O SER B 119 9.856 -1.633 10.889 1.00 0.00 O ATOM 1728 CB SER B 119 7.711 -0.941 8.341 1.00 0.00 C ATOM 1729 OG SER B 119 7.704 0.447 8.045 1.00 0.00 O ATOM 0 H SER B 119 6.130 0.182 9.936 1.00 0.00 H new ATOM 0 HA SER B 119 7.625 -2.262 10.050 1.00 0.00 H new ATOM 0 HB2 SER B 119 8.589 -1.405 7.892 1.00 0.00 H new ATOM 0 HB3 SER B 119 6.837 -1.414 7.893 1.00 0.00 H new ATOM 0 HG SER B 119 6.800 0.804 8.172 1.00 0.00 H new ATOM 1958 N MET B 141 -13.798 0.295 -5.374 1.00 0.00 N ATOM 1959 CA MET B 141 -12.566 0.660 -6.028 1.00 0.00 C ATOM 1960 C MET B 141 -12.170 -0.413 -7.068 1.00 0.00 C ATOM 1961 O MET B 141 -11.304 -0.178 -7.931 1.00 0.00 O ATOM 1962 CB MET B 141 -11.459 0.775 -4.974 1.00 0.00 C ATOM 1963 CG MET B 141 -10.196 1.411 -5.491 1.00 0.00 C ATOM 1964 SD MET B 141 -8.817 1.306 -4.355 1.00 0.00 S ATOM 1965 CE MET B 141 -7.581 2.208 -5.277 1.00 0.00 C ATOM 0 HA MET B 141 -12.701 1.613 -6.540 1.00 0.00 H new ATOM 0 HB2 MET B 141 -11.831 1.358 -4.131 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.226 -0.220 -4.595 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.918 0.933 -6.430 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.393 2.460 -5.713 1.00 0.00 H new ATOM 0 HE1 MET B 141 -6.588 1.883 -4.968 1.00 0.00 H new ATOM 0 HE2 MET B 141 -7.710 2.017 -6.342 1.00 0.00 H new ATOM 0 HE3 MET B 141 -7.690 3.275 -5.084 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.806 -1.586 -6.988 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.476 -2.711 -7.857 1.00 0.00 C ATOM 1977 C GLU B 142 -12.396 -2.418 -9.352 1.00 0.00 C ATOM 1978 O GLU B 142 -11.677 -3.080 -10.025 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.263 -3.984 -7.589 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.648 -4.887 -6.526 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.380 -6.204 -6.423 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -13.098 -7.126 -7.205 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -14.252 -6.352 -5.550 1.00 0.00 O ATOM 0 H GLU B 142 -13.557 -1.778 -6.324 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.448 -2.898 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.273 -3.715 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.352 -4.545 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.600 -5.070 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -12.671 -4.381 -5.561 1.00 0.00 H new ATOM 1990 N SER B 143 -13.116 -1.440 -9.852 1.00 0.00 N ATOM 1991 CA SER B 143 -13.053 -1.066 -11.266 1.00 0.00 C ATOM 1992 C SER B 143 -11.582 -0.756 -11.707 1.00 0.00 C ATOM 1993 O SER B 143 -10.962 -1.486 -12.571 1.00 0.00 O ATOM 1994 CB SER B 143 -13.949 0.164 -11.437 1.00 0.00 C ATOM 1995 OG SER B 143 -13.703 1.090 -10.366 1.00 0.00 O ATOM 0 H SER B 143 -13.763 -0.876 -9.301 1.00 0.00 H new ATOM 0 HA SER B 143 -13.395 -1.887 -11.896 1.00 0.00 H new ATOM 0 HB2 SER B 143 -13.750 0.641 -12.397 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.997 -0.134 -11.440 1.00 0.00 H new ATOM 0 HG SER B 143 -14.275 1.878 -10.477 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.002 0.240 -11.044 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.637 0.665 -11.295 1.00 0.00 C ATOM 2003 C ILE B 144 -8.669 -0.412 -10.828 1.00 0.00 C ATOM 2004 O ILE B 144 -7.560 -0.538 -11.336 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.311 2.040 -10.616 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -9.574 1.983 -9.096 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.120 3.158 -11.268 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.326 3.271 -8.328 1.00 0.00 C ATOM 0 H ILE B 144 -11.472 0.775 -10.314 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.524 0.810 -12.369 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.252 2.252 -10.761 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.610 1.683 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -8.946 1.201 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -9.883 4.107 -10.786 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.871 3.217 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.184 2.950 -11.156 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.543 3.112 -7.272 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.284 3.569 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.973 4.057 -8.717 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.111 -1.207 -9.876 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.315 -2.308 -9.390 1.00 0.00 C ATOM 2022 C ILE B 145 -8.212 -3.416 -10.409 1.00 0.00 C ATOM 2023 O ILE B 145 -7.160 -3.983 -10.573 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.856 -2.846 -8.064 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.767 -1.776 -6.977 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.240 -4.186 -7.653 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.426 -1.050 -6.923 1.00 0.00 C ATOM 0 H ILE B 145 -10.020 -1.109 -9.424 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.311 -1.921 -9.216 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.912 -3.075 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.558 -1.043 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.955 -2.241 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.669 -4.508 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.450 -4.933 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.162 -4.072 -7.543 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.446 -0.308 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.630 -1.769 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.242 -0.554 -7.876 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.304 -3.710 -11.089 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.320 -4.731 -12.112 1.00 0.00 C ATOM 2041 C ARG B 146 -8.355 -4.355 -13.195 1.00 0.00 C ATOM 2042 O ARG B 146 -7.502 -5.175 -13.586 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.722 -4.945 -12.693 1.00 0.00 C ATOM 2044 CG ARG B 146 -11.750 -5.501 -11.706 1.00 0.00 C ATOM 2045 CD ARG B 146 -11.406 -6.903 -11.234 1.00 0.00 C ATOM 2046 NE ARG B 146 -11.456 -7.867 -12.335 1.00 0.00 N ATOM 2047 CZ ARG B 146 -11.330 -9.188 -12.216 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -11.055 -9.738 -11.043 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -11.480 -9.960 -13.287 1.00 0.00 N ATOM 0 H ARG B 146 -10.202 -3.247 -10.946 1.00 0.00 H new ATOM 0 HA ARG B 146 -9.020 -5.675 -11.657 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.088 -3.994 -13.080 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.648 -5.626 -13.541 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.817 -4.837 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -12.733 -5.511 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -10.410 -6.905 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -12.102 -7.206 -10.452 1.00 0.00 H new ATOM 0 HE ARG B 146 -11.600 -7.495 -13.274 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -10.937 -9.149 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -10.961 -10.751 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -11.690 -9.540 -14.193 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -11.385 -10.972 -13.203 1.00 0.00 H new ATOM 2063 N SER B 147 -8.433 -3.098 -13.645 1.00 0.00 N ATOM 2064 CA SER B 147 -7.500 -2.641 -14.661 1.00 0.00 C ATOM 2065 C SER B 147 -6.033 -2.739 -14.178 1.00 0.00 C ATOM 2066 O SER B 147 -5.153 -3.147 -14.936 1.00 0.00 O ATOM 2067 CB SER B 147 -7.883 -1.253 -15.175 1.00 0.00 C ATOM 2068 OG SER B 147 -8.283 -0.400 -14.115 1.00 0.00 O ATOM 0 H SER B 147 -9.111 -2.404 -13.330 1.00 0.00 H new ATOM 0 HA SER B 147 -7.570 -3.313 -15.517 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.036 -0.811 -15.699 1.00 0.00 H new ATOM 0 HB3 SER B 147 -8.694 -1.342 -15.898 1.00 0.00 H new ATOM 0 HG SER B 147 -7.822 -0.664 -13.291 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.802 -2.432 -12.902 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.484 -2.579 -12.311 1.00 0.00 C ATOM 2076 C GLU B 148 -4.038 -4.041 -12.227 1.00 0.00 C ATOM 2077 O GLU B 148 -3.019 -4.400 -12.776 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.402 -1.935 -10.927 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.185 -0.438 -10.933 1.00 0.00 C ATOM 2080 CD GLU B 148 -2.871 -0.067 -11.577 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -1.793 -0.525 -11.088 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -2.883 0.696 -12.562 1.00 0.00 O ATOM 0 H GLU B 148 -6.514 -2.080 -12.262 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.802 -2.055 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.323 -2.152 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.589 -2.403 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.002 0.046 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -4.208 -0.063 -9.910 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.809 -4.884 -11.560 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.410 -6.280 -11.307 1.00 0.00 C ATOM 2091 C LEU B 149 -4.209 -7.086 -12.595 1.00 0.00 C ATOM 2092 O LEU B 149 -3.463 -8.069 -12.611 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.357 -6.990 -10.274 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.856 -7.108 -10.619 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -7.126 -8.203 -11.635 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.671 -7.340 -9.373 1.00 0.00 C ATOM 0 H LEU B 149 -5.721 -4.635 -11.178 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.427 -6.239 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.973 -7.997 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.275 -6.458 -9.326 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.155 -6.162 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -8.194 -8.248 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.583 -7.987 -12.555 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.795 -9.161 -11.234 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.725 -7.420 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.346 -8.263 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.532 -6.505 -8.687 1.00 0.00 H new ATOM 2108 N MET B 150 -4.846 -6.659 -13.675 1.00 0.00 N ATOM 2109 CA MET B 150 -4.679 -7.332 -14.959 1.00 0.00 C ATOM 2110 C MET B 150 -3.463 -6.795 -15.731 1.00 0.00 C ATOM 2111 O MET B 150 -3.092 -7.342 -16.779 1.00 0.00 O ATOM 2112 CB MET B 150 -5.948 -7.235 -15.814 1.00 0.00 C ATOM 2113 CG MET B 150 -7.152 -7.927 -15.197 1.00 0.00 C ATOM 2114 SD MET B 150 -8.635 -7.873 -16.229 1.00 0.00 S ATOM 2115 CE MET B 150 -8.920 -6.105 -16.358 1.00 0.00 C ATOM 0 H MET B 150 -5.478 -5.858 -13.691 1.00 0.00 H new ATOM 0 HA MET B 150 -4.497 -8.385 -14.742 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.187 -6.184 -15.976 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.751 -7.672 -16.793 1.00 0.00 H new ATOM 0 HG2 MET B 150 -6.898 -8.968 -14.997 1.00 0.00 H new ATOM 0 HG3 MET B 150 -7.373 -7.463 -14.236 1.00 0.00 H new ATOM 0 HE1 MET B 150 -9.762 -5.920 -17.025 1.00 0.00 H new ATOM 0 HE2 MET B 150 -9.143 -5.699 -15.371 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.028 -5.621 -16.756 1.00 0.00 H new